USER MOD reduce.3.24.130724 H: found=0, std=0, add=123, rem=0, adj=6 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 173:sc= -2.21 USER MOD Set 1.2: A 13 CYS SG : rot -50:sc= -0.0407 USER MOD Set 1.3: A 18 HIS : no HE2:sc= -3.69! X(o=-7.5!,f=-7.5) USER MOD Set 1.4: A 23 CYS SG : rot -90:sc= -1.56 USER MOD Single : A 9 THR OG1 : rot 33:sc= 0.235 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -1.64! C(o=-1.6!,f=-1.3!) USER MOD ----------------------------------------------------------------- ATOM 87 N THR A 9 -12.080 -4.843 -1.754 1.00 0.00 N ATOM 88 CA THR A 9 -11.352 -5.600 -2.764 1.00 0.00 C ATOM 89 C THR A 9 -12.101 -6.871 -3.145 1.00 0.00 C ATOM 90 O THR A 9 -12.884 -7.403 -2.357 1.00 0.00 O ATOM 91 CB THR A 9 -9.940 -5.976 -2.276 1.00 0.00 C ATOM 92 OG1 THR A 9 -9.301 -4.832 -1.698 1.00 0.00 O ATOM 93 CG2 THR A 9 -9.095 -6.511 -3.422 1.00 0.00 C ATOM 0 HA THR A 9 -11.266 -4.956 -3.639 1.00 0.00 H new ATOM 0 HB THR A 9 -10.036 -6.757 -1.522 1.00 0.00 H new ATOM 0 HG1 THR A 9 -9.974 -4.263 -1.269 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.103 -6.770 -3.053 1.00 0.00 H new ATOM 0 HG22 THR A 9 -9.569 -7.399 -3.840 1.00 0.00 H new ATOM 0 HG23 THR A 9 -9.007 -5.748 -4.196 1.00 0.00 H new ATOM 101 N CYS A 10 -11.856 -7.356 -4.358 1.00 0.00 N ATOM 102 CA CYS A 10 -12.507 -8.566 -4.845 1.00 0.00 C ATOM 103 C CYS A 10 -12.308 -9.721 -3.867 1.00 0.00 C ATOM 104 O CYS A 10 -11.192 -10.206 -3.681 1.00 0.00 O ATOM 105 CB CYS A 10 -11.958 -8.948 -6.221 1.00 0.00 C ATOM 106 SG CYS A 10 -12.649 -10.493 -6.894 1.00 0.00 S ATOM 0 H CYS A 10 -11.210 -6.929 -5.022 1.00 0.00 H new ATOM 0 HA CYS A 10 -13.575 -8.365 -4.931 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -12.162 -8.137 -6.920 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -10.875 -9.046 -6.154 1.00 0.00 H new ATOM 0 HG CYS A 10 -12.239 -10.655 -8.117 1.00 0.00 H new ATOM 111 N PHE A 11 -13.399 -10.157 -3.245 1.00 0.00 N ATOM 112 CA PHE A 11 -13.345 -11.255 -2.287 1.00 0.00 C ATOM 113 C PHE A 11 -13.155 -12.591 -2.999 1.00 0.00 C ATOM 114 O PHE A 11 -13.022 -13.634 -2.360 1.00 0.00 O ATOM 115 CB PHE A 11 -14.623 -11.289 -1.446 1.00 0.00 C ATOM 116 CG PHE A 11 -14.634 -12.383 -0.417 1.00 0.00 C ATOM 117 CD1 PHE A 11 -13.793 -12.326 0.683 1.00 0.00 C ATOM 118 CD2 PHE A 11 -15.486 -13.467 -0.549 1.00 0.00 C ATOM 119 CE1 PHE A 11 -13.801 -13.332 1.631 1.00 0.00 C ATOM 120 CE2 PHE A 11 -15.499 -14.476 0.397 1.00 0.00 C ATOM 121 CZ PHE A 11 -14.656 -14.407 1.488 1.00 0.00 C ATOM 0 H PHE A 11 -14.331 -9.767 -3.387 1.00 0.00 H new ATOM 0 HA PHE A 11 -12.490 -11.089 -1.631 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -14.744 -10.329 -0.945 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -15.480 -11.414 -2.107 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -13.124 -11.486 0.801 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -16.148 -13.525 -1.400 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -13.139 -13.277 2.483 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -16.168 -15.316 0.282 1.00 0.00 H new ATOM 0 HZ PHE A 11 -14.665 -15.193 2.229 1.00 0.00 H new ATOM 131 N ARG A 12 -13.144 -12.550 -4.328 1.00 0.00 