USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 813 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 28 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00356) USER MOD Set 1.2: A 31 GLN : amide:sc= 1.19 K(o=1.2,f=-0.018) USER MOD Set 2.1: A 25 SER OG : rot 40:sc= 0.959 USER MOD Set 2.2: A 84 THR OG1 : rot -53:sc= 0.91 USER MOD Single : A 1 SER N :NH3+ -135:sc= -0.0566 (180deg=-3.63!) USER MOD Single : A 1 SER OG : rot 180:sc= 0.149 USER MOD Single : A 3 THR OG1 : rot 17:sc= 0.371 USER MOD Single : A 7 SER OG : rot 180:sc= -0.718 USER MOD Single : A 9 SER OG : rot -45:sc= 0.101 USER MOD Single : A 18 CYS SG : rot 156:sc= 0.434 USER MOD Single : A 19 GLN : amide:sc= -0.399 X(o=-0.4,f=-0.035) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -146:sc= 0.492 (180deg=-0.0972) USER MOD Single : A 33 SER OG : rot -64:sc= 0.118 USER MOD Single : A 35 MET CE :methyl -151:sc= -1.02 (180deg=-4.16!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -140:sc= -0.378 (180deg=-1.94!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot -42:sc= 0.0858 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -4.81! K(o=-4.8!,f=-1.5) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.116 X(o=-0.12,f=0) USER MOD Single : A 54 GLN : amide:sc= -1.12 K(o=-1.1,f=-2.5!) USER MOD Single : A 55 SER OG : rot -35:sc= 0.377 USER MOD Single : A 64 LYS NZ :NH3+ -169:sc= 1.07 (180deg=0.874) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0.54 K(o=0.54,f=-0.058) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.548 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot -75:sc= 0.83 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 HIS : no HD1:sc= -0.0957 X(o=-0.096,f=-0.28) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= -6.2! C(o=-6.2!,f=-8.5!) USER MOD Single : A 105 MET CE :methyl 167:sc= 0 (180deg=-0.244) USER MOD Single : A 107 GLN : amide:sc= -4.19 X(o=-4.2,f=-4.5!) USER MOD Single : A 108 SER OG : rot -85:sc= 1.3 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 2.286 0.723 -1.474 1.00 0.00 N ATOM 2 CA SER A 1 3.043 -0.182 -0.617 1.00 0.00 C ATOM 3 C SER A 1 2.924 -1.622 -1.107 1.00 0.00 C ATOM 4 O SER A 1 2.333 -1.887 -2.155 1.00 0.00 O ATOM 5 CB SER A 1 2.552 -0.080 0.828 1.00 0.00 C ATOM 6 OG SER A 1 1.461 0.818 0.934 1.00 0.00 O ATOM 0 H1 SER A 1 2.860 1.564 -1.684 1.00 0.00 H new ATOM 0 H2 SER A 1 2.044 0.239 -2.362 1.00 0.00 H new ATOM 0 H3 SER A 1 1.413 1.012 -0.988 1.00 0.00 H new ATOM 0 HA SER A 1 4.092 0.111 -0.658 1.00 0.00 H new ATOM 0 HB2 SER A 1 2.252 -1.066 1.184 1.00 0.00 H new ATOM 0 HB3 SER A 1 3.367 0.256 1.469 1.00 0.00 H new ATOM 0 HG SER A 1 1.165 0.864 1.867 1.00 0.00 H new ATOM 12 N LEU A 2 3.489 -2.549 -0.341 1.00 0.00 N ATOM 13 CA LEU A 2 3.446 -3.964 -0.695 1.00 0.00 C ATOM 14 C LEU A 2 2.028 -4.512 -0.579 1.00 0.00 C ATOM 15 O LEU A 2 1.321 -4.237 0.392 1.00 0.00 O ATOM 16 CB LEU A 2 4.390 -4.764 0.204 1.00 0.00 C ATOM 17 CG LEU A 2 5.053 -5.984 -0.435 1.00 0.00 C ATOM 18 CD1 LEU A 2 4.018 -7.055 -0.740 1.00 0.00 C ATOM 19 CD2 LEU A 2 5.798 -5.584 -1.700 1.00 0.00 C ATOM 0 H LEU A 2 3.982 -2.347 0.529 1.00 0.00 H new ATOM 0 HA LEU A 2 3.770 -4.064 -1.731 1.00 0.00 H new ATOM 0 HB2 LEU A 2 5.173 -4.095 0.561 1.00 0.00 H new ATOM 0 HB3 LEU A 2 3.831 -5.096 1.079 1.00 0.00 H new ATOM 0 HG LEU A 2 5.773 -6.395 0.273 1.00 0.00 H new ATOM 0 HD11 LEU A 2 4.508 -7.916 -1.194 1.00 0.00 H new ATOM 0 HD12 LEU A 2 3.529 -7.362 0.184 1.00 0.00 H new ATOM 0 HD13 LEU A 2 3.274 -6.656 -1.429 1.00 0.00 H new ATOM 0 HD21 LEU A 2 6.264 -6.465 -2.142 1.00 0.00 H new ATOM 0 HD22 LEU A 2 5.098 -5.148 -2.412 1.00 0.00 H new ATOM 0 HD23 LEU A 2 6.567 -4.852 -1.453 1.00 0.00 H new ATOM 31 N THR A 3 1.616 -5.292 -1.574 1.00 0.00 N ATOM 32 CA THR A 3 0.283 -5.880 -1.583 1.00 0.00 C ATOM 33 C THR A 3 -0.778 -4.843 -1.235 1.00 0.00 C ATOM 34 O THR A 3 -1.548 -5.021 -0.291 1.00 0.00 O ATOM 35 CB THR A 3 0.181 -7.055 -0.592 1.00 0.00 C ATOM 36 OG1 THR A 3 0.542 -6.620 0.723 1.00 0.00 O ATOM 37 CG2 THR A 3 1.084 -8.202 -1.019 1.00 0.00 C ATOM 0 H THR A 3 2.187 -5.531 -2.384 1.00 0.00 H new ATOM 0 HA THR A 3 0.108 -6.250 -2.593 1.00 0.00 H new ATOM 0 HB THR A 3 -0.850 -7.408 -0.586 1.00 0.00 H new ATOM 0 HG1 THR A 3 0.505 -5.642 0.766 1.00 0.00 H new ATOM 0 HG21 THR A 3 0.995 -9.020 -0.304 1.00 0.00 H new ATOM 0 HG22 THR A 3 0.787 -8.550 -2.008 1.00 0.00 H new ATOM 0 HG23 THR A 3 2.118 -7.859 -1.051 1.00 0.00 H new ATOM 45 N ASP A 4 -0.814 -3.759 -2.003 1.00 0.00 N ATOM 46 CA ASP A 4 -1.783 -2.693 -1.776 1.00 0.00 C ATOM 47 C ASP A 4 -3.157 -3.086 -2.309 1.00 0.00 C ATOM 48 O ASP A 4 -4.150 -3.046 -1.582 1.00 0.00 O ATOM 49 CB ASP A 4 -1.314 -1.399 -2.443 1.00 0.00 C ATOM 50 CG ASP A 4 -2.351 -0.296 -2.358 1.00 0.00 C ATOM 51 OD1 ASP A 4 -2.573 0.226 -1.244 1.00 0.00 O ATOM 52 OD2 ASP A 4 -2.939 0.047 -3.404 1.00 0.00 O ATOM 0 H ASP A 4 -0.183 -3.596 -2.788 1.00 0.00 H new ATOM 0 HA ASP A 4 -1.863 -2.530 -0.701 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -0.391 -1.063 -1.970 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -1.082 -1.596 -3.490 1.00 0.00 H new ATOM 57 N ILE A 5 -3.207 -3.463 -3.582 1.00 0.00 N ATOM 58 CA ILE A 5 -4.460 -3.863 -4.211 1.00 0.00 C ATOM 59 C ILE A 5 -4.812 -5.306 -3.867 1.00 0.00 C ATOM 60 O ILE A 5 -5.982 -5.691 -3.882 1.00 0.00 O ATOM 61 CB ILE A 5 -4.392 -3.715 -5.743 1.00 0.00 C ATOM 62 CG1 ILE A 5 -5.775 -3.380 -6.306 1.00 0.00 C ATOM 63 CG2 ILE A 5 -3.851 -4.988 -6.375 1.00 0.00 C ATOM 64 CD1 ILE A 5 -6.044 -1.895 -6.405 1.00 0.00 C ATOM 0 H ILE A 5 -2.395 -3.500 -4.198 1.00 0.00 H new ATOM 0 HA ILE A 5 -5.234 -3.200 -3.823 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.714 -2.897 -5.985 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -5.873 -3.825 -7.296 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -6.536 -3.837 -5.674 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -3.809 -4.867 -7.458 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -2.850 -5.187 -5.993 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -4.506 -5.824 -6.128 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -7.042 -1.732 -6.812 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.979 -1.447 -5.414 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -5.305 -1.434 -7.061 1.00 0.00 H new ATOM 76 N LEU A 6 -3.794 -6.099 -3.554 1.00 0.00 N ATOM 77 CA LEU A 6 -3.996 -7.501 -3.203 1.00 0.00 C ATOM 78 C LEU A 6 -3.584 -7.765 -1.758 1.00 0.00 C ATOM 79 O LEU A 6 -3.237 -6.841 -1.022 1.00 0.00 O ATOM 80 CB LEU A 6 -3.199 -8.403 -4.146 1.00 0.00 C ATOM 81 CG LEU A 6 -4.022 -9.296 -5.076 1.00 0.00 C ATOM 82 CD1 LEU A 6 -4.520 -8.502 -6.273 1.00 0.00 C ATOM 83 CD2 LEU A 6 -3.200 -10.492 -5.532 1.00 0.00 C ATOM 0 H LEU A 6 -2.820 -5.796 -3.536 1.00 0.00 H new ATOM 0 HA LEU A 6 -5.057 -7.727 -3.306 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -2.552 -7.774 -4.758 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.549 -9.039 -3.545 1.00 0.00 H new ATOM 0 HG LEU A 6 -4.887 -9.664 -4.524 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.104 -9.153 -6.924 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -5.145 -7.678 -5.929 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.669 -8.105 -6.826 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -3.801 -11.116 -6.193 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.316 -10.144 -6.067 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.892 -11.074 -4.664 1.00 0.00 H new ATOM 95 N SER A 7 -3.623 -9.032 -1.359 1.00 0.00 N ATOM 96 CA SER A 7 -3.254 -9.418 -0.002 1.00 0.00 C ATOM 97 C SER A 7 -1.909 -10.137 0.012 1.00 0.00 C ATOM 98 O SER A 7 -1.592 -10.933 -0.872 1.00 0.00 O ATOM 99 CB SER A 7 -4.332 -10.318 0.605 1.00 0.00 C ATOM 100 OG SER A 7 -4.194 -10.401 2.013 1.00 0.00 O ATOM 0 H SER A 7 -3.906 -9.809 -1.956 1.00 0.00 H new ATOM 0 HA SER A 7 -3.168 -8.511 0.596 1.00 0.00 H new ATOM 0 HB2 SER A 7 -5.319 -9.928 0.356 1.00 0.00 H new ATOM 0 HB3 SER A 7 -4.265 -11.315 0.170 1.00 0.00 H new ATOM 0 HG SER A 7 -4.896 -10.980 2.377 1.00 0.00 H new ATOM 106 N PRO A 8 -1.097 -9.850 1.041 1.00 0.00 N ATOM 107 CA PRO A 8 0.228 -10.458 1.196 1.00 0.00 C ATOM 108 C PRO A 8 0.149 -11.940 1.546 1.00 0.00 C ATOM 109 O PRO A 8 1.143 -12.661 1.464 1.00 0.00 O ATOM 110 CB PRO A 8 0.847 -9.668 2.353 1.00 0.00 C ATOM 111 CG PRO A 8 -0.318 -9.164 3.133 1.00 0.00 C ATOM 112 CD PRO A 8 -1.410 -8.910 2.130 1.00 0.00 C ATOM 0 HA PRO A 8 0.807 -10.415 0.273 1.00 0.00 H new ATOM 0 HB2 PRO A 8 1.490 -10.301 2.965 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.463 -8.847 1.987 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -0.634 -9.894 3.878 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -0.062 -8.251 3.671 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -2.397 -9.099 2.553 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -1.405 -7.877 1.783 1.00 0.00 H new ATOM 120 N SER A 9 -1.041 -12.388 1.934 1.00 0.00 N ATOM 121 CA SER A 9 -1.249 -13.785 2.299 1.00 0.00 C ATOM 122 C SER A 9 -1.597 -14.621 1.071 1.00 0.00 C ATOM 123 O SER A 9 -2.008 -15.775 1.189 1.00 0.00 O ATOM 124 CB SER A 9 -2.362 -13.901 3.342 1.00 0.00 C ATOM 125 OG SER A 9 -2.274 -15.126 4.048 1.00 0.00 O ATOM 0 H SER A 9 -1.875 -11.805 2.004 1.00 0.00 H new ATOM 0 HA SER A 9 -0.321 -14.166 2.725 1.00 0.00 H new ATOM 0 HB2 SER A 9 -2.296 -13.069 4.043 1.00 0.00 H new ATOM 0 HB3 SER A 9 -3.333 -13.829 2.852 1.00 0.00 H new ATOM 0 HG SER A 9 -2.119 -15.858 3.415 1.00 0.00 H new ATOM 131 N ASP A 10 -1.430 -14.029 -0.106 1.00 0.00 N ATOM 132 CA ASP A 10 -1.725 -14.719 -1.357 1.00 0.00 C ATOM 133 C ASP A 10 -0.466 -14.870 -2.204 1.00 0.00 C ATOM 134 O ASP A 10 -0.168 -15.956 -2.702 1.00 0.00 O ATOM 135 CB ASP A 10 -2.795 -13.958 -2.143 1.00 0.00 C ATOM 136 CG ASP A 10 -3.967 -13.546 -1.274 1.00 0.00 C ATOM 137 OD1 ASP A 10 -4.164 -14.167 -0.210 1.00 0.00 O ATOM 138 OD2 ASP A 10 -4.688 -12.602 -1.660 1.00 0.00 O ATOM 0 H ASP A 10 -1.092 -13.073 -0.221 1.00 0.00 H new ATOM 0 HA ASP A 10 -2.100 -15.714 -1.116 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -2.349 -13.070 -2.592 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -3.154 -14.583 -2.961 1.00 0.00 H new ATOM 143 N ILE A 11 0.269 -13.775 -2.364 1.00 0.00 N ATOM 144 CA ILE A 11 1.496 -13.786 -3.151 1.00 0.00 C ATOM 145 C ILE A 11 2.524 -14.740 -2.552 1.00 0.00 C ATOM 146 O ILE A 11 3.379 -15.271 -3.260 1.00 0.00 O ATOM 147 CB ILE A 11 2.114 -12.379 -3.251 1.00 0.00 C ATOM 148 CG1 ILE A 11 1.208 -11.457 -4.069 1.00 0.00 C ATOM 149 CG2 ILE A 11 3.501 -12.453 -3.871 1.00 0.00 C ATOM 150 CD1 ILE A 11 0.132 -10.783 -3.246 1.00 0.00 C ATOM 0 H ILE A 11 0.036 -12.868 -1.959 1.00 0.00 H new ATOM 0 HA ILE A 11 1.227 -14.127 -4.151 1.00 0.00 H new ATOM 0 HB ILE A 11 2.208 -11.967 -2.246 1.00 0.00 H new ATOM 0 HG12 ILE A 11 1.819 -10.693 -4.549 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.737 -12.035 -4.864 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.925 -11.451 -3.935 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.143 -13.080 -3.252 1.00 0.00 H new ATOM 0 HG23 ILE A 11 3.430 -12.882 -4.871 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.473 -10.145 -3.890 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -0.503 -11.541 -2.787 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.595 -10.177 -2.467 1.00 0.00 H new ATOM 162 N ALA A 12 2.433 -14.954 -1.244 1.00 0.00 N ATOM 163 CA ALA A 12 3.353 -15.846 -0.550 1.00 0.00 C ATOM 164 C ALA A 12 3.105 -17.300 -0.938 1.00 0.00 C ATOM 165 O ALA A 12 4.039 -18.097 -1.026 1.00 0.00 O ATOM 166 CB ALA A 12 3.223 -15.671 0.956 1.00 0.00 C ATOM 0 H ALA A 12 1.731 -14.522 -0.643 1.00 0.00 H new ATOM 0 HA ALA A 12 4.368 -15.585 -0.849 1.00 0.00 H new ATOM 0 HB1 ALA A 12 3.916 -16.343 1.462 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.457 -14.641 1.224 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.203 -15.903 1.263 1.00 0.00 H new ATOM 172 N ALA A 13 1.841 -17.638 -1.170 1.00 0.00 N ATOM 173 CA ALA A 13 1.471 -18.996 -1.551 1.00 0.00 C ATOM 174 C ALA A 13 2.127 -19.395 -2.868 1.00 0.00 C ATOM 175 O ALA A 13 2.296 -20.580 -3.155 1.00 0.00 O ATOM 176 CB ALA A 13 -0.042 -19.122 -1.653 1.00 0.00 C ATOM 0 H ALA A 13 1.056 -16.990 -1.101 1.00 0.00 H new ATOM 0 HA ALA A 13 1.830 -19.674 -0.777 