USER MOD reduce.3.24.130724 H: found=0, std=0, add=379, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 379 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 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 54 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 5 THR OG1 : rot 3:sc= -0.953! USER MOD Set 2.2: A 7 ASN : amide:sc= -3.39 K(o=-4.3,f=-2.6) USER MOD Single : A 1 MET N :NH3+ 166:sc= -0.321 (180deg=-0.765) USER MOD Single : A 2 LYS NZ :NH3+ -163:sc= -0.0334 (180deg=-0.328) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 24:sc= 0.13 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 146:sc= -3.61! (180deg=-5.9!) USER MOD Single : A 25 ASN : amide:sc= -0.0698 X(o=-0.07,f=0) USER MOD Single : A 30 THR OG1 : rot 170:sc= -0.263 USER MOD Single : A 31 ASN : amide:sc= -2.33 K(o=-2.3,f=-9.9!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 154:sc= 0.396 (180deg=0.16) USER MOD Single : A 40 LYS NZ :NH3+ -150:sc= -2.06! (180deg=-3.72!) USER MOD Single : A 41 TYR OH : rot 30:sc= -0.32 USER MOD Single : A 43 SER OG : rot -64:sc= -0.764 USER MOD Single : A 47 THR OG1 : rot 119:sc= 0.0199 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.383 9.935 2.941 1.00 0.00 N ATOM 2 CA MET A 1 -9.625 8.795 2.008 1.00 0.00 C ATOM 3 C MET A 1 -9.436 9.226 0.544 1.00 0.00 C ATOM 4 O MET A 1 -9.782 8.506 -0.373 1.00 0.00 O ATOM 5 CB MET A 1 -11.068 8.255 2.218 1.00 0.00 C ATOM 6 CG MET A 1 -12.114 9.368 1.980 1.00 0.00 C ATOM 7 SD MET A 1 -13.856 8.925 2.197 1.00 0.00 S ATOM 8 CE MET A 1 -14.163 8.237 0.551 1.00 0.00 C ATOM 0 H1 MET A 1 -9.741 9.692 3.887 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.363 10.128 2.996 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.876 10.781 2.591 1.00 0.00 H new ATOM 0 HA MET A 1 -8.900 8.010 2.224 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.253 7.425 1.536 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.171 7.865 3.230 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.889 10.194 2.655 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.984 9.742 0.964 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.198 7.903 0.484 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.979 9.002 -0.203 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.497 7.391 0.380 1.00 0.00 H new ATOM 20 N LYS A 2 -8.882 10.398 0.386 1.00 0.00 N ATOM 21 CA LYS A 2 -8.629 10.969 -0.972 1.00 0.00 C ATOM 22 C LYS A 2 -7.367 10.368 -1.600 1.00 0.00 C ATOM 23 O LYS A 2 -6.383 10.139 -0.922 1.00 0.00 O ATOM 24 CB LYS A 2 -8.476 12.496 -0.845 1.00 0.00 C ATOM 25 CG LYS A 2 -9.778 13.096 -0.268 1.00 0.00 C ATOM 26 CD LYS A 2 -9.628 14.628 -0.147 1.00 0.00 C ATOM 27 CE LYS A 2 -10.913 15.234 0.449 1.00 0.00 C ATOM 28 NZ LYS A 2 -12.080 14.959 -0.438 1.00 0.00 N ATOM 0 H LYS A 2 -8.587 10.997 1.157 1.00 0.00 H new ATOM 0 HA LYS A 2 -9.470 10.726 -1.621 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -7.633 12.735 -0.196 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -8.262 12.933 -1.820 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -10.621 12.852 -0.914 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -9.989 12.662 0.709 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -8.774 14.870 0.486 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -9.432 15.062 -1.128 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -11.094 14.815 1.439 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -10.790 16.310 0.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -12.862 15.598 -0.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -11.807 15.114 -1.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -12.386 13.973 -0.314 1.00 0.00 H new ATOM 42 N ALA A 3 -7.451 10.132 -2.887 1.00 0.00 N ATOM 43 CA ALA A 3 -6.324 9.554 -3.657 1.00 0.00 C ATOM 44 C ALA A 3 -5.054 10.424 -3.586 1.00 0.00 C ATOM 45 O ALA A 3 -4.900 11.378 -4.324 1.00 0.00 O ATOM 46 CB ALA A 3 -6.779 9.388 -5.119 1.00 0.00 C ATOM 0 H ALA A 3 -8.283 10.325 -3.445 1.00 0.00 H new ATOM 0 HA ALA A 3 -6.060 8.591 -3.220 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -5.965 8.963 -5.707 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -7.641 8.722 -5.158 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -7.053 10.361 -5.527 1.00 0.00 H new ATOM 52 N CYS A 4 -4.188 10.053 -2.678 1.00 0.00 N ATOM 53 CA CYS A 4 -2.894 10.775 -2.462 1.00 0.00 C ATOM 54 C CYS A 4 -1.933 10.716 -3.671 1.00 0.00 C ATOM 55 O CYS A 4 -2.303 10.331 -4.764 1.00 0.00 O ATOM 56 CB CYS A 4 -2.220 10.158 -1.213 1.00 0.00 C ATOM 57 SG CYS A 4 -2.626 10.809 0.426 1.00 0.00 S ATOM 0 H CYS A 4 -4.328 9.255 -2.058 1.00 0.00 H new ATOM 0 HA CYS A 4 -3.116 11.833 -2.324 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -2.451 9.093 -1.209 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -1.142 10.250 -1.344 1.00 0.00 H new ATOM 62 N THR A 5 -0.719 11.122 -3.388 1.00 0.00 N ATOM 63 CA THR A 5 0.433 11.179 -4.348 1.00 0.00 C ATOM 64 C THR A 5 0.557 10.048 -5.348 1.00 0.00 C ATOM 65 O THR A 5 1.201 10.232 -6.360 1.00 0.00 O ATOM 66 CB THR A 5 1.755 11.205 -3.556 1.00 0.00 C ATOM 67 OG1 THR A 5 2.825 11.210 -4.489 1.00 0.00 O ATOM 68 CG2 THR A 5 1.960 9.948 -2.674 1.00 0.00 C ATOM 0 H THR A 5 -0.463 11.441 -2.454 1.00 0.00 H new ATOM 0 HA THR A 5 0.231 12.080 -4.927 1.00 0.00 H new ATOM 0 HB THR A 5 1.725 12.085 -2.914 1.00 0.00 H new ATOM 0 HG1 THR A 5 2.465 11.250 -5.400 1.00 0.00 H new ATOM 0 HG21 THR A 5 2.908 10.027 -2.142 1.00 0.00 H new ATOM 0 HG22 THR A 5 1.145 9.872 -1.954 1.00 0.00 H new ATOM 0 HG23 THR A 5 1.971 9.059 -3.305 1.00 0.00 H new ATOM 76 N LEU A 6 -0.049 8.940 -5.014 1.00 0.00 N ATOM 77 CA LEU A 6 -0.039 7.700 -5.836 1.00 0.00 C ATOM 78 C LEU A 6 1.412 7.307 -6.160 1.00 0.00 C ATOM 79 O LEU A 6 1.634 6.391 -6.929 1.00 0.00 O ATOM 80 CB LEU A 6 -0.914 7.859 -7.167 1.00 0.00 C ATOM 81 CG