USER MOD reduce.3.24.130724 H: found=0, std=0, add=123, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 120 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 10 CYS SG : rot 172:sc= -1.21 USER MOD Set 1.2: A 13 CYS SG : rot -51:sc= -0.631 USER MOD Set 1.3: A 18 HIS : no HE2:sc= -3.32! X(o=-7.5!,f=-7.6) USER MOD Set 1.4: A 23 CYS SG : rot -100:sc= -2.36 USER MOD Single : A 9 THR OG1 : rot 22:sc= 0.148 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 165:sc=-0.00511 (180deg=-0.133) USER MOD Single : A 22 ASN :FLIP amide:sc= -0.713 F(o=-1.7,f=-0.71) USER MOD ----------------------------------------------------------------- ATOM 87 N THR A 9 -12.016 -4.844 -1.695 1.00 0.00 N ATOM 88 CA THR A 9 -11.290 -5.605 -2.704 1.00 0.00 C ATOM 89 C THR A 9 -12.044 -6.874 -3.083 1.00 0.00 C ATOM 90 O THR A 9 -12.814 -7.413 -2.287 1.00 0.00 O ATOM 91 CB THR A 9 -9.880 -5.986 -2.215 1.00 0.00 C ATOM 92 OG1 THR A 9 -9.204 -4.825 -1.719 1.00 0.00 O ATOM 93 CG2 THR A 9 -9.068 -6.611 -3.338 1.00 0.00 C ATOM 0 HA THR A 9 -11.201 -4.963 -3.580 1.00 0.00 H new ATOM 0 HB THR A 9 -9.983 -6.717 -1.413 1.00 0.00 H new ATOM 0 HG1 THR A 9 -9.863 -4.144 -1.470 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.076 -6.872 -2.968 1.00 0.00 H new ATOM 0 HG22 THR A 9 -9.571 -7.510 -3.693 1.00 0.00 H new ATOM 0 HG23 THR A 9 -8.974 -5.900 -4.159 1.00 0.00 H new ATOM 101 N CYS A 10 -11.818 -7.349 -4.303 1.00 0.00 N ATOM 102 CA CYS A 10 -12.476 -8.556 -4.789 1.00 0.00 C ATOM 103 C CYS A 10 -12.265 -9.717 -3.821 1.00 0.00 C ATOM 104 O CYS A 10 -11.142 -10.181 -3.626 1.00 0.00 O ATOM 105 CB CYS A 10 -11.945 -8.930 -6.174 1.00 0.00 C ATOM 106 SG CYS A 10 -12.587 -10.510 -6.815 1.00 0.00 S ATOM 0 H CYS A 10 -11.183 -6.916 -4.974 1.00 0.00 H new ATOM 0 HA CYS A 10 -13.545 -8.354 -4.860 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -12.199 -8.135 -6.876 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -10.857 -8.982 -6.132 1.00 0.00 H new ATOM 0 HG CYS A 10 -12.225 -10.654 -8.055 1.00 0.00 H new ATOM 111 N PHE A 11 -13.354 -10.182 -3.218 1.00 0.00 N ATOM 112 CA PHE A 11 -13.290 -11.288 -2.270 1.00 0.00 C ATOM 113 C PHE A 11 -13.105 -12.617 -2.997 1.00 0.00 C ATOM 114 O PHE A 11 -12.920 -13.660 -2.368 1.00 0.00 O ATOM 115 CB PHE A 11 -14.559 -11.332 -1.417 1.00 0.00 C ATOM 116 CG PHE A 11 -14.583 -12.468 -0.435 1.00 0.00 C ATOM 117 CD1 PHE A 11 -13.777 -12.443 0.692 1.00 0.00 C ATOM 118 CD2 PHE A 11 -15.411 -13.560 -0.638 1.00 0.00 C ATOM 119 CE1 PHE A 11 -13.796 -13.487 1.598 1.00 0.00 C ATOM 120 CE2 PHE A 11 -15.435 -14.607 0.265 1.00 0.00 C ATOM 121 CZ PHE A 11 -14.627 -14.570 1.384 1.00 0.00 C ATOM 0 H PHE A 11 -14.292 -9.810 -3.369 1.00 0.00 H new ATOM 0 HA PHE A 11 -12.430 -11.127 -1.620 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -14.655 -10.391 -0.875 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -15.426 -11.411 -2.073 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -13.127 -11.598 0.864 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -16.045 -13.594 -1.512 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -13.162 -13.456 2.472 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -16.085 -15.453 0.095 1.00 0.00 H new