USER MOD reduce.3.24.130724 H: found=0, std=0, add=486, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 482 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 Single : A 1 LEU N :NH3+ 146:sc= 1.28 (180deg=1.16) USER MOD Single : A 2 LYS NZ :NH3+ -116:sc= 0.0398 (180deg=0) USER MOD Single : A 4 ASN : amide:sc=-0.00473 K(o=-0.0047,f=-1.8!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0276 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= 0.0171 K(o=0.017,f=-0.72) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 151:sc= 0.169 (180deg=0.00863) USER MOD Single : A 24 MET CE :methyl 150:sc= 0 (180deg=-0.592) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=-0.069) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot -8:sc= 1.17 USER MOD Single : A 55 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.024 USER MOD Single : A 60 ASN : amide:sc= 0.584 K(o=0.58,f=-5.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 0.905 13.126 -0.629 1.00 2.00 N ATOM 2 CA LEU A 1 0.043 12.138 -1.323 1.00 2.00 C ATOM 3 C LEU A 1 -1.499 12.374 -1.102 1.00 2.00 C ATOM 4 O LEU A 1 -1.949 13.244 -0.355 1.00 2.00 O ATOM 5 CB LEU A 1 0.446 10.704 -0.835 1.00 2.00 C ATOM 6 CG LEU A 1 0.910 9.694 -1.915 1.00 2.00 C ATOM 7 CD1 LEU A 1 1.001 8.293 -1.284 1.00 2.00 C ATOM 8 CD2 LEU A 1 0.043 9.590 -3.176 1.00 2.00 C ATOM 0 H1 LEU A 1 1.782 12.662 -0.316 1.00 2.00 H new ATOM 0 H2 LEU A 1 1.137 13.902 -1.281 1.00 2.00 H new ATOM 0 H3 LEU A 1 0.401 13.507 0.197 1.00 2.00 H new ATOM 0 HA LEU A 1 0.207 12.253 -2.394 1.00 2.00 H new ATOM 0 HB2 LEU A 1 1.247 10.809 -0.104 1.00 2.00 H new ATOM 0 HB3 LEU A 1 -0.408 10.272 -0.313 1.00 2.00 H new ATOM 0 HG LEU A 1 1.870 10.083 -2.254 1.00 2.00 H new ATOM 0 HD11 LEU A 1 1.327 7.575 -2.037 1.00 2.00 H new ATOM 0 HD12 LEU A 1 1.719 8.309 -0.464 1.00 2.00 H new ATOM 0 HD13 LEU A 1 0.022 8.001 -0.904 1.00 2.00 H new ATOM 0 HD21 LEU A 1 0.472 8.851 -3.853 1.00 2.00 H new ATOM 0 HD22 LEU A 1 -0.966 9.285 -2.899 1.00 2.00 H new ATOM 0 HD23 LEU A 1 0.006 10.559 -3.673 1.00 2.00 H new ATOM 22 N LYS A 2 -2.288 11.572 -1.813 1.00 2.00 N ATOM 23 CA LYS A 2 -3.769 11.574 -1.791 1.00 2.00 C ATOM 24 C LYS A 2 -4.079 10.084 -2.154 1.00 2.00 C ATOM 25 O LYS A 2 -3.803 9.696 -3.286 1.00 2.00 O ATOM 26 CB LYS A 2 -4.444 12.566 -2.787 1.00 2.00 C ATOM 27 CG LYS A 2 -4.324 14.085 -2.500 1.00 2.00 C ATOM 28 CD LYS A 2 -3.139 14.766 -3.223 1.00 2.00 C ATOM 29 CE LYS A 2 -2.887 16.233 -2.840 1.00 2.00 C ATOM 30 NZ LYS A 2 -2.327 16.353 -1.476 1.00 2.00 N ATOM 0 H LYS A 2 -1.909 10.871 -2.449 1.00 2.00 H new ATOM 0 HA LYS A 2 -4.167 11.917 -0.836 1.00 2.00 H new ATOM 0 HB2 LYS A 2 -4.027 12.380 -3.777 1.00 2.00 H new ATOM 0 HB3 LYS A 2 -5.504 12.319 -2.836 1.00 2.00 H new ATOM 0 HG2 LYS A 2 -5.250 14.576 -2.799 1.00 2.00 H new ATOM 0 HG3 LYS A 2 -4.216 14.235 -1.426 1.00 2.00 H new ATOM 0 HD2 LYS A 2 -2.234 14.194 -3.018 1.00 2.00 H new ATOM 0 HD3 LYS A 2 -3.313 14.714 -4.298 1.00 2.00 H new ATOM 0 HE2 LYS A 2 -2.200 16.684 -3.556 1.00 2.00 H new ATOM 0 HE3 LYS A 2 -3.822 16.791 -2.900 1.00 2.00 H new ATOM 0 HZ1 LYS A 2 -3.000 16.863 -0.868 1.00 2.00 H new ATOM 0 HZ2 LYS A 2 -2.158 15.404 -1.086 1.00 2.00 H new ATOM 0 HZ3 LYS A 2 -1.429 16.877 -1.514 1.00 2.00 H new ATOM 43 N CYS A 3 -4.557 9.214 -1.251 1.00 2.00 N ATOM 44 CA CYS A 3 -4.855 7.785 -1.590 1.00 2.00 C ATOM 45 C CYS A 3 -6.359 7.367 -1.527 1.00 2.00 C ATOM 46 O CYS A 3 -7.256 8.209 -1.515 1.00 2.00 O ATOM 47 CB CYS A 3 -3.882 6.957 -0.714 1.00 2.00 C ATOM 48 SG CYS A 3 -2.179 7.228 -1.226 1.00 2.00 S ATOM 0 H CYS A 3 -4.750 9.459 -0.280 1.00 2.00 H new ATOM 0 HA CYS A 3 -4.682 7.592 -2.649 1.00 2.00 H new ATOM 0 HB2 CYS A 3 -4.001 7.235 0.333 1.00 2.00 H new ATOM 0 HB3 CYS A 3 -4.126 5.898 -0.792 1.00 2.00 H new ATOM 53 N ASN A 4 -6.623 6.052 -1.589 1.00 2.00 N ATOM 54 CA ASN A 4 -7.991 5.481 -1.541 1.00 2.00 C ATOM 55 C ASN A 4 -8.016 4.193 -0.662 1.00 2.00 C ATOM 56 O ASN A 4 -7.405 3.196 -1.055 1.00 2.00 O ATOM 57 CB ASN A 4 -8.481 5.008 -2.949 1.00 2.00 C ATOM 58 CG ASN A 4 -8.622 5.980 -4.108 1.00 2.00 C ATOM 59 OD1 ASN A 4 -8.861 7.172 -3.980 1.00 2.00 O ATOM 60 ND2 ASN A 4 -8.526 5.463 -5.306 1.00 2.00 N ATOM 0 H ASN A 4 -5.893 5.345 -1.674 1.00 2.00 H new ATOM 0 HA ASN A 4 -8.625 6.275 -1.147 1.00 2.00 H new ATOM 0 HB2 ASN A 4 -7.798 4.223 -3.275 1.00 2.00 H new ATOM 0 HB3 ASN A 4 -9.456 4.543 -2.805 1.00 2.00 H new ATOM 0 HD21 ASN A 4 -8.650 6.054 -6.128 1.00 2.00 H new ATOM 0 HD22 ASN A 4 -8.327 4.469 -5.418 1.00 2.00 H new ATOM 67 N LYS A 5 -8.689 4.157 0.504 1.00 2.00 N ATOM 68 CA LYS A 5 -8.740 2.928 1.362 1.00 2.00 C ATOM 69 C LYS A 5 -9.540 1.760 0.653 1.00 2.00 C ATOM 70 O LYS A 5 -9.988 1.924 -0.485 1.00 2.00 O ATOM 71 CB LYS A 5 -9.153 3.308 2.813 1.00 2.00 C ATOM 72 CG LYS A 5 -10.634 3.694 3.082 1.00 2.00 C ATOM 73 CD LYS A 5 -10.796 5.110 3.678 1.00 2.00 C ATOM 74 CE LYS A 5 -12.254 5.535 3.913 1.00 2.00 C ATOM 75 NZ LYS A 5 -12.812 4.929 5.137 1.00 2.00 N ATOM 0 H LYS A 5 -9.205 4.951 0.883 1.00 2.00 H new ATOM 0 HA LYS A 5 -7.749 2.489 1.479 1.00 2.00 H new ATOM 0 HB2 LYS A 5 -8.907 2.466 3.460 1.00 2.00 H new ATOM 0 HB3 LYS A 5 -8.529 4.145 3.128 1.00 2.00 H new ATOM 0 HG2 LYS A 5 -11.194 3.634 2.149 1.00 2.00 H new ATOM 0 HG3 LYS A 5 -11.074 2.967 3.765 1.00 2.00 H new ATOM 0 HD2 LYS A 5 -10.259 5.156 4.626 1.00 2.00 H new ATOM 0 HD3 LYS A 5 -10.324 5.829 3.009 1.00 2.00 H new ATOM 0 HE2 LYS A 5 -12.308 6.621 3.988 1.00 2.00 H new ATOM 0 HE3 LYS A 5 -12.860 5.244 3.055 1.00 2.00 H new ATOM 0 HZ1 LYS A 5 -13.797 5.240 5.260 1.00 2.00 H new ATOM 0 HZ2 LYS A 5 -12.784 3.893 5.055 1.00 2.00 H new ATOM 0 HZ3 LYS A 5 -12.249 5.227 5.959 1.00 2.00 H new ATOM 88 N LEU A 6 -9.724 0.574 1.254 1.00 2.00 N ATOM 89 CA LEU A 6 -10.475 -0.563 0.606 1.00 2.00 C ATOM 90 C LEU A 6 -11.837 -0.312 -0.128 1.00 2.00 C ATOM 91 O LEU A 6 -12.076 -0.854 -1.210 1.00 2.00 O ATOM 92 CB LEU A 6 -10.612 -1.730 1.640 1.00 2.00 C ATOM 93 CG LEU A 6 -9.929 -3.060 1.255 1.00 2.00 C ATOM 94 CD1 LEU A 6 -10.521 -3.702 -0.012 1.00 2.00 C ATOM 95 CD2 LEU A 6 -8.421 -2.843 1.112 1.00 2.00 C ATOM 0 H LEU A 6 -9.372 0.357 2.186 1.00 2.00 H new ATOM 0 HA LEU A 6 -9.843 -0.795 -0.251 1.00 2.00 H new ATOM 0 HB2 LEU A 6 -10.200 -1.395 2.592 1.00 2.00 H new ATOM 0 HB3 LEU A 6 -11.673 -1.923 1.802 1.00 2.00 H new ATOM 0 HG LEU A 6 -10.120 -3.768 2.061 1.00 2.00 H new ATOM 0 HD11 LEU A 6 -9.997 -4.633 -0.227 1.00 2.00 H new ATOM 0 HD12 LEU A 6 -11.579 -3.910 0.146 1.00 2.00 H new ATOM 0 HD13 LEU A 6 -10.407 -3.019 -0.853 1.00 2.00 H