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.304 -20.141 -1.938 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.492 -18.888 -0.688 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.415 -18.427 -2.406 1.00 0.00 H new ATOM 182 N ALA A 14 2.495 -18.398 -3.666 1.00 0.00 N ATOM 183 CA ALA A 14 3.134 -18.645 -4.953 1.00 0.00 C ATOM 184 C ALA A 14 4.653 -18.568 -4.836 1.00 0.00 C ATOM 185 O ALA A 14 5.370 -19.431 -5.343 1.00 0.00 O ATOM 186 CB ALA A 14 2.632 -17.653 -5.991 1.00 0.00 C ATOM 0 H ALA A 14 2.362 -17.411 -3.444 1.00 0.00 H new ATOM 0 HA ALA A 14 2.871 -19.653 -5.273 1.00 0.00 H new ATOM 0 HB1 ALA A 14 3.118 -17.849 -6.947 1.00 0.00 H new ATOM 0 HB2 ALA A 14 1.553 -17.759 -6.104 1.00 0.00 H new ATOM 0 HB3 ALA A 14 2.865 -16.639 -5.667 1.00 0.00 H new ATOM 192 N LEU A 15 5.137 -17.528 -4.166 1.00 0.00 N ATOM 193 CA LEU A 15 6.572 -17.337 -3.982 1.00 0.00 C ATOM 194 C LEU A 15 7.213 -18.580 -3.373 1.00 0.00 C ATOM 195 O LEU A 15 8.396 -18.846 -3.583 1.00 0.00 O ATOM 196 CB LEU A 15 6.835 -16.123 -3.089 1.00 0.00 C ATOM 197 CG LEU A 15 6.556 -14.756 -3.716 1.00 0.00 C ATOM 198 CD1 LEU A 15 6.946 -13.641 -2.758 1.00 0.00 C ATOM 199 CD2 LEU A 15 7.300 -14.613 -5.035 1.00 0.00 C ATOM 0 H LEU A 15 4.557 -16.804 -3.741 1.00 0.00 H new ATOM 0 HA LEU A 15 7.019 -17.163 -4.961 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.226 -16.219 -2.190 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.878 -16.149 -2.772 1.00 0.00 H new ATOM 0 HG LEU A 15 5.487 -14.679 -3.915 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.741 -12.676 -3.220 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.368 -13.733 -1.838 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.009 -13.714 -2.528 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.090 -13.635 -5.467 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.372 -14.710 -4.861 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.972 -15.392 -5.724 1.00 0.00 H new ATOM 211 N ARG A 16 6.423 -19.338 -2.619 1.00 0.00 N ATOM 212 CA ARG A 16 6.913 -20.553 -1.980 1.00 0.00 C ATOM 213 C ARG A 16 6.659 -21.772 -2.862 1.00 0.00 C ATOM 214 O ARG A 16 7.319 -22.801 -2.721 1.00 0.00 O ATOM 215 CB ARG A 16 6.242 -20.745 -0.619 1.00 0.00 C ATOM 216 CG ARG A 16 6.860 -21.857 0.213 1.00 0.00 C ATOM 217 CD ARG A 16 6.087 -23.158 0.066 1.00 0.00 C ATOM 218 NE ARG A 16 6.939 -24.327 0.272 1.00 0.00 N ATOM 219 CZ ARG A 16 6.552 -25.572 0.019 1.00 0.00 C ATOM 220 NH1 ARG A 16 5.334 -25.809 -0.448 1.00 0.00 N ATOM 221 NH2 ARG A 16 7.385 -26.583 0.232 1.00 0.00 N ATOM 0 H ARG A 16 5.441 -19.132 -2.436 1.00 0.00 H new ATOM 0 HA ARG A 16 7.988 -20.449 -1.835 1.00 0.00 H new ATOM 0 HB2 ARG A 16 6.298 -19.811 -0.061 1.00 0.00 H new ATOM 0 HB3 ARG A 16 5.185 -20.962 -0.772 1.00 0.00 H new ATOM 0 HG2 ARG A 16 7.895 -22.011 -0.094 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.879 -21.560 1.262 1.00 0.00 H new ATOM 0 HD2 ARG A 16 5.267 -23.176 0.784 1.00 0.00 H new ATOM 0 HD3 ARG A 16 5.641 -23.205 -0.928 1.00 0.00 H new ATOM 0 HE ARG A 16 7.883 -24.179 0.630 1.00 0.00 H new ATOM 0 HH11 ARG A 16 4.692 -25.034 -0.614 1.00 0.00 H new ATOM 0 HH12 ARG A 16 5.039 -26.766 -0.641 1.00 0.00 H new ATOM 0 HH21 ARG A 16 8.323 -26.404 0.590 1.00 0.00 H new ATOM 0 HH22 ARG A 16 7.087 -27.539 0.037 1.00 0.00 H new ATOM 235 N ASP A 17 5.697 -21.648 -3.770 1.00 0.00 N ATOM 236 CA ASP A 17 5.356 -22.738 -4.676 1.00 0.00 C ATOM 237 C ASP A 17 6.014 -22.541 -6.038 1.00 0.00 C ATOM 238 O ASP A 17 5.576 -23.111 -7.038 1.00 0.00 O ATOM 239 CB ASP A 17 3.838 -22.838 -4.838 1.00 0.00 C ATOM 240 CG ASP A 17 3.405 -24.165 -5.430 1.00 0.00 C ATOM 241 OD1 ASP A 17 3.895 -25.212 -4.959 1.00 0.00 O ATOM 242 OD2 ASP A 17 2.577 -24.156 -6.365 1.00 0.00 O ATOM 0 H ASP A 17 5.140 -20.803 -3.898 1.00 0.00 H new ATOM 0 HA ASP A 17 5.730 -23.666 -4.244 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.362 -22.704 -3.866 1.00 0.00 H new ATOM 0 HB3 ASP A 17 3.490 -22.027 -5.478 1.00 0.00 H new ATOM 247 N CYS A 18 7.066 -21.730 -6.068 1.00 0.00 N ATOM 248 CA CYS A 18 7.783 -21.456 -7.308 1.00 0.00 C ATOM 249 C CYS A 18 9.274 -21.269 -7.044 1.00 0.00 C ATOM 250 O CYS A 18 9.989 -20.683 -7.856 1.00 0.00 O ATOM 251 CB CYS A 18 7.213 -20.209 -7.987 1.00 0.00 C ATOM 252 SG CYS A 18 7.706 -18.654 -7.207 1.00 0.00 S ATOM 0 H CYS A 18 7.441 -21.251 -5.249 1.00 0.00 H new ATOM 0 HA CYS A 18 7.654 -22.312 -7.970 1.00 0.00 H new ATOM 0 HB2 CYS A 18 7.532 -20.198 -9.029 1.00 0.00 H new ATOM 0 HB3 CYS A 18 6.125 -20.274 -7.988 1.00 0.00 H new ATOM 0 HG CYS A 18 7.624 -17.689 -8.074 1.00 0.00 H new ATOM 258 N GLN A 19 9.734 -21.771 -5.902 1.00 0.00 N ATOM 259 CA GLN A 19 11.139 -21.657 -5.530 1.00 0.00 C ATOM 260 C GLN A 19 12.022 -22.454 -6.485 1.00 0.00 C ATOM 261 O GLN A 19 13.240 -22.280 -6.511 1.00 0.00 O ATOM 262 CB GLN A 19 11.350 -22.144 -4.095 1.00 0.00 C ATOM 263 CG GLN A 19 10.893 -23.575 -3.866 1.00 0.00 C ATOM 264 CD GLN A 19 10.701 -23.898 -2.397 1.00 0.00 C ATOM 265 OE1 GLN A 19 11.304 -24.834 -1.871 1.00 0.00 O ATOM 266 NE2 GLN A 19 9.858 -23.122 -1.725 1.00 0.00 N ATOM 0 H GLN A 19 9.155 -22.260 -5.219 1.00 0.00 H new ATOM 0 HA GLN A 19 11.421 -20.606 -5.595 1.00 0.00 H new ATOM 0 HB2 GLN A 19 12.408 -22.065 -3.845 1.00 0.00 H new ATOM 0 HB3 GLN A 19 10.811 -21.486 -3.414 1.00 0.00 H new ATOM 0 HG2 GLN A 19 9.956 -23.742 -4.396 1.00 0.00 H new ATOM 0 HG3 GLN A 19 11.627 -24.259 -4.292 1.00 0.00 H new ATOM 0 HE21 GLN A 19 9.379 -22.357 -2.201 1.00 0.00 H new ATOM 0 HE22 GLN A 19 9.689 -23.291 -0.733 1.00 0.00 H new ATOM 275 N ALA A 20 11.399 -23.328 -7.268 1.00 0.00 N ATOM 276 CA ALA A 20 12.127 -24.151 -8.225 1.00 0.00 C ATOM 277 C ALA A 20 12.367 -23.395 -9.528 1.00 0.00 C ATOM 278 O ALA A 20 11.661 -22.443 -9.860 1.00 0.00 O ATOM 279 CB ALA A 20 11.371 -25.443 -8.494 1.00 0.00 C ATOM 0 H ALA A 20 10.391 -23.484 -7.258 1.00 0.00 H new ATOM 0 HA ALA A 20 13.097 -24.395 -7.792 1.00 0.00 H new ATOM 0 HB1 ALA A 20 11.927 -26.047 -9.211 1.00 0.00 H new ATOM 0 HB2 ALA A 20 11.256 -25.998 -7.563 1.00 0.00 H new ATOM 0 HB3 ALA A 20 10.387 -25.211 -8.901 1.00 0.00 H new ATOM 285 N PRO A 21 13.387 -23.827 -10.284 1.00 0.00 N ATOM 286 CA PRO A 21 13.743 -23.205 -11.563 1.00 0.00 C ATOM 287 C PRO A 21 12.702 -23.466 -12.645 1.00 0.00 C ATOM 288 O PRO A 21 12.126 -24.552 -12.716 1.00 0.00 O ATOM 289 CB PRO A 21 15.071 -23.874 -11.926 1.00 0.00 C ATOM 290 CG PRO A 21 15.037 -25.188 -11.223 1.00 0.00 C ATOM 291 CD PRO A 21 14.271 -24.957 -9.950 1.00 0.00 C ATOM 0 HA PRO A 21 13.804 -22.120 -11.484 1.00 0.00 H new ATOM 0 HB2 PRO A 21 15.167 -24.004 -13.004 1.00 0.00 H new ATOM 0 HB3 PRO A 21 15.920 -23.272 -11.600 1.00 0.00 H new ATOM 0 HG2 PRO A 21 14.553 -25.947 -11.838 1.00 0.00 H new ATOM 0 HG3 PRO A 21 16.045 -25.544 -11.012 1.00 0.00 H new ATOM 0 HD2 PRO A 21 13.702 -25.840 -9.658 1.00 0.00 H new ATOM 0 HD3 PRO A 21 14.935 -24.716 -9.120 1.00 0.00 H new ATOM 299 N ASP A 22 12.465 -22.466 -13.486 1.00 0.00 N ATOM 300 CA ASP A 22 11.493 -22.588 -14.566 1.00 0.00 C ATOM 301 C ASP A 22 10.122 -22.980 -14.023 1.00 0.00 C ATOM 302 O ASP A 22 9.307 -23.570 -14.732 1.00 0.00 O ATOM 303 CB ASP A 22 11.964 -23.623 -15.590 1.00 0.00 C ATOM 304 CG ASP A 22 11.218 -23.518 -16.905 1.00 0.00 C ATOM 305 OD1 ASP A 22 10.826 -22.391 -17.276 1.00 0.00 O ATOM 306 OD2 ASP A 22 11.024 -24.561 -17.563 1.00 0.00 O ATOM 0 H ASP A 22 12.933 -21.561 -13.441 1.00 0.00 H new ATOM 0 HA ASP A 22 11.406 -21.617 -15.054 1.00 0.00 H new ATOM 0 HB2 ASP A 22 13.031 -23.492 -15.770 1.00 0.00 H new ATOM 0 HB3 ASP A 22 11.830 -24.624 -15.179 1.00 0.00 H new ATOM 311 N SER A 23 9.876 -22.649 -12.759 1.00 0.00 N ATOM 312 CA SER A 23 8.606 -22.970 -12.118 1.00 0.00 C ATOM 313 C SER A 23 7.793 -21.706 -11.859 1.00 0.00 C ATOM 314 O SER A 23 6.572 -21.759 -11.708 1.00 0.00 O ATOM 315 CB SER A 23 8.848 -23.713 -10.803 1.00 0.00 C ATOM 316 OG SER A 23 7.668 -24.359 -10.357 1.00 0.00 O ATOM 0 H SER A 23 10.539 -22.159 -12.159 1.00 0.00 H new ATOM 0 HA SER A 23 8.040 -23.613 -12.792 1.00 0.00 H new ATOM 0 HB2 SER A 23 9.640 -24.449 -10.938 1.00 0.00 H new ATOM 0 HB3 SER A 23 9.191 -23.011 -10.043 1.00 0.00 H new ATOM 0 HG SER A 23 7.850 -24.828 -9.516 1.00 0.00 H new ATOM 322 N PHE A 24 8.479 -20.569 -11.810 1.00 0.00 N ATOM 323 CA PHE A 24 7.822 -19.289 -11.568 1.00 0.00 C ATOM 324 C PHE A 24 7.518 -18.577 -12.883 1.00 0.00 C ATOM 325 O PHE A 24 8.296 -18.647 -13.834 1.00 0.00 O ATOM 326 CB PHE A 24 8.699 -18.400 -10.684 1.00 0.00 C ATOM 327 CG PHE A 24 8.084 -17.065 -10.379 1.00 0.00 C ATOM 328 CD1 PHE A 24 6.759 -16.971 -9.986 1.00 0.00 C ATOM 329 CD2 PHE A 24 8.831 -15.902 -10.487 1.00 0.00 C ATOM 330 CE1 PHE A 24 6.190 -15.743 -9.704 1.00 0.00 C ATOM 331 CE2 PHE A 24 8.267 -14.672 -10.206 1.00 0.00 C ATOM 332 CZ PHE A 24 6.945 -14.592 -9.816 1.00 0.00 C ATOM 0 H PHE A 24 9.489 -20.507 -11.935 1.00 0.00 H new ATOM 0 HA PHE A 24 6.881 -19.484 -11.054 1.00 0.00 H new ATOM 0 HB2 PHE A 24 8.902 -18.920 -9.748 1.00 0.00 H new ATOM 0 HB3 PHE A 24 9.659 -18.245 -11.177 1.00 0.00 H new ATOM 0 HD1 PHE A 24 6.163 -17.868 -9.899 1.00 0.00 H new ATOM 0 HD2 PHE A 24 9.865 -15.958 -10.794 1.00 0.00 H new ATOM 0 HE1 PHE A 24 5.156 -15.684 -9.397 1.00 0.00 H new ATOM 0 HE2 PHE A 24 8.860 -13.774 -10.291 1.00 0.00 H new ATOM 0 HZ PHE A 24 6.502 -13.631 -9.599 1.00 0.00 H new ATOM 342 N SER A 25 6.380 -17.892 -12.928 1.00 0.00 N ATOM 343 CA SER A 25 5.970 -17.170 -14.127 1.00 0.00 C ATOM 344 C SER A 25 4.823 -16.212 -13.819 1.00 0.00 C ATOM 345 O SER A 25 4.124 -16.343 -12.814 1.00 0.00 O ATOM 346 CB SER A 25 5.548 -18.153 -15.221 1.00 0.00 C ATOM 347 OG SER A 25 6.648 -18.507 -16.040 1.00 0.00 O ATOM 0 H SER A 25 5.726 -17.822 -12.149 1.00 0.00 H new ATOM 0 HA SER A 25 6.822 -16.588 -14.480 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.126 -19.049 -14.766 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.764 -17.707 -15.833 1.00 0.00 H new ATOM 0 HG SER A 25 7.444 -18.631 -15.483 1.00 0.00 H new ATOM 353 N PRO A 26 4.625 -15.224 -14.704 1.00 0.00 N ATOM 354 CA PRO A 26 3.564 -14.224 -14.549 1.00 0.00 C ATOM 355 C PRO A 26 2.174 -14.817 -14.752 1.00 0.00 C ATOM 356 O PRO A 26 1.219 -14.435 -14.074 1.00 0.00 O ATOM 357 CB PRO A 26 3.875 -13.204 -15.647 1.00 0.00 C ATOM 358 CG PRO A 26 4.629 -13.973 -16.676 1.00 0.00 C ATOM 359 CD PRO A 26 5.420 -15.007 -15.924 1.00 0.00 C ATOM 0 HA PRO A 26 3.548 -13.799 -13.545 1.00 0.00 H new ATOM 0 HB2 PRO A 26 2.961 -12.778 -16.062 1.00 0.00 H new ATOM 0 HB3 PRO A 26 4.467 -12.374 -15.260 1.00 0.00 H new ATOM 0 HG2 PRO A 26 3.950 -14.443 -17.387 1.00 0.00 H new ATOM 0 HG3 PRO A 26 5.287 -13.318 -17.248 1.00 0.00 H new ATOM 0 HD2 PRO A 26 5.531 -15.926 -16.500 1.00 0.00 H new ATOM 0 HD3 PRO A 26 6.425 -14.654 -15.691 1.00 0.00 H new ATOM 367 N LYS A 27 2.066 -15.754 -15.688 1.00 0.00 N ATOM 368 CA LYS A 27 0.793 -16.402 -15.979 1.00 0.00 C ATOM 369 C LYS A 27 0.636 -17.683 -15.166 1.00 0.00 C ATOM 370 O LYS A 27 0.070 -18.667 -15.641 1.00 0.00 O ATOM 371 CB LYS A 27 0.689 -16.718 -17.473 1.00 0.00 C ATOM 372 CG LYS A 27 1.038 -15.543 -18.369 1.00 0.00 C ATOM 373 CD LYS A 27 0.649 -15.808 -19.814 1.00 0.00 C ATOM 374 CE LYS A 27 1.755 -15.398 -20.774 1.00 0.00 C ATOM 375 NZ LYS A 27 1.305 -14.339 -21.719 1.00 0.00 N ATOM 0 H LYS A 27 2.846 -16.082 -16.258 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.007 -15.716 -15.702 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.352 -17.551 -17.706 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -0.326 -17.046 -17.697 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.528 -14.648 -18.012 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.108 -15.345 -18.310 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.428 -16.867 -19.944 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.263 -15.260 -20.053 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.613 -15.038 -20.207 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.088 -16.270 -21.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.771 -14.473 -22.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.274 -14.398 -21.