USER MOD reduce.3.24.130724 H: found=0, std=0, add=123, rem=0, adj=7 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= -2.2 USER MOD Set 1.2: A 13 CYS SG : rot -49:sc= -0.214 USER MOD Set 1.3: A 18 HIS : no HE2:sc= -3.32! K(o=-6.8!,f=-7.9) USER MOD Set 1.4: A 23 CYS SG : rot 66:sc= -1.09 USER MOD Single : A 9 THR OG1 : rot 26:sc= 0.233 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+ -123:sc=-0.00445 (180deg=-0.0217) USER MOD Single : A 22 ASN : amide:sc= -2.11! C(o=-2.1!,f=-1.3!) USER MOD ----------------------------------------------------------------- ATOM 87 N THR A 9 -12.313 -4.825 -1.867 1.00 0.00 N ATOM 88 CA THR A 9 -11.520 -5.583 -2.827 1.00 0.00 C ATOM 89 C THR A 9 -12.215 -6.885 -3.208 1.00 0.00 C ATOM 90 O THR A 9 -12.990 -7.439 -2.427 1.00 0.00 O ATOM 91 CB THR A 9 -10.121 -5.905 -2.270 1.00 0.00 C ATOM 92 OG1 THR A 9 -9.537 -4.727 -1.701 1.00 0.00 O ATOM 93 CG2 THR A 9 -9.214 -6.448 -3.364 1.00 0.00 C ATOM 0 HA THR A 9 -11.415 -4.958 -3.714 1.00 0.00 H new ATOM 0 HB THR A 9 -10.229 -6.667 -1.498 1.00 0.00 H new ATOM 0 HG1 THR A 9 -10.247 -4.115 -1.416 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.232 -6.668 -2.946 1.00 0.00 H new ATOM 0 HG22 THR A 9 -9.646 -7.360 -3.775 1.00 0.00 H new ATOM 0 HG23 THR A 9 -9.114 -5.705 -4.155 1.00 0.00 H new ATOM 101 N CYS A 10 -11.933 -7.371 -4.412 1.00 0.00 N ATOM 102 CA CYS A 10 -12.531 -8.609 -4.897 1.00 0.00 C ATOM 103 C CYS A 10 -12.316 -9.744 -3.900 1.00 0.00 C ATOM 104 O CYS A 10 -11.190 -10.195 -3.690 1.00 0.00 O ATOM 105 CB CYS A 10 -11.936 -8.989 -6.255 1.00 0.00 C ATOM 106 SG CYS A 10 -12.606 -10.532 -6.954 1.00 0.00 S ATOM 0 H CYS A 10 -11.293 -6.926 -5.070 1.00 0.00 H new ATOM 0 HA CYS A 10 -13.603 -8.446 -5.010 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -12.115 -8.176 -6.959 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -10.856 -9.089 -6.151 1.00 0.00 H new ATOM 0 HG CYS A 10 -12.173 -10.681 -8.171 1.00 0.00 H new ATOM 111 N PHE A 11 -13.403 -10.200 -3.288 1.00 0.00 N ATOM 112 CA PHE A 11 -13.335 -11.281 -2.312 1.00 0.00 C ATOM 113 C PHE A 11 -13.191 -12.632 -3.007 1.00 0.00 C ATOM 114 O PHE A 11 -13.213 -13.680 -2.361 1.00 0.00 O ATOM 115 CB PHE A 11 -14.584 -11.280 -1.429 1.00 0.00 C ATOM 116 CG PHE A 11 -14.452 -12.138 -0.203 1.00 0.00 C ATOM 117 CD1 PHE A 11 -13.549 -11.810 0.795 1.00 0.00 C ATOM 118 CD2 PHE A 11 -15.232 -13.272 -0.048 1.00 0.00 C ATOM 119 CE1 PHE A 11 -13.425 -12.598 1.923 1.00 0.00 C ATOM 120 CE2 PHE A 11 -15.114 -14.064 1.078 1.00 0.00 C ATOM 121 CZ PHE A 11 -14.210 -13.726 2.066 1.00 0.00 C ATOM 0 H PHE A 11 -14.342 -9.838 -3.451 1.00 0.00 H new ATOM 0 HA PHE A 11 -12.457 -11.118 -1.687 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -14.803 -10.257 -1.125 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -15.434 -11.627 -2.016 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -12.935 -10.928 0.690 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -15.941 -13.541 -0.817 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -12.715 -12.333 2.692 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -15.728 -14.946 1.185 1.00 0.00 H new ATOM 0 HZ PHE A 11 -14.117 -14.342 2.948 1.00 0.00 