LEU A 6 -0.623 9.031 -8.089 1.00 0.00 C ATOM 82 CD1 LEU A 6 0.724 8.868 -8.843 1.00 0.00 C ATOM 83 CD2 LEU A 6 -1.761 9.156 -9.127 1.00 0.00 C ATOM 0 H LEU A 6 -0.582 8.844 -4.150 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.500 6.900 -5.257 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -0.802 6.944 -7.749 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -1.961 7.922 -6.870 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.555 9.926 -7.470 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.886 9.731 -9.489 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.538 8.796 -8.122 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.695 7.962 -9.448 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.557 9.996 -9.791 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.823 8.238 -9.711 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.707 9.323 -8.612 1.00 0.00 H new ATOM 95 N ASN A 7 2.370 8.008 -5.567 1.00 0.00 N ATOM 96 CA ASN A 7 3.789 7.683 -5.814 1.00 0.00 C ATOM 97 C ASN A 7 4.117 6.387 -5.065 1.00 0.00 C ATOM 98 O ASN A 7 3.362 5.945 -4.220 1.00 0.00 O ATOM 99 CB ASN A 7 4.701 8.821 -5.305 1.00 0.00 C ATOM 100 CG ASN A 7 4.631 10.060 -6.217 1.00 0.00 C ATOM 101 OD1 ASN A 7 5.344 11.022 -6.012 1.00 0.00 O ATOM 102 ND2 ASN A 7 3.804 10.097 -7.226 1.00 0.00 N ATOM 0 H ASN A 7 2.209 8.786 -4.927 1.00 0.00 H new ATOM 0 HA ASN A 7 3.959 7.562 -6.884 1.00 0.00 H new ATOM 0 HB2 ASN A 7 4.407 9.098 -4.293 1.00 0.00 H new ATOM 0 HB3 ASN A 7 5.730 8.466 -5.252 1.00 0.00 H new ATOM 0 HD21 ASN A 7 3.766 10.922 -7.824 1.00 0.00 H new ATOM 0 HD22 ASN A 7 3.196 9.300 -7.417 1.00 0.00 H new ATOM 109 N CYS A 8 5.244 5.823 -5.401 1.00 0.00 N ATOM 110 CA CYS A 8 5.680 4.552 -4.752 1.00 0.00 C ATOM 111 C CYS A 8 6.071 4.765 -3.286 1.00 0.00 C ATOM 112 O CYS A 8 6.884 5.619 -2.986 1.00 0.00 O ATOM 113 CB CYS A 8 6.893 3.968 -5.508 1.00 0.00 C ATOM 114 SG CYS A 8 7.330 4.595 -7.152 1.00 0.00 S ATOM 0 H CYS A 8 5.887 6.190 -6.102 1.00 0.00 H new ATOM 0 HA CYS A 8 4.837 3.862 -4.788 1.00 0.00 H new ATOM 0 HB2 CYS A 8 7.766 4.100 -4.869 1.00 0.00 H new ATOM 0 HB3 CYS A 8 6.728 2.895 -5.605 1.00 0.00 H new ATOM 119 N ASP A 9 5.476 3.980 -2.422 1.00 0.00 N ATOM 120 CA ASP A 9 5.780 4.088 -0.964 1.00 0.00 C ATOM 121 C ASP A 9 6.781 2.956 -0.656 1.00 0.00 C ATOM 122 O ASP A 9 6.531 1.836 -1.053 1.00 0.00 O ATOM 123 CB ASP A 9 4.482 3.899 -0.181 1.00 0.00 C ATOM 124 CG ASP A 9 4.754 3.979 1.330 1.00 0.00 C ATOM 125 OD1 ASP A 9 5.198 2.972 1.855 1.00 0.00 O ATOM 126 OD2 ASP A 9 4.504 5.040 1.877 1.00 0.00 O ATOM 0 H ASP A 9 4.790 3.266 -2.667 1.00 0.00 H new ATOM 0 HA ASP A 9 6.200 5.055 -0.689 1.00 0.00 H new ATOM 0 HB2 ASP A 9 3.761 4.664 -0.469 1.00 0.00 H new ATOM 0 HB3 ASP A 9 4.038 2.934 -0.427 1.00 0.00 H new ATOM 131 N PRO A 10 7.867 3.246 0.031 1.00 0.00 N ATOM 132 CA PRO A 10 8.986 2.269 0.223 1.00 0.00 C ATOM 133 C PRO A 10 8.489 0.943 0.816 1.00 0.00 C ATOM 134 O PRO A 10 9.030 -0.112 0.545 1.00 0.00 O ATOM 135 CB PRO A 10 9.998 2.965 1.137 1.00 0.00 C ATOM 136 CG PRO A 10 9.380 4.307 1.566 1.00 0.00 C ATOM 137 CD PRO A 10 8.132 4.553 0.705 1.00 0.00 C ATOM 0 HA PRO A 10 9.442 1.998 -0.729 1.00 0.00 H new ATOM 0 HB2 PRO A 10 10.218 2.347 2.008 1.00 0.00 H new ATOM 0 HB3 PRO A 10 10.941 3.126 0.614 1.00 0.00 H new ATOM 0 HG2 PRO A 10 9.115 4.284 2.623 1.00 0.00 H new ATOM 0 HG3 PRO A 10 10.098 5.116 1.435 1.00 0.00 H new ATOM 0 HD2 PRO A 10 7.284 4.861 1.317 1.00 0.00 H new ATOM 0 HD3 PRO A 10 8.304 5.345 -0.023 1.00 0.00 H new ATOM 145 N ARG A 11 7.462 1.066 1.611 1.00 0.00 N ATOM 146 CA ARG A 11 6.837 -0.114 2.282 1.00 0.00 C ATOM 147 C ARG A 11 5.941 -0.861 1.285 1.00 0.00 C ATOM 148 O ARG A 11 5.830 -2.070 1.336 1.00 0.00 O ATOM 149 CB ARG A 11 5.980 0.361 3.469 1.00 0.00 C ATOM 150 CG ARG A 11 6.806 1.281 4.401 1.00 0.00 C ATOM 151 CD ARG A 11 5.886 1.942 5.446 1.00 0.00 C ATOM 152 NE ARG A 11 4.934 2.858 4.732 1.00 0.00 N ATOM 153 CZ ARG A 11 3.666 2.571 4.549 1.00 0.00 C ATOM 154 NH1 ARG A 11 3.153 1.452 4.986 1.00 0.00 N ATOM 155 NH2 ARG A 11 2.933 3.440 3.912 1.00 0.00 N ATOM 0 H ARG A 11 7.017 1.957 1.830 1.00 0.00 H new ATOM 0 HA ARG A 11 7.623 -0.779 2.638 1.00 0.00 H new ATOM 0 HB2 ARG A 11 5.105 0.897 3.102 1.00 0.00 H new ATOM 0 HB3 ARG A 11 5.615 -0.500 4.029 1.00 0.00 H new ATOM 0 HG2 ARG A 11 7.581 0.702 4.903 1.00 0.00 H new ATOM 0 HG3 ARG A 11 7.311 2.048 3.813 1.00 0.00 H new ATOM 0 HD2 ARG A 11 5.336 1.182 6.001 1.00 0.00 H new ATOM 0 HD3 ARG A 11 6.477 2.501 6.171 1.00 0.00 H new ATOM 0 HE ARG A 11 5.289 3.744 4.373 1.00 0.00 H new ATOM 0 HH11 ARG A 11 3.740 0.781 5.481 1.00 0.00 H new ATOM 0 HH12 ARG A 11 2.165 1.250 4.833 1.00 0.00 H new ATOM 0 HH21 ARG A 11 3.349 4.308 3.575 1.00 0.00 H new ATOM 0 HH22 ARG A 11 1.944 3.252 3.751 1.00 0.00 H new ATOM 169 N ILE A 12 5.333 -0.106 0.403 1.00 0.00 N ATOM 170 CA ILE A 12 4.421 -0.693 -0.626 1.00 0.00 C ATOM 171 C ILE A 12 5.170 -1.144 -1.883 1.00 0.00 C ATOM 172 O ILE A 12 6.139 -0.539 -2.298 1.00 0.00 O ATOM 173 CB ILE A 12 3.361 0.364 -1.026 1.00 0.00 C ATOM 174 CG1 ILE A 12 2.652 0.972 0.214 1.00 0.00 C ATOM 175 CG2 ILE A 12 2.309 -0.237 -1.997 1.00 0.00 C ATOM 176 CD1 ILE A 12 1.944 -0.075 1.051 1.00 0.00 C ATOM 0 H ILE A 12 5.432 0.908 0.353 1.00 0.00 H new ATOM 0 HA ILE A 12 3.953 -1.573 -0.185 1.00 0.00 H new ATOM 0 HB ILE A 12 3.894 1.166 -1.537 1.00 0.00 H new ATOM 0 HG12 ILE A 12 3.387 1.489 0.831 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.929 1.719 -0.115 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.578 0.528 -2.260 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.807 -0.589 -2.900 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.802 -1.072 -1.513 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.465 0.404 1.905 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.188 -0.575 