USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 672 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 9 SER OG : rot 53:sc= -1.05! USER MOD Set 1.2: A 29 MET CE :methyl -112:sc= -1.72 (180deg=-5!) USER MOD Set 2.1: A 20 SER OG : rot 111:sc= 1.07 USER MOD Set 2.2: A 23 LYS NZ :NH3+ -144:sc= 0.0291 (180deg=0) USER MOD Set 3.1: A 10 SER OG : rot -25:sc= -1.42! USER MOD Set 3.2: A 14 THR OG1 : rot -70:sc= -3.63! USER MOD Single : A 1 GLY N :NH3+ -177:sc= -0.148 (180deg=-0.165) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 CYS SG : rot -133:sc= -15.3! USER MOD Single : A 13 LYS NZ :NH3+ -110:sc= -2.65! (180deg=-8.68!) USER MOD Single : A 15 TYR OH : rot 180:sc= -6.63! USER MOD Single : A 16 CYS SG : rot -150:sc= -5.36! USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.466 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.352 K(o=-0.35,f=-2.9!) USER MOD Single : A 35 LYS NZ :NH3+ -119:sc= -3.92! (180deg=-5.14!) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 170:sc= -1.27 USER MOD Single : A 43 SER OG : rot -29:sc= -1.54! USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -98:sc= 0.899 USER MOD Single : A 55 THR OG1 : rot 150:sc= -15.7! USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.479 X(o=-0.48,f=-0.23) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 146:sc= -0.131 (180deg=-0.993) USER MOD Single : A 73 THR OG1 : rot 96:sc= 1.15 USER MOD Single : A 82 LYS NZ :NH3+ -150:sc= -0.92! (180deg=-2.76!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.600 -6.550 13.506 1.00 0.00 N ATOM 2 CA GLY A 1 10.694 -6.909 12.428 1.00 0.00 C ATOM 3 C GLY A 1 9.541 -5.908 12.324 1.00 0.00 C ATOM 4 O GLY A 1 8.719 -5.996 11.414 1.00 0.00 O ATOM 0 H1 GLY A 1 12.400 -7.215 13.523 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.955 -5.585 13.354 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.094 -6.594 14.414 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.240 -6.940 11.485 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.297 -7.910 12.600 1.00 0.00 H new ATOM 8 N GLU A 2 9.519 -4.981 13.270 1.00 0.00 N ATOM 9 CA GLU A 2 8.480 -3.965 13.296 1.00 0.00 C ATOM 10 C GLU A 2 8.506 -3.145 12.005 1.00 0.00 C ATOM 11 O GLU A 2 7.773 -2.166 11.872 1.00 0.00 O ATOM 12 CB GLU A 2 8.628 -3.061 14.522 1.00 0.00 C ATOM 13 CG GLU A 2 7.477 -3.278 15.506 1.00 0.00 C ATOM 14 CD GLU A 2 6.235 -2.494 15.078 1.00 0.00 C ATOM 15 OE1 GLU A 2 6.088 -2.165 13.892 1.00 0.00 O ATOM 16 OE2 GLU A 2 5.404 -2.228 16.028 1.00 0.00 O ATOM 0 H GLU A 2 10.203 -4.912 14.023 1.00 0.00 H new ATOM 0 HA GLU A 2 7.513 -4.464 13.367 1.00 0.00 H new ATOM 0 HB2 GLU A 2 9.577 -3.266 15.017 1.00 0.00 H new ATOM 0 HB3 GLU A 2 8.651 -2.017 14.208 1.00 0.00 H new ATOM 0 HG2 GLU A 2 7.239 -4.340 15.564 1.00 0.00 H new ATOM 0 HG3 GLU A 2 7.783 -2.965 16.504 1.00 0.00 H new ATOM 24 N ALA A 3 9.358 -3.576 11.085 1.00 0.00 N ATOM 25 CA ALA A 3 9.488 -2.894 9.809 1.00 0.00 C ATOM 26 C ALA A 3 8.529 -3.526 8.798 1.00 0.00 C ATOM 27 O ALA A 3 7.748 -2.824 8.156 1.00 0.00 O ATOM 28 CB ALA A 3 10.945 -2.953 9.346 1.00 0.00 C ATOM 0 H ALA A 3 9.964 -4.388 11.198 1.00 0.00 H new ATOM 0 HA ALA A 3 9.218 -1.842 9.906 1.00 0.00 H new ATOM 0 HB1 ALA A 3 11.044 -2.441 8.389 1.00 0.00 H new ATOM 0 HB2 ALA A 3 11.582 -2.466 10.085 1.00 0.00 H new ATOM 0 HB3 ALA A 3 11.249 -3.994 9.234 1.00 0.00 H new ATOM 34 N VAL A 4 8.619 -4.843 8.687 1.00 0.00 N ATOM 35 CA VAL A 4 7.769 -5.576 7.765 1.00 0.00 C ATOM 36 C VAL A 4 6.336 -5.051 7.872 1.00 0.00 C ATOM 37 O VAL A 4 5.588 -5.077 6.896 1.00 0.00 O ATOM 38 CB VAL A 4 7.877 -7.078 8.036 1.00 0.00 C ATOM 39 CG1 VAL A 4 8.672 -7.779 6.933 1.00 0.00 C ATOM 40 CG2 VAL A 4 8.495 -7.345 9.411 1.00 0.00 C ATOM 0 H VAL A 4 9.268 -5.421 9.221 1.00 0.00 H new ATOM 0 HA VAL A 4 8.096 -5.420 6.737 1.00 0.00 H new ATOM 0 HB VAL A 4 6.868 -7.491 8.036 1.00 0.00 H new ATOM 0 HG11 VAL A 4 8.734 -8.845 7.150 1.00 0.00 H new ATOM 0 HG12 VAL A 4 8.173 -7.632 5.975 1.00 0.00 H new ATOM 0 HG13 VAL A 4 9.677 -7.360 6.886 1.00 0.00 H new ATOM 0 HG21 VAL A 4 8.560 -8.420 9.578 1.00 0.00 H new ATOM 0 HG22 VAL A 4 9.494 -6.910 9.452 1.00 0.00 H new ATOM 0 HG23 VAL A 4 7.872 -6.895 10.184 1.00 0.00 H new ATOM 50 N ILE A 5 5.997 -4.586 9.065 1.00 0.00 N ATOM 51 CA ILE A 5 4.668 -4.055 9.312 1.00 0.00 C ATOM 52 C ILE A 5 4.670 -2.547 9.057 1.00 0.00 C ATOM 53 O ILE A 5 4.050 -2.073 8.106 1.00 0.00 O ATOM 54 CB ILE A 5 4.187 -4.442 10.712 1.00 0.00 C ATOM 55 CG1 ILE A 5 4.761 -5.796 11.134 1.00 0.00 C ATOM 56 CG2 ILE A 5 2.660 -4.416 10.795 1.00 0.00 C ATOM 57 CD1 ILE A 5 6.244 -5.899 10.773 1.00 0.00 C ATOM 0 H ILE A 5 6.621 -4.566 9.872 1.00 0.00 H new ATOM 0 HA ILE A 5 3.948 -4.494 8.621 1.00 0.00 H new ATOM 0 HB ILE A 5 4.560 -3.700 11.418 1.00 0.00 H new ATOM 0 HG12 ILE A 5 4.634 -5.930 12.208 1.00 0.00 H new ATOM 0 HG13 ILE A 5 4.208 -6.598 10.645 1.00 0.00 H new ATOM 0 HG21 ILE A 5 2.345 -4.695 11.801 1.00 0.00 H new ATOM 0 HG22 ILE A 5 2.300 -3.413 10.568 1.00 0.00 H new ATOM 0 HG23 ILE A 5 2.244 -5.122 10.076 1.00 0.00 H new ATOM 0 HD11 ILE A 5 6.627 -6.871 11.084 1.00 0.00 H new ATOM 0 HD12 ILE A 5 6.365 -5.789 9.695 1.00 0.00 H new ATOM 0 HD13 ILE A 5 6.798 -5.111 11.282 1.00 0.00 H new ATOM 69 N LYS A 6 5.374 -1.833 9.924 1.00 0.00 N ATOM 70 CA LYS A 6 5.465 -0.388 9.804 1.00 0.00 C ATOM 71 C LYS A 6 5.722 -0.017 8.343 1.00 0.00 C ATOM 72 O LYS A 6 5.406 1.093 7.916 1.00 0.00 O ATOM 73 CB LYS A 6 6.513 0.164 10.773 1.00 0.00 C ATOM 74 CG LYS A 6 6.353 1.676 10.950 1.00 0.00 C ATOM 75 CD LYS A 6 6.660 2.095 12.389 1.00 0.00 C ATOM 76 CE LYS A 6 5.406 2.631 13.082 1.00 0.00 C ATOM 77 NZ LYS A 6 4.471 1.527 13.390 1.00 0.00 N ATOM 0 H LYS A 6 5.886 -2.229 10.712 1.00 0.00 H new ATOM 0 HA LYS A 6 4.522 0.079 10.090 1.00 0.00 H new ATOM 0 HB2 LYS A 6 6.417 -0.331 11.739 1.00 0.00 H new ATOM 0 HB3 LYS A 6 7.512 -0.058 10.399 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.021 2.199 10.265 1.00 0.00 H new ATOM 0 HG3 LYS A 6 5.336 1.971 10.691 1.00 0.00 H new ATOM 0 HD2 LYS A 6 7.051 1.242 12.944 1.00 0.00 H new ATOM 0 HD3 LYS A 6 7.436 2.860 12.391 1.00 0.00 H new ATOM 0 HE2 LYS A 6 5.684 3.147 14.001 1.00 0.00 H new ATOM 0 HE3 LYS A 6 4.915 3.363 12.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 3.626 1.909 13.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 4.192 1.052 12.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 4.937 0.842 14.019 1.00 0.00 H new ATOM 90 N VAL A 7 6.294 -0.966 7.616 1.00 0.00 N ATOM 91 CA VAL A 7 6.597 -0.752 6.211 1.00 0.00 C ATOM 92 C VAL A 7 5.290 -0.638 5.423 1.00 0.00 C ATOM 93 O VAL A 7 4.919 0.450 4.985 1.00 0.00 O ATOM 94 CB VAL A 7 7.510 -1.867 5.697 1.00 0.00 C ATOM 95 CG1 VAL A 7 6.821 -3.230 5.799 1.00 0.00 C ATOM 96 CG2 VAL A 7 7.962 -1.588 4.263 1.00 0.00 C ATOM 0 H VAL A 7 6.556 -1.885 7.974 1.00 0.00 H new ATOM 0 HA VAL A 7 7.140 0.183 6.076 1.00 0.00 H new ATOM 0 HB VAL A 7 8.398 -1.891 6.329 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.491 -4.005 5.427 1.00 0.00 H new ATOM 0 HG12 VAL A 7 6.572 -3.435 6.840 1.00 0.00 H new ATOM 0 HG13 VAL A 7 5.909 -3.222 5.202 1.00 0.00 H new ATOM 0 HG21 VAL A 7 8.610 -2.396 3.922 1.00 0.00 H new ATOM 0 HG22 VAL A 7 7.090 -1.523 3.613 1.00 0.00 H new ATOM 0 HG23 VAL A 7 8.509 -0.646 4.231 1.00 0.00 H new ATOM 106 N ILE A 8 4.629 -1.775 5.267 1.00 0.00 N ATOM 107 CA ILE A 8 3.372 -1.816 4.540 1.00 0.00 C ATOM 108 C ILE A 8 2.495 -0.642 4.979 1.00 0.00 C ATOM 109 O ILE A 8 1.846 -0.005 4.151 1.00 0.00 O ATOM 110 CB ILE A 8 2.701 -3.181 4.707 1.00 0.00 C ATOM 111 CG1 ILE A 8 2.470 -3.849 3.350 1.00 0.00 C ATOM 112 CG2 ILE A 8 1.407 -3.061 5.514 1.00 0.00 C ATOM 113 CD1 ILE A 8 1.663 -2.939 2.421 1.00 0.00 C ATOM 0 H ILE A 8 4.940 -2.675 5.632 1.00 0.00 H new ATOM 0 HA ILE A 8 3.547 -1.701 3.470 1.00 0.00 H new ATOM 0 HB ILE A 8 3.375 -3.825 5.272 1.00 0.00 H new ATOM 0 HG12 ILE A 8 3.429 -4.086 2.889 1.00 0.00 H new ATOM 0 HG13 ILE A 8 1.942 -4.792 3.490 1.00 0.00 H new ATOM 0 HG21 ILE A 8 0.950 -4.045 5.618 1.00 0.00 H new ATOM 0 HG22 ILE A 8 1.630 -2.659 6.502 1.00 0.00 H new ATOM 0 HG23 ILE A 8 0.717 -2.394 4.998 1.00 0.00 H new ATOM 0 HD11 ILE A 8 1.513 -3.438 1.463 1.00 0.00 H new ATOM 0 HD12 ILE A 8 0.695 -2.724 2.873 1.00 0.00 H new ATOM 0 HD13 ILE A 8 2.205 -2.007 2.264 1.00 0.00 H new ATOM 125 N SER A 9 2.505 -0.392 6.280 1.00 0.00 N ATOM 126 CA SER A 9 1.718 0.695 6.839 1.00 0.00 C ATOM 127 C SER A 9 2.269 2.039 6.361 1.00 0.00 C ATOM 128 O SER A 9 1.595 2.767 5.633 1.00 0.00 O ATOM 129 CB SER A 9 1.709 0.638 8.368 1.00 0.00 C ATOM 130 OG SER A 9 2.414 -0.496 8.864 1.00 0.00 O ATOM 0 H SER A 9 3.045 -0.923 6.963 1.00 0.00 H new ATOM 0 HA SER A 9 0.690 0.587 6.492 1.00 0.00 H new ATOM 0 HB2 SER A 9 2.158 1.547 8.767 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.679 0.609 8.724 1.00 0.00 H new ATOM 0 HG SER A 9 3.314 -0.517 8.476 1.00 0.00 H new ATOM 136 N SER A 10 3.489 2.329 6.789 1.00 0.00 N ATOM 137 CA SER A 10 4.138 3.573 6.413 1.00 0.00 C ATOM 138 C SER A 10 4.384 3.601 4.903 1.00 0.00 C ATOM 139 O SER A 10 4.106 4.601 4.244 1.00 0.00 O ATOM 140 CB SER A 10 5.456 3.757 7.169 1.00 0.00 C ATOM 141 OG SER A 10 5.504 4.999 7.865 1.00 0.00 O ATOM 0 H SER A 10 4.045 1.723 7.393 1.00 0.00 H new ATOM 0 HA SER A 10 3.478 4.397 6.682 1.00 0.00 H new ATOM 0 HB2 SER A 10 5.584 2.939 7.878 1.00 0.00 H new ATOM 0 HB3 SER A 10 6.287 3.703 6.466 1.00 0.00 H new ATOM 0 HG SER A 10 4.906 5.642 7.429 1.00 0.00 H new ATOM 147 N ALA A 11 4.902 2.490 4.400 1.00 0.00 N ATOM 148 CA ALA A 11 5.188 2.375 2.980 1.00 0.00 C ATOM 149 C ALA A 11 3.936 2.743 2.181 1.00 0.00 C ATOM 150 O ALA A 11 4.027 3.095 1.005 1.00 0.00 O ATOM 151 CB ALA A 11 5.681 0.959 2.672 1.00 0.00 C ATOM 0 H ALA A 11 5.131 1.662 4.950 1.00 0.00 H new ATOM 0 HA