USER MOD reduce.3.24.130724 H: found=0, std=0, add=250, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 250 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ALA N :NH3+ -119:sc= 0.103 (180deg=0) USER MOD Single : A 5 TYR OH : rot 62:sc= 0.181 USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.315 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 159:sc= -0.0312 (180deg=-0.246) USER MOD Single : A 24 ASN : amide:sc= -0.642 K(o=-0.64,f=-5.5!) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 30:sc= -0.91 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -13.475 5.235 9.202 1.00 0.00 N ATOM 2 CA ALA A 1 -13.352 4.340 8.022 1.00 0.00 C ATOM 3 C ALA A 1 -12.399 3.184 8.309 1.00 0.00 C ATOM 4 O ALA A 1 -11.856 3.073 9.408 1.00 0.00 O ATOM 5 CB ALA A 1 -12.876 5.127 6.811 1.00 0.00 C ATOM 0 H1 ALA A 1 -14.464 5.250 9.525 1.00 0.00 H new ATOM 0 H2 ALA A 1 -12.866 4.885 9.968 1.00 0.00 H new ATOM 0 H3 ALA A 1 -13.182 6.198 8.940 1.00 0.00 H new ATOM 0 HA ALA A 1 -14.336 3.923 7.808 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -12.790 4.459 5.954 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -13.593 5.917 6.586 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -11.903 5.570 7.024 1.00 0.00 H new ATOM 13 N VAL A 2 -12.200 2.326 7.314 1.00 0.00 N ATOM 14 CA VAL A 2 -11.311 1.178 7.460 1.00 0.00 C ATOM 15 C VAL A 2 -10.166 1.240 6.458 1.00 0.00 C ATOM 16 O VAL A 2 -10.170 2.058 5.539 1.00 0.00 O ATOM 17 CB VAL A 2 -12.058 -0.162 7.278 1.00 0.00 C ATOM 18 CG1 VAL A 2 -11.472 -1.228 8.194 1.00 0.00 C ATOM 19 CG2 VAL A 2 -13.551 0.003 7.530 1.00 0.00 C ATOM 0 H VAL A 2 -12.642 2.403 6.398 1.00 0.00 H new ATOM 0 HA VAL A 2 -10.916 1.224 8.475 1.00 0.00 H new ATOM 0 HB VAL A 2 -11.927 -0.484 6.245 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -12.010 -2.165 8.053 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -10.419 -1.375 7.954 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -11.567 -0.908 9.232 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -14.051 -0.956 7.395 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -13.711 0.355 8.549 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -13.961 0.728 6.827 1.00 0.00 H new ATOM 29 N CYS A 3 -9.187 0.366 6.648 1.00 0.00 N ATOM 30 CA CYS A 3 -8.026 0.308 5.768 1.00 0.00 C ATOM 31 C CYS A 3 -8.445 -0.003 4.334 1.00 0.00 C ATOM 32 O CYS A 3 -9.151 -0.979 4.080 1.00 0.00 O ATOM 33 CB CYS A 3 -7.040 -0.751 6.268 1.00 0.00 C ATOM 34 SG CYS A 3 -5.612 -1.033 5.169 1.00 0.00 S ATOM 0 H CYS A 3 -9.173 -0.316 7.407 1.00 0.00 H new ATOM 0 HA CYS A 3 -7.540 1.283 5.779 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -6.673 -0.453 7.250 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -7.573 -1.693 6.399 1.00 0.00 H new ATOM 39 N VAL A 4 -8.001 0.833 3.401 1.00 0.00 N ATOM 40 CA VAL A 4 -8.325 0.647 1.992 1.00 0.00 C ATOM 41 C VAL A 4 -7.083 0.273 1.191 1.00 0.00 C ATOM 42 O VAL A 4 -6.101 1.014 1.167 1.00 0.00 O ATOM 43 CB VAL A 4 -8.953 1.915 1.385 1.00 0.00 C ATOM 44 CG1 VAL A 4 -9.493 1.631 -0.007 1.00 0.00 C ATOM 45 CG2 VAL A 4 -10.049 2.454 2.292 1.00 0.00 C ATOM 0 H VAL A 4 -7.416 1.646 3.596 1.00 0.00 H new ATOM 0 HA VAL A 4 -9.049 -0.166 1.938 1.00 0.00 H new ATOM 0 HB VAL A 4 -8.178 2.676 1.298 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -9.933 2.539 -0.419 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -8.680 1.297 -0.651 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -10.254 0.853 0.050 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -10.481 3.350 1.847 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -10.825 1.698 2.413 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -9.627 2.700 3.266 1.00 0.00 