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 173:sc= -5.23! USER MOD Set 1.2: A 13 CYS SG : rot -47:sc= -0.399 USER MOD Set 1.3: A 18 HIS :FLIP no HE2:sc= -7.94! C(o=-15!,f=-14!) USER MOD Set 1.4: A 23 CYS SG : rot -110:sc= -0.736 USER MOD Single : A 9 THR OG1 : rot 33:sc= 0.211 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 :FLIP amide:sc= -1.38! C(o=-2.2!,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 87 N THR A 9 -12.054 -4.827 -2.048 1.00 0.00 N ATOM 88 CA THR A 9 -11.325 -5.645 -3.009 1.00 0.00 C ATOM 89 C THR A 9 -12.090 -6.923 -3.336 1.00 0.00 C ATOM 90 O THR A 9 -12.866 -7.420 -2.519 1.00 0.00 O ATOM 91 CB THR A 9 -9.927 -6.018 -2.483 1.00 0.00 C ATOM 92 OG1 THR A 9 -9.273 -4.855 -1.963 1.00 0.00 O ATOM 93 CG2 THR A 9 -9.079 -6.632 -3.587 1.00 0.00 C ATOM 0 HA THR A 9 -11.217 -5.048 -3.914 1.00 0.00 H new ATOM 0 HB THR A 9 -10.047 -6.753 -1.687 1.00 0.00 H new ATOM 0 HG1 THR A 9 -9.940 -4.252 -1.573 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.096 -6.887 -3.191 1.00 0.00 H new ATOM 0 HG22 THR A 9 -9.565 -7.533 -3.961 1.00 0.00 H new ATOM 0 HG23 THR A 9 -8.968 -5.916 -4.401 1.00 0.00 H new ATOM 101 N CYS A 10 -11.867 -7.451 -4.535 1.00 0.00 N ATOM 102 CA CYS A 10 -12.535 -8.671 -4.970 1.00 0.00 C ATOM 103 C CYS A 10 -12.325 -9.796 -3.960 1.00 0.00 C ATOM 104 O CYS A 10 -11.211 -10.290 -3.788 1.00 0.00 O ATOM 105 CB CYS A 10 -12.015 -9.100 -6.343 1.00 0.00 C ATOM 106 SG CYS A 10 -12.589 -10.745 -6.876 1.00 0.00 S ATOM 0 H CYS A 10 -11.228 -7.052 -5.223 1.00 0.00 H new ATOM 0 HA CYS A 10 -13.603 -8.465 -5.041 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -12.324 -8.362 -7.083 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -10.925 -9.096 -6.324 1.00 0.00 H new ATOM 0 HG CYS A 10 -12.225 -10.954 -8.106 1.00 0.00 H new ATOM 111 N PHE A 11 -13.404 -10.195 -3.295 1.00 0.00 N ATOM 112 CA PHE A 11 -13.339 -11.261 -2.302 1.00 0.00 C ATOM 113 C PHE A 11 -13.148 -12.618 -2.972 1.00 0.00 C ATOM 114 O PHE A 11 -12.918 -13.626 -2.303 1.00 0.00 O ATOM 115 CB PHE A 11 -14.612 -11.274 -1.452 1.00 0.00 C ATOM 116 CG PHE A 11 -14.531 -12.190 -0.265 1.00 0.00 C ATOM 117 CD1 PHE A 11 -14.057 -11.729 0.952 1.00 0.00 C ATOM 118 CD2 PHE A 11 -14.929 -13.514 -0.367 1.00 0.00 C ATOM 119 CE1 PHE A 11 -13.981 -12.571 2.045 1.00 0.00 C ATOM 120 CE2 PHE A 11 -14.856 -14.360 0.723 1.00 0.00 C ATOM 121 CZ PHE A 11 -14.382 -13.888 1.931 1.00 0.00 C ATOM 0 H PHE A 11 -14.334 -9.796 -3.426 1.00 0.00 H new ATOM 0 HA PHE A 11 -12.481 -11.070 -1.657 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -14.818 -10.261 -1.106 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -15.453 -11.575 -2.076 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -13.743 -10.700 1.048 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -15.300 -13.889 -1.309 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -13.608 -12.200 2.988 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -15.169 -15.389 0.630 1.00 0.00 H new ATOM 0 HZ PHE A 11 -14.325 -14.547 2.785 1.00 0.00 H new ATOM 131 N ARG A 12 -13.244 -12.636 -4.298 1.00 0.00 N ATOM 132 CA ARG A 12 -13.084 -13.868 -5.059 1.00 0.00 C ATOM 133 C ARG