0.445 1.00 0.00 H new ATOM 0 HD13 ILE A 12 2.668 -0.808 1.406 1.00 0.00 H new ATOM 188 N ALA A 13 4.662 -2.214 -2.434 1.00 0.00 N ATOM 189 CA ALA A 13 5.238 -2.812 -3.676 1.00 0.00 C ATOM 190 C ALA A 13 4.151 -2.761 -4.742 1.00 0.00 C ATOM 191 O ALA A 13 4.337 -2.207 -5.807 1.00 0.00 O ATOM 192 CB ALA A 13 5.628 -4.252 -3.415 1.00 0.00 C ATOM 0 H ALA A 13 3.851 -2.711 -2.066 1.00 0.00 H new ATOM 0 HA ALA A 13 6.126 -2.267 -3.997 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.048 -4.686 -4.323 1.00 0.00 H new ATOM 0 HB2 ALA A 13 6.371 -4.289 -2.618 1.00 0.00 H new ATOM 0 HB3 ALA A 13 4.747 -4.819 -3.116 1.00 0.00 H new ATOM 198 N TYR A 14 3.034 -3.352 -4.408 1.00 0.00 N ATOM 199 CA TYR A 14 1.872 -3.389 -5.346 1.00 0.00 C ATOM 200 C TYR A 14 0.618 -3.735 -4.555 1.00 0.00 C ATOM 201 O TYR A 14 0.676 -3.814 -3.343 1.00 0.00 O ATOM 202 CB TYR A 14 2.140 -4.445 -6.446 1.00 0.00 C ATOM 203 CG TYR A 14 2.487 -5.811 -5.858 1.00 0.00 C ATOM 204 CD1 TYR A 14 3.783 -6.117 -5.515 1.00 0.00 C ATOM 205 CD2 TYR A 14 1.504 -6.753 -5.667 1.00 0.00 C ATOM 206 CE1 TYR A 14 4.095 -7.347 -4.990 1.00 0.00 C ATOM 207 CE2 TYR A 14 1.812 -7.986 -5.141 1.00 0.00 C ATOM 208 CZ TYR A 14 3.112 -8.295 -4.797 1.00 0.00 C ATOM 209 OH TYR A 14 3.423 -9.530 -4.267 1.00 0.00 O ATOM 0 H TYR A 14 2.875 -3.817 -3.514 1.00 0.00 H new ATOM 0 HA TYR A 14 1.732 -2.420 -5.825 1.00 0.00 H new ATOM 0 HB2 TYR A 14 1.259 -4.537 -7.082 1.00 0.00 H new ATOM 0 HB3 TYR A 14 2.958 -4.106 -7.082 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.562 -5.384 -5.660 1.00 0.00 H new ATOM 0 HD2 TYR A 14 0.483 -6.523 -5.932 1.00 0.00 H new ATOM 0 HE1 TYR A 14 5.118 -7.574 -4.726 1.00 0.00 H new ATOM 0 HE2 TYR A 14 1.031 -8.717 -4.996 1.00 0.00 H new ATOM 0 HH TYR A 14 2.609 -10.071 -4.200 1.00 0.00 H new ATOM 219 N GLY A 15 -0.476 -3.932 -5.246 1.00 0.00 N ATOM 220 CA GLY A 15 -1.733 -4.272 -4.518 1.00 0.00 C ATOM 221 C GLY A 15 -2.817 -4.937 -5.360 1.00 0.00 C ATOM 222 O GLY A 15 -2.825 -4.840 -6.572 1.00 0.00 O ATOM 0 H GLY A 15 -0.553 -3.874 -6.261 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -1.485 -4.933 -3.688 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -2.141 -3.358 -4.086 1.00 0.00 H new ATOM 226 N VAL A 16 -3.703 -5.597 -4.653 1.00 0.00 N ATOM 227 CA VAL A 16 -4.848 -6.320 -5.302 1.00 0.00 C ATOM 228 C VAL A 16 -6.179 -5.705 -4.843 1.00 0.00 C ATOM 229 O VAL A 16 -6.524 -5.799 -3.680 1.00 0.00 O ATOM 230 CB VAL A 16 -4.757 -7.824 -4.906 1.00 0.00 C ATOM 231 CG1 VAL A 16 -6.062 -8.584 -5.233 1.00 0.00 C ATOM 232 CG2 VAL A 16 -3.606 -8.476 -5.694 1.00 0.00 C ATOM 0 H VAL A 16 -3.682 -5.667 -3.636 1.00 0.00 H new ATOM 0 HA VAL A 16 -4.798 -6.228 -6.387 1.00 0.00 H new ATOM 0 HB VAL A 16 -4.586 -7.879 -3.831 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -5.957 -9.629 -4.942 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.891 -8.136 -4.685 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -6.260 -8.524 -6.303 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.532 -9.530 -5.425 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.801 -8.387 -6.763 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -2.669 -7.974 -5.453 1.00 0.00 H new ATOM 242 N CYS A 17 -6.877 -5.100 -5.775 1.00 0.00 N ATOM 243 CA CYS A 17 -8.197 -4.453 -5.479 1.00 0.00 C ATOM 244 C CYS A 17 -9.360 -5.247 -6.110 1.00 0.00 C ATOM 245 O CYS A 17 -9.138 -5.995 -7.042 1.00 0.00 O ATOM 246 CB CYS A 17 -8.176 -3.017 -6.034 1.00 0.00 C ATOM 247 SG CYS A 17 -6.975 -1.834 -5.376 1.00 0.00 S ATOM 0 H CYS A 17 -6.581 -5.026 -6.748 1.00 0.00 H new ATOM 0 HA CYS A 17 -8.353 -4.438 -4.400 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -8.015 -3.083 -7.110 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -9.169 -2.593 -5.885 1.00 0.00 H new ATOM 252 N PRO A 18 -10.565 -5.076 -5.598 1.00 0.00 N ATOM 253 CA PRO A 18 -11.794 -5.681 -6.199 1.00 0.00 C ATOM 254 C PRO A 18 -11.928 -5.349 -7.696 1.00 0.00 C ATOM 255 O PRO A 18 -11.567 -4.271 -8.125 1.00 0.00 O ATOM 256 CB PRO A 18 -12.971 -5.137 -5.386 1.00 0.00 C ATOM 257 CG PRO A 18 -12.388 -4.371 -4.184 1.00 0.00 C ATOM 258 CD PRO A 18 -10.866 -4.277 -4.369 1.00 0.00 C ATOM 0 HA PRO A 18 -11.755 -6.769 -6.155 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -13.588 -4.479 -5.998 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -13.612 -5.951 -5.048 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -12.826 -3.375 -4.119 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -12.627 -4.885 -3.253 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -10.548 -3.241 -4.486 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -10.339 -4.676 -3.502 1.00 0.00 H new ATOM 266 N ARG A 19 -12.446 -6.303 -8.435 1.00 0.00 N ATOM 267 CA ARG A 19 -12.654 -6.161 -9.917 1.00 0.00 C ATOM 268 C ARG A 19 -11.341 -5.792 -10.636 1.00 0.00 C ATOM 269 O ARG A 19 -11.327 -5.166 -11.679 1.00 0.00 O ATOM 270 CB ARG A 19 -13.753 -5.070 -10.155 1.00 0.00 C ATOM 271 CG ARG A 19 -15.150 -5.723 -10.269 1.00 0.00 C ATOM 272 CD ARG A 19 -15.528 -6.421 -8.942 1.00 0.00 C ATOM 273 NE ARG A 19 -16.913 -6.976 -9.073 1.00 0.00 N ATOM 274 CZ ARG A 19 -17.978 -6.227 -8.920 1.00 0.00 C ATOM 275 NH1 ARG A 19 -17.866 -4.953 -8.645 1.00 0.00 N ATOM 276 NH2 ARG A 19 -19.146 -6.791 -9.050 1.00 0.00 N ATOM 0 H ARG A 19 -12.743 -7.204 -8.061 1.00 0.00 H new ATOM 0 HA ARG A 19 -12.981 -7.114 -10.333 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -13.746 -4.353 -9.334 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -13.530 -4.514 -11.065 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -15.894 -4.965 -10.513 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -15.154 -6.448 -11.083 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -14.820 -7.219 -8.719 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -15.481 -5.713 -8.115 1.00 