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.555 -13.404 -21.338 1.00 0.00 H new ATOM 389 N LYS A 28 1.140 -17.663 -13.936 1.00 0.00 N ATOM 390 CA LYS A 28 1.053 -18.821 -13.054 1.00 0.00 C ATOM 391 C LYS A 28 0.630 -18.405 -11.649 1.00 0.00 C ATOM 392 O LYS A 28 -0.176 -19.079 -11.008 1.00 0.00 O ATOM 393 CB LYS A 28 2.399 -19.547 -12.999 1.00 0.00 C ATOM 394 CG LYS A 28 2.341 -20.882 -12.277 1.00 0.00 C ATOM 395 CD LYS A 28 1.713 -21.959 -13.146 1.00 0.00 C ATOM 396 CE LYS A 28 1.501 -23.249 -12.369 1.00 0.00 C ATOM 397 NZ LYS A 28 0.328 -23.160 -11.456 1.00 0.00 N ATOM 0 H LYS A 28 1.613 -16.857 -13.528 1.00 0.00 H new ATOM 0 HA LYS A 28 0.298 -19.497 -13.456 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.757 -19.709 -14.016 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.128 -18.906 -12.503 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.348 -21.186 -11.990 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.766 -20.775 -11.357 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.757 -21.605 -13.533 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.353 -22.153 -14.007 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.356 -24.074 -13.067 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.396 -23.475 -11.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.197 -24.070 -10.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.492 -22.412 -10.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.525 -22.936 -12.007 1.00 0.00 H new ATOM 411 N PHE A 29 1.177 -17.289 -11.177 1.00 0.00 N ATOM 412 CA PHE A 29 0.855 -16.783 -9.848 1.00 0.00 C ATOM 413 C PHE A 29 -0.369 -15.874 -9.895 1.00 0.00 C ATOM 414 O PHE A 29 -1.016 -15.631 -8.875 1.00 0.00 O ATOM 415 CB PHE A 29 2.048 -16.021 -9.267 1.00 0.00 C ATOM 416 CG PHE A 29 2.072 -14.567 -9.643 1.00 0.00 C ATOM 417 CD1 PHE A 29 2.416 -14.176 -10.926 1.00 0.00 C ATOM 418 CD2 PHE A 29 1.750 -13.592 -8.712 1.00 0.00 C ATOM 419 CE1 PHE A 29 2.439 -12.838 -11.274 1.00 0.00 C ATOM 420 CE2 PHE A 29 1.772 -12.253 -9.054 1.00 0.00 C ATOM 421 CZ PHE A 29 2.116 -11.876 -10.338 1.00 0.00 C ATOM 0 H PHE A 29 1.845 -16.718 -11.695 1.00 0.00 H new ATOM 0 HA PHE A 29 0.629 -17.635 -9.206 1.00 0.00 H new ATOM 0 HB2 PHE A 29 2.029 -16.107 -8.181 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.970 -16.491 -9.608 1.00 0.00 H new ATOM 0 HD1 PHE A 29 2.669 -14.924 -11.663 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.479 -13.882 -7.708 1.00 0.00 H new ATOM 0 HE1 PHE A 29 2.710 -12.546 -12.278 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.521 -11.503 -8.319 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.132 -10.831 -10.609 1.00 0.00 H new ATOM 431 N PHE A 30 -0.682 -15.372 -11.085 1.00 0.00 N ATOM 432 CA PHE A 30 -1.828 -14.488 -11.265 1.00 0.00 C ATOM 433 C PHE A 30 -3.088 -15.102 -10.663 1.00 0.00 C ATOM 434 O PHE A 30 -3.966 -14.389 -10.176 1.00 0.00 O ATOM 435 CB PHE A 30 -2.047 -14.200 -12.752 1.00 0.00 C ATOM 436 CG PHE A 30 -2.684 -15.339 -13.495 1.00 0.00 C ATOM 437 CD1 PHE A 30 -2.017 -16.543 -13.647 1.00 0.00 C ATOM 438 CD2 PHE A 30 -3.950 -15.204 -14.043 1.00 0.00 C ATOM 439 CE1 PHE A 30 -2.601 -17.594 -14.331 1.00 0.00 C ATOM 440 CE2 PHE A 30 -4.538 -16.251 -14.728 1.00 0.00 C ATOM 441 CZ PHE A 30 -3.862 -17.447 -14.873 1.00 0.00 C ATOM 0 H PHE A 30 -0.158 -15.562 -11.939 1.00 0.00 H new ATOM 0 HA PHE A 30 -1.619 -13.552 -10.747 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.674 -13.314 -12.854 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.088 -13.966 -13.214 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.029 -16.663 -13.227 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -4.483 -14.271 -13.934 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.071 -18.529 -14.441 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -5.525 -16.134 -15.150 1.00 0.00 H new ATOM 0 HZ PHE A 30 -4.319 -18.265 -15.409 1.00 0.00 H new ATOM 451 N GLN A 31 -3.170 -16.428 -10.700 1.00 0.00 N ATOM 452 CA GLN A 31 -4.323 -17.137 -10.160 1.00 0.00 C ATOM 453 C GLN A 31 -4.144 -17.412 -8.670 1.00 0.00 C ATOM 454 O GLN A 31 -5.114 -17.438 -7.913 1.00 0.00 O ATOM 455 CB GLN A 31 -4.538 -18.452 -10.911 1.00 0.00 C ATOM 456 CG GLN A 31 -3.582 -19.557 -10.490 1.00 0.00 C ATOM 457 CD GLN A 31 -3.356 -20.582 -11.584 1.00 0.00 C ATOM 458 OE1 GLN A 31 -4.307 -21.135 -12.138 1.00 0.00 O ATOM 459 NE2 GLN A 31 -2.093 -20.841 -11.901 1.00 0.00 N ATOM 0 H GLN A 31 -2.452 -17.033 -11.098 1.00 0.00 H new ATOM 0 HA GLN A 31 -5.201 -16.504 -10.292 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -5.562 -18.789 -10.751 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -4.425 -18.273 -11.980 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -2.626 -19.117 -10.207 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -3.977 -20.057 -9.605 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -1.336 -20.359 -11.416 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -1.879 -21.522 -12.630 1.00 0.00 H new ATOM 468 N ILE A 32 -2.898 -17.618 -8.257 1.00 0.00 N ATOM 469 CA ILE A 32 -2.592 -17.890 -6.859 1.00 0.00 C ATOM 470 C ILE A 32 -2.804 -16.650 -5.998 1.00 0.00 C ATOM 471 O ILE A 32 -3.641 -16.643 -5.095 1.00 0.00 O ATOM 472 CB ILE A 32 -1.143 -18.381 -6.684 1.00 0.00 C ATOM 473 CG1 ILE A 32 -0.942 -19.714 -7.407 1.00 0.00 C ATOM 474 CG2 ILE A 32 -0.803 -18.517 -5.207 1.00 0.00 C ATOM 475 CD1 ILE A 32 0.475 -19.932 -7.890 1.00 0.00 C ATOM 0 H ILE A 32 -2.084 -17.602 -8.871 1.00 0.00 H new ATOM 0 HA ILE A 32 -3.274 -18.676 -6.535 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.471 -17.645 -7.125 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.218 -20.527 -6.736 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.619 -19.761 -8.260 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.224 -18.865 -5.101 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.911 -17.549 -4.718 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.479 -19.235 -4.743 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.544 -20.897 -8.393 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.748 -19.139 -8.587 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.156 -19.917 -7.039 1.00 0.00 H new ATOM 487 N SER A 33 -2.041 -15.600 -6.285 1.00 0.00 N ATOM 488 CA SER A 33 -2.144 -14.353 -5.536 1.00 0.00 C ATOM 489 C SER A 33 -3.554 -13.777 -5.629 1.00 0.00 C ATOM 490 O SER A 33 -4.161 -13.424 -4.619 1.00 0.00 O ATOM 491 CB SER A 33 -1.130 -13.334 -6.058 1.00 0.00 C ATOM 492 OG SER A 33 -1.416 -12.969 -7.397 1.00 0.00 O ATOM 0 H SER A 33 -1.345 -15.588 -7.031 1.00 0.00 H new ATOM 0 HA SER A 33 -1.927 -14.568 -4.490 1.00 0.00 H new ATOM 0 HB2 SER A 33 -1.143 -12.447 -5.425 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.125 -13.753 -5.999 1.00 0.00 H new ATOM 0 HG SER A 33 -1.319 -13.753 -7.978 1.00 0.00 H new ATOM 498 N GLY A 34 -4.069 -13.686 -6.852 1.00 0.00 N ATOM 499 CA GLY A 34 -5.404 -13.153 -7.057 1.00 0.00 C ATOM 500 C GLY A 34 -5.422 -11.998 -8.038 1.00 0.00 C ATOM 501 O GLY A 34 -6.331 -11.169 -8.014 1.00 0.00 O ATOM 0 H GLY A 34 -3.586 -13.972 -7.704 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -6.057 -13.946 -7.422 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.810 -12.821 -6.102 1.00 0.00 H new ATOM 505 N MET A 35 -4.414 -11.942 -8.902 1.00 0.00 N ATOM 506 CA MET A 35 -4.318 -10.879 -9.896 1.00 0.00 C ATOM 507 C MET A 35 -5.359 -11.067 -10.995 1.00 0.00 C ATOM 508 O MET A 35 -5.717 -10.117 -11.692 1.00 0.00 O ATOM 509 CB MET A 35 -2.916 -10.846 -10.506 1.00 0.00 C ATOM 510 CG MET A 35 -1.865 -10.252 -9.582 1.00 0.00 C ATOM 511 SD MET A 35 -0.648 -9.256 -10.463 1.00 0.00 S ATOM 512 CE MET A 35 -0.248 -10.342 -11.830 1.00 0.00 C ATOM 0 H MET A 35 -3.652 -12.620 -8.934 1.00 0.00 H new ATOM 0 HA MET A 35 -4.511 -9.930 -9.396 1.00 0.00 H new ATOM 0 HB2 MET A 35 -2.621 -11.861 -10.773 1.00 0.00 H new ATOM 0 HB3 MET A 35 -2.944 -10.268 -11.430 1.00 0.00 H new ATOM 0 HG2 MET A 35 -2.356 -9.636 -8.828 1.00 0.00 H new ATOM 0 HG3 MET A 35 -1.355 -11.057 -9.053 1.00 0.00 H new ATOM 0 HE1 MET A 35 0.777 -10.158 -12.153 1.00 0.00 H new ATOM 0 HE2 MET A 35 -0.348 -11.380 -11.512 1.00 0.00 H new ATOM 0 HE3 MET A 35 -0.929 -10.150 -12.659 1.00 0.00 H new ATOM 522 N SER A 36 -5.840 -12.297 -11.145 1.00 0.00 N ATOM 523 CA SER A 36 -6.837 -12.609 -12.162 1.00 0.00 C ATOM 524 C SER A 36 -8.049 -11.691 -12.035 1.00 0.00 C ATOM 525 O SER A 36 -8.686 -11.343 -13.030 1.00 0.00 O ATOM 526 CB SER A 36 -7.275 -14.070 -12.045 1.00 0.00 C ATOM 527 OG SER A 36 -7.744 -14.563 -13.288 1.00 0.00 O ATOM 0 H SER A 36 -5.555 -13.094 -10.575 1.00 0.00 H new ATOM 0 HA SER A 36 -6.384 -12.450 -13.141 1.00 0.00 H new ATOM 0 HB2 SER A 36 -6.438 -14.678 -11.702 1.00 0.00 H new ATOM 0 HB3 SER A 36 -8.061 -14.158 -11.295 1.00 0.00 H new ATOM 0 HG SER A 36 -8.016 -15.499 -13.187 1.00 0.00 H new ATOM 533 N LYS A 37 -8.362 -11.302 -10.804 1.00 0.00 N ATOM 534 CA LYS A 37 -9.497 -10.423 -10.544 1.00 0.00 C ATOM 535 C LYS A 37 -9.276 -9.050 -11.171 1.00 0.00 C ATOM 536 O LYS A 37 -10.230 -8.347 -11.503 1.00 0.00 O ATOM 537 CB LYS A 37 -9.721 -10.278 -9.038 1.00 0.00 C ATOM 538 CG LYS A 37 -10.195 -11.556 -8.367 1.00 0.00 C ATOM 539 CD LYS A 37 -10.621 -11.307 -6.930 1.00 0.00 C ATOM 540 CE LYS A 37 -9.423 -11.042 -6.032 1.00 0.00 C ATOM 541 NZ LYS A 37 -9.832 -10.499 -4.707 1.00 0.00 N ATOM 0 H LYS A 37 -7.846 -11.581 -9.970 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.383 -10.871 -10.995 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.791 -9.956 -8.570 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.455 -9.492 -8.863 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.031 -11.974 -8.928 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.396 -12.297 -8.387 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -11.300 -10.455 -6.893 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.172 -12.171 -6.558 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.865 -11.967 -5.889 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -8.751 -10.337 -6.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -8.987 -10.332 -4.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -10.343 -9.603 -4.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -10.453 -11.183 -4.228 1.00 0.00 H new ATOM 555 N LYS A 38 -8.012 -8.674 -11.330 1.00 0.00 N ATOM 556 CA LYS A 38 -7.664 -7.386 -11.919 1.00 0.00 C ATOM 557 C LYS A 38 -8.325 -7.216 -13.283 1.00 0.00 C ATOM 558 O LYS A 38 -9.034 -8.105 -13.755 1.00 0.00 O ATOM 559 CB LYS A 38 -6.145 -7.258 -12.057 1.00 0.00 C ATOM 560 CG LYS A 38 -5.407 -7.325 -10.731 1.00 0.00 C ATOM 561 CD LYS A 38 -6.047 -6.422 -9.690 1.00 0.00 C ATOM 562 CE LYS A 38 -7.014 -7.192 -8.804 1.00 0.00 C ATOM 563 NZ LYS A 38 -7.026 -6.667 -7.410 1.00 0.00 N ATOM 0 H LYS A 38 -7.210 -9.243 -11.059 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.029 -6.601 -11.257 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -5.779 -8.052 -12.708 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.911 -6.312 -12.546 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.401 -8.353 -10.368 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.367 -7.033 -10.877 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.271 -5.967 -9.074 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.576 -5.609 -10.188 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -8.018 -7.131 -9.224 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.736 -8.246 -8.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -7.080 -7.461 -6.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -6.156 -6.125 -7.