A 12 -11.617 -14.284 -5.118 1.00 0.00 C ATOM 134 O ARG A 12 -11.252 -15.378 -4.687 1.00 0.00 O ATOM 135 CB ARG A 12 -13.633 -13.693 -6.476 1.00 0.00 C ATOM 136 CG ARG A 12 -14.067 -14.996 -7.127 1.00 0.00 C ATOM 137 CD ARG A 12 -14.878 -14.746 -8.389 1.00 0.00 C ATOM 138 NE ARG A 12 -15.666 -15.913 -8.774 1.00 0.00 N ATOM 139 CZ ARG A 12 -15.179 -16.928 -9.480 1.00 0.00 C ATOM 140 NH1 ARG A 12 -13.913 -16.918 -9.874 1.00 0.00 N ATOM 141 NH2 ARG A 12 -15.958 -17.956 -9.791 1.00 0.00 N ATOM 0 H ARG A 12 -13.432 -11.810 -4.867 1.00 0.00 H new ATOM 0 HA ARG A 12 -13.647 -14.653 -4.554 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -14.483 -13.011 -6.445 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -12.870 -13.223 -7.097 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -13.188 -15.593 -7.371 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -14.661 -15.577 -6.421 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -15.542 -13.897 -8.230 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -14.206 -14.477 -9.204 1.00 0.00 H new ATOM 0 HE ARG A 12 -16.644 -15.951 -8.485 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -13.311 -16.130 -9.635 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -13.541 -17.698 -10.416 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -16.932 -17.968 -9.488 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -15.583 -18.734 -10.333 1.00 0.00 H new ATOM 155 N CYS A 13 -10.779 -13.404 -5.657 1.00 0.00 N ATOM 156 CA CYS A 13 -9.352 -13.678 -5.774 1.00 0.00 C ATOM 157 C CYS A 13 -8.543 -12.745 -4.878 1.00 0.00 C ATOM 158 O CYS A 13 -7.450 -13.089 -4.431 1.00 0.00 O ATOM 159 CB CYS A 13 -8.900 -13.526 -7.228 1.00 0.00 C ATOM 160 SG CYS A 13 -9.043 -11.829 -7.877 1.00 0.00 S ATOM 0 H CYS A 13 -11.064 -12.494 -6.020 1.00 0.00 H new ATOM 0 HA CYS A 13 -9.177 -14.704 -5.451 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -7.862 -13.849 -7.310 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -9.492 -14.194 -7.853 1.00 0.00 H new ATOM 0 HG CYS A 13 -10.212 -11.346 -7.576 1.00 0.00 H new ATOM 165 N GLY A 14 -9.090 -11.560 -4.620 1.00 0.00 N ATOM 166 CA GLY A 14 -8.406 -10.595 -3.779 1.00 0.00 C ATOM 167 C GLY A 14 -7.663 -9.548 -4.584 1.00 0.00 C ATOM 168 O GLY A 14 -6.562 -9.136 -4.216 1.00 0.00 O ATOM 0 H GLY A 14 -9.994 -11.252 -4.978 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -9.132 -10.103 -3.131 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.702 -11.117 -3.131 1.00 0.00 H new ATOM 172 N LYS A 15 -8.263 -9.116 -5.688 1.00 0.00 N ATOM 173 CA LYS A 15 -7.652 -8.110 -6.549 1.00 0.00 C ATOM 174 C LYS A 15 -8.450 -6.811 -6.519 1.00 0.00 C ATOM 175 O LYS A 15 -9.664 -6.795 -6.724 1.00 0.00 O ATOM 176 CB LYS A 15 -7.556 -8.629 -7.985 1.00 0.00 C ATOM 177 CG LYS A 15 -6.479 -9.683 -8.180 1.00 0.00 C ATOM 178 CD LYS A 15 -5.181 -9.068 -8.676 1.00 0.00 C ATOM 179 CE LYS A 15 -4.029 -10.058 -8.597 1.00 0.00 C ATOM 180 NZ LYS A 15 -3.825 -10.775 -9.886 1.00 0.00 N ATOM 0 H LYS A 15 -9.173 -9.447 -6.008 1.00 0.00 H new ATOM 0 HA LYS A 15 -6.649 -7.908 -6.174 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -8.519 -9.048 -8.276 