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 177:sc= -2.83 USER MOD Set 1.2: A 13 CYS SG : rot -51:sc= -0.323 USER MOD Set 1.3: A 18 HIS : no HE2:sc= -3.61! X(o=-8.9!,f=-9) USER MOD Set 1.4: A 23 CYS SG : rot 65:sc= -2.1 USER MOD Single : A 9 THR OG1 : rot 29:sc= 0.249 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= -2.29! C(o=-3.2!,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 87 N THR A 9 -12.200 -4.756 -1.812 1.00 0.00 N ATOM 88 CA THR A 9 -11.438 -5.516 -2.794 1.00 0.00 C ATOM 89 C THR A 9 -12.157 -6.807 -3.169 1.00 0.00 C ATOM 90 O THR A 9 -12.907 -7.367 -2.369 1.00 0.00 O ATOM 91 CB THR A 9 -10.031 -5.859 -2.271 1.00 0.00 C ATOM 92 OG1 THR A 9 -9.432 -4.700 -1.679 1.00 0.00 O ATOM 93 CG2 THR A 9 -9.146 -6.375 -3.395 1.00 0.00 C ATOM 0 HA THR A 9 -11.345 -4.885 -3.678 1.00 0.00 H new ATOM 0 HB THR A 9 -10.128 -6.642 -1.519 1.00 0.00 H new ATOM 0 HG1 THR A 9 -10.133 -4.120 -1.315 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.157 -6.610 -3.001 1.00 0.00 H new ATOM 0 HG22 THR A 9 -9.589 -7.274 -3.824 1.00 0.00 H new ATOM 0 HG23 THR A 9 -9.056 -5.611 -4.167 1.00 0.00 H new ATOM 101 N CYS A 10 -11.923 -7.276 -4.390 1.00 0.00 N ATOM 102 CA CYS A 10 -12.548 -8.502 -4.872 1.00 0.00 C ATOM 103 C CYS A 10 -12.318 -9.650 -3.893 1.00 0.00 C ATOM 104 O CYS A 10 -11.189 -10.108 -3.711 1.00 0.00 O ATOM 105 CB CYS A 10 -11.997 -8.873 -6.250 1.00 0.00 C ATOM 106 SG CYS A 10 -12.645 -10.442 -6.912 1.00 0.00 S ATOM 0 H CYS A 10 -11.305 -6.825 -5.064 1.00 0.00 H new ATOM 0 HA CYS A 10 -13.621 -8.326 -4.953 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -12.230 -8.071 -6.951 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -10.911 -8.937 -6.190 1.00 0.00 H new ATOM 0 HG CYS A 10 -12.175 -10.635 -8.109 1.00 0.00 H new ATOM 111 N PHE A 11 -13.395 -10.112 -3.267 1.00 0.00 N ATOM 112 CA PHE A 11 -13.311 -11.206 -2.307 1.00 0.00 C ATOM 113 C PHE A 11 -13.148 -12.545 -3.021 1.00 0.00 C ATOM 114 O PHE A 11 -13.005 -13.587 -2.382 1.00 0.00 O ATOM 115 CB PHE A 11 -14.561 -11.235 -1.424 1.00 0.00 C ATOM 116 CG PHE A 11 -14.434 -12.145 -0.236 1.00 0.00 C ATOM 117 CD1 PHE A 11 -13.712 -11.753 0.880 1.00 0.00 C ATOM 118 CD2 PHE A 11 -15.038 -13.392 -0.234 1.00 0.00 C ATOM 119 CE1 PHE A 11 -13.593 -12.589 1.974 1.00 0.00 C ATOM 120 CE2 PHE A 11 -14.924 -14.232 0.858 1.00 0.00 C ATOM 121 CZ PHE A 11 -14.201 -13.829 1.964 1.00 0.00 C ATOM 0 H PHE A 11 -14.337 -9.746 -3.407 1.00 0.00 H new ATOM 0 HA PHE A 11 -12.435 -11.039 -1.680 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -14.774 -10.224 -1.076 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -15.413 -11.552 -2.025 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -13.237 -10.783 0.895 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -15.605 -13.712 -1.096 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -13.025 -12.273 2.836 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -15.399 -15.202 0.846 1.00 0.00 H new ATOM 0 HZ PHE A 11 -14.111 -14.482 2.819 1.00 0.00 H new ATOM 131 N ARG A 12 -13.169 -12.506 -4.349 1.00 0.00 N ATOM 132 CA ARG A 12 -13.025 -13.716 -5.150 1.00 0.00 C ATOM 133 C ARG A 12 -11.561 -14.136 -5.242 1.00 0.00 C ATOM 134 O ARG A 12 -11.171 -15.182 -4.721 1.00 0.00 O ATOM 135 CB ARG A 12 -13.592 -13.493 -6.554 1.00 0.00 C ATOM 136 CG ARG A 12 -14.015 -14.776 -7.250 1.00 0.00 C ATOM 137 CD ARG A 12 -14.827 -14.488 -8.503 1.00 0.00 C ATOM 138 NE ARG A 12 -15.221 -15.714 -9.193 1.00 0.00 N ATOM 139 CZ ARG A 12 -16.122 -16.567 -8.719 1.00 0.00 C ATOM 140 NH1 ARG A 12 -16.719 -16.329 -7.559 1.00 0.00 N ATOM 141 NH2 ARG A 12 -16.428 -17.660 -9.405 1.00 0.00 N ATOM 0 H ARG A 12 -13.284 -11.651 -4.893 1.00 0.00 H new ATOM 0 HA ARG A 12 -13.584 -14.514 -4.662 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -14.451 -12.825 -6.488 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -12.842 -12.989 -7.164 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -13.131 -15.357 -7.513 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -14.605 -15.386 -6.565 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -15.718 -13.920 -8.235 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -14.242 -13.864 -9.179 1.00 0.00 H new ATOM 0 HE ARG A 12 -14.780 -15.927 -10.088 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -16.487 -15.489 -7.029 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -17.411 -16.986 -7.197 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -15.971 -17.846 -10.298 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -17.120 -18.314 -9.040 1.00 0.00 H new ATOM 155 N CYS A 13 -10.755 -13.315 -5.907 1.00 0.00 N ATOM 156 CA CYS A 13 -9.335 -13.601 -6.068 1.00 0.00 C ATOM 157 C CYS A 13 -8.503 -12.804 -5.068 1.00 0.00 C ATOM 158 O CYS A 13 -7.442 -13.249 -4.632 1.00 0.00 O ATOM 159 CB CYS A 13 -8.887 -13.277 -7.494 1.00 0.00 C ATOM 160 SG CYS A 13 -9.003 -11.511 -7.927 1.00 0.00 S ATOM 0 H CYS A 13 -11.062 -12.446 -6.343 1.00 0.00 H new ATOM 0 HA CYS A 13 -9.180 -14.663 -5.878 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -7.855 -13.605 -7.623 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -9.494 -13.852 -8.193 1.00 0.00 H new ATOM 0 HG CYS A 13 -10.194 -11.072 -7.644 1.00 0.00 H new ATOM 165 N GLY A 14 -8.993 -11.621 -4.709 1.00 0.00 N ATOM 166 CA GLY A 14 -8.282 -10.780 -3.763 1.00 0.00 C ATOM 167 C GLY A 14 -7.499 -9.675 -4.444 1.00 0.00 C ATOM 168 O GLY A 14 -6.377 -9.363 -4.045 1.00 0.00 O ATOM 0 H GLY A 14 -9.869 -11.230 -5.056 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -8.995 -10.339 -3.066 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.600 -11.395 -3.176 1.00 0.00 H new ATOM 172 N LYS A 15 -8.090 -9.083 -5.476 1.00 0.00 N ATOM 173 CA LYS A 15 -7.441 -8.007 -6.215 1.00 0.00 C ATOM 174 C LYS A 15 -8.352 -6.788 -6.314 1.00 0.00 C ATOM 175 O LYS A 15 -9.546 -6.896 -6.594 1.00 0.00 O ATOM 176 CB LYS A 15 -7.056 -8.484 -7.618 1.00 0.00 C ATOM 177 CG LYS A 15 -5.905 -9.475 -7.629 1.00 0.00 C ATOM 178 CD LYS A 15 -4.564 -8.771 -7.752 1.00 0.00 C ATOM 179 CE LYS A 15 -4.156 -8.600 -9.207 1.00 0.00 C ATOM 180 NZ LYS A 15 -2.677 -8.537 -9.365 1.00 0.00 N ATOM 0 H LYS A 15 -9.018 -9.330 -5.820 1.00 0.00 H new ATOM 0 HA LYS A 15 -6.539 -7.722 -5.674 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.925 -8.944 -8.087 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.786 -7.620 -8.225 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.924 -10.066 -6.713 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.030 -10.170 -8.460 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.619 -7.794 -7.271 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.801 -9.344 -7.224 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.549 -9.430 -9.794 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.603 -7.689 -9.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.440 -8.420 -10.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.304 -7.730 -8.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.252 -9.417 -9.009 1.00 0.00 H new ATOM 194 N PRO A 16 -7.778 -5.598 -6.080 1.00 0.00 N ATOM 195 CA PRO A 16 -8.520 -4.336 -6.139 1.00 0.00 C ATOM 196 C PRO A 16 -8.929 -3.969 -7.561 1.00 0.00 C ATOM 197 O PRO A 16 -8.680 -4.721 -8.502 1.00 0.00 O ATOM 198 CB PRO A 16 -7.524 -3.312 -5.588 1.00 0.00 C ATOM 199 CG PRO A 16 -6.184 -3.905 -5.857 1.00 0.00 C ATOM 200 CD PRO A 16 -6.359 -5.394 -5.741 1.00 0.00 C ATOM 0 HA PRO A 16 -9.454 -4.387 -5.579 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -7.636 -2.346 -6.081 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -7.676 -3.145 -4.522 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.828 -3.630 -6.850 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.446 -3.542 -5.142 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -5.701 -5.930 -6.425 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -6.131 -5.748 -4.736 1.00 0.00 H new ATOM 208 N GLY A 17 -9.558 -2.807 -7.711 1.00 0.00 N ATOM 209 CA GLY A 17 -9.990 -2.361 -9.022 1.00 0.00 C ATOM 210 C GLY A 17 -11.348 -2.915 -9.405 1.00 0.00 C ATOM 211 O GLY A 17 -12.159 -2.222 -10.021 1.00 0.00 O ATOM 0 H GLY A 17 -9.776 -2.167 -6.947 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -10.028 -1.272 -9.037 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -9.254 -2.665 -9.766 1.00 0.00 H new ATOM 215 N HIS A 18 -11.598 -4.169 -9.040 1.00 0.00 N ATOM 216 CA HIS A 18 -12.868 -4.817 -9.350 1.00 0.00 C ATOM 217 C HIS A 18 -13.444 -5.502 -8.114 1.00 0.00 C ATOM 218 O HIS A 18 -12.825 -5.508 -7.050 1.00 0.00 O ATOM 219 CB HIS A 18 -12.684 -5.837 -10.473 1.00 0.00 C ATOM 220 CG HIS A 18 -11.846 -7.015 -10.082 1.00 0.00 C ATOM 221 ND1 HIS A 18 -10.469 -7.015 -10.150 1.00 0.00 N ATOM 222 CD2 HIS A 18 -12.198 -8.235 -9.613 1.00 0.00 C ATOM 223 CE1 HIS A 18 -10.010 -8.185 -9.743 1.00 0.00 C ATOM 224 NE2 HIS A 18 -11.039 -8.943 -9.410 1.00 0.00 N ATOM 0 H HIS A 18 -10.938 -4.756 -8.530 1.00 0.00 H new ATOM 0 HA HIS A 18 -13.569 -4.049 -9.678 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -13.663 -6.190 -10.796 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -12.225 -5.343 -11.329 