ALA A 11 5.979 3.066 2.690 1.00 0.00 H new ATOM 0 HB1 ALA A 11 5.896 0.872 1.607 1.00 0.00 H new ATOM 0 HB2 ALA A 11 6.588 0.757 3.243 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.911 0.238 2.947 1.00 0.00 H new ATOM 157 N CYS A 12 2.796 2.649 2.850 1.00 0.00 N ATOM 158 CA CYS A 12 1.528 2.967 2.216 1.00 0.00 C ATOM 159 C CYS A 12 1.433 4.487 2.069 1.00 0.00 C ATOM 160 O CYS A 12 1.381 5.004 0.954 1.00 0.00 O ATOM 161 CB CYS A 12 0.345 2.395 3.000 1.00 0.00 C ATOM 162 SG CYS A 12 -1.225 2.811 2.156 1.00 0.00 S ATOM 0 H CYS A 12 2.724 2.357 3.825 1.00 0.00 H new ATOM 0 HA CYS A 12 1.485 2.504 1.230 1.00 0.00 H new ATOM 0 HB2 CYS A 12 0.445 1.313 3.087 1.00 0.00 H new ATOM 0 HB3 CYS A 12 0.341 2.797 4.013 1.00 0.00 H new ATOM 0 HG CYS A 12 -2.080 3.259 3.027 1.00 0.00 H new ATOM 168 N LYS A 13 1.414 5.160 3.210 1.00 0.00 N ATOM 169 CA LYS A 13 1.326 6.610 3.222 1.00 0.00 C ATOM 170 C LYS A 13 2.736 7.202 3.267 1.00 0.00 C ATOM 171 O LYS A 13 3.046 8.134 2.526 1.00 0.00 O ATOM 172 CB LYS A 13 0.424 7.083 4.365 1.00 0.00 C ATOM 173 CG LYS A 13 -0.815 7.799 3.824 1.00 0.00 C ATOM 174 CD LYS A 13 -0.664 9.318 3.938 1.00 0.00 C ATOM 175 CE LYS A 13 -1.472 9.862 5.117 1.00 0.00 C ATOM 176 NZ LYS A 13 -0.749 9.636 6.389 1.00 0.00 N ATOM 0 H LYS A 13 1.458 4.728 4.133 1.00 0.00 H new ATOM 0 HA LYS A 13 0.857 6.970 2.306 1.00 0.00 H new ATOM 0 HB2 LYS A 13 0.120 6.229 4.970 1.00 0.00 H new ATOM 0 HB3 LYS A 13 0.981 7.755 5.018 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -0.973 7.523 2.781 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -1.697 7.475 4.377 1.00 0.00 H new ATOM 0 HD2 LYS A 13 0.388 9.574 4.064 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -0.998 9.791 3.014 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -1.654 10.928 4.980 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -2.446 9.374 5.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -1.246 8.913 6.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 0.218 9.312 6.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -0.711 10.524 6.929 1.00 0.00 H new ATOM 189 N THR A 14 3.553 6.637 4.143 1.00 0.00 N ATOM 190 CA THR A 14 4.923 7.096 4.294 1.00 0.00 C ATOM 191 C THR A 14 5.684 6.947 2.975 1.00 0.00 C ATOM 192 O THR A 14 6.638 7.680 2.718 1.00 0.00 O ATOM 193 CB THR A 14 5.557 6.323 5.452 1.00 0.00 C ATOM 194 OG1 THR A 14 4.513 6.227 6.418 1.00 0.00 O ATOM 195 CG2 THR A 14 6.650 7.124 6.163 1.00 0.00 C ATOM 0 H THR A 14 3.292 5.865 4.756 1.00 0.00 H new ATOM 0 HA THR A 14 4.959 8.158 4.536 1.00 0.00 H new ATOM 0 HB THR A 14 5.977 5.389 5.078 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.342 7.111 6.804 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.066 6.529 6.976 1.00 0.00 H new ATOM 0 HG22 THR A 14 7.439 7.372 5.453 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.224 8.042 6.567 1.00 0.00 H new ATOM 203 N TYR A 15 5.234 5.992 2.174 1.00 0.00 N ATOM 204 CA TYR A 15 5.861 5.738 0.888 1.00 0.00 C ATOM 205 C TYR A 15 5.524 6.843 -0.114 1.00 0.00 C ATOM 206 O TYR A 15 6.370 7.680 -0.427 1.00 0.00 O ATOM 207 CB TYR A 15 5.274 4.416 0.388 1.00 0.00 C ATOM 208 CG TYR A 15 6.201 3.638 -0.548 1.00 0.00 C ATOM 209 CD1 TYR A 15 7.130 4.311 -1.315 1.00 0.00 C ATOM 210 CD2 TYR A 15 6.109 2.263 -0.623 1.00 0.00 C ATOM 211 CE1 TYR A 15 8.003 3.578 -2.196 1.00 0.00 C ATOM 212 CE2 TYR A 15 6.982 1.530 -1.503 1.00 0.00 C ATOM 213 CZ TYR A 15 7.886 2.224 -2.246 1.00 0.00 C ATOM 214 OH TYR A 15 8.710 1.532 -3.077 1.00 0.00 O ATOM 0 H TYR A 15 4.443 5.385 2.391 1.00 0.00 H new ATOM 0 HA TYR A 15 6.946 5.703 0.990 1.00 0.00 H new ATOM 0 HB2 TYR A 15 5.033 3.790 1.247 1.00 0.00 H new ATOM 0 HB3 TYR A 15 4.338 4.619 -0.131 1.00 0.00 H new ATOM 0 HD1 TYR A 15 7.203 5.387 -1.255 1.00 0.00 H new ATOM 0 HD2 TYR A 15 5.382 1.737 -0.022 1.00 0.00 H new ATOM 0 HE1 TYR A 15 8.734 4.092 -2.803 1.00 0.00 H new ATOM 0 HE2 TYR A 15 6.920 0.454 -1.572 1.00 0.00 H new ATOM 0 HH TYR A 15 8.514 0.574 -3.009 1.00 0.00 H new ATOM 224 N CYS A 16 4.288 6.811 -0.590 1.00 0.00 N ATOM 225 CA CYS A 16 3.830 7.800 -1.551 1.00 0.00 C ATOM 226 C CYS A 16 2.937 8.803 -0.818 1.00 0.00 C ATOM 227 O CYS A 16 1.913 9.232 -1.349 1.00 0.00 O ATOM 228 CB CYS A 16 3.108 7.149 -2.732 1.00 0.00 C ATOM 229 SG CYS A 16 3.840 7.724 -4.308 1.00 0.00 S ATOM 0 H CYS A 16 3.589 6.116 -0.328 1.00 0.00 H new ATOM 0 HA CYS A 16 4.687 8.322 -1.977 1.00 0.00 H new ATOM 0 HB2 CYS A 16 3.183 6.064 -2.661 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.047 7.398 -2.702 1.00 0.00 H new ATOM 0 HG CYS A 16 2.929 7.722 -5.236 1.00 0.00 H new ATOM 235 N GLY A 17 3.357 9.149 0.390 1.00 0.00 N ATOM 236 CA GLY A 17 2.608 10.094 1.200 1.00 0.00 C ATOM 237 C GLY A 17 3.458 10.614 2.362 1.00 0.00 C ATOM 238 O GLY A 17 2.974 11.377 3.197 1.00 0.00 O ATOM 0 H GLY A 17 4.206 8.792 0.827 1.00 0.00 H new ATOM 0 HA2 GLY A 17 2.281 10.930 0.581 1.00 0.00 H new ATOM 0 HA3 GLY A 17 1.710 9.614 1.588 1.00 0.00 H new ATOM 242 N LYS A 18 4.709 10.180 2.379 1.00 0.00 N ATOM 243 CA LYS A 18 5.630 10.591 3.424 1.00 0.00 C ATOM 244 C LYS A 18 5.325 12.036 3.827 1.00 0.00 C ATOM 245 O LYS A 18 4.773 12.801 3.037 1.00 0.00 O ATOM 246 CB LYS A 18 7.078 10.369 2.981 1.00 0.00 C ATOM 247 CG LYS A 18 7.725 11.685 2.543 1.00 0.00 C ATOM 248 CD LYS A 18 8.471 12.342 3.705 1.00 0.00 C ATOM 249 CE LYS A 18 9.972 12.054 3.627 1.00 0.00 C ATOM 250 NZ LYS A 18 10.720 13.286 3.291 1.00 0.00 N ATOM 0 H LYS A 18 5.107 9.547 1.685 1.00 0.00 H new ATOM 0 HA LYS A 18 5.496 9.976 4.314 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.650 9.933 3.800 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.105 9.655 2.158 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.416 11.499 1.721 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.959 12.364 2.168 1.00 0.00 H new ATOM 0 HD2 LYS A 18 8.302 13.419 3.687 1.00 0.00 H new ATOM 0 HD3 LYS A 18 8.075 11.973 4.651 1.00 0.00 H new ATOM 0 HE2 LYS A 18 10.322 11.658 4.580 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.163 11.289 2.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 11.737 13.072 3.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 10.398 13.648 2.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 10.552 14.005 4.024 1.00 0.00 H new ATOM 263 N THR A 19 5.698 12.365 5.055 1.00 0.00 N ATOM 264 CA THR A 19 5.471 13.704 5.572 1.00 0.00 C ATOM 265 C THR A 19 3.976 13.948 5.782 1.00 0.00 C ATOM 266 O THR A 19 3.561 15.069 6.075 1.00 0.00 O ATOM 267 CB THR A 19 6.120 14.699 4.608 1.00 0.00 C ATOM 268 OG1 THR A 19 7.397 14.960 5.185 1.00 0.00 O ATOM 269 CG2 THR A 19 5.423 16.061 4.615 1.00 0.00 C ATOM 0 H THR A 19 6.156 11.728 5.707 1.00 0.00 H new ATOM 0 HA THR A 19 5.930 13.833 6.552 1.00 0.00 H new ATOM 0 HB THR A 19 6.104 14.288 3.598 1.00 0.00 H new ATOM 0 HG1 THR A 19 7.887 15.596 4.622 1.00 0.00 H new ATOM 0 HG21 THR A 19 5.923 16.729 3.914 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.381 15.938 4.319 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.468 16.487 5.617 1.00 0.00 H new ATOM 277 N SER A 20 3.207 12.881 5.624 1.00 0.00 N ATOM 278 CA SER A 20 1.766 12.965 5.792 1.00 0.00 C ATOM 279 C SER A 20 1.408 12.898 7.278 1.00 0.00 C ATOM 280 O SER A 20 2.094 12.238 8.057 1.00 0.00 O ATOM 281 CB SER A 20 1.055 11.849 5.025 1.00 0.00 C ATOM 282 OG SER A 20 0.756 12.230 3.684 1.00 0.00 O ATOM 0 H SER A 20 3.555 11.953 5.381 1.00 0.00 H new ATOM 0 HA SER A 20 1.430 13.919 5.386 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.682 10.958 5.017 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.132 11.585 5.541 1.00 0.00 H new ATOM 0 HG SER A 20 1.313 11.713 3.065 1.00 0.00 H new ATOM 288 N PRO A 21 0.306 13.610 7.637 1.00 0.00 N ATOM 289 CA PRO A 21 -0.151 13.638 9.016 1.00 0.00 C ATOM 290 C PRO A 21 -0.835 12.323 9.393 1.00 0.00 C ATOM 291 O PRO A 21 -0.453 11.677 10.368 1.00 0.00 O ATOM 292 CB PRO A 21 -1.082 14.837 9.098 1.00 0.00 C ATOM 293 CG PRO A 21 -1.475 15.157 7.665 1.00 0.00 C ATOM 294 CD PRO A 21 -0.531 14.405 6.742 1.00 0.00 C ATOM 0 HA PRO A 21 0.668 13.737 9.729 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -1.960 14.609 9.702 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -0.585 15.687 9.566 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -2.507 14.862 7.478 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -1.412 16.230 7.483 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -1.080 13.771 6.045 1.00 0.00 H new ATOM 0 HD3 PRO A 21 0.069 15.091 6.144 1.00 0.00 H new ATOM 302 N SER A 22 -1.835 11.964 8.601 1.00 0.00 N ATOM 303 CA SER A 22 -2.576 10.738 8.839 1.00 0.00 C ATOM 304 C SER A 22 -3.873 10.743 8.027 1.00 0.00 C ATOM 305 O SER A 22 -4.753 11.569 8.261 1.00 0.00 O ATOM 306 CB SER A 22 -2.884 10.560 10.328 1.00 0.00 C ATOM 307 OG SER A 22 -4.184 10.018 10.543 1.00 0.00 O ATOM 0 H SER A 22 -2.149 12.502 7.793 1.00 0.00 H new ATOM 0 HA SER A 22 -1.958 9.899 8.520 1.00 0.00 H new ATOM 0 HB2 SER A 22 -2.139 9.903 10.776 1.00 0.00 H new ATOM 0 HB3 SER A 22 -2.805 11.523 10.832 1.00 0.00 H new ATOM 0 HG SER A 22 -4.342 9.918 11.505 1.00 0.00 H new ATOM 313 N LYS A 23 -3.949 9.811 7.088 1.00 0.00 N ATOM 314 CA LYS A 23 -5.123 9.698 6.239 1.00 0.00 C ATOM 315 C LYS A 23 -5.455 8.219 6.030 1.00 0.00 C ATOM 316 O LYS A 23 -5.825 7.523 6.974 1.00 0.00 O ATOM 317 CB LYS A 23 -4.918 10.473 4.935 1.00 0.00 C ATOM 318 CG LYS A 23 -4.577 11.938 5.216 1.00 0.00 C ATOM 319 CD LYS A 23 -4.538 12.749 3.920 1.00 0.00 C ATOM 320 CE LYS A 23 -3.153 13.360 3.697 1.00 0.00 C ATOM 321 NZ LYS A 23 -2.408 12.595 2.672 1.00 0.00 N ATOM 0 H LYS A 23 -3.217 9.127 6.897 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.988 10.154 6.721 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.116 10.014 4.357 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.822 10.416 4.328 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -5.317 12.364 5.894 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.611 12.001 5.718 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -4.796 12.108 3.077 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.287 13.540 3.959 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -3.254 14.399 3.382 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -2.595 13.363 4.