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -7.358 -7.791 -8.653 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.301 -10.201 -7.238 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.825 -10.430 -8.894 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -5.306 -8.735 -9.706 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.945 -8.185 -8.082 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -3.115 -9.530 -8.326 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.226 -10.782 -7.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -3.031 -11.440 -9.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -4.689 -11.299 -10.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -3.612 -10.087 -10.636 1.00 0.00 H new ATOM 194 N PRO A 16 -7.755 -5.694 -6.259 1.00 0.00 N ATOM 195 CA PRO A 16 -8.378 -4.369 -6.199 1.00 0.00 C ATOM 196 C PRO A 16 -8.838 -3.881 -7.569 1.00 0.00 C ATOM 197 O PRO A 16 -8.467 -4.447 -8.596 1.00 0.00 O ATOM 198 CB PRO A 16 -7.259 -3.474 -5.660 1.00 0.00 C ATOM 199 CG PRO A 16 -5.999 -4.167 -6.051 1.00 0.00 C ATOM 200 CD PRO A 16 -6.305 -5.639 -6.005 1.00 0.00 C ATOM 0 HA PRO A 16 -9.276 -4.369 -5.582 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -7.310 -2.474 -6.090 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -7.329 -3.360 -4.578 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.681 -3.865 -7.049 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.187 -3.916 -5.368 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -5.744 -6.190 -6.760 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -6.050 -6.073 -5.038 1.00 0.00 H new ATOM 208 N GLY A 17 -9.648 -2.827 -7.576 1.00 0.00 N ATOM 209 CA GLY A 17 -10.144 -2.281 -8.825 1.00 0.00 C ATOM 210 C GLY A 17 -11.455 -2.910 -9.253 1.00 0.00 C ATOM 211 O GLY A 17 -12.363 -2.218 -9.715 1.00 0.00 O ATOM 0 H GLY A 17 -9.970 -2.342 -6.739 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -10.279 -1.205 -8.719 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -9.399 -2.434 -9.606 1.00 0.00 H new ATOM 215 N HIS A 18 -11.556 -4.227 -9.100 1.00 0.00 N ATOM 216 CA HIS A 18 -12.766 -4.950 -9.475 1.00 0.00 C ATOM 217 C HIS A 18 -13.347 -5.694 -8.276 1.00 0.00 C ATOM 218 O HIS A 18 -12.644 -5.971 -7.304 1.00 0.00 O ATOM 219 CB HIS A 18 -12.468 -5.934 -10.606 1.00 0.00 C ATOM 220 CG HIS A 18 -11.735 -7.160 -10.155 1.00 0.00 C ATOM 221 ND1 HIS A 18 -12.148 -8.217 -9.416 1.00 0.00 N flip ATOM 222 CD2 HIS A 18 -10.412 -7.402 -10.460 1.00 0.00 C flip ATOM 223 CE1 HIS A 18 -11.079 -9.069 -9.290 1.00 0.00 C flip ATOM 224 NE2 HIS A 18 -10.044 -8.554 -9.929 1.00 0.00 N flip ATOM 0 H HIS A 18 -10.815 -4.815 -8.719 1.00 0.00 H new ATOM 0 HA HIS A 18 -13.502 -4.224 -9.821 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -13.406 -6.233 -11.073 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -11.878 -5.428 -11.370 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -13.080 -8.355 -9.026 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -9.776 -6.751 -11.042 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -11.084 -10.007 -8.756 1.00 0.00 H new ATOM 232 N TYR A 19 -14.634 -6.014 -8.352 1.00 0.00 N ATOM 233 CA