0.00 H new ATOM 0 HE ARG A 19 -17.031 -7.966 -9.288 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -16.942 -4.532 -8.547 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -18.702 -4.381 -8.528 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -19.211 -7.786 -9.264 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -19.995 -6.237 -8.937 1.00 0.00 H new ATOM 290 N SER A 20 -10.272 -6.219 -10.019 1.00 0.00 N ATOM 291 CA SER A 20 -8.885 -5.984 -10.522 1.00 0.00 C ATOM 292 C SER A 20 -7.975 -6.816 -9.608 1.00 0.00 C ATOM 293 O SER A 20 -7.155 -6.311 -8.864 1.00 0.00 O ATOM 294 CB SER A 20 -8.562 -4.464 -10.430 1.00 0.00 C ATOM 295 OG SER A 20 -8.805 -4.103 -9.077 1.00 0.00 O ATOM 0 H SER A 20 -10.306 -6.746 -9.146 1.00 0.00 H new ATOM 0 HA SER A 20 -8.750 -6.275 -11.564 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.527 -4.266 -10.709 1.00 0.00 H new ATOM 0 HB3 SER A 20 -9.191 -3.888 -11.109 1.00 0.00 H new ATOM 0 HG SER A 20 -8.733 -4.898 -8.508 1.00 0.00 H new ATOM 301 N GLU A 21 -8.175 -8.101 -9.720 1.00 0.00 N ATOM 302 CA GLU A 21 -7.411 -9.089 -8.924 1.00 0.00 C ATOM 303 C GLU A 21 -5.966 -9.242 -9.418 1.00 0.00 C ATOM 304 O GLU A 21 -5.099 -8.548 -8.923 1.00 0.00 O ATOM 305 CB GLU A 21 -8.185 -10.438 -8.992 1.00 0.00 C ATOM 306 CG GLU A 21 -9.492 -10.379 -8.145 1.00 0.00 C ATOM 307 CD GLU A 21 -10.399 -9.197 -8.556 1.00 0.00 C ATOM 308 OE1 GLU A 21 -10.914 -9.241 -9.660 1.00 0.00 O ATOM 309 OE2 GLU A 21 -10.524 -8.308 -7.730 1.00 0.00 O ATOM 0 H GLU A 21 -8.860 -8.514 -10.353 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.329 -8.747 -7.892 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.430 -10.668 -10.029 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.548 -11.245 -8.628 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.041 -11.314 -8.261 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.236 -10.289 -7.089 1.00 0.00 H new ATOM 316 N GLU A 22 -5.745 -10.127 -10.364 1.00 0.00 N ATOM 317 CA GLU A 22 -4.373 -10.367 -10.927 1.00 0.00 C ATOM 318 C GLU A 22 -3.422 -10.994 -9.887 1.00 0.00 C ATOM 319 O GLU A 22 -3.392 -10.599 -8.737 1.00 0.00 O ATOM 320 CB GLU A 22 -3.795 -9.007 -11.443 1.00 0.00 C ATOM 321 CG GLU A 22 -3.094 -9.174 -12.810 1.00 0.00 C ATOM 322 CD GLU A 22 -1.780 -9.962 -12.641 1.00 0.00 C ATOM 323 OE1 GLU A 22 -0.816 -9.323 -12.251 1.00 0.00 O ATOM 324 OE2 GLU A 22 -1.806 -11.152 -12.908 1.00 0.00 O ATOM 0 H GLU A 22 -6.475 -10.706 -10.779 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.456 -11.078 -11.749 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.601 -8.278 -11.532 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.087 -8.612 -10.715 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.753 -9.696 -13.504 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.887 -8.195 -13.243 1.00 0.00 H new ATOM 331 N LYS A 23 -2.673 -11.966 -10.342 1.00 0.00 N ATOM 332 CA LYS A 23 -1.689 -12.694 -9.477 1.00 0.00 C ATOM 333 C LYS A 23 -0.587 -11.754 -8.952 1.00 0.00 C ATOM 334 O LYS A 23 -0.041 -11.980 -7.890 1.00 0.00 O ATOM 335 CB LYS A 23 -1.081 -13.840 -10.331 1.00 0.00 C ATOM 336 CG LYS A 23 0.063 -14.643 -9.627 1.00 0.00 C ATOM 337 CD LYS A 23 -0.435 -15.736 -8.636 1.00 0.00 C ATOM 338 CE LYS A 23 -1.177 -15.165 -7.416 1.00 0.00 C ATOM 339 NZ LYS A 23 -1.396 -16.248 -6.418 1.00 0.00 N ATOM 0 H LYS A 23 -2.703 -12.296 -11.307 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.193 -13.095 -8.597 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -1.877 -14.532 -10.605 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -0.693 -13.418 -11.258 1.00 0.00 H new ATOM 0 HG2 LYS A 23 0.681 -15.116 -10.390 1.00 0.00 H new ATOM 0 HG3 LYS A 23 0.702 -13.944 -9.087 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.097 -16.421 -9.166 1.00 0.00 H new ATOM 0 HD3 LYS A 23 0.419 -16.319 -8.292 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -0.598 -14.356 -6.970 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -2.133 -14.740 -7.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -1.898 -15.863 -5.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -1.965 -17.005 -6.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -0.478 -16.633 -6.117 1.00 0.00 H new ATOM 353 N LYS A 24 -0.311 -10.735 -9.728 1.00 0.00 N ATOM 354 CA LYS A 24 0.728 -9.705 -9.407 1.00 0.00 C ATOM 355 C LYS A 24 2.132 -10.279 -9.536 1.00 0.00 C ATOM 356 O LYS A 24 2.524 -11.178 -8.815 1.00 0.00 O ATOM 357 CB LYS A 24 0.562 -9.141 -7.953 1.00 0.00 C ATOM 358 CG LYS A 24 -0.899 -8.759 -7.640 1.00 0.00 C ATOM 359 CD LYS A 24 -1.482 -7.728 -8.652 1.00 0.00 C ATOM 360 CE LYS A 24 -0.819 -6.335 -8.536 1.00 0.00 C ATOM 361 NZ LYS A 24 0.607 -6.355 -8.976 1.00 0.00 N ATOM 0 H LYS A 24 -0.788 -10.568 -10.614 1.00 0.00 H new ATOM 0 HA LYS A 24 0.587 -8.898 -10.126 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.903 -9.887 -7.235 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.199 -8.265 -7.830 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.515 -9.658 -7.649 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.954 -8.345 -6.633 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.349 -8.106 -9.666 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.555 -7.630 -8.487 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.375 -5.618 -9.140 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.875 -5.992 -7.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.844 -5.449 -9.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.223 -6.502 -8.