ATOM 0 HZ PHE A 11 -14.644 -15.386 2.091 1.00 0.00 H new ATOM 131 N ARG A 12 -13.158 -12.572 -4.324 1.00 0.00 N ATOM 132 CA ARG A 12 -12.999 -13.771 -5.137 1.00 0.00 C ATOM 133 C ARG A 12 -11.528 -14.162 -5.248 1.00 0.00 C ATOM 134 O ARG A 12 -11.104 -15.185 -4.710 1.00 0.00 O ATOM 135 CB ARG A 12 -13.586 -13.549 -6.532 1.00 0.00 C ATOM 136 CG ARG A 12 -14.018 -14.833 -7.222 1.00 0.00 C ATOM 137 CD ARG A 12 -14.832 -14.545 -8.474 1.00 0.00 C ATOM 138 NE ARG A 12 -15.382 -15.764 -9.061 1.00 0.00 N ATOM 139 CZ ARG A 12 -16.429 -16.412 -8.563 1.00 0.00 C ATOM 140 NH1 ARG A 12 -17.037 -15.959 -7.475 1.00 0.00 N ATOM 141 NH2 ARG A 12 -16.871 -17.515 -9.154 1.00 0.00 N ATOM 0 H ARG A 12 -13.310 -11.717 -4.859 1.00 0.00 H new ATOM 0 HA ARG A 12 -13.537 -14.584 -4.649 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -14.444 -12.882 -6.454 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -12.846 -13.044 -7.153 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -13.138 -15.420 -7.486 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -14.609 -15.437 -6.533 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -15.645 -13.862 -8.229 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -14.203 -14.041 -9.208 1.00 0.00 H new ATOM 0 HE ARG A 12 -14.938 -16.138 -9.899 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -16.701 -15.111 -7.019 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -17.841 -16.459 -7.095 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -16.407 -17.866 -9.992 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -17.675 -18.012 -8.771 1.00 0.00 H new ATOM 155 N CYS A 13 -10.755 -13.340 -5.949 1.00 0.00 N ATOM 156 CA CYS A 13 -9.332 -13.598 -6.133 1.00 0.00 C ATOM 157 C CYS A 13 -8.501 -12.801 -5.131 1.00 0.00 C ATOM 158 O CYS A 13 -7.447 -13.252 -4.684 1.00 0.00 O ATOM 159 CB CYS A 13 -8.908 -13.245 -7.560 1.00 0.00 C ATOM 160 SG CYS A 13 -8.985 -11.465 -7.939 1.00 0.00 S ATOM 0 H CYS A 13 -11.090 -12.489 -6.399 1.00 0.00 H new ATOM 0 HA CYS A 13 -9.156 -14.660 -5.962 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -7.889 -13.597 -7.722 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -9.546 -13.783 -8.261 1.00 0.00 H new ATOM 0 HG CYS A 13 -10.154 -11.002 -7.611 1.00 0.00 H new ATOM 165 N GLY A 14 -8.984 -11.612 -4.784 1.00 0.00 N ATOM 166 CA GLY A 14 -8.274 -10.771 -3.838 1.00 0.00 C ATOM 167 C GLY A 14 -7.525 -9.640 -4.516 1.00 0.00 C ATOM 168 O GLY A 14 -6.434 -9.262 -4.087 1.00 0.00 O ATOM 0 H GLY A 14 -9.854 -11.216 -5.141 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -8.983 -10.355 -3.122 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.570 -11.381 -3.272 1.00 0.00 H new ATOM 172 N LYS A 15 -8.110 -9.099 -5.579 1.00 0.00 N ATOM 173 CA LYS A 15 -7.493 -8.005 -6.319 1.00 0.00 C ATOM 174 C LYS A 15 -8.423 -6.798 -6.383 1.00 0.00 C ATOM 175 O LYS A 15 -9.611 -6.914 -6.686 1.00 0.00 O ATOM 176 CB LYS A 15 -7.132 -8.459 -7.735 1.00 0.00 C ATOM 177 CG LYS A 15 -5.967 -9.433 -7.783 1.00 0.00 C ATOM 178 CD LYS A 15 -4.641 -8.709 -7.944 1.00 0.00 C ATOM 179 CE LYS A 15 -4.273 -8.538 -9.410 1.00 0.00 C ATOM 180 NZ LYS A 15 -2.897 -7.994 -9.577 1.00 0.00 N ATOM 0 H LYS A 15 -9.012 -9.401 -5.948 1.00 0.00 H new ATOM 0 HA LYS A 15 -6.583 -7.713 -5.794 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -8.005 -8.927 -8.191 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.888 -7.584 -8.337 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.950 -10.026 -6.869 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.106 -10.128 -8.611 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.699 -7.731 -7.466 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.856 -9.267 -7.434 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.347 -9.500 -9.918 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.988 -7.869 -9.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.684 -7.892 -10.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.833 -7.065 -9.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.211 -8.645 -9.143 1.00 0.00 H new ATOM 194 N PRO A 16 -7.873 -5.609 -6.093 1.00 0.00 N ATOM 195 CA PRO A 16 -8.635 -4.358 -6.113 1.00 0.00 C ATOM 196 C PRO A 16 -9.029 -3.941 -7.526 1.00 0.00 C ATOM 197 O PRO A 16 -8.789 -4.669 -8.488 1.00 0.00 O ATOM 198 CB PRO A 16 -7.665 -3.341 -5.506 1.00 0.00 C ATOM 199 CG PRO A 16 -6.311 -3.901 -5.777 1.00 0.00 C ATOM 200 CD PRO A 16 -6.463 -5.396 -5.724 1.00 0.00 C ATOM 0 HA PRO A 16 -9.576 -4.446 -5.570 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -7.785 -2.358 -5.962 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -7.837 -3.220 -4.436 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.944 -3.580 -6.752 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.590 -3.555 -5.036 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -5.786 -5.894 -6.419 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -6.244 -5.787 -4.730 1.00 0.00 H new ATOM 208 N GLY A 17 -9.634 -2.763 -7.644 1.00 0.00 N ATOM 209 CA GLY A 17 -10.050 -2.269 -8.943 1.00 0.00 C ATOM 210 C GLY A 17 -11.382 -2.844 -9.382 1.00 0.00 C ATOM 211 O GLY A 17 -12.148 -2.187 -10.088 1.00 0.00 O ATOM 0 H GLY A 17 -9.843 -2.142 -6.862 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -10.120 -1.182 -8.909 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -9.289 -2.516 -9.683 1.00 0.00 H new ATOM 215 N HIS A 18 -11.660 -4.076 -8.966 1.00 0.00 N ATOM 216 CA HIS A 18 -12.909 -4.740 -9.322 1.00 0.00 C ATOM 217 C HIS A 18 -13.481 -5.496 -8.127 1.00 0.00 C ATOM 218 O HIS A 18 -12.787 -5.730 -7.137 1.00 0.00 O ATOM 219 CB HIS A 18 -12.685 -5.702 -10.489 1.00 0.00 C ATOM 220 CG HIS A 18 -11.920 -6.934 -10.111 1.00 0.00 C ATOM 221 ND1 HIS A 18 -10.546 -7.020 -10.189 1.00 0.00 N ATOM 222 CD2 HIS A 18 -12.345 -8.133 -9.651 1.00 0.00 C ATOM 223 CE1 HIS A 18 -10.159 -8.219 -9.793 1.00 0.00 C ATOM 224 NE2 HIS A 18 -11.232 -8.914 -9.461 1.00 0.00 N ATOM 0 H HIS A 18 -11.037 -4.634 -8.382 1.00 0.00 H new ATOM 0 HA HIS A 18 -13.625 -3.976 -9.623 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -13.652 -5.996 -10.898 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -12.149 -5.180 -11.282 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -9.925 -6.274 -10.503 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -13.369 -8.422 -9.467 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -9.139 -8.571 -9.748 1.00 0.00 H