new ATOM 0 HD21 LEU A 6 -7.942 -3.784 0.840 1.00 2.00 H new ATOM 0 HD22 LEU A 6 -8.232 -2.102 0.335 1.00 2.00 H new ATOM 0 HD23 LEU A 6 -8.013 -2.488 2.059 1.00 2.00 H new ATOM 107 N ILE A 7 -12.697 0.519 0.467 1.00 2.00 N ATOM 108 CA ILE A 7 -14.037 0.883 -0.077 1.00 2.00 C ATOM 109 C ILE A 7 -13.980 1.514 -1.531 1.00 2.00 C ATOM 110 O ILE A 7 -13.020 2.247 -1.806 1.00 2.00 O ATOM 111 CB ILE A 7 -14.701 1.858 0.982 1.00 2.00 C ATOM 112 CG1 ILE A 7 -14.945 1.208 2.385 1.00 2.00 C ATOM 113 CG2 ILE A 7 -16.046 2.501 0.539 1.00 2.00 C ATOM 114 CD1 ILE A 7 -14.998 2.206 3.557 1.00 2.00 C ATOM 0 H ILE A 7 -12.491 0.973 1.357 1.00 2.00 H new ATOM 0 HA ILE A 7 -14.639 -0.015 -0.213 1.00 2.00 H new ATOM 0 HB ILE A 7 -13.941 2.636 1.053 1.00 2.00 H new ATOM 0 HG12 ILE A 7 -15.883 0.654 2.355 1.00 2.00 H new ATOM 0 HG13 ILE A 7 -14.153 0.484 2.578 1.00 2.00 H new ATOM 0 HG21 ILE A 7 -16.418 3.150 1.332 1.00 2.00 H new ATOM 0 HG22 ILE A 7 -15.888 3.088 -0.366 1.00 2.00 H new ATOM 0 HG23 ILE A 7 -16.776 1.717 0.340 1.00 2.00 H new ATOM 0 HD11 ILE A 7 -15.171 1.665 4.488 1.00 2.00 H new ATOM 0 HD12 ILE A 7 -14.052 2.744 3.620 1.00 2.00 H new ATOM 0 HD13 ILE A 7 -15.809 2.916 3.394 1.00 2.00 H new ATOM 126 N PRO A 8 -14.942 1.280 -2.482 1.00 2.00 N ATOM 127 CA PRO A 8 -14.899 1.874 -3.856 1.00 2.00 C ATOM 128 C PRO A 8 -14.580 3.405 -4.012 1.00 2.00 C ATOM 129 O PRO A 8 -13.805 3.779 -4.895 1.00 2.00 O ATOM 130 CB PRO A 8 -16.262 1.450 -4.433 1.00 2.00 C ATOM 131 CG PRO A 8 -16.560 0.115 -3.752 1.00 2.00 C ATOM 132 CD PRO A 8 -16.027 0.287 -2.330 1.00 2.00 C ATOM 0 HA PRO A 8 -14.029 1.504 -4.399 1.00 2.00 H new ATOM 0 HB2 PRO A 8 -17.033 2.189 -4.215 1.00 2.00 H new ATOM 0 HB3 PRO A 8 -16.220 1.343 -5.517 1.00 2.00 H new ATOM 0 HG2 PRO A 8 -17.628 -0.102 -3.753 1.00 2.00 H new ATOM 0 HG3 PRO A 8 -16.067 -0.711 -4.264 1.00 2.00 H new ATOM 0 HD2 PRO A 8 -16.803 0.642 -1.651 1.00 2.00 H new ATOM 0 HD3 PRO A 8 -15.655 -0.654 -1.925 1.00 2.00 H new ATOM 140 N ILE A 9 -15.166 4.265 -3.159 1.00 2.00 N ATOM 141 CA ILE A 9 -14.947 5.748 -3.188 1.00 2.00 C ATOM 142 C ILE A 9 -13.714 6.182 -2.313 1.00 2.00 C ATOM 143 O ILE A 9 -12.706 6.635 -2.861 1.00 2.00 O ATOM 144 CB ILE A 9 -16.274 6.566 -2.944 1.00 2.00 C ATOM 145 CG1 ILE A 9 -17.122 6.169 -1.695 1.00 2.00 C ATOM 146 CG2 ILE A 9 -17.181 6.562 -4.203 1.00 2.00 C ATOM 147 CD1 ILE A 9 -18.056 7.282 -1.186 1.00 2.00 C ATOM 0 H ILE A 9 -15.807 3.965 -2.425 1.00 2.00 H new ATOM 0 HA ILE A 9 -14.664 6.019 -4.205 1.00 2.00 H new ATOM 0 HB ILE A 9 -15.903 7.568 -2.730 1.00 2.00 H new ATOM 0 HG12 ILE A 9 -17.721 5.292 -1.940 1.00 2.00 H new ATOM 0 HG13 ILE A 9 -16.448 5.879 -0.889 1.00 2.00 H new ATOM 0 HG21 ILE A 9 -18.086 7.134 -4.001 1.00 2.00 H new ATOM 0 HG22 ILE A 9 -16.646 7.013 -5.039 1.00 2.00 H new ATOM 0 HG23 ILE A 9 -17.449 5.536 -4.455 1.00 2.00 H new ATOM 0 HD11 ILE A 9 -18.608 6.924 -0.317 1.00 2.00 H new ATOM 0 HD12 ILE A 9 -17.464 8.154 -0.906 1.00 2.00 H new ATOM 0 HD13 ILE A 9 -18.757 7.557 -1.974 1.00 2.00 H new ATOM 159 N ALA A 10 -13.790 6.041 -0.972 1.00 2.00 N ATOM 160 CA ALA A 10 -12.710 6.401 -0.011 1.00 2.00 C ATOM 161 C ALA A 10 -12.243 7.905 0.132 1.00 2.00 C ATOM 162 O ALA A 10 -12.587 8.792 -0.652 1.00 2.00 O ATOM 163 CB ALA A 10 -11.574 5.381 -0.195 1.00 2.00 C ATOM 0 H ALA A 10 -14.619 5.666 -0.511 1.00 2.00 H new ATOM 0 HA ALA A 10 -13.163 6.333 0.978 1.00 2.00 H new ATOM 0 HB1 ALA A 10 -10.762 5.613 0.494 1.00 2.00 H new ATOM 0 HB2 ALA A 10 -11.949 4.378 0.010 1.00 2.00 H new ATOM 0 HB3 ALA A 10 -11.205 5.428 -1.220 1.00 2.00 H new ATOM 169 N SER A 11 -11.476 8.184 1.208 1.00 2.00 N ATOM 170 CA SER A 11 -10.933 9.541 1.524 1.00 2.00 C ATOM 171 C SER A 11 -9.557 9.841 0.828 1.00 2.00 C ATOM 172 O SER A 11 -8.730 8.943 0.661 1.00 2.00 O ATOM 173 CB SER A 11 -10.826 9.607 3.065 1.00 2.00 C ATOM 174 OG SER A 11 -10.532 10.939 3.490 1.00 2.00 O ATOM 0 H SER A 11 -11.209 7.476 1.892 1.00 2.00 H new ATOM 0 HA SER A 11 -11.598 10.311 1.133 1.00 2.00 H new ATOM 0 HB2 SER A 11 -11.761 9.274 3.515 1.00 2.00 H new ATOM 0 HB3 SER A 11 -10.046 8.928 3.411 1.00 2.00 H new ATOM 0 HG SER A 11 -10.469 10.964 4.468 1.00 2.00 H new ATOM 180 N LYS A 12 -9.277 11.121 0.511 1.00 2.00 N ATOM 181 CA LYS A 12 -8.012 11.552 -0.165 1.00 2.00 C ATOM 182 C LYS A 12 -6.661 11.843 0.610 1.00 2.00 C ATOM 183 O LYS A 12 -5.862 10.934 0.840 1.00 2.00 O ATOM 184 CB LYS A 12 -8.466 12.589 -1.253 1.00 2.00 C ATOM 185 CG LYS A 12 -9.027 13.967 -0.794 1.00 2.00 C ATOM 186 CD LYS A 12 -9.770 14.753 -1.899 1.00 2.00 C ATOM 187 CE LYS A 12 -11.179 14.236 -2.256 1.00 2.00 C ATOM 188 NZ LYS A 12 -12.154 14.482 -1.172 1.00 2.00 N ATOM 0 H LYS A 12 -9.913 11.893 0.711 1.00 2.00 H new ATOM 0 HA LYS A 12 -7.555 10.648 -0.567 1.00 2.00 H new ATOM 0 HB2 LYS A 12 -7.611 12.781 -1.902 1.00 2.00 H new ATOM 0 HB3 LYS A 12 -9.230 12.110 -1.866 1.00 2.00 H new ATOM 0 HG2 LYS A 12 -9.708 13.808 0.043 1.00 2.00 H new ATOM 0 HG3 LYS A 12 -8.203 14.576 -0.423 1.00 2.00 H new ATOM 0 HD2 LYS A 12 -9.854 15.794 -1.585 1.00 2.00 H new ATOM 0 HD3 LYS A 12 -9.159 14.740 -2.802 1.00 2.00 H new ATOM 0 HE2 LYS A 12 -11.522 14.723 -3.169 1.00 2.00 H new ATOM 0 HE3 LYS A 12 -11.130 13.167 -2.463 1.00 2.00 H new ATOM 0 HZ1 LYS A 12 -13.087 14.119 -1.455 1.00 2.00 H new ATOM 0 HZ2 LYS A 12 -11.841 13.997 -0.307 1.00 2.00 H new ATOM 0 HZ3 LYS A 12 -12.221 15.504 -0.991 1.00 2.00 H new ATOM 201 N THR A 13 -6.366 13.119 0.901 1.00 2.00 N ATOM 202 CA THR A 13 -5.152 13.650 1.614 1.00 2.00 C ATOM 203 C THR A 13 -4.261 12.779 2.586 1.00 2.00 C ATOM 204 O THR A 13 -4.735 12.180 3.552 1.00 2.00 O ATOM 205 CB THR A 13 -5.619 14.973 2.327 1.00 2.00 C ATOM 206 OG1 THR A 13 -6.232 15.870 1.401 1.00 2.00 O ATOM 207 CG2 THR A 13 -4.529 15.829 3.003 1.00 2.00 C ATOM 0 H THR A 13 -7.000 13.873 0.635 1.00 2.00 H new ATOM 0 HA THR A 13 -4.421 13.736 0.810 1.00 2.00 H new ATOM 0 HB THR A 13 -6.283 14.576 3.095 1.00 2.00 H new ATOM 0 HG1 THR A 13 -6.514 16.683 1.871 1.00 2.00 H new ATOM 0 HG21 THR A 13 -4.986 16.709 3.455 1.00 2.00 H new ATOM 0 HG22 THR A 13 -4.032 15.242 3.775 1.00 2.00 H new ATOM 0 HG23 THR A 13 -3.798 16.142 2.258 1.00 2.00 H new ATOM 215 N CYS A 14 -2.934 12.811 2.345 1.00 2.00 N ATOM 216 CA CYS A 14 -1.894 12.081 3.125 1.00 2.00 C ATOM 217 C CYS A 14 -0.482 12.804 2.966 1.00 2.00 C ATOM 218 O CYS A 14 -0.198 13.313 1.876 1.00 2.00 O ATOM 219 CB CYS A 14 -1.883 10.604 2.693 1.00 2.00 C ATOM 220 SG CYS A 14 -0.661 9.674 3.637 1.00 2.00 S ATOM 0 H CYS A 14 -2.537 13.359 1.582 1.00 2.00 H new ATOM 0 HA CYS