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.750 -7.129 -9.656 1.00 0.00 H new ATOM 375 N ASN A 25 2.838 -9.715 -10.478 1.00 0.00 N ATOM 376 CA ASN A 25 4.234 -10.128 -10.768 1.00 0.00 C ATOM 377 C ASN A 25 4.967 -8.856 -11.233 1.00 0.00 C ATOM 378 O ASN A 25 5.664 -8.841 -12.231 1.00 0.00 O ATOM 379 CB ASN A 25 4.185 -11.225 -11.868 1.00 0.00 C ATOM 380 CG ASN A 25 4.408 -12.595 -11.217 1.00 0.00 C ATOM 381 OD1 ASN A 25 5.501 -13.126 -11.210 1.00 0.00 O ATOM 382 ND2 ASN A 25 3.393 -13.198 -10.659 1.00 0.00 N ATOM 0 H ASN A 25 2.491 -8.963 -11.074 1.00 0.00 H new ATOM 0 HA ASN A 25 4.757 -10.548 -9.909 1.00 0.00 H new ATOM 0 HB2 ASN A 25 3.222 -11.203 -12.379 1.00 0.00 H new ATOM 0 HB3 ASN A 25 4.950 -11.037 -12.621 1.00 0.00 H new ATOM 0 HD21 ASN A 25 3.520 -14.110 -10.220 1.00 0.00 H new ATOM 0 HD22 ASN A 25 2.473 -12.757 -10.662 1.00 0.00 H new ATOM 389 N ASP A 26 4.769 -7.813 -10.464 1.00 0.00 N ATOM 390 CA ASP A 26 5.386 -6.491 -10.746 1.00 0.00 C ATOM 391 C ASP A 26 5.110 -5.586 -9.543 1.00 0.00 C ATOM 392 O ASP A 26 3.994 -5.473 -9.072 1.00 0.00 O ATOM 393 CB ASP A 26 4.757 -5.868 -12.026 1.00 0.00 C ATOM 394 CG ASP A 26 4.924 -4.330 -12.017 1.00 0.00 C ATOM 395 OD1 ASP A 26 5.998 -3.898 -12.403 1.00 0.00 O ATOM 396 OD2 ASP A 26 3.972 -3.674 -11.620 1.00 0.00 O ATOM 0 H ASP A 26 4.186 -7.831 -9.627 1.00 0.00 H new ATOM 0 HA ASP A 26 6.458 -6.600 -10.910 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.233 -6.286 -12.913 1.00 0.00 H new ATOM 0 HB3 ASP A 26 3.699 -6.125 -12.081 1.00 0.00 H new ATOM 401 N ARG A 27 6.171 -4.973 -9.103 1.00 0.00 N ATOM 402 CA ARG A 27 6.118 -4.041 -7.949 1.00 0.00 C ATOM 403 C ARG A 27 5.796 -2.669 -8.554 1.00 0.00 C ATOM 404 O ARG A 27 6.656 -1.932 -8.997 1.00 0.00 O ATOM 405 CB ARG A 27 7.496 -4.085 -7.228 1.00 0.00 C ATOM 406 CG ARG A 27 7.663 -2.904 -6.222 1.00 0.00 C ATOM 407 CD ARG A 27 8.808 -1.975 -6.657 1.00 0.00 C ATOM 408 NE ARG A 27 10.077 -2.768 -6.626 1.00 0.00 N ATOM 409 CZ ARG A 27 11.244 -2.208 -6.823 1.00 0.00 C ATOM 410 NH1 ARG A 27 11.336 -0.924 -7.056 1.00 0.00 N ATOM 411 NH2 ARG A 27 12.301 -2.969 -6.779 1.00 0.00 N ATOM 0 H ARG A 27 7.100 -5.084 -9.509 1.00 0.00 H new ATOM 0 HA ARG A 27 5.367 -4.293 -7.201 1.00 0.00 H new ATOM 0 HB2 ARG A 27 7.598 -5.032 -6.697 1.00 0.00 H new ATOM 0 HB3 ARG A 27 8.295 -4.047 -7.969 1.00 0.00 H new ATOM 0 HG2 ARG A 27 6.733 -2.339 -6.160 1.00 0.00 H new ATOM 0 HG3 ARG A 27 7.865 -3.295 -5.225 1.00 0.00 H new ATOM 0 HD2 ARG A 27 8.625 -1.586 -7.659 1.00 0.00 H new ATOM 0 HD3 ARG A 27 8.878 -1.116 -5.989 1.00 0.00 H new ATOM 0 HE ARG A 27 10.031 -3.771 -6.447 1.00 0.00 H new ATOM 0 HH11 ARG A 27 10.494 -0.349 -7.085 1.00 0.00 H new ATOM 0 HH12 ARG A 27 12.250 -0.497 -7.208 1.00 0.00 H new ATOM 0 HH21 ARG A 27 12.203 -3.968 -6.596 1.00 0.00 H new ATOM 0 HH22 ARG A 27 13.226 -2.566 -6.928 1.00 0.00 H new ATOM 425 N ILE A 28 4.518 -2.404 -8.543 1.00 0.00 N ATOM 426 CA ILE A 28 3.923 -1.146 -9.065 1.00 0.00 C ATOM 427 C ILE A 28 4.443 0.031 -8.197 1.00 0.00 C ATOM 428 O ILE A 28 5.242 -0.154 -7.298 1.00 0.00 O ATOM 429 CB ILE A 28 2.364 -1.259 -8.976 1.00 0.00 C ATOM 430 CG1 ILE A 28 1.815 -2.692 -9.338 1.00 0.00 C ATOM 431 CG2 ILE A 28 1.721 -0.318 -10.014 1.00 0.00 C ATOM 432 CD1 ILE A 28 0.400 -2.873 -8.758 1.00 0.00 C ATOM 0 H ILE A 28 3.825 -3.052 -8.169 1.00 0.00 H new ATOM 0 HA ILE A 28 4.203 -0.974 -10.104 1.00 0.00 H new ATOM 0 HB ILE A 28 2.116 -1.015 -7.943 1.00 0.00 H new ATOM 0 HG12 ILE A 28 1.793 -2.820 -10.420 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.481 -3.457 -8.940 1.00 0.00 H new ATOM 0 HG21 ILE A 28 0.636 -0.396 -9.953 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.023 0.709 -9.810 1.00 0.00 H new ATOM 0 HG23 ILE A 28 2.049 -0.601 -11.014 1.00 0.00 H new ATOM 0 HD11 ILE A 28 0.027 -3.865 -9.012 1.00 0.00 H new ATOM 0 HD12 ILE A 28 0.435 -2.765 -7.674 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -0.264 -2.117 -9.177 1.00 0.00 H new ATOM 444 N CYS A 29 3.969 1.209 -8.498 1.00 0.00 N ATOM 445 CA CYS A 29 4.369 2.440 -7.757 1.00 0.00 C ATOM 446 C CYS A 29 3.121 3.106 -7.158 1.00 0.00 C ATOM 447 O CYS A 29 2.386 3.786 -7.848 1.00 0.00 O ATOM 448 CB CYS A 29 5.065 3.384 -8.737 1.00 0.00 C ATOM 449 SG CYS A 29 5.567 4.981 -8.059 1.00 0.00 S ATOM 0 H CYS A 29 3.300 1.374 -9.250 1.00 0.00 H new ATOM 0 HA CYS A 29 5.050 2.194 -6.942 1.00 0.00 H new ATOM 0 HB2 CYS A 29 5.949 2.883 -9.131 1.00 0.00 H new ATOM 0 HB3 CYS A 29 4.397 3.561 -9.580 1.00 0.00 H new ATOM 454 N THR A 30 2.922 2.882 -5.882 1.00 0.00 N ATOM 455 CA THR A 30 1.743 3.470 -5.175 1.00 0.00 C ATOM 456 C THR A 30 1.941 3.473 -3.644 1.00 0.00 C ATOM 457 O THR A 30 2.863 2.871 -3.126 1.00 0.00 O ATOM 458 CB THR A 30 0.486 2.641 -5.599 1.00 0.00 C ATOM 459 OG1 THR A 30 -0.612 3.194 -4.885 1.00 0.00 O ATOM 460 CG2 THR A 30 0.563 1.166 -5.156 1.00 0.00 C ATOM 0 H THR A 30 3.532 2.312 -5.296 1.00 0.00 H new ATOM 0 HA THR A 30 1.615 4.515 -5.456 1.00 0.00 H new ATOM 0 HB THR A 30 0.403 2.680 -6.685 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.449 2.820 -5.231 1.00 0.00 H new ATOM 0 HG21 THR A 30 -0.337 0.642 -5.478 1.00 0.00 H new ATOM 0 HG22 THR A 30 1.438 0.696 -5.606 1.00 0.00 H new ATOM 0 HG23 THR A 30 0.643 1.116 -4.070 1.00 0.00 H new ATOM 468 N ASN A 31 1.046 4.172 -2.989 1.00 0.00 N ATOM 469 CA ASN A 31 1.052 4.306 -1.498 1.00 0.00 C ATOM 470 C ASN A 31 -0.320 3.926 -0.912 1.00 0.00 C ATOM 471 O ASN A 31 -1.274 3.725 -1.640 1.00 0.00 O ATOM 472 CB ASN A 31 1.404 5.771 -1.109 1.00 0.00 C ATOM 473 CG ASN A 31 0.549 6.778 -1.854 1.00 0.00 C ATOM 474 OD1 ASN A 31 0.494 6.792 -3.067 1.00 0.00 O ATOM 475 ND2 ASN A 31 -0.132 7.644 -1.168 1.00 0.00 N ATOM 0 H ASN A 31 0.284 4.673 -3.445 1.00 0.00 H new ATOM 0 HA ASN A 31 1.801 3.628 -1.089 1.00 0.00 H new ATOM 0 HB2 ASN A 31 1.268 5.904 -0.036 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.456 5.960 -1.323 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -0.711 8.333 -1.648 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -0.088 7.635 -0.149 1.00 0.00 H new ATOM 482 N CYS A 32 -0.364 3.843 0.395 1.00 0.00 N ATOM 483 CA CYS A 32 -1.624 3.477 1.120 1.00 0.00 C ATOM 