H new ATOM 55 N TYR A 5 -7.133 -0.884 0.541 1.00 0.00 N ATOM 56 CA TYR A 5 -6.013 -1.365 -0.259 1.00 0.00 C ATOM 57 C TYR A 5 -5.654 -0.378 -1.365 1.00 0.00 C ATOM 58 O TYR A 5 -4.479 -0.161 -1.658 1.00 0.00 O ATOM 59 CB TYR A 5 -6.349 -2.723 -0.868 1.00 0.00 C ATOM 60 CG TYR A 5 -5.134 -3.532 -1.261 1.00 0.00 C ATOM 61 CD1 TYR A 5 -4.381 -3.192 -2.378 1.00 0.00 C ATOM 62 CD2 TYR A 5 -4.741 -4.637 -0.516 1.00 0.00 C ATOM 63 CE1 TYR A 5 -3.271 -3.930 -2.742 1.00 0.00 C ATOM 64 CE2 TYR A 5 -3.632 -5.380 -0.874 1.00 0.00 C ATOM 65 CZ TYR A 5 -2.901 -5.023 -1.987 1.00 0.00 C ATOM 66 OH TYR A 5 -1.796 -5.761 -2.346 1.00 0.00 O ATOM 0 H TYR A 5 -7.940 -1.508 0.553 1.00 0.00 H new ATOM 0 HA TYR A 5 -5.151 -1.465 0.400 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -6.940 -3.296 -0.153 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -6.974 -2.572 -1.748 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -4.668 -2.337 -2.972 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -5.311 -4.920 0.357 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -2.696 -3.652 -3.613 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -3.339 -6.236 -0.285 1.00 0.00 H new ATOM 0 HH TYR A 5 -0.998 -5.193 -2.313 1.00 0.00 H new ATOM 76 N ARG A 6 -6.672 0.208 -1.985 1.00 0.00 N ATOM 77 CA ARG A 6 -6.464 1.160 -3.066 1.00 0.00 C ATOM 78 C ARG A 6 -5.880 2.475 -2.555 1.00 0.00 C ATOM 79 O ARG A 6 -5.057 3.100 -3.226 1.00 0.00 O ATOM 80 CB ARG A 6 -7.779 1.422 -3.793 1.00 0.00 C ATOM 81 CG ARG A 6 -7.618 1.627 -5.292 1.00 0.00 C ATOM 82 CD ARG A 6 -8.385 2.846 -5.782 1.00 0.00 C ATOM 83 NE ARG A 6 -9.447 2.485 -6.719 1.00 0.00 N ATOM 84 CZ ARG A 6 -10.629 1.998 -6.346 1.00 0.00 C ATOM 85 NH1 ARG A 6 -10.902 1.811 -5.062 1.00 0.00 N ATOM 86 NH2 ARG A 6 -11.540 1.697 -7.261 1.00 0.00 N ATOM 0 H ARG A 6 -7.651 0.039 -1.756 1.00 0.00 H new ATOM 0 HA ARG A 6 -5.746 0.723 -3.759 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -8.453 0.583 -3.620 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -8.252 2.305 -3.363 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -6.561 1.742 -5.531 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -7.969 0.740 -5.820 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -8.817 3.370 -4.929 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -7.695 3.538 -6.265 1.00 0.00 H new ATOM 0 HE ARG A 6 -9.273 2.613 -7.716 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -10.205 2.041 -4.354 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -11.809 1.438 -4.783 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -11.335 1.838 -8.250 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -12.445 1.324 -6.976 1.00 0.00 H new ATOM 100 N THR A 7 -6.304 2.891 -1.365 1.00 0.00 N ATOM 101 CA THR A 7 -5.815 4.131 -0.778 1.00 0.00 C ATOM 102 C THR A 7 -4.399 3.945 -0.262 1.00 0.00 C ATOM 103 O THR A 7 -3.533 4.797 -0.461 1.00 0.00 O ATOM 104 CB THR A 7 -6.732 4.586 0.358 1.00 0.00 C ATOM 105 OG1 THR A 7 -8.085 4.596 -0.061 1.00 0.00 O ATOM 106 CG2 THR A 7 -6.402 5.970 0.874 1.00 0.00 C ATOM 0 H THR A 7 -6.982 2.389 -0.792 1.00 0.00 H new ATOM 0 HA THR A 7 -5.812 4.900 -1.551 1.00 0.00 H new ATOM 0 HB THR A 7 -6.574 3.867 1.162 1.00 0.00 H new ATOM 0 HG1 THR A 7 -8.655 4.888 0.681 1.00 0.00 H new ATOM 0 HG21 THR A 7 -7.089 6.232 1.678 1.00 0.00 H new ATOM 0 HG22 THR A 7 -5.380 5.983 1.252 1.00 0.00 H new ATOM 0 HG23 THR A 7 -6.499 6.693 0.064 1.00 0.00 H new ATOM 114 N CYS A 8 -4.169 2.813 0.389 1.00 0.00 N ATOM 115 CA CYS A 8 -2.852 2.500 0.925 1.00 0.00 C ATOM 116 C CYS A 8 -1.877 2.216 -0.211 1.00 0.00 C ATOM 117 O CYS A 8 -0.702 2.575 -0.143 1.00 0.00 O ATOM 118 CB CYS A 8 -2.930 1.298 1.868 1.00 0.00 C ATOM 119 SG CYS A 