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.851 -6.048 -7.279 1.00 0.00 H new ATOM 577 N SER A 39 -8.087 -6.069 -13.912 1.00 0.00 N ATOM 578 CA SER A 39 -8.662 -5.782 -15.221 1.00 0.00 C ATOM 579 C SER A 39 -7.978 -4.578 -15.862 1.00 0.00 C ATOM 580 O SER A 39 -8.637 -3.694 -16.409 1.00 0.00 O ATOM 581 CB SER A 39 -10.164 -5.523 -15.097 1.00 0.00 C ATOM 582 OG SER A 39 -10.838 -5.840 -16.302 1.00 0.00 O ATOM 0 H SER A 39 -7.500 -5.324 -13.536 1.00 0.00 H new ATOM 0 HA SER A 39 -8.503 -6.651 -15.859 1.00 0.00 H new ATOM 0 HB2 SER A 39 -10.573 -6.119 -14.281 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.336 -4.477 -14.845 1.00 0.00 H new ATOM 0 HG SER A 39 -11.797 -5.667 -16.196 1.00 0.00 H new ATOM 588 N SER A 40 -6.651 -4.552 -15.791 1.00 0.00 N ATOM 589 CA SER A 40 -5.876 -3.456 -16.360 1.00 0.00 C ATOM 590 C SER A 40 -6.264 -2.127 -15.720 1.00 0.00 C ATOM 591 O SER A 40 -6.126 -1.067 -16.331 1.00 0.00 O ATOM 592 CB SER A 40 -6.087 -3.387 -17.874 1.00 0.00 C ATOM 593 OG SER A 40 -5.309 -2.352 -18.450 1.00 0.00 O ATOM 0 H SER A 40 -6.090 -5.278 -15.345 1.00 0.00 H new ATOM 0 HA SER A 40 -4.822 -3.644 -16.155 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.819 -4.342 -18.326 1.00 0.00 H new ATOM 0 HB3 SER A 40 -7.142 -3.217 -18.090 1.00 0.00 H new ATOM 0 HG SER A 40 -5.350 -1.556 -17.880 1.00 0.00 H new ATOM 599 N SER A 41 -6.749 -2.192 -14.484 1.00 0.00 N ATOM 600 CA SER A 41 -7.161 -0.994 -13.761 1.00 0.00 C ATOM 601 C SER A 41 -6.482 -0.923 -12.396 1.00 0.00 C ATOM 602 O SER A 41 -6.694 0.020 -11.635 1.00 0.00 O ATOM 603 CB SER A 41 -8.681 -0.975 -13.588 1.00 0.00 C ATOM 604 OG SER A 41 -9.248 0.178 -14.187 1.00 0.00 O ATOM 0 H SER A 41 -6.866 -3.061 -13.963 1.00 0.00 H new ATOM 0 HA SER A 41 -6.858 -0.125 -14.345 1.00 0.00 H new ATOM 0 HB2 SER A 41 -9.112 -1.871 -14.035 1.00 0.00 H new ATOM 0 HB3 SER A 41 -8.930 -0.997 -12.527 1.00 0.00 H new ATOM 0 HG SER A 41 -10.220 0.166 -14.064 1.00 0.00 H new ATOM 610 N GLN A 42 -5.665 -1.928 -12.096 1.00 0.00 N ATOM 611 CA GLN A 42 -4.955 -1.980 -10.824 1.00 0.00 C ATOM 612 C GLN A 42 -3.491 -2.353 -11.032 1.00 0.00 C ATOM 613 O GLN A 42 -2.633 -2.026 -10.211 1.00 0.00 O ATOM 614 CB GLN A 42 -5.621 -2.987 -9.885 1.00 0.00 C ATOM 615 CG GLN A 42 -7.080 -2.673 -9.592 1.00 0.00 C ATOM 616 CD GLN A 42 -8.033 -3.615 -10.301 1.00 0.00 C ATOM 617 OE1 GLN A 42 -9.046 -4.032 -9.738 1.00 0.00 O ATOM 618 NE2 GLN A 42 -7.714 -3.956 -11.544 1.00 0.00 N ATOM 0 H GLN A 42 -5.479 -2.716 -12.716 1.00 0.00 H new ATOM 0 HA GLN A 42 -4.998 -0.989 -10.372 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -5.553 -3.982 -10.325 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -5.068 -3.016 -8.946 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -7.251 -2.730 -8.517 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.295 -1.648 -9.895 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -6.865 -3.587 -11.972 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -8.318 -4.587 -12.071 1.00 0.00 H new ATOM 627 N LEU A 43 -3.212 -3.040 -12.134 1.00 0.00 N ATOM 628 CA LEU A 43 -1.851 -3.459 -12.451 1.00 0.00 C ATOM 629 C LEU A 43 -0.895 -2.271 -12.422 1.00 0.00 C ATOM 630 O LEU A 43 0.303 -2.429 -12.185 1.00 0.00 O ATOM 631 CB LEU A 43 -1.809 -4.129 -13.826 1.00 0.00 C ATOM 632 CG LEU A 43 -2.939 -5.114 -14.127 1.00 0.00 C ATOM 633 CD1 LEU A 43 -2.641 -5.896 -15.397 1.00 0.00 C ATOM 634 CD2 LEU A 43 -3.150 -6.059 -12.953 1.00 0.00 C ATOM 0 H LEU A 43 -3.910 -3.319 -12.823 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.533 -4.176 -11.695 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.820 -3.350 -14.588 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.860 -4.656 -13.923 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.858 -4.548 -14.281 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.456 -6.592 -15.595 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.541 -5.206 -16.235 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.712 -6.452 -15.272 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.958 -6.753 -13.185 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.233 -6.619 -12.767 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.410 -5.483 -12.065 1.00 0.00 H new ATOM 646 N LYS A 44 -1.433 -1.080 -12.664 1.00 0.00 N ATOM 647 CA LYS A 44 -0.630 0.137 -12.662 1.00 0.00 C ATOM 648 C LYS A 44 -0.710 0.841 -11.311 1.00 0.00 C ATOM 649 O LYS A 44 0.150 1.653 -10.973 1.00 0.00 O ATOM 650 CB LYS A 44 -1.098 1.083 -13.771 1.00 0.00 C ATOM 651 CG LYS A 44 -2.513 1.598 -13.573 1.00 0.00 C ATOM 652 CD LYS A 44 -3.503 0.861 -14.459 1.00 0.00 C ATOM 653 CE LYS A 44 -4.569 1.799 -15.004 1.00 0.00 C ATOM 654 NZ LYS A 44 -4.248 2.261 -16.383 1.00 0.00 N ATOM 0 H LYS A 44 -2.422 -0.932 -12.864 1.00 0.00 H new ATOM 0 HA LYS A 44 0.408 -0.142 -12.844 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -0.416 1.931 -13.826 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -1.039 0.565 -14.728 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.801 1.481 -12.528 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.548 2.664 -13.796 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -2.972 0.391 -15.287 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.977 0.061 -13.890 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.533 1.291 -15.006 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.665 2.662 -14.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.998 2.898 -16.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.340 2.768 -16.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.181 1.440 -17.018 1.00 0.00 H new ATOM 668 N GLU A 45 -1.748 0.522 -10.544 1.00 0.00 N ATOM 669 CA GLU A 45 -1.940 1.125 -9.230 1.00 0.00 C ATOM 670 C GLU A 45 -0.757 0.821 -8.315 1.00 0.00 C ATOM 671 O GLU A 45 -0.247 1.706 -7.628 1.00 0.00 O ATOM 672 CB GLU A 45 -3.234 0.615 -8.594 1.00 0.00 C ATOM 673 CG GLU A 45 -4.488 1.245 -9.177 1.00 0.00 C ATOM 674 CD GLU A 45 -4.869 2.537 -8.482 1.00 0.00 C ATOM 675 OE1 GLU A 45 -4.220 3.569 -8.751 1.00 0.00 O ATOM 676 OE2 GLU A 45 -5.817 2.516 -7.669 1.00 0.00 O ATOM 0 H GLU A 45 -2.468 -0.150 -10.810 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.009 2.205 -9.361 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.289 -0.466 -8.719 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.204 0.811 -7.522 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.332 1.440 -10.238 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.314 0.538 -9.100 1.00 0.00 H new ATOM 683 N ILE A 46 -0.326 -0.436 -8.312 1.00 0.00 N ATOM 684 CA ILE A 46 0.796 -0.857 -7.482 1.00 0.00 C ATOM 685 C ILE A 46 2.125 -0.608 -8.188 1.00 0.00 C ATOM 686 O ILE A 46 3.158 -0.428 -7.544 1.00 0.00 O ATOM 687 CB ILE A 46 0.695 -2.349 -7.113 1.00 0.00 C ATOM 688 CG1 ILE A 46 -0.735 -2.697 -6.694 1.00 0.00 C ATOM 689 CG2 ILE A 46 1.676 -2.686 -6.000 1.00 0.00 C ATOM 690 CD1 ILE A 46 -1.575 -3.258 -7.820 1.00 0.00 C ATOM 0 H ILE A 46 -0.737 -1.181 -8.875 1.00 0.00 H new ATOM 0 HA ILE A 46 0.755 -0.262 -6.569 1.00 0.00 H new ATOM 0 HB ILE A 46 0.952 -2.944 -7.990 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.700 -3.422 -5.881 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.218 -1.802 -6.302 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.593 -3.744 -5.750 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.691 -2.470 -6.332 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.447 -2.086 -5.119 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.576 -3.482 -7.451 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.641 -2.526 -8.625 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.115 -4.171 -8.197 1.00 0.00 H new ATOM 702 N PHE A 47 2.090 -0.599 -9.517 1.00 0.00 N ATOM 703 CA PHE A 47 3.291 -0.371 -10.311 1.00 0.00 C ATOM 704 C PHE A 47 4.501 -1.048 -9.674 1.00 0.00 C ATOM 705 O PHE A 47 5.587 -0.472 -9.612 1.00 0.00 O ATOM 706 CB PHE A 47 3.553 1.129 -10.462 1.00 0.00 C ATOM 707 CG PHE A 47 3.552 1.871 -9.156 1.00 0.00 C ATOM 708 CD1 PHE A 47 2.377 2.392 -8.640 1.00 0.00 C ATOM 709 CD2 PHE A 47 4.728 2.049 -8.444 1.00 0.00 C ATOM 710 CE1 PHE A 47 2.373 3.075 -7.438 1.00 0.00 C ATOM 711 CE2 PHE A 47 4.730 2.730 -7.242 1.00 0.00 C ATOM 712 CZ PHE A 47 3.551 3.246 -6.739 1.00 0.00 C ATOM 0 H PHE A 47 1.243 -0.747 -10.066 1.00 0.00 H new ATOM 0 HA PHE A 47 3.131 -0.805 -11.298 1.00 0.00 H new ATOM 0 HB2 PHE A 47 4.515 1.274 -10.953 1.00 0.00 H new ATOM 0 HB3 PHE A 47 2.794 1.559 -11.116 1.00 0.00 H new ATOM 0 HD1 PHE A 47 1.453 2.263 -9.183 1.00 0.00 H new ATOM 0 HD2 PHE A 47 5.653 1.651 -8.833 1.00 0.00 H new ATOM 0 HE1 PHE A 47 1.449 3.474 -7.046 1.00 0.00 H new ATOM 0 HE2 PHE A 47 5.653 2.859 -6.696 1.00 0.00 H new ATOM 0 HZ PHE A 47 3.551 3.782 -5.801 1.00 0.00 H new ATOM 722 N ARG A 48 4.304 -2.275 -9.201 1.00 0.00 N ATOM 723 CA ARG A 48 5.378 -3.030 -8.567 1.00 0.00 C ATOM 724 C ARG A 48 5.290 -4.510 -8.931 1.00 0.00 C ATOM 725 O ARG A 48 5.943 -5.351 -8.313 1.00 0.00 O ATOM 726 CB ARG A 48 5.319 -2.864 -7.047 1.00 0.00 C ATOM 727 CG ARG A 48 5.971 -1.585 -6.549 1.00 0.00 C ATOM 728 CD ARG A 48 5.517 -1.240 -5.139 1.00 0.00 C ATOM 729 NE ARG A 48 4.470 -0.222 -5.135 1.00 0.00 N ATOM 730 CZ ARG A 48 4.220 0.571 -4.099 1.00 0.00 C ATOM 731 NH1 ARG A 48 4.939 0.465 -2.990 1.00 0.00 N ATOM 732 NH2 ARG A 48 3.250 1.473 -4.172 1.00 0.00 N ATOM 0 H ARG A 48 3.411 -2.767 -9.245 1.00 0.00 H new ATOM 0 HA ARG A 48 6.328 -2.639 -8.932 1.00 0.00 H new ATOM 0 HB2 ARG A 48 4.277 -2.878 -6.729 1.00 0.00 H new ATOM 0 HB3 ARG A 48 5.808 -3.718 -6.577 1.00 0.00 H new ATOM 0 HG2 ARG A 48 7.055 -1.698 -6.566 1.00 0.00 H new ATOM 0 HG3 ARG A 48 5.725 -0.764 -7.223 1.00 0.00 H new ATOM 0 HD2 ARG A 48 5.149 -2.140 -4.646 1.00 0.00 H new ATOM 0 HD3 ARG A 48 6.370 -0.885 -4.560 1.00 0.00 H new ATOM 0 HE ARG A 48 3.899 -0.114 -5.974 1.00 0.00 H new ATOM 0 HH11 ARG A 48 5.686 -0.227 -2.931 1.00 0.00 H new ATOM 0 HH12 ARG A 48 4.745 1.075 -2.196 1.00 0.00 H new ATOM 0 HH21 ARG A 48 2.696 1.558 -5.024 1.00 0.00 H new ATOM 0 HH22 ARG A 48 3.059 2.082 -3.376 1.00 0.00 H new ATOM 746 N ILE A 49 4.480 -4.819 -9.937 1.00 0.00 N ATOM 747 CA ILE A 49 4.307 -6.196 -10.384 1.00 0.00 C ATOM 748 C ILE A 49 4.562 -6.324 -11.882 1.00 0.00 C ATOM 749 O ILE A 49 4.557 -7.426 -12.431 1.00 0.00 O ATOM 750 CB ILE A 49 2.893 -6.717 -10.068 1.00 0.00 C ATOM 751 CG1 ILE A 49 1.856 -6.000 -10.936 1.00 0.00 C ATOM 752 CG2 ILE A 49 2.576 -6.530 -8.592 1.00 0.00 C ATOM 753 CD1 ILE A 49 1.567 -4.585 -10.487 1.00 0.00 C ATOM 0 H ILE A 49 3.933 -4.134 -10.459 1.00 0.00 H new ATOM 0 HA ILE A 49 5.036 -6.798 -9.842 1.00 0.00 H new ATOM 0 HB ILE A 49 2.856 -7.782 -10.295 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.208 -5.981 -11.967 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.928 -6.572 -10.927 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.573 -6.903 -8.385 1.00 0.00 H new ATOM 0 HG22 ILE A 49 3.299 -7.082 -7.992 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.628 -5.471 -8.340 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.824 -4.138 -11.147 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.184 -4.598 -9.466 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.484 -3.997 -10.523 1.00 0.00 H new ATOM 765 N LEU A 50 4.786 -5.191 -12.537 1.00 0.00 N ATOM 766 CA LEU A 50 5.046 -5.175 -13.973 1.00 0.00 C ATOM 767 C LEU A 50 6.432 -4.614 -14.270 1.00 0.00 C ATOM 768 O LEU A 50 7.300 -5.317 -14.786 1.00 0.00 O ATOM 769 CB LEU A 50 3.982 -4.346 -14.694 1.00 0.00 C ATOM 770 CG LEU A 50 2.564 -4.433 -14.127 1.00 0.00 C ATOM 771 CD1 LEU A 50 1.721 -3.266 -14.618 1.00 0.00 C ATOM 772 CD2 LEU A 50 1.918 -5.757 -14.506 1.00 0.00 C ATOM 0 H LEU A 50 4.793 -4.271 -12.097 1.00 0.00 H new ATOM 0 HA LEU A 50 5.006 -6.202 -14.336 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.293 -3.302 -14.681 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.954 -4.657 -15.738 1.00 0.00 H new ATOM 0 HG LEU A 50 2.624 -4.380 -13.040 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.715 -3.344 -14.205 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.174 -2.329 -14.295 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.669 -3.288 -15.707 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.910 -5.801 -14.094 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.870 -5.841 -15.592 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.510 -6.579 -14.104 1.00 0.00 H new ATOM 784 N ASP A 51 6.634 -3.343 -13.938 1.00 0.00 N ATOM 785 CA ASP A 51 7.916 -2.688 -14.166 1.00 0.00 C ATOM 786 C ASP A 51 8.400 -1.986 -12.901 1.00 0.00 C ATOM 787 O ASP A 51 7.669 -1.885 -11.917 1.00 0.00 O ATOM 788 CB ASP A 51 7.802 -1.680 -15.311 1.00 0.00 C ATOM 789 CG ASP A 51 9.142 -1.380 -15.954 1.00 0.00 C ATOM 790 OD1 ASP A 51 10.082 -2.178 -15.764 1.00 0.00 O ATOM 791 OD2 ASP A 51 9.249 -0.346 -16.646 1.00 0.00 O ATOM 0 H ASP A 51 5.926 -2.746 -13.510 1.00 0.00 H new ATOM 0 HA ASP A 51 8.644 -3.453 -14.437 1.00 0.00 H new ATOM 0 HB2 ASP A 51 7.119 -2.068 -16.066 1.00 0.00 H new ATOM 0 HB3 ASP A 51 7.368 -0.754 -14.934 1.00 0.00 H new ATOM 796 N ASN A 52 9.638 -1.504 -12.934 1.00 0.00 N ATOM 797 CA ASN A 52 10.221 -0.813 -11.790 1.00 0.00 C