new ATOM 232 N TYR A 19 -14.751 -5.873 -8.225 1.00 0.00 N ATOM 233 CA TYR A 19 -15.418 -6.600 -7.151 1.00 0.00 C ATOM 234 C TYR A 19 -15.631 -8.062 -7.532 1.00 0.00 C ATOM 235 O TYR A 19 -15.417 -8.453 -8.680 1.00 0.00 O ATOM 236 CB TYR A 19 -16.761 -5.946 -6.822 1.00 0.00 C ATOM 237 CG TYR A 19 -17.413 -5.273 -8.009 1.00 0.00 C ATOM 238 CD1 TYR A 19 -18.206 -5.994 -8.893 1.00 0.00 C ATOM 239 CD2 TYR A 19 -17.238 -3.914 -8.244 1.00 0.00 C ATOM 240 CE1 TYR A 19 -18.802 -5.383 -9.979 1.00 0.00 C ATOM 241 CE2 TYR A 19 -17.832 -3.295 -9.327 1.00 0.00 C ATOM 242 CZ TYR A 19 -18.613 -4.033 -10.191 1.00 0.00 C ATOM 243 OH TYR A 19 -19.207 -3.420 -11.271 1.00 0.00 O ATOM 0 H TYR A 19 -15.339 -5.687 -9.037 1.00 0.00 H new ATOM 0 HA TYR A 19 -14.778 -6.563 -6.270 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -17.438 -6.704 -6.428 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -16.613 -5.209 -6.033 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -18.359 -7.050 -8.728 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -16.628 -3.333 -7.569 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -19.413 -5.959 -10.658 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -17.685 -2.238 -9.496 1.00 0.00 H new ATOM 0 HH TYR A 19 -18.975 -2.468 -11.275 1.00 0.00 H new ATOM 253 N ILE A 20 -16.054 -8.864 -6.561 1.00 0.00 N ATOM 254 CA ILE A 20 -16.299 -10.282 -6.794 1.00 0.00 C ATOM 255 C ILE A 20 -17.379 -10.487 -7.851 1.00 0.00 C ATOM 256 O ILE A 20 -17.548 -11.587 -8.376 1.00 0.00 O ATOM 257 CB ILE A 20 -16.719 -11.001 -5.499 1.00 0.00 C ATOM 258 CG1 ILE A 20 -17.003 -12.478 -5.779 1.00 0.00 C ATOM 259 CG2 ILE A 20 -17.941 -10.327 -4.892 1.00 0.00 C ATOM 260 CD1 ILE A 20 -16.688 -13.386 -4.610 1.00 0.00 C ATOM 0 H ILE A 20 -16.234 -8.556 -5.605 1.00 0.00 H new ATOM 0 HA ILE A 20 -15.362 -10.710 -7.149 1.00 0.00 H new ATOM 0 HB ILE A 20 -15.899 -10.937 -4.783 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -18.054 -12.593 -6.046 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -16.418 -12.795 -6.643 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -18.226 -10.846 -3.977 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -17.706 -9.288 -4.661 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -18.767 -10.363 -5.602 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -16.913 -14.418 -4.880 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -15.631 -13.300 -4.357 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -17.292 -13.095 -3.750 1.00 0.00 H new ATOM 272 N LYS A 21 -18.108 -9.420 -8.159 1.00 0.00 N ATOM 273 CA LYS A 21 -19.171 -9.480 -9.155 1.00 0.00 C ATOM 274 C LYS A 21 -18.624 -9.205 -10.552 1.00 0.00 C ATOM 275 O LYS A 21 -19.181 -9.663 -11.548 1.00 0.00 O ATOM 276 CB LYS A 21 -20.271 -8.471 -8.818 1.00 0.00 C ATOM 277 CG LYS A 21 -20.300 -8.069 -7.354 1.00 0.00 C ATOM 278 CD LYS A 21 -21.703 -7.694 -6.907 1.00 0.00 C ATOM 279 CE LYS A 21 -21.682 -6.910 -5.603 1.00 0.00 C ATOM 280 NZ LYS A 21 -21.180 -5.522 -5.799 1.00 0.00 N ATOM 0 H LYS A 21 -17.982 -8.502 -7.733 1.00 0.00 H new ATOM 0 HA LYS A 21 -19.592 -10.485 -9.141 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -20.133 -7.579 -9.428 