N ATOM 132 CA ARG A 12 -12.973 -13.756 -5.128 1.00 0.00 C ATOM 133 C ARG A 12 -11.498 -14.135 -5.232 1.00 0.00 C ATOM 134 O ARG A 12 -11.067 -15.151 -4.686 1.00 0.00 O ATOM 135 CB ARG A 12 -13.558 -13.554 -6.527 1.00 0.00 C ATOM 136 CG ARG A 12 -13.964 -14.849 -7.210 1.00 0.00 C ATOM 137 CD ARG A 12 -14.775 -14.584 -8.469 1.00 0.00 C ATOM 138 NE ARG A 12 -15.651 -15.704 -8.802 1.00 0.00 N ATOM 139 CZ ARG A 12 -15.229 -16.817 -9.391 1.00 0.00 C ATOM 140 NH1 ARG A 12 -13.950 -16.958 -9.710 1.00 0.00 N ATOM 141 NH2 ARG A 12 -16.087 -17.792 -9.662 1.00 0.00 N ATOM 0 H ARG A 12 -13.252 -11.694 -4.873 1.00 0.00 H new ATOM 0 HA ARG A 12 -13.506 -14.568 -4.633 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -14.428 -12.902 -6.457 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -12.824 -13.040 -7.148 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -13.073 -15.423 -7.464 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -14.549 -15.458 -6.520 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -15.374 -13.684 -8.331 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -14.099 -14.393 -9.302 1.00 0.00 H new ATOM 0 HE ARG A 12 -16.641 -15.627 -8.569 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -13.287 -16.211 -9.503 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -13.629 -17.814 -10.162 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -17.072 -17.687 -9.418 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -15.762 -18.646 -10.114 1.00 0.00 H new ATOM 155 N CYS A 13 -10.730 -13.311 -5.937 1.00 0.00 N ATOM 156 CA CYS A 13 -9.304 -13.559 -6.114 1.00 0.00 C ATOM 157 C CYS A 13 -8.482 -12.736 -5.126 1.00 0.00 C ATOM 158 O CYS A 13 -7.378 -13.123 -4.747 1.00 0.00 O ATOM 159 CB CYS A 13 -8.882 -13.227 -7.547 1.00 0.00 C ATOM 160 SG CYS A 13 -9.036 -11.464 -7.978 1.00 0.00 S ATOM 0 H CYS A 13 -11.071 -12.466 -6.395 1.00 0.00 H new ATOM 0 HA CYS A 13 -9.117 -14.616 -5.923 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -7.847 -13.536 -7.690 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -9.488 -13.813 -8.238 1.00 0.00 H new ATOM 0 HG CYS A 13 -10.221 -11.040 -7.653 1.00 0.00 H new ATOM 165 N GLY A 14 -9.030 -11.596 -4.714 1.00 0.00 N ATOM 166 CA GLY A 14 -8.334 -10.737 -3.774 1.00 0.00 C ATOM 167 C GLY A 14 -7.541 -9.645 -4.465 1.00 0.00 C ATOM 168 O GLY A 14 -6.420 -9.332 -4.064 1.00 0.00 O ATOM 0 H GLY A 14 -9.942 -11.253 -5.014 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -9.057 -10.283 -3.097 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.661 -11.340 -3.164 1.00 0.00 H new ATOM 172 N LYS A 15 -8.123 -9.063 -5.508 1.00 0.00 N ATOM 173 CA LYS A 15 -7.465 -8.000 -6.258 1.00 0.00 C ATOM 174 C LYS A 15 -8.357 -6.766 -6.349 1.00 0.00 C ATOM 175 O LYS A 15 -9.544 -6.850 -6.663 1.00 0.00 O ATOM 176 CB LYS A 15 -7.104 -8.487 -7.663 1.00 0.00 C ATOM 177 CG LYS A 15 -6.102 -9.628 -7.672 1.00 0.00 C ATOM 178 CD LYS A 15 -4.678 -9.120 -7.819 1.00 0.00 C ATOM 179 CE LYS A 15 -4.248 -9.077 -9.277 1.00 0.00 C ATOM 180 NZ LYS A 15 -3.603 -10.350 -9.702 1.00 0.00 N ATOM 0 H LYS A 15 -9.050 -9.310 -5.853 1.00 0.00 H new ATOM 0 HA LYS A 15 -6.552 -7.728 -5.729 