ATOM 798 C ASN A 52 10.657 0.599 -12.171 1.00 0.00 C ATOM 799 O ASN A 52 10.270 1.574 -11.527 1.00 0.00 O ATOM 800 CB ASN A 52 11.416 -1.599 -11.247 1.00 0.00 C ATOM 801 CG ASN A 52 12.094 -0.894 -10.089 1.00 0.00 C ATOM 802 OD1 ASN A 52 13.313 -0.722 -10.079 1.00 0.00 O ATOM 803 ND2 ASN A 52 11.305 -0.481 -9.104 1.00 0.00 N ATOM 0 H ASN A 52 10.257 -1.579 -13.741 1.00 0.00 H new ATOM 0 HA ASN A 52 9.459 -0.742 -11.014 1.00 0.00 H new ATOM 0 HB2 ASN A 52 11.082 -2.585 -10.923 1.00 0.00 H new ATOM 0 HB3 ASN A 52 12.139 -1.754 -12.048 1.00 0.00 H new ATOM 0 HD21 ASN A 52 11.705 -0.000 -8.298 1.00 0.00 H new ATOM 0 HD22 ASN A 52 10.299 -0.645 -9.153 1.00 0.00 H new ATOM 810 N ASP A 53 11.463 0.700 -13.221 1.00 0.00 N ATOM 811 CA ASP A 53 11.951 1.992 -13.690 1.00 0.00 C ATOM 812 C ASP A 53 10.802 2.850 -14.211 1.00 0.00 C ATOM 813 O ASP A 53 10.826 4.074 -14.091 1.00 0.00 O ATOM 814 CB ASP A 53 12.998 1.798 -14.788 1.00 0.00 C ATOM 815 CG ASP A 53 13.850 3.034 -14.999 1.00 0.00 C ATOM 816 OD1 ASP A 53 14.121 3.745 -14.009 1.00 0.00 O ATOM 817 OD2 ASP A 53 14.246 3.292 -16.156 1.00 0.00 O ATOM 0 H ASP A 53 11.793 -0.098 -13.764 1.00 0.00 H new ATOM 0 HA ASP A 53 12.412 2.507 -12.847 1.00 0.00 H new ATOM 0 HB2 ASP A 53 13.641 0.957 -14.529 1.00 0.00 H new ATOM 0 HB3 ASP A 53 12.498 1.541 -15.722 1.00 0.00 H new ATOM 822 N GLN A 54 9.799 2.198 -14.790 1.00 0.00 N ATOM 823 CA GLN A 54 8.642 2.902 -15.331 1.00 0.00 C ATOM 824 C GLN A 54 9.078 4.055 -16.228 1.00 0.00 C ATOM 825 O GLN A 54 8.454 5.117 -16.239 1.00 0.00 O ATOM 826 CB GLN A 54 7.762 3.428 -14.196 1.00 0.00 C ATOM 827 CG GLN A 54 6.273 3.320 -14.481 1.00 0.00 C ATOM 828 CD GLN A 54 5.808 1.884 -14.623 1.00 0.00 C ATOM 829 OE1 GLN A 54 6.023 1.249 -15.656 1.00 0.00 O ATOM 830 NE2 GLN A 54 5.167 1.363 -13.583 1.00 0.00 N ATOM 0 H GLN A 54 9.764 1.184 -14.897 1.00 0.00 H new ATOM 0 HA GLN A 54 8.066 2.197 -15.930 1.00 0.00 H new ATOM 0 HB2 GLN A 54 7.990 2.875 -13.285 1.00 0.00 H new ATOM 0 HB3 GLN A 54 8.013 4.472 -14.007 1.00 0.00 H new ATOM 0 HG2 GLN A 54 5.717 3.800 -13.675 1.00 0.00 H new ATOM 0 HG3 GLN A 54 6.042 3.865 -15.396 1.00 0.00 H new ATOM 0 HE21 GLN A 54 5.011 1.925 -12.746 1.00 0.00 H new ATOM 0 HE22 GLN A 54 4.831 0.401 -13.621 1.00 0.00 H new ATOM 839 N SER A 55 10.153 3.841 -16.980 1.00 0.00 N ATOM 840 CA SER A 55 10.674 4.864 -17.878 1.00 0.00 C ATOM 841 C SER A 55 10.158 4.655 -19.299 1.00 0.00 C ATOM 842 O SER A 55 10.364 5.493 -20.176 1.00 0.00 O ATOM 843 CB SER A 55 12.204 4.846 -17.872 1.00 0.00 C ATOM 844 OG SER A 55 12.729 5.851 -18.723 1.00 0.00 O ATOM 0 H SER A 55 10.680 2.968 -16.985 1.00 0.00 H new ATOM 0 HA SER A 55 10.327 5.834 -17.523 1.00 0.00 H new ATOM 0 HB2 SER A 55 12.569 4.998 -16.856 1.00 0.00 H new ATOM 0 HB3 SER A 55 12.561 3.868 -18.196 1.00 0.00 H new ATOM 0 HG SER A 55 12.146 5.956 -19.504 1.00 0.00 H new ATOM 850 N GLY A 56 9.484 3.530 -19.517 1.00 0.00 N ATOM 851 CA GLY A 56 8.948 3.230 -20.832 1.00 0.00 C ATOM 852 C GLY A 56 8.611 1.761 -20.999 1.00 0.00 C ATOM 853 O GLY A 56 7.439 1.382 -20.996 1.00 0.00 O ATOM 0 H GLY A 56 9.300 2.821 -18.807 1.00 0.00 H new ATOM 0 HA2 GLY A 56 8.052 3.827 -21.000 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.673 3.522 -21.592 1.00 0.00 H new ATOM 857 N PHE A 57 9.639 0.933 -21.147 1.00 0.00 N ATOM 858 CA PHE A 57 9.445 -0.503 -21.320 1.00 0.00 C ATOM 859 C PHE A 57 10.200 -1.285 -20.249 1.00 0.00 C ATOM 860 O PHE A 57 11.066 -0.742 -19.562 1.00 0.00 O ATOM 861 CB PHE A 57 9.912 -0.938 -22.710 1.00 0.00 C ATOM 862 CG PHE A 57 9.330 -0.115 -23.823 1.00 0.00 C ATOM 863 CD1 PHE A 57 8.132 -0.478 -24.419 1.00 0.00 C ATOM 864 CD2 PHE A 57 9.979 1.023 -24.274 1.00 0.00 C ATOM 865 CE1 PHE A 57 7.595 0.277 -25.443 1.00 0.00 C ATOM 866 CE2 PHE A 57 9.447 1.783 -25.298 1.00 0.00 C ATOM 867 CZ PHE A 57 8.252 1.410 -25.883 1.00 0.00 C ATOM 0 H PHE A 57 10.615 1.230 -21.151 1.00 0.00 H new ATOM 0 HA PHE A 57 8.381 -0.716 -21.219 1.00 0.00 H new ATOM 0 HB2 PHE A 57 10.999 -0.877 -22.755 1.00 0.00 H new ATOM 0 HB3 PHE A 57 9.644 -1.983 -22.864 1.00 0.00 H new ATOM 0 HD1 PHE A 57 7.613 -1.362 -24.078 1.00 0.00 H new ATOM 0 HD2 PHE A 57 10.913 1.320 -23.819 1.00 0.00 H new ATOM 0 HE1 PHE A 57 6.662 -0.018 -25.900 1.00 0.00 H new ATOM 0 HE2 PHE A 57 9.964 2.667 -25.641 1.00 0.00 H new ATOM 0 HZ PHE A 57 7.832 2.003 -26.682 1.00 0.00 H new ATOM 877 N ILE A 58 9.865 -2.564 -20.113 1.00 0.00 N ATOM 878 CA ILE A 58 10.511 -3.422 -19.127 1.00 0.00 C ATOM 879 C ILE A 58 11.724 -4.128 -19.724 1.00 0.00 C ATOM 880 O ILE A 58 11.839 -4.263 -20.941 1.00 0.00 O ATOM 881 CB ILE A 58 9.536 -4.478 -18.576 1.00 0.00 C ATOM 882 CG1 ILE A 58 8.167 -3.850 -18.307 1.00 0.00 C ATOM 883 CG2 ILE A 58 10.095 -5.105 -17.307 1.00 0.00 C ATOM 884 CD1 ILE A 58 7.120 -4.848 -17.865 1.00 0.00 C ATOM 0 H ILE A 58 9.150 -3.029 -20.673 1.00 0.00 H new ATOM 0 HA ILE A 58 10.835 -2.777 -18.310 1.00 0.00 H new ATOM 0 HB ILE A 58 9.415 -5.262 -19.323 1.00 0.00 H new ATOM 0 HG12 ILE A 58 8.273 -3.083 -17.540 1.00 0.00 H new ATOM 0 HG13 ILE A 58 7.822 -3.350 -19.212 1.00 0.00 H new ATOM 0 HG21 ILE A 58 9.394 -5.850 -16.930 1.00 0.00 H new ATOM 0 HG22 ILE A 58 11.049 -5.584 -17.527 1.00 0.00 H new ATOM 0 HG23 ILE A 58 10.243 -4.331 -16.554 1.00 0.00 H new ATOM 0 HD11 ILE A 58 6.175 -4.332 -17.693 1.00 0.00 H new ATOM 0 HD12 ILE A 58 6.985 -5.602 -18.641 1.00 0.00 H new ATOM 0 HD13 ILE A 58 7.444 -5.330 -16.943 1.00 0.00 H new ATOM 896 N GLU A 59 12.625 -4.578 -18.856 1.00 0.00 N ATOM 897 CA GLU A 59 13.829 -5.271 -19.298 1.00 0.00 C ATOM 898 C GLU A 59 14.206 -6.382 -18.322 1.00 0.00 C ATOM 899 O GLU A 59 13.777 -6.381 -17.169 1.00 0.00 O ATOM 900 CB GLU A 59 14.991 -4.285 -19.438 1.00 0.00 C ATOM 901 CG GLU A 59 16.071 -4.749 -20.400 1.00 0.00 C ATOM 902 CD GLU A 59 15.566 -4.886 -21.823 1.00 0.00 C ATOM 903 OE1 GLU A 59 15.191 -3.857 -22.422 1.00 0.00 O ATOM 904 OE2 GLU A 59 15.545 -6.024 -22.337 1.00 0.00 O ATOM 0 H GLU A 59 12.544 -4.475 -17.844 1.00 0.00 H new ATOM 0 HA GLU A 59 13.623 -5.718 -20.270 1.00 0.00 H new ATOM 0 HB2 GLU A 59 14.603 -3.325 -19.777 1.00 0.00 H new ATOM 0 HB3 GLU A 59 15.437 -4.120 -18.457 1.00 0.00 H new ATOM 0 HG2 GLU A 59 16.899 -4.041 -20.379 1.00 0.00 H new ATOM 0 HG3 GLU A 59 16.464 -5.709 -20.064 1.00 0.00 H new ATOM 911 N GLU A 60 15.010 -7.330 -18.795 1.00 0.00 N ATOM 912 CA GLU A 60 15.443 -8.447 -17.965 1.00 0.00 C ATOM 913 C GLU A 60 16.164 -7.950 -16.715 1.00 0.00 C ATOM 914 O GLU A 60 16.238 -8.652 -15.707 1.00 0.00 O ATOM 915 CB GLU A 60 16.362 -9.377 -18.761 1.00 0.00 C ATOM 916 CG GLU A 60 15.643 -10.161 -19.845 1.00 0.00 C ATOM 917 CD GLU A 60 16.546 -11.164 -20.536 1.00 0.00 C ATOM 918 OE1 GLU A 60 16.873 -12.196 -19.914 1.00 0.00 O ATOM 919 OE2 GLU A 60 16.925 -10.916 -21.700 1.00 0.00 O ATOM 0 H GLU A 60 15.374 -7.346 -19.748 1.00 0.00 H new ATOM 0 HA GLU A 60 14.556 -9.001 -17.656 1.00 0.00 H new ATOM 0 HB2 GLU A 60 17.156 -8.786 -19.218 1.00 0.00 H new ATOM 0 HB3 GLU A 60 16.840 -10.076 -18.075 1.00 0.00 H new ATOM 0 HG2 GLU A 60 14.793 -10.684 -19.407 1.00 0.00 H new ATOM 0 HG3 GLU A 60 15.243 -9.468 -20.585 1.00 0.00 H new ATOM 926 N ASP A 61 16.695 -6.734 -16.790 1.00 0.00 N ATOM 927 CA ASP A 61 17.410 -6.141 -15.666 1.00 0.00 C ATOM 928 C ASP A 61 16.439 -5.714 -14.569 1.00 0.00 C ATOM 929 O ASP A 61 16.854 -5.314 -13.482 1.00 0.00 O ATOM 930 CB ASP A 61 18.232 -4.939 -16.134 1.00 0.00 C ATOM 931 CG ASP A 61 19.460 -4.708 -15.275 1.00 0.00 C ATOM 932 OD1 ASP A 61 20.484 -5.382 -15.512 1.00 0.00 O ATOM 933 OD2 ASP A 61 19.397 -3.855 -14.366 1.00 0.00 O ATOM 0 H ASP A 61 16.644 -6.140 -17.618 1.00 0.00 H new ATOM 0 HA ASP A 61 18.083 -6.894 -15.257 1.00 0.00 H new ATOM 0 HB2 ASP A 61 18.539 -5.093 -17.168 1.00 0.00 H new ATOM 0 HB3 ASP A 61 17.607 -4.046 -16.117 1.00 0.00 H new ATOM 938 N GLU A 62 15.146 -5.801 -14.864 1.00 0.00 N ATOM 939 CA GLU A 62 14.117 -5.421 -13.903 1.00 0.00 C ATOM 940 C GLU A 62 13.202 -6.601 -13.590 1.00 0.00 C ATOM 941 O GLU A 62 12.046 -6.421 -13.205 1.00 0.00 O ATOM 942 CB GLU A 62 13.291 -4.250 -14.442 1.00 0.00 C ATOM 943 CG GLU A 62 13.975 -2.902 -14.289 1.00 0.00 C ATOM 944 CD GLU A 62 14.634 -2.434 -15.572 1.00 0.00 C ATOM 945 OE1 GLU A 62 13.935 -2.357 -16.604 1.00 0.00 O ATOM 946 OE2 GLU A 62 15.849 -2.144 -15.544 1.00 0.00 O ATOM 0 H GLU A 62 14.786 -6.131 -15.760 1.00 0.00 H new ATOM 0 HA GLU A 62 14.613 -5.113 -12.982 1.00 0.00 H new ATOM 0 HB2 GLU A 62 13.077 -4.422 -15.497 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.333 -4.223 -13.923 1.00 0.00 H new ATOM 0 HG2 GLU A 62 13.242 -2.161 -13.970 1.00 0.00 H new ATOM 0 HG3 GLU A 62 14.726 -2.967 -13.502 1.00 0.00 H new ATOM 953 N LEU A 63 13.727 -7.810 -13.759 1.00 0.00 N ATOM 954 CA LEU A 63 12.959 -9.021 -13.496 1.00 0.00 C ATOM 955 C LEU A 63 13.606 -9.847 -12.388 1.00 0.00 C ATOM 956 O LEU A 63 12.918 -10.481 -11.588 1.00 0.00 O ATOM 957 CB LEU A 63 12.840 -9.860 -14.769 1.00 0.00 C ATOM 958 CG LEU A 63 12.353 -9.122 -16.016 1.00 0.00 C ATOM 959 CD1 LEU A 63 12.247 -10.077 -17.195 1.00 0.00 C ATOM 960 CD2 LEU A 63 11.014 -8.450 -15.750 1.00 0.00 C ATOM 0 H LEU A 63 14.682 -7.977 -14.077 1.00 0.00 H new ATOM 0 HA LEU A 63 11.962 -8.725 -13.169 1.00 0.00 H new ATOM 0 HB2 LEU A 63 13.816 -10.295 -14.986 1.00 0.00 H new ATOM 0 HB3 LEU A 63 12.159 -10.688 -14.572 1.00 0.00 H new ATOM 0 HG LEU A 63 13.081 -8.350 -16.265 1.00 0.00 H new ATOM 0 HD11 LEU A 63 11.899 -9.533 -18.073 1.00 0.00 H new ATOM 0 HD12 LEU A 63 13.226 -10.511 -17.401 1.00 0.00 H new ATOM 0 HD13 LEU A 63 11.541 -10.872 -16.957 1.00 0.00 H new ATOM 0 HD21 LEU A 63 10.683 -7.930 -16.649 1.00 0.00 H new ATOM 0 HD22 LEU A 63 10.277 -9.204 -15.475 1.00 0.00 H new ATOM 0 HD23 LEU A 63 11.122 -7.734 -14.935 1.00 0.00 H new ATOM 972 N LYS A 64 14.934 -9.833 -12.346 1.00 0.00 N ATOM 973 CA LYS A 64 15.676 -10.576 -11.335 1.00 0.00 C ATOM 974 C LYS A 64 15.290 -10.120 -9.932 1.00 0.00 C ATOM 975 O LYS A 64 14.805 -10.912 -9.123 1.00 0.00 O ATOM 976 CB LYS A 64 17.182 -10.399 -11.544 1.00 0.00 C ATOM 977 CG LYS A 64 17.647 -10.758 -12.945 1.00 0.00 C ATOM 978 CD LYS A 64 19.008 -10.155 -13.251 1.00 0.00 C ATOM 979 CE LYS A 64 19.441 -10.455 -14.678 1.00 0.00 C ATOM 980 NZ LYS A 64 18.960 -9.418 -15.633 1.00 0.00 N ATOM 0 H LYS A 64 15.519 -9.314 -13.001 1.00 0.00 H new ATOM 0 HA LYS A 64 15.423 -11.631 -11.438 1.00 0.00 H new ATOM 0 HB2 LYS A 64 17.450 -9.363 -11.335 1.00 0.00 H new ATOM 0 HB3 LYS A 64 17.716 -11.018 -10.823 1.00 0.00 H new ATOM 0 HG2 LYS A 64 17.697 -11.842 -13.046 1.00 0.00 H new ATOM 0 HG3 LYS A 64 16.918 -10.403 -13.674 1.00 0.00 H new ATOM 0 HD2 LYS A 64 18.972 -9.076 -13.100 1.00 0.00 H new ATOM 0 HD3 LYS A 64 19.747 -10.550 -12.554 1.00 0.00 H new ATOM 0 HE2 LYS A 64 20.528 -10.514 -14.723 1.00 0.00 H new ATOM 0 HE3 LYS A 64 19.057 -11.430 -14.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 19.110 -9.747 -16.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 17.946 -9.247 -15.