A 14 -2.124 12.101 4.190 1.00 2.00 H new ATOM 0 HB2 CYS A 14 -2.872 10.169 2.840 1.00 2.00 H new ATOM 0 HB3 CYS A 14 -1.659 10.533 1.629 1.00 2.00 H new ATOM 225 N PRO A 15 0.458 12.860 3.958 1.00 2.00 N ATOM 226 CA PRO A 15 1.792 13.546 3.811 1.00 2.00 C ATOM 227 C PRO A 15 2.791 13.382 2.603 1.00 2.00 C ATOM 228 O PRO A 15 2.614 12.579 1.682 1.00 2.00 O ATOM 229 CB PRO A 15 2.460 13.115 5.137 1.00 2.00 C ATOM 230 CG PRO A 15 1.326 13.044 6.154 1.00 2.00 C ATOM 231 CD PRO A 15 0.168 12.459 5.356 1.00 2.00 C ATOM 0 HA PRO A 15 1.567 14.587 3.577 1.00 2.00 H new ATOM 0 HB2 PRO A 15 2.955 12.150 5.032 1.00 2.00 H new ATOM 0 HB3 PRO A 15 3.221 13.832 5.445 1.00 2.00 H new ATOM 0 HG2 PRO A 15 1.588 12.413 7.003 1.00 2.00 H new ATOM 0 HG3 PRO A 15 1.082 14.029 6.552 1.00 2.00 H new ATOM 0 HD2 PRO A 15 0.120 11.375 5.459 1.00 2.00 H new ATOM 0 HD3 PRO A 15 -0.790 12.854 5.694 1.00 2.00 H new ATOM 239 N ALA A 16 3.822 14.258 2.593 1.00 2.00 N ATOM 240 CA ALA A 16 4.902 14.294 1.558 1.00 2.00 C ATOM 241 C ALA A 16 5.945 13.160 1.825 1.00 2.00 C ATOM 242 O ALA A 16 5.981 12.593 2.926 1.00 2.00 O ATOM 243 CB ALA A 16 5.503 15.711 1.639 1.00 2.00 C ATOM 0 H ALA A 16 3.936 14.974 3.311 1.00 2.00 H new ATOM 0 HA ALA A 16 4.533 14.107 0.550 1.00 2.00 H new ATOM 0 HB1 ALA A 16 6.303 15.809 0.906 1.00 2.00 H new ATOM 0 HB2 ALA A 16 4.727 16.448 1.430 1.00 2.00 H new ATOM 0 HB3 ALA A 16 5.904 15.880 2.638 1.00 2.00 H new ATOM 249 N GLY A 17 6.844 12.811 0.877 1.00 2.00 N ATOM 250 CA GLY A 17 7.841 11.697 1.132 1.00 2.00 C ATOM 251 C GLY A 17 7.159 10.318 0.844 1.00 2.00 C ATOM 252 O GLY A 17 7.692 9.444 0.158 1.00 2.00 O ATOM 0 H GLY A 17 6.916 13.251 -0.040 1.00 2.00 H new ATOM 0 HA2 GLY A 17 8.716 11.823 0.495 1.00 2.00 H new ATOM 0 HA3 GLY A 17 8.190 11.735 2.164 1.00 2.00 H new ATOM 256 N LYS A 18 5.948 10.166 1.419 1.00 2.00 N ATOM 257 CA LYS A 18 5.053 9.004 1.329 1.00 2.00 C ATOM 258 C LYS A 18 4.427 9.185 -0.103 1.00 2.00 C ATOM 259 O LYS A 18 3.490 9.963 -0.300 1.00 2.00 O ATOM 260 CB LYS A 18 3.987 9.098 2.465 1.00 2.00 C ATOM 261 CG LYS A 18 4.474 9.166 3.936 1.00 2.00 C ATOM 262 CD LYS A 18 4.862 7.808 4.551 1.00 2.00 C ATOM 263 CE LYS A 18 5.458 7.909 5.965 1.00 2.00 C ATOM 264 NZ LYS A 18 6.877 8.314 5.926 1.00 2.00 N ATOM 0 H LYS A 18 5.547 10.905 1.997 1.00 2.00 H new ATOM 0 HA LYS A 18 5.528 8.031 1.451 1.00 2.00 H new ATOM 0 HB2 LYS A 18 3.379 9.983 2.276 1.00 2.00 H new ATOM 0 HB3 LYS A 18 3.329 8.234 2.374 1.00 2.00 H new ATOM 0 HG2 LYS A 18 5.335 9.832 3.989 1.00 2.00 H new ATOM 0 HG3 LYS A 18 3.688 9.613 4.544 1.00 2.00 H new ATOM 0 HD2 LYS A 18 3.979 7.170 4.585 1.00 2.00 H new ATOM 0 HD3 LYS A 18 5.584 7.318 3.898 1.00 2.00 H new ATOM 0 HE2 LYS A 18 4.888 8.631 6.550 1.00 2.00 H new ATOM 0 HE3 LYS A 18 5.367 6.947 6.469 1.00 2.00 H new ATOM 0 HZ1 LYS A 18 7.248 8.373 6.896 1.00 2.00 H new ATOM 0 HZ2 LYS A 18 7.424 7.612 5.388 1.00 2.00 H new ATOM 0 HZ3 LYS A 18 6.960 9.243 5.467 1.00 2.00 H new ATOM 277 N ASN A 19 5.051 8.574 -1.113 1.00 2.00 N ATOM 278 CA ASN A 19 4.609 8.633 -2.536 1.00 2.00 C ATOM 279 C ASN A 19 3.775 7.428 -3.080 1.00 2.00 C ATOM 280 O ASN A 19 2.984 7.597 -4.007 1.00 2.00 O ATOM 281 CB ASN A 19 5.874 8.921 -3.402 1.00 2.00 C ATOM 282 CG ASN A 19 6.926 7.811 -3.524 1.00 2.00 C ATOM 283 OD1 ASN A 19 6.853 6.953 -4.392 1.00 2.00 O ATOM 284 ND2 ASN A 19 7.915 7.773 -2.670 1.00 2.00 N ATOM 0 H ASN A 19 5.892 8.012 -0.978 1.00 2.00 H new ATOM 0 HA ASN A 19 3.874 9.435 -2.601 1.00 2.00 H new ATOM 0 HB2 ASN A 19 5.540 9.178 -4.407 1.00 2.00 H new ATOM 0 HB3 ASN A 19 6.365 9.804 -2.994 1.00 2.00 H new ATOM 0 HD21 ASN A 19 8.615 7.033 -2.732 1.00 2.00 H new ATOM 0 HD22 ASN A 19 7.987 8.483 -1.941 1.00 2.00 H new ATOM 291 N LEU A 20 3.957 6.236 -2.512 1.00 2.00 N ATOM 292 CA LEU A 20 3.257 5.003 -2.905 1.00 2.00 C ATOM 293 C LEU A 20 1.846 4.787 -2.283 1.00 2.00 C ATOM 294 O LEU A 20 1.701 4.641 -1.062 1.00 2.00 O ATOM 295 CB LEU A 20 4.173 3.808 -2.487 1.00 2.00 C ATOM 296 CG LEU A 20 5.615 3.686 -3.055 1.00 2.00 C ATOM 297 CD1 LEU A 20 6.391 2.556 -2.375 1.00 2.00 C ATOM 298 CD2 LEU A 20 5.659 3.420 -4.558 1.00 2.00 C ATOM 0 H LEU A 20 4.613 6.092 -1.744 1.00 2.00 H new ATOM 0 HA LEU A 20 3.078 5.078 -3.978 1.00 2.00 H new ATOM 0 HB2 LEU A 20 4.256 3.830 -1.400 1.00 2.00 H new ATOM 0 HB3 LEU A 20 3.645 2.891 -2.748 1.00 2.00 H new ATOM 0 HG LEU A 20 6.070 4.655 -2.852 1.00 2.00 H new ATOM 0 HD11 LEU A 20 7.395 2.499 -2.796 1.00 2.00 H new ATOM 0 HD12 LEU A 20 6.457 2.753 -1.305 1.00 2.00 H new ATOM 0 HD13 LEU A 20 5.875 1.610 -2.539 1.00 2.00 H new ATOM 0 HD21 LEU A 20 6.696 3.347 -4.884 1.00 2.00 H new ATOM 0 HD22 LEU A 20 5.143 2.485 -4.777 1.00 2.00 H new ATOM 0 HD23 LEU A 20 5.169 4.238 -5.087 1.00 2.00 H new ATOM 310 N CYS A 21 0.782 4.801 -3.107 1.00 2.00 N ATOM 311 CA CYS A 21 -0.614 4.587 -2.627 1.00 2.00 C ATOM 312 C CYS A 21 -0.664 3.010 -2.625 1.00 2.00 C ATOM 313 O CYS A 21 -0.929 2.363 -3.642 1.00 2.00 O ATOM 314 CB CYS A 21 -1.636 5.238 -3.580 1.00 2.00 C ATOM 315 SG CYS A 21 -1.920 6.969 -3.196 1.00 2.00 S ATOM 0 H CYS A 21 0.853 4.958 -4.112 1.00 2.00 H new ATOM 0 HA CYS A 21 -0.862 5.032 -1.663 1.00 2.00 H new ATOM 0 HB2 CYS A 21 -1.280 5.150 -4.606 1.00 2.00 H new ATOM 0 HB3 CYS A 21 -2.580 4.696 -3.522 1.00 2.00 H new ATOM 320 N TYR A 22 -0.321 2.393 -1.483 1.00 2.00 N ATOM 321 CA TYR A 22 -0.304 0.922 -1.330 1.00 2.00 C ATOM 322 C TYR A 22 -1.631 0.131 -1.182 1.00 2.00 C ATOM 323 O TYR A 22 -2.672 0.640 -0.775 1.00 2.00 O ATOM 324 CB TYR A 22 0.752 0.561 -0.233 1.00 2.00 C ATOM 325 CG TYR A 22 0.330 0.643 1.251 1.00 2.00 C ATOM 326 CD1 TYR A 22 0.501 1.832 1.957 1.00 2.00 C ATOM 327 CD2 TYR A 22 -0.206 -0.470 1.913 1.00 2.00 C ATOM 328 CE1 TYR A 22 0.162 1.911 3.306 1.00 2.00 C ATOM 329 CE2 TYR A 22 -0.562 -0.384 3.260 1.00 2.00 C ATOM 330 CZ TYR A 22 -0.377 0.807 3.952 1.00 2.00 C ATOM 331 OH TYR A 22 -0.736 0.907 5.268 1.00 2.00 O ATOM 0 H TYR A 22 -0.047 2.895 -0.639 1.00 2.00 H new ATOM 0 HA TYR A 22 -0.030 0.559 -2.320 1.00 2.00 H new ATOM 0 HB2 TYR A 22 1.095 -0.456 -0.425 1.00 2.00 H new ATOM 0 HB3 TYR A 22 1.611 1.218 -0.370 1.00 2.00 H new ATOM 0 HD1 TYR A 22 0.900 2.700 1.454 1.00 2.00 H new ATOM 0 HD2 TYR A 22 -0.344 -1.398 1.379 1.00 2.00 H new ATOM 0 HE1 TYR A 22 0.319 2.831 3.849 1.00 2.00 H new ATOM 0 HE2 TYR A 22 -0.981 -1.242 3.764 1.00 2.00 H new ATOM 0 HH TYR A 22 -1.098 0.049 5.574 1.00 2.00 H new ATOM 341 N LYS A 23 -1.522 -1.160 -1.495 1.00 2.00 N ATOM 342 CA LYS A 23 -2.621 -2.139 -1.433 1.00 2.00 C ATOM 343 C LYS A 23 -2.016 -3.378 -0.700 1.00 2.00 C ATOM 344 O LYS A 23 -1.191 -4.125 -1.232 1.00 2.00 O ATOM 345 CB LYS A 23 -3.351 -2.387 -2.772 1.00 2.00 C ATOM 346 CG LYS A 23 -2.554 -2.796 -4.029 1.00 2.00 C ATOM 347 CD LYS A 23 -3.424 -3.040 -5.281 1.00 2.00 C ATOM 348 CE LYS A 23 -4.105 -1.762 -5.790 1.00 2.00 C ATOM 349 NZ LYS A 23 -4.823 -2.013 -7.051 1.00 2.00 N ATOM 0 H LYS A 23 -0.643 -1.571 -1.809 1.00 2.00 H new ATOM 0 HA LYS A 23 -3.474 -1.766 -0.866 1.00 2.00 H new ATOM 0 HB2 LYS A 23 -4.095 -3.163 -2.595 1.00 2.00 H new ATOM 0 HB3 LYS A 23 -3.894 -1.475 -3.017 1.00 2.00 H new ATOM 0 HG2 LYS A 23 -1.826 -2.016 -4.253 1.00 2.00 H new ATOM 0 HG3 LYS A 23 -1.992 -3.703 -3.809 1.00 2.00 H new ATOM 0 HD2 LYS A 23 -2.803 -3.456 -6.074 1.00 2.00 H new ATOM 0 HD3 LYS A 23 -4.186 -3.785 -5.049 1.00 2.00 H new ATOM 0 HE2 LYS A 23 -4.802 -1.393 -5.038 1.00 2.00 H new ATOM 0 HE3 LYS A 23 -3.358 -0.983 -5.942 1.00 2.00 H new ATOM 0 HZ1 LYS A 23 -5.631 -1.362 -7.126 1.00 2.00 H new ATOM 0 HZ2 LYS A 23 -4.179 -1.860 -7.853 1.00 2.00 H new ATOM 0 HZ3 LYS A 23 -5.166 -2.995 -7.066 1.00 2.00 H new ATOM 362 N MET A 24 -2.352 -3.492 0.591 1.00 2.00 N ATOM 363 CA MET A 24 -1.910 -4.577 1.503 1.00 2.00 C ATOM 364 C MET A 24 -2.536 -5.956 1.138 1.00 2.00 C ATOM 365 O MET A 24 -3.591 -6.354 1.641 1.00 2.00 O ATOM 366 CB MET A 24 -2.285 -4.050 2.928 1.00 2.00 C ATOM 367 CG MET A 24 -2.350 -4.989 4.157 1.00 2.00 C ATOM 368 SD MET A 24 -1.339 -4.331 5.503 1.00 2.00 S ATOM 369 CE MET A 24 -2.375 -4.632 6.947 1.00 2.00 C ATOM 0 H MET A 24 -2.958 -2.814 1.053 1.00 2.00 H new ATOM 0 HA MET A 24 -0.842 -4.784 1.432 1.00 2.00 H new ATOM 0 HB2 MET A 24 -1.571 -3.263 3.171 1.00 2.00 H new ATOM 0 HB3 MET A 24 -3.263 -3.577 2.841 1.00 2.00 H new ATOM 0 HG2 MET A 24 -3.383 -5.095 4.488 1.00 2.00 H new ATOM 0 HG3 MET A 24 -1.999 -5.984 3.882 1.00 2.00 H new ATOM 0 HE1 MET A 24 -1.744 -4.789 7.821 1.00 2.00 H new ATOM 0 HE2 MET A 24 -3.022 -3.771 7.117 1.00 2.00 H new ATOM 0 HE3 MET A 24 -2.987 -5.518 6.777 1.00 2.00 H new ATOM 379 N PHE A 25 -1.870 -6.675 0.226 1.00 2.00 N ATOM 380 CA PHE A 25 -2.318 -8.011 -0.230 1.00 2.00 C ATOM 381 C PHE A 25 -1.887 -8.983 0.915 1.00 2.00 C ATOM 382 O PHE A 25 -0.688 -9.183 1.141 1.00 2.00 O ATOM 383 CB PHE A 25 -1.604 -8.378 -1.562 1.00 2.00 C ATOM 384 CG PHE A 25 -2.068 -7.859 -2.935 1.00 2.00 C ATOM 385 CD1 PHE A 25 -3.199 -7.061 -3.133 1.00 2.00 C ATOM 386 CD2 PHE A 25 -1.359 -8.316 -4.053 1.00 2.00 C ATOM 387 CE1 PHE A 25 -3.609 -6.721 -4.419 1.00 2.00 C ATOM 388 CE2 PHE A 25 -1.777 -7.986 -5.340 1.00 2.00 C ATOM 389 CZ PHE A 25 -2.897 -7.182 -5.521 1.00 2.00 C ATOM 0 H PHE A 25 -1.009 -6.356 -0.219 1.00 2.00 H new ATOM 0 HA PHE A 25 -3.390 -8.056 -0.420 1.00 2.00 H new ATOM 0 HB2 PHE A 25 -0.564 -8.070 -1.450 1.00 2.00 H new ATOM 0 HB3 PHE A 25 -1.609 -9.466 -1.625 1.00 2.00 H new ATOM 0 HD1 PHE A 25 -3.759 -6.705 -2.281 1.00 2.00 H new ATOM 0 HD2 PHE A 25 -0.481 -8.929 -3.916 1.00 2.00 H new ATOM 0 HE1 PHE A 25 -4.480 -6.099 -4.561 1.00 2.00 H new ATOM 0 HE2 PHE A 25 -1.232 -8.354 -6.196 1.00 2.00 H new ATOM 0 HZ PHE A 25 -3.214 -6.915 -6.518 1.00 2.00 H new ATOM 399 N MET A 26 -2.837 -9.510 1.702 1.00 2.00 N ATOM 400 CA MET A 26 -2.523 -10.447 2.820 1.00 2.00 C ATOM 401 C MET A 26 -1.764 -11.714 2.289 1.00 2.00 C ATOM 402 O MET A 26 -2.251 -12.318 1.334 1.00 2.00 O ATOM 403 CB MET A 26 -3.871 -10.758 3.525 1.00 2.00 C ATOM 404 CG MET A 26 -3.804 -11.428 4.913 1.00 2.00 C ATOM 405 SD MET A 26 -3.027 -13.046 4.823 1.00 2.00 S ATOM 406 CE MET A 26 -3.264 -13.610 6.507 1.00 2.00 C ATOM 0 H MET A 26 -3.832 -9.311 1.595 1.00 2.00 H new ATOM 0 HA MET A 26 -1.839 -10.011 3.548 1.00 2.00 H new ATOM 0 HB2 MET A 26 -4.422 -9.823 3.628 1.00 2.00 H new ATOM 0 HB3 MET A 26 -4.455 -11.402 2.867 1.00 2.00 H new ATOM 0 HG2 MET A 26 -3.245 -10.792 5.599 1.00 2.00 H new ATOM 0 HG3 MET A 26 -4.810 -11.528 5.319 1.00 2.00 H new ATOM 0 HE1 MET A 26 -2.836 -14.606 6.621 1.00 2.00 H new ATOM 0 HE2 MET A 26 -2.771 -12.922 7.194 1.00 2.00 H new ATOM 0 HE3 MET A 26 -4.330 -13.645 6.732 1.00 2.00 H new ATOM 416 N MET A 27 -0.604 -12.126 2.848 1.00 2.00 N ATOM 417 CA MET A 27 0.158 -13.337 2.366 1.00 2.00 C ATOM 418 C MET A 27 -0.667 -14.628 1.989 1.00 2.00 C ATOM 419 O MET A 27 -0.296 -15.371 1.081 1.00 2.00 O ATOM 420 CB MET A 27 1.341 -13.664 3.322 1.00 2.00 C ATOM 421 CG MET A 27 2.678 -13.016 2.907 1.00 2.00 C ATOM 422 SD MET A 27 4.017 -13.466 4.028 1.00 2.00 S ATOM 423 CE MET A 27 4.466 -15.092 3.398 1.00 2.00 C ATOM 0 H MET A 27 -0.162 -11.649 3.634 1.00 2.00 H new ATOM 0 HA MET A 27 0.532 -13.020 1.393 1.00 2.00 H new ATOM 0 HB2 MET A 27 1.085 -13.332 4.328 1.00 2.00 H new ATOM 0 HB3 MET A 27 1.471 -14.745 3.367 1.00 2.00 H new ATOM 0 HG2 MET A 27 2.933 -13.326 1.894 1.00 2.00 H new ATOM 0 HG3 MET A 27 2.567 -11.932 2.890 1.00 2.00 H new ATOM 0 HE1 MET A 27 5.284 -15.499 3.992 1.00 2.00 H new ATOM 0 HE2 MET A 27 3.605 -15.757 3.461 1.00 2.00 H new ATOM 0 HE3 MET A 27 4.781 -15.005 2.358 1.00 2.00 H new ATOM 433 N SER A 28 -1.741 -14.909 2.737 1.00 2.00 N ATOM 434 CA SER A 28 -2.636 -16.076 2.510 1.00 2.00 C ATOM 435 C SER A 28 -3.821 -15.736 1.509 1.00 2.00 C ATOM 436 O SER A 28 -4.352 -16.628 0.848 1.00 2.00 O ATOM 437 CB SER A 28 -3.181 -16.547 3.877 1.00 2.00 C ATOM 438 OG SER A 28 -2.131 -17.014 4.723 1.00 2.00 O ATOM 0 H SER A 28 -2.026 -14.332 3.529 1.00 2.00 H new ATOM 0 HA SER A 28 -2.062 -16.875 2.041 1.00 2.00 H new ATOM 0 HB2 SER A 28 -3.705 -15.725 4.365 1.00 2.00 H new ATOM 0 HB3 SER A 28 -3.910 -17.343 3.725 1.00 2.00 H new ATOM 0 HG SER A 28 -2.506 -17.303 5.581 1.00 2.00 H new ATOM 444 N ASP A 29 -4.341 -14.489 1.480 1.00 2.00 N ATOM 445 CA ASP A 29 -5.449 -14.025 0.591 1.00 2.00 C ATOM 446 C ASP A 29 -4.932 -12.691 -0.069 1.00 2.00 C ATOM 447 O ASP A 29 -5.218 -11.587 0.403 1.00 2.00 O ATOM 448 CB ASP A 29 -6.751 -13.836 1.418 1.00 2.00 C ATOM 449 CG ASP A 29 -7.589 -15.052 1.817 1.00 2.00 C ATOM 450 OD1 ASP A 29 -8.758 -14.944 2.167 1.00 2.00 O ATOM 451 OD2 ASP A 29 -6.920 -16.239 1.754 1.00 2.00 O ATOM 0 H ASP A 29 -3.996 -13.748 2.091 1.00 2.00 H new ATOM 0 HA ASP A 29 -5.703 -14.746 -0.186 1.00 2.00 H new ATOM 0 HB2 ASP A 29 -6.479 -13.315 2.336 1.00 2.00 H new ATOM 0 HB3 ASP A 29 -7.400 -13.167 0.852 1.00 2.00 H new ATOM 457 N LEU A 30 -4.224 -12.797 -1.206 1.00 2.00 N ATOM 458 CA LEU A 30 -3.662 -11.627 -1.938 1.00 2.00 C ATOM 459 C LEU A 30 -4.623 -10.690 -2.767 1.00 2.00 C ATOM 460 O LEU A 30 -4.880 -9.564 -2.341 1.00 2.00 O ATOM 461 CB LEU A 30 -2.482 -12.142 -2.853 1.00 2.00 C ATOM 