484 C CYS A 32 -2.779 4.462 0.866 1.00 0.00 C ATOM 485 O CYS A 32 -3.794 4.083 0.316 1.00 0.00 O ATOM 486 CB CYS A 32 -1.330 3.420 2.637 1.00 0.00 C ATOM 487 SG CYS A 32 -2.629 2.749 3.707 1.00 0.00 S ATOM 0 H CYS A 32 0.436 4.017 1.003 1.00 0.00 H new ATOM 0 HA CYS A 32 -1.945 2.507 0.740 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -0.429 2.824 2.784 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -1.102 4.431 2.975 1.00 0.00 H new ATOM 492 N CYS A 33 -2.585 5.696 1.264 1.00 0.00 N ATOM 493 CA CYS A 33 -3.637 6.747 1.081 1.00 0.00 C ATOM 494 C CYS A 33 -4.132 6.918 -0.361 1.00 0.00 C ATOM 495 O CYS A 33 -5.250 7.347 -0.579 1.00 0.00 O ATOM 496 CB CYS A 33 -3.088 8.085 1.590 1.00 0.00 C ATOM 497 SG CYS A 33 -4.041 9.551 1.123 1.00 0.00 S ATOM 0 H CYS A 33 -1.731 6.025 1.714 1.00 0.00 H new ATOM 0 HA CYS A 33 -4.504 6.415 1.652 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -3.030 8.043 2.678 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -2.069 8.203 1.221 1.00 0.00 H new ATOM 502 N ALA A 34 -3.292 6.579 -1.303 1.00 0.00 N ATOM 503 CA ALA A 34 -3.689 6.710 -2.740 1.00 0.00 C ATOM 504 C ALA A 34 -4.661 5.607 -3.165 1.00 0.00 C ATOM 505 O ALA A 34 -5.573 5.851 -3.933 1.00 0.00 O ATOM 506 CB ALA A 34 -2.437 6.649 -3.603 1.00 0.00 C ATOM 0 H ALA A 34 -2.351 6.218 -1.143 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.199 7.665 -2.870 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -2.714 6.743 -4.653 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -1.767 7.464 -3.330 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.932 5.696 -3.445 1.00 0.00 H new ATOM 512 N GLY A 35 -4.433 4.427 -2.649 1.00 0.00 N ATOM 513 CA GLY A 35 -5.290 3.255 -2.968 1.00 0.00 C ATOM 514 C GLY A 35 -6.757 3.395 -2.533 1.00 0.00 C ATOM 515 O GLY A 35 -7.156 4.413 -1.999 1.00 0.00 O ATOM 0 H GLY A 35 -3.669 4.226 -2.004 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -5.259 3.082 -4.044 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.866 2.372 -2.490 1.00 0.00 H new ATOM 519 N THR A 36 -7.509 2.346 -2.782 1.00 0.00 N ATOM 520 CA THR A 36 -8.960 2.318 -2.422 1.00 0.00 C ATOM 521 C THR A 36 -9.206 1.285 -1.308 1.00 0.00 C ATOM 522 O THR A 36 -8.313 0.574 -0.895 1.00 0.00 O ATOM 523 CB THR A 36 -9.810 1.928 -3.646 1.00 0.00 C ATOM 524 OG1 THR A 36 -9.152 2.470 -4.784 1.00 0.00 O ATOM 525 CG2 THR A 36 -11.173 2.653 -3.667 1.00 0.00 C ATOM 0 H THR A 36 -7.169 1.494 -3.228 1.00 0.00 H new ATOM 0 HA THR A 36 -9.244 3.313 -2.080 1.00 0.00 H new ATOM 0 HB THR A 36 -9.939 0.846 -3.627 1.00 0.00 H new ATOM 0 HG1 THR A 36 -9.658 2.245 -5.593 1.00 0.00 H new ATOM 0 HG21 THR A 36 -11.735 2.345 -4.549 1.00 0.00 H new ATOM 0 HG22 THR A 36 -11.736 2.396 -2.770 1.00 0.00 H new ATOM 0 HG23 THR A 36 -11.012 3.731 -3.698 1.00 0.00 H new ATOM 533 N LYS A 37 -10.434 1.233 -0.864 1.00 0.00 N ATOM 534 CA LYS A 37 -10.839 0.286 0.221 1.00 0.00 C ATOM 535 C LYS A 37 -11.140 -1.068 -0.438 1.00 0.00 C ATOM 536 O LYS A 37 -11.645 -1.121 -1.543 1.00 0.00 O ATOM 537 CB LYS A 37 -12.086 0.902 0.934 1.00 0.00 C ATOM 538 CG LYS A 37 -13.101 -0.142 1.490 1.00 0.00 C ATOM 539 CD LYS A 37 -12.508 -0.975 2.665 1.00 0.00 C ATOM 540 CE LYS A 37 -12.186 -0.088 3.881 1.00 0.00 C ATOM 541 NZ LYS A 37 -11.626 -0.933 4.973 1.00 0.00 N ATOM 0 H LYS A 37 -11.191 1.820 -1.215 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.063 0.130 0.970 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -11.744 1.529 1.757 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -12.605 1.554 0.231 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -13.999 0.373 1.830 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -13.404 -0.814 0.687 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -13.217 -1.750 2.957 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.602 -1.481 2.332 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.471 0.686 3.602 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -13.088 0.419 4.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -11.020 -0.351 5.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -12.404 -1.334 5.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -11.063 -1.704 4.561 1.00 0.00 H new ATOM 555 N GLY A 38 -10.813 -2.117 0.270 1.00 0.00 N ATOM 556 CA GLY A 38 -11.039 -3.501 -0.235 1.00 0.00 C ATOM 557 C GLY A 38 -9.733 -4.013 -0.844 1.00 0.00 C ATOM 558 O GLY A 38 -9.518 -5.207 -0.943 1.00 0.00 O ATOM 0 H GLY A 38 -10.390 -2.070 1.197 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -11.360 -4.153 0.577 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -11.833 -3.507 -0.981 1.00 0.00 H new ATOM 562 N CYS A 39 -8.897 -3.079 -1.233 1.00 0.00 N ATOM 563 CA CYS A 39 -7.586 -3.417 -1.844 1.00 0.00 C ATOM 564 C CYS A 39 -6.650 -4.104 -0.848 1.00 0.00 C ATOM 565 O CYS A 39 -6.942 -4.215 0.326 1.00 0.00 O ATOM 566 CB CYS A 39 -6.944 -2.127 -2.356 1.00 0.00 C ATOM 567 SG CYS A 39 -7.780 -1.170 -3.646 1.00 0.00 S ATOM 0 H CYS A 39 -9.079 -2.079 -1.148 1.00 0.00 H new ATOM 0 HA CYS A 39 -7.754 -4.117 -2.663 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -6.804 -1.468 -1.499 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -5.951 -2.381 -2.728 1.00 0.00 H new ATOM 572 N LYS A 40 -5.542 -4.557 -1.370 1.00 0.00 N ATOM 573 CA LYS A 40 -4.524 -5.248 -0.533 1.00 0.00 C ATOM 574 C LYS A 40 -3.157 -4.818 -1.065 1.00 0.00 C ATOM 575 O LYS A 40 -2.571 -5.495 -1.884 1.00 0.00 O ATOM 576 CB LYS A 40 -4.724 -6.781 -0.660 1.00 0.00 C ATOM 577 CG LYS A 40 -6.188 -7.145 -0.297 1.00 0.00 C ATOM 578 CD LYS A 40 -6.431 -8.670 -0.285 1.00 0.00 C ATOM 579 CE LYS A 40 -5.910 -9.309 1.019 1.00 0.00 C ATOM 580 NZ LYS A 40 -4.423 -9.295 1.086 1.00 0.00 N ATOM 0 H LYS A 40 -5.297 -4.475 -2.357 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.610 -4.990 0.522 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -4.499 -7.105 -1.676 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -4.033 -7.304 0.001 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.429 -6.734 0.683 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -6.864 -6.678 -1.013 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.497 -8.872 -0.391 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -5.934 -9.127 -1.141 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.317 -8.771 1.875 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -6.267 -10.336 1.