8 -1.493 1.129 2.978 1.00 0.00 S ATOM 0 H CYS A 8 -4.876 2.098 0.558 1.00 0.00 H new ATOM 0 HA CYS A 8 -2.493 3.360 1.490 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -3.834 1.381 2.471 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -3.026 0.389 1.274 1.00 0.00 H new ATOM 124 N ASP A 9 -2.382 1.575 -1.261 1.00 0.00 N ATOM 125 CA ASP A 9 -1.565 1.250 -2.420 1.00 0.00 C ATOM 126 C ASP A 9 -1.139 2.520 -3.147 1.00 0.00 C ATOM 127 O ASP A 9 0.039 2.707 -3.449 1.00 0.00 O ATOM 128 CB ASP A 9 -2.333 0.333 -3.375 1.00 0.00 C ATOM 129 CG ASP A 9 -1.499 -0.087 -4.569 1.00 0.00 C ATOM 130 OD1 ASP A 9 -1.095 0.798 -5.352 1.00 0.00 O ATOM 131 OD2 ASP A 9 -1.250 -1.301 -4.722 1.00 0.00 O ATOM 0 H ASP A 9 -3.353 1.271 -1.331 1.00 0.00 H new ATOM 0 HA ASP A 9 -0.672 0.729 -2.074 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -2.663 -0.555 -2.835 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -3.230 0.845 -3.724 1.00 0.00 H new ATOM 136 N LYS A 10 -2.105 3.393 -3.422 1.00 0.00 N ATOM 137 CA LYS A 10 -1.821 4.646 -4.110 1.00 0.00 C ATOM 138 C LYS A 10 -0.866 5.507 -3.292 1.00 0.00 C ATOM 139 O LYS A 10 0.112 6.038 -3.819 1.00 0.00 O ATOM 140 CB LYS A 10 -3.114 5.409 -4.390 1.00 0.00 C ATOM 141 CG LYS A 10 -3.407 5.586 -5.871 1.00 0.00 C ATOM 142 CD LYS A 10 -4.209 4.418 -6.421 1.00 0.00 C ATOM 143 CE LYS A 10 -4.645 4.667 -7.856 1.00 0.00 C ATOM 144 NZ LYS A 10 -4.870 3.396 -8.597 1.00 0.00 N ATOM 0 H LYS A 10 -3.086 3.255 -3.180 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.343 4.410 -5.061 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -3.946 4.881 -3.924 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.056 6.391 -3.920 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.959 6.513 -6.026 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.470 5.677 -6.421 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.609 3.509 -6.375 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -5.087 4.252 -5.797 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.562 5.256 -7.860 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.885 5.257 -8.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -5.166 3.610 -9.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -3.988 2.845 -8.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -5.613 2.844 -8.123 1.00 0.00 H new ATOM 158 N ASP A 11 -1.145 5.633 -1.999 1.00 0.00 N ATOM 159 CA ASP A 11 -0.299 6.416 -1.114 1.00 0.00 C ATOM 160 C ASP A 11 1.109 5.839 -1.099 1.00 0.00 C ATOM 161 O ASP A 11 2.099 6.571 -1.094 1.00 0.00 O ATOM 162 CB ASP A 11 -0.879 6.412 0.295 1.00 0.00 C ATOM 163 CG ASP A 11 -0.851 7.784 0.940 1.00 0.00 C ATOM 164 OD1 ASP A 11 -1.703 8.625 0.583 1.00 0.00 O ATOM 165 OD2 ASP A 11 0.022 8.017 1.802 1.00 0.00 O ATOM 0 H ASP A 11 -1.950 5.203 -1.544 1.00 0.00 H new ATOM 0 HA ASP A 11 -0.257 7.443 -1.477 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.907 6.052 0.260 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -0.317 5.712 0.913 1.00 0.00 H new ATOM 170 N CYS A 12 1.180 4.515 -1.097 1.00 0.00 N ATOM 171 CA CYS A 12 2.456 3.813 -1.087 1.00 0.00 C ATOM 172 C CYS A 12 3.247 4.094 -2.361 1.00 0.00 C ATOM 173 O CYS A 12 4.397 4.529 -2.302 1.00 0.00 O ATOM 174 CB CYS A 12 2.233 2.307 -0.937 1.00 0.00 C ATOM 175 SG CYS A 12 3.755 1.359 -0.615 1.00 0.00 S ATOM 0 H CYS A 12 0.364 3.903 -1.102 1.00 0.00 H new ATOM 0 HA CYS A 12 3.032 4.177 -0.236 1.00 0.00 H new ATOM 0 HB2 CYS A 12 1.530 2.134 -0.122 1.00 0.00 H new ATOM 0 HB3 CYS A 12 1.766 1.927 -1.846 1.00 0.00 H new ATOM 180 N LYS A 13 2.629 3.843 -3.514 1.00 0.00 N ATOM 181 CA LYS A 13 3.294 4.070 -4.793 1.00 0.00 C ATOM 182 C LYS A 13 3.710 5.530 -4.938 1.00 0.00 C ATOM 183 O LYS A 13 4.730 5.836 -5.555 1.00 0.00 O ATOM 184 CB LYS A 13 2.383 3.665 -5.953 1.00 0.00 C ATOM 185 CG LYS A 13 1.036 4.363 -5.944 1.00 0.00 C ATOM 186 CD LYS A 13 0.099 3.780 -6.990 1.00 0.00 C ATOM 187 CE LYS A 13 0.673 3.914 -8.393 1.00 0.00 C ATOM 188 NZ LYS A 13 -0.237 4.672 -9.295 1.00 0.00 N ATOM 0 H LYS A 13 1.677 3.485 -3.588 1.00 0.00 H new ATOM 0 HA LYS A 13 4.191 3.451 -4.819 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.889 3.883 -6.894 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.224 2.587 -5.919 1.00 0.00 H new ATOM 0 HG2 LYS A 13 0.584 4.270 -4.957 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.175 5.428 -6.132 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -0.084 2.728 -6.770 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -0.864 4.288 -6.940 1.00 0.00 H new ATOM 0 HE2 LYS A 13 1.638 4.418 -8.344 1.00 0.00 H new ATOM 0 HE3 LYS A 13 0.852 2.922 -8.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 0.190 4.741 -10.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -1.150 4.178 -9.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -0.388 5.627 -8.913 1.00 0.00 H new ATOM 202 N ARG A 14 2.917 6.427 -4.362 1.00 0.00 N ATOM 203 CA ARG A 14 3.210 7.854 -4.424 1.00 0.00 C ATOM 204 C ARG A 14 4.359 8.219 -3.485 1.00 0.00 C ATOM 205 O ARG A 14 4.973 9.277 -3.626 1.00 0.00 O ATOM 206 CB ARG A 14 1.964 8.670 -4.071 1.00 0.00 C ATOM 207 CG ARG A 14 1.478 9.558 -5.205 1.00 0.00 C ATOM 208 CD ARG A 14 0.049 10.022 -4.975 1.00 0.00 C ATOM 209 NE ARG A 14 -0.006 11.266 -4.209 1.00 0.00 N ATOM 210 CZ ARG A 14 -1.075 12.058 -4.159 1.00 0.00 C ATOM 211 NH1 ARG A 14 -2.177 11.741 -4.828 1.00 0.00 N ATOM 212 NH2 ARG A 14 -1.041 13.170 -3.438 1.00 0.00 N ATOM 0 H ARG A 14 2.068 6.192 -3.848 1.00 0.00 H new ATOM 0 HA ARG A 14 3.512 8.092 -5.444 1.00 0.00 H new ATOM 0 HB2 ARG A 14 1.163 7.989 -3.785 1.00 0.00 H new ATOM 0 HB3 ARG A 14 2.180 9.291 -3.202 1.00 0.00 H new ATOM 0 HG2 ARG A 14 2.133 10.425 -5.296 1.00 0.00 H new ATOM 0 HG3 ARG A 14 1.538 9.013 -6.147 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -0.445 10.166 -5.936 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -0.504 9.246 -4.446 1.00 0.00 H new ATOM 0 HE ARG A 14 0.822 11.543 -3.682 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -2.208 10.887 -5.384 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -2.993 12.352 -4.786 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -0.197 13.418 -2.922 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -1.859 13.778 -3.399 1.00 0.00 H new ATOM 226 N ARG A 15 4.646 7.339 -2.528 1.00 0.00 N ATOM 227 CA ARG A 15 5.720 7.576 -1.572 1.00 0.00 C ATOM 228 C ARG A 15 7.008 6.884 -2.012 1.00 0.00 C ATOM 229 O ARG A 15 7.889 6.616 -1.195 1.00 0.00 O ATOM 230 CB ARG A 15 5.311 7.082 -0.183 1.00 0.00 C ATOM 231 CG ARG A 15 4.214 7.916 0.459 1.00 0.00 C ATOM 232 CD ARG A 15 4.787 9.110 1.205 1.00 0.00 C ATOM 233 NE ARG A 15 3.793 9.743 2.070 1.00 0.00 N ATOM 234 CZ ARG A 15 3.444 9.272 3.265 1.00 0.00 C ATOM 235 NH1 ARG A 15 4.006 8.167 3.741 1.00 0.00 N ATOM 236 NH2 ARG A 15 2.532 9.908 3.988 1.00 0.00 N ATOM 0 H ARG A 15 4.150 6.458 -2.396 1.00 0.00 H new ATOM 0 HA ARG A 15 5.904 8.650 -1.530 1.00 0.00 H new ATOM 0 HB2 ARG A 15 4.973 6.048 -0.259 1.00 0.00 H new ATOM 0 HB3 ARG A 15 6.186 7.085 0.467 1.00 0.00 H new ATOM 0 HG2 ARG A 15 3.523 8.263 -0.309 1.00 0.00 H new ATOM 0 HG3 ARG A 15 3.640 7.296 1.148 1.00 0.00 H new ATOM 0 HD2 ARG A 15 5.638 8.788 1.805 1.00 0.00 H new ATOM 0 HD3 ARG A 15 5.161 9.840 0.488 1.00 0.00 H new ATOM 0 HE ARG A 15 3.341 10.595 1.739 1.00 0.00 H new ATOM 0 HH11 ARG A 15 4.709 7.674 3.190 1.00 0.00 H new ATOM 0 HH12 ARG A 15 3.735 7.811 4.657 1.00 0.00 H new ATOM 0 HH21 