462 CG LEU A 30 -1.184 -12.824 -2.339 1.00 2.00 C ATOM 463 CD1 LEU A 30 -0.314 -11.915 -1.464 1.00 2.00 C ATOM 464 CD2 LEU A 30 -1.406 -14.186 -1.666 1.00 2.00 C ATOM 0 H LEU A 30 -4.020 -13.692 -1.651 1.00 2.00 H new ATOM 0 HA LEU A 30 -3.351 -10.954 -1.139 1.00 2.00 H new ATOM 0 HB2 LEU A 30 -2.932 -12.846 -3.553 1.00 2.00 H new ATOM 0 HB3 LEU A 30 -2.156 -11.279 -3.434 1.00 2.00 H new ATOM 0 HG LEU A 30 -0.627 -13.020 -3.255 1.00 2.00 H new ATOM 0 HD11 LEU A 30 0.574 -12.460 -1.143 1.00 2.00 H new ATOM 0 HD12 LEU A 30 -0.014 -11.038 -2.037 1.00 2.00 H new ATOM 0 HD13 LEU A 30 -0.882 -11.600 -0.589 1.00 2.00 H new ATOM 0 HD21 LEU A 30 -0.448 -14.590 -1.338 1.00 2.00 H new ATOM 0 HD22 LEU A 30 -2.063 -14.063 -0.805 1.00 2.00 H new ATOM 0 HD23 LEU A 30 -1.865 -14.873 -2.377 1.00 2.00 H new ATOM 476 N THR A 31 -5.089 -11.144 -3.954 1.00 2.00 N ATOM 477 CA THR A 31 -6.005 -10.420 -4.909 1.00 2.00 C ATOM 478 C THR A 31 -6.858 -9.196 -4.438 1.00 2.00 C ATOM 479 O THR A 31 -6.661 -8.076 -4.925 1.00 2.00 O ATOM 480 CB THR A 31 -6.856 -11.462 -5.721 1.00 2.00 C ATOM 481 OG1 THR A 31 -7.674 -12.242 -4.853 1.00 2.00 O ATOM 482 CG2 THR A 31 -6.070 -12.455 -6.599 1.00 2.00 C ATOM 0 H THR A 31 -4.833 -12.068 -4.302 1.00 2.00 H new ATOM 0 HA THR A 31 -5.290 -9.882 -5.531 1.00 2.00 H new ATOM 0 HB THR A 31 -7.432 -10.824 -6.392 1.00 2.00 H new ATOM 0 HG1 THR A 31 -8.195 -12.882 -5.382 1.00 2.00 H new ATOM 0 HG21 THR A 31 -6.767 -13.121 -7.108 1.00 2.00 H new ATOM 0 HG22 THR A 31 -5.488 -11.905 -7.338 1.00 2.00 H new ATOM 0 HG23 THR A 31 -5.399 -13.042 -5.972 1.00 2.00 H new ATOM 490 N ILE A 32 -7.855 -9.425 -3.571 1.00 2.00 N ATOM 491 CA ILE A 32 -8.740 -8.350 -3.031 1.00 2.00 C ATOM 492 C ILE A 32 -7.922 -7.958 -1.731 1.00 2.00 C ATOM 493 O ILE A 32 -7.906 -8.756 -0.784 1.00 2.00 O ATOM 494 CB ILE A 32 -10.210 -8.846 -2.762 1.00 2.00 C ATOM 495 CG1 ILE A 32 -11.096 -9.100 -4.021 1.00 2.00 C ATOM 496 CG2 ILE A 32 -11.006 -7.847 -1.877 1.00 2.00 C ATOM 497 CD1 ILE A 32 -10.669 -10.247 -4.950 1.00 2.00 C ATOM 0 H ILE A 32 -8.081 -10.355 -3.217 1.00 2.00 H new ATOM 0 HA ILE A 32 -8.926 -7.511 -3.701 1.00 2.00 H new ATOM 0 HB ILE A 32 -10.034 -9.803 -2.271 1.00 2.00 H new ATOM 0 HG12 ILE A 32 -12.114 -9.296 -3.686 1.00 2.00 H new ATOM 0 HG13 ILE A 32 -11.125 -8.181 -4.607 1.00 2.00 H new ATOM 0 HG21 ILE A 32 -12.015 -8.227 -1.716 1.00 2.00 H new ATOM 0 HG22 ILE A 32 -10.504 -7.732 -0.916 1.00 2.00 H new ATOM 0 HG23 ILE A 32 -11.059 -6.880 -2.377 1.00 2.00 H new ATOM 0 HD11 ILE A 32 -11.366 -10.318 -5.785 1.00 2.00 H new ATOM 0 HD12 ILE A 32 -9.666 -10.053 -5.330 1.00 2.00 H new ATOM 0 HD13 ILE A 32 -10.671 -11.185 -4.395 1.00 2.00 H new ATOM 509 N PRO A 33 -7.232 -6.786 -1.621 1.00 2.00 N ATOM 510 CA PRO A 33 -6.464 -6.437 -0.398 1.00 2.00 C ATOM 511 C PRO A 33 -7.224 -6.289 0.956 1.00 2.00 C ATOM 512 O PRO A 33 -8.445 -6.136 1.027 1.00 2.00 O ATOM 513 CB PRO A 33 -5.813 -5.094 -0.827 1.00 2.00 C ATOM 514 CG PRO A 33 -6.715 -4.529 -1.924 1.00 2.00 C ATOM 515 CD PRO A 33 -7.181 -5.765 -2.680 1.00 2.00 C ATOM 0 HA PRO A 33 -5.800 -7.260 -0.135 1.00 2.00 H new ATOM 0 HB2 PRO A 33 -5.743 -4.406 0.016 1.00 2.00 H new ATOM 0 HB3 PRO A 33 -4.799 -5.250 -1.196 1.00 2.00 H new ATOM 0 HG2 PRO A 33 -7.555 -3.975 -1.506 1.00 2.00 H new ATOM 0 HG3 PRO A 33 -6.173 -3.843 -2.574 1.00 2.00 H new ATOM 0 HD2 PRO A 33 -8.155 -5.613 -3.145 1.00 2.00 H new ATOM 0 HD3 PRO A 33 -6.488 -6.040 -3.475 1.00 2.00 H new ATOM 523 N VAL A 34 -6.448 -6.333 2.043 1.00 2.00 N ATOM 524 CA VAL A 34 -6.971 -6.192 3.445 1.00 2.00 C ATOM 525 C VAL A 34 -6.982 -4.649 3.781 1.00 2.00 C ATOM 526 O VAL A 34 -7.965 -4.121 4.307 1.00 2.00 O ATOM 527 CB VAL A 34 -6.228 -7.137 4.449 1.00 2.00 C ATOM 528 CG1 VAL A 34 -6.375 -6.749 5.941 1.00 2.00 C ATOM 529 CG2 VAL A 34 -6.752 -8.585 4.327 1.00 2.00 C ATOM 0 H VAL A 34 -5.438 -6.466 1.998 1.00 2.00 H new ATOM 0 HA VAL A 34 -7.998 -6.544 3.544 1.00 2.00 H new ATOM 0 HB VAL A 34 -5.179 -7.041 4.168 1.00 2.00 H new ATOM 0 HG11 VAL A 34 -5.827 -7.461 6.558 1.00 2.00 H new ATOM 0 HG12 VAL A 34 -5.973 -5.748 6.098 1.00 2.00 H new ATOM 0 HG13 VAL A 34 -7.429 -6.764 6.219 1.00 2.00 H new ATOM 0 HG21 VAL A 34 -6.222 -9.224 5.033 1.00 2.00 H new ATOM 0 HG22 VAL A 34 -7.819 -8.606 4.549 1.00 2.00 H new ATOM 0 HG23 VAL A 34 -6.585 -8.948 3.313 1.00 2.00 H new ATOM 539 N LYS A 35 -5.872 -3.942 3.496 1.00 2.00 N ATOM 540 CA LYS A 35 -5.705 -2.491 3.733 1.00 2.00 C ATOM 541 C LYS A 35 -5.298 -1.810 2.385 1.00 2.00 C ATOM 542 O LYS A 35 -4.790 -2.408 1.432 1.00 2.00 O ATOM 543 CB LYS A 35 -4.710 -2.233 4.907 1.00 2.00 C ATOM 544 CG LYS A 35 -5.210 -1.262 6.002 1.00 2.00 C ATOM 545 CD LYS A 35 -6.273 -1.899 6.928 1.00 2.00 C ATOM 546 CE LYS A 35 -6.783 -0.963 8.037 1.00 2.00 C ATOM 547 NZ LYS A 35 -7.766 0.011 7.516 1.00 2.00 N ATOM 0 H LYS A 35 -5.044 -4.373 3.084 1.00 2.00 H new ATOM 0 HA LYS A 35 -6.642 -2.037 4.055 1.00 2.00 H new ATOM 0 HB2 LYS A 35 -4.471 -3.188 5.374 1.00 2.00 H new ATOM 0 HB3 LYS A 35 -3.781 -1.840 4.493 1.00 2.00 H new ATOM 0 HG2 LYS A 35 -4.363 -0.932 6.603 1.00 2.00 H new ATOM 0 HG3 LYS A 35 -5.631 -0.375 5.530 1.00 2.00 H new ATOM 0 HD2 LYS A 35 -7.120 -2.222 6.322 1.00 2.00 H new ATOM 0 HD3 LYS A 35 -5.850 -2.792 7.388 1.00 2.00 H new ATOM 0 HE2 LYS A 35 -7.240 -1.554 8.831 1.00 2.00 H new ATOM 0 HE3 LYS A 35 -5.942 -0.430 8.480 1.00 2.00 H new ATOM 0 HZ1 LYS A 35 -8.089 0.626 8.290 1.00 2.00 H new ATOM 0 HZ2 LYS A 35 -7.322 0.591 6.776 1.00 2.00 H new ATOM 0 HZ3 LYS A 35 -8.580 -0.498 7.115 1.00 2.00 H new ATOM 560 N ARG A 36 -5.592 -0.527 2.271 1.00 2.00 N ATOM 561 CA ARG A 36 -5.273 0.277 1.061 1.00 2.00 C ATOM 562 C ARG A 36 -4.856 1.634 1.722 1.00 2.00 C ATOM 563 O ARG A 36 -5.675 2.304 2.360 1.00 2.00 O ATOM 564 CB ARG A 36 -6.462 0.224 0.060 1.00 2.00 C ATOM 565 CG ARG A 36 -6.156 -0.413 -1.319 1.00 2.00 C ATOM 566 CD ARG A 36 -7.332 -0.729 -2.273 1.00 2.00 C ATOM 567 NE ARG A 36 -8.269 0.412 -2.485 1.00 2.00 N ATOM 568 CZ ARG A 36 -9.275 0.434 -3.354 1.00 2.00 C ATOM 569 NH1 ARG A 36 -9.387 -0.393 -4.354 1.00 2.00 N ATOM 570 NH2 ARG A 36 -10.194 1.329 -3.203 1.00 2.00 N ATOM 0 H ARG A 36 -6.059 0.005 3.005 1.00 2.00 H new ATOM 0 HA ARG A 36 -4.473 -0.051 0.397 1.00 2.00 H new ATOM 0 HB2 ARG A 36 -7.277 -0.332 0.523 1.00 2.00 H new ATOM 0 HB3 ARG A 36 -6.821 1.240 -0.102 1.00 2.00 H new ATOM 0 HG2 ARG A 36 -5.474 0.254 -1.846 1.00 2.00 H new ATOM 0 HG3 ARG A 36 -5.617 -1.344 -1.140 1.00 2.00 H new ATOM 0 HD2 ARG A 36 -6.930 -1.039 -3.238 1.00 2.00 H new ATOM 0 HD3 ARG A 36 -7.892 -1.575 -1.874 1.00 2.00 H new ATOM 0 HE ARG A 36 -8.126 1.246 -1.915 1.00 2.00 H new ATOM 0 HH11 ARG A 36 -8.677 -1.110 -4.505 1.00 2.00 H new ATOM 0 HH12 ARG A 36 -10.184 -0.324 -4.986 1.00 2.00 H new ATOM 0 HH21 ARG A 36 -10.136 1.995 -2.432 1.00 2.00 H new ATOM 0 HH22 ARG A 36 -10.978 1.370 -3.854 1.00 2.00 H new ATOM 584 N GLY A 37 -3.569 2.013 1.662 1.00 2.00 N ATOM 585 CA GLY A 37 -3.107 3.286 2.275 1.00 2.00 C ATOM 586 C GLY A 37 -2.038 4.114 1.545 1.00 2.00 C ATOM 587 O GLY A 37 -1.954 4.112 0.318 1.00 2.00 O ATOM 0 H GLY A 37 -2.835 1.472 1.205 1.00 2.00 H new ATOM 0 HA2 GLY A 37 -3.981 3.923 2.412 1.00 2.00 H new ATOM 0 HA3 GLY A 37 -2.723 3.054 3.268 1.00 2.00 H new ATOM 591 N CYS A 38 -1.268 4.883 2.327 1.00 2.00 N ATOM 592 CA CYS A 38 -0.182 5.751 1.810 1.00 2.00 C ATOM 593 C CYS A 38 1.177 5.503 2.540 1.00 2.00 C ATOM 594 O CYS A 38 1.271 5.574 3.768 1.00 2.00 O ATOM 595 CB CYS A 38 -0.650 7.212 1.882 1.00 2.00 C ATOM 596 SG CYS A 38 -1.104 7.736 3.537 1.00 2.00 S ATOM 0 H CYS A 38 -1.375 4.926 3.340 1.00 2.00 H new ATOM 0 HA CYS A 38 0.020 5.501 0.769 1.00 2.00 H new ATOM 0 HB2 CYS A 38 0.144 7.859 1.510 1.00 2.00 H new ATOM 0 HB3 CYS A 38 -1.506 7.344 1.220 1.00 2.00 H new ATOM 601 N ILE A 39 2.237 5.237 1.765 1.00 2.00 N ATOM 602 CA ILE A 39 3.612 4.968 2.291 1.00 2.00 C ATOM 603 C ILE A 39 4.745 5.467 1.322 1.00 2.00 C ATOM 604 O ILE A 39 4.492 6.003 0.247 1.00 2.00 O ATOM 605 CB ILE A 39 3.710 3.416 2.562 1.00 2.00 C ATOM 606 CG1 ILE A 39 4.844 2.982 3.533 1.00 2.00 C ATOM 607 CG2 ILE A 39 3.790 2.612 1.227 1.00 2.00 C ATOM 608 CD1 ILE A 39 4.791 3.613 4.935 1.00 2.00 C ATOM 0 H ILE A 39 2.180 5.199 0.747 1.00 2.00 H new ATOM 0 HA ILE A 39 3.769 5.530 3.212 1.00 2.00 H new ATOM 0 HB ILE A 39 2.783 3.172 3.081 1.00 2.00 H new ATOM 0 HG12 ILE A 39 4.812 1.898 3.640 1.00 2.00 H new ATOM 0 HG13 ILE A 39 5.803 3.229 3.078 1.00 2.00 H new ATOM 0 HG21 ILE A 39 3.857 1.547 1.447 1.00 2.00 H new ATOM 0 HG22 ILE A 39 2.897 2.804 0.632 1.00 2.00 H new ATOM 0 HG23 ILE A 39 4.672 2.923 0.668 1.00 2.00 H new ATOM 0 HD11 ILE A 39 5.625 3.244 5.532 1.00 2.00 H new ATOM 0 HD12 ILE A 39 4.858 4.697 4.849 1.00 2.00 H new ATOM 0 HD13 ILE A 39 3.852 3.345 5.419 1.00 2.00 H new ATOM 620 N ASP A 40 6.012 5.290 1.704 1.00 2.00 N ATOM 621 CA ASP A 40 7.211 5.694 0.912 1.00 2.00 C ATOM 622 C ASP A 40 7.918 4.494 0.189 1.00 2.00 C ATOM 623 O ASP A 40 8.275 4.644 -0.980 1.00 2.00 O ATOM 624 CB ASP A 40 8.177 6.550 1.781 1.00 2.00 C ATOM 625 CG ASP A 40 8.702 5.953 3.092 1.00 2.00 C ATOM 626 OD1 ASP A 40 7.983 5.373 3.900 1.00 2.00 O ATOM 627 OD2 ASP A 40 10.036 6.173 3.268 1.00 2.00 O ATOM 0 H ASP A 40 6.255 4.852 2.593 1.00 2.00 H new ATOM 0 HA ASP A 40 6.862 6.325 0.095 1.00 2.00 H new ATOM 0 HB2 ASP A 40 9.039 6.807 1.165 1.00 2.00 H new ATOM 0 HB3 ASP A 40 7.668 7.483 2.022 1.00 2.00 H new ATOM 633 N VAL A 41 8.119 3.329 0.847 1.00 2.00 N ATOM 634 CA VAL A 41 8.789 2.127 0.228 1.00 2.00 C ATOM 635 C VAL A 41 8.052 0.777 0.582 1.00 2.00 C ATOM 636 O VAL A 41 8.708 -0.263 0.662 1.00 2.00 O ATOM 637 CB VAL A 41 10.343 2.136 0.600 1.00 2.00 C ATOM 638 CG1 VAL A 41 11.214 1.186 -0.266 1.00 2.00 C ATOM 639 CG2 VAL A 41 11.104 3.492 0.516 1.00 2.00 C ATOM 0 H VAL A 41 7.830 3.181 1.814 1.00 2.00 H new ATOM 0 HA VAL A 41 8.712 2.193 -0.857 1.00 2.00 H new ATOM 0 HB VAL A 41 10.248 1.824 1.640 1.00 2.00 H new ATOM 0 HG11 VAL A 41 12.254 1.254 0.053 1.00 2.00 H new ATOM 0 HG12 VAL A 41 10.864 0.161 -0.146 1.00 2.00 H new ATOM 0 HG13 VAL A 41 11.136 1.475 -1.314 1.00 2.00 H new ATOM 0 HG21 VAL A 41 12.147 3.342 0.796 1.00 2.00 H new ATOM 0 HG22 VAL A 41 11.054 3.875 -0.503 1.00 2.00 H new ATOM 0 HG23 VAL A 41 10.645 4.210 1.196 1.00 2.00 H new ATOM 649 N CYS A 42 6.687 0.720 0.691 1.00 2.00 N ATOM 650 CA CYS A 42 5.913 -0.535 1.043 1.00 2.00 C ATOM 651 C CYS A 42 6.221 -0.617 2.625 1.00 2.00 C ATOM 652 O CYS A 42 7.400 -0.668 2.996 1.00 2.00 O ATOM 653 CB CYS A 42 6.140 -1.691 0.041 1.00 2.00 C ATOM 654 SG CYS A 42 6.339 -1.017 -1.642 1.00 2.00 S ATOM 0 H CYS A 42 6.089 1.532 0.540 1.00 2.00 H new ATOM 0 HA CYS A 42 4.831 -0.573 0.915 1.00 2.00 H new ATOM 0 HB2 CYS A 42 7.026 -2.260 0.322 1.00 2.00 H new ATOM 0 HB3 CYS A 42 5.296 -2.381 0.069 1.00 2.00 H new ATOM 659 N PRO A 43 5.304 -0.628 3.637 1.00 2.00 N ATOM 660 CA PRO A 43 5.708 -0.682 5.084 1.00 2.00 C ATOM 661 C PRO A 43 6.620 -1.715 5.825 1.00 2.00 C ATOM 662 O PRO A 43 6.915 -1.511 7.005 1.00 2.00 O ATOM 663 CB PRO A 43 4.334 -0.659 5.800 1.00 2.00 C ATOM 664 CG PRO A 43 3.296 -0.143 4.811 1.00 2.00 C ATOM 665 CD PRO A 43 3.840 -0.583 3.455 1.00 2.00 C ATOM 0 HA PRO A 43 6.454 0.112 5.119 1.00 2.00 H new ATOM 0 HB2 PRO A 43 4.068 -1.658 6.145 1.00 2.00 H new ATOM 0 HB3 PRO A 43 4.374 -0.017 6.680 1.00 2.00 H new ATOM 0 HG2 PRO A 43 2.311 -0.569 5.005 1.00 2.00 H new ATOM 0 HG3 PRO A 43 3.192 0.940 4.868 1.00 2.00 H new ATOM 0 HD2 PRO A 43 3.446 -1.558 3.168 1.00 2.00 H new ATOM 0 HD3 PRO A 43 3.560 0.118 2.669 1.00 2.00 H new ATOM 673 N LYS A 44 7.067 -2.753 5.127 1.00 2.00 N ATOM 674 CA LYS A 44 7.935 -3.862 5.625 1.00 2.00 C ATOM 675 C LYS A 44 6.924 -5.049 5.611 1.00 2.00 C ATOM 676 O LYS A 44 5.986 -5.131 6.416 1.00 2.00 O ATOM 677 CB LYS A 44 8.764 -3.801 6.941 1.00 2.00 C ATOM 678 CG LYS A 44 10.103 -3.039 6.817 1.00 2.00 C ATOM 679 CD LYS A 44 11.075 -3.428 7.950 1.00 2.00 C ATOM 680 CE LYS A 44 12.419 -2.695 7.870 1.00 2.00 C ATOM 681 NZ LYS A 44 13.348 -3.293 8.850 1.00 2.00 N ATOM 0 H LYS A 44 6.831 -2.868 4.141 1.00 2.00 H new ATOM 0 HA LYS A 44 8.819 -3.888 4.987 1.00 2.00 H new ATOM 0 HB2 LYS A 44 8.160 -3.327 7.715 1.00 2.00 H new ATOM 0 HB3 LYS A 44 8.968 -4.818 7.275 1.00 2.00 H new ATOM 0 HG2 LYS A 44 10.560 -3.257 5.852 1.00 2.00 H new ATOM 0 HG3 LYS A 44 9.917 -1.965 6.847 1.00 2.00 H new ATOM 0 HD2 LYS A 44 10.608 -3.213 8.911 1.00 2.00 H new ATOM 0 HD3 LYS A 44 11.252 -4.503 7.915 1.00 2.00 H new ATOM 0 HE2 LYS A 44 12.831 -2.772 6.864 1.00 2.00 H new ATOM 0 HE3 LYS A 44 12.283 -1.634 8.078 1.00 2.00 H new ATOM 0 HZ1 LYS A 44 14.264 -2.803 8.804 1.00 2.00 H new ATOM 0 HZ2 LYS A 44 12.952 -3.198 9.807 1.00 2.00 H new ATOM 0 HZ3 LYS A 44 13.483 -4.300 8.630 1.00 2.00 H new ATOM 694 N ASN A 45 7.066 -5.934 4.617 1.00 2.00 N ATOM 695 CA ASN A 45 6.178 -7.108 4.457 1.00 2.00 C ATOM 696 C ASN A 45 6.371 -8.274 5.485 1.00 2.00 C ATOM 697 O ASN A 45 7.304 -9.074 5.383 1.00 2.00 O ATOM 698 CB ASN A 45 6.277 -7.481 2.946 1.00 2.00 C ATOM 699 CG ASN A 45 7.543 -8.167 2.431 1.00 2.00 C ATOM 700 OD1 ASN A 45 8.553 -7.533 2.158 1.00 2.00 