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 19.487 -8.535 -15.481 1.00 0.00 H new ATOM 994 N TYR A 65 15.507 -8.840 -9.650 1.00 0.00 N ATOM 995 CA TYR A 65 15.183 -8.280 -8.344 1.00 0.00 C ATOM 996 C TYR A 65 13.680 -8.058 -8.204 1.00 0.00 C ATOM 997 O TYR A 65 13.235 -6.999 -7.761 1.00 0.00 O ATOM 998 CB TYR A 65 15.926 -6.959 -8.133 1.00 0.00 C ATOM 999 CG TYR A 65 17.430 -7.110 -8.095 1.00 0.00 C ATOM 1000 CD1 TYR A 65 18.156 -7.326 -9.259 1.00 0.00 C ATOM 1001 CD2 TYR A 65 18.124 -7.036 -6.894 1.00 0.00 C ATOM 1002 CE1 TYR A 65 19.530 -7.465 -9.229 1.00 0.00 C ATOM 1003 CE2 TYR A 65 19.499 -7.173 -6.854 1.00 0.00 C ATOM 1004 CZ TYR A 65 20.197 -7.387 -8.023 1.00 0.00 C ATOM 1005 OH TYR A 65 21.566 -7.524 -7.989 1.00 0.00 O ATOM 0 H TYR A 65 15.906 -8.171 -10.309 1.00 0.00 H new ATOM 0 HA TYR A 65 15.500 -8.993 -7.583 1.00 0.00 H new ATOM 0 HB2 TYR A 65 15.659 -6.269 -8.934 1.00 0.00 H new ATOM 0 HB3 TYR A 65 15.591 -6.508 -7.199 1.00 0.00 H new ATOM 0 HD1 TYR A 65 17.637 -7.386 -10.204 1.00 0.00 H new ATOM 0 HD2 TYR A 65 17.580 -6.869 -5.976 1.00 0.00 H new ATOM 0 HE1 TYR A 65 20.079 -7.634 -10.144 1.00 0.00 H new ATOM 0 HE2 TYR A 65 20.023 -7.113 -5.912 1.00 0.00 H new ATOM 0 HH TYR A 65 21.880 -7.443 -7.064 1.00 0.00 H new ATOM 1015 N PHE A 66 12.902 -9.066 -8.584 1.00 0.00 N ATOM 1016 CA PHE A 66 11.448 -8.983 -8.502 1.00 0.00 C ATOM 1017 C PHE A 66 10.946 -9.534 -7.171 1.00 0.00 C ATOM 1018 O PHE A 66 10.378 -8.804 -6.358 1.00 0.00 O ATOM 1019 CB PHE A 66 10.807 -9.752 -9.660 1.00 0.00 C ATOM 1020 CG PHE A 66 9.309 -9.643 -9.694 1.00 0.00 C ATOM 1021 CD1 PHE A 66 8.524 -10.439 -8.875 1.00 0.00 C ATOM 1022 CD2 PHE A 66 8.686 -8.744 -10.544 1.00 0.00 C ATOM 1023 CE1 PHE A 66 7.146 -10.341 -8.906 1.00 0.00 C ATOM 1024 CE2 PHE A 66 7.308 -8.641 -10.579 1.00 0.00 C ATOM 1025 CZ PHE A 66 6.537 -9.440 -9.757 1.00 0.00 C ATOM 0 H PHE A 66 13.254 -9.950 -8.952 1.00 0.00 H new ATOM 0 HA PHE A 66 11.164 -7.933 -8.570 1.00 0.00 H new ATOM 0 HB2 PHE A 66 11.212 -9.380 -10.601 1.00 0.00 H new ATOM 0 HB3 PHE A 66 11.086 -10.803 -9.586 1.00 0.00 H new ATOM 0 HD1 PHE A 66 8.994 -11.144 -8.205 1.00 0.00 H new ATOM 0 HD2 PHE A 66 9.284 -8.116 -11.187 1.00 0.00 H new ATOM 0 HE1 PHE A 66 6.545 -10.969 -8.265 1.00 0.00 H new ATOM 0 HE2 PHE A 66 6.835 -7.937 -11.248 1.00 0.00 H new ATOM 0 HZ PHE A 66 5.460 -9.360 -9.780 1.00 0.00 H new ATOM 1035 N LEU A 67 11.160 -10.827 -6.954 1.00 0.00 N ATOM 1036 CA LEU A 67 10.730 -11.478 -5.722 1.00 0.00 C ATOM 1037 C LEU A 67 11.318 -10.777 -4.502 1.00 0.00 C ATOM 1038 O LEU A 67 10.786 -10.885 -3.397 1.00 0.00 O ATOM 1039 CB LEU A 67 11.144 -12.951 -5.728 1.00 0.00 C ATOM 1040 CG LEU A 67 10.877 -13.718 -7.023 1.00 0.00 C ATOM 1041 CD1 LEU A 67 11.316 -15.168 -6.885 1.00 0.00 C ATOM 1042 CD2 LEU A 67 9.405 -13.638 -7.397 1.00 0.00 C ATOM 0 H LEU A 67 11.629 -11.445 -7.616 1.00 0.00 H new ATOM 0 HA LEU A 67 9.643 -11.413 -5.666 1.00 0.00 H new ATOM 0 HB2 LEU A 67 12.210 -13.009 -5.508 1.00 0.00 H new ATOM 0 HB3 LEU A 67 10.623 -13.457 -4.915 1.00 0.00 H new ATOM 0 HG LEU A 67 11.459 -13.258 -7.821 1.00 0.00 H new ATOM 0 HD11 LEU A 67 11.118 -15.698 -7.817 1.00 0.00 H new ATOM 0 HD12 LEU A 67 12.383 -15.206 -6.665 1.00 0.00 H new ATOM 0 HD13 LEU A 67 10.762 -15.640 -6.074 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.234 -14.190 -8.321 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.803 -14.072 -6.599 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.122 -12.595 -7.539 1.00 0.00 H new ATOM 1054 N GLN A 68 12.416 -10.059 -4.711 1.00 0.00 N ATOM 1055 CA GLN A 68 13.075 -9.339 -3.627 1.00 0.00 C ATOM 1056 C GLN A 68 12.113 -8.364 -2.957 1.00 0.00 C ATOM 1057 O GLN A 68 12.344 -7.925 -1.830 1.00 0.00 O ATOM 1058 CB GLN A 68 14.297 -8.586 -4.156 1.00 0.00 C ATOM 1059 CG GLN A 68 15.466 -8.564 -3.185 1.00 0.00 C ATOM 1060 CD GLN A 68 16.774 -8.967 -3.836 1.00 0.00 C ATOM 1061 OE1 GLN A 68 17.775 -8.257 -3.739 1.00 0.00 O ATOM 1062 NE2 GLN A 68 16.773 -10.114 -4.506 1.00 0.00 N ATOM 0 H GLN A 68 12.868 -9.960 -5.620 1.00 0.00 H new ATOM 0 HA GLN A 68 13.399 -10.068 -2.885 1.00 0.00 H new ATOM 0 HB2 GLN A 68 14.620 -9.046 -5.090 1.00 0.00 H new ATOM 0 HB3 GLN A 68 14.009 -7.561 -4.388 1.00 0.00 H new ATOM 0 HG2 GLN A 68 15.567 -7.563 -2.766 1.00 0.00 H new ATOM 0 HG3 GLN A 68 15.256 -9.237 -2.354 1.00 0.00 H new ATOM 0 HE21 GLN A 68 15.921 -10.672 -4.561 1.00 0.00 H new ATOM 0 HE22 GLN A 68 17.625 -10.437 -4.965 1.00 0.00 H new ATOM 1071 N ARG A 69 11.034 -8.030 -3.657 1.00 0.00 N ATOM 1072 CA ARG A 69 10.038 -7.105 -3.130 1.00 0.00 C ATOM 1073 C ARG A 69 9.022 -7.840 -2.260 1.00 0.00 C ATOM 1074 O ARG A 69 9.035 -7.719 -1.035 1.00 0.00 O ATOM 1075 CB ARG A 69 9.320 -6.388 -4.275 1.00 0.00 C ATOM 1076 CG ARG A 69 10.014 -5.111 -4.723 1.00 0.00 C ATOM 1077 CD ARG A 69 9.734 -3.961 -3.768 1.00 0.00 C ATOM 1078 NE ARG A 69 10.704 -3.907 -2.678 1.00 0.00 N ATOM 1079 CZ ARG A 69 10.521 -3.204 -1.566 1.00 0.00 C ATOM 1080 NH1 ARG A 69 9.410 -2.501 -1.397 1.00 0.00 N ATOM 1081 NH2 ARG A 69 11.450 -3.205 -0.618 1.00 0.00 N ATOM 0 H ARG A 69 10.827 -8.386 -4.590 1.00 0.00 H new ATOM 0 HA ARG A 69 10.553 -6.367 -2.515 1.00 0.00 H new ATOM 0 HB2 ARG A 69 9.241 -7.066 -5.125 1.00 0.00 H new ATOM 0 HB3 ARG A 69 8.304 -6.149 -3.962 1.00 0.00 H new ATOM 0 HG2 ARG A 69 11.089 -5.282 -4.784 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.677 -4.844 -5.725 1.00 0.00 H new ATOM 0 HD2 ARG A 69 9.754 -3.020 -4.318 1.00 0.00 H new ATOM 0 HD3 ARG A 69 8.731 -4.068 -3.356 1.00 0.00 H new ATOM 0 HE ARG A 69 11.569 -4.438 -2.776 1.00 0.00 H new ATOM 0 HH11 ARG A 69 8.693 -2.499 -2.122 1.00 0.00 H new ATOM 0 HH12 ARG A 69 9.273 -1.962 -0.542 1.00 0.00 H new ATOM 0 HH21 ARG A 69 12.306 -3.746 -0.743 1.00 0.00 H new ATOM 0 HH22 ARG A 69 11.308 -2.665 0.235 1.00 0.00 H new ATOM 1095 N PHE A 70 8.141 -8.600 -2.902 1.00 0.00 N ATOM 1096 CA PHE A 70 7.117 -9.353 -2.187 1.00 0.00 C ATOM 1097 C PHE A 70 7.739 -10.213 -1.091 1.00 0.00 C ATOM 1098 O PHE A 70 7.580 -9.932 0.097 1.00 0.00 O ATOM 1099 CB PHE A 70 6.331 -10.236 -3.159 1.00 0.00 C ATOM 1100 CG PHE A 70 5.325 -9.479 -3.977 1.00 0.00 C ATOM 1101 CD1 PHE A 70 4.161 -9.000 -3.398 1.00 0.00 C ATOM 1102 CD2 PHE A 70 5.543 -9.246 -5.326 1.00 0.00 C ATOM 1103 CE1 PHE A 70 3.233 -8.302 -4.149 1.00 0.00 C ATOM 1104 CE2 PHE A 70 4.619 -8.549 -6.081 1.00 0.00 C ATOM 1105 CZ PHE A 70 3.462 -8.078 -5.492 1.00 0.00 C ATOM 0 H PHE A 70 8.116 -8.711 -3.916 1.00 0.00 H new ATOM 0 HA PHE A 70 6.436 -8.640 -1.722 1.00 0.00 H new ATOM 0 HB2 PHE A 70 7.030 -10.736 -3.829 1.00 0.00 H new ATOM 0 HB3 PHE A 70 5.817 -11.015 -2.595 1.00 0.00 H new ATOM 0 HD1 PHE A 70 3.976 -9.174 -2.348 1.00 0.00 H new ATOM 0 HD2 PHE A 70 6.445 -9.613 -5.792 1.00 0.00 H new ATOM 0 HE1 PHE A 70 2.330 -7.933 -3.686 1.00 0.00 H new ATOM 0 HE2 PHE A 70 4.801 -8.373 -7.131 1.00 0.00 H new ATOM 0 HZ PHE A 70 2.737 -7.535 -6.081 1.00 0.00 H new ATOM 1115 N GLU A 71 8.448 -11.261 -1.499 1.00 0.00 N ATOM 1116 CA GLU A 71 9.093 -12.162 -0.552 1.00 0.00 C ATOM 1117 C GLU A 71 9.905 -11.380 0.477 1.00 0.00 C ATOM 1118 O GLU A 71 9.961 -11.749 1.650 1.00 0.00 O ATOM 1119 CB GLU A 71 9.999 -13.150 -1.289 1.00 0.00 C ATOM 1120 CG GLU A 71 10.820 -14.032 -0.363 1.00 0.00 C ATOM 1121 CD GLU A 71 11.723 -14.988 -1.117 1.00 0.00 C ATOM 1122 OE1 GLU A 71 11.544 -15.128 -2.345 1.00 0.00 O ATOM 1123 OE2 GLU A 71 12.607 -15.597 -0.479 1.00 0.00 O ATOM 0 H GLU A 71 8.590 -11.507 -2.479 1.00 0.00 H new ATOM 0 HA GLU A 71 8.313 -12.716 -0.029 1.00 0.00 H new ATOM 0 HB2 GLU A 71 9.386 -13.783 -1.930 1.00 0.00 H new ATOM 0 HB3 GLU A 71 10.674 -12.595 -1.940 1.00 0.00 H new ATOM 0 HG2 GLU A 71 11.426 -13.403 0.289 1.00 0.00 H new ATOM 0 HG3 GLU A 71 10.149 -14.602 0.279 1.00 0.00 H new ATOM 1130 N SER A 72 10.533 -10.298 0.028 1.00 0.00 N ATOM 1131 CA SER A 72 11.346 -9.466 0.907 1.00 0.00 C ATOM 1132 C SER A 72 12.523 -10.257 1.469 1.00 0.00 C ATOM 1133 O SER A 72 13.147 -9.851 2.448 1.00 0.00 O ATOM 1134 CB SER A 72 10.494 -8.914 2.052 1.00 0.00 C ATOM 1135 OG SER A 72 11.004 -7.676 2.515 1.00 0.00 O ATOM 0 H SER A 72 10.494 -9.977 -0.939 1.00 0.00 H new ATOM 0 HA SER A 72 11.737 -8.635 0.321 1.00 0.00 H new ATOM 0 HB2 SER A 72 9.466 -8.784 1.715 1.00 0.00 H new ATOM 0 HB3 SER A 72 10.472 -9.632 2.872 1.00 0.00 H new ATOM 0 HG SER A 72 10.442 -7.343 3.245 1.00 0.00 H new ATOM 1141 N GLY A 73 12.819 -11.391 0.841 1.00 0.00 N ATOM 1142 CA GLY A 73 13.920 -12.223 1.292 1.00 0.00 C ATOM 1143 C GLY A 73 14.571 -12.988 0.156 1.00 0.00 C ATOM 1144 O GLY A 73 15.326 -13.931 0.388 1.00 0.00 O ATOM 0 H GLY A 73 12.316 -11.748 0.028 1.00 0.00 H new ATOM 0 HA2 GLY A 73 14.667 -11.598 1.780 1.00 0.00 H new ATOM 0 HA3 GLY A 73 13.556 -12.928 2.039 1.00 0.00 H new ATOM 1148 N ALA A 74 14.277 -12.581 -1.074 1.00 0.00 N ATOM 1149 CA ALA A 74 14.840 -13.235 -2.249 1.00 0.00 C ATOM 1150 C ALA A 74 16.271 -12.773 -2.502 1.00 0.00 C ATOM 1151 O ALA A 74 16.799 -11.931 -1.775 1.00 0.00 O ATOM 1152 CB ALA A 74 13.973 -12.964 -3.470 1.00 0.00 C ATOM 0 H ALA A 74 13.653 -11.802 -1.283 1.00 0.00 H new ATOM 0 HA ALA A 74 14.860 -14.309 -2.062 1.00 0.00 H new ATOM 0 HB1 ALA A 74 14.405 -13.458 -4.340 1.00 0.00 H new ATOM 0 HB2 ALA A 74 12.968 -13.349 -3.296 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.924 -11.890 -3.650 1.00 0.00 H new ATOM 1158 N ARG A 75 16.894 -13.331 -3.535 1.00 0.00 N ATOM 1159 CA ARG A 75 18.265 -12.978 -3.881 1.00 0.00 C ATOM 1160 C ARG A 75 18.388 -12.670 -5.371 1.00 0.00 C ATOM 1161 O ARG A 75 18.739 -11.555 -5.759 1.00 0.00 O ATOM 1162 CB ARG A 75 19.218 -14.113 -3.504 1.00 0.00 C ATOM 1163 CG ARG A 75 18.548 -15.476 -3.445 1.00 0.00 C ATOM 1164 CD ARG A 75 19.536 -16.596 -3.730 1.00 0.00 C ATOM 1165 NE ARG A 75 19.207 -17.816 -2.997 1.00 0.00 N ATOM 1166 CZ ARG A 75 18.151 -18.575 -3.269 1.00 0.00 C ATOM 1167 NH1 ARG A 75 17.327 -18.241 -4.252 1.00 0.00 N ATOM 1168 NH2 ARG A 75 17.919 -19.670 -2.557 1.00 0.00 N ATOM 0 H ARG A 75 16.471 -14.029 -4.147 1.00 0.00 H new ATOM 0 HA ARG A 75 18.536 -12.084 -3.319 1.00 0.00 H new ATOM 0 HB2 ARG A 75 20.032 -14.149 -4.228 1.00 0.00 H new ATOM 0 HB3 ARG A 75 19.664 -13.894 -2.534 1.00 0.00 H new ATOM 0 HG2 ARG A 75 18.105 -15.622 -2.460 1.00 0.00 H new ATOM 0 HG3 ARG A 75 17.734 -15.514 -4.169 1.00 0.00 H new ATOM 0 HD2 ARG A 75 19.546 -16.807 -4.799 1.00 0.00 H new ATOM 0 HD3 ARG A 75 20.541 -16.271 -3.460 1.00 0.00 H new ATOM 0 HE ARG A 75 19.822 -18.101 -2.235 1.00 0.00 H new ATOM 0 HH11 ARG A 75 17.503 -17.400 -4.801 1.00 0.00 H new ATOM 0 HH12 ARG A 75 16.517 -18.825 -4.459 1.00 0.00 H new ATOM 0 HH21 ARG A 75 18.552 -19.930 -1.800 1.00 0.00 H new ATOM 0 HH22 ARG A 75 17.108 -20.252 -2.766 1.00 0.00 H new ATOM 1182 N VAL A 76 18.097 -13.666 -6.201 1.00 0.00 N ATOM 1183 CA VAL A 76 18.173 -13.502 -7.648 1.00 0.00 C ATOM 1184 C VAL A 76 17.435 -14.625 -8.368 1.00 0.00 C ATOM 1185 O VAL A 76 17.258 -15.716 -7.824 1.00 0.00 O ATOM 1186 CB VAL A 76 19.635 -13.470 -8.133 1.00 0.00 C ATOM 1187 CG1 VAL A 76 20.138 -12.037 -8.221 1.00 0.00 C ATOM 1188 CG2 VAL A 76 20.519 -14.299 -7.213 1.00 0.00 C ATOM 0 H VAL A 76 17.806 -14.595 -5.896 1.00 0.00 H new ATOM 0 HA VAL A 76 17.698 -12.550 -7.884 1.00 0.00 H new ATOM 0 HB VAL A 76 19.678 -13.906 -9.131 1.00 0.00 H new ATOM 0 HG11 VAL A 76 21.172 -12.035 -8.565 1.00 0.00 H new ATOM 0 HG12 VAL A 76 19.521 -11.477 -8.924 1.00 0.00 H new ATOM 0 HG13 VAL A 76 20.082 -11.571 -7.237 1.00 0.00 H new ATOM 0 HG21 VAL A 76 21.548 -14.266 -7.570 1.00 0.00 H new ATOM 0 HG22 VAL A 76 20.472 -13.894 -6.202 1.00 0.00 H new ATOM 0 HG23 VAL A 76 20.170 -15.332 -7.207 1.00 0.00 H new ATOM 1198 N LEU A 77 17.006 -14.351 -9.595 1.00 0.00 N ATOM 1199 CA LEU A 77 16.286 -15.339 -10.392 1.00 0.00 C ATOM 1200 C LEU A 77 17.183 -15.917 -11.483 1.00 0.00 C ATOM 1201 O LEU A 77 18.374 -15.612 -11.549 1.00 0.00 O ATOM 1202 CB LEU A 77 15.042 -14.708 -11.020 1.00 0.00 C ATOM 1203 CG LEU A 77 13.901 -14.373 -10.058 1.00 0.00 C ATOM 1204 CD1 LEU A 77 13.057 -13.234 -10.608 1.00 0.00 C ATOM 1205 CD2 LEU A 77 13.041 -15.602 -9.803 1.00 0.00 C ATOM 0 H LEU A 77 17.144 -13.454 -10.060 1.00 0.00 H new ATOM 0 HA LEU A 77 15.980 -16.150 -9.731 1.00 0.00 H new ATOM 0 HB2 LEU A 77 15.342 -13.792 -11.530 1.00 0.00 H new ATOM 0 HB3 LEU A 77 14.660 -15.387 -11.782 1.00 0.00 H new ATOM 0 HG LEU A 77 14.332 -14.053 -9.110 1.00 0.00 H new ATOM 0 HD11 LEU A 77 12.250 -13.009 -9.910 1.00 0.00 H new ATOM 0 HD12 LEU A 77 13.680 -12.349 -10.739 1.00 0.00 H new ATOM 0 HD13 LEU A 77 12.635 -13.526 -11.570 1.00 0.00 H new ATOM 0 HD21 LEU A 77 12.234 -15.345 -9.116 1.00 0.00 H new ATOM 0 HD22 LEU A 77 12.619 -15.952 -10.745 1.00 0.00 H new ATOM 0 HD23 LEU A 77 13.653 -16.390 -9.365 1.00 0.00 H new ATOM 1217 N THR A 78 16.602 -16.751 -12.339 1.00 0.00 N ATOM 1218 CA THR A 78 17.347 -17.371 -13.427 1.00 0.00 C ATOM 1219 C THR A 78 17.012 -16.719 -14.764 1.00 0.00 C ATOM 1220 O THR A 78 15.992 -16.044 -14.898 1.00 0.00 O ATOM 1221 CB THR A 78 17.057 -18.881 -13.518 1.00 0.00 C ATOM 1222 OG1 THR A 78 15.685 -19.096 -13.868 1.00 0.00 O ATOM 1223 CG2 THR A 78 17.363 -19.572 -12.198 1.00 0.00 C ATOM 0 H THR A 78 15.617 -17.013 -12.300 1.00 0.00 H new ATOM 0 HA THR A 78 18.405 -17.225 -13.209 1.00 0.00 H new ATOM 0 HB THR A 78 17.699 -19.306 -14.289 1.00 0.00 H new ATOM 0 HG1 THR A 78 15.509 -20.058 -13.926 1.00 0.00 H new ATOM 0 HG21 THR A 78 17.150 -20.637 -12.287 1.00 0.00 H new ATOM 0 HG22 THR A 78 18.415 -19.432 -11.949 1.00 0.00 H new ATOM 0 HG23 THR A 78 16.743 -19.143 -11.411 1.00 0.00 H new ATOM 1231 N ALA A 79 17.876 -16.927 -15.752 1.00 0.00 N ATOM 1232 CA ALA A 79 17.670 -16.362 -17.079 1.00 0.00 C ATOM 