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -4.093 -10.111 1.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -4.032 -9.347 0.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -4.104 -8.416 1.542 1.00 0.00 H new ATOM 594 N TYR A 41 -2.703 -3.689 -0.579 1.00 0.00 N ATOM 595 CA TYR A 41 -1.392 -3.114 -0.981 1.00 0.00 C ATOM 596 C TYR A 41 -0.296 -3.743 -0.121 1.00 0.00 C ATOM 597 O TYR A 41 -0.153 -3.418 1.040 1.00 0.00 O ATOM 598 CB TYR A 41 -1.458 -1.585 -0.775 1.00 0.00 C ATOM 599 CG TYR A 41 -2.217 -0.864 -1.911 1.00 0.00 C ATOM 600 CD1 TYR A 41 -3.223 -1.470 -2.649 1.00 0.00 C ATOM 601 CD2 TYR A 41 -1.877 0.443 -2.213 1.00 0.00 C ATOM 602 CE1 TYR A 41 -3.863 -0.788 -3.659 1.00 0.00 C ATOM 603 CE2 TYR A 41 -2.522 1.122 -3.226 1.00 0.00 C ATOM 604 CZ TYR A 41 -3.517 0.510 -3.955 1.00 0.00 C ATOM 605 OH TYR A 41 -4.161 1.185 -4.972 1.00 0.00 O ATOM 0 H TYR A 41 -3.210 -3.126 0.104 1.00 0.00 H new ATOM 0 HA TYR A 41 -1.167 -3.322 -2.027 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -1.946 -1.371 0.176 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -0.445 -1.187 -0.710 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -3.507 -2.488 -2.429 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -1.099 0.937 -1.650 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -4.643 -1.276 -4.224 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -2.244 2.142 -3.449 1.00 0.00 H new ATOM 0 HH TYR A 41 -5.079 0.851 -5.056 1.00 0.00 H new ATOM 615 N PHE A 42 0.449 -4.631 -0.721 1.00 0.00 N ATOM 616 CA PHE A 42 1.552 -5.331 -0.007 1.00 0.00 C ATOM 617 C PHE A 42 2.937 -4.997 -0.521 1.00 0.00 C ATOM 618 O PHE A 42 3.114 -4.456 -1.597 1.00 0.00 O ATOM 619 CB PHE A 42 1.395 -6.857 -0.122 1.00 0.00 C ATOM 620 CG PHE A 42 0.275 -7.292 -1.066 1.00 0.00 C ATOM 621 CD1 PHE A 42 0.312 -7.027 -2.423 1.00 0.00 C ATOM 622 CD2 PHE A 42 -0.791 -7.982 -0.533 1.00 0.00 C ATOM 623 CE1 PHE A 42 -0.721 -7.461 -3.229 1.00 0.00 C ATOM 624 CE2 PHE A 42 -1.814 -8.413 -1.337 1.00 0.00 C ATOM 625 CZ PHE A 42 -1.778 -8.153 -2.683 1.00 0.00 C ATOM 0 H PHE A 42 0.336 -4.906 -1.697 1.00 0.00 H new ATOM 0 HA PHE A 42 1.470 -4.984 1.023 1.00 0.00 H new ATOM 0 HB2 PHE A 42 2.336 -7.285 -0.468 1.00 0.00 H new ATOM 0 HB3 PHE A 42 1.203 -7.269 0.869 1.00 0.00 H new ATOM 0 HD1 PHE A 42 1.143 -6.484 -2.849 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -0.821 -8.185 0.527 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -0.700 -7.257 -4.289 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -2.646 -8.955 -0.912 1.00 0.00 H new ATOM 0 HZ PHE A 42 -2.583 -8.493 -3.318 1.00 0.00 H new ATOM 635 N SER A 43 3.861 -5.359 0.334 1.00 0.00 N ATOM 636 CA SER A 43 5.307 -5.172 0.096 1.00 0.00 C ATOM 637 C SER A 43 5.778 -6.104 -1.032 1.00 0.00 C ATOM 638 O SER A 43 5.020 -6.877 -1.587 1.00 0.00 O ATOM 639 CB SER A 43 6.042 -5.516 1.365 1.00 0.00 C ATOM 640 OG SER A 43 5.514 -4.688 2.384 1.00 0.00 O ATOM 0 H SER A 43 3.648 -5.798 1.230 1.00 0.00 H new ATOM 0 HA SER A 43 5.505 -4.140 -0.194 1.00 0.00 H new ATOM 0 HB2 SER A 43 5.909 -6.569 1.615 1.00 0.00 H new ATOM 0 HB3 SER A 43 7.113 -5.349 1.248 1.00 0.00 H new ATOM 0 HG SER A 43 5.710 -3.750 2.178 1.00 0.00 H new ATOM 646 N ASP A 44 7.048 -5.980 -1.316 1.00 0.00 N ATOM 647 CA ASP A 44 7.694 -6.802 -2.388 1.00 0.00 C ATOM 648 C ASP A 44 7.844 -8.244 -1.900 1.00 0.00 C ATOM 649 O ASP A 44 7.763 -9.180 -2.672 1.00 0.00 O ATOM 650 CB ASP A 44 9.085 -6.202 -2.719 1.00 0.00 C ATOM 651 CG ASP A 44 9.303 -6.162 -4.246 1.00 0.00 C ATOM 652 OD1 ASP A 44 9.194 -7.220 -4.846 1.00 0.00 O ATOM 653 OD2 ASP A 44 9.570 -5.074 -4.731 1.00 0.00 O ATOM 0 H ASP A 44 7.678 -5.332 -0.843 1.00 0.00 H new ATOM 0 HA ASP A 44 7.077 -6.795 -3.287 1.00 0.00 H new ATOM 0 HB2 ASP A 44 9.161 -5.195 -2.308 1.00 0.00 H new ATOM 0 HB3 ASP A 44 9.867 -6.799 -2.249 1.00 0.00 H new ATOM 658 N ASP A 45 8.058 -8.357 -0.614 1.00 0.00 N ATOM 659 CA ASP A 45 8.226 -9.686 0.045 1.00 0.00 C ATOM 660 C ASP A 45 6.902 -10.471 0.011 1.00 0.00 C ATOM 661 O ASP A 45 6.884 -11.661 0.267 1.00 0.00 O ATOM 662 CB ASP A 45 8.680 -9.438 1.498 1.00 0.00 C ATOM 663 CG ASP A 45 8.791 -10.768 2.268 1.00 0.00 C ATOM 664 OD1 ASP A 45 9.797 -11.430 2.073 1.00 0.00 O ATOM 665 OD2 ASP A 45 7.859 -11.045 3.008 1.00 0.00 O ATOM 0 H ASP A 45 8.125 -7.562 0.022 1.00 0.00 H new ATOM 0 HA ASP A 45 8.972 -10.281 -0.481 1.00 0.00 H new ATOM 0 HB2 ASP A 45 9.644 -8.929 1.501 1.00 0.00 H new ATOM 0 HB3 ASP A 45 7.970 -8.780 1.999 1.00 0.00 H new ATOM 670 N GLY A 46 5.834 -9.780 -0.305 1.00 0.00 N ATOM 671 CA GLY A 46 4.501 -10.408 -0.369 1.00 0.00 C ATOM 672 C GLY A 46 4.008 -10.471 1.070 1.00 0.00 C ATOM 673 O GLY A 46 3.928 -11.527 1.666 1.00 0.00 O ATOM 0 H GLY A 46 5.843 -8.784 -0.524 1.00 0.00 H new ATOM 0 HA2 GLY A 46 3.822 -9.824 -0.991 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.558 -11.404 -0.808 1.00 0.00 H new ATOM 677 N THR A 47 3.694 -9.302 1.566 1.00 0.00 N ATOM 678 CA THR A 47 3.197 -9.127 2.944 1.00 0.00 C ATOM 679 C THR A 47 2.334 -7.860 2.970 1.00 0.00 C ATOM 680 O THR A 47 2.819 -6.764 2.767 1.00 0.00 O ATOM 681 CB THR A 47 4.405 -8.982 3.881 1.00 0.00 C ATOM 682 OG1 THR A 47 5.112 -10.213 3.798 1.00 0.00 O ATOM 683 CG2 THR A 47 3.983 -8.874 5.358 1.00 0.00 C ATOM 0 H THR A 47 3.769 -8.431 1.040 1.00 