ARG A 15 2.098 10.758 3.628 1.00 0.00 H new ATOM 0 HH22 ARG A 15 2.265 9.547 4.904 1.00 0.00 H new ATOM 250 N GLY A 16 7.113 6.601 -3.307 1.00 0.00 N ATOM 251 CA GLY A 16 8.295 5.950 -3.831 1.00 0.00 C ATOM 252 C GLY A 16 8.326 4.461 -3.543 1.00 0.00 C ATOM 253 O GLY A 16 9.313 3.945 -3.018 1.00 0.00 O ATOM 0 H GLY A 16 6.397 6.812 -4.002 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.343 6.108 -4.909 1.00 0.00 H new ATOM 0 HA3 GLY A 16 9.181 6.417 -3.401 1.00 0.00 H new ATOM 257 N TYR A 17 7.248 3.766 -3.894 1.00 0.00 N ATOM 258 CA TYR A 17 7.163 2.325 -3.674 1.00 0.00 C ATOM 259 C TYR A 17 6.667 1.614 -4.929 1.00 0.00 C ATOM 260 O TYR A 17 6.383 2.251 -5.944 1.00 0.00 O ATOM 261 CB TYR A 17 6.237 2.014 -2.496 1.00 0.00 C ATOM 262 CG TYR A 17 6.793 2.443 -1.157 1.00 0.00 C ATOM 263 CD1 TYR A 17 6.840 3.784 -0.800 1.00 0.00 C ATOM 264 CD2 TYR A 17 7.272 1.506 -0.250 1.00 0.00 C ATOM 265 CE1 TYR A 17 7.347 4.180 0.423 1.00 0.00 C ATOM 266 CE2 TYR A 17 7.780 1.894 0.976 1.00 0.00 C ATOM 267 CZ TYR A 17 7.816 3.232 1.307 1.00 0.00 C ATOM 268 OH TYR A 17 8.321 3.622 2.526 1.00 0.00 O ATOM 0 H TYR A 17 6.423 4.176 -4.331 1.00 0.00 H new ATOM 0 HA TYR A 17 8.163 1.961 -3.440 1.00 0.00 H new ATOM 0 HB2 TYR A 17 5.279 2.509 -2.657 1.00 0.00 H new ATOM 0 HB3 TYR A 17 6.042 0.942 -2.472 1.00 0.00 H new ATOM 0 HD1 TYR A 17 6.474 4.530 -1.490 1.00 0.00 H new ATOM 0 HD2 TYR A 17 7.247 0.457 -0.507 1.00 0.00 H new ATOM 0 HE1 TYR A 17 7.376 5.227 0.685 1.00 0.00 H new ATOM 0 HE2 TYR A 17 8.147 1.153 1.671 1.00 0.00 H new ATOM 0 HH TYR A 17 8.608 2.832 3.029 1.00 0.00 H new ATOM 278 N ARG A 18 6.565 0.290 -4.855 1.00 0.00 N ATOM 279 CA ARG A 18 6.105 -0.505 -5.988 1.00 0.00 C ATOM 280 C ARG A 18 4.745 -1.136 -5.699 1.00 0.00 C ATOM 281 O ARG A 18 3.817 -1.025 -6.500 1.00 0.00 O ATOM 282 CB ARG A 18 7.126 -1.595 -6.323 1.00 0.00 C ATOM 283 CG ARG A 18 8.132 -1.180 -7.384 1.00 0.00 C ATOM 284 CD ARG A 18 7.483 -1.060 -8.754 1.00 0.00 C ATOM 285 NE ARG A 18 7.719 0.249 -9.358 1.00 0.00 N ATOM 286 CZ ARG A 18 6.991 0.746 -10.356 1.00 0.00 C ATOM 287 NH1 ARG A 18 5.984 0.047 -10.865 1.00 0.00 N ATOM 288 NH2 ARG A 18 7.272 1.946 -10.847 1.00 0.00 N ATOM 0 H ARG A 18 6.795 -0.254 -4.023 1.00 0.00 H new ATOM 0 HA ARG A 18 6.000 0.160 -6.845 1.00 0.00 H new ATOM 0 HB2 ARG A 18 7.661 -1.871 -5.415 1.00 0.00 H new ATOM 0 HB3 ARG A 18 6.597 -2.485 -6.664 1.00 0.00 H new ATOM 0 HG2 ARG A 18 8.580 -0.225 -7.108 1.00 0.00 H new ATOM 0 HG3 ARG A 18 8.940 -1.911 -7.426 1.00 0.00 H new ATOM 0 HD2 ARG A 18 7.874 -1.838 -9.410 1.00 0.00 H new ATOM 0 HD3 ARG A 18 6.410 -1.229 -8.663 1.00 0.00 H new ATOM 0 HE ARG A 18 8.486 0.815 -8.994 1.00 0.00 H new ATOM 0 HH11 ARG A 18 5.764 -0.876 -10.492 1.00 0.00 H new ATOM 0 HH12 ARG A 18 5.430 0.433 -11.629 1.00 0.00 H new ATOM 0 HH21 ARG A 18 8.045 2.487 -10.460 1.00 0.00 H new ATOM 0 HH22 ARG A 18 6.715 2.327 -11.612 1.00 0.00 H new ATOM 302 N SER A 19 4.634 -1.799 -4.552 1.00 0.00 N ATOM 303 CA SER A 19 3.386 -2.447 -4.163 1.00 0.00 C ATOM 304 C SER A 19 3.190 -2.397 -2.651 1.00 0.00 C ATOM 305 O SER A 19 3.967 -1.766 -1.935 1.00 0.00 O ATOM 306 CB SER A 19 3.372 -3.900 -4.643 1.00 0.00 C ATOM 307 OG SER A 19 3.571 -3.978 -6.043 1.00 0.00 O ATOM 0 H SER A 19 5.392 -1.902 -3.877 1.00 0.00 H new ATOM 0 HA SER A 19 2.565 -1.906 -4.633 1.00 0.00 H new ATOM 0 HB2 SER A 19 4.152 -4.463 -4.130 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.420 -4.363 -4.382 1.00 0.00 H new ATOM 0 HG SER A 19 3.559 -4.917 -6.323 1.00 0.00 H new ATOM 313 N GLY A 20 2.145 -3.066 -2.174 1.00 0.00 N ATOM 314 CA GLY A 20 1.862 -3.087 -0.750 1.00 0.00 C ATOM 315 C GLY A 20 0.642 -3.922 -0.417 1.00 0.00 C ATOM 316 O GLY A 20 -0.177 -4.211 -1.289 