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 176:sc= -2.47 USER MOD Set 1.2: A 13 CYS SG : rot -51:sc= -0.317 USER MOD Set 1.3: A 18 HIS : no HE2:sc= -4.38! X(o=-9.2!,f=-9.6) USER MOD Set 1.4: A 23 CYS SG : rot -108:sc= -2.01 USER MOD Single : A 9 THR OG1 : rot 30:sc= 0.245 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= -1.93! C(o=-2.8!,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 87 N THR A 9 -12.154 -4.675 -1.915 1.00 0.00 N ATOM 88 CA THR A 9 -11.396 -5.482 -2.863 1.00 0.00 C ATOM 89 C THR A 9 -12.131 -6.775 -3.195 1.00 0.00 C ATOM 90 O THR A 9 -12.879 -7.305 -2.372 1.00 0.00 O ATOM 91 CB THR A 9 -9.997 -5.825 -2.316 1.00 0.00 C ATOM 92 OG1 THR A 9 -9.381 -4.651 -1.776 1.00 0.00 O ATOM 93 CG2 THR A 9 -9.117 -6.409 -3.411 1.00 0.00 C ATOM 0 HA THR A 9 -11.287 -4.886 -3.769 1.00 0.00 H new ATOM 0 HB THR A 9 -10.111 -6.569 -1.528 1.00 0.00 H new ATOM 0 HG1 THR A 9 -10.073 -4.044 -1.440 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.134 -6.643 -3.002 1.00 0.00 H new ATOM 0 HG22 THR A 9 -9.575 -7.319 -3.799 1.00 0.00 H new ATOM 0 HG23 THR A 9 -9.010 -5.684 -4.218 1.00 0.00 H new ATOM 101 N CYS A 10 -11.913 -7.281 -4.404 1.00 0.00 N ATOM 102 CA CYS A 10 -12.554 -8.513 -4.845 1.00 0.00 C ATOM 103 C CYS A 10 -12.322 -9.638 -3.840 1.00 0.00 C ATOM 104 O CYS A 10 -11.190 -10.075 -3.633 1.00 0.00 O ATOM 105 CB CYS A 10 -12.023 -8.925 -6.220 1.00 0.00 C ATOM 106 SG CYS A 10 -12.685 -10.510 -6.828 1.00 0.00 S ATOM 0 H CYS A 10 -11.296 -6.856 -5.096 1.00 0.00 H new ATOM 0 HA CYS A 10 -13.626 -8.329 -4.917 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -12.264 -8.143 -6.940 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -10.936 -8.991 -6.173 1.00 0.00 H new ATOM 0 HG CYS A 10 -12.250 -10.728 -8.033 1.00 0.00 H new ATOM 111 N PHE A 11 -13.401 -10.101 -3.218 1.00 0.00 N ATOM 112 CA PHE A 11 -13.315 -11.173 -2.234 1.00 0.00 C ATOM 113 C PHE A 11 -13.141 -12.526 -2.918 1.00 0.00 C ATOM 114 O PHE A 11 -12.972 -13.551 -2.257 1.00 0.00 O ATOM 115 CB PHE A 11 -14.568 -11.191 -1.357 1.00 0.00 C ATOM 116 CG PHE A 11 -14.473 -12.137 -0.194 1.00 0.00 C ATOM 117 CD1 PHE A 11 -13.587 -11.894 0.843 1.00 0.00 C ATOM 118 CD2 PHE A 11 -15.270 -13.269 -0.139 1.00 0.00 C ATOM 119 CE1 PHE A 11 -13.497 -12.764 1.913 1.00 0.00 C ATOM 120 CE2 PHE A 11 -15.185 -14.142 0.929 1.00 0.00 C ATOM 121 CZ PHE A 11 -14.298 -13.888 1.957 1.00 0.00 C ATOM 0 H PHE A 11 -14.345 -9.750 -3.378 1.00 0.00 H new ATOM 0 HA PHE A 11 -12.443 -10.987 -1.607 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -14.754 -10.185 -0.982 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -15.426 -11.466 -1.970 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -12.960 -11.015 0.815 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -15.966 -13.471 -0.940 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -12.801 -12.565 2.714 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -15.811 -15.021 0.960 1.00 0.00 H new ATOM 0 HZ PHE A 11 -14.231 -14.567 2.794 1.00 0.00 H new ATOM 131 N ARG A 12 -13.185 -12.521 -4.247 1.00 0.00 N ATOM 132 CA ARG A 12 -13.034 -13.747 -5.021 1.00 0.00 C ATOM 133 C ARG A 12 -11.565 -14.151 -5.119 1.00 0.00 C ATOM 134 O ARG A 12 -11.153 -15.171 -4.566 1.00 0.00 O ATOM 135 CB ARG A 12 -13.618 -13.565 -6.423 1.00 0.00 C ATOM 136 CG ARG A 12 -14.029 -14.870 -7.085 1.00 0.00 C ATOM 137 CD ARG A 12 -14.805 -14.623 -8.369 1.00 0.00 C ATOM 138 NE ARG A 12 -15.093 -15.864 -9.082 1.00 0.00 N ATOM 139 CZ ARG A 12 -15.943 -16.785 -8.641 1.00 0.00 C ATOM 140 NH1 ARG A 12 -16.586 -16.604 -7.496 1.00 0.00 N ATOM 141 NH2 ARG A 12 -16.153 -17.889 -9.347 1.00 0.00 N ATOM 0 H ARG A 12 -13.324 -11.682 -4.809 1.00 0.00 H new ATOM 0 HA ARG A 12 -13.578 -14.540 -4.508 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -14.486 -12.908 -6.364 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -12.882 -13.064 -7.052 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -13.141 -15.464 -7.304 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -14.640 -15.452 -6.395 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -15.740 -14.114 -8.135 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -14.233 -13.958 -9.016 1.00 0.00 H new ATOM 0 HE ARG A 12 -14.615 -16.033 -9.967 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -16.429 -15.756 -6.951 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -17.238 -17.313 -7.160 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -15.662 -18.031 -10.229 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -16.806 -18.595 -9.007 1.00 0.00 H new ATOM 155 N CYS A 13 -10.781 -13.344 -5.826 1.00 0.00 N ATOM 156 CA CYS A 13 -9.359 -13.617 -5.998 1.00 0.00 C ATOM 157 C CYS A 13 -8.527 -12.810 -5.006 1.00 0.00 C ATOM 158 O CYS A 13 -7.478 -13.261 -4.548 1.00 0.00 O ATOM 159 CB CYS A 13 -8.926 -13.291 -7.428 1.00 0.00 C ATOM 160 SG CYS A 13 -9.061 -11.527 -7.863 1.00 0.00 S ATOM 0 H CYS A 13 -11.106 -12.495 -6.289 1.00 0.00 H new ATOM 0 HA CYS A 13 -9.192 -14.677 -5.808 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -7.893 -13.610 -7.565 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -9.533 -13.873 -8.122 1.00 0.00 H new ATOM 0 HG CYS A 13 -10.247 -11.093 -7.554 1.00 0.00 H new ATOM 165 N GLY A 14 -9.003 -11.612 -4.679 1.00 0.00 N ATOM 166 CA GLY A 14 -8.291 -10.761 -3.743 1.00 0.00 C ATOM 167 C GLY A 14 -7.502 -9.670 -4.438 1.00 0.00 C ATOM 168 O GLY A 14 -6.374 -9.364 -4.049 1.00 0.00 O ATOM 0 H GLY A 14 -9.869 -11.216 -5.045 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -9.004 -10.307 -3.054 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.614 -11.371 -3.145 1.00 0.00 H new ATOM 172 N LYS A 15 -8.093 -9.080 -5.472 1.00 0.00 N ATOM 173 CA LYS A 15 -7.439 -8.016 -6.224 1.00 0.00 C ATOM 174 C LYS A 15 -8.345 -6.795 -6.339 1.00 0.00 C ATOM 175 O LYS A 15 -9.538 -6.902 -6.624 1.00 0.00 O ATOM 176 CB LYS A 15 -7.054 -8.513 -7.619 1.00 0.00 C ATOM 177 CG LYS A 15 -5.898 -9.498 -7.617 1.00 0.00 C ATOM 178 CD LYS A 15 -4.562 -8.792 -7.770 1.00 0.00 C ATOM 179 CE LYS A 15 -4.179 -8.635 -9.234 1.00 0.00 C ATOM 180 NZ LYS A 15 -2.734 -8.317 -9.398 1.00 0.00 N ATOM 0 H LYS A 15 -9.025 -9.321 -5.808 1.00 0.00 H new ATOM 0 HA LYS A 15 -6.536 -7.726 -5.686 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.922 -8.985 -8.079 