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -1.400 12.566 2.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -2.781 11.625 2.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -2.520 13.055 1.746 1.00 0.00 H new ATOM 334 N LYS A 24 -5.312 7.784 4.787 1.00 0.00 N ATOM 335 CA LYS A 24 -5.592 6.400 4.442 1.00 0.00 C ATOM 336 C LYS A 24 -4.311 5.575 4.581 1.00 0.00 C ATOM 337 O LYS A 24 -4.181 4.516 3.968 1.00 0.00 O ATOM 338 CB LYS A 24 -6.232 6.313 3.055 1.00 0.00 C ATOM 339 CG LYS A 24 -7.251 7.435 2.850 1.00 0.00 C ATOM 340 CD LYS A 24 -8.613 6.871 2.438 1.00 0.00 C ATOM 341 CE LYS A 24 -9.681 7.198 3.484 1.00 0.00 C ATOM 342 NZ LYS A 24 -10.858 6.317 3.316 1.00 0.00 N ATOM 0 H LYS A 24 -5.006 8.365 4.006 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.321 5.975 5.132 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.459 6.375 2.289 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.721 5.346 2.936 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -7.355 8.009 3.771 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -6.891 8.122 2.084 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.905 7.285 1.473 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.540 5.791 2.313 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -9.268 7.075 4.485 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -9.984 8.241 3.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -11.573 6.552 4.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -11.262 6.454 2.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -10.568 5.325 3.429 1.00 0.00 H new ATOM 355 N GLU A 25 -3.398 6.090 5.391 1.00 0.00 N ATOM 356 CA GLU A 25 -2.132 5.414 5.618 1.00 0.00 C ATOM 357 C GLU A 25 -2.366 3.925 5.882 1.00 0.00 C ATOM 358 O GLU A 25 -2.347 3.116 4.956 1.00 0.00 O ATOM 359 CB GLU A 25 -1.364 6.062 6.772 1.00 0.00 C ATOM 360 CG GLU A 25 -0.125 5.241 7.134 1.00 0.00 C ATOM 361 CD GLU A 25 -0.014 5.055 8.649 1.00 0.00 C ATOM 362 OE1 GLU A 25 -0.746 5.708 9.409 1.00 0.00 O ATOM 363 OE2 GLU A 25 0.869 4.196 9.030 1.00 0.00 O ATOM 0 H GLU A 25 -3.510 6.968 5.898 1.00 0.00 H new ATOM 0 HA GLU A 25 -1.523 5.512 4.719 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -1.066 7.073 6.493 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -2.014 6.150 7.643 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.175 4.267 6.647 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.769 5.740 6.759 1.00 0.00 H new ATOM 371 N ILE A 26 -2.580 3.609 7.151 1.00 0.00 N ATOM 372 CA ILE A 26 -2.817 2.232 7.549 1.00 0.00 C ATOM 373 C ILE A 26 -3.956 1.651 6.708 1.00 0.00 C ATOM 374 O ILE A 26 -3.964 0.459 6.406 1.00 0.00 O ATOM 375 CB ILE A 26 -3.059 2.144 9.057 1.00 0.00 C ATOM 376 CG1 ILE A 26 -1.888 2.746 9.837 1.00 0.00 C ATOM 377 CG2 ILE A 26 -3.352 0.704 9.482 1.00 0.00 C ATOM 378 CD1 ILE A 26 -2.071 2.546 11.342 1.00 0.00 C ATOM 0 H ILE A 26 -2.594 4.283 7.917 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.934 1.622 7.355 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.942 2.736 9.296 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.956 2.282 9.516 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.807 3.810 9.615 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.520 0.669 10.558 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.242 0.346 8.964 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.503 0.069 9.227 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.225 2.983 11.873 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.992 3.032 11.664 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.127 1.480 11.563 1.00 0.00 H new ATOM 390 N GLY A 27 -4.891 2.521 6.354 1.00 0.00 N ATOM 391 CA GLY A 27 -6.032 2.110 5.555 1.00 0.00 C ATOM 392 C GLY A 27 -5.583 1.312 4.329 1.00 0.00 C ATOM 393 O GLY A 27 -5.693 0.087 4.307 1.00 0.00 O ATOM 0 H GLY A 27 -4.881 3.509 6.606 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -6.706 1.504 6.161 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -6.593 2.989 5.236 1.00 0.00 H new ATOM 397 N ALA A 28 -5.087 2.038 3.338 1.00 0.00 N ATOM 398 CA ALA A 28 -4.621 1.413 2.112 1.00 0.00 C ATOM 399 C ALA A 28 -3.670 0.266 2.459 1.00 0.00 C ATOM 400 O ALA A 28 -3.808 -0.839 1.936 1.00 0.00 O ATOM 401 CB ALA A 28 -3.963 2.467 1.220 1.00 0.00 C ATOM 0 H ALA A 28 -4.998 3.054 3.359 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.457 0.990 1.555 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -3.613 1.998 0.300 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.689 3.244 0.978 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -3.117 2.911 1.745 1.00 0.00 H new ATOM 407 N MET A 29 -2.726 0.568 3.338 1.00 0.00 N ATOM 408 CA MET A 29 -1.752 -0.424 3.761 1.00 0.00 C ATOM 409 C MET A 29 -2.409 -1.794 3.943 1.00 0.00 C ATOM 410 O MET A 29 -1.913 -2.797 3.431 1.00 0.00 O ATOM 411 CB MET A 29 -1.115 0.016 5.081 1.00 0.00 C ATOM 412 CG MET A 29 -0.875 -1.183 6.001 1.00 0.00 C ATOM 413 SD MET A 29 -1.917 -1.061 7.445 1.00 0.00 S ATOM 414 CE MET A 29 -0.781 -1.636 8.696 1.00 0.00 C ATOM 0 H MET A 29 -2.615 1.486 3.769 1.00 0.00 H new ATOM 0 HA MET A 29 -0.988 -0.508 2.989 1.00 0.00 H new ATOM 0 HB2 MET A 29 -0.170 0.521 4.882 1.00 0.00 H new ATOM 0 HB3 MET A 29 -1.763 0.737 5.579 1.00 0.00 H new ATOM 0 HG2 MET A 29 -1.086 -2.110 5.467 1.00 0.00 H new ATOM 0 HG3 MET A 29 0.173 -1.219 6.300 1.00 0.00 H new ATOM 0 HE1 MET A 29 -1.119 -2.599 9.080 1.00 0.00 H new ATOM 0 HE2 MET A 29 0.213 -1.747 8.262 1.00 0.00 H new ATOM 0 HE3 MET A 29 -0.742 -0.914 9.511 1.00 0.00 H new ATOM 424 N LEU A 30 -3.514 -1.793 4.673 1.00 0.00 N ATOM 425 CA LEU A 30 -4.244 -3.023 4.929 1.00 0.00 C ATOM 426 C LEU A 30 -5.336 -3.193 3.871 1.00 0.00 C ATOM 427 O LEU A 30 -5.372 -4.201 3.167 1.00 0.00 O ATOM 428 CB LEU A 30 -4.770 -3.045 6.365 1.00 0.00 C ATOM 429 CG LEU A 30 -4.141 -4.085 7.295 1.00 0.00 C ATOM 430 CD1 LEU A 30 -2.634 -4.193 7.055 1.00 0.00 C ATOM 431 CD2 LEU A 30 -4.469 -3.782 8.758 1.00 0.00 C ATOM 0 H LEU A 30 -3.922 -0.959 5.096 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.581 -3.884 4.844 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.618 -2.058 6.801 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.846 -3.218 6.334 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.575 -5.058 7.064 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.211 -4.939 7.728 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.450 -4.491 6.023 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.165 -3.227 7.243 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.010 -4.536 9.397 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.081 -2.798 9.022 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.550 -3.796 8.899 1.00 0.00 H new ATOM 443 N SER A 31 -6.199 -2.191 3.792 1.00 0.00 N ATOM 444 CA SER A 31 -7.289 -2.217 2.832 1.00 0.00 C ATOM 445 C SER A 31 -6.746 -2.507 1.431 1.00 0.00 C ATOM 446 O SER A 31 -7.382 -3.212 0.649 1.00 0.00 O ATOM 447 CB SER A 31 -8.060 -0.895 2.838 1.00 0.00 C ATOM 448 OG SER A 31 -9.318 -1.007 2.176 1.00 0.00 O ATOM 0 H SER A 31 -6.165 -1.356 4.377 1.00 0.00 H new ATOM 0 HA SER A 31 -7.979 -3.011 3.120 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.219 -0.573 3.867 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.462 -0.124 2.352 1.00 0.00 H new ATOM 0 HG SER A 31 -9.780 -0.143 2.203 1.00 0.00 H new ATOM 454 N LEU A 32 -5.576 -1.950 1.157 1.00 0.00 N ATOM 455 CA LEU A 32 -4.940 -2.141 -0.135 1.00 0.00 C ATOM 456 C LEU A 32 -4.520 -3.605 -0.281 1.00 0.00 C ATOM 457 O LEU A 32 -5.069 -4.333 -1.106 1.00 0.00 O ATOM 458 CB LEU A 32 -3.789 -1.150 -0.317 1.00 0.00 C ATOM 459 CG LEU A 32 -4.016 -0.040 -1.346 1.00 0.00 C ATOM 460 CD1 LEU A 32 -4.105 -0.614 -2.761 1.00 0.00 C ATOM 461 CD2 LEU A 32 -5.247 0.796 -0.988 1.00 0.00 C ATOM 0 H LEU A 32 -5.051 -1.366 1.808 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.643 -1.929 -0.941 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.579 -0.687 0.647 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.898 -1.708 -0.604 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.155 0.628 -1.323 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.266 0.196 -3.473 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.176 -1.130 -3.003 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.936 -1.317 -2.817 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.386 1.578 -1.735 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.128 0.155 -0.966 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.105 1.252 -0.008 1.00 0.00 H new ATOM 473 N LEU A 33 -3.550 -3.993 0.534 1.00 0.00 N ATOM 474 CA LEU A 33 -3.049 -5.356 0.506 1.00 0.00 C ATOM 475 C LEU A 33 -4.135 -6.304 1.022 1.00 0.00 C ATOM 476 O LEU A 33 -4.404 -7.336 0.410 1.00 0.00 O ATOM 477 CB LEU A 33 -1.729 -5.459 1.273 1.00 0.00 C ATOM 478 CG LEU A 33 -0.594 -4.562 0.775 1.00 0.00 C ATOM 479 CD1 LEU A 33 0.256 -5.283 -0.273 1.00 0.00 C ATOM 480 CD2 LEU A 33 -1.136 -3.229 0.256 1.00 0.00 C ATOM 0 H LEU A 33 -3.098 -3.387 1.218 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.821 -5.656 -0.517 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.920 -5.223 2.320 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.390 -6.494 1.237 1.00 0.00 H new ATOM 0 HG