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -8.013 -8.809 -8.172 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.697 -7.653 -8.234 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.192 -10.199 -6.748 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.332 -10.309 -8.491 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.600 -8.123 -7.386 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.001 -9.764 -7.258 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -5.116 -8.882 -9.906 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -3.554 -8.250 -9.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -3.324 -10.281 -10.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.760 -10.524 -9.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -4.274 -11.136 -9.583 1.00 0.00 H new ATOM 194 N PRO A 16 -7.773 -5.591 -6.070 1.00 0.00 N ATOM 195 CA PRO A 16 -8.496 -4.317 -6.117 1.00 0.00 C ATOM 196 C PRO A 16 -8.862 -3.909 -7.540 1.00 0.00 C ATOM 197 O PRO A 16 -8.488 -4.577 -8.503 1.00 0.00 O ATOM 198 CB PRO A 16 -7.502 -3.321 -5.514 1.00 0.00 C ATOM 199 CG PRO A 16 -6.163 -3.926 -5.763 1.00 0.00 C ATOM 200 CD PRO A 16 -6.361 -5.415 -5.689 1.00 0.00 C ATOM 0 HA PRO A 16 -9.445 -4.368 -5.584 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -7.588 -2.342 -5.985 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -7.681 -3.179 -4.448 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.777 -3.632 -6.739 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.439 -3.591 -5.020 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -5.693 -5.943 -6.369 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -6.164 -5.797 -4.687 1.00 0.00 H new ATOM 208 N GLY A 17 -9.595 -2.807 -7.665 1.00 0.00 N ATOM 209 CA GLY A 17 -9.998 -2.329 -8.975 1.00 0.00 C ATOM 210 C GLY A 17 -11.322 -2.915 -9.424 1.00 0.00 C ATOM 211 O GLY A 17 -12.065 -2.285 -10.177 1.00 0.00 O ATOM 0 H GLY A 17 -9.917 -2.237 -6.883 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -10.074 -1.242 -8.954 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -9.227 -2.581 -9.703 1.00 0.00 H new ATOM 215 N HIS A 18 -11.618 -4.126 -8.962 1.00 0.00 N ATOM 216 CA HIS A 18 -12.862 -4.799 -9.322 1.00 0.00 C ATOM 217 C HIS A 18 -13.426 -5.570 -8.132 1.00 0.00 C ATOM 218 O HIS A 18 -12.710 -5.864 -7.175 1.00 0.00 O ATOM 219 CB HIS A 18 -12.631 -5.748 -10.498 1.00 0.00 C ATOM 220 CG HIS A 18 -11.864 -6.981 -10.130 1.00 0.00 C ATOM 221 ND1 HIS A 18 -10.490 -7.063 -10.207 1.00 0.00 N ATOM 222 CD2 HIS A 18 -12.287 -8.186 -9.680 1.00 0.00 C ATOM 223 CE1 HIS A 18 -10.100 -8.265 -9.821 1.00 0.00 C ATOM 224 NE2 HIS A 18 -11.172 -8.966 -9.496 1.00 0.00 N ATOM 0 H HIS A 18 -11.014 -4.661 -8.338 1.00 0.00 H new ATOM 0 HA HIS A 18 -13.586 -4.039 -9.616 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -13.595 -6.040 -10.913 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -12.094 -5.216 -11.283 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -9.871 -6.313 -10.514 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -13.311 -8.479 -9.499 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -9.079 -8.615 -9.778 1.00 0.00 H new ATOM 232 N TYR A 19 -14.712 -5.893 -8.200 1.00 0.00 N ATOM 233 CA TYR A 19 -15.373 -6.628 -7.127 1.00 0.00 C ATOM 234 C TYR A 19 -15.579 -8.089 -7.514 1.00 0.00 C ATOM 235 O TYR A 19 -15.329 -8.482 -8.654 1.00 0.00 O ATOM 236 CB TYR A 19 -16.719 -5.983 -6.794 1.00 0.00 C ATOM 237 CG TYR A 19 -17.385 -5.322 -7.980 1.00 0.00 C ATOM 238 CD1 TYR A 19 -18.211 -6.047 -8.830 1.00 0.00 C ATOM 239 CD2 TYR A 19 -17.189 -3.973 -8.249 1.00 0.00 C ATOM 240 CE1 TYR A 19 -18.821 -5.448 -9.915 1.00 0.00 C ATOM 241 CE2 TYR A 19 -17.796 -3.366 -9.331 1.00 0.00 C ATOM 242 CZ TYR A 19 -18.610 -4.107 -10.162 1.00 0.00 C ATOM 243 OH TYR A 19 -19.217 -3.506 -11.241 1.00 0.00 O ATOM 0 H TYR A 19 -15.318 -5.658 -8.986 1.00 0.00 H new ATOM 0 HA TYR A 19 -14.731 -6.591 -6.247 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -17.387 -6.744 -6.391 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -16.572 -5.240 -6.010 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -18.379 -7.097 -8.639 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -16.551 -3.389 -7.601 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -19.460 -6.026 -10.566 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -17.634 -2.316 -9.525 1.00 0.00 H new ATOM 0 HH TYR A 19 -18.966 -2.559 -11.272 1.00 0.00 H new ATOM 253 N ILE A 20 -16.035 -8.889 -6.556 1.00 0.00 N ATOM 254 CA ILE A 20 -16.277 -10.306 -6.796 1.00 0.00 C ATOM 255 C ILE A 20 -17.372 -10.509 -7.836 1.00 0.00 C ATOM 256 O ILE A 20 -17.522 -11.598 -8.393 1.00 0.00 O ATOM 257 CB ILE A 20 -16.674 -11.037 -5.499 1.00 0.00 C ATOM 258 CG1 ILE A 20 -17.016 -12.498 -5.796 1.00 0.00 C ATOM 259 CG2 ILE A 20 -17.849 -10.336 -4.835 1.00 0.00 C ATOM 260 CD1 ILE A 20 -16.795 -13.422 -4.619 1.00 0.00 C ATOM 0 H ILE A 20 -16.244 -8.580 -5.607 1.00 0.00 H new ATOM 0 HA ILE A 20 -15.343 -10.726 -7.169 1.00 0.00 H new ATOM 0 HB ILE A 20 -15.828 -11.014 -4.812 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -18.059 -12.563 -6.107 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -16.411 -12.841 -6.635 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -18.118 -10.864 -3.920 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -17.571 -9.310 -4.594 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -18.701 -10.331 -5.515 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -17.058 -14.441 -4.902 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -15.747 -13.387 -4.321 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -17.420 -13.104 -3.785 1.00 0.00 H new ATOM 272 N LYS A 21 -18.137 -9.454 -8.097 1.00 0.00 N ATOM 273 CA LYS A 21 -19.218 -9.514 -9.073 1.00 0.00 C ATOM 274 C LYS A 21 -18.695 -9.244 -10.481 1.00 0.00 C ATOM 275 O LYS A 21 -19.264 -9.715 -11.464 1.00 0.00 O ATOM 276 CB LYS A 21 -20.308 -8.499 -8.720 1.00 0.00 C ATOM 277 CG LYS A 21 -20.321 -8.107 -7.253 1.00 0.00 C ATOM 278 CD LYS A 21 -21.693 -7.619 -6.818 1.00 0.00 C ATOM 279 CE LYS A 21 -21.591 -6.571 -5.721 1.00 0.00 C ATOM 280 NZ LYS A 21 -21.414 -7.189 -4.378 1.00 0.00 N ATOM 0 H LYS A 21 -18.028 -8.546 -7.645 1.00 0.00 H new ATOM 0 HA LYS A 21 -19.642 -10.518 -9.047 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -20.169 -7.603 -9.326 