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= -3.03 USER MOD Set 1.2: A 13 CYS SG : rot -50:sc= -0.538 USER MOD Set 1.3: A 18 HIS : no HE2:sc= -2.83! K(o=-8.6!,f=-9.4) USER MOD Set 1.4: A 23 CYS SG : rot -108:sc= -2.22 USER MOD Single : A 9 THR OG1 : rot 33:sc= 0.164 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= -2.11! C(o=-2.1!,f=-1.2!) USER MOD ----------------------------------------------------------------- ATOM 87 N THR A 9 -12.127 -4.816 -1.711 1.00 0.00 N ATOM 88 CA THR A 9 -11.375 -5.573 -2.704 1.00 0.00 C ATOM 89 C THR A 9 -12.102 -6.857 -3.085 1.00 0.00 C ATOM 90 O THR A 9 -12.860 -7.412 -2.289 1.00 0.00 O ATOM 91 CB THR A 9 -9.966 -5.927 -2.191 1.00 0.00 C ATOM 92 OG1 THR A 9 -9.319 -4.753 -1.686 1.00 0.00 O ATOM 93 CG2 THR A 9 -9.124 -6.539 -3.300 1.00 0.00 C ATOM 0 HA THR A 9 -11.285 -4.936 -3.584 1.00 0.00 H new ATOM 0 HB THR A 9 -10.069 -6.658 -1.389 1.00 0.00 H new ATOM 0 HG1 THR A 9 -9.988 -4.156 -1.290 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.134 -6.781 -2.914 1.00 0.00 H new ATOM 0 HG22 THR A 9 -9.604 -7.448 -3.662 1.00 0.00 H new ATOM 0 HG23 THR A 9 -9.030 -5.827 -4.120 1.00 0.00 H new ATOM 101 N CYS A 10 -11.867 -7.325 -4.306 1.00 0.00 N ATOM 102 CA CYS A 10 -12.499 -8.545 -4.793 1.00 0.00 C ATOM 103 C CYS A 10 -12.278 -9.699 -3.819 1.00 0.00 C ATOM 104 O CYS A 10 -11.155 -10.172 -3.645 1.00 0.00 O ATOM 105 CB CYS A 10 -11.949 -8.914 -6.172 1.00 0.00 C ATOM 106 SG CYS A 10 -12.621 -10.466 -6.849 1.00 0.00 S ATOM 0 H CYS A 10 -11.243 -6.877 -4.977 1.00 0.00 H new ATOM 0 HA CYS A 10 -13.570 -8.362 -4.874 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -12.166 -8.103 -6.867 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -10.864 -8.997 -6.108 1.00 0.00 H new ATOM 0 HG CYS A 10 -12.217 -10.615 -8.075 1.00 0.00 H new ATOM 111 N PHE A 11 -13.358 -10.147 -3.187 1.00 0.00 N ATOM 112 CA PHE A 11 -13.282 -11.245 -2.230 1.00 0.00 C ATOM 113 C PHE A 11 -13.129 -12.582 -2.947 1.00 0.00 C ATOM 114 O PHE A 11 -13.025 -13.632 -2.312 1.00 0.00 O ATOM 115 CB PHE A 11 -14.532 -11.267 -1.347 1.00 0.00 C ATOM 116 CG PHE A 11 -14.446 -12.245 -0.210 1.00 0.00 C ATOM 117 CD1 PHE A 11 -13.903 -11.867 1.007 1.00 0.00 C ATOM 118 CD2 PHE A 11 -14.909 -13.542 -0.359 1.00 0.00 C ATOM 119 CE1 PHE A 11 -13.822 -12.765 2.054 1.00 0.00 C ATOM 120 CE2 PHE A 11 -14.831 -14.445 0.685 1.00 0.00 C ATOM 121 CZ PHE A 11 -14.288 -14.055 1.893 1.00 0.00 C ATOM 0 H PHE A 11 -14.295 -9.767 -3.320 1.00 0.00 H new ATOM 0 HA PHE A 11 -12.405 -11.087 -1.603 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -14.700 -10.268 -0.945 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -15.397 -11.513 -1.962 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -13.539 -10.859 1.139 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -15.336 -13.851 -1.302 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -13.395 -12.458 2.997 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -15.194 -15.454 0.556 1.00 0.00 H new ATOM 0 HZ PHE A 11 -14.228 -14.758 2.711 1.00 0.00 H new ATOM 131 N ARG A 12 -13.117 -12.537 -4.275 1.00 0.00 N ATOM 132 CA ARG A 12 -12.979 -13.744 -5.080 1.00 0.00 