TYR A 19 -15.311 -6.723 -7.273 1.00 0.00 C ATOM 234 C TYR A 19 -15.520 -8.191 -7.632 1.00 0.00 C ATOM 235 O TYR A 19 -15.329 -8.593 -8.780 1.00 0.00 O ATOM 236 CB TYR A 19 -16.657 -6.064 -6.967 1.00 0.00 C ATOM 237 CG TYR A 19 -17.311 -5.434 -8.175 1.00 0.00 C ATOM 238 CD1 TYR A 19 -16.761 -4.310 -8.780 1.00 0.00 C ATOM 239 CD2 TYR A 19 -18.480 -5.960 -8.711 1.00 0.00 C ATOM 240 CE1 TYR A 19 -17.355 -3.730 -9.884 1.00 0.00 C ATOM 241 CE2 TYR A 19 -19.080 -5.387 -9.815 1.00 0.00 C ATOM 242 CZ TYR A 19 -18.514 -4.273 -10.398 1.00 0.00 C ATOM 243 OH TYR A 19 -19.110 -3.698 -11.498 1.00 0.00 O ATOM 0 H TYR A 19 -15.230 -5.793 -9.150 1.00 0.00 H new ATOM 0 HA TYR A 19 -14.679 -6.671 -6.386 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -17.331 -6.811 -6.548 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -16.513 -5.300 -6.203 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -15.853 -3.883 -8.380 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -18.927 -6.832 -8.257 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -16.915 -2.857 -10.342 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -19.988 -5.809 -10.220 1.00 0.00 H new ATOM 0 HH TYR A 19 -19.917 -4.202 -11.734 1.00 0.00 H new ATOM 253 N ILE A 20 -15.912 -8.985 -6.642 1.00 0.00 N ATOM 254 CA ILE A 20 -16.149 -10.408 -6.853 1.00 0.00 C ATOM 255 C ILE A 20 -17.161 -10.637 -7.971 1.00 0.00 C ATOM 256 O ILE A 20 -17.064 -11.608 -8.722 1.00 0.00 O ATOM 257 CB ILE A 20 -16.657 -11.090 -5.569 1.00 0.00 C ATOM 258 CG1 ILE A 20 -17.049 -12.541 -5.858 1.00 0.00 C ATOM 259 CG2 ILE A 20 -17.836 -10.322 -4.991 1.00 0.00 C ATOM 260 CD1 ILE A 20 -16.842 -13.469 -4.681 1.00 0.00 C ATOM 0 H ILE A 20 -16.072 -8.668 -5.686 1.00 0.00 H new ATOM 0 HA ILE A 20 -15.193 -10.849 -7.135 1.00 0.00 H new ATOM 0 HB ILE A 20 -15.853 -11.090 -4.833 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -18.097 -12.573 -6.156 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -16.466 -12.905 -6.704 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -18.183 -10.817 -4.084 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -17.526 -9.304 -4.753 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -18.645 -10.294 -5.721 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -17.141 -14.480 -4.958 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -15.790 -13.466 -4.396 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -17.446 -13.130 -3.840 1.00 0.00 H new ATOM 272 N LYS A 21 -18.130 -9.735 -8.078 1.00 0.00 N ATOM 273 CA LYS A 21 -19.159 -9.835 -9.107 1.00 0.00 C ATOM 274 C LYS A 21 -18.601 -9.453 -10.474 1.00 0.00 C ATOM 275 O LYS A 21 -19.052 -9.957 -11.501 1.00 0.00 O ATOM 276 CB LYS A 21 -20.346 -8.934 -8.759 1.00 0.00 C ATOM 277 CG LYS A 21 -20.529 -8.717 -7.267 1.00 0.00 C ATOM 278 CD LYS A 21 -21.884 -8.104 -6.955 1.00 0.00 C ATOM 279 CE LYS A 21 -21.973 -6.668 -7.449 1.00 0.00 C ATOM 280 NZ LYS A 21 -23.013 -5.893 -6.718 1.00 0.00 N ATOM 0 H LYS A 21 -18.225 -8.926 -7.465 1.00 0.00 H new ATOM 0 HA LYS A 21 -19.496 -10.871 -9.149 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -20.212 -7.967 -9.244 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -21.256 -9.372 -9.168 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -20.430 -9.669 -6.745 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -19.739 -8.065 -6.894 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -22.670 -8.699 -7.420 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -22.058 -8.131 -5.879 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -21.005 -6.182 -7.327 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -22.200 -6.664 -8.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -23.042 -4.920 -7.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -23.941 -6.342 -6.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -22.783 -5.875 -5.704 1.00 0.00 H new ATOM 294 N ASN A 22 -17.615 -8.562 -10.478 1.00 0.00 N ATOM 295 CA ASN A 22 -16.994 -8.114 -11.719 1.00 0.00 C ATOM 296 C ASN A 22 -15.593 -8.699 -11.868 1.00 0.00 C ATOM 297 O ASN A 22 -14.787 -8.213 -12.662 1.00 0.00 O ATOM 298 CB ASN A 22 -16.928 -6.586 -11.758 1.00 0.00 C ATOM 299 CG ASN A 22 -16.149 -6.072 -12.953 1.00 0.00 C ATOM 300 OD1 ASN A 22 -15.071 -5.344 -12.688 1.00 0.00 O flip ATOM 301 ND2 ASN A 22 -16.513 -6.326 -14.102 1.00 0.00 N flip ATOM 0 H ASN A 22 -17.229 -8.136 -9.636 1.00 0.00 H new ATOM 0 HA ASN A 22 -17.606 -8.466 -12.550 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -17.940 -6.182 -11.786 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -16.464 -6.221 -10.841 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -17.348 -6.890 -14.259 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -15.979 -5.973 -14.896 1.00 0.00 H new ATOM 308 N CYS A 23 -15.310 -9.746 -11.101 1.00 0.00 N ATOM 309 CA CYS A 23 -14.007 -10.398 -11.146 1.00 0.00 C ATOM 310 C CYS A 23 -13.785 -11.076 -12.495 1.00 0.00 C ATOM 311 O CYS A 23 -14.670 -11.738 -13.039 1.00 0.00 O ATOM 312 CB CYS A 23 -13.888 -11.427 -10.020 1.00 0.00 C ATOM 313 SG CYS A 23 -12.326 -12.364 -10.030 1.00 0.00 S ATOM 0 H CYS A 23 -15.966 -10.162 -10.440 1.00 0.00 H new ATOM 0 HA CYS A 23 -13.241 -9.634 -11.012 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -13.986 -10.915 -9.063 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -14.720 -12.128 -10.093 1.00 0.00 H new ATOM 0 HG CYS A 23 -12.562 -13.597 -10.368 1.00 0.00 H new ATOM 318 N PRO A 24 -12.575 -10.910 -13.050 1.00 0.00 N ATOM 319 CA PRO A 24 -12.208 -11.498 -14.341 1.00 0.00 C ATOM 320 C PRO A 24 -12.074 -13.016 -14.269 1.00 0.00 C ATOM 321 O PRO A 24 -12.436 -13.727 -15.208 1.00 0.00 O ATOM 322 CB PRO A 24 -10.854 -10.856 -14.651 1.00 0.00 C ATOM 323 CG PRO A 24 -10.293 -10.492 -13.320 1.00 0.00 C ATOM 324 CD PRO A 24 -11.472 -10.134 -12.458 1.00 0.00 C ATOM 0 HA PRO A 24 -12.966 -11.315 -15.103 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.200 -11.549 -15.180 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -10.969 -9.977 -15.286 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -9.734 -11.324 -12.891 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.602 -9.653 -13.404 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -11.305 -10.405 -11.415 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -11.676 -9.064 -12.481 1.00 0.00 H new