1233 C ALA A 79 16.443 -16.970 -17.750 1.00 0.00 C ATOM 1234 O ALA A 79 15.963 -16.463 -18.764 1.00 0.00 O ATOM 1235 CB ALA A 79 18.905 -16.575 -17.941 1.00 0.00 C ATOM 0 H ALA A 79 18.726 -17.483 -15.658 1.00 0.00 H new ATOM 0 HA ALA A 79 17.498 -15.291 -16.968 1.00 0.00 H new ATOM 0 HB1 ALA A 79 18.737 -16.148 -18.930 1.00 0.00 H new ATOM 0 HB2 ALA A 79 19.762 -16.087 -17.476 1.00 0.00 H new ATOM 0 HB3 ALA A 79 19.103 -17.643 -18.036 1.00 0.00 H new ATOM 1241 N SER A 80 15.940 -18.059 -17.178 1.00 0.00 N ATOM 1242 CA SER A 80 14.771 -18.739 -17.724 1.00 0.00 C ATOM 1243 C SER A 80 13.484 -18.121 -17.188 1.00 0.00 C ATOM 1244 O SER A 80 12.590 -17.762 -17.954 1.00 0.00 O ATOM 1245 CB SER A 80 14.816 -20.229 -17.382 1.00 0.00 C ATOM 1246 OG SER A 80 15.186 -21.001 -18.511 1.00 0.00 O ATOM 0 H SER A 80 16.324 -18.490 -16.337 1.00 0.00 H new ATOM 0 HA SER A 80 14.786 -18.622 -18.808 1.00 0.00 H new ATOM 0 HB2 SER A 80 15.527 -20.398 -16.573 1.00 0.00 H new ATOM 0 HB3 SER A 80 13.840 -20.552 -17.021 1.00 0.00 H new ATOM 0 HG SER A 80 15.209 -21.949 -18.265 1.00 0.00 H new ATOM 1252 N GLU A 81 13.398 -18.000 -15.867 1.00 0.00 N ATOM 1253 CA GLU A 81 12.219 -17.426 -15.228 1.00 0.00 C ATOM 1254 C GLU A 81 11.988 -15.994 -15.700 1.00 0.00 C ATOM 1255 O GLU A 81 10.948 -15.679 -16.280 1.00 0.00 O ATOM 1256 CB GLU A 81 12.373 -17.455 -13.706 1.00 0.00 C ATOM 1257 CG GLU A 81 12.657 -18.839 -13.148 1.00 0.00 C ATOM 1258 CD GLU A 81 11.414 -19.705 -13.075 1.00 0.00 C ATOM 1259 OE1 GLU A 81 10.639 -19.716 -14.053 1.00 0.00 O ATOM 1260 OE2 GLU A 81 11.218 -20.372 -12.037 1.00 0.00 O ATOM 0 H GLU A 81 14.130 -18.291 -15.219 1.00 0.00 H new ATOM 0 HA GLU A 81 11.354 -18.027 -15.510 1.00 0.00 H new ATOM 0 HB2 GLU A 81 13.182 -16.784 -13.419 1.00 0.00 H new ATOM 0 HB3 GLU A 81 11.461 -17.069 -13.250 1.00 0.00 H new ATOM 0 HG2 GLU A 81 13.403 -19.332 -13.772 1.00 0.00 H new ATOM 0 HG3 GLU A 81 13.088 -18.743 -12.151 1.00 0.00 H new ATOM 1267 N THR A 82 12.964 -15.128 -15.446 1.00 0.00 N ATOM 1268 CA THR A 82 12.867 -13.729 -15.842 1.00 0.00 C ATOM 1269 C THR A 82 12.501 -13.599 -17.316 1.00 0.00 C ATOM 1270 O THR A 82 11.601 -12.840 -17.679 1.00 0.00 O ATOM 1271 CB THR A 82 14.189 -12.979 -15.586 1.00 0.00 C ATOM 1272 OG1 THR A 82 15.264 -13.635 -16.267 1.00 0.00 O ATOM 1273 CG2 THR A 82 14.492 -12.911 -14.097 1.00 0.00 C ATOM 0 H THR A 82 13.831 -15.371 -14.967 1.00 0.00 H new ATOM 0 HA THR A 82 12.080 -13.283 -15.234 1.00 0.00 H new ATOM 0 HB THR A 82 14.085 -11.963 -15.967 1.00 0.00 H new ATOM 0 HG1 THR A 82 15.503 -14.455 -15.787 1.00 0.00 H new ATOM 0 HG21 THR A 82 15.429 -12.377 -13.940 1.00 0.00 H new ATOM 0 HG22 THR A 82 13.686 -12.386 -13.585 1.00 0.00 H new ATOM 0 HG23 THR A 82 14.578 -13.921 -13.697 1.00 0.00 H new ATOM 1281 N LYS A 83 13.202 -14.345 -18.163 1.00 0.00 N ATOM 1282 CA LYS A 83 12.949 -14.315 -19.599 1.00 0.00 C ATOM 1283 C LYS A 83 11.455 -14.418 -19.891 1.00 0.00 C ATOM 1284 O LYS A 83 10.921 -13.676 -20.716 1.00 0.00 O ATOM 1285 CB LYS A 83 13.694 -15.458 -20.293 1.00 0.00 C ATOM 1286 CG LYS A 83 13.263 -15.681 -21.732 1.00 0.00 C ATOM 1287 CD LYS A 83 12.555 -17.015 -21.901 1.00 0.00 C ATOM 1288 CE LYS A 83 12.792 -17.599 -23.285 1.00 0.00 C ATOM 1289 NZ LYS A 83 12.078 -18.893 -23.470 1.00 0.00 N ATOM 0 H LYS A 83 13.950 -14.978 -17.880 1.00 0.00 H new ATOM 0 HA LYS A 83 13.313 -13.363 -19.986 1.00 0.00 H new ATOM 0 HB2 LYS A 83 14.764 -15.249 -20.271 1.00 0.00 H new ATOM 0 HB3 LYS A 83 13.537 -16.378 -19.729 1.00 0.00 H new ATOM 0 HG2 LYS A 83 12.600 -14.874 -22.044 1.00 0.00 H new ATOM 0 HG3 LYS A 83 14.136 -15.646 -22.384 1.00 0.00 H new ATOM 0 HD2 LYS A 83 12.909 -17.715 -21.144 1.00 0.00 H new ATOM 0 HD3 LYS A 83 11.485 -16.884 -21.738 1.00 0.00 H new ATOM 0 HE2 LYS A 83 12.458 -16.888 -24.041 1.00 0.00 H new ATOM 0 HE3 LYS A 83 13.861 -17.749 -23.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 12.264 -19.259 -24.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 12.415 -19.579 -22.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 11.056 -18.746 -23.349 1.00 0.00 H new ATOM 1303 N THR A 84 10.785 -15.341 -19.208 1.00 0.00 N ATOM 1304 CA THR A 84 9.354 -15.540 -19.394 1.00 0.00 C ATOM 1305 C THR A 84 8.549 -14.671 -18.434 1.00 0.00 C ATOM 1306 O THR A 84 7.581 -15.131 -17.828 1.00 0.00 O ATOM 1307 CB THR A 84 8.960 -17.014 -19.187 1.00 0.00 C ATOM 1308 OG1 THR A 84 7.560 -17.187 -19.434 1.00 0.00 O ATOM 1309 CG2 THR A 84 9.291 -17.470 -17.774 1.00 0.00 C ATOM 0 H THR A 84 11.211 -15.963 -18.521 1.00 0.00 H new ATOM 0 HA THR A 84 9.126 -15.251 -20.420 1.00 0.00 H new ATOM 0 HB THR A 84 9.530 -17.621 -19.890 1.00 0.00 H new ATOM 0 HG1 THR A 84 7.051 -16.548 -18.893 1.00 0.00 H new ATOM 0 HG21 THR A 84 9.004 -18.514 -17.652 1.00 0.00 H new ATOM 0 HG22 THR A 84 10.362 -17.366 -17.599 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.745 -16.857 -17.057 1.00 0.00 H new ATOM 1317 N PHE A 85 8.954 -13.413 -18.300 1.00 0.00 N ATOM 1318 CA PHE A 85 8.270 -12.479 -17.413 1.00 0.00 C ATOM 1319 C PHE A 85 7.779 -11.257 -18.184 1.00 0.00 C ATOM 1320 O PHE A 85 6.678 -10.760 -17.946 1.00 0.00 O ATOM 1321 CB PHE A 85 9.203 -12.042 -16.281 1.00 0.00 C ATOM 1322 CG PHE A 85 8.495 -11.813 -14.976 1.00 0.00 C ATOM 1323 CD1 PHE A 85 8.181 -12.878 -14.148 1.00 0.00 C ATOM 1324 CD2 PHE A 85 8.145 -10.533 -14.578 1.00 0.00 C ATOM 1325 CE1 PHE A 85 7.530 -12.671 -12.947 1.00 0.00 C ATOM 1326 CE2 PHE A 85 7.494 -10.320 -13.377 1.00 0.00 C ATOM 1327 CZ PHE A 85 7.187 -11.390 -12.561 1.00 0.00 C ATOM 0 H PHE A 85 9.753 -13.016 -18.795 1.00 0.00 H new ATOM 0 HA PHE A 85 7.406 -12.988 -16.986 1.00 0.00 H new ATOM 0 HB2 PHE A 85 9.971 -12.802 -16.140 1.00 0.00 H new ATOM 0 HB3 PHE A 85 9.713 -11.124 -16.575 1.00 0.00 H new ATOM 0 HD1 PHE A 85 8.448 -13.882 -14.444 1.00 0.00 H new ATOM 0 HD2 PHE A 85 8.383 -9.692 -15.213 1.00 0.00 H new ATOM 0 HE1 PHE A 85 7.290 -13.510 -12.311 1.00 0.00 H new ATOM 0 HE2 PHE A 85 7.226 -9.318 -13.078 1.00 0.00 H new ATOM 0 HZ PHE A 85 6.679 -11.226 -11.622 1.00 0.00 H new ATOM 1337 N LEU A 86 8.605 -10.777 -19.107 1.00 0.00 N ATOM 1338 CA LEU A 86 8.256 -9.612 -19.914 1.00 0.00 C ATOM 1339 C LEU A 86 8.251 -9.960 -21.399 1.00 0.00 C ATOM 1340 O LEU A 86 7.622 -9.275 -22.205 1.00 0.00 O ATOM 1341 CB LEU A 86 9.239 -8.471 -19.648 1.00 0.00 C ATOM 1342 CG LEU A 86 10.708 -8.766 -19.953 1.00 0.00 C ATOM 1343 CD1 LEU A 86 10.953 -8.764 -21.454 1.00 0.00 C ATOM 1344 CD2 LEU A 86 11.610 -7.754 -19.262 1.00 0.00 C ATOM 0 H LEU A 86 9.520 -11.176 -19.315 1.00 0.00 H new ATOM 0 HA LEU A 86 7.253 -9.292 -19.632 1.00 0.00 H new ATOM 0 HB2 LEU A 86 8.932 -7.608 -20.239 1.00 0.00 H new ATOM 0 HB3 LEU A 86 9.157 -8.184 -18.600 1.00 0.00 H new ATOM 0 HG LEU A 86 10.947 -9.758 -19.568 1.00 0.00 H new ATOM 0 HD11 LEU A 86 12.004 -8.976 -21.651 1.00 0.00 H new ATOM 0 HD12 LEU A 86 10.334 -9.528 -21.925 1.00 0.00 H new ATOM 0 HD13 LEU A 86 10.697 -7.787 -21.863 1.00 0.00 H new ATOM 0 HD21 LEU A 86 12.652 -7.980 -19.490 1.00 0.00 H new ATOM 0 HD22 LEU A 86 11.370 -6.751 -19.616 1.00 0.00 H new ATOM 0 HD23 LEU A 86 11.455 -7.805 -18.184 1.00 0.00 H new ATOM 1356 N ALA A 87 8.955 -11.030 -21.753 1.00 0.00 N ATOM 1357 CA ALA A 87 9.029 -11.471 -23.140 1.00 0.00 C ATOM 1358 C ALA A 87 7.779 -12.252 -23.535 1.00 0.00 C ATOM 1359 O ALA A 87 7.387 -12.265 -24.701 1.00 0.00 O ATOM 1360 CB ALA A 87 10.274 -12.318 -23.360 1.00 0.00 C ATOM 0 H ALA A 87 9.482 -11.607 -21.098 1.00 0.00 H new ATOM 0 HA ALA A 87 9.089 -10.586 -23.774 1.00 0.00 H new ATOM 0 HB1 ALA A 87 10.316 -12.640 -24.400 1.00 0.00 H new ATOM 0 HB2 ALA A 87 11.161 -11.729 -23.127 1.00 0.00 H new ATOM 0 HB3 ALA A 87 10.238 -13.193 -22.711 1.00 0.00 H new ATOM 1366 N ALA A 88 7.159 -12.902 -22.555 1.00 0.00 N ATOM 1367 CA ALA A 88 5.954 -13.683 -22.800 1.00 0.00 C ATOM 1368 C ALA A 88 4.804 -12.791 -23.254 1.00 0.00 C ATOM 1369 O ALA A 88 3.775 -13.278 -23.722 1.00 0.00 O ATOM 1370 CB ALA A 88 5.563 -14.457 -21.550 1.00 0.00 C ATOM 0 H ALA A 88 7.472 -12.903 -21.584 1.00 0.00 H new ATOM 0 HA ALA A 88 6.167 -14.391 -23.601 1.00 0.00 H new ATOM 0 HB1 ALA A 88 4.661 -15.036 -21.748 1.00 0.00 H new ATOM 0 HB2 ALA A 88 6.373 -15.131 -21.271 1.00 0.00 H new ATOM 0 HB3 ALA A 88 5.375 -13.759 -20.734 1.00 0.00 H new ATOM 1376 N ALA A 89 4.984 -11.482 -23.112 1.00 0.00 N ATOM 1377 CA ALA A 89 3.962 -10.522 -23.508 1.00 0.00 C ATOM 1378 C ALA A 89 3.661 -10.625 -25.000 1.00 0.00 C ATOM 1379 O ALA A 89 2.631 -11.168 -25.399 1.00 0.00 O ATOM 1380 CB ALA A 89 4.398 -9.109 -23.152 1.00 0.00 C ATOM 0 H ALA A 89 5.829 -11.062 -22.725 1.00 0.00 H new ATOM 0 HA ALA A 89 3.048 -10.756 -22.962 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.625 -8.403 -23.454 1.00 0.00 H new ATOM 0 HB2 ALA A 89 4.555 -9.037 -22.076 1.00 0.00 H new ATOM 0 HB3 ALA A 89 5.327 -8.873 -23.671 1.00 0.00 H new ATOM 1386 N ASP A 90 4.566 -10.100 -25.818 1.00 0.00 N ATOM 1387 CA ASP A 90 4.398 -10.133 -27.266 1.00 0.00 C ATOM 1388 C ASP A 90 5.751 -10.155 -27.970 1.00 0.00 C ATOM 1389 O ASP A 90 6.751 -9.677 -27.432 1.00 0.00 O ATOM 1390 CB ASP A 90 3.585 -8.924 -27.734 1.00 0.00 C ATOM 1391 CG ASP A 90 2.848 -9.190 -29.032 1.00 0.00 C ATOM 1392 OD1 ASP A 90 2.156 -10.226 -29.120 1.00 0.00 O ATOM 1393 OD2 ASP A 90 2.961 -8.362 -29.959 1.00 0.00 O ATOM 0 H ASP A 90 5.424 -9.646 -25.503 1.00 0.00 H new ATOM 0 HA ASP A 90 3.860 -11.045 -27.524 1.00 0.00 H new ATOM 0 HB2 ASP A 90 2.867 -8.651 -26.961 1.00 0.00 H new ATOM 0 HB3 ASP A 90 4.251 -8.071 -27.866 1.00 0.00 H new ATOM 1398 N HIS A 91 5.776 -10.714 -29.176 1.00 0.00 N ATOM 1399 CA HIS A 91 7.007 -10.799 -29.954 1.00 0.00 C ATOM 1400 C HIS A 91 7.100 -9.649 -30.952 1.00 0.00 C ATOM 1401 O HIS A 91 7.757 -9.764 -31.987 1.00 0.00 O ATOM 1402 CB HIS A 91 7.079 -12.137 -30.691 1.00 0.00 C ATOM 1403 CG HIS A 91 5.865 -12.430 -31.517 1.00 0.00 C ATOM 1404 ND1 HIS A 91 4.805 -13.184 -31.057 1.00 0.00 N ATOM 1405 CD2 HIS A 91 5.544 -12.066 -32.781 1.00 0.00 C ATOM 1406 CE1 HIS A 91 3.887 -13.272 -32.002 1.00 0.00 C ATOM 1407 NE2 HIS A 91 4.311 -12.602 -33.059 1.00 0.00 N ATOM 0 H HIS A 91 4.958 -11.115 -29.635 1.00 0.00 H new ATOM 0 HA HIS A 91 7.848 -10.727 -29.265 1.00 0.00 H new ATOM 0 HB2 HIS A 91 7.957 -12.140 -31.336 1.00 0.00 H new ATOM 0 HB3 HIS A 91 7.215 -12.937 -29.963 1.00 0.00 H new ATOM 0 HD2 HIS A 91 6.146 -11.466 -33.447 1.00 0.00 H new ATOM 0 HE1 HIS A 91 2.949 -13.802 -31.924 1.00 0.00 H new ATOM 0 HE2 HIS A 91 3.805 -12.500 -33.938 1.00 0.00 H new ATOM 1415 N ASP A 92 6.437 -8.542 -30.635 1.00 0.00 N ATOM 1416 CA ASP A 92 6.445 -7.371 -31.504 1.00 0.00 C ATOM 1417 C ASP A 92 7.872 -6.967 -31.859 1.00 0.00 C ATOM 1418 O ASP A 92 8.124 -6.414 -32.929 1.00 0.00 O ATOM 1419 CB ASP A 92 5.724 -6.203 -30.829 1.00 0.00 C ATOM 1420 CG ASP A 92 5.770 -4.936 -31.659 1.00 0.00 C ATOM 1421 OD1 ASP A 92 6.862 -4.339 -31.770 1.00 0.00 O ATOM 1422 OD2 ASP A 92 4.715 -4.541 -32.199 1.00 0.00 O ATOM 0 H ASP A 92 5.887 -8.431 -29.783 1.00 0.00 H new ATOM 0 HA ASP A 92 5.920 -7.629 -32.424 1.00 0.00 H new ATOM 0 HB2 ASP A 92 4.685 -6.477 -30.648 1.00 0.00 H new ATOM 0 HB3 ASP A 92 6.178 -6.013 -29.856 1.00 0.00 H new ATOM 1427 N GLY A 93 8.804 -7.245 -30.952 1.00 0.00 N ATOM 1428 CA GLY A 93 10.194 -6.903 -31.188 1.00 0.00 C ATOM 1429 C GLY A 93 11.140 -7.659 -30.276 1.00 0.00 C ATOM 1430 O GLY A 93 11.945 -8.468 -30.739 1.00 0.00 O ATOM 0 H GLY A 93 8.621 -7.701 -30.058 1.00 0.00 H new ATOM 0 HA2 GLY A 93 10.446 -7.117 -32.226 1.00 0.00 H new ATOM 0 HA3 GLY A 93 10.331 -5.832 -31.041 1.00 0.00 H new ATOM 1434 N ASP A 94 11.044 -7.396 -28.977 1.00 0.00 N ATOM 1435 CA ASP A 94 11.899 -8.057 -27.998 1.00 0.00 C ATOM 1436 C ASP A 94 11.217 -8.118 -26.635 1.00 0.00 C ATOM 1437 O ASP A 94 11.875 -8.268 -25.607 1.00 0.00 O ATOM 1438 CB ASP A 94 13.237 -7.325 -27.880 1.00 0.00 C ATOM 1439 CG ASP A 94 14.281 -8.143 -27.147 1.00 0.00 C ATOM 1440 OD1 ASP A 94 14.576 -9.271 -27.596 1.00 0.00 O ATOM 1441 OD2 ASP A 94 14.805 -7.656 -26.124 1.00 0.00 O ATOM 0 H ASP A 94 10.383 -6.730 -28.578 1.00 0.00 H new ATOM 0 HA ASP A 94 12.080 -9.076 -28.340 1.00 0.00 H new ATOM 0 HB2 ASP A 94 13.604 -7.082 -28.877 1.00 0.00 H new ATOM 0 HB3 ASP A 94 13.086 -6.381 -27.357 1.00 0.00 H new ATOM 1446 N GLY A 95 9.892 -8.000 -26.636 1.00 0.00 N ATOM 1447 CA GLY A 95 9.143 -8.043 -25.394 1.00 0.00 C ATOM 1448 C GLY A 95 8.951 -6.669 -24.784 1.00 0.00 C ATOM 1449 O GLY A 95 8.737 -6.540 -23.579 1.00 0.00 O ATOM 0 H GLY A 95 9.325 -7.875 -27.475 1.00 0.00 H new ATOM 0 HA2 GLY A 95 8.168 -8.495 -25.577 1.00 0.00 H new ATOM 0 HA3 GLY A 95 9.663 -8.684 -24.682 1.00 0.00 H new ATOM 1453 N LYS A 96 9.029 -5.637 -25.618 1.00 0.00 N ATOM 1454 CA LYS A 96 8.863 -4.265 -25.156 1.00 0.00 C ATOM 1455 C LYS A 96 7.425 -4.010 -24.714 1.00 0.00 C ATOM 1456 O LYS A 96 6.566 -3.675 -25.529 1.00 0.00 O ATOM 1457 CB LYS A 96 9.249 -3.282 -26.263 1.00 0.00 C ATOM 1458 CG LYS A 96 10.735 -2.969 -26.309 1.00 0.00 C ATOM 1459 CD LYS A 96 11.103 -2.190 -27.560 1.00 0.00 C ATOM 1460 CE LYS A 96 11.312 -3.114 -28.750 1.00 0.00 C ATOM 1461 NZ LYS A 96 11.529 -2.353 -30.012 1.00 0.00 N ATOM 0 H LYS A 96 9.206 -5.726 -26.619 1.00 0.00 H new ATOM 0 HA LYS A 96 9.520 -4.115 -24.300 1.00 0.00 H new ATOM 0 HB2 LYS A 96 8.943 -3.693 -27.225 1.00 0.00 H new ATOM 0 HB3 LYS A 96 8.695 -2.354 -26.122 1.00 0.00 H new ATOM 0 HG2 LYS A 96 11.014 -2.394 -25.426 1.00 0.00 H new ATOM 0 HG3 LYS A 96 11.304 -3.898 -26.277 1.00 0.00 H new ATOM 0 HD2 LYS A 96 10.314 -1.473 -27.789 1.00 0.00 H new ATOM 0 HD3 LYS A 96 12.012 -1.617 -27.379 1.00 0.00 H new ATOM 0 HE2 LYS A 96 12.171 -3.759 -28.563 1.00 0.00 H new ATOM 0 HE3 LYS A 96 10.444 -3.764 -28.