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -21.280 -8.915 -8.985 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -20.028 -8.963 -6.644 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -19.583 -7.324 -7.078 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -22.220 -7.199 -7.675 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -22.284 -8.463 -6.462 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -20.751 -5.908 -5.929 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -22.491 -5.956 -5.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -21.349 -6.442 -3.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -22.227 -7.802 -4.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -20.542 -7.756 -4.369 1.00 0.00 H new ATOM 294 N ASN A 22 -17.607 -8.486 -10.568 1.00 0.00 N ATOM 295 CA ASN A 22 -17.008 -8.155 -11.856 1.00 0.00 C ATOM 296 C ASN A 22 -15.630 -8.796 -11.994 1.00 0.00 C ATOM 297 O ASN A 22 -14.827 -8.391 -12.835 1.00 0.00 O ATOM 298 CB ASN A 22 -16.895 -6.637 -12.015 1.00 0.00 C ATOM 299 CG ASN A 22 -16.111 -6.242 -13.251 1.00 0.00 C ATOM 300 OD1 ASN A 22 -16.438 -6.652 -14.365 1.00 0.00 O ATOM 301 ND2 ASN A 22 -15.069 -5.442 -13.060 1.00 0.00 N ATOM 0 H ASN A 22 -17.122 -8.090 -9.763 1.00 0.00 H new ATOM 0 HA ASN A 22 -17.654 -8.548 -12.641 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -17.894 -6.205 -12.068 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -16.413 -6.217 -11.132 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -14.503 -5.143 -13.854 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -14.834 -5.126 -12.119 1.00 0.00 H new ATOM 308 N CYS A 23 -15.363 -9.798 -11.164 1.00 0.00 N ATOM 309 CA CYS A 23 -14.083 -10.496 -11.193 1.00 0.00 C ATOM 310 C CYS A 23 -13.902 -11.245 -12.510 1.00 0.00 C ATOM 311 O CYS A 23 -14.809 -11.919 -13.000 1.00 0.00 O ATOM 312 CB CYS A 23 -13.985 -11.473 -10.020 1.00 0.00 C ATOM 313 SG CYS A 23 -12.388 -12.343 -9.909 1.00 0.00 S ATOM 0 H CYS A 23 -16.016 -10.145 -10.462 1.00 0.00 H new ATOM 0 HA CYS A 23 -13.290 -9.753 -11.106 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -14.155 -10.928 -9.092 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -14.783 -12.210 -10.107 1.00 0.00 H new ATOM 0 HG CYS A 23 -12.448 -13.448 -10.591 1.00 0.00 H new ATOM 318 N PRO A 24 -12.702 -11.127 -13.098 1.00 0.00 N ATOM 319 CA PRO A 24 -12.373 -11.787 -14.365 1.00 0.00 C ATOM 320 C PRO A 24 -12.261 -13.301 -14.218 1.00 0.00 C ATOM 321 O PRO A 24 -12.835 -14.055 -15.004 1.00 0.00 O ATOM 322 CB PRO A 24 -11.016 -11.184 -14.736 1.00 0.00 C ATOM 323 CG PRO A 24 -10.420 -10.762 -13.437 1.00 0.00 C ATOM 324 CD PRO A 24 -11.574 -10.341 -12.570 1.00 0.00 C ATOM 0 HA PRO A 24 -13.145 -11.631 -15.119 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.384 -11.913 -15.243 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -11.131 -10.337 -15.412 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -9.865 -11.580 -12.978 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.718 -9.940 -13.578 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -11.388 -10.561 -11.519 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -11.762 -9.270 -12.643 1.00 0.00 H new