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.790 -7.657 -8.240 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.905 -10.067 -6.687 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.027 -10.213 -8.429 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.612 -7.810 -7.299 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.789 -9.357 -7.249 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.412 -9.555 -9.771 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.778 -7.843 -9.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.513 -8.218 -10.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.517 -7.426 -8.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.161 -9.084 -8.992 1.00 0.00 H new ATOM 194 N PRO A 16 -7.768 -5.605 -6.116 1.00 0.00 N ATOM 195 CA PRO A 16 -8.505 -4.340 -6.191 1.00 0.00 C ATOM 196 C PRO A 16 -8.906 -3.987 -7.619 1.00 0.00 C ATOM 197 O PRO A 16 -8.649 -4.747 -8.552 1.00 0.00 O ATOM 198 CB PRO A 16 -7.508 -3.315 -5.646 1.00 0.00 C ATOM 199 CG PRO A 16 -6.169 -3.916 -5.903 1.00 0.00 C ATOM 200 CD PRO A 16 -6.350 -5.403 -5.772 1.00 0.00 C ATOM 0 HA PRO A 16 -9.442 -4.380 -5.635 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -7.614 -2.354 -6.149 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -7.665 -3.137 -4.582 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.808 -3.653 -6.897 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.433 -3.548 -5.189 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -5.691 -5.949 -6.447 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -6.128 -5.747 -4.762 1.00 0.00 H new ATOM 208 N GLY A 17 -9.537 -2.829 -7.783 1.00 0.00 N ATOM 209 CA GLY A 17 -9.962 -2.395 -9.101 1.00 0.00 C ATOM 210 C GLY A 17 -11.304 -2.978 -9.498 1.00 0.00 C ATOM 211 O GLY A 17 -12.100 -2.321 -10.170 1.00 0.00 O ATOM 0 H GLY A 17 -9.762 -2.183 -7.026 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -10.022 -1.307 -9.120 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -9.211 -2.686 -9.836 1.00 0.00 H new ATOM 215 N HIS A 18 -11.557 -4.215 -9.083 1.00 0.00 N ATOM 216 CA HIS A 18 -12.812 -4.887 -9.400 1.00 0.00 C ATOM 217 C HIS A 18 -13.389 -5.571 -8.165 1.00 0.00 C ATOM 218 O HIS A 18 -12.743 -5.635 -7.119 1.00 0.00 O ATOM 219 CB HIS A 18 -12.598 -5.913 -10.514 1.00 0.00 C ATOM 220 CG HIS A 18 -11.793 -7.101 -10.087 1.00 0.00 C ATOM 221 ND1 HIS A 18 -10.419 -7.158 -10.197 1.00 0.00 N ATOM 222 CD2 HIS A 18 -12.174 -8.281 -9.544 1.00 0.00 C ATOM 223 CE1 HIS A 18 -9.991 -8.323 -9.743 1.00 0.00 C ATOM 224 NE2 HIS A 18 -11.037 -9.022 -9.341 1.00 0.00 N ATOM 0 H HIS A 18 -10.909 -4.773 -8.526 1.00 0.00 H new ATOM 0 HA HIS A 18 -13.523 -4.135 -9.741 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -13.569 -6.253 -10.875 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -12.098 -5.428 -11.352 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -9.826 -6.417 -10.570 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -13.185 -8.583 -9.313 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -8.962 -8.648 -9.707 1.00 0.00 H new ATOM 232 N TYR A 19 -14.609 -6.082 -8.293 1.00 0.00 N ATOM 233 CA TYR A 19 -15.274 -6.759 -7.187 