H new ATOM 131 N ARG A 12 -13.044 -12.599 -4.327 1.00 0.00 N ATOM 132 CA ARG A 12 -12.899 -13.820 -5.111 1.00 0.00 C ATOM 133 C ARG A 12 -11.431 -14.222 -5.224 1.00 0.00 C ATOM 134 O ARG A 12 -11.028 -15.283 -4.748 1.00 0.00 O ATOM 135 CB ARG A 12 -13.496 -13.631 -6.506 1.00 0.00 C ATOM 136 CG ARG A 12 -13.856 -14.936 -7.197 1.00 0.00 C ATOM 137 CD ARG A 12 -14.569 -14.689 -8.517 1.00 0.00 C ATOM 138 NE ARG A 12 -15.247 -15.886 -9.006 1.00 0.00 N ATOM 139 CZ ARG A 12 -16.488 -16.218 -8.668 1.00 0.00 C ATOM 140 NH1 ARG A 12 -17.183 -15.446 -7.844 1.00 0.00 N ATOM 141 NH2 ARG A 12 -17.036 -17.324 -9.154 1.00 0.00 N ATOM 0 H ARG A 12 -13.022 -11.740 -4.877 1.00 0.00 H new ATOM 0 HA ARG A 12 -13.438 -14.617 -4.598 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -14.390 -13.012 -6.428 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -12.784 -13.086 -7.126 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -12.951 -15.517 -7.374 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -14.494 -15.531 -6.543 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -15.296 -13.887 -8.392 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -13.847 -14.352 -9.261 1.00 0.00 H new ATOM 0 HE ARG A 12 -14.740 -16.501 -9.642 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -16.765 -14.595 -7.468 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -18.136 -15.703 -7.586 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -16.504 -17.921 -9.788 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -17.989 -17.578 -8.894 1.00 0.00 H new ATOM 155 N CYS A 13 -10.637 -13.366 -5.859 1.00 0.00 N ATOM 156 CA CYS A 13 -9.214 -13.631 -6.037 1.00 0.00 C ATOM 157 C CYS A 13 -8.382 -12.819 -5.048 1.00 0.00 C ATOM 158 O CYS A 13 -7.314 -13.252 -4.618 1.00 0.00 O ATOM 159 CB CYS A 13 -8.788 -13.302 -7.469 1.00 0.00 C ATOM 160 SG CYS A 13 -8.961 -11.543 -7.912 1.00 0.00 S ATOM 0 H CYS A 13 -10.955 -12.483 -6.259 1.00 0.00 H new ATOM 0 HA CYS A 13 -9.040 -14.690 -5.848 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -7.748 -13.599 -7.604 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -9.383 -13.900 -8.160 1.00 0.00 H new ATOM 0 HG CYS A 13 -10.147 -11.126 -7.580 1.00 0.00 H new ATOM 165 N GLY A 14 -8.881 -11.639 -4.693 1.00 0.00 N ATOM 166 CA GLY A 14 -8.171 -10.786 -3.757 1.00 0.00 C ATOM 167 C GLY A 14 -7.418 -9.667 -4.450 1.00 0.00 C ATOM 168 O GLY A 14 -6.296 -9.334 -4.069 1.00 0.00 O ATOM 0 H GLY A 14 -9.763 -11.259 -5.036 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -8.881 -10.358 -3.049 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.470 -11.389 -3.180 1.00 0.00 H new ATOM 172 N LYS A 15 -8.036 -9.084 -5.472 1.00 0.00 N ATOM 173 CA LYS A 15 -7.418 -7.996 -6.221 1.00 0.00 C ATOM 174 C LYS A 15 -8.360 -6.800 -6.318 1.00 0.00 C ATOM 175 O LYS A 15 -9.543 -6.935 -6.628 1.00 0.00 O ATOM 176 CB LYS A 15 -7.032 -8.470 -7.624 1.00 0.00 C ATOM 177 CG LYS A 15 -5.870 -9.448 -7.637 1.00 0.00 C ATOM 178 CD LYS A 15 -4.537 -8.729 -7.761 1.00 0.00 C ATOM 179 CE LYS A 15 -4.139 -8.541 -9.216 1.00 0.00 C ATOM 180 NZ LYS A 15 -2.747 -8.026 -9.349 1.00 0.00 N ATOM 0 H LYS A 15 -8.965 -9.347 -5.801 1.00 0.00 H new ATOM 0 HA LYS A 