1.00 0.00 O ATOM 0 H GLY A 20 1.488 -3.594 -2.749 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.726 -3.482 -0.216 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.708 -2.067 -0.398 1.00 0.00 H new ATOM 320 N LYS A 21 0.520 -4.311 0.848 1.00 0.00 N ATOM 321 CA LYS A 21 -0.611 -5.119 1.291 1.00 0.00 C ATOM 322 C LYS A 21 -1.107 -4.660 2.658 1.00 0.00 C ATOM 323 O LYS A 21 -0.312 -4.351 3.544 1.00 0.00 O ATOM 324 CB LYS A 21 -0.218 -6.598 1.345 1.00 0.00 C ATOM 325 CG LYS A 21 -0.706 -7.400 0.149 1.00 0.00 C ATOM 326 CD LYS A 21 -1.365 -8.701 0.578 1.00 0.00 C ATOM 327 CE LYS A 21 -1.121 -9.809 -0.434 1.00 0.00 C ATOM 328 NZ LYS A 21 0.301 -10.249 -0.444 1.00 0.00 N ATOM 0 H LYS A 21 1.189 -4.081 1.583 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.420 -4.992 0.572 1.00 0.00 H new ATOM 0 HB2 LYS A 21 0.868 -6.675 1.405 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.620 -7.039 2.257 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.416 -6.804 -0.424 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.134 -7.617 -0.511 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -0.977 -9.003 1.551 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.437 -8.545 0.697 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.762 -10.659 -0.203 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.400 -9.460 -1.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.367 -11.202 -0.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.865 -9.587 -1.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.666 -10.266 0.530 1.00 0.00 H new ATOM 342 N CYS A 22 -2.425 -4.616 2.822 1.00 0.00 N ATOM 343 CA CYS A 22 -3.022 -4.193 4.082 1.00 0.00 C ATOM 344 C CYS A 22 -3.269 -5.388 4.999 1.00 0.00 C ATOM 345 O CYS A 22 -4.147 -6.211 4.740 1.00 0.00 O ATOM 346 CB CYS A 22 -4.336 -3.447 3.827 1.00 0.00 C ATOM 347 SG CYS A 22 -5.263 -3.025 5.340 1.00 0.00 S ATOM 0 H CYS A 22 -3.099 -4.868 2.099 1.00 0.00 H new ATOM 0 HA CYS A 22 -2.322 -3.520 4.576 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -4.119 -2.530 3.280 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -4.970 -4.059 3.185 1.00 0.00 H new ATOM 352 N ILE A 23 -2.494 -5.471 6.076 1.00 0.00 N ATOM 353 CA ILE A 23 -2.636 -6.559 7.035 1.00 0.00 C ATOM 354 C ILE A 23 -3.725 -6.240 8.053 1.00 0.00 C ATOM 355 O ILE A 23 -4.062 -5.074 8.271 1.00 0.00 O ATOM 356 CB ILE A 23 -1.317 -6.848 7.779 1.00 0.00 C ATOM 357 CG1 ILE A 23 -0.145 -6.885 6.795 1.00 0.00 C ATOM 358 CG2 ILE A 23 -1.417 -8.162 8.539 1.00 0.00 C ATOM 359 CD1 ILE A 23 1.208 -6.782 7.464 1.00 0.00 C ATOM 0 H ILE A 23 -1.762 -4.798 6.306 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.912 -7.447 6.466 1.00 0.00 H new ATOM 0 HB ILE A 23 -1.139 -6.046 8.495 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.189 -7.812 6.224 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -0.253 -6.067 6.083 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.479 -8.354 9.060 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -2.229 -8.102 9.264 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.615 -8.973 7.839 1.00 0.00 H new ATOM 0 HD11 ILE A 23 1.992 -6.815 6.707 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.272 -5.842 8.012 1.00 0.00 H new ATOM 0 HD13 ILE A 23 1.336 -7.615 8.155 1.00 0.00 H new ATOM 371 N ASN A 24 -4.276 -7.287 8.666 1.00 0.00 N ATOM 372 CA ASN A 24 -5.345 -7.146 9.658 1.00 0.00 C ATOM 373 C ASN A 24 -5.140 -5.952 10.583 1.00 0.00 C ATOM 374 O ASN A 24 -6.103 -5.389 11.105 1.00 0.00 O ATOM 375 CB ASN A 24 -5.472 -8.428 10.483 1.00 0.00 C ATOM 376 CG ASN A 24 -4.149 -8.864 11.082 1.00 0.00 C ATOM 377 OD1 ASN A 24 -3.500 -8.105 11.801 1.00 0.00 O ATOM 378 ND2 ASN A 24 -3.743 -10.093 10.786 