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -21.238 -8.896 -9.089 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -19.930 -8.892 -6.742 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -19.628 -7.226 -7.194 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -22.186 -7.100 -7.682 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -22.299 -8.598 -6.780 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -22.687 -6.877 -5.183 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -21.051 -7.426 -4.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -21.414 -4.947 -4.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -20.148 -5.541 -5.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -21.627 -5.107 -6.641 1.00 0.00 H new ATOM 294 N ASN A 22 -17.529 -8.454 -10.616 1.00 0.00 N ATOM 295 CA ASN A 22 -16.906 -8.118 -11.891 1.00 0.00 C ATOM 296 C ASN A 22 -15.541 -8.787 -12.023 1.00 0.00 C ATOM 297 O ASN A 22 -14.734 -8.414 -12.875 1.00 0.00 O ATOM 298 CB ASN A 22 -16.758 -6.602 -12.027 1.00 0.00 C ATOM 299 CG ASN A 22 -16.207 -6.193 -13.380 1.00 0.00 C ATOM 300 OD1 ASN A 22 -14.959 -5.741 -13.398 1.00 0.00 O flip ATOM 301 ND2 ASN A 22 -16.897 -6.283 -14.396 1.00 0.00 N flip ATOM 0 H ASN A 22 -17.055 -8.067 -9.800 1.00 0.00 H new ATOM 0 HA ASN A 22 -17.550 -8.486 -12.689 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -17.729 -6.130 -11.875 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -16.098 -6.232 -11.242 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -17.852 -6.636 -14.334 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -16.514 -6.004 -15.299 1.00 0.00 H new ATOM 308 N CYS A 23 -15.289 -9.778 -11.174 1.00 0.00 N ATOM 309 CA CYS A 23 -14.023 -10.500 -11.194 1.00 0.00 C ATOM 310 C CYS A 23 -13.841 -11.242 -12.515 1.00 0.00 C ATOM 311 O CYS A 23 -14.752 -11.899 -13.018 1.00 0.00 O ATOM 312 CB CYS A 23 -13.957 -11.489 -10.028 1.00 0.00 C ATOM 313 SG CYS A 23 -12.348 -12.324 -9.851 1.00 0.00 S ATOM 0 H CYS A 23 -15.946 -10.099 -10.463 1.00 0.00 H new ATOM 0 HA CYS A 23 -13.217 -9.773 -11.091 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -14.183 -10.959 -9.103 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -14.733 -12.243 -10.161 1.00 0.00 H new ATOM 0 HG CYS A 23 -12.418 -13.515 -10.367 1.00 0.00 H new ATOM 318 N PRO A 24 -12.634 -11.135 -13.092 1.00 0.00 N ATOM 319 CA PRO A 24 -12.303 -11.789 -14.361 1.00 0.00 C ATOM 320 C PRO A 24 -12.213 -13.305 -14.226 1.00 0.00 C ATOM 321 O PRO A 24 -12.736 -14.046 -15.059 1.00 0.00 O ATOM 322 CB PRO A 24 -10.935 -11.201 -14.716 1.00 0.00 C ATOM 323 CG PRO A 24 -10.345 -10.798 -13.409 1.00 0.00 C ATOM 324 CD PRO A 24 -11.500 -10.368 -12.548 1.00 0.00 C ATOM 0 HA PRO A 24 -13.066 -11.617 -15.120 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.309 -11.934 -15.224 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -11.033 -10.347 -15.386 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -9.805 -11.628 -12.952 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.630 -9.985 -13.538 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -11.326 -10.599 -11.497 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -11.673 -9.294 -12.614 1.00 0.00 H new