15 -6.519 -7.686 -5.689 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.897 -8.941 -8.090 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.774 -7.604 -8.233 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.881 -10.040 -6.722 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.988 -10.143 -8.468 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.600 -7.757 -7.271 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.766 -9.298 -7.242 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.226 -9.492 -9.742 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.830 -7.847 -9.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.514 -7.911 -10.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.670 -7.107 -8.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.085 -8.700 -8.915 1.00 0.00 H new ATOM 194 N PRO A 16 -7.823 -5.600 -6.049 1.00 0.00 N ATOM 195 CA PRO A 16 -8.597 -4.357 -6.102 1.00 0.00 C ATOM 196 C PRO A 16 -8.983 -3.974 -7.527 1.00 0.00 C ATOM 197 O PRO A 16 -8.688 -4.700 -8.476 1.00 0.00 O ATOM 198 CB PRO A 16 -7.642 -3.318 -5.509 1.00 0.00 C ATOM 199 CG PRO A 16 -6.281 -3.871 -5.757 1.00 0.00 C ATOM 200 CD PRO A 16 -6.419 -5.366 -5.673 1.00 0.00 C ATOM 0 HA PRO A 16 -9.542 -4.443 -5.565 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -7.768 -2.346 -5.987 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -7.824 -3.176 -4.444 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.909 -3.568 -6.736 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.570 -3.503 -5.018 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -5.732 -5.872 -6.351 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -6.205 -5.734 -4.669 1.00 0.00 H new ATOM 208 N GLY A 17 -9.642 -2.829 -7.670 1.00 0.00 N ATOM 209 CA GLY A 17 -10.057 -2.369 -8.982 1.00 0.00 C ATOM 210 C GLY A 17 -11.394 -2.946 -9.403 1.00 0.00 C ATOM 211 O GLY A 17 -12.202 -2.263 -10.032 1.00 0.00 O ATOM 0 H GLY A 17 -9.896 -2.211 -6.900 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -10.119 -1.281 -8.979 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -9.299 -2.643 -9.716 1.00 0.00 H new ATOM 215 N HIS A 18 -11.628 -4.208 -9.057 1.00 0.00 N ATOM 216 CA HIS A 18 -12.877 -4.877 -9.403 1.00 0.00 C ATOM 217 C HIS A 18 -13.474 -5.578 -8.187 1.00 0.00 C ATOM 218 O HIS A 18 -12.850 -5.642 -7.127 1.00 0.00 O ATOM 219 CB HIS A 18 -12.644 -5.888 -10.526 1.00 0.00 C ATOM 220 CG HIS A 18 -11.806 -7.059 -10.113 1.00 0.00 C ATOM 221 ND1 HIS A 18 -10.430 -7.066 -10.195 1.00 0.00 N ATOM 222 CD2 HIS A 18 -12.158 -8.265 -9.610 1.00 0.00 C ATOM 223 CE1 HIS A 18 -9.971 -8.227 -9.762 1.00 0.00 C ATOM 224 NE2 HIS A 18 -10.999 -8.973 -9.401 1.00 0.00 N ATOM 0 H HIS A 18 -10.969 -4.788 -8.537 1.00 0.00 H new ATOM 0 HA HIS A 18 -13.583 -4.120 -9.746 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -13.608 -6.250 -10.884 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -12.162 -5.384 -11.363 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -9.856 -6.295 -10.537 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -13.163 -8.607 -9.410 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -8.932 -8.517 -9.712 1.00 0.00 H new ATOM 232 N TYR A 19 -14.685 -6.100 -8.346 1.00 0.00 N ATOM 233 CA TYR A 19 -15.367 -6.793 -7.260 1.00 0.00 C ATOM 234 C TYR A 19 -15.594 -8.261 -7.608 1.00 0.00 C ATOM 235 O TYR A 19 -15.428 -8.671 -8.757 1.00 0.00 O ATOM 236 CB TYR A 19 -16.705 -6.117 -6.956 1.00 0.00 C ATOM 237 CG TYR A 19 -17.314 -5.416 -8.150 1.00 0.00 C ATOM 238 CD1 TYR A 19 -16.630 -4.401 -8.807 1.00 0.00 C ATOM 239 CD2 TYR A 19 -18.573 -5.768 -8.619 1.00 0.00 C ATOM 240 CE1 TYR A 19 -17.183 -3.757 -9.897 1.00 0.00 C ATOM 241 CE2 TYR A 19 -19.133 -5.131 -9.710 1.00 0.00 C ATOM 242 CZ TYR A 19 -18.434 -4.126 -10.345 1.00 0.00 C ATOM 243 OH TYR A 19 -18.989 -3.488 -11.431 1.00 0.00 O ATOM 0 H TYR A 19 -15.215 -6.056 -9.217 1.00 0.00 H new ATOM 0 HA TYR A 19 -14.732 -6.742 -6.375 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -17.406 -6.866 -6.589 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -16.563 -5.393 -6.154 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -15.649 -4.110 -8.460 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -19.124 -6.553 -8.122 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -16.638 -2.969 -10.396 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -20.112 -5.419 -10.063 1.00 0.00 H new ATOM 0 HH TYR A 19 -19.873 -3.868 -11.617 1.00 0.00 H new ATOM 253 N ILE A 20 -15.975 -9.048 -6.607 1.00 0.00 N ATOM 254 CA ILE A 20 -16.227 -10.469 -6.807 1.00 0.00 C ATOM 255 C ILE A 20 -17.325 -10.693 -7.842 1.00 0.00 C ATOM 256 O ILE A 20 -17.560 -11.820 -8.280 1.00 0.00 O ATOM 257 CB ILE A 20 -16.629 -11.160 -5.490 1.00 0.00 C ATOM 258 CG1 ILE A 20 -16.990 -12.624 -5.747 1.00 0.00 C ATOM 259 CG2 ILE A 20 -17.795 -10.427 -4.843 1.00 0.00 C ATOM 260 CD1 ILE A 20 -16.799 -13.515 -4.539 1.00 0.00 C ATOM 0 H ILE A 20 -16.116 -8.725 -5.650 1.00 0.00 H new ATOM 0 HA ILE A 20 -15.296 -10.907 -7.168 1.00 0.00 H new ATOM 0 HB ILE A 20 -15.781 -11.129 -4.806 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -18.029 -12.682 -6.070 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -16.379 -13.002 -6.567 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -18.068 -10.927 -3.913 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -17.505 -9.398 -4.630 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -18.648 -10.431 -5.521 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -17.074 -14.538 -4.794 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -15.755 -13.487 -4.228 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -17.430 -13.162 -3.723 1.00 0.00 H new ATOM 272 N LYS A 21 -17.993 -9.613 -8.230 1.00 0.00 N ATOM 273 CA LYS A 21 -19.065 -9.689 -9.216 1.00 0.00 C ATOM 274 C LYS A 21 -18.538 -9.392 -10.616 1.00 0.00 C ATOM 275 O LYS A 21 -19.024 -9.944 -11.602 1.00 0.00 O ATOM 276 CB LYS A 21 -20.183 -8.706 -8.861 1.00 0.00 C ATOM 277 CG LYS A 21 -20.295 -8.423 -7.373 1.00 0.00 C ATOM 278 CD LYS A 21 -21.083 -9.507 -6.658 1.00 0.00 C ATOM 279 CE LYS A 21 -21.763 -8.969 -5.408 1.00 0.00 C ATOM 280 NZ LYS A 21 -20.776 -8.473 -4.409 1.00 0.00 N ATOM 0 H LYS A 21 -17.811 -8.674 -7.877 1.00 0.00 H new ATOM 0 HA LYS A 21 -19.464 -10.703 -9.205 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -20.011 -7.768 -9.389 