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 171:sc= -1.41 USER MOD Set 1.2: A 13 CYS SG : rot -51:sc= -0.318 USER MOD Set 1.3: A 18 HIS : no HE2:sc= -3.25! X(o=-7.2!,f=-7.2) USER MOD Set 1.4: A 23 CYS SG : rot -110:sc= -2.19 USER MOD Single : A 9 THR OG1 : rot 35:sc= 0.167 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= -1.76! C(o=-1.8!,f=-1.3!) USER MOD ----------------------------------------------------------------- ATOM 87 N THR A 9 -12.119 -4.834 -1.719 1.00 0.00 N ATOM 88 CA THR A 9 -11.389 -5.570 -2.744 1.00 0.00 C ATOM 89 C THR A 9 -12.118 -6.854 -3.123 1.00 0.00 C ATOM 90 O THR A 9 -12.904 -7.388 -2.340 1.00 0.00 O ATOM 91 CB THR A 9 -9.964 -5.921 -2.276 1.00 0.00 C ATOM 92 OG1 THR A 9 -9.315 -4.752 -1.764 1.00 0.00 O ATOM 93 CG2 THR A 9 -9.147 -6.502 -3.419 1.00 0.00 C ATOM 0 HA THR A 9 -11.327 -4.920 -3.616 1.00 0.00 H new ATOM 0 HB THR A 9 -10.038 -6.669 -1.487 1.00 0.00 H new ATOM 0 HG1 THR A 9 -9.973 -4.184 -1.312 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.145 -6.742 -3.064 1.00 0.00 H new ATOM 0 HG22 THR A 9 -9.629 -7.408 -3.787 1.00 0.00 H new ATOM 0 HG23 THR A 9 -9.081 -5.773 -4.227 1.00 0.00 H new ATOM 101 N CYS A 10 -11.853 -7.346 -4.328 1.00 0.00 N ATOM 102 CA CYS A 10 -12.483 -8.568 -4.812 1.00 0.00 C ATOM 103 C CYS A 10 -12.273 -9.715 -3.827 1.00 0.00 C ATOM 104 O CYS A 10 -11.149 -10.177 -3.626 1.00 0.00 O ATOM 105 CB CYS A 10 -11.922 -8.949 -6.183 1.00 0.00 C ATOM 106 SG CYS A 10 -12.541 -10.537 -6.825 1.00 0.00 S ATOM 0 H CYS A 10 -11.205 -6.916 -4.988 1.00 0.00 H new ATOM 0 HA CYS A 10 -13.553 -8.383 -4.905 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -12.167 -8.161 -6.895 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -10.835 -8.994 -6.119 1.00 0.00 H new ATOM 0 HG CYS A 10 -12.158 -10.685 -8.059 1.00 0.00 H new ATOM 111 N PHE A 11 -13.361 -10.171 -3.216 1.00 0.00 N ATOM 112 CA PHE A 11 -13.297 -11.263 -2.252 1.00 0.00 C ATOM 113 C PHE A 11 -13.107 -12.602 -2.959 1.00 0.00 C ATOM 114 O PHE A 11 -12.931 -13.636 -2.316 1.00 0.00 O ATOM 115 CB PHE A 11 -14.569 -11.297 -1.403 1.00 0.00 C ATOM 116 CG PHE A 11 -14.508 -12.286 -0.273 1.00 0.00 C ATOM 117 CD1 PHE A 11 -13.618 -12.108 0.774 1.00 0.00 C ATOM 118 CD2 PHE A 11 -15.342 -13.392 -0.258 1.00 0.00 C ATOM 119 CE1 PHE A 11 -13.560 -13.016 1.814 1.00 0.00 C ATOM 120 CE2 PHE A 11 -15.289 -14.304 0.779 1.00 0.00 C ATOM 121 CZ PHE A 11 -14.397 -14.115 1.817 1.00 0.00 C ATOM 0 H PHE A 11 -14.299 -9.801 -3.372 1.00 0.00 H new ATOM 0 HA PHE A 11 -12.439 -11.091 -1.602 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -14.751 -10.303 -0.996 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -15.417 -11.540 -2.043 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -12.962 -11.250 0.777 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -16.042 -13.543 -1.066 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -12.861 -12.867 2.624 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -15.944 -15.163 0.778 1.00 0.00 H new ATOM 0 HZ PHE A 11 -14.354 -14.825 2.629 1.00 0.00 H new ATOM 131 N ARG A 12 -13.146 -12.573 -4.288 1.00 0.00 N ATOM 132 CA ARG A 12 -12.981 -13.784 -5.083 1.00 