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 11.667 -3.018 -30.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 10.699 -1.756 -30.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 12.372 -1.752 -29.914 1.00 0.00 H new ATOM 1475 N ILE A 97 7.172 -4.169 -23.419 1.00 0.00 N ATOM 1476 CA ILE A 97 5.839 -3.954 -22.870 1.00 0.00 C ATOM 1477 C ILE A 97 5.629 -2.490 -22.496 1.00 0.00 C ATOM 1478 O ILE A 97 6.559 -1.809 -22.066 1.00 0.00 O ATOM 1479 CB ILE A 97 5.594 -4.830 -21.627 1.00 0.00 C ATOM 1480 CG1 ILE A 97 5.781 -6.309 -21.974 1.00 0.00 C ATOM 1481 CG2 ILE A 97 4.200 -4.583 -21.071 1.00 0.00 C ATOM 1482 CD1 ILE A 97 5.820 -7.213 -20.762 1.00 0.00 C ATOM 0 H ILE A 97 7.872 -4.446 -22.731 1.00 0.00 H new ATOM 0 HA ILE A 97 5.128 -4.234 -23.647 1.00 0.00 H new ATOM 0 HB ILE A 97 6.322 -4.561 -20.862 1.00 0.00 H new ATOM 0 HG12 ILE A 97 4.969 -6.626 -22.628 1.00 0.00 H new ATOM 0 HG13 ILE A 97 6.707 -6.428 -22.536 1.00 0.00 H new ATOM 0 HG21 ILE A 97 4.042 -5.209 -20.193 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.100 -3.534 -20.791 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.457 -4.828 -21.830 1.00 0.00 H new ATOM 0 HD11 ILE A 97 5.955 -8.246 -21.083 1.00 0.00 H new ATOM 0 HD12 ILE A 97 6.650 -6.922 -20.118 1.00 0.00 H new ATOM 0 HD13 ILE A 97 4.884 -7.123 -20.211 1.00 0.00 H new ATOM 1494 N GLY A 98 4.399 -2.014 -22.660 1.00 0.00 N ATOM 1495 CA GLY A 98 4.088 -0.634 -22.333 1.00 0.00 C ATOM 1496 C GLY A 98 2.661 -0.460 -21.853 1.00 0.00 C ATOM 1497 O GLY A 98 1.853 0.193 -22.512 1.00 0.00 O ATOM 0 H GLY A 98 3.612 -2.559 -23.013 1.00 0.00 H new ATOM 0 HA2 GLY A 98 4.773 -0.283 -21.561 1.00 0.00 H new ATOM 0 HA3 GLY A 98 4.251 -0.010 -23.212 1.00 0.00 H new ATOM 1501 N ALA A 99 2.350 -1.047 -20.702 1.00 0.00 N ATOM 1502 CA ALA A 99 1.011 -0.953 -20.134 1.00 0.00 C ATOM 1503 C ALA A 99 -0.050 -1.323 -21.165 1.00 0.00 C ATOM 1504 O ALA A 99 -1.020 -0.591 -21.359 1.00 0.00 O ATOM 1505 CB ALA A 99 0.762 0.449 -19.597 1.00 0.00 C ATOM 0 H ALA A 99 3.007 -1.593 -20.145 1.00 0.00 H new ATOM 0 HA ALA A 99 0.942 -1.663 -19.310 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -0.242 0.504 -19.176 1.00 0.00 H new ATOM 0 HB2 ALA A 99 1.494 0.677 -18.822 1.00 0.00 H new ATOM 0 HB3 ALA A 99 0.856 1.171 -20.408 1.00 0.00 H new ATOM 1511 N GLU A 100 0.142 -2.462 -21.823 1.00 0.00 N ATOM 1512 CA GLU A 100 -0.799 -2.926 -22.836 1.00 0.00 C ATOM 1513 C GLU A 100 -0.675 -4.433 -23.043 1.00 0.00 C ATOM 1514 O GLU A 100 -1.671 -5.125 -23.250 1.00 0.00 O ATOM 1515 CB GLU A 100 -0.559 -2.197 -24.159 1.00 0.00 C ATOM 1516 CG GLU A 100 0.803 -2.479 -24.771 1.00 0.00 C ATOM 1517 CD GLU A 100 1.286 -1.352 -25.663 1.00 0.00 C ATOM 1518 OE1 GLU A 100 0.441 -0.728 -26.340 1.00 0.00 O ATOM 1519 OE2 GLU A 100 2.507 -1.093 -25.685 1.00 0.00 O ATOM 0 H GLU A 100 0.940 -3.080 -21.673 1.00 0.00 H new ATOM 0 HA GLU A 100 -1.808 -2.706 -22.487 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -1.334 -2.486 -24.869 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -0.660 -1.124 -23.996 1.00 0.00 H new ATOM 0 HG2 GLU A 100 1.528 -2.643 -23.974 1.00 0.00 H new ATOM 0 HG3 GLU A 100 0.753 -3.400 -25.351 1.00 0.00 H new ATOM 1526 N GLU A 101 0.555 -4.933 -22.985 1.00 0.00 N ATOM 1527 CA GLU A 101 0.809 -6.358 -23.168 1.00 0.00 C ATOM 1528 C GLU A 101 0.672 -7.109 -21.847 1.00 0.00 C ATOM 1529 O GLU A 101 -0.021 -8.123 -21.766 1.00 0.00 O ATOM 1530 CB GLU A 101 2.207 -6.578 -23.750 1.00 0.00 C ATOM 1531 CG GLU A 101 2.408 -5.936 -25.112 1.00 0.00 C ATOM 1532 CD GLU A 101 1.231 -6.160 -26.042 1.00 0.00 C ATOM 1533 OE1 GLU A 101 0.695 -7.288 -26.060 1.00 0.00 O ATOM 1534 OE2 GLU A 101 0.847 -5.208 -26.753 1.00 0.00 O ATOM 0 H GLU A 101 1.391 -4.374 -22.813 1.00 0.00 H new ATOM 0 HA GLU A 101 0.067 -6.747 -23.866 1.00 0.00 H new ATOM 0 HB2 GLU A 101 2.947 -6.178 -23.057 1.00 0.00 H new ATOM 0 HB3 GLU A 101 2.393 -7.649 -23.832 1.00 0.00 H new ATOM 0 HG2 GLU A 101 2.567 -4.865 -24.985 1.00 0.00 H new ATOM 0 HG3 GLU A 101 3.311 -6.340 -25.570 1.00 0.00 H new ATOM 1541 N PHE A 102 1.338 -6.603 -20.814 1.00 0.00 N ATOM 1542 CA PHE A 102 1.292 -7.226 -19.496 1.00 0.00 C ATOM 1543 C PHE A 102 -0.149 -7.399 -19.026 1.00 0.00 C ATOM 1544 O PHE A 102 -0.490 -8.398 -18.392 1.00 0.00 O ATOM 1545 CB PHE A 102 2.073 -6.386 -18.484 1.00 0.00 C ATOM 1546 CG PHE A 102 2.860 -7.207 -17.503 1.00 0.00 C ATOM 1547 CD1 PHE A 102 2.228 -8.136 -16.693 1.00 0.00 C ATOM 1548 CD2 PHE A 102 4.232 -7.049 -17.390 1.00 0.00 C ATOM 1549 CE1 PHE A 102 2.949 -8.894 -15.789 1.00 0.00 C ATOM 1550 CE2 PHE A 102 4.958 -7.804 -16.489 1.00 0.00 C ATOM 1551 CZ PHE A 102 4.316 -8.727 -15.687 1.00 0.00 C ATOM 0 H PHE A 102 1.916 -5.764 -20.864 1.00 0.00 H new ATOM 0 HA PHE A 102 1.752 -8.211 -19.571 1.00 0.00 H new ATOM 0 HB2 PHE A 102 2.754 -5.725 -19.021 1.00 0.00 H new ATOM 0 HB3 PHE A 102 1.377 -5.750 -17.937 1.00 0.00 H new ATOM 0 HD1 PHE A 102 1.159 -8.270 -16.768 1.00 0.00 H new ATOM 0 HD2 PHE A 102 4.740 -6.328 -18.013 1.00 0.00 H new ATOM 0 HE1 PHE A 102 2.444 -9.615 -15.164 1.00 0.00 H new ATOM 0 HE2 PHE A 102 6.027 -7.672 -16.412 1.00 0.00 H new ATOM 0 HZ PHE A 102 4.882 -9.317 -14.981 1.00 0.00 H new ATOM 1561 N GLN A 103 -0.990 -6.419 -19.341 1.00 0.00 N ATOM 1562 CA GLN A 103 -2.394 -6.463 -18.950 1.00 0.00 C ATOM 1563 C GLN A 103 -3.070 -7.720 -19.487 1.00 0.00 C ATOM 1564 O GLN A 103 -3.521 -8.568 -18.719 1.00 0.00 O ATOM 1565 CB GLN A 103 -3.125 -5.219 -19.458 1.00 0.00 C ATOM 1566 CG GLN A 103 -2.938 -3.998 -18.572 1.00 0.00 C ATOM 1567 CD GLN A 103 -1.501 -3.816 -18.126 1.00 0.00 C ATOM 1568 OE1 GLN A 103 -1.190 -3.918 -16.939 1.00 0.00 O ATOM 1569 NE2 GLN A 103 -0.615 -3.544 -19.077 1.00 0.00 N ATOM 0 H GLN A 103 -0.724 -5.586 -19.865 1.00 0.00 H new ATOM 0 HA GLN A 103 -2.442 -6.485 -17.861 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -2.772 -4.986 -20.463 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -4.189 -5.440 -19.537 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -3.262 -3.109 -19.112 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -3.578 -4.089 -17.694 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -0.917 -3.468 -20.048 1.00 0.00 H new ATOM 0 HE22 GLN A 103 0.367 -3.411 -18.836 1.00 0.00 H new ATOM 1578 N GLU A 104 -3.136 -7.831 -20.810 1.00 0.00 N ATOM 1579 CA GLU A 104 -3.759 -8.985 -21.449 1.00 0.00 C ATOM 1580 C GLU A 104 -3.124 -10.284 -20.963 1.00 0.00 C ATOM 1581 O GLU A 104 -3.780 -11.323 -20.901 1.00 0.00 O ATOM 1582 CB GLU A 104 -3.635 -8.882 -22.970 1.00 0.00 C ATOM 1583 CG GLU A 104 -4.657 -7.952 -23.602 1.00 0.00 C ATOM 1584 CD GLU A 104 -4.449 -7.785 -25.095 1.00 0.00 C ATOM 1585 OE1 GLU A 104 -4.755 -8.735 -25.847 1.00 0.00 O ATOM 1586 OE2 GLU A 104 -3.982 -6.705 -25.512 1.00 0.00 O ATOM 0 H GLU A 104 -2.766 -7.137 -21.460 1.00 0.00 H new ATOM 0 HA GLU A 104 -4.815 -8.993 -21.177 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -2.634 -8.533 -23.222 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -3.744 -9.876 -23.403 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -5.659 -8.341 -23.420 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -4.602 -6.976 -23.120 1.00 0.00 H new ATOM 1593 N MET A 105 -1.841 -10.217 -20.619 1.00 0.00 N ATOM 1594 CA MET A 105 -1.117 -11.388 -20.138 1.00 0.00 C ATOM 1595 C MET A 105 -1.692 -11.876 -18.812 1.00 0.00 C ATOM 1596 O MET A 105 -1.593 -13.057 -18.478 1.00 0.00 O ATOM 1597 CB MET A 105 0.369 -11.063 -19.974 1.00 0.00 C ATOM 1598 CG MET A 105 1.108 -12.037 -19.071 1.00 0.00 C ATOM 1599 SD MET A 105 2.816 -12.301 -19.584 1.00 0.00 S ATOM 1600 CE MET A 105 3.407 -10.613 -19.675 1.00 0.00 C ATOM 0 H MET A 105 -1.282 -9.365 -20.665 1.00 0.00 H new ATOM 0 HA MET A 105 -1.229 -12.182 -20.876 1.00 0.00 H new ATOM 0 HB2 MET A 105 0.842 -11.060 -20.956 1.00 0.00 H new ATOM 0 HB3 MET A 105 0.470 -10.056 -19.568 1.00 0.00 H new ATOM 0 HG2 MET A 105 1.094 -11.660 -18.048 1.00 0.00 H new ATOM 0 HG3 MET A 105 0.583 -12.992 -19.066 1.00 0.00 H new ATOM 0 HE1 MET A 105 4.494 -10.612 -19.752 1.00 0.00 H new ATOM 0 HE2 MET A 105 2.980 -10.125 -20.551 1.00 0.00 H new ATOM 0 HE3 MET A 105 3.107 -10.073 -18.777 1.00 0.00 H new ATOM 1610 N VAL A 106 -2.294 -10.960 -18.060 1.00 0.00 N ATOM 1611 CA VAL A 106 -2.886 -11.297 -16.771 1.00 0.00 C ATOM 1612 C VAL A 106 -4.379 -11.573 -16.907 1.00 0.00 C ATOM 1613 O VAL A 106 -4.874 -12.600 -16.445 1.00 0.00 O ATOM 1614 CB VAL A 106 -2.674 -10.169 -15.744 1.00 0.00 C ATOM 1615 CG1 VAL A 106 -3.338 -10.520 -14.421 1.00 0.00 C ATOM 1616 CG2 VAL A 106 -1.190 -9.896 -15.550 1.00 0.00 C ATOM 0 H VAL A 106 -2.385 -9.978 -18.322 1.00 0.00 H new ATOM 0 HA VAL A 106 -2.384 -12.198 -16.418 1.00 0.00 H new ATOM 0 HB VAL A 106 -3.139 -9.261 -16.127 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -3.178 -9.712 -13.708 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -4.408 -10.660 -14.577 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -2.905 -11.440 -14.029 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -1.059 -9.096 -14.821 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -0.698 -10.799 -15.190 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -0.748 -9.597 -16.500 1.00 0.00 H new ATOM 1626 N GLN A 107 -5.090 -10.648 -17.544 1.00 0.00 N ATOM 1627 CA GLN A 107 -6.528 -10.792 -17.740 1.00 0.00 C ATOM 1628 C GLN A 107 -6.846 -12.061 -18.525 1.00 0.00 C ATOM 1629 O GLN A 107 -7.949 -12.599 -18.433 1.00 0.00 O ATOM 1630 CB GLN A 107 -7.088 -9.572 -18.473 1.00 0.00 C ATOM 1631 CG GLN A 107 -6.672 -8.247 -17.854 1.00 0.00 C ATOM 1632 CD GLN A 107 -6.683 -8.281 -16.339 1.00 0.00 C ATOM 1633 OE1 GLN A 107 -7.572 -8.874 -15.726 1.00 0.00 O ATOM 1634 NE2 GLN A 107 -5.694 -7.643 -15.725 1.00 0.00 N ATOM 0 H GLN A 107 -4.694 -9.792 -17.933 1.00 0.00 H new ATOM 0 HA GLN A 107 -6.998 -10.866 -16.759 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -6.757 -9.599 -19.511 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -8.176 -9.633 -18.484 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -5.672 -7.987 -18.200 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -7.344 -7.462 -18.201 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -4.978 -7.165 -16.272 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -5.650 -7.631 -14.706 1.00 0.00 H new ATOM 1643 N SER A 108 -5.872 -12.534 -19.296 1.00 0.00 N ATOM 1644 CA SER A 108 -6.049 -13.737 -20.100 1.00 0.00 C ATOM 1645 C SER A 108 -5.233 -14.895 -19.532 1.00 0.00 C ATOM 1646 O SER A 108 -5.758 -15.984 -19.303 1.00 0.00 O ATOM 1647 CB SER A 108 -5.640 -13.473 -21.550 1.00 0.00 C ATOM 1648 OG SER A 108 -4.263 -13.745 -21.749 1.00 0.00 O ATOM 0 H SER A 108 -4.952 -12.102 -19.381 1.00 0.00 H new ATOM 0 HA SER A 108 -7.104 -14.010 -20.072 1.00 0.00 H new ATOM 0 HB2 SER A 108 -6.237 -14.094 -22.218 1.00 0.00 H new ATOM 0 HB3 SER A 108 -5.850 -12.435 -21.807 1.00 0.00 H new ATOM 0 HG SER A 108 -3.735 -12.957 -21.501 1.00 0.00 H new TER 1654 SER A 108