LEU A 33 0.059 -4.337 1.619 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.055 -4.623 -0.610 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.689 -6.182 0.165 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.370 -5.558 -1.122 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.309 -2.610 -0.092 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.824 -3.413 -0.569 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.662 -2.713 1.059 1.00 0.00 H new ATOM 492 N GLN A 34 -4.728 -5.918 2.142 1.00 0.00 N ATOM 493 CA GLN A 34 -5.778 -6.721 2.747 1.00 0.00 C ATOM 494 C GLN A 34 -7.037 -6.689 1.879 1.00 0.00 C ATOM 495 O GLN A 34 -8.051 -7.292 2.227 1.00 0.00 O ATOM 496 CB GLN A 34 -6.081 -6.245 4.169 1.00 0.00 C ATOM 497 CG GLN A 34 -6.534 -7.409 5.052 1.00 0.00 C ATOM 498 CD GLN A 34 -8.053 -7.398 5.238 1.00 0.00 C ATOM 499 OE1 GLN A 34 -8.736 -6.440 4.916 1.00 0.00 O ATOM 500 NE2 GLN A 34 -8.541 -8.514 5.772 1.00 0.00 N ATOM 0 H GLN A 34 -4.502 -5.061 2.646 1.00 0.00 H new ATOM 0 HA GLN A 34 -5.430 -7.752 2.810 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -5.192 -5.782 4.599 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -6.857 -5.480 4.143 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -6.226 -8.353 4.602 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -6.045 -7.345 6.024 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -7.913 -9.279 6.019 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -9.544 -8.605 5.935 1.00 0.00 H new ATOM 509 N LYS A 35 -6.931 -5.980 0.764 1.00 0.00 N ATOM 510 CA LYS A 35 -8.049 -5.862 -0.157 1.00 0.00 C ATOM 511 C LYS A 35 -7.540 -6.018 -1.591 1.00 0.00 C ATOM 512 O LYS A 35 -8.151 -5.507 -2.529 1.00 0.00 O ATOM 513 CB LYS A 35 -8.809 -4.558 0.088 1.00 0.00 C ATOM 514 CG LYS A 35 -10.321 -4.787 0.039 1.00 0.00 C ATOM 515 CD LYS A 35 -10.711 -5.614 -1.187 1.00 0.00 C ATOM 516 CE LYS A 35 -11.981 -6.425 -0.920 1.00 0.00 C ATOM 517 NZ LYS A 35 -12.673 -6.737 -2.191 1.00 0.00 N ATOM 0 H LYS A 35 -6.088 -5.482 0.478 1.00 0.00 H new ATOM 0 HA LYS A 35 -8.771 -6.661 0.014 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -8.531 -4.148 1.059 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -8.525 -3.821 -0.663 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -10.644 -5.299 0.945 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -10.837 -3.827 0.014 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.869 -4.954 -2.040 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -9.895 -6.286 -1.451 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -11.727 -7.349 -0.401 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -12.647 -5.864 -0.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -13.623 -6.315 -2.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -12.129 -6.347 -2.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -12.753 -7.768 -2.298 1.00 0.00 H new ATOM 530 N GLU A 36 -6.427 -6.725 -1.717 1.00 0.00 N ATOM 531 CA GLU A 36 -5.830 -6.955 -3.022 1.00 0.00 C ATOM 532 C GLU A 36 -5.262 -8.373 -3.104 1.00 0.00 C ATOM 533 O GLU A 36 -4.556 -8.709 -4.054 1.00 0.00 O ATOM 534 CB GLU A 36 -4.749 -5.914 -3.320 1.00 0.00 C ATOM 535 CG GLU A 36 -5.274 -4.834 -4.269 1.00 0.00 C ATOM 536 CD GLU A 36 -4.827 -3.443 -3.817 1.00 0.00 C ATOM 537 OE1 GLU A 36 -5.435 -2.862 -2.905 1.00 0.00 O ATOM 538 OE2 GLU A 36 -3.809 -2.965 -4.449 1.00 0.00 O ATOM 0 H GLU A 36 -5.923 -7.146 -0.937 1.00 0.00 H new ATOM 0 HA GLU A 36 -6.607 -6.852 -3.779 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.415 -5.455 -2.390 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.881 -6.402 -3.764 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.913 -5.026 -5.279 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.363 -4.876 -4.307 1.00 0.00 H new ATOM 546 N GLY A 37 -5.592 -9.167 -2.096 1.00 0.00 N ATOM 547 CA GLY A 37 -5.124 -10.542 -2.042 1.00 0.00 C ATOM 548 C GLY A 37 -3.641 -10.602 -1.670 1.00 0.00 C ATOM 549 O GLY A 37 -2.905 -11.448 -2.176 1.00 0.00 O ATOM 0 H GLY A 37 -6.178 -8.885 -1.310 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.709 -11.101 -1.311 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -5.280 -11.021 -3.008 1.00 0.00 H new ATOM 553 N LEU A 38 -3.247 -9.694 -0.789 1.00 0.00 N ATOM 554 CA LEU A 38 -1.866 -9.633 -0.344 1.00 0.00 C ATOM 555 C LEU A 38 -1.821 -9.738 1.182 1.00 0.00 C ATOM 556 O LEU A 38 -0.961 -9.137 1.824 1.00 0.00 O ATOM 557 CB LEU A 38 -1.180 -8.382 -0.895 1.00 0.00 C ATOM 558 CG LEU A 38 -0.335 -8.580 -2.156 1.00 0.00 C ATOM 559 CD1 LEU A 38 -1.170 -9.188 -3.285 1.00 0.00 C ATOM 560 CD2 LEU A 38 0.334 -7.271 -2.578 1.00 0.00 C ATOM 0 H LEU A 38 -3.861 -8.994 -0.372 1.00 0.00 H new ATOM 0 HA LEU A 38 -1.301 -10.478 -0.739 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.946 -7.636 -1.108 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.541 -7.969 -0.115 1.00 0.00 H new ATOM 0 HG LEU A 38 0.461 -9.289 -1.927 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.546 -9.318 -4.169 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.559 -10.156 -2.969 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.001 -8.523 -3.522 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.928 -7.439 -3.476 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.430 -6.522 -2.784 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.982 -6.918 -1.775 1.00 0.00 H new ATOM 572 N LEU A 39 -2.759 -10.505 1.718 1.00 0.00 N ATOM 573 CA LEU A 39 -2.837 -10.696 3.157 1.00 0.00 C ATOM 574 C LEU A 39 -2.217 -12.046 3.522 1.00 0.00 C ATOM 575 O LEU A 39 -2.876 -13.080 3.434 1.00 0.00 O ATOM 576 CB LEU A 39 -4.279 -10.530 3.641 1.00 0.00 C ATOM 577 CG LEU A 39 -5.359 -10.563 2.557 1.00 0.00 C ATOM 578 CD1 LEU A 39 -5.414 -11.934 1.881 1.00 0.00 C ATOM 579 CD2 LEU A 39 -6.718 -10.149 3.125 1.00 0.00 C ATOM 0 H LEU A 39 -3.471 -11.001 1.182 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.261 -9.930 3.676 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -4.492 -11.319 4.362 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.356 -9.582 4.173 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.096 -9.835 1.789 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -6.189 -11.931 1.115 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.450 -12.152 1.421 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.642 -12.698 2.625 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.468 -10.181 2.334 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.003 -10.835 3.923 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.653 -9.136 3.523 1.00 0.00 H new ATOM 591 N MET A 40 -0.956 -11.991 3.926 1.00 0.00 N ATOM 592 CA MET A 40 -0.239 -13.197 4.305 1.00 0.00 C ATOM 593 C MET A 40 0.719 -12.923 5.466 1.00 0.00 C ATOM 594 O MET A 40 1.040 -13.826 6.237 1.00 0.00 O ATOM 595 CB MET A 40 0.551 -13.721 3.104 1.00 0.00 C ATOM 596 CG MET A 40 1.164 -15.090 3.407 1.00 0.00 C ATOM 597 SD MET A 40 2.817 -14.889 4.050 1.00 0.00 S ATOM 598 CE MET A 40 3.766 -15.440 2.642 1.00 0.00 C ATOM 0 H MET A 40 -0.413 -11.131 3.999 1.00 0.00 H new ATOM 0 HA MET A 40 -0.966 -13.943 4.626 1.00 0.00 H new ATOM 0 HB2 MET A 40 -0.105 -13.796 2.237 1.00 0.00 H new ATOM 0 HB3 MET A 40 1.340 -13.014 2.846 1.00 0.00 H new ATOM 0 HG2 MET A 40 0.546 -15.623 4.130 1.00 0.00 H new ATOM 0 HG3 MET A 40 1.188 -15.695 2.501 1.00 0.00 H new ATOM 0 HE1 MET A 40 4.829 -15.379 2.874 1.00 0.00 H new ATOM 0 HE2 MET A 40 3.504 -16.472 2.408 1.00 0.00 H new ATOM 0 HE3 MET A 40 3.545 -14.806 1.783 1.00 0.00 H new ATOM 608 N SER A 41 1.148 -11.672 5.555 1.00 0.00 N ATOM 609 CA SER A 41 2.063 -11.268 6.609 1.00 0.00 C ATOM 610 C SER A 41 2.820 -10.006 6.189 1.00 0.00 C ATOM 611 O SER A 41 2.903 -9.694 5.002 1.00 0.00 O ATOM 612 CB SER A 41 3.047 -12.390 6.945 1.00 0.00 C ATOM 613 OG SER A 41 4.353 -11.890 7.220 1.00 0.00 O ATOM 0 H SER A 41 0.879 -10.925 4.914 1.00 0.00 H new ATOM 0 HA SER A 41 1.480 -11.054 7.504 1.00 0.00 H new ATOM 0 HB2 SER A 41 2.682 -12.946 7.809 1.00 0.00 H new ATOM 0 HB3 SER A 41 3.095 -13.091 6.112 1.00 0.00 H new ATOM 0 HG SER A 41 4.909 -12.610 7.585 1.00 0.00 H new ATOM 619 N PRO A 42 3.366 -9.296 7.212 1.00 0.00 N ATOM 620 CA PRO A 42 4.113 -8.076 6.961 1.00 0.00 C ATOM 621 C PRO A 42 5.499 -8.388 6.393 1.00 0.00 C ATOM 622 O PRO A 42 6.286 -7.479 6.132 1.00 0.00 O ATOM 623 CB PRO A 42 4.168 -7.365 8.304 1.00 0.00 C ATOM 624 CG PRO A 42 3.858 -8.424 9.349 1.00 0.00 C ATOM 625 CD PRO A 42 3.287 -9.635 8.630 1.00 0.00 C ATOM 0 HA PRO A 42 3.643 -7.443 6.209 1.00 0.00 H new ATOM 0 HB2 PRO A 42 5.151 -6.925 8.473 1.00 0.00 H new ATOM 0 HB3 PRO A 42 3.444 -6.552 8.345 1.00 0.00 H new ATOM 0 HG2 PRO A 42 4.760 -8.696 9.897 1.00 0.00 H new ATOM 0 HG3 PRO A 42 3.145 -8.042 10.079 1.00 0.00 H new ATOM 0 HD2 PRO A 42 3.859 -10.535 8.854 1.00 0.00 H new ATOM 0 HD3 PRO A 42 2.258 -9.827 8.934 1.00 0.00 H new ATOM 633 N SER A 43 5.755 -9.676 6.218 1.00 0.00 N ATOM 634 CA SER A 43 7.032 -10.120 5.685 1.00 0.00 C ATOM 635 C SER A 43 7.228 -9.570 4.271 1.00 0.00 C ATOM 636 O SER A 43 8.345 -9.559 3.755 1.00 0.00 O ATOM 637 CB SER A 43 7.125 -11.647 5.679 1.00 0.00 C ATOM 638 OG SER A 43 7.898 -12.139 6.770 1.00 0.00 O ATOM 0 H SER A 43 5.100 -10.427 6.436 1.00 0.00 H new ATOM 0 HA SER A 43 7.824 -9.738 6.329 1.00 0.00 H new ATOM 0 HB2 SER A 43 6.122 -12.071 5.725 1.00 0.00 H new ATOM 0 HB3 SER A 43 7.569 -11.979 4.741 1.00 0.00 H new ATOM 0 HG SER A 43 8.570 -11.471 7.022 1.00 0.00 H new ATOM 644 N ASP A 44 6.126 -9.127 3.685 1.00 0.00 N ATOM 645 CA ASP A 44 6.163 -8.577 2.340 1.00 0.00 C ATOM 646 C ASP A 44 7.336 -7.602 2.225 1.00 0.00 C ATOM 647 O ASP A 44 7.825 -7.340 1.127 1.00 0.00 O ATOM 648 CB ASP A 44 4.878 -7.810 2.023 1.00 0.00 C ATOM 649 CG ASP A 44 4.536 -7.708 0.535 1.00 