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -9.894 -6.234 -10.465 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -13.203 -8.586 -9.432 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -8.970 -8.473 -9.691 1.00 0.00 H new ATOM 232 N TYR A 19 -14.632 -6.077 -8.262 1.00 0.00 N ATOM 233 CA TYR A 19 -15.293 -6.762 -7.158 1.00 0.00 C ATOM 234 C TYR A 19 -15.512 -8.236 -7.484 1.00 0.00 C ATOM 235 O TYR A 19 -15.227 -8.687 -8.594 1.00 0.00 O ATOM 236 CB TYR A 19 -16.632 -6.093 -6.843 1.00 0.00 C ATOM 237 CG TYR A 19 -17.337 -5.546 -8.064 1.00 0.00 C ATOM 238 CD1 TYR A 19 -16.747 -4.562 -8.848 1.00 0.00 C ATOM 239 CD2 TYR A 19 -18.593 -6.012 -8.433 1.00 0.00 C ATOM 240 CE1 TYR A 19 -17.388 -4.058 -9.963 1.00 0.00 C ATOM 241 CE2 TYR A 19 -19.240 -5.516 -9.547 1.00 0.00 C ATOM 242 CZ TYR A 19 -18.634 -4.539 -10.309 1.00 0.00 C ATOM 243 OH TYR A 19 -19.276 -4.041 -11.420 1.00 0.00 O ATOM 0 H TYR A 19 -15.157 -6.082 -9.136 1.00 0.00 H new ATOM 0 HA TYR A 19 -14.646 -6.695 -6.283 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -17.283 -6.816 -6.351 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -16.465 -5.281 -6.135 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -15.771 -4.185 -8.581 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -19.071 -6.776 -7.838 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -16.917 -3.292 -10.561 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -20.215 -5.891 -9.820 1.00 0.00 H new ATOM 0 HH TYR A 19 -20.143 -4.486 -11.524 1.00 0.00 H new ATOM 253 N ILE A 20 -16.021 -8.982 -6.509 1.00 0.00 N ATOM 254 CA ILE A 20 -16.280 -10.404 -6.692 1.00 0.00 C ATOM 255 C ILE A 20 -17.318 -10.638 -7.785 1.00 0.00 C ATOM 256 O ILE A 20 -17.416 -11.733 -8.340 1.00 0.00 O ATOM 257 CB ILE A 20 -16.770 -11.060 -5.387 1.00 0.00 C ATOM 258 CG1 ILE A 20 -17.059 -12.545 -5.614 1.00 0.00 C ATOM 259 CG2 ILE A 20 -18.009 -10.346 -4.868 1.00 0.00 C ATOM 260 CD1 ILE A 20 -16.816 -13.402 -4.391 1.00 0.00 C ATOM 0 H ILE A 20 -16.262 -8.625 -5.584 1.00 0.00 H new ATOM 0 HA ILE A 20 -15.335 -10.861 -6.987 1.00 0.00 H new ATOM 0 HB ILE A 20 -15.984 -10.973 -4.637 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -18.096 -12.661 -5.929 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -16.435 -12.907 -6.431 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -18.343 -10.821 -3.946 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -17.771 -9.300 -4.672 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -18.802 -10.404 -5.614 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -17.041 -14.442 -4.625 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -15.773 -13.316 -4.088 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -17.459 -13.066 -3.578 1.00 0.00 H new ATOM 272 N LYS A 21 -18.089 -9.601 -8.092 1.00 0.00 N ATOM 273 CA LYS A 21 -19.118 -9.690 -9.121 1.00 0.00 C ATOM 274 C LYS A 21 -18.549 -9.335 -10.491 1.00 0.00 C ATOM 275 O LYS A 21 -18.985 -9.868 -11.511 1.00 0.00 O ATOM 276 CB LYS A 21 -20.286 -8.760 -8.786 1.00 0.00 C ATOM 277 CG LYS A