1.00 0.00 N ATOM 0 H ASN A 24 -3.997 -8.252 8.491 1.00 0.00 H new ATOM 0 HA ASN A 24 -6.267 -6.968 9.104 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -6.196 -8.272 11.283 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -5.862 -9.226 9.851 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -2.860 -10.442 11.159 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -4.314 -10.688 10.185 1.00 0.00 H new ATOM 385 N ASN A 25 -3.893 -5.574 10.786 1.00 0.00 N ATOM 386 CA ASN A 25 -3.577 -4.446 11.655 1.00 0.00 C ATOM 387 C ASN A 25 -2.257 -3.786 11.268 1.00 0.00 C ATOM 388 O ASN A 25 -1.523 -3.304 12.132 1.00 0.00 O ATOM 389 CB ASN A 25 -3.523 -4.906 13.114 1.00 0.00 C ATOM 390 CG ASN A 25 -4.376 -4.045 14.025 1.00 0.00 C ATOM 391 OD1 ASN A 25 -3.883 -3.112 14.658 1.00 0.00 O ATOM 392 ND2 ASN A 25 -5.665 -4.356 14.095 1.00 0.00 N ATOM 0 H ASN A 25 -3.081 -6.026 10.365 1.00 0.00 H new ATOM 0 HA ASN A 25 -4.367 -3.705 11.535 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -3.859 -5.941 13.178 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -2.490 -4.884 13.461 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -6.289 -3.813 14.691 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -6.031 -5.138 13.552 1.00 0.00 H new ATOM 399 N ALA A 26 -1.951 -3.761 9.972 1.00 0.00 N ATOM 400 CA ALA A 26 -0.709 -3.149 9.507 1.00 0.00 C ATOM 401 C ALA A 26 -0.591 -3.187 7.987 1.00 0.00 C ATOM 402 O ALA A 26 -0.568 -4.258 7.386 1.00 0.00 O ATOM 403 CB ALA A 26 0.481 -3.848 10.141 1.00 0.00 C ATOM 0 H ALA A 26 -2.537 -4.152 9.235 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.721 -2.102 9.809 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.404 -3.386 9.790 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.420 -3.758 11.226 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.474 -4.902 9.863 1.00 0.00 H new ATOM 409 N CYS A 27 -0.502 -2.013 7.371 1.00 0.00 N ATOM 410 CA CYS A 27 -0.373 -1.923 5.922 1.00 0.00 C ATOM 411 C CYS A 27 1.095 -1.970 5.510 1.00 0.00 C ATOM 412 O CYS A 27 1.841 -1.014 5.722 1.00 0.00 O ATOM 413 CB CYS A 27 -1.024 -0.639 5.405 1.00 0.00 C ATOM 414 SG CYS A 27 -1.656 -0.762 3.700 1.00 0.00 S ATOM 0 H CYS A 27 -0.517 -1.113 7.851 1.00 0.00 H new ATOM 0 HA CYS A 27 -0.886 -2.777 5.480 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -1.846 -0.369 6.068 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -0.296 0.170 5.454 1.00 0.00 H new ATOM 419 N LYS A 28 1.502 -3.091 4.924 1.00 0.00 N ATOM 420 CA LYS A 28 2.882 -3.268 4.486 1.00 0.00 C ATOM 421 C LYS A 28 3.093 -2.692 3.090 1.00 0.00 C ATOM 422 O LYS A 28 2.139 -2.489 2.339 1.00 0.00 O ATOM 423 CB LYS A 28 3.256 -4.753 4.501 1.00 0.00 C ATOM 424 CG LYS A 28 4.125 -5.150 5.684 1.00 0.00 C ATOM 425 CD LYS A 28 5.591 -4.839 5.427 1.00 0.00 C ATOM 426 CE LYS A 28 6.447 -5.152 6.643 1.00 0.00 C ATOM 427 NZ LYS A 28 7.598 -4.215 6.770 1.00 0.00 N ATOM 0 H LYS A 28 0.896 -3.891 4.741 1.00 0.00 H new ATOM 0 HA LYS A 28 3.527 -2.729 5.179 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.343 -5.349 4.515 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.781 -4.996 3.577 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.791 -4.621 6.576 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.007 -6.215 5.882 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.943 -5.419 4.574 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.700 -3.787 5.165 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.834 -5.097 7.542 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.818 -6.175 6.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.156 -4.463 7.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.198 -4.285 5.