1.00 0.00 C ATOM 234 C TYR A 19 -15.513 -8.230 -7.513 1.00 0.00 C ATOM 235 O TYR A 19 -15.251 -8.680 -8.628 1.00 0.00 O ATOM 236 CB TYR A 19 -16.604 -6.073 -6.867 1.00 0.00 C ATOM 237 CG TYR A 19 -17.316 -5.536 -8.088 1.00 0.00 C ATOM 238 CD1 TYR A 19 -16.741 -4.542 -8.870 1.00 0.00 C ATOM 239 CD2 TYR A 19 -18.565 -6.020 -8.457 1.00 0.00 C ATOM 240 CE1 TYR A 19 -17.389 -4.047 -9.986 1.00 0.00 C ATOM 241 CE2 TYR A 19 -19.219 -5.533 -9.572 1.00 0.00 C ATOM 242 CZ TYR A 19 -18.627 -4.546 -10.333 1.00 0.00 C ATOM 243 OH TYR A 19 -19.276 -4.056 -11.443 1.00 0.00 O ATOM 0 H TYR A 19 -15.157 -6.040 -9.152 1.00 0.00 H new ATOM 0 HA TYR A 19 -14.623 -6.700 -6.315 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -17.257 -6.783 -6.359 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -16.423 -5.253 -6.172 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -15.771 -4.149 -8.601 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -19.033 -6.790 -7.862 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -16.928 -3.274 -10.583 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -20.188 -5.923 -9.847 1.00 0.00 H new ATOM 0 HH TYR A 19 -20.136 -4.514 -11.548 1.00 0.00 H new ATOM 253 N ILE A 20 -16.012 -8.973 -6.531 1.00 0.00 N ATOM 254 CA ILE A 20 -16.289 -10.393 -6.713 1.00 0.00 C ATOM 255 C ILE A 20 -17.328 -10.615 -7.806 1.00 0.00 C ATOM 256 O ILE A 20 -17.354 -11.664 -8.449 1.00 0.00 O ATOM 257 CB ILE A 20 -16.787 -11.041 -5.407 1.00 0.00 C ATOM 258 CG1 ILE A 20 -17.082 -12.525 -5.630 1.00 0.00 C ATOM 259 CG2 ILE A 20 -18.026 -10.320 -4.898 1.00 0.00 C ATOM 260 CD1 ILE A 20 -16.832 -13.381 -4.408 1.00 0.00 C ATOM 0 H ILE A 20 -16.233 -8.616 -5.601 1.00 0.00 H new ATOM 0 HA ILE A 20 -15.350 -10.862 -7.007 1.00 0.00 H new ATOM 0 HB ILE A 20 -16.004 -10.954 -4.653 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -18.122 -12.638 -5.936 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -16.466 -12.890 -6.452 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -18.366 -10.789 -3.975 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -17.786 -9.274 -4.707 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -18.815 -10.379 -5.647 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -17.062 -14.421 -4.639 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -15.786 -13.298 -4.113 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -17.468 -13.042 -3.590 1.00 0.00 H new ATOM 272 N LYS A 21 -18.182 -9.618 -8.015 1.00 0.00 N ATOM 273 CA LYS A 21 -19.222 -9.702 -9.033 1.00 0.00 C ATOM 274 C LYS A 21 -18.663 -9.360 -10.411 1.00 0.00 C ATOM 275 O LYS A 21 -19.139 -9.864 -11.427 1.00 0.00 O ATOM 276 CB LYS A 21 -20.376 -8.757 -8.691 1.00 0.00 C ATOM 277 CG LYS A 21 -20.619 -8.610 -7.199 1.00 0.00 C ATOM 278 CD LYS A 21 -20.917 -9.950 -6.547 1.00 0.00 C ATOM 279 CE LYS A 21 -22.402 -10.275 -6.596 1.00 0.00 C ATOM 280 NZ LYS A 21 -22.826 -11.104 -5.433 1.00 0.00 N ATOM 0 H LYS A 21 -18.174 -8.742 -7.492 1.00 0.00 H new ATOM 0 HA LYS A 21 -19.593 -10.727 -9.054 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -20.168 -7.775 -9.115 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -21.287 -9.123 -9.165 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -19.743 -8.163 -6.729 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -21.453 -7.929 -7.031 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -20.355 -10.735 -7.053 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -20.581 -9.934 -5.510 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -22.976 -9.349 -6.611 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -22.628 -10.805 -7.