0.00 C ATOM 650 OD1 ASP A 44 4.512 -8.717 -0.185 1.00 0.00 O ATOM 651 OD2 ASP A 44 4.283 -6.515 0.115 1.00 0.00 O ATOM 0 H ASP A 44 5.202 -9.137 4.116 1.00 0.00 H new ATOM 0 HA ASP A 44 6.270 -9.405 1.640 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.048 -8.293 2.539 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.964 -6.803 2.430 1.00 0.00 H new ATOM 657 N LEU A 45 7.754 -7.090 3.374 1.00 0.00 N ATOM 658 CA LEU A 45 8.861 -6.150 3.415 1.00 0.00 C ATOM 659 C LEU A 45 10.182 -6.922 3.401 1.00 0.00 C ATOM 660 O LEU A 45 11.176 -6.448 2.853 1.00 0.00 O ATOM 661 CB LEU A 45 8.715 -5.203 4.609 1.00 0.00 C ATOM 662 CG LEU A 45 10.011 -4.830 5.331 1.00 0.00 C ATOM 663 CD1 LEU A 45 9.851 -3.517 6.100 1.00 0.00 C ATOM 664 CD2 LEU A 45 10.483 -5.970 6.236 1.00 0.00 C ATOM 0 H LEU A 45 7.346 -7.309 4.283 1.00 0.00 H new ATOM 0 HA LEU A 45 8.854 -5.514 2.530 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.238 -4.286 4.264 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.039 -5.662 5.331 1.00 0.00 H new ATOM 0 HG LEU A 45 10.786 -4.672 4.581 1.00 0.00 H new ATOM 0 HD11 LEU A 45 10.786 -3.274 6.604 1.00 0.00 H new ATOM 0 HD12 LEU A 45 9.595 -2.717 5.405 1.00 0.00 H new ATOM 0 HD13 LEU A 45 9.057 -3.623 6.839 1.00 0.00 H new ATOM 0 HD21 LEU A 45 11.406 -5.678 6.737 1.00 0.00 H new ATOM 0 HD22 LEU A 45 9.717 -6.184 6.982 1.00 0.00 H new ATOM 0 HD23 LEU A 45 10.663 -6.861 5.635 1.00 0.00 H new ATOM 676 N TYR A 46 10.149 -8.098 4.009 1.00 0.00 N ATOM 677 CA TYR A 46 11.331 -8.941 4.073 1.00 0.00 C ATOM 678 C TYR A 46 11.879 -9.224 2.673 1.00 0.00 C ATOM 679 O TYR A 46 12.984 -9.745 2.528 1.00 0.00 O ATOM 680 CB TYR A 46 10.877 -10.257 4.707 1.00 0.00 C ATOM 681 CG TYR A 46 10.747 -10.202 6.230 1.00 0.00 C ATOM 682 CD1 TYR A 46 11.174 -9.085 6.919 1.00 0.00 C ATOM 683 CD2 TYR A 46 10.203 -11.269 6.915 1.00 0.00 C ATOM 684 CE1 TYR A 46 11.052 -9.033 8.353 1.00 0.00 C ATOM 685 CE2 TYR A 46 10.080 -11.217 8.349 1.00 0.00 C ATOM 686 CZ TYR A 46 10.511 -10.102 8.997 1.00 0.00 C ATOM 687 OH TYR A 46 10.395 -10.053 10.352 1.00 0.00 O ATOM 0 H TYR A 46 9.322 -8.488 4.462 1.00 0.00 H new ATOM 0 HA TYR A 46 12.120 -8.453 4.645 1.00 0.00 H new ATOM 0 HB2 TYR A 46 9.915 -10.541 4.281 1.00 0.00 H new ATOM 0 HB3 TYR A 46 11.587 -11.040 4.441 1.00 0.00 H new ATOM 0 HD1 TYR A 46 11.600 -8.250 6.383 1.00 0.00 H new ATOM 0 HD2 TYR A 46 9.869 -12.143 6.376 1.00 0.00 H new ATOM 0 HE1 TYR A 46 11.382 -8.165 8.904 1.00 0.00 H new ATOM 0 HE2 TYR A 46 9.655 -12.045 8.897 1.00 0.00 H new ATOM 0 HH TYR A 46 9.991 -10.885 10.676 1.00 0.00 H new ATOM 697 N SER A 47 11.080 -8.870 1.677 1.00 0.00 N ATOM 698 CA SER A 47 11.471 -9.080 0.293 1.00 0.00 C ATOM 699 C SER A 47 11.079 -7.866 -0.551 1.00 0.00 C ATOM 700 O SER A 47 9.944 -7.396 -0.480 1.00 0.00 O ATOM 701 CB SER A 47 10.831 -10.349 -0.273 1.00 0.00 C ATOM 702 OG SER A 47 11.363 -10.691 -1.550 1.00 0.00 O ATOM 0 H SER A 47 10.164 -8.439 1.801 1.00 0.00 H new ATOM 0 HA SER A 47 12.553 -9.205 0.258 1.00 0.00 H new ATOM 0 HB2 SER A 47 10.991 -11.175 0.419 1.00 0.00 H new ATOM 0 HB3 SER A 47 9.754 -10.206 -0.356 1.00 0.00 H new ATOM 0 HG SER A 47 10.930 -11.507 -1.877 1.00 0.00 H new ATOM 708 N PRO A 48 12.065 -7.380 -1.352 1.00 0.00 N ATOM 709 CA PRO A 48 11.834 -6.229 -2.209 1.00 0.00 C ATOM 710 C PRO A 48 10.988 -6.612 -3.425 1.00 0.00 C ATOM 711 O PRO A 48 10.939 -7.780 -3.808 1.00 0.00 O ATOM 712 CB PRO A 48 13.221 -5.733 -2.583 1.00 0.00 C ATOM 713 CG PRO A 48 14.167 -6.890 -2.306 1.00 0.00 C ATOM 714 CD PRO A 48 13.420 -7.910 -1.462 1.00 0.00 C ATOM 0 HA PRO A 48 11.264 -5.443 -1.713 1.00 0.00 H new ATOM 0 HB2 PRO A 48 13.261 -5.439 -3.632 1.00 0.00 H new ATOM 0 HB3 PRO A 48 13.494 -4.856 -1.995 1.00 0.00 H new ATOM 0 HG2 PRO A 48 14.503 -7.340 -3.240 1.00 0.00 H new ATOM 0 HG3 PRO A 48 15.056 -6.539 -1.783 1.00 0.00 H new ATOM 0 HD2 PRO A 48 13.424 -8.893 -1.934 1.00 0.00 H new ATOM 0 HD3 PRO A 48 13.881 -8.026 -0.481 1.00 0.00 H new ATOM 722 N GLY A 49 10.343 -5.607 -3.998 1.00 0.00 N ATOM 723 CA GLY A 49 9.502 -5.824 -5.162 1.00 0.00 C ATOM 724 C GLY A 49 8.289 -6.687 -4.809 1.00 0.00 C ATOM 725 O GLY A 49 7.934 -7.599 -5.554 1.00 0.00 O ATOM 0 H GLY A 49 10.386 -4.640 -3.677 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.168 -4.865 -5.557 1.00 0.00 H new ATOM 0 HA3 GLY A 49 10.081 -6.308 -5.948 1.00 0.00 H new ATOM 729 N SER A 50 7.687 -6.368 -3.673 1.00 0.00 N ATOM 730 CA SER A 50 6.521 -7.102 -3.212 1.00 0.00 C ATOM 731 C SER A 50 5.265 -6.244 -3.371 1.00 0.00 C ATOM 732 O SER A 50 4.187 -6.624 -2.916 1.00 0.00 O ATOM 733 CB SER A 50 6.685 -7.539 -1.755 1.00 0.00 C ATOM 734 OG SER A 50 6.411 -8.926 -1.579 1.00 0.00 O ATOM 0 H SER A 50 7.985 -5.611 -3.058 1.00 0.00 H new ATOM 0 HA SER A 50 6.419 -7.999 -3.822 1.00 0.00 H new ATOM 0 HB2 SER A 50 7.702 -7.326 -1.425 1.00 0.00 H new ATOM 0 HB3 SER A 50 6.016 -6.954 -1.124 1.00 0.00 H new ATOM 0 HG SER A 50 5.491 -9.040 -1.260 1.00 0.00 H new ATOM 740 N TRP A 51 5.445 -5.101 -4.017 1.00 0.00 N ATOM 741 CA TRP A 51 4.340 -4.185 -4.241 1.00 0.00 C ATOM 742 C TRP A 51 3.782 -4.451 -5.641 1.00 0.00 C ATOM 743 O TRP A 51 2.804 -3.828 -6.052 1.00 0.00 O ATOM 744 CB TRP A 51 4.781 -2.734 -4.039 1.00 0.00 C ATOM 745 CG TRP A 51 4.914 -2.324 -2.571 1.00 0.00 C ATOM 746 CD1 TRP A 51 5.860 -2.690 -1.694 1.00 0.00 C ATOM 747 CD2 TRP A 51 4.031 -1.447 -1.839 1.00 0.00 C ATOM 748 NE1 TRP A 51 5.651 -2.117 -0.457 1.00 0.00 N ATOM 749 CE2 TRP A 51 4.504 -1.337 -0.548 1.00 0.00 C ATOM 750 CE3 TRP A 51 2.871 -0.770 -2.255 1.00 0.00 C ATOM 751 CZ2 TRP A 51 3.879 -0.558 0.434 1.00 0.00 C ATOM 752 CZ3 TRP A 51 2.259 0.004 -1.263 1.00 0.00 C ATOM 753 CH2 TRP A 51 2.722 0.126 0.042 1.00 0.00 C ATOM 0 H TRP A 51 6.340 -4.789 -4.393 1.00 0.00 H new ATOM 0 HA TRP A 51 3.547 -4.352 -3.512 1.00 0.00 H new ATOM 0 HB2 TRP A 51 5.739 -2.583 -4.536 1.00 0.00 H new ATOM 0 HB3 TRP A 51 4.062 -2.075 -4.526 1.00 0.00 H new ATOM 0 HD1 TRP A 51 6.682 -3.350 -1.927 1.00 0.00 H new ATOM 0 HE1 TRP A 51 6.231 -2.243 0.372 1.00 0.00 H new ATOM 0 HE3 TRP A 51 2.483 -0.842 -3.260 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 4.268 -0.489 1.439 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 1.363 0.545 -1.530 1.00 0.00 H new ATOM 0 HH2 TRP A 51 2.192 0.745 0.750 1.00 0.00 H new ATOM 764 N ASP A 52 4.428 -5.376 -6.335 1.00 0.00 N ATOM 765 CA ASP A 52 4.009 -5.732 -7.680 1.00 0.00 C ATOM 766 C ASP A 52 2.742 -6.586 -7.605 1.00 0.00 C ATOM 767 O ASP A 52 1.967 -6.639 -8.559 1.00 0.00 O ATOM 768 CB ASP A 52 5.088 -6.547 -8.396 1.00 0.00 C ATOM 769 CG ASP A 52 5.397 -6.096 -9.825 1.00 0.00 C ATOM 770 OD1 ASP A 52 5.594 -6.924 -10.727 1.00 0.00 O ATOM 771 OD2 ASP A 52 5.433 -4.818 -9.998 1.00 0.00 O ATOM 0 H ASP A 52 5.239 -5.890 -5.991 1.00 0.00 H new ATOM 0 HA ASP A 52 3.829 -4.810 -8.232 1.00 0.00 H new ATOM 0 HB2 ASP A 52 6.006 -6.501 -7.810 1.00 0.00 H new ATOM 0 HB3 ASP A 52 4.777 -7.592 -8.420 1.00 0.00 H new ATOM 777 N PRO A 53 2.566 -7.252 -6.433 1.00 0.00 N ATOM 778 CA PRO A 53 1.406 -8.102 -6.221 1.00 0.00 C ATOM 779 C PRO A 53 0.150 -7.264 -5.974 1.00 0.00 C ATOM 780 O PRO A 53 -0.943 -7.639 -6.393 1.00 0.00 O ATOM 781 CB PRO A 53 1.774 -8.982 -5.038 1.00 0.00 C ATOM 782 CG PRO A 53 2.930 -8.283 -4.341 1.00 0.00 C ATOM 783 CD PRO A 53 3.462 -7.213 -5.281 1.00 0.00 C ATOM 0 HA PRO A 53 1.165 -8.710 -7.093 1.00 0.00 H new ATOM 0 HB2 PRO A 53 0.927 -9.103 -4.363 1.00 0.00 H new ATOM 0 HB3 PRO A 53 2.063 -9.980 -5.369 1.00 0.00 H new ATOM 0 HG2 PRO A 53 2.597 -7.837 -3.404 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.715 -8.998 -4.093 1.00 0.00 H new ATOM 0 HD2 PRO A 53 3.455 -6.231 -4.807 1.00 0.00 H new ATOM 0 HD3 PRO A 53 4.492 -7.419 -5.573 1.00 0.00 H new ATOM 791 N ILE A 54 0.349 -6.144 -5.295 1.00 0.00 N ATOM 792 CA ILE A 54 -0.754 -5.249 -4.987 1.00 0.00 C ATOM 793 C ILE A 54 -1.078 -4.403 -6.220 1.00 0.00 C ATOM 794 O ILE A 54 -2.178 -3.864 -6.336 1.00 0.00 O ATOM 795 CB ILE A 54 -0.441 -4.422 -3.738 1.00 0.00 C ATOM 796 CG1 ILE A 54 -1.615 -4.444 -2.758 1.00 0.00 C ATOM 797 CG2 ILE A 54 -0.034 -2.996 -4.113 1.00 0.00 C ATOM 798 CD1 ILE A 54 -2.135 -3.030 -2.493 1.00 0.00 C ATOM 0 H ILE A 54 1.258 -5.836 -4.949 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.651 -5.819 -4.746 1.00 0.00 H new ATOM 0 HB ILE A 54 0.410 -4.877 -3.231 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.418 -5.061 -3.161 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.302 -4.902 -1.820 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.183 -2.430 -3.207 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.854 -3.025 -4.744 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.849 -2.516 -4.655 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.969 -3.074 -1.793 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.336 -2.422 -2.067 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.470 -2.584 -3.429 1.00 0.00 H new ATOM 810 N THR A 55 -0.101 -4.313 -7.110 1.00 0.00 N ATOM 811 CA THR A 55 -0.268 -3.541 -8.330 1.00 0.00 C ATOM 812 C THR A 55 -1.247 -4.242 -9.274 1.00 0.00 C ATOM 813 O THR A 55 -2.205 -3.632 -9.745 1.00 0.00 O ATOM 814 CB THR A 55 1.116 -3.321 -8.943 1.00 0.00 C ATOM 815 OG1 THR A 55 1.605 -2.154 -8.287 1.00 0.00 O ATOM 816 CG2 THR A 55 1.045 -2.918 -10.418 1.00 0.00 C ATOM 0 H THR A 55 0.809 -4.762 -7.011 1.00 0.00 H new ATOM 0 HA THR A 55 -0.707 -2.565 -8.124 1.00 0.00 H new ATOM 0 HB THR A 55 1.706 -4.232 -8.843 1.00 0.00 H new ATOM 0 HG1 THR A 55 2.582 -2.197 -8.229 1.00 0.00 H new ATOM 0 HG21 THR A 55 2.054 -2.774 -10.805 1.00 0.00 H new ATOM 0 HG22 THR A 55 0.547 -3.704 -10.986 1.00 0.00 H new ATOM 0 HG23 THR A 55 0.483 -1.989 -10.515 1.00 0.00 H new ATOM 824 N ALA A 56 -0.972 -5.514 -9.522 1.00 0.00 N ATOM 825 CA ALA A 56 -1.816 -6.305 -10.402 1.00 0.00 C ATOM 826 C ALA A 56 -3.097 -6.692 -9.660 1.00 0.00 C ATOM 827 O ALA A 56 -4.073 -7.114 -10.277 1.00 0.00 O ATOM 828 CB ALA A 56 -1.037 -7.525 -10.896 1.00 0.00 C ATOM 0 H ALA A 56 -0.176 -6.017 -9.129 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.105 -5.726 -11.279 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.670 -8.118 -11.556 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.152 -7.196 -11.441 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.732 -8.132 -10.043 1.00 0.00 H new ATOM 834 N ALA A 57 -3.052 -6.534 -8.345 1.00 0.00 N ATOM 835 CA ALA A 57 -4.197 -6.861 -7.512 1.00 0.00 C ATOM 836 C ALA A 57 -5.316 -5.851 -7.771 1.00 0.00 C ATOM 837 O ALA A 57 -6.358 -6.201 -8.322 1.00 0.00 O ATOM 838 CB ALA A 57 -3.768 -6.893 -6.044 1.00 0.00 C ATOM 0 H ALA A 57 -2.240 -6.184 -7.836 1.00 0.00 H new ATOM 0 HA ALA A 57 -4.582 -7.850 -7.760 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -4.627 -7.138 -5.419 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.993 -7.647 -5.908 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.378 -5.916 -5.758 1.00 0.00 H new ATOM 844 N LEU A 58 -5.062 -4.617 -7.360 1.00 0.00 N ATOM 845 CA LEU A 58 -6.036 -3.553 -7.541 1.00 0.00 C ATOM 846 C LEU A 58 -6.467 -3.506 -9.008 1.00 0.00 C ATOM 847 O LEU A 58 -7.644 -3.309 -9.307 1.00 0.00 O ATOM 848 CB LEU A 58 -5.481 -2.226 -7.020 1.00 0.00 C ATOM 849 CG LEU A 58 -4.735 -1.364 -8.041 1.00 0.00 C ATOM 850 CD1 LEU A 58 -3.510 -2.099 -8.588 1.00 0.00 C ATOM 851 CD2 LEU A 58 -5.673 -0.902 -9.158 1.00 0.00 C ATOM 0 H LEU A 58 -4.197 -4.330 -6.903 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.931 -3.751 -6.952 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -6.308 -1.642 -6.617 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.806 -2.438 -6.191 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.374 -0.469 -7.534 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.998 -1.464 -9.311 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.832 -2.335 -7.768 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.826 -3.022 -9.075 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.118 -0.291 -9.870 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -6.085 -1.772 -9.670 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.485 -0.314 -8.731 1.00 0.00 H new ATOM 863 N SER A 59 -5.491 -3.692 -9.885 1.00 0.00 N ATOM 864 CA SER A 59 -5.755 -3.673 -11.314 1.00 0.00 C ATOM 865 C SER A 59 -6.610 -4.880 -11.703 1.00 0.00 C ATOM 866 O SER A 59 -7.486 -4.774 -12.561 1.00 0.00 O ATOM 867 CB SER A 59 -4.452 -3.665 -12.115 1.00 0.00 C ATOM 868 OG SER A 59 -4.668 -3.326 -13.482 1.00 0.00 O ATOM 0 H SER A 59 -4.516 -3.857 -9.634 1.00 0.00 H new ATOM 0 HA SER A 59 -6.299 -2.759 -11.549 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.757 -2.952 -11.670 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.983 -4.647 -12.055 1.00 0.00 H new ATOM 0 HG SER A 59 -3.812 -3.330 -13.959 1.00 0.00 H new ATOM 874 N GLN A 60 -6.327 -6.000 -11.055 1.00 0.00 N ATOM 875 CA GLN A 60 -7.059 -7.226 -11.323 1.00 0.00 C ATOM 876 C GLN A 60 -8.497 -7.108 -10.813 1.00 0.00 C ATOM 877 O GLN A 60 -9.413 -7.695 -11.386 1.00 0.00 O ATOM 878 CB GLN A 60 -6.354 -8.433 -10.702 1.00 0.00 C ATOM 879 CG GLN A 60 -5.344 -9.041 -11.677 1.00 0.00 C ATOM 880 CD GLN A 60 -6.055 -9.707 -12.857 1.00 0.00 C ATOM 881 OE1 GLN A 60 -5.810 -9.406 -14.013 1.00 0.00 O ATOM 882 NE2 GLN A 60 -6.946 -10.628 -12.501 1.00 0.00 N ATOM 0 H GLN A 60 -5.600 -6.084 -10.344 1.00 0.00 H new ATOM 0 HA GLN A 60 -7.088 -7.380 -12.402 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.844 -8.130 -9.787 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -7.092 -9.185 -10.422 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -4.673 -8.264 -12.043 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -4.728 -9.775 -11.158 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -7.102 -10.832 -11.514 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -7.473 -11.131 -13.215 1.00 0.00 H new ATOM 891 N ARG A 61 -8.650 -6.345 -9.741 1.00 0.00 N ATOM 892 CA ARG A 61 -9.960 -6.143 -9.147 1.00 0.00 C ATOM 893 C ARG A 61 -10.099 -4.704 -8.644 1.00 0.00 C ATOM 894 O ARG A 61 -10.407 -4.479 -7.475 1.00 0.00 O ATOM 895 CB ARG A 61 -10.192 -7.107 -7.982 1.00 0.00 C ATOM 896 CG ARG A 61 -10.907 -8.375 -8.454 1.00 0.00 C ATOM 897 CD ARG A 61 -11.444 -9.176 -7.266 1.00 0.00 C ATOM 898 NE ARG A 61 -12.257 -10.314 -7.749 1.00 0.00 N ATOM 899 CZ ARG A 61 -13.468 -10.186 -8.332 1.00 0.00 C ATOM 900 NH1 ARG A 61 -14.017 -8.966 -8.510 1.00 0.00 N ATOM 901 NH2 ARG A 61 -14.106 -11.272 -8.726 1.00 0.00 N ATOM 0 H ARG A 61 -7.888 -5.859 -9.268 1.00 0.00 H new ATOM 0 HA ARG A 61 -10.706 -6.336 -9.918 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -9.237 -7.371 -7.528 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -10.786 -6.616 -7.211 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -11.729 -8.108 -9.118 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -10.218 -8.992 -9.031 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -10.616 -9.542 -6.659 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -12.048 -8.533 -6.626 1.00 0.00 H new ATOM 0 HE ARG A 61 -11.879 -11.254 -7.634 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -13.517 -8.132 -8.203 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -14.932 -8.878 -8.951 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -13.683 -12.190 -8.588 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -15.022 -11.193 -9.168 1.00 0.00 H new ATOM 914 N ALA A 62 -9.864 -3.769 -9.552 1.00 0.00 N ATOM 915 CA ALA A 62 -9.959 -2.358 -9.216 1.00 0.00 C ATOM 916 C ALA A 62 -11.433 -1.955 -9.139 1.00 0.00 C ATOM 917 O ALA A 62 -11.749 -0.793 -8.890 1.00 0.00 O ATOM 918 CB ALA A 62 -9.181 -1.535 -10.244 1.00 0.00 C ATOM 0 H ALA A 62 -9.608 -3.960 -10.521 1.00 0.00 H new ATOM 0 HA ALA A 62 -9.514 -2.164 -8.240 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -9.252 -0.477 -9.992 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -8.135 -1.840 -10.238 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -9.601 -1.701 -11.236 1.00 0.00 H new ATOM 924 N MET A 63 -12.294 -2.937 -9.359 1.00 0.00 N ATOM 925 CA MET A 63 -13.727 -2.698 -9.318 1.00 0.00 C ATOM 926 C MET A 63 -14.216 -2.545 -7.877 1.00 0.00 C ATOM 927 O MET A 63 -15.380 -2.222 -7.643 1.00 0.00 O ATOM 928 CB MET A 63 -14.458 -3.866 -9.984 1.00 0.00 C ATOM 929 CG MET A 63 -14.367 -3.771 -11.509 1.00 0.00 C ATOM 930 SD MET A 63 -12.992 -4.745 -12.099 1.00 0.00 S ATOM 931 CE MET A 63 -12.058 -3.481 -12.946 1.00 0.00 C ATOM 0 H MET A 63 -12.028 -3.900 -9.566 1.00 0.00 H new ATOM 0 HA MET A 63 -13.938 -1.772 -9.854 1.00 0.00 H new ATOM 0 HB2 MET A 63 -14.026 -4.809 -9.648 1.00 0.00 H new ATOM 0 HB3 MET A 63 -15.504 -3.867 -9.678 1.00 0.00 H new ATOM 0 HG2 MET A 63 -15.294 -4.125 -11.960 1.00 0.00 H new ATOM 0 HG3 MET A 63 -14.243 -2.731 -11.810 1.00 0.00 H new ATOM 0 HE1 MET A 63 -11.159 -3.921 -13.378 1.00 0.00 H new ATOM 0 HE2 MET A 63 -12.667 -3.049 -13.740 1.00 0.00 H new ATOM 0 HE3 MET A 63 -11.777 -2.701 -12.239 1.00 0.00 H new ATOM 941 N ILE A 64 -13.303 -2.785 -6.947 1.00 0.00 N ATOM 942 CA ILE A 64 -13.627 -2.678 -5.534 1.00 0.00 C ATOM 943 C ILE A 64 -13.156 -1.320 -5.009 1.00 0.00 C ATOM 944 O ILE A 64 -13.548 -0.901 -3.921 1.00 0.00 O ATOM 945 CB ILE A 64 -13.056 -3.868 -4.762 1.00 0.00 C ATOM 946 CG1 ILE A 64 -13.733 -5.173 -5.186 1.00 0.00 C ATOM 947 CG2 ILE A 64 -13.151 -3.638 -3.252 1.00 0.00 C ATOM 948 CD1 ILE A 64 -12.695 -6.260 -5.475 1.00 0.00 C ATOM 0 H ILE A 64 -12.339 -3.053 -7.144 1.00 0.00 H new ATOM 0 HA ILE A 64 -14.706 -2.720 -5.386 1.00 0.00 H new ATOM 0 HB ILE A 64 -11.998 -3.959 -5.009 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -14.408 -5.509 -4.399 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -14.341 -5.000 -6.074 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -12.738 -4.499 -2.726 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -12.587 -2.744 -2.984 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -14.195 -3.507 -2.969 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -13.202 -7.177 -5.774 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -12.037 -5.930 -6.279 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -12.105 -6.448 -4.578 1.00 0.00 H new ATOM 960 N LEU A 65 -12.321 -0.670 -5.807 1.00 0.00 N ATOM 961 CA LEU A 65 -11.792 0.631 -5.436 1.00 0.00 C ATOM 962 C LEU A 65 -12.005 1.611 -6.591 1.00 0.00 C ATOM 963 O LEU A 65 -11.913 1.231 -7.758 1.00 0.00 O ATOM 964 CB LEU A 65 -10.333 0.510 -4.993 1.00 0.00 C ATOM 965 CG LEU A 65 -9.795 -0.914 -4.838 1.00 0.00 C ATOM 966 CD1 LEU A 65 -8.294 -0.904 -4.543 1.00 0.00 C ATOM 967 CD2 LEU A 65 -10.583 -1.685 -3.776 1.00 0.00 C ATOM 0 H LEU A 65 -11.998 -1.020 -6.709 1.00 0.00 H new ATOM 0 HA LEU A 65 -12.330 1.030 -4.576 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -9.710 1.036 -5.716 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.220 1.026 -4.040 1.00 0.00 H new ATOM 0 HG LEU A 65 -9.933 -1.437 -5.785 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -7.937 -1.928 -4.437 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.765 -0.418 -5.363 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.109 -0.358 -3.618 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -10.181 -2.694 -3.685 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -10.499 -1.173 -2.817 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -11.632 -1.738 -4.068 1.00 0.00 H new ATOM 979 N GLY A 66 -12.285 2.854 -6.227 1.00 0.00 N ATOM 980 CA GLY A 66 -12.511 3.892 -7.219 1.00 0.00 C ATOM 981 C GLY A 66 -13.998 4.009 -7.560 1.00 0.00 C ATOM 982 O GLY A 66 -14.465 5.075 -7.959 1.00 0.00 O ATOM 0 H GLY A 66 -12.361 3.166 -5.259 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -12.144 4.847 -6.842 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -11.944 3.667 -8.122 1.00 0.00 H new ATOM 986 N LYS A 67 -14.700 2.898 -7.391 1.00 0.00 N ATOM 987 CA LYS A 67 -16.125 2.863 -7.677 1.00 0.00 C ATOM 988 C LYS A 67 -16.891 2.551 -6.390 1.00 0.00 C ATOM 989 O LYS A 67 -17.660 3.379 -5.905 1.00 0.00 O ATOM 990 CB LYS A 67 -16.418 1.889 -8.819 1.00 0.00 C ATOM 991 CG LYS A 67 -16.993 2.623 -10.032 1.00 0.00 C ATOM 992 CD LYS A 67 -17.160 1.672 -11.220 1.00 0.00 C ATOM 993 CE LYS A 67 -16.040 1.872 -12.243 1.00 0.00 C ATOM 994 NZ LYS A 67 -16.389 1.222 -13.526 1.00 0.00 N ATOM 0 H LYS A 67 -14.309 2.016 -7.060 1.00 0.00 H new ATOM 0 HA LYS A 67 -16.468 3.837 -8.024 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -15.502 1.371 -9.104 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -17.123 1.129 -8.482 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -17.957 3.060 -9.773 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -16.334 3.446 -10.310 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -17.156 0.640 -10.868 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -18.126 1.843 -11.695 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -15.870 2.937 -12.402 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -15.109 1.455 -11.