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.244 -3.241 6.864 1.00 0.00 H new ATOM 441 N CYS A 29 4.351 -2.433 2.751 1.00 0.00 N ATOM 442 CA CYS A 29 4.694 -1.883 1.446 1.00 0.00 C ATOM 443 C CYS A 29 5.912 -2.591 0.862 1.00 0.00 C ATOM 444 O CYS A 29 6.659 -3.254 1.582 1.00 0.00 O ATOM 445 CB CYS A 29 4.959 -0.388 1.558 1.00 0.00 C ATOM 446 SG CYS A 29 3.491 0.652 1.269 1.00 0.00 S ATOM 0 H CYS A 29 5.151 -2.596 3.363 1.00 0.00 H new ATOM 0 HA CYS A 29 3.850 -2.044 0.775 1.00 0.00 H new ATOM 0 HB2 CYS A 29 5.353 -0.173 2.551 1.00 0.00 H new ATOM 0 HB3 CYS A 29 5.733 -0.112 0.842 1.00 0.00 H new ATOM 451 N TYR A 30 6.106 -2.453 -0.445 1.00 0.00 N ATOM 452 CA TYR A 30 7.232 -3.087 -1.119 1.00 0.00 C ATOM 453 C TYR A 30 7.823 -2.165 -2.184 1.00 0.00 C ATOM 454 O TYR A 30 7.280 -2.051 -3.282 1.00 0.00 O ATOM 455 CB TYR A 30 6.791 -4.404 -1.763 1.00 0.00 C ATOM 456 CG TYR A 30 5.787 -5.177 -0.938 1.00 0.00 C ATOM 457 CD1 TYR A 30 6.179 -5.867 0.202 1.00 0.00 C ATOM 458 CD2 TYR A 30 4.446 -5.213 -1.298 1.00 0.00 C ATOM 459 CE1 TYR A 30 5.263 -6.573 0.959 1.00 0.00 C ATOM 460 CE2 TYR A 30 3.524 -5.915 -0.546 1.00 0.00 C ATOM 461 CZ TYR A 30 3.937 -6.593 0.581 1.00 0.00 C ATOM 462 OH TYR A 30 3.022 -7.293 1.332 1.00 0.00 O ATOM 0 H TYR A 30 5.499 -1.909 -1.058 1.00 0.00 H new ATOM 0 HA TYR A 30 8.000 -3.290 -0.372 1.00 0.00 H new ATOM 0 HB2 TYR A 30 6.359 -4.193 -2.741 1.00 0.00 H new ATOM 0 HB3 TYR A 30 7.669 -5.028 -1.930 1.00 0.00 H new ATOM 0 HD1 TYR A 30 7.216 -5.852 0.502 1.00 0.00 H new ATOM 0 HD2 TYR A 30 4.119 -4.683 -2.180 1.00 0.00 H new ATOM 0 HE1 TYR A 30 5.584 -7.106 1.842 1.00 0.00 H new ATOM 0 HE2 TYR A 30 2.485 -5.933 -0.840 1.00 0.00 H new ATOM 0 HH TYR A 30 3.308 -7.304 2.269 1.00 0.00 H new ATOM 472 N PRO A 31 8.947 -1.492 -1.877 1.00 0.00 N ATOM 473 CA PRO A 31 9.597 -0.582 -2.824 1.00 0.00 C ATOM 474 C PRO A 31 10.166 -1.315 -4.035 1.00 0.00 C ATOM 475 O PRO A 31 9.789 -1.031 -5.170 1.00 0.00 O ATOM 476 CB PRO A 31 10.723 0.058 -2.005 1.00 0.00 C ATOM 477 CG PRO A 31 10.976 -0.887 -0.880 1.00 0.00 C ATOM 478 CD PRO A 31 9.665 -1.563 -0.591 1.00 0.00 C ATOM 0 HA PRO A 31 8.893 0.142 -3.234 1.00 0.00 H new ATOM 0 HB2 PRO A 31 11.619 0.198 -2.610 1.00 0.00 H new ATOM 0 HB3 PRO A 31 10.431 1.041 -1.635 1.00 0.00 H new ATOM 0 HG2 PRO A 31 11.738 -1.618 -1.150 1.00 0.00 H new ATOM 0 HG3 PRO A 31 11.341 -0.356 -0.001 1.00 0.00 H new ATOM 0 HD2 PRO A 31 9.808 -2.594 -0.268 1.00 0.00 H new ATOM 0 HD3 PRO A 31 9.118 -1.054 0.202 1.00 0.00 H new ATOM 486 N TYR A 32 11.066 -2.266 -3.774 1.00 0.00 N ATOM 487 CA TYR A 32 11.705 -3.072 -4.815 1.00 0.00 C ATOM 488 C TYR A 32 11.967 -2.274 -6.100 1.00 0.00 C ATOM 489 O TYR A 32 11.005 -1.997 -6.845 1.00 0.00 O ATOM 490 CB TYR A 32 10.865 -4.334 -5.074 1.00 0.00 C ATOM 491 CG TYR A 32 10.158 -4.388 -6.413 1.00 0.00 C ATOM 492 CD1 TYR A 32 10.866 -4.617 -7.586 1.00 0.00 C ATOM 493 CD2 TYR A 32 8.782 -4.215 -6.501 1.00 0.00 C ATOM 494 CE1 TYR A 32 10.224 -4.670 -8.809 1.00 0.00 C ATOM 495 CE2 TYR A 32 8.133 -4.267 -7.719 1.00 0.00 C ATOM 496 CZ TYR A 32 8.858 -4.494 -8.870 1.00 0.00 C ATOM 497 OH TYR A 32 8.215 -4.547 -10.085 1.00 0.00 O ATOM 498 OXT TYR A 32 13.143 -1.932 -6.347 1.00 0.00 O ATOM 0 H TYR A 32 11.373 -2.499 -2.830 1.00 0.00 H new ATOM 0 HA TYR A 32 12.689 -3.375 -4.458 1.00 0.00 H new ATOM 0 HB2 TYR A 32 11.516 -5.205 -4.992 1.00 0.00 H new ATOM 0 HB3 TYR A 32 10.118 -4.419 -4.285 1.00 0.00 H new ATOM 0 HD1 TYR A 32 11.936 -4.756 -7.542 1.00 0.00 H new ATOM 0 HD2 TYR A 32 8.211 -4.037 -5.602 1.00 0.00 H new ATOM 0 HE1 TYR A 32 10.789 -4.848 -9.712 1.00 0.00 H new ATOM 0 HE2 TYR A 32 7.063 -4.131 -7.770 1.00 0.00 H new ATOM 0 HH TYR A 32 7.254 -4.404 -9.953 1.00 0.00 H new TER 508 TYR A 32