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -23.844 -11.304 -5.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -22.296 -11.999 -5.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -22.634 -10.588 -4.551 1.00 0.00 H new ATOM 294 N ASN A 22 -17.649 -8.501 -10.436 1.00 0.00 N ATOM 295 CA ASN A 22 -17.024 -8.093 -11.690 1.00 0.00 C ATOM 296 C ASN A 22 -15.639 -8.716 -11.836 1.00 0.00 C ATOM 297 O ASN A 22 -14.823 -8.261 -12.638 1.00 0.00 O ATOM 298 CB ASN A 22 -16.920 -6.568 -11.759 1.00 0.00 C ATOM 299 CG ASN A 22 -16.007 -6.101 -12.876 1.00 0.00 C ATOM 300 OD1 ASN A 22 -15.001 -5.308 -12.525 1.00 0.00 O flip ATOM 301 ND2 ASN A 22 -16.204 -6.449 -14.040 1.00 0.00 N flip ATOM 0 H ASN A 22 -17.243 -8.074 -9.603 1.00 0.00 H new ATOM 0 HA ASN A 22 -17.649 -8.446 -12.510 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -17.914 -6.145 -11.905 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -16.549 -6.188 -10.807 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -16.990 -7.060 -14.264 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -15.581 -6.127 -14.781 1.00 0.00 H new ATOM 308 N CYS A 23 -15.381 -9.759 -11.055 1.00 0.00 N ATOM 309 CA CYS A 23 -14.095 -10.446 -11.096 1.00 0.00 C ATOM 310 C CYS A 23 -13.909 -11.172 -12.426 1.00 0.00 C ATOM 311 O CYS A 23 -14.810 -11.844 -12.926 1.00 0.00 O ATOM 312 CB CYS A 23 -13.988 -11.442 -9.940 1.00 0.00 C ATOM 313 SG CYS A 23 -12.395 -12.322 -9.862 1.00 0.00 S ATOM 0 H CYS A 23 -16.045 -10.148 -10.386 1.00 0.00 H new ATOM 0 HA CYS A 23 -13.308 -9.698 -10.996 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -14.144 -10.911 -9.001 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -14.791 -12.174 -10.029 1.00 0.00 H new ATOM 0 HG CYS A 23 -12.565 -13.560 -10.219 1.00 0.00 H new ATOM 318 N PRO A 24 -12.710 -11.034 -13.012 1.00 0.00 N ATOM 319 CA PRO A 24 -12.376 -11.669 -14.290 1.00 0.00 C ATOM 320 C PRO A 24 -12.252 -13.184 -14.169 1.00 0.00 C ATOM 321 O PRO A 24 -12.747 -13.928 -15.016 1.00 0.00 O ATOM 322 CB PRO A 24 -11.025 -11.049 -14.652 1.00 0.00 C ATOM 323 CG PRO A 24 -10.432 -10.644 -13.347 1.00 0.00 C ATOM 324 CD PRO A 24 -11.589 -10.247 -12.472 1.00 0.00 C ATOM 0 HA PRO A 24 -13.149 -11.506 -15.041 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.388 -11.765 -15.171 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -11.147 -10.192 -15.314 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -9.870 -11.465 -12.902 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.737 -9.814 -13.475 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -11.400 -10.483 -11.425 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -11.786 -9.176 -12.527 1.00 0.00 H new