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= -3.02! USER MOD Set 1.2: A 13 CYS SG : rot -50:sc= -0.278 USER MOD Set 1.3: A 18 HIS : no HE2:sc= -2.85! K(o=-7.3!,f=-8.4) USER MOD Set 1.4: A 23 CYS SG : rot -100:sc= -1.1 USER MOD Single : A 9 THR OG1 : rot 23:sc= 0.265 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= -2.23! C(o=-2.2!,f=-1.3!) USER MOD ----------------------------------------------------------------- ATOM 87 N THR A 9 -12.259 -4.697 -1.843 1.00 0.00 N ATOM 88 CA THR A 9 -11.465 -5.484 -2.777 1.00 0.00 C ATOM 89 C THR A 9 -12.182 -6.775 -3.158 1.00 0.00 C ATOM 90 O THR A 9 -12.986 -7.300 -2.387 1.00 0.00 O ATOM 91 CB THR A 9 -10.085 -5.832 -2.188 1.00 0.00 C ATOM 92 OG1 THR A 9 -9.507 -4.672 -1.578 1.00 0.00 O ATOM 93 CG2 THR A 9 -9.153 -6.362 -3.267 1.00 0.00 C ATOM 0 HA THR A 9 -11.328 -4.871 -3.668 1.00 0.00 H new ATOM 0 HB THR A 9 -10.221 -6.609 -1.435 1.00 0.00 H new ATOM 0 HG1 THR A 9 -10.217 -4.039 -1.341 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.185 -6.601 -2.827 1.00 0.00 H new ATOM 0 HG22 THR A 9 -9.582 -7.261 -3.709 1.00 0.00 H new ATOM 0 HG23 THR A 9 -9.023 -5.604 -4.040 1.00 0.00 H new ATOM 101 N CYS A 10 -11.886 -7.281 -4.350 1.00 0.00 N ATOM 102 CA CYS A 10 -12.503 -8.511 -4.833 1.00 0.00 C ATOM 103 C CYS A 10 -12.313 -9.645 -3.830 1.00 0.00 C ATOM 104 O CYS A 10 -11.199 -10.130 -3.628 1.00 0.00 O ATOM 105 CB CYS A 10 -11.908 -8.907 -6.186 1.00 0.00 C ATOM 106 SG CYS A 10 -12.568 -10.465 -6.861 1.00 0.00 S ATOM 0 H CYS A 10 -11.223 -6.859 -5.000 1.00 0.00 H new ATOM 0 HA CYS A 10 -13.571 -8.330 -4.952 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -12.094 -8.106 -6.901 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -10.827 -8.997 -6.083 1.00 0.00 H new ATOM 0 HG CYS A 10 -12.156 -10.617 -8.084 1.00 0.00 H new ATOM 111 N PHE A 11 -13.407 -10.063 -3.203 1.00 0.00 N ATOM 112 CA PHE A 11 -13.362 -11.139 -2.220 1.00 0.00 C ATOM 113 C PHE A 11 -13.224 -12.496 -2.905 1.00 0.00 C ATOM 114 O PHE A 11 -13.201 -13.536 -2.247 1.00 0.00 O ATOM 115 CB PHE A 11 -14.622 -11.120 -1.352 1.00 0.00 C ATOM 116 CG PHE A 11 -14.509 -11.960 -0.113 1.00 0.00 C ATOM 117 CD1 PHE A 11 -13.980 -11.430 1.053 1.00 0.00 C ATOM 118 CD2 PHE A 11 -14.933 -13.279 -0.113 1.00 0.00 C ATOM 119 CE1 PHE A 11 -13.875 -12.201 2.195 1.00 0.00 C ATOM 120 CE2 PHE A 11 -14.830 -14.055 1.026 1.00 0.00 C ATOM 121 CZ PHE A 11 -14.301 -13.515 2.182 1.00 0.00 C ATOM 0 H PHE A 11 -14.337 -9.673 -3.358 1.00 0.00 H new ATOM 0 HA PHE A 11 -12.490 -10.981 -1.586 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -14.840 -10.091 -1.065 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -15.467 -11.472 -1.944 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -13.646 -10.403 1.069 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -15.349 -13.706 -1.014 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -13.460 -11.776 3.097 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -15.163 -15.082 1.012 1.00 0.00 H new ATOM 0 HZ PHE A 11 -14.221 -14.119 3.074 1.00 0.00 H new ATOM 131 N ARG A 12 -13.133 -12.476 -4.231 1.00 0.00 N ATOM 132 CA ARG A 12 -12.999 -13.703 -5.006 1.00 