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -15.619 1.367 -14.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -16.528 0.203 -13.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -17.266 1.639 -13.899 1.00 0.00 H new ATOM 1007 N SER A 68 -16.654 1.354 -5.874 1.00 0.00 N ATOM 1008 CA SER A 68 -17.312 0.922 -4.652 1.00 0.00 C ATOM 1009 C SER A 68 -16.424 1.227 -3.444 1.00 0.00 C ATOM 1010 O SER A 68 -16.792 0.929 -2.308 1.00 0.00 O ATOM 1011 CB SER A 68 -17.645 -0.570 -4.704 1.00 0.00 C ATOM 1012 OG SER A 68 -19.050 -0.803 -4.725 1.00 0.00 O ATOM 0 H SER A 68 -16.016 0.670 -6.280 1.00 0.00 H new ATOM 0 HA SER A 68 -18.248 1.472 -4.554 1.00 0.00 H new ATOM 0 HB2 SER A 68 -17.191 -1.012 -5.591 1.00 0.00 H new ATOM 0 HB3 SER A 68 -17.208 -1.069 -3.839 1.00 0.00 H new ATOM 0 HG SER A 68 -19.221 -1.767 -4.760 1.00 0.00 H new ATOM 1018 N GLY A 69 -15.273 1.817 -3.729 1.00 0.00 N ATOM 1019 CA GLY A 69 -14.330 2.164 -2.680 1.00 0.00 C ATOM 1020 C GLY A 69 -13.608 3.474 -3.003 1.00 0.00 C ATOM 1021 O GLY A 69 -14.198 4.550 -2.915 1.00 0.00 O ATOM 0 H GLY A 69 -14.972 2.064 -4.672 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -14.856 2.259 -1.730 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -13.601 1.362 -2.562 1.00 0.00 H new ATOM 1025 N GLU A 70 -12.343 3.340 -3.372 1.00 0.00 N ATOM 1026 CA GLU A 70 -11.534 4.499 -3.709 1.00 0.00 C ATOM 1027 C GLU A 70 -10.098 4.073 -4.021 1.00 0.00 C ATOM 1028 O GLU A 70 -9.206 4.231 -3.189 1.00 0.00 O ATOM 1029 CB GLU A 70 -11.567 5.536 -2.584 1.00 0.00 C ATOM 1030 CG GLU A 70 -11.456 6.956 -3.144 1.00 0.00 C ATOM 1031 CD GLU A 70 -12.819 7.468 -3.613 1.00 0.00 C ATOM 1032 OE1 GLU A 70 -13.684 6.667 -3.996 1.00 0.00 O ATOM 1033 OE2 GLU A 70 -12.964 8.749 -3.569 1.00 0.00 O ATOM 0 H GLU A 70 -11.858 2.446 -3.445 1.00 0.00 H new ATOM 0 HA GLU A 70 -11.955 4.964 -4.600 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -12.494 5.435 -2.019 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -10.748 5.350 -1.889 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -11.057 7.622 -2.379 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -10.753 6.969 -3.977 1.00 0.00 H new ATOM 1041 N LEU A 71 -9.920 3.541 -5.221 1.00 0.00 N ATOM 1042 CA LEU A 71 -8.608 3.090 -5.652 1.00 0.00 C ATOM 1043 C LEU A 71 -7.587 4.203 -5.411 1.00 0.00 C ATOM 1044 O LEU A 71 -6.388 3.942 -5.320 1.00 0.00 O ATOM 1045 CB LEU A 71 -8.658 2.605 -7.103 1.00 0.00 C ATOM 1046 CG LEU A 71 -8.013 1.246 -7.378 1.00 0.00 C ATOM 1047 CD1 LEU A 71 -9.002 0.297 -8.057 1.00 0.00 C ATOM 1048 CD2 LEU A 71 -6.724 1.405 -8.188 1.00 0.00 C ATOM 0 H LEU A 71 -10.663 3.412 -5.908 1.00 0.00 H new ATOM 0 HA LEU A 71 -8.288 2.230 -5.063 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.702 2.559 -7.414 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.170 3.350 -7.731 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.741 0.798 -6.423 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.518 -0.662 -8.241 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.867 0.149 -7.410 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.327 0.727 -9.004 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.285 0.424 -8.370 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.950 1.884 -9.141 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -6.018 2.021 -7.631 1.00 0.00 H new ATOM 1060 N LYS A 72 -8.098 5.421 -5.314 1.00 0.00 N ATOM 1061 CA LYS A 72 -7.246 6.575 -5.085 1.00 0.00 C ATOM 1062 C LYS A 72 -6.232 6.246 -3.987 1.00 0.00 C ATOM 1063 O LYS A 72 -5.059 6.600 -4.093 1.00 0.00 O ATOM 1064 CB LYS A 72 -8.091 7.816 -4.789 1.00 0.00 C ATOM 1065 CG LYS A 72 -7.371 9.090 -5.237 1.00 0.00 C ATOM 1066 CD LYS A 72 -6.800 9.847 -4.036 1.00 0.00 C ATOM 1067 CE LYS A 72 -5.274 9.931 -4.116 1.00 0.00 C ATOM 1068 NZ LYS A 72 -4.855 10.544 -5.396 1.00 0.00 N ATOM 0 H LYS A 72 -9.093 5.634 -5.390 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.678 6.812 -5.984 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -9.050 7.737 -5.300 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -8.302 7.870 -3.721 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -6.566 8.834 -5.926 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -8.064 9.732 -5.780 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.222 10.851 -4.001 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -7.092 9.346 -3.113 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -4.892 10.520 -3.282 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -4.844 8.934 -4.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.993 11.106 -5.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -4.664 9.796 -6.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -5.613 11.162 -5.750 1.00 0.00 H new ATOM 1081 N THR A 73 -6.722 5.570 -2.958 1.00 0.00 N ATOM 1082 CA THR A 73 -5.874 5.188 -1.841 1.00 0.00 C ATOM 1083 C THR A 73 -4.716 4.314 -2.326 1.00 0.00 C ATOM 1084 O THR A 73 -3.575 4.499 -1.906 1.00 0.00 O ATOM 1085 CB THR A 73 -6.753 4.506 -0.792 1.00 0.00 C ATOM 1086 OG1 THR A 73 -8.052 5.043 -1.024 1.00 0.00 O ATOM 1087 CG2 THR A 73 -6.416 4.950 0.633 1.00 0.00 C ATOM 0 H THR A 73 -7.695 5.277 -2.874 1.00 0.00 H new ATOM 0 HA THR A 73 -5.410 6.060 -1.379 1.00 0.00 H new ATOM 0 HB THR A 73 -6.640 3.425 -0.872 1.00 0.00 H new ATOM 0 HG1 THR A 73 -8.562 4.430 -1.593 1.00 0.00 H new ATOM 0 HG21 THR A 73 -7.069 4.436 1.338 1.00 0.00 H new ATOM 0 HG22 THR A 73 -5.377 4.704 0.855 1.00 0.00 H new ATOM 0 HG23 THR A 73 -6.561 6.027 0.723 1.00 0.00 H new ATOM 1095 N TRP A 74 -5.050 3.379 -3.204 1.00 0.00 N ATOM 1096 CA TRP A 74 -4.052 2.475 -3.750 1.00 0.00 C ATOM 1097 C TRP A 74 -2.928 3.320 -4.352 1.00 0.00 C ATOM 1098 O TRP A 74 -1.755 3.106 -4.049 1.00 0.00 O ATOM 1099 CB TRP A 74 -4.680 1.510 -4.758 1.00 0.00 C ATOM 1100 CG TRP A 74 -3.678 0.892 -5.735 1.00 0.00 C ATOM 1101 CD1 TRP A 74 -3.040 -0.282 -5.632 1.00 0.00 C ATOM 1102 CD2 TRP A 74 -3.221 1.469 -6.977 1.00 0.00 C ATOM 1103 NE1 TRP A 74 -2.210 -0.503 -6.712 1.00 0.00 N ATOM 1104 CE2 TRP A 74 -2.323 0.595 -7.556 1.00 0.00 C ATOM 1105 CE3 TRP A 74 -3.556 2.689 -7.591 1.00 0.00 C ATOM 1106 CZ2 TRP A 74 -1.686 0.848 -8.777 1.00 0.00 C ATOM 1107 CZ3 TRP A 74 -2.911 2.926 -8.811 1.00 0.00 C ATOM 1108 CH2 TRP A 74 -2.004 2.057 -9.406 1.00 0.00 C ATOM 0 H TRP A 74 -5.997 3.228 -3.551 1.00 0.00 H new ATOM 0 HA TRP A 74 -3.632 1.845 -2.966 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -5.183 0.710 -4.215 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -5.445 2.040 -5.325 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -3.160 -0.969 -4.807 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -1.621 -1.322 -6.863 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -4.255 3.388 -7.156 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -0.987 0.148 -9.210 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -3.134 3.849 -9.326 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -1.546 2.314 -10.350 1.00 0.00 H new ATOM 1119 N GLY A 75 -3.325 4.263 -5.194 1.00 0.00 N ATOM 1120 CA GLY A 75 -2.366 5.141 -5.841 1.00 0.00 C ATOM 1121 C GLY A 75 -1.230 5.511 -4.886 1.00 0.00 C ATOM 1122 O GLY A 75 -0.056 5.367 -5.225 1.00 0.00 O ATOM 0 H GLY A 75 -4.299 4.438 -5.443 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.958 4.651 -6.725 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.869 6.046 -6.182 1.00 0.00 H new ATOM 1126 N LEU A 76 -1.618 5.982 -3.710 1.00 0.00 N ATOM 1127 CA LEU A 76 -0.647 6.374 -2.703 1.00 0.00 C ATOM 1128 C LEU A 76 0.150 5.144 -2.262 1.00 0.00 C ATOM 1129 O LEU A 76 1.362 5.221 -2.072 1.00 0.00 O ATOM 1130 CB LEU A 76 -1.337 7.105 -1.549 1.00 0.00 C ATOM 1131 CG LEU A 76 -1.163 8.625 -1.519 1.00 0.00 C ATOM 1132 CD1 LEU A 76 -2.317 9.324 -2.240 1.00 0.00 C ATOM 1133 CD2 LEU A 76 -0.994 9.129 -0.084 1.00 0.00 C ATOM 0 H LEU A 76 -2.592 6.101 -3.432 1.00 0.00 H new ATOM 0 HA LEU A 76 0.067 7.085 -3.119 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.403 6.882 -1.589 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.961 6.697 -0.610 1.00 0.00 H new ATOM 0 HG LEU A 76 -0.249 8.875 -2.058 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.168 10.403 -2.204 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -2.348 8.997 -3.279 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.258 9.071 -1.751 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.872 10.212 -0.091 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.876 8.867 0.500 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.113 8.668 0.362 1.00 0.00 H new ATOM 1145 N VAL A 77 -0.565 4.038 -2.113 1.00 0.00 N ATOM 1146 CA VAL A 77 0.060 2.794 -1.699 1.00 0.00 C ATOM 1147 C VAL A 77 0.960 2.281 -2.825 1.00 0.00 C ATOM 1148 O VAL A 77 2.158 2.083 -2.626 1.00 0.00 O ATOM 1149 CB VAL A 77 -1.011 1.784 -1.282 1.00 0.00 C ATOM 1150 CG1 VAL A 77 -1.398 0.880 -2.455 1.00 0.00 C ATOM 1151 CG2 VAL A 77 -0.546 0.956 -0.082 1.00 0.00 C ATOM 0 H VAL A 77 -1.571 3.978 -2.272 1.00 0.00 H new ATOM 0 HA VAL A 77 0.692 2.956 -0.826 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.898 2.341 -0.981 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -2.161 0.171 -2.132 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.790 1.489 -3.270 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.519 0.335 -2.800 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.326 0.246 0.194 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.362 0.414 -0.344 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.343 1.618 0.760 1.00 0.00 H new ATOM 1161 N LEU A 78 0.349 2.079 -3.983 1.00 0.00 N ATOM 1162 CA LEU A 78 1.080 1.593 -5.140 1.00 0.00 C ATOM 1163 C LEU A 78 2.034 2.684 -5.631 1.00 0.00 C ATOM 1164 O LEU A 78 3.245 2.475 -5.687 1.00 0.00 O ATOM 1165 CB LEU A 78 0.112 1.094 -6.215 1.00 0.00 C ATOM 1166 CG LEU A 78 0.576 -0.117 -7.026 1.00 0.00 C ATOM 1167 CD1 LEU A 78 1.813 0.222 -7.860 1.00 0.00 C ATOM 1168 CD2 LEU A 78 0.810 -1.327 -6.119 1.00 0.00 C ATOM 0 H LEU A 78 -0.645 2.243 -4.145 1.00 0.00 H new ATOM 0 HA LEU A 78 1.691 0.732 -4.870 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.834 0.844 -5.736 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.087 1.914 -6.905 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.218 -0.385 -7.723 1.00 0.00 H new ATOM 0 HD11 LEU A 78 2.122 -0.656 -8.427 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.576 1.033 -8.549 1.00 0.00 H new ATOM 0 HD13 LEU A 78 2.623 0.531 -7.200 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.139 -2.174 -6.720 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.576 -1.086 -5.382 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.118 -1.584 -5.608 1.00 0.00 H new ATOM 1180 N GLY A 79 1.452 3.824 -5.974 1.00 0.00 N ATOM 1181 CA GLY A 79 2.236 4.948 -6.458 1.00 0.00 C ATOM 1182 C GLY A 79 3.559 5.061 -5.698 1.00 0.00 C ATOM 1183 O GLY A 79 4.544 5.567 -6.233 1.00 0.00 O ATOM 0 H GLY A 79 0.447 3.993 -5.926 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.433 4.827 -7.523 1.00 0.00 H new ATOM 0 HA3 GLY A 79 1.666 5.870 -6.343 1.00 0.00 H new ATOM 1187 N ALA A 80 3.538 4.583 -4.463 1.00 0.00 N ATOM 1188 CA ALA A 80 4.724 4.624 -3.624 1.00 0.00 C ATOM 1189 C ALA A 80 5.775 3.665 -4.186 1.00 0.00 C ATOM 1190 O ALA A 80 6.921 4.054 -4.407 1.00 0.00 O ATOM 1191 CB ALA A 80 4.341 4.289 -2.181 1.00 0.00 C ATOM 0 H ALA A 80 2.718 4.165 -4.023 1.00 0.00 H new ATOM 0 HA ALA A 80 5.158 5.624 -3.622 1.00 0.00 H new ATOM 0 HB1 ALA A 80 5.231 4.320 -1.552 1.00 0.00 H new ATOM 0 HB2 ALA A 80 3.615 5.017 -1.819 1.00 0.00 H new ATOM 0 HB3 ALA A 80 3.904 3.291 -2.143 1.00 0.00 H new ATOM 1197 N LEU A 81 5.347 2.430 -4.401 1.00 0.00 N ATOM 1198 CA LEU A 81 6.237 1.412 -4.933 1.00 0.00 C ATOM 1199 C LEU A 81 6.926 1.949 -6.190 1.00 0.00 C ATOM 1200 O LEU A 81 8.131 1.773 -6.364 1.00 0.00 O ATOM 1201 CB LEU A 81 5.478 0.102 -5.160 1.00 0.00 C ATOM 1202 CG LEU A 81 5.979 -0.772 -6.312 1.00 0.00 C ATOM 1203 CD1 LEU A 81 7.276 -1.489 -5.932 1.00 0.00 C ATOM 1204 CD2 LEU A 81 4.895 -1.751 -6.767 1.00 0.00 C ATOM 0 H LEU A 81 4.396 2.111 -4.217 1.00 0.00 H new ATOM 0 HA LEU A 81 7.022 1.179 -4.214 1.00 0.00 H new ATOM 0 HB2 LEU A 81 5.520 -0.483 -4.241 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.429 0.339 -5.339 1.00 0.00 H new ATOM 0 HG LEU A 81 6.206 -0.125 -7.159 1.00 0.00 H new ATOM 0 HD11 LEU A 81 7.611 -2.103 -6.768 1.00 0.00 H new ATOM 0 HD12 LEU A 81 8.043 -0.752 -5.694 1.00 0.00 H new ATOM 0 HD13 LEU A 81 7.100 -2.123 -5.063 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.276 -2.361 -7.586 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.615 -2.396 -5.934 1.00 0.00 H new ATOM 0 HD23 LEU A 81 4.021 -1.195 -7.105 1.00 0.00 H new ATOM 1216 N LYS A 82 6.131 2.592 -7.032 1.00 0.00 N ATOM 1217 CA LYS A 82 6.650 3.156 -8.267 1.00 0.00 C ATOM 1218 C LYS A 82 7.518 4.373 -7.942 1.00 0.00 C ATOM 1219 O LYS A 82 8.401 4.736 -8.718 1.00 0.00 O ATOM 1220 CB LYS A 82 5.507 3.458 -9.239 1.00 0.00 C ATOM 1221 CG LYS A 82 5.245 2.267 -10.164 1.00 0.00 C ATOM 1222 CD LYS A 82 3.977 1.518 -9.748 1.00 0.00 C ATOM 1223 CE LYS A 82 4.311 0.115 -9.238 1.00 0.00 C ATOM 1224 NZ LYS A 82 5.459 -0.448 -9.984 1.00 0.00 N ATOM 0 H LYS A 82 5.132 2.735 -6.884 1.00 0.00 H new ATOM 0 HA LYS A 82 7.290 2.435 -8.776 1.00 0.00 H new ATOM 0 HB2 LYS A 82 4.602 3.695 -8.680 1.00 0.00 H new ATOM 0 HB3 LYS A 82 5.753 4.338 -9.834 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.145 2.615 -11.192 1.00 0.00 H new ATOM 0 HG3 LYS A 82 6.097 1.588 -10.139 1.00 0.00 H new ATOM 0 HD2 LYS A 82 3.459 2.078 -8.970 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.297 1.448 -10.597 1.00 0.00 H new ATOM 0 HE2 LYS A 82 4.545 0.155 -8.174 1.00 0.00 H new ATOM 0 HE3 LYS A 82 3.443 -0.535 -9.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 5.372 -1.483 -10.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 5.468 -0.062 -10.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 6.345 -0.194 -9.501 1.00 0.00 H new ATOM 1237 N ALA A 83 7.237 4.971 -6.793 1.00 0.00 N ATOM 1238 CA ALA A 83 7.981 6.140 -6.356 1.00 0.00 C ATOM 1239 C ALA A 83 9.405 5.722 -5.984 1.00 0.00 C ATOM 1240 O ALA A 83 10.354 6.474 -6.203 1.00 0.00 O ATOM 1241 CB ALA A 83 7.246 6.807 -5.192 1.00 0.00 C ATOM 0 H ALA A 83 6.504 4.668 -6.152 1.00 0.00 H new ATOM 0 HA ALA A 83 8.052 6.873 -7.159 1.00 0.00 H new ATOM 0 HB1 ALA A 83 7.804 7.684 -4.864 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.251 7.111 -5.516 1.00 0.00 H new ATOM 0 HB3 ALA A 83 7.159 6.102 -4.365 1.00 0.00 H new ATOM 1247 N ALA A 84 9.510 4.524 -5.427 1.00 0.00 N ATOM 1248 CA ALA A 84 10.802 3.998 -5.022 1.00 0.00 C ATOM 1249 C ALA A 84 11.679 3.801 -6.261 1.00 0.00 C ATOM 1250 O ALA A 84 12.820 4.259 -6.297 1.00 0.00 O ATOM 1251 CB ALA A 84 10.602 2.700 -4.238 1.00 0.00 C ATOM 0 H ALA A 84 8.721 3.903 -5.247 1.00 0.00 H new ATOM 0 HA ALA A 84 11.313 4.701 -4.364 1.00 0.00 H new ATOM 0 HB1 ALA A 84 11.572 2.305 -3.934 1.00 0.00 H new ATOM 0 HB2 ALA A 84 9.998 2.899 -3.353 1.00 0.00 H new ATOM 0 HB3 ALA A 84 10.094 1.969 -4.867 1.00 0.00 H new ATOM 1257 N ARG A 85 11.112 3.120 -7.246 1.00 0.00 N ATOM 1258 CA ARG A 85 11.827 2.858 -8.483 1.00 0.00 C ATOM 1259 C ARG A 85 12.106 4.167 -9.223 1.00 0.00 C ATOM 1260 O ARG A 85 13.011 4.234 -10.053 1.00 0.00 O ATOM 1261 CB ARG A 85 11.027 1.925 -9.394 1.00 0.00 C ATOM 1262 CG ARG A 85 11.878 0.737 -9.846 1.00 0.00 C ATOM 1263 CD ARG A 85 11.003 -0.481 -10.148 1.00 0.00 C ATOM 1264 NE ARG A 85 10.062 -0.168 -11.246 1.00 0.00 N ATOM 1265 CZ ARG A 85 9.416 -1.101 -11.978 1.00 0.00 C ATOM 1266 NH1 ARG A 85 9.604 -2.415 -11.734 1.00 0.00 N ATOM 1267 NH2 ARG A 85 8.597 -0.708 -12.936 1.00 0.00 N ATOM 0 H ARG A 85 10.165 2.742 -7.212 1.00 0.00 H new ATOM 0 HA ARG A 85 12.770 2.375 -8.225 1.00 0.00 H new ATOM 0 HB2 ARG A 85 10.144 1.564 -8.866 1.00 0.00 H new ATOM 0 HB3 ARG A 85 10.674 2.476 -10.265 1.00 0.00 H new ATOM 0 HG2 ARG A 85 12.447 1.010 -10.735 1.00 0.00 H new ATOM 0 HG3 ARG A 85 12.601 0.486 -9.069 1.00 0.00 H new ATOM 0 HD2 ARG A 85 11.629 -1.329 -10.425 1.00 0.00 H new ATOM 0 HD3 ARG A 85 10.449 -0.772 -9.255 1.00 0.00 H new ATOM 0 HE ARG A 85 9.891 0.814 -11.464 1.00 0.00 H new ATOM 0 HH11 ARG A 85 10.238 -2.710 -10.992 1.00 0.00 H new ATOM 0 HH12 ARG A 85 9.112 -3.113 -12.292 1.00 0.00 H new ATOM 0 HH21 ARG A 85 8.460 0.287 -13.114 1.00 0.00 H new ATOM 0 HH22 ARG A 85 8.101 -1.399 -13.498 1.00 0.00 H new ATOM 1280 N GLU A 86 11.312 5.176 -8.895 1.00 0.00 N ATOM 1281 CA GLU A 86 11.462 6.480 -9.519 1.00 0.00 C ATOM 1282 C GLU A 86 12.524 7.301 -8.783 1.00 0.00 C ATOM 1283 O GLU A 86 13.282 8.042 -9.406 1.00 0.00 O ATOM 1284 CB GLU A 86 10.127 7.224 -9.562 1.00 0.00 C ATOM 1285 CG GLU A 86 10.275 8.577 -10.261 1.00 0.00 C ATOM 1286 CD GLU A 86 10.126 8.429 -11.777 1.00 0.00 C ATOM 1287 OE1 GLU A 86 10.262 7.317 -12.308 1.00 0.00 O ATOM 1288 OE2 GLU A 86 9.857 9.523 -12.407 1.00 0.00 O ATOM 0 H GLU A 86 10.563 5.117 -8.205 1.00 0.00 H new ATOM 0 HA GLU A 86 11.792 6.333 -10.548 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.386 6.619 -10.086 1.00 0.00 H new ATOM 0 HB3 GLU A 86 9.757 7.373 -8.548 1.00 0.00 H new ATOM 0 HG2 GLU A 86 9.523 9.270 -9.884 1.00 0.00 H new ATOM 0 HG3 GLU A 86 11.249 9.006 -10.028 1.00 0.00 H new ATOM 1296 N GLU A 87 12.544 7.140 -7.468 1.00 0.00 N ATOM 1297 CA GLU A 87 13.500 7.857 -6.641 1.00 0.00 C ATOM 1298 C GLU A 87 13.387 9.364 -6.884 1.00 0.00 C ATOM 1299 O GLU A 87 13.670 10.162 -5.992 1.00 0.00 O ATOM 1300 CB GLU A 87 14.925 7.366 -6.900 1.00 0.00 C ATOM 1301 CG GLU A 87 15.634 7.024 -5.587 1.00 0.00 C ATOM 1302 CD GLU A 87 17.138 6.848 -5.806 1.00 0.00 C ATOM 1303 OE1 GLU A 87 17.705 7.451 -6.728 1.00 0.00 O ATOM 1304 OE2 GLU A 87 17.720 6.050 -4.975 1.00 0.00 O ATOM 0 H GLU A 87 11.914 6.524 -6.955 1.00 0.00 H new ATOM 0 HA GLU A 87 13.267 7.659 -5.595 1.00 0.00 H new ATOM 0 HB2 GLU A 87 14.899 6.487 -7.543 1.00 0.00 H new ATOM 0 HB3 GLU A 87 15.487 8.134 -7.432 1.00 0.00 H new ATOM 0 HG2 GLU A 87 15.459 7.815 -4.858 1.00 0.00 H new ATOM 0 HG3 GLU A 87 15.214 6.109 -5.170 1.00 0.00 H new TER 1312 GLU A 87