0.00 C ATOM 133 C ARG A 12 -11.508 -14.174 -5.180 1.00 0.00 C ATOM 134 O ARG A 12 -11.093 -15.209 -4.659 1.00 0.00 O ATOM 135 CB ARG A 12 -13.560 -13.582 -6.484 1.00 0.00 C ATOM 136 CG ARG A 12 -13.965 -14.878 -7.168 1.00 0.00 C ATOM 137 CD ARG A 12 -14.717 -14.613 -8.463 1.00 0.00 C ATOM 138 NE ARG A 12 -14.829 -15.814 -9.286 1.00 0.00 N ATOM 139 CZ ARG A 12 -15.630 -16.832 -8.995 1.00 0.00 C ATOM 140 NH1 ARG A 12 -16.385 -16.795 -7.906 1.00 0.00 N ATOM 141 NH2 ARG A 12 -15.677 -17.891 -9.793 1.00 0.00 N ATOM 0 H ARG A 12 -13.290 -11.725 -4.836 1.00 0.00 H new ATOM 0 HA ARG A 12 -13.521 -14.591 -4.587 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -14.430 -12.929 -6.418 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -12.823 -13.070 -7.102 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -13.076 -15.473 -7.377 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -14.591 -15.465 -6.496 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -15.714 -14.237 -8.233 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -14.205 -13.834 -9.027 1.00 0.00 H new ATOM 0 HE ARG A 12 -14.261 -15.874 -10.131 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -16.351 -15.983 -7.289 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -17.000 -17.578 -7.685 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -15.097 -17.924 -10.632 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -16.293 -18.672 -9.568 1.00 0.00 H new ATOM 155 N CYS A 13 -10.724 -13.338 -5.853 1.00 0.00 N ATOM 156 CA CYS A 13 -9.299 -13.594 -6.020 1.00 0.00 C ATOM 157 C CYS A 13 -8.478 -12.776 -5.027 1.00 0.00 C ATOM 158 O CYS A 13 -7.437 -13.223 -4.549 1.00 0.00 O ATOM 159 CB CYS A 13 -8.865 -13.265 -7.450 1.00 0.00 C ATOM 160 SG CYS A 13 -8.983 -11.497 -7.874 1.00 0.00 S ATOM 0 H CYS A 13 -11.052 -12.477 -6.291 1.00 0.00 H new ATOM 0 HA CYS A 13 -9.121 -14.652 -5.827 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -7.835 -13.594 -7.591 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -9.480 -13.836 -8.146 1.00 0.00 H new ATOM 0 HG CYS A 13 -10.164 -11.053 -7.560 1.00 0.00 H new ATOM 165 N GLY A 14 -8.957 -11.574 -4.720 1.00 0.00 N ATOM 166 CA GLY A 14 -8.256 -10.713 -3.786 1.00 0.00 C ATOM 167 C GLY A 14 -7.487 -9.607 -4.481 1.00 0.00 C ATOM 168 O GLY A 14 -6.370 -9.274 -4.085 1.00 0.00 O ATOM 0 H GLY A 14 -9.818 -11.182 -5.102 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -8.974 -10.273 -3.094 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.566 -11.312 -3.192 1.00 0.00 H new ATOM 172 N LYS A 15 -8.084 -9.038 -5.522 1.00 0.00 N ATOM 173 CA LYS A 15 -7.449 -7.964 -6.276 1.00 0.00 C ATOM 174 C LYS A 15 -8.370 -6.752 -6.378 1.00 0.00 C ATOM 175 O LYS A 15 -9.551 -6.866 -6.706 1.00 0.00 O ATOM 176 CB LYS A 15 -7.071 -8.450 -7.677 1.00 0.00 C ATOM 177 CG LYS A 15 -5.910 -9.429 -7.689 1.00 0.00 C ATOM 178 CD LYS A 15 -4.578 -8.712 -7.837 1.00 0.00 C ATOM 179 CE LYS A 15 -4.185 -8.563 -9.299 1.00 0.00 C ATOM 180 NZ LYS A 15 -2.798 -8.044 -9.450 1.00 0.00 N ATOM 0 H LYS A 15 -9.008 -9.303 -5.863 1.00 0.00 H new ATOM 0 HA LYS A 15 -6.545 -7.667 -5.745 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.939 -8.924 -8.135 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.815 -7.589 -8.294 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.912 -10.008 -6.766 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.037 -10.136 -8.509 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.640 -7.727 -7.374 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.804 -9.266 -7.306 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.268 -9.529 -9.798 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.882 -7.887 -9.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.568 -7.957 -10.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.725 -7.111 -8.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.130 -8.701 -8.999 1.00 0.00 H new ATOM 194 N PRO A 16 -7.819 -5.563 -6.092 1.00 0.00 N ATOM 195 CA PRO A 16 -8.573 -4.307 -6.146 1.00 0.00 C ATOM 196 C PRO A 16 -8.931 -3.908 -7.574 1.00 0.00 C ATOM 197 O PRO A 16 -8.568 -4.591 -8.530 1.00 0.00 O ATOM 198 CB PRO A 16 -7.610 -3.288 -5.531 1.00 0.00 C ATOM 199 CG PRO A 16 -6.254 -3.860 -5.764 1.00 0.00 C ATOM 200 CD PRO A 16 -6.417 -5.353 -5.693 1.00 0.00 C ATOM 0 HA PRO A 16 -9.527 -4.381 -5.624 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -7.714 -2.311 -6.002 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -7.805 -3.151 -4.467 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.864 -3.556 -6.735 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.548 -3.508 -5.012 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -5.727 -5.865 -6.364 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -6.224 -5.731 -4.689 1.00 0.00 H new ATOM 208 N GLY A 17 -9.646 -2.795 -7.711 1.00 0.00 N ATOM 209 CA GLY A 17 -10.041 -2.324 -9.025 1.00 0.00 C ATOM 210 C GLY A 17 -11.343 -2.943 -9.496 1.00 0.00 C ATOM 211 O GLY A 17 -12.049 -2.366 -10.324 1.00 0.00 O ATOM 0 H GLY A 17 -9.958 -2.211 -6.935 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -10.145 -1.239 -9.003 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -9.253 -2.554 -9.742 1.00 0.00 H new ATOM 215 N HIS A 18 -11.660 -4.121 -8.969 1.00 0.00 N ATOM 216 CA HIS A 18 -12.886 -4.819 -9.342 1.00 0.00 C ATOM 217 C HIS A 18 -13.457 -5.586 -8.153 1.00 0.00 C ATOM 218 O HIS A 18 -12.745 -5.885 -7.194 1.00 0.00 O ATOM 219 CB HIS A 18 -12.618 -5.780 -10.501 1.00 0.00 C ATOM 220 CG HIS A 18 -11.824 -6.987 -10.108 1.00 0.00 C ATOM 221 ND1 HIS A 18 -10.449 -7.044 -10.196 1.00 0.00 N ATOM 222 CD2 HIS A 18 -12.219 -8.187 -9.622 1.00 0.00 C ATOM 223 CE1 HIS A 18 -10.033 -8.228 -9.781 1.00 0.00 C ATOM 224 NE2 HIS A 18 -11.087 -8.940 -9.427 1.00 0.00 N ATOM 0 H HIS A 18 -11.086 -4.612 -8.283 1.00 0.00 H new ATOM 0 HA HIS A 18 -13.617 -4.075 -9.658 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -13.570 -6.103 -10.922 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -12.086 -5.246 -11.289 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -9.847 -6.291 -10.529 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -13.235 -8.495 -9.424 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -9.005 -8.557 -9.739 1.00 0.00 H new ATOM 232 N TYR A 19 -14.746 -5.899 -8.222 1.00 0.00 N ATOM 233 CA TYR