0.00 C ATOM 133 C ARG A 12 -11.537 -14.132 -5.097 1.00 0.00 C ATOM 134 O ARG A 12 -11.141 -15.150 -4.527 1.00 0.00 O ATOM 135 CB ARG A 12 -13.573 -13.510 -6.411 1.00 0.00 C ATOM 136 CG ARG A 12 -13.991 -14.808 -7.082 1.00 0.00 C ATOM 137 CD ARG A 12 -14.753 -14.547 -8.372 1.00 0.00 C ATOM 138 NE ARG A 12 -15.679 -15.632 -8.689 1.00 0.00 N ATOM 139 CZ ARG A 12 -15.315 -16.754 -9.299 1.00 0.00 C ATOM 140 NH1 ARG A 12 -14.052 -16.939 -9.656 1.00 0.00 N ATOM 141 NH2 ARG A 12 -16.216 -17.695 -9.554 1.00 0.00 N ATOM 0 H ARG A 12 -13.150 -11.623 -4.791 1.00 0.00 H new ATOM 0 HA ARG A 12 -13.559 -14.487 -4.497 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -14.436 -12.846 -6.354 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -12.829 -13.013 -7.033 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -13.108 -15.410 -7.295 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -14.614 -15.387 -6.401 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -15.306 -13.612 -8.284 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -14.046 -14.422 -9.192 1.00 0.00 H new ATOM 0 HE ARG A 12 -16.659 -15.522 -8.427 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -13.356 -16.218 -9.462 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -13.776 -17.802 -10.124 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -17.189 -17.557 -9.281 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -15.935 -18.556 -10.023 1.00 0.00 H new ATOM 155 N CYS A 13 -10.740 -13.350 -5.816 1.00 0.00 N ATOM 156 CA CYS A 13 -9.323 -13.648 -5.983 1.00 0.00 C ATOM 157 C CYS A 13 -8.478 -12.838 -5.004 1.00 0.00 C ATOM 158 O CYS A 13 -7.405 -13.273 -4.587 1.00 0.00 O ATOM 159 CB CYS A 13 -8.884 -13.354 -7.419 1.00 0.00 C ATOM 160 SG CYS A 13 -8.997 -11.596 -7.885 1.00 0.00 S ATOM 0 H CYS A 13 -11.052 -12.504 -6.293 1.00 0.00 H new ATOM 0 HA CYS A 13 -9.173 -14.707 -5.775 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -7.855 -13.688 -7.549 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -9.498 -13.940 -8.103 1.00 0.00 H new ATOM 0 HG CYS A 13 -10.174 -11.139 -7.574 1.00 0.00 H new ATOM 165 N GLY A 14 -8.970 -11.657 -4.643 1.00 0.00 N ATOM 166 CA GLY A 14 -8.248 -10.805 -3.716 1.00 0.00 C ATOM 167 C GLY A 14 -7.479 -9.704 -4.420 1.00 0.00 C ATOM 168 O GLY A 14 -6.362 -9.367 -4.027 1.00 0.00 O ATOM 0 H GLY A 14 -9.855 -11.275 -4.976 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -8.952 -10.360 -3.013 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.556 -11.412 -3.133 1.00 0.00 H new ATOM 172 N LYS A 15 -8.078 -9.141 -5.464 1.00 0.00 N ATOM 173 CA LYS A 15 -7.443 -8.072 -6.225 1.00 0.00 C ATOM 174 C LYS A 15 -8.370 -6.867 -6.347 1.00 0.00 C ATOM 175 O LYS A 15 -9.548 -6.991 -6.684 1.00 0.00 O ATOM 176 CB LYS A 15 -7.054 -8.571 -7.618 1.00 0.00 C ATOM 177 CG LYS A 15 -5.897 -9.556 -7.610 1.00 0.00 C ATOM 178 CD LYS A 15 -4.560 -8.846 -7.743 1.00 0.00 C ATOM 179 CE LYS A 15 -4.151 -8.696 -9.200 1.00 0.00 C ATOM 180 NZ LYS A 15 -2.758 -8.187 -9.336 1.00 0.00 N ATOM 0 H LYS A 15 -9.003 -9.408 -5.802 1.00 0.00 H new ATOM 0 HA LYS A 15 -6.544 -7.765 -5.691 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.920 -9.045 -8.080 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.788 -7.716 -8.240 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.914 -10.131 -6.684 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.016 -10.266 -8.429 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.622 -7.862 -7.278 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.795 -9.405 -7.205 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.236 -9.660 -9.702 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.837 -8.014 -9.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.518 -8.099 -10.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.683 -7.256 -8.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.100 -8.851 -8.880 1.00 0.00 H new ATOM 194 N PRO A 16 -7.829 -5.672 -6.068 1.00 0.00 N ATOM 195 CA PRO A 16 -8.590 -4.421 -6.142 1.00 0.00 C ATOM 196 C PRO A 16 -8.938 -4.038 -7.576 1.00 0.00 C ATOM 197 O PRO A 16 -8.676 -4.792 -8.512 1.00 0.00 O ATOM 198 CB PRO A 16 -7.639 -3.390 -5.529 1.00 0.00 C ATOM 199 CG PRO A 16 -6.277 -3.956 -5.745 1.00 0.00 C ATOM 200 CD PRO A 16 -6.432 -5.449 -5.660 1.00 0.00 C ATOM 0 HA PRO A 16 -9.548 -4.496 -5.628 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -7.745 -2.418 -6.011 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -7.844 -3.244 -4.468 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.880 -3.659 -6.716 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.579 -3.592 -4.991 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -5.734 -5.963 -6.320 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -6.245 -5.815 -4.651 1.00 0.00 H new ATOM 208 N GLY A 17 -9.531 -2.859 -7.742 1.00 0.00 N ATOM 209 CA GLY A 17 -9.905 -2.397 -9.065 1.00 0.00 C ATOM 210 C GLY A 17 -11.248 -2.941 -9.512 1.00 0.00 C ATOM 211 O GLY A 17 -11.979 -2.282 -10.252 1.00 0.00 O ATOM 0 H GLY A 17 -9.759 -2.216 -6.983 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -9.938 -1.308 -9.070 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -9.139 -2.696 -9.781 1.00 0.00 H new ATOM 215 N HIS A 18 -11.573 -4.150 -9.063 1.00 0.00 N ATOM 216 CA HIS A 18 -12.837 -4.784 -9.422 1.00 0.00 C ATOM 217 C HIS A 18 -13.466 -5.466 -8.211 1.00 0.00 C ATOM 218 O HIS A 18 -12.845 -5.569 -7.153 1.00 0.00 O ATOM 219 CB HIS A 18 -12.620 -5.803 -10.541 1.00 0.00 C ATOM 220 CG HIS A 18 -11.822 -6.997 -10.117 1.00 0.00 C ATOM 221 ND1 HIS A 18 -10.444 -7.036 -10.162 1.00 0.00 N ATOM 222 CD2 HIS A 18 -12.215 -8.200 -9.636 1.00 0.00 C ATOM 223 CE1 HIS A 18 -10.025 -8.212 -9.728 1.00 0.00 C ATOM 224 NE2 HIS A 18 -11.080 -8.936 -9.403 1.00 0.00 N ATOM 0 H HIS A 18 -10.979 -4.709 -8.451 1.00 0.00 H new ATOM 0 HA HIS A 18 -13.518 -4.009 -9.774 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -13.590 -6.137 -10.910 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -12.113 -5.314 -11.373 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -9.842 -6.276 -10.480 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -13.232 -8.521 -9.467 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -8.995 -8.527 -9.652 1.00 0.00 H new ATOM 232 N TYR A 19 -14.700 -5.928 -8.374 1.00 0.00 N ATOM 233 CA TYR A 19 -15.414 -6.597 -7.293 1.00 0.00 C ATOM 234 C TYR A 19 -15.618 -8.076 -7.608 1.00 0.00 C ATOM 235 O TYR A 19 -15.546 -8.491 -8.765 1.00 0.00 O ATOM 236 CB TYR A 19 -16.767 -5.924 -7.054 1.00 0.00 C ATOM 237 CG TYR A 19 -17.353 -5.285 -8.293 1.00 0.00 C ATOM 238 CD1 TYR A 19 -16.704 -4.233 -8.928 1.00 0.00 C ATOM 239 CD2 TYR A 19 -18.555 -5.732 -8.827 1.00 0.00 C ATOM 240 CE1 TYR A 19 -17.236 -3.646 -10.060 1.00 0.00 C ATOM 241 CE2 TYR A 19 -19.093 -5.152 -9.959 1.00 0.00 C ATOM 242 CZ TYR A 19 -18.430 -4.109 -10.572 1.00 0.00 C ATOM 243 OH TYR A 19 -18.964 -3.527 -11.699 1.00 0.00 O ATOM 0 H TYR A 19 -15.227 -5.852 -9.244 1.00 0.00 H new ATOM 0 HA TYR A 19 -14.811 -6.516 -6.389 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -17.469 -6.665 -6.671 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -16.653 -5.163 -6.282 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -15.769 -3.868 -8.530 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -19.078 -6.547 -8.349 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -16.720 -2.829 -10.541 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -20.028 -5.513 -10.362 1.00 0.00 H new ATOM 0 HH TYR A 19 -19.807 -3.971 -11.929 1.00 0.00 H new ATOM 253 N ILE A 20 -15.873 -8.866 -6.570 1.00 0.00 N ATOM 254 CA ILE A 20 -16.090 -10.298 -6.736 1.00 0.00 C ATOM 255 C ILE A 20 -17.105 -10.577 -7.838 1.00 0.00 C ATOM 256 O ILE A 20 -17.002 -11.572 -8.556 1.00 0.00 O ATOM 257 CB ILE A 20 -16.577 -10.948 -5.427 1.00 0.00 C ATOM 258 CG1 ILE A 20 -16.999 -12.397 -5.679 1.00 0.00 C ATOM 259 CG2 ILE A 20 -17.730 -10.150 -4.837 1.00 0.00 C ATOM 260 CD1 ILE A 20 -16.790 -13.303 -4.485 1.00 0.00 C ATOM 0 H ILE A 20 -15.934 -8.539 -5.606 1.00 0.00 H new ATOM 0 HA ILE A 20 -15.130 -10.733 -7.013 1.00 0.00 H new ATOM 0 HB ILE A 20 -15.756 -10.947 -4.710 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -18.052 -12.417 -5.960 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -16.436 -12.789 -6.526 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -18.063 -10.622 -3.913 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -17.399 -9.133 -4.627 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -18.555 -10.123 -5.548 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -17.111 -14.314 -4.735 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -15.734 -13.313 -4.216 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -17.375 -12.935 -3.642 1.00 0.00 H new ATOM 272 N LYS A 21 -18.087 -9.690 -7.969 1.00 0.00 N ATOM 273 CA LYS A 21 -19.121 -9.838 -8.986 1.00 0.00 C ATOM 274 C LYS A 21 -18.580 -9.484 -10.368 1.00 0.00 C ATOM 275 O LYS A 21 -18.993 -10.061 -11.373 1.00 0.00 O ATOM 276 CB LYS A 21 -20.322 -8.949 -8.654 1.00 0.00 C ATOM 277 CG LYS A 21 -20.507 -8.707 -7.166 1.00 0.00 C ATOM 278 CD LYS A 21 -21.902 -8.193 -6.854 1.00 0.00 C ATOM 279 CE LYS A 21 -22.937 -9.305 -6.937 1.00 0.00 C ATOM 280 NZ LYS A 21 -24.206 -8.934 -6.251 1.00 0.00 N ATOM 0 H LYS A 21 -18.188 -8.861 -7.383 1.00 0.00 H new ATOM 0 HA LYS A 21 -19.439 -10.880 -8.996 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -20.203 -7.990 -9.158 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -21.226 -9.409 -9.054 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -20.329 -9.634 -6.621 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -19.767 -7.986 -6.819 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -21.915 -7.756 -5.856 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -22.163 -7.398 -7.553 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -23.143 -9.532 -7.983 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -22.533 -10.212 -6.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -24.885 -9.718 -6.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -24.015 -8.742 -5.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -24.606 -8.083 -6.696 1.00 0.00 H new ATOM 294 N ASN A 22 -17.652 -8.533 -10.409 1.00 0.00 N ATOM 295 CA ASN A 22 -17.054 -8.103 -11.668 1.00 0.00 C ATOM 296 C ASN A 22 -15.669 -8.717 -11.849 1.00 0.00 C ATOM 297 O ASN A 22 -14.877 -8.257 -12.672 1.00 0.00 O ATOM 298 CB ASN A 22 -16.958 -6.577 -11.716 1.00 0.00 C ATOM 299 CG ASN A 22 -16.191 -6.084 -12.928 1.00 0.00 C ATOM 300 OD1 ASN A 22 -16.545 -6.391 -14.067 1.00 0.00 O ATOM 301 ND2 ASN A 22 -15.135 -5.316 -12.688 1.00 0.00 N ATOM 0 H ASN A 22 -17.298 -8.046 -9.586 1.00 0.00 H new ATOM 0 HA ASN A 22 -17.693 -8.446 -12.482 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -17.962 -6.153 -11.727 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -16.470 -6.218 -10.810 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -14.580 -4.955 -13.464 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -14.878 -5.087 -11.728 1.00 0.00 H new ATOM 308 N CYS A 23 -15.383 -9.758 -11.075 1.00 0.00 N ATOM 309 CA CYS A 23 -14.094 -10.436 -11.149 1.00 0.00 C ATOM 310 C CYS A 23 -13.950 -11.187 -12.469 1.00 0.00 C ATOM 311 O CYS A 23 -14.864 -11.874 -12.925 1.00 0.00 O ATOM 312 CB CYS A 23 -13.938 -11.408 -9.977 1.00 0.00 C ATOM 313 SG CYS A 23 -12.327 -12.257 -9.926 1.00 0.00 S ATOM 0 H CYS A 23 -16.027 -10.151 -10.389 1.00 0.00 H new ATOM 0 HA CYS A 23 -13.310 -9.681 -11.093 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -14.079 -10.862 -9.044 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -14.729 -12.156 -10.031 1.00 0.00 H new ATOM 0 HG CYS A 23 -12.452 -13.455 -10.415 1.00 0.00 H new ATOM 318 N PRO A 24 -12.773 -11.054 -13.099 1.00 0.00 N ATOM 319 CA PRO A 24 -12.480 -11.713 -14.376 1.00 0.00 C ATOM 320 C PRO A 24 -12.342 -13.225 -14.230 1.00 0.00 C ATOM 321 O PRO A 24 -12.912 -13.989 -15.010 1.00 0.00 O ATOM 322 CB PRO A 24 -11.145 -11.093 -14.796 1.00 0.00 C ATOM 323 CG PRO A 24 -10.510 -10.660 -13.521 1.00 0.00 C ATOM 324 CD PRO A 24 -11.638 -10.252 -12.614 1.00 0.00 C ATOM 0 HA PRO A 24 -13.280 -11.569 -15.102 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.522 -11.815 -15.323 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -11.295 -10.249 -15.470 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -9.928 -11.470 -13.080 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.824 -9.829 -13.689 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -11.412 -10.467 -11.570 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -11.842 -9.184 -12.683 1.00 0.00 H new