C ATOM 133 C ARG A 12 -11.515 -14.158 -5.193 1.00 0.00 C ATOM 134 O ARG A 12 -11.106 -15.188 -4.656 1.00 0.00 O ATOM 135 CB ARG A 12 -13.567 -13.523 -6.475 1.00 0.00 C ATOM 136 CG ARG A 12 -13.999 -14.807 -7.165 1.00 0.00 C ATOM 137 CD ARG A 12 -14.801 -14.520 -8.425 1.00 0.00 C ATOM 138 NE ARG A 12 -15.074 -15.734 -9.188 1.00 0.00 N ATOM 139 CZ ARG A 12 -15.924 -16.675 -8.792 1.00 0.00 C ATOM 140 NH1 ARG A 12 -16.580 -16.542 -7.648 1.00 0.00 N ATOM 141 NH2 ARG A 12 -16.119 -17.752 -9.542 1.00 0.00 N ATOM 0 H ARG A 12 -13.201 -11.677 -4.816 1.00 0.00 H new ATOM 0 HA ARG A 12 -13.528 -14.545 -4.585 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -14.426 -12.856 -6.397 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -12.827 -13.018 -7.096 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -13.119 -15.398 -7.419 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -14.598 -15.406 -6.479 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -15.743 -14.042 -8.154 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -14.254 -13.814 -9.050 1.00 0.00 H new ATOM 0 HE ARG A 12 -14.586 -15.867 -10.073 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -16.433 -15.715 -7.069 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -17.232 -17.266 -7.347 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -15.616 -17.858 -10.423 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -16.772 -18.474 -9.237 1.00 0.00 H new ATOM 155 N CYS A 13 -10.729 -13.348 -5.896 1.00 0.00 N ATOM 156 CA CYS A 13 -9.311 -13.629 -6.081 1.00 0.00 C ATOM 157 C CYS A 13 -8.464 -12.821 -5.103 1.00 0.00 C ATOM 158 O CYS A 13 -7.372 -13.238 -4.719 1.00 0.00 O ATOM 159 CB CYS A 13 -8.890 -13.314 -7.518 1.00 0.00 C ATOM 160 SG CYS A 13 -8.996 -11.548 -7.954 1.00 0.00 S ATOM 0 H CYS A 13 -11.051 -12.492 -6.347 1.00 0.00 H new ATOM 0 HA CYS A 13 -9.148 -14.689 -5.886 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -7.865 -13.653 -7.668 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -9.518 -13.885 -8.203 1.00 0.00 H new ATOM 0 HG CYS A 13 -10.168 -11.090 -7.628 1.00 0.00 H new ATOM 165 N GLY A 14 -8.977 -11.661 -4.703 1.00 0.00 N ATOM 166 CA GLY A 14 -8.255 -10.812 -3.773 1.00 0.00 C ATOM 167 C GLY A 14 -7.489 -9.706 -4.472 1.00 0.00 C ATOM 168 O GLY A 14 -6.371 -9.371 -4.080 1.00 0.00 O ATOM 0 H GLY A 14 -9.879 -11.294 -5.006 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -8.959 -10.372 -3.066 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.561 -11.421 -3.194 1.00 0.00 H new ATOM 172 N LYS A 15 -8.090 -9.138 -5.511 1.00 0.00 N ATOM 173 CA LYS A 15 -7.458 -8.064 -6.268 1.00 0.00 C ATOM 174 C LYS A 15 -8.383 -6.855 -6.372 1.00 0.00 C ATOM 175 O LYS A 15 -9.555 -6.968 -6.730 1.00 0.00 O ATOM 176 CB LYS A 15 -7.081 -8.552 -7.668 1.00 0.00 C ATOM 177 CG LYS A 15 -5.916 -9.526 -7.679 1.00 0.00 C ATOM 178 CD LYS A 15 -4.587 -8.805 -7.828 1.00 0.00 C ATOM 179 CE LYS A 15 -4.198 -8.647 -9.290 1.00 0.00 C ATOM 180 NZ LYS A 15 -2.743 -8.373 -9.450 1.00 0.00 N ATOM 0 H LYS A 15 -9.015 -9.404 -5.849 1.00 0.00 H new ATOM 0 HA LYS A 15 -6.554 -7.764 -5.739 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.948 -9.031 -8.123 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.830 -7.692 -8.288 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.915 -10.104 -6.755 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.041 -10.234 -8.498 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.650 -7.823 -7.359 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.810 -9.360 -7.302 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.459 -9.554 -9.835 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.772 -7.833 -9.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.518 -8.272 -10.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.498 -7.494 -8.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.195 -9.162 -9.051 1.00 0.00 H new ATOM 194 N PRO A 16 -7.845 -5.668 -6.052 1.00 0.00 N ATOM 195 CA PRO A 16 -8.604 -4.415 -6.103 1.00 0.00 C ATOM 196 C PRO A 16 -8.929 -3.993 -7.532 1.00 0.00 C ATOM 197 O PRO A 16 -8.579 -4.683 -8.489 1.00 0.00 O ATOM 198 CB PRO A 16 -7.661 -3.403 -5.448 1.00 0.00 C ATOM 199 CG PRO A 16 -6.297 -3.964 -5.658 1.00 0.00 C ATOM 200 CD PRO A 16 -6.454 -5.459 -5.616 1.00 0.00 C ATOM 0 HA PRO A 16 -9.570 -4.502 -5.606 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -7.758 -2.418 -5.905 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -7.882 -3.286 -4.387 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.885 -3.641 -6.614 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.611 -3.622 -4.884 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -5.746 -5.956 -6.279 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -6.283 -5.853 -4.614 1.00 0.00 H new ATOM 208 N GLY A 17 -9.602 -2.854 -7.669 1.00 0.00 N ATOM 209 CA GLY A 17 -9.963 -2.360 -8.985 1.00 0.00 C ATOM 210 C GLY A 17 -11.293 -2.906 -9.464 1.00 0.00 C ATOM 211 O GLY A 17 -12.008 -2.246 -10.220 1.00 0.00 O ATOM 0 H GLY A 17 -9.903 -2.265 -6.893 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -10.008 -1.271 -8.961 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -9.184 -2.631 -9.698 1.00 0.00 H new ATOM 215 N HIS A 18 -11.628 -4.116 -9.026 1.00 0.00 N ATOM 216 CA HIS A 18 -12.881 -4.751 -9.417 1.00 0.00 C ATOM 217 C HIS A 18 -13.524 -5.459 -8.228 1.00 0.00 C ATOM 218 O HIS A 18 -12.892 -5.648 -7.189 1.00 0.00 O ATOM 219 CB HIS A 18 -12.641 -5.748 -10.550 1.00 0.00 C ATOM 220 CG HIS A 18 -11.862 -6.956 -10.130 1.00 0.00 C ATOM 221 ND1 HIS A 18 -10.485 -7.017 -10.174 1.00 0.00 N ATOM 222 CD2 HIS A 18 -12.275 -8.154 -9.655 1.00 0.00 C ATOM 223 CE1 HIS A 18 -10.085 -8.201 -9.745 1.00 0.00 C ATOM 224 NE2 HIS A 18 -11.152 -8.910 -9.423 1.00 0.00 N ATOM 0 H HIS A 18 -11.049 -4.676 -8.400 1.00 0.00 H new ATOM 0 HA HIS A 18 -13.560 -3.974 -9.766 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -13.603 -6.068 -10.951 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -12.109 -5.246 -11.358 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -9.871 -6.266 -10.489 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -13.298 -8.459 -9.489 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -9.060 -8.533 -9.670 1.00 0.00 H new ATOM 232 N TYR A 19 -14.784 -5.849 -8.389 1.00 0.00 N ATOM 233 CA TYR A 19 -15.514 -6.533 -7.328 1.00 0.00 C ATOM 234 C TYR A 19 -15.738 -8.001 -7.681 1.00 0.00 C ATOM 235 O TYR A 19 -15.756 -8.373 -8.854 1.00 0.00 O ATOM 236 CB TYR A 19 -16.857 -5.846 -7.079 1.00 0.00 C ATOM 237 CG TYR A 19 -17.430 -5.173 -8.306 1.00 0.00 C ATOM 238 CD1 TYR A 19 -16.786 -4.090 -8.892 1.00 0.00 C ATOM 239 CD2 TYR A 19 -18.615 -5.618 -8.879 1.00 0.00 C ATOM 240 CE1 TYR A 19 -17.305 -3.471 -10.013 1.00 0.00 C ATOM 241 CE2 TYR A 19 -19.140 -5.007 -10.000 1.00 0.00 C ATOM 242 CZ TYR A 19 -18.482 -3.933 -10.563 1.00 0.00 C ATOM 243 OH TYR A 19 -19.004 -3.320 -11.680 1.00 0.00 O ATOM 0 H TYR A 19 -15.321 -5.703 -9.244 1.00 0.00 H new ATOM 0 HA TYR A 19 -14.915 -6.483 -6.419 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -17.571 -6.584 -6.713 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -16.735 -5.103 -6.291 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -15.864 -3.726 -8.464 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -19.135 -6.457 -8.440 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -16.792 -2.630 -10.456 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -20.061 -5.368 -10.434 1.00 0.00 H new ATOM 0 HH TYR A 19 -19.836 -3.768 -11.941 1.00 0.00 H new ATOM 253 N ILE A 20 -15.909 -8.829 -6.656 1.00 0.00 N ATOM 254 CA ILE A 20 -16.134 -10.255 -6.856 1.00 0.00 C ATOM 255 C ILE A 20 -17.151 -10.501 -7.966 1.00 0.00 C ATOM 256 O ILE A 20 -17.052 -11.477 -8.709 1.00 0.00 O ATOM 257 CB ILE A 20 -16.626 -10.934 -5.564 1.00 0.00 C ATOM 258 CG1 ILE A 20 -16.993 -12.394 -5.838 1.00 0.00 C ATOM 259 CG2 ILE A 20 -17.818 -10.181 -4.991 1.00 0.00 C ATOM 260 CD1 ILE A 20 -16.765 -13.306 -4.653 1.00 0.00 C ATOM 0 H ILE A 20 -15.896 -8.537 -5.679 1.00 0.00 H new ATOM 0 HA ILE A 20 -15.176 -10.689 -7.142 1.00 0.00 H new ATOM 0 HB ILE A 20 -15.821 -10.913 -4.830 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -18.041 -12.448 -6.131 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -16.407 -12.755 -6.683 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -18.154 -10.673 -4.078 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -17.526 -9.156 -4.764 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -18.629 -10.175 -5.720 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -17.046 -14.325 -4.919 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -15.712 -13.282 -4.372 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -17.372 -12.969 -3.813 1.00 0.00 H new ATOM 272 N LYS A 21 -18.128 -9.607 -8.074 1.00 0.00 N ATOM 273 CA LYS A 21 -19.162 -9.723 -9.095 1.00 0.00 C ATOM 274 C LYS A 21 -18.602 -9.400 -10.476 1.00 0.00 C ATOM 275 O LYS A 21 -19.030 -9.971 -11.478 1.00 0.00 O ATOM 276 CB LYS A 21 -20.331 -8.788 -8.775 1.00 0.00 C ATOM 277 CG LYS A 21 -20.446 -8.440 -7.300 1.00 0.00 C ATOM 278 CD LYS A 21 -21.774 -7.774 -6.987 1.00 0.00 C ATOM 279 CE LYS A 21 -21.646 -6.792 -5.832 1.00 0.00 C ATOM 280 NZ LYS A 21 -22.790 -5.840 -5.784 1.00 0.00 N ATOM 0 H LYS A 21 -18.225 -8.794 -7.466 1.00 0.00 H new ATOM 0 HA LYS A 21 -19.519 -10.753 -9.099 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -20.217 -7.868 -9.349 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -21.259 -9.256 -9.103 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -20.342 -9.346 -6.702 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -19.629 -7.776 -7.017 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -22.138 -7.251 -7.872 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -22.514 -8.535 -6.739 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -21.591 -7.342 -4.892 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -20.714 -6.235 -5.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -22.666 -5.188 -4.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -22.827 -5.297 -6.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -23.677 -6.369 -5.665 1.00 0.00 H new ATOM 294 N ASN A 22 -17.643 -8.481 -10.520 1.00 0.00 N ATOM 295 CA ASN A 22 -17.024 -8.083 -11.780 1.00 0.00 C ATOM 296 C ASN A 22 -15.639 -8.707 -11.926 1.00 0.00 C ATOM 297 O ASN A 22 -14.827 -8.259 -12.736 1.00 0.00 O ATOM 298 CB ASN A 22 -16.920 -6.559 -11.861 1.00 0.00 C ATOM 299 CG ASN A 22 -16.136 -6.097 -13.075 1.00 0.00 C ATOM 300 OD1 ASN A 22 -16.468 -6.441 -14.209 1.00 0.00 O ATOM 301 ND2 ASN A 22 -15.090 -5.314 -12.840 1.00 0.00 N ATOM 0 H ASN A 22 -17.278 -7.998 -9.699 1.00 0.00 H new ATOM 0 HA ASN A 22 -17.653 -8.442 -12.595 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -17.922 -6.130 -11.894 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -16.441 -6.182 -10.957 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -14.524 -4.972 -13.617 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -14.852 -5.054 -11.883 1.00 0.00 H new ATOM 308 N CYS A 23 -15.377 -9.744 -11.138 1.00 0.00 N ATOM 309 CA CYS A 23 -14.092 -10.431 -11.179 1.00 0.00 C ATOM 310 C CYS A 23 -13.922 -11.189 -12.491 1.00 0.00 C ATOM 311 O CYS A 23 -14.831 -11.872 -12.965 1.00 0.00 O ATOM 312 CB CYS A 23 -13.968 -11.397 -9.999 1.00 0.00 C ATOM 313 SG CYS A 23 -12.367 -12.261 -9.910 1.00 0.00 S ATOM 0 H CYS A 23 -16.038 -10.127 -10.463 1.00 0.00 H new ATOM 0 HA CYS A 23 -13.305 -9.680 -11.109 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -14.122 -10.844 -9.073 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -14.765 -12.138 -10.064 1.00 0.00 H new ATOM 0 HG CYS A 23 -12.529 -13.509 -10.234 1.00 0.00 H new ATOM 318 N PRO A 24 -12.730 -11.069 -13.095 1.00 0.00 N ATOM 319 CA PRO A 24 -12.412 -11.737 -14.360 1.00 0.00 C ATOM 320 C PRO A 24 -12.289 -13.248 -14.203 1.00 0.00 C ATOM 321 O PRO A 24 -12.857 -14.013 -14.985 1.00 0.00 O ATOM 322 CB PRO A 24 -11.063 -11.129 -14.753 1.00 0.00 C ATOM 323 CG PRO A 24 -10.454 -10.693 -13.465 1.00 0.00 C ATOM 324 CD PRO A 24 -11.600 -10.272 -12.587 1.00 0.00 C ATOM 0 HA PRO A 24 -13.194 -11.592 -15.105 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.433 -11.859 -15.262 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -11.191 -10.288 -15.435 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -9.888 -11.504 -13.006 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.759 -9.868 -13.621 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -11.400 -10.483 -11.536 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -11.795 -9.202 -12.666 1.00 0.00 H new