0.00 H new ATOM 0 HA THR A 47 2.601 -9.979 3.270 1.00 0.00 H new ATOM 0 HB THR A 47 4.967 -8.094 3.591 1.00 0.00 H new ATOM 0 HG1 THR A 47 6.014 -10.050 3.451 1.00 0.00 H new ATOM 0 HG21 THR A 47 4.870 -8.773 5.983 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.344 -8.001 5.491 1.00 0.00 H new ATOM 0 HG23 THR A 47 3.436 -9.771 5.647 1.00 0.00 H new ATOM 691 N PHE A 48 1.068 -8.083 3.223 1.00 0.00 N ATOM 692 CA PHE A 48 0.054 -6.986 3.291 1.00 0.00 C ATOM 693 C PHE A 48 0.478 -5.803 4.172 1.00 0.00 C ATOM 694 O PHE A 48 0.708 -5.958 5.356 1.00 0.00 O ATOM 695 CB PHE A 48 -1.276 -7.599 3.816 1.00 0.00 C ATOM 696 CG PHE A 48 -2.341 -6.503 4.031 1.00 0.00 C ATOM 697 CD1 PHE A 48 -2.335 -5.763 5.200 1.00 0.00 C ATOM 698 CD2 PHE A 48 -3.305 -6.234 3.076 1.00 0.00 C ATOM 699 CE1 PHE A 48 -3.264 -4.773 5.419 1.00 0.00 C ATOM 700 CE2 PHE A 48 -4.239 -5.241 3.297 1.00 0.00 C ATOM 701 CZ PHE A 48 -4.217 -4.509 4.468 1.00 0.00 C ATOM 0 H PHE A 48 0.684 -9.013 3.391 1.00 0.00 H new ATOM 0 HA PHE A 48 -0.061 -6.573 2.289 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.647 -8.337 3.105 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -1.094 -8.124 4.754 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -1.588 -5.966 5.953 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -3.327 -6.801 2.157 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.243 -4.205 6.337 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -4.991 -5.036 2.550 1.00 0.00 H new ATOM 0 HZ PHE A 48 -4.948 -3.731 4.635 1.00 0.00 H new ATOM 711 N VAL A 49 0.572 -4.658 3.544 1.00 0.00 N ATOM 712 CA VAL A 49 0.962 -3.407 4.272 1.00 0.00 C ATOM 713 C VAL A 49 -0.274 -2.515 4.511 1.00 0.00 C ATOM 714 O VAL A 49 -0.412 -1.937 5.571 1.00 0.00 O ATOM 715 CB VAL A 49 1.974 -2.608 3.439 1.00 0.00 C ATOM 716 CG1 VAL A 49 2.448 -1.353 4.211 1.00 0.00 C ATOM 717 CG2 VAL A 49 3.183 -3.467 3.113 1.00 0.00 C ATOM 0 H VAL A 49 0.394 -4.533 2.547 1.00 0.00 H new ATOM 0 HA VAL A 49 1.401 -3.696 5.227 1.00 0.00 H new ATOM 0 HB VAL A 49 1.480 -2.301 2.517 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.165 -0.801 3.603 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.591 -0.716 4.430 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.922 -1.657 5.144 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.892 -2.888 2.522 1.00 0.00 H new ATOM 0 HG22 VAL A 49 3.660 -3.790 4.038 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.866 -4.341 2.544 1.00 0.00 H new ATOM 727 N CYS A 50 -1.130 -2.431 3.522 1.00 0.00 N ATOM 728 CA CYS A 50 -2.363 -1.588 3.630 1.00 0.00 C ATOM 729 C CYS A 50 -3.435 -2.114 2.682 1.00 0.00 C ATOM 730 O CYS A 50 -3.201 -3.053 1.953 1.00 0.00 O ATOM 731 CB CYS A 50 -1.987 -0.160 3.260 1.00 0.00 C ATOM 732 SG CYS A 50 -1.781 1.110 4.530 1.00 0.00 S ATOM 0 H CYS A 50 -1.025 -2.918 2.632 1.00 0.00 H new ATOM 0 HA CYS A 50 -2.761 -1.621 4.644 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -1.050 -0.211 2.705 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -2.748 0.201 2.568 1.00 0.00 H new ATOM 737 N GLU A 51 -4.576 -1.480 2.740 1.00 0.00 N ATOM 738 CA GLU A 51 -5.738 -1.850 1.880 1.00 0.00 C ATOM 739 C GLU A 51 -6.158 -0.497 1.279 1.00 0.00 C ATOM 740 O GLU A 51 -7.257 -0.013 1.464 1.00 0.00 O ATOM 741 CB GLU A 51 -6.841 -2.506 2.797 1.00 0.00 C ATOM 742 CG GLU A 51 -8.276 -2.398 2.192 1.00 0.00 C ATOM 743 CD GLU A 51 -9.191 -3.493 2.760 1.00 0.00 C ATOM 744 OE1 GLU A 51 -9.095 -4.593 2.238 1.00 0.00 O ATOM 745 OE2 GLU A 51 -9.931 -3.172 3.674 1.00 0.00 O ATOM 0 H GLU A 51 -4.755 -0.696 3.368 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.540 -2.579 1.094 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.597 -3.556 2.956 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -6.827 -2.024 3.775 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -8.696 -1.417 2.413 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.226 -2.487 1.107 1.00 0.00 H new ATOM 752 N GLY A 52 -5.226 0.087 0.563 1.00 0.00 N ATOM 753 CA GLY A 52 -5.471 1.412 -0.088 1.00 0.00 C ATOM 754 C GLY A 52 -6.043 2.404 0.932 1.00 0.00 C ATOM 755 O GLY A 52 -5.530 2.495 2.032 1.00 0.00 O ATOM 0 H GLY A 52 -4.297 -0.303 0.401 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.540 1.800 -0.502 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -6.165 1.294 -0.920 1.00 0.00 H new ATOM 759 N GLU A 53 -7.079 3.113 0.551 1.00 0.00 N ATOM 760 CA GLU A 53 -7.691 4.105 1.497 1.00 0.00 C ATOM 761 C GLU A 53 -9.016 4.682 0.959 1.00 0.00 C ATOM 762 O GLU A 53 -9.363 5.807 1.262 1.00 0.00 O ATOM 763 CB GLU A 53 -6.677 5.253 1.730 1.00 0.00 C ATOM 764 CG GLU A 53 -6.903 5.930 3.100 1.00 0.00 C ATOM 765 CD GLU A 53 -6.558 4.927 4.219 1.00 0.00 C ATOM 766 OE1 GLU A 53 -5.376 4.642 4.348 1.00 0.00 O ATOM 767 OE2 GLU A 53 -7.491 4.498 4.878 1.00 0.00 O ATOM 0 H GLU A 53 -7.525 3.050 -0.364 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.920 3.593 2.431 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.661 4.860 1.679 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.773 5.993 0.936 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -6.280 6.820 3.187 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -7.939 6.256 3.193 1.00 0.00 H new ATOM 774 N SER A 54 -9.726 3.908 0.176 1.00 0.00 N ATOM 775 CA SER A 54 -11.034 4.368 -0.406 1.00 0.00 C ATOM 776 C SER A 54 -10.844 5.703 -1.184 1.00 0.00 C ATOM 777 O SER A 54 -9.802 5.802 -1.814 1.00 0.00 O ATOM 778 CB SER A 54 -12.043 4.507 0.780 1.00 0.00 C ATOM 779 OG SER A 54 -13.313 4.641 0.157 1.00 0.00 O ATOM 0 H SER A 54 -9.454 2.962 -0.091 1.00 0.00 H new ATOM 0 HA SER A 54 -11.422 3.651 -1.129 1.00 0.00 H new ATOM 0 HB2 SER A 54 -12.011 3.634 1.432 1.00 0.00 H new ATOM 0 HB3 SER A 54 -11.811 5.374 1.398 1.00 0.00 H new ATOM 0 HG SER A 54 -14.006 4.732 0.844 1.00 0.00 H new TER 785 SER A 54