O ATOM 701 ND2 ASN A 45 7.512 -9.464 2.263 1.00 2.00 N ATOM 0 H ASN A 45 7.791 -5.864 3.903 1.00 2.00 H new ATOM 0 HA ASN A 45 5.151 -6.859 4.724 1.00 2.00 H new ATOM 0 HB2 ASN A 45 5.433 -8.130 2.712 1.00 2.00 H new ATOM 0 HB3 ASN A 45 6.143 -6.564 2.372 1.00 2.00 H new ATOM 0 HD21 ASN A 45 8.332 -9.951 1.903 1.00 2.00 H new ATOM 0 HD22 ASN A 45 6.667 -9.988 2.492 1.00 2.00 H new ATOM 708 N SER A 46 5.484 -8.346 6.491 1.00 2.00 N ATOM 709 CA SER A 46 5.545 -9.403 7.538 1.00 2.00 C ATOM 710 C SER A 46 4.905 -10.760 7.085 1.00 2.00 C ATOM 711 O SER A 46 4.402 -10.870 5.961 1.00 2.00 O ATOM 712 CB SER A 46 4.964 -8.778 8.834 1.00 2.00 C ATOM 713 OG SER A 46 5.196 -9.632 9.959 1.00 2.00 O ATOM 0 H SER A 46 4.713 -7.689 6.609 1.00 2.00 H new ATOM 0 HA SER A 46 6.572 -9.711 7.734 1.00 2.00 H new ATOM 0 HB2 SER A 46 5.422 -7.805 9.010 1.00 2.00 H new ATOM 0 HB3 SER A 46 3.894 -8.610 8.714 1.00 2.00 H new ATOM 0 HG SER A 46 4.824 -9.219 10.766 1.00 2.00 H new ATOM 719 N LEU A 47 4.917 -11.822 7.923 1.00 2.00 N ATOM 720 CA LEU A 47 4.309 -13.147 7.536 1.00 2.00 C ATOM 721 C LEU A 47 2.778 -13.146 7.127 1.00 2.00 C ATOM 722 O LEU A 47 2.266 -14.127 6.583 1.00 2.00 O ATOM 723 CB LEU A 47 4.788 -14.293 8.469 1.00 2.00 C ATOM 724 CG LEU A 47 4.501 -14.245 9.992 1.00 2.00 C ATOM 725 CD1 LEU A 47 3.019 -14.466 10.325 1.00 2.00 C ATOM 726 CD2 LEU A 47 5.324 -15.336 10.699 1.00 2.00 C ATOM 0 H LEU A 47 5.328 -11.805 8.856 1.00 2.00 H new ATOM 0 HA LEU A 47 4.726 -13.378 6.556 1.00 2.00 H new ATOM 0 HB2 LEU A 47 4.354 -15.218 8.090 1.00 2.00 H new ATOM 0 HB3 LEU A 47 5.868 -14.375 8.348 1.00 2.00 H new ATOM 0 HG LEU A 47 4.778 -13.249 10.337 1.00 2.00 H new ATOM 0 HD11 LEU A 47 2.878 -14.422 11.405 1.00 2.00 H new ATOM 0 HD12 LEU A 47 2.419 -13.690 9.849 1.00 2.00 H new ATOM 0 HD13 LEU A 47 2.705 -15.443 9.958 1.00 2.00 H new ATOM 0 HD21 LEU A 47 5.125 -15.305 11.770 1.00 2.00 H new ATOM 0 HD22 LEU A 47 5.046 -16.314 10.306 1.00 2.00 H new ATOM 0 HD23 LEU A 47 6.386 -15.163 10.522 1.00 2.00 H new ATOM 738 N LEU A 48 2.068 -12.039 7.402 1.00 2.00 N ATOM 739 CA LEU A 48 0.634 -11.834 7.086 1.00 2.00 C ATOM 740 C LEU A 48 0.434 -10.831 5.877 1.00 2.00 C ATOM 741 O LEU A 48 -0.721 -10.548 5.555 1.00 2.00 O ATOM 742 CB LEU A 48 -0.105 -11.274 8.342 1.00 2.00 C ATOM 743 CG LEU A 48 -0.096 -12.069 9.673 1.00 2.00 C ATOM 744 CD1 LEU A 48 -0.943 -11.333 10.724 1.00 2.00 C ATOM 745 CD2 LEU A 48 -0.618 -13.507 9.522 1.00 2.00 C ATOM 0 H LEU A 48 2.485 -11.232 7.866 1.00 2.00 H new ATOM 0 HA LEU A 48 0.218 -12.800 6.798 1.00 2.00 H new ATOM 0 HB2 LEU A 48 0.314 -10.290 8.551 1.00 2.00 H new ATOM 0 HB3 LEU A 48 -1.148 -11.124 8.063 1.00 2.00 H new ATOM 0 HG LEU A 48 0.945 -12.134 9.990 1.00 2.00 H new ATOM 0 HD11 LEU A 48 -0.934 -11.895 11.658 1.00 2.00 H new ATOM 0 HD12 LEU A 48 -0.528 -10.340 10.895 1.00 2.00 H new ATOM 0 HD13 LEU A 48 -1.968 -11.241 10.366 1.00 2.00 H new ATOM 0 HD21 LEU A 48 -0.586 -14.009 10.489 1.00 2.00 H new ATOM 0 HD22 LEU A 48 -1.645 -13.485 9.159 1.00 2.00 H new ATOM 0 HD23 LEU A 48 0.007 -14.048 8.811 1.00 2.00 H new ATOM 757 N VAL A 49 1.467 -10.301 5.164 1.00 2.00 N ATOM 758 CA VAL A 49 1.289 -9.343 4.022 1.00 2.00 C ATOM 759 C VAL A 49 2.465 -9.248 2.979 1.00 2.00 C ATOM 760 O VAL A 49 3.641 -9.404 3.303 1.00 2.00 O ATOM 761 CB VAL A 49 0.932 -7.927 4.627 1.00 2.00 C ATOM 762 CG1 VAL A 49 2.035 -7.270 5.489 1.00 2.00 C ATOM 763 CG2 VAL A 49 0.495 -6.890 3.577 1.00 2.00 C ATOM 0 H VAL A 49 2.444 -10.521 5.359 1.00 2.00 H new ATOM 0 HA VAL A 49 0.480 -9.745 3.413 1.00 2.00 H new ATOM 0 HB VAL A 49 0.095 -8.186 5.275 1.00 2.00 H new ATOM 0 HG11 VAL A 49 1.685 -6.304 5.853 1.00 2.00 H new ATOM 0 HG12 VAL A 49 2.267 -7.915 6.337 1.00 2.00 H new ATOM 0 HG13 VAL A 49 2.932 -7.127 4.886 1.00 2.00 H new ATOM 0 HG21 VAL A 49 0.267 -5.945 4.071 1.00 2.00 H new ATOM 0 HG22 VAL A 49 1.300 -6.739 2.858 1.00 2.00 H new ATOM 0 HG23 VAL A 49 -0.393 -7.250 3.057 1.00 2.00 H new ATOM 773 N LYS A 50 2.100 -8.947 1.721 1.00 2.00 N ATOM 774 CA LYS A 50 3.009 -8.787 0.548 1.00 2.00 C ATOM 775 C LYS A 50 2.390 -7.578 -0.259 1.00 2.00 C ATOM 776 O LYS A 50 1.804 -7.740 -1.331 1.00 2.00 O ATOM 777 CB LYS A 50 3.068 -10.128 -0.232 1.00 2.00 C ATOM 778 CG LYS A 50 4.134 -10.167 -1.357 1.00 2.00 C ATOM 779 CD LYS A 50 3.742 -11.060 -2.553 1.00 2.00 C ATOM 780 CE LYS A 50 2.771 -10.360 -3.522 1.00 2.00 C ATOM 781 NZ LYS A 50 2.408 -11.278 -4.616 1.00 2.00 N ATOM 0 H LYS A 50 1.122 -8.800 1.471 1.00 2.00 H new ATOM 0 HA LYS A 50 4.048 -8.565 0.793 1.00 2.00 H new ATOM 0 HB2 LYS A 50 3.270 -10.935 0.472 1.00 2.00 H new ATOM 0 HB3 LYS A 50 2.089 -10.324 -0.669 1.00 2.00 H new ATOM 0 HG2 LYS A 50 4.309 -9.152 -1.715 1.00 2.00 H new ATOM 0 HG3 LYS A 50 5.076 -10.525 -0.941 1.00 2.00 H new ATOM 0 HD2 LYS A 50 4.642 -11.352 -3.094 1.00 2.00 H new ATOM 0 HD3 LYS A 50 3.282 -11.976 -2.182 1.00 2.00 H new ATOM 0 HE2 LYS A 50 1.875 -10.044 -2.988 1.00 2.00 H new ATOM 0 HE3 LYS A 50 3.234 -9.461 -3.928 1.00 2.00 H new ATOM 0 HZ1 LYS A 50 1.753 -10.800 -5.267 1.00 2.00 H new ATOM 0 HZ2 LYS A 50 3.266 -11.559 -5.133 1.00 2.00 H new ATOM 0 HZ3 LYS A 50 1.949 -12.124 -4.222 1.00 2.00 H new ATOM 794 N TYR A 51 2.534 -6.340 0.249 1.00 2.00 N ATOM 795 CA TYR A 51 1.991 -5.106 -0.395 1.00 2.00 C ATOM 796 C TYR A 51 2.439 -4.690 -1.834 1.00 2.00 C ATOM 797 O TYR A 51 3.628 -4.553 -2.135 1.00 2.00 O ATOM 798 CB TYR A 51 2.115 -3.801 0.478 1.00 2.00 C ATOM 799 CG TYR A 51 2.424 -3.876 1.975 1.00 2.00 C ATOM 800 CD1 TYR A 51 3.730 -4.188 2.353 1.00 2.00 C ATOM 801 CD2 TYR A 51 1.476 -3.581 2.957 1.00 2.00 C ATOM 802 CE1 TYR A 51 4.069 -4.239 3.694 1.00 2.00 C ATOM 803 CE2 TYR A 51 1.824 -3.641 4.308 1.00 2.00 C ATOM 804 CZ TYR A 51 3.118 -3.993 4.675 1.00 2.00 C ATOM 805 OH TYR A 51 3.463 -4.080 5.998 1.00 2.00 O ATOM 0 H TYR A 51 3.030 -6.155 1.121 1.00 2.00 H new ATOM 0 HA TYR A 51 0.972 -5.482 -0.486 1.00 2.00 H new ATOM 0 HB2 TYR A 51 2.892 -3.186 0.023 1.00 2.00 H new ATOM 0 HB3 TYR A 51 1.176 -3.258 0.374 1.00 2.00 H new ATOM 0 HD1 TYR A 51 4.477 -4.390 1.599 1.00 2.00 H new ATOM 0 HD2 TYR A 51 0.472 -3.306 2.671 1.00 2.00 H new ATOM 0 HE1 TYR A 51 5.084 -4.473 3.980 1.00 2.00 H new ATOM 0 HE2 TYR A 51 1.089 -3.414 5.066 1.00 2.00 H new ATOM 0 HH TYR A 51 4.369 -4.444 6.076 1.00 2.00 H new ATOM 815 N VAL A 52 1.442 -4.405 -2.681 1.00 2.00 N ATOM 816 CA VAL A 52 1.648 -3.972 -4.094 1.00 2.00 C ATOM 817 C VAL A 52 1.461 -2.417 -3.936 1.00 2.00 C ATOM 818 O VAL A 52 0.435 -1.908 -3.476 1.00 2.00 O ATOM 819 CB VAL A 52 0.739 -4.758 -5.090 1.00 2.00 C ATOM 820 CG1 VAL A 52 0.590 -4.082 -6.470 1.00 2.00 C ATOM 821 CG2 VAL A 52 1.309 -6.174 -5.337 1.00 2.00 C ATOM 0 H VAL A 52 0.459 -4.465 -2.416 1.00 2.00 H new ATOM 0 HA VAL A 52 2.607 -4.194 -4.562 1.00 2.00 H new ATOM 0 HB VAL A 52 -0.241 -4.787 -4.614 1.00 2.00 H new ATOM 0 HG11 VAL A 52 -0.056 -4.689 -7.105 1.00 2.00 H new ATOM 0 HG12 VAL A 52 0.150 -3.093 -6.345 1.00 2.00 H new ATOM 0 HG13 VAL A 52 1.571 -3.987 -6.936 1.00 2.00 H new ATOM 0 HG21 VAL A 52 0.664 -6.709 -6.034 1.00 2.00 H new ATOM 0 HG22 VAL A 52 2.311 -6.094 -5.758 1.00 2.00 H new ATOM 0 HG23 VAL A 52 1.354 -6.718 -4.393 1.00 2.00 H new ATOM 831 N CYS A 53 2.485 -1.650 -4.302 1.00 2.00 N ATOM 832 CA CYS A 53 2.490 -0.172 -4.206 1.00 2.00 C ATOM 833 C CYS A 53 2.718 0.647 -5.531 1.00 2.00 C ATOM 834 O CYS A 53 3.622 0.350 -6.314 1.00 2.00 O ATOM 835 CB CYS A 53 3.598 0.029 -3.108 1.00 2.00 C ATOM 836 SG CYS A 53 4.795 -1.360 -2.894 1.00 2.00 S ATOM 0 H CYS A 53 3.352 -2.032 -4.680 1.00 2.00 H new ATOM 0 HA CYS A 53 1.508 0.234 -3.964 1.00 2.00 H new ATOM 0 HB2 CYS A 53 4.160 0.931 -3.349 1.00 2.00 H new ATOM 0 HB3 CYS A 53 3.105 0.207 -2.152 1.00 2.00 H new ATOM 841 N CYS A 54 1.913 1.715 -5.744 1.00 2.00 N ATOM 842 CA CYS A 54 1.996 2.601 -6.945 1.00 2.00 C ATOM 843 C CYS A 54 2.347 4.082 -6.559 1.00 2.00 C ATOM 844 O CYS A 54 1.597 4.741 -5.835 1.00 2.00 O ATOM 845 CB CYS A 54 0.658 2.442 -7.699 1.00 2.00 C ATOM 846 SG CYS A 54 -0.733 3.068 -6.732 1.00 2.00 S ATOM 0 H CYS A 54 1.182 1.993 -5.089 1.00 2.00 H new ATOM 0 HA CYS A 54 2.815 2.311 -7.603 1.00 2.00 H new ATOM 0 HB2 CYS A 54 0.710 2.975 -8.649 1.00 2.00 H new ATOM 0 HB3 CYS A 54 0.495 1.390 -7.932 1.00 2.00 H new ATOM 851 N ASN A 55 3.466 4.623 -7.063 1.00 2.00 N ATOM 852 CA ASN A 55 3.959 6.020 -6.791 1.00 2.00 C ATOM 853 C ASN A 55 3.155 7.315 -7.212 1.00 2.00 C ATOM 854 O ASN A 55 3.759 8.310 -7.629 1.00 2.00 O ATOM 855 CB ASN A 55 5.434 6.045 -7.314 1.00 2.00 C ATOM 856 CG ASN A 55 5.669 5.964 -8.832 1.00 2.00 C ATOM 857 OD1 ASN A 55 4.973 5.290 -9.580 1.00 2.00 O ATOM 858 ND2 ASN A 55 6.686 6.609 -9.338 1.00 2.00 N ATOM 0 H ASN A 55 4.082 4.105 -7.689 1.00 2.00 H new ATOM 0 HA ASN A 55 3.813 6.147 -5.718 1.00 2.00 H new ATOM 0 HB2 ASN A 55 5.899 6.962 -6.954 1.00 2.00 H new ATOM 0 HB3 ASN A 55 5.966 5.214 -6.850 1.00 2.00 H new ATOM 0 HD21 ASN A 55 6.885 6.544 -10.336 1.00 2.00 H new ATOM 0 HD22 ASN A 55 7.281 7.177 -8.735 1.00 2.00 H new ATOM 865 N THR A 56 1.818 7.359 -7.070 1.00 2.00 N ATOM 866 CA THR A 56 0.999 8.554 -7.448 1.00 2.00 C ATOM 867 C THR A 56 -0.365 8.664 -6.676 1.00 2.00 C ATOM 868 O THR A 56 -0.783 7.789 -5.910 1.00 2.00 O ATOM 869 CB THR A 56 0.895 8.673 -9.014 1.00 2.00 C ATOM 870 OG1 THR A 56 0.454 9.973 -9.388 1.00 2.00 O ATOM 871 CG2 THR A 56 -0.043 7.686 -9.724 1.00 2.00 C ATOM 0 H THR A 56 1.269 6.585 -6.696 1.00 2.00 H new ATOM 0 HA THR A 56 1.527 9.444 -7.106 1.00 2.00 H new ATOM 0 HB THR A 56 1.911 8.441 -9.335 1.00 2.00 H new ATOM 0 HG1 THR A 56 0.396 10.031 -10.365 1.00 2.00 H new ATOM 0 HG21 THR A 56 -0.024 7.874 -10.798 1.00 2.00 H new ATOM 0 HG22 THR A 56 0.287 6.666 -9.528 1.00 2.00 H new ATOM 0 HG23 THR A 56 -1.059 7.817 -9.351 1.00 2.00 H new ATOM 879 N ASP A 57 -1.057 9.796 -6.869 1.00 2.00 N ATOM 880 CA ASP A 57 -2.366 10.093 -6.228 1.00 2.00 C ATOM 881 C ASP A 57 -3.582 9.211 -6.677 1.00 2.00 C ATOM 882 O ASP A 57 -3.939 9.137 -7.854 1.00 2.00 O ATOM 883 CB ASP A 57 -2.676 11.594 -6.496 1.00 2.00 C ATOM 884 CG ASP A 57 -1.763 12.631 -5.835 1.00 2.00 C ATOM 885 OD1 ASP A 57 -1.158 12.461 -4.780 1.00 2.00 O ATOM 886 OD2 ASP A 57 -1.719 13.791 -6.542 1.00 2.00 O ATOM 0 H ASP A 57 -0.729 10.545 -7.479 1.00 2.00 H new ATOM 0 HA ASP A 57 -2.253 9.852 -5.171 1.00 2.00 H new ATOM 0 HB2 ASP A 57 -2.646 11.757 -7.573 1.00 2.00 H new ATOM 0 HB3 ASP A 57 -3.698 11.790 -6.172 1.00 2.00 H new ATOM 892 N ARG A 58 -4.209 8.542 -5.698 1.00 2.00 N ATOM 893 CA ARG A 58 -5.392 7.643 -5.873 1.00 2.00 C ATOM 894 C ARG A 58 -5.261 6.439 -6.879 1.00 2.00 C ATOM 895 O ARG A 58 -6.264 5.965 -7.417 1.00 2.00 O ATOM 896 CB ARG A 58 -6.660 8.550 -6.058 1.00 2.00 C ATOM 897 CG ARG A 58 -6.962 9.539 -4.888 1.00 2.00 C ATOM 898 CD ARG A 58 -8.350 10.211 -4.872 1.00 2.00 C ATOM 899 NE ARG A 58 -8.474 11.319 -5.868 1.00 2.00 N ATOM 900 CZ ARG A 58 -9.116 11.253 -7.029 1.00 2.00 C ATOM 901 NH1 ARG A 58 -9.649 10.161 -7.497 1.00 2.00 N ATOM 902 NH2 ARG A 58 -9.215 12.334 -7.735 1.00 2.00 N ATOM 0 H ARG A 58 -3.908 8.604 -4.726 1.00 2.00 H new ATOM 0 HA ARG A 58 -5.486 7.053 -4.961 1.00 2.00 H new ATOM 0 HB2 ARG A 58 -6.541 9.127 -6.975 1.00 2.00 H new ATOM 0 HB3 ARG A 58 -7.528 7.905 -6.198 1.00 2.00 H new ATOM 0 HG2 ARG A 58 -6.837 8.999 -3.949 1.00 2.00 H new ATOM 0 HG3 ARG A 58 -6.207 10.325 -4.907 1.00 2.00 H new ATOM 0 HD2 ARG A 58 -9.113 9.460 -5.075 1.00 2.00 H new ATOM 0 HD3 ARG A 58 -8.546 10.603 -3.874 1.00 2.00 H new ATOM 0 HE ARG A 58 -8.025 12.205 -5.635 1.00 2.00 H new ATOM 0 HH11 ARG A 58 -9.585 9.294 -6.964 1.00 2.00 H new ATOM 0 HH12 ARG A 58 -10.130 10.173 -8.396 1.00 2.00 H new ATOM 0 HH21 ARG A 58 -8.806 13.204 -7.395 1.00 2.00 H new ATOM 0 HH22 ARG A 58 -9.702 12.315 -8.631 1.00 2.00 H new ATOM 916 N CYS A 59 -4.042 5.902 -7.079 1.00 2.00 N ATOM 917 CA CYS A 59 -3.788 4.758 -8.004 1.00 2.00 C ATOM 918 C CYS A 59 -3.981 3.303 -7.422 1.00 2.00 C ATOM 919 O CYS A 59 -3.571 2.319 -8.042 1.00 2.00 O ATOM 920 CB CYS A 59 -2.370 5.007 -8.559 1.00 2.00 C ATOM 921 SG CYS A 59 -1.117 4.964 -7.260 1.00 2.00 S ATOM 0 H CYS A 59 -3.202 6.241 -6.610 1.00 2.00 H new ATOM 0 HA CYS A 59 -4.558 4.750 -8.776 1.00 2.00 H new ATOM 0 HB2 CYS A 59 -2.138 4.253 -9.311 1.00 2.00 H new ATOM 0 HB3 CYS A 59 -2.341 5.975 -9.058 1.00 2.00 H new ATOM 926 N ASN A 60 -4.635 3.156 -6.258 1.00 2.00 N ATOM 927 CA ASN A 60 -4.892 1.859 -5.589 1.00 2.00 C ATOM 928 C ASN A 60 -6.407 1.485 -5.571 1.00 2.00 C ATOM 929 O ASN A 60 -7.294 2.224 -5.142 1.00 2.00 O ATOM 930 CB ASN A 60 -4.247 1.889 -4.175 1.00 2.00 C ATOM 931 CG ASN A 60 -4.670 2.963 -3.154 1.00 2.00 C ATOM 932 OD1 ASN A 60 -5.259 3.995 -3.454 1.00 2.00 O ATOM 933 ND2 ASN A 60 -4.313 2.800 -1.909 1.00 2.00 N ATOM 934 OXT ASN A 60 -6.653 0.216 -6.037 1.00 0.00 O ATOM 0 H ASN A 60 -5.010 3.950 -5.740 1.00 2.00 H new ATOM 0 HA ASN A 60 -4.425 1.059 -6.163 1.00 2.00 H new ATOM 0 HB2 ASN A 60 -4.428 0.917 -3.716 1.00 2.00 H new ATOM 0 HB3 ASN A 60 -3.170 1.980 -4.313 1.00 2.00 H new ATOM 0 HD21 ASN A 60 -4.526 3.520 -1.219 1.00 2.00 H new ATOM 0 HD22 ASN A 60 -3.821 1.952 -1.626 1.00 2.00 H new