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -21.132 -9.104 -9.219 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -19.298 -8.351 -6.939 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -20.780 -7.459 -7.220 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -21.833 -9.918 -7.333 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -20.415 -10.325 -6.387 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -22.440 -8.160 -5.683 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -22.371 -9.754 -4.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -20.913 -8.973 -3.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -19.812 -8.646 -4.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -20.913 -7.453 -4.263 1.00 0.00 H new ATOM 294 N ASN A 22 -17.539 -8.519 -10.695 1.00 0.00 N ATOM 295 CA ASN A 22 -16.945 -8.150 -11.975 1.00 0.00 C ATOM 296 C ASN A 22 -15.558 -8.766 -12.129 1.00 0.00 C ATOM 297 O ASN A 22 -14.791 -8.382 -13.012 1.00 0.00 O ATOM 298 CB ASN A 22 -16.856 -6.627 -12.099 1.00 0.00 C ATOM 299 CG ASN A 22 -16.012 -6.193 -13.282 1.00 0.00 C ATOM 300 OD1 ASN A 22 -16.344 -6.477 -14.433 1.00 0.00 O ATOM 301 ND2 ASN A 22 -14.915 -5.499 -13.003 1.00 0.00 N ATOM 0 H ASN A 22 -17.124 -8.054 -9.888 1.00 0.00 H new ATOM 0 HA ASN A 22 -17.584 -8.536 -12.769 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -17.860 -6.214 -12.201 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -16.433 -6.214 -11.183 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -14.309 -5.178 -13.758 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -14.679 -5.286 -12.034 1.00 0.00 H new ATOM 308 N CYS A 23 -15.244 -9.725 -11.265 1.00 0.00 N ATOM 309 CA CYS A 23 -13.950 -10.396 -11.303 1.00 0.00 C ATOM 310 C CYS A 23 -13.755 -11.124 -12.631 1.00 0.00 C ATOM 311 O CYS A 23 -14.647 -11.812 -13.127 1.00 0.00 O ATOM 312 CB CYS A 23 -13.831 -11.387 -10.144 1.00 0.00 C ATOM 313 SG CYS A 23 -12.221 -12.234 -10.051 1.00 0.00 S ATOM 0 H CYS A 23 -15.868 -10.055 -10.529 1.00 0.00 H new ATOM 0 HA CYS A 23 -13.172 -9.638 -11.205 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -14.005 -10.857 -9.208 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -14.618 -12.135 -10.238 1.00 0.00 H new ATOM 0 HG CYS A 23 -11.291 -11.369 -9.777 1.00 0.00 H new ATOM 318 N PRO A 24 -12.559 -10.969 -13.219 1.00 0.00 N ATOM 319 CA PRO A 24 -12.218 -11.604 -14.496 1.00 0.00 C ATOM 320 C PRO A 24 -12.069 -13.116 -14.370 1.00 0.00 C ATOM 321 O PRO A 24 -12.278 -13.854 -15.334 1.00 0.00 O ATOM 322 CB PRO A 24 -10.877 -10.963 -14.862 1.00 0.00 C ATOM 323 CG PRO A 24 -10.288 -10.545 -13.559 1.00 0.00 C ATOM 324 CD PRO A 24 -11.450 -10.163 -12.684 1.00 0.00 C ATOM 0 HA PRO A 24 -12.996 -11.457 -15.246 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.229 -11.670 -15.381 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -11.014 -10.110 -15.526 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -9.713 -11.356 -13.112 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.606 -9.705 -13.690 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -11.256 -10.392 -11.636 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -11.664 -9.096 -12.743 1.00 0.00 H new