A 19 -15.414 -6.628 -7.150 1.00 0.00 C ATOM 234 C TYR A 19 -15.580 -8.101 -7.513 1.00 0.00 C ATOM 235 O TYR A 19 -15.298 -8.509 -8.640 1.00 0.00 O ATOM 236 CB TYR A 19 -16.780 -6.006 -6.857 1.00 0.00 C ATOM 237 CG TYR A 19 -17.437 -5.387 -8.070 1.00 0.00 C ATOM 238 CD1 TYR A 19 -18.256 -6.141 -8.902 1.00 0.00 C ATOM 239 CD2 TYR A 19 -17.239 -4.048 -8.384 1.00 0.00 C ATOM 240 CE1 TYR A 19 -18.856 -5.579 -10.012 1.00 0.00 C ATOM 241 CE2 TYR A 19 -17.837 -3.478 -9.491 1.00 0.00 C ATOM 242 CZ TYR A 19 -18.644 -4.247 -10.302 1.00 0.00 C ATOM 243 OH TYR A 19 -19.242 -3.684 -11.406 1.00 0.00 O ATOM 0 H TYR A 19 -15.349 -5.659 -9.009 1.00 0.00 H new ATOM 0 HA TYR A 19 -14.792 -6.561 -6.257 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -17.439 -6.773 -6.449 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -16.665 -5.243 -6.088 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -18.426 -7.184 -8.677 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -16.607 -3.442 -7.752 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -19.488 -6.179 -10.650 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -17.673 -2.435 -9.720 1.00 0.00 H new ATOM 0 HH TYR A 19 -18.992 -2.738 -11.467 1.00 0.00 H new ATOM 253 N ILE A 20 -16.039 -8.892 -6.549 1.00 0.00 N ATOM 254 CA ILE A 20 -16.244 -10.319 -6.767 1.00 0.00 C ATOM 255 C ILE A 20 -17.292 -10.565 -7.846 1.00 0.00 C ATOM 256 O ILE A 20 -17.376 -11.657 -8.408 1.00 0.00 O ATOM 257 CB ILE A 20 -16.680 -11.029 -5.472 1.00 0.00 C ATOM 258 CG1 ILE A 20 -17.015 -12.494 -5.755 1.00 0.00 C ATOM 259 CG2 ILE A 20 -17.875 -10.317 -4.854 1.00 0.00 C ATOM 260 CD1 ILE A 20 -16.765 -13.410 -4.578 1.00 0.00 C ATOM 0 H ILE A 20 -16.276 -8.570 -5.611 1.00 0.00 H new ATOM 0 HA ILE A 20 -15.288 -10.729 -7.092 1.00 0.00 H new ATOM 0 HB ILE A 20 -15.854 -10.996 -4.762 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -18.063 -12.569 -6.047 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -16.422 -12.836 -6.603 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -18.171 -10.831 -3.939 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -17.604 -9.287 -4.620 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -18.706 -10.322 -5.559 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -17.025 -14.433 -4.851 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -15.712 -13.365 -4.299 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -17.378 -13.093 -3.734 1.00 0.00 H new ATOM 272 N LYS A 21 -18.090 -9.542 -8.133 1.00 0.00 N ATOM 273 CA LYS A 21 -19.132 -9.644 -9.148 1.00 0.00 C ATOM 274 C LYS A 21 -18.574 -9.338 -10.534 1.00 0.00 C ATOM 275 O LYS A 21 -19.068 -9.848 -11.538 1.00 0.00 O ATOM 276 CB LYS A 21 -20.282 -8.686 -8.826 1.00 0.00 C ATOM 277 CG LYS A 21 -20.357 -8.297 -7.360 1.00 0.00 C ATOM 278 CD LYS A 21 -21.772 -7.920 -6.955 1.00 0.00 C ATOM 279 CE LYS A 21 -21.778 -6.972 -5.766 1.00 0.00 C ATOM 280 NZ LYS A 21 -23.158 -6.711 -5.271 1.00 0.00 N ATOM 0 H LYS A 21 -18.035 -8.632 -7.676 1.00 0.00 H new ATOM 0 HA LYS A 21 -19.508 -10.667 -9.145 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -20.171 -7.784 -9.427 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -21.224 -9.151 -9.119 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -20.010 -9.127 -6.744 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -19.688 -7.458 -7.171 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -22.280 -7.451 -7.798 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -22.333 -8.821 -6.706 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -21.178 -7.396 -4.961 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -21.310 -6.030 -6.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -23.119 -6.061 -4.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -23.724 -6.283 -6.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -23.596 -7.607 -4.975 1.00 0.00 H new ATOM 294 N ASN A 22 -17.541 -8.503 -10.580 1.00 0.00 N ATOM 295 CA ASN A 22 -16.915 -8.130 -11.843 1.00 0.00 C ATOM 296 C ASN A 22 -15.534 -8.765 -11.974 1.00 0.00 C ATOM 297 O ASN A 22 -14.714 -8.333 -12.785 1.00 0.00 O ATOM 298 CB ASN A 22 -16.802 -6.608 -11.950 1.00 0.00 C ATOM 299 CG ASN A 22 -16.007 -6.172 -13.166 1.00 0.00 C ATOM 300 OD1 ASN A 22 -16.307 -6.569 -14.292 1.00 0.00 O ATOM 301 ND2 ASN A 22 -14.988 -5.351 -12.943 1.00 0.00 N ATOM 0 H ASN A 22 -17.120 -8.072 -9.757 1.00 0.00 H new ATOM 0 HA ASN A 22 -17.543 -8.499 -12.654 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -17.801 -6.175 -11.998 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -16.328 -6.217 -11.050 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -14.417 -5.023 -13.722 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -14.776 -5.048 -11.992 1.00 0.00 H new ATOM 308 N CYS A 23 -15.282 -9.793 -11.170 1.00 0.00 N ATOM 309 CA CYS A 23 -14.001 -10.488 -11.195 1.00 0.00 C ATOM 310 C CYS A 23 -13.820 -11.249 -12.505 1.00 0.00 C ATOM 311 O CYS A 23 -14.727 -11.927 -12.988 1.00 0.00 O ATOM 312 CB CYS A 23 -13.898 -11.454 -10.013 1.00 0.00 C ATOM 313 SG CYS A 23 -12.294 -12.308 -9.888 1.00 0.00 S ATOM 0 H CYS A 23 -15.949 -10.163 -10.493 1.00 0.00 H new ATOM 0 HA CYS A 23 -13.210 -9.742 -11.116 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -14.077 -10.902 -9.090 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -14.689 -12.199 -10.097 1.00 0.00 H new ATOM 0 HG CYS A 23 -12.449 -13.566 -10.176 1.00 0.00 H new ATOM 318 N PRO A 24 -12.621 -11.134 -13.095 1.00 0.00 N ATOM 319 CA PRO A 24 -12.292 -11.805 -14.356 1.00 0.00 C ATOM 320 C PRO A 24 -12.178 -13.317 -14.197 1.00 0.00 C ATOM 321 O PRO A 24 -12.544 -14.076 -15.095 1.00 0.00 O ATOM 322 CB PRO A 24 -10.936 -11.204 -14.734 1.00 0.00 C ATOM 323 CG PRO A 24 -10.339 -10.770 -13.440 1.00 0.00 C ATOM 324 CD PRO A 24 -11.493 -10.342 -12.575 1.00 0.00 C ATOM 0 HA PRO A 24 -13.065 -11.657 -15.110 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.304 -11.937 -15.235 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -11.053 -10.363 -15.418 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -9.783 -11.584 -12.974 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.638 -9.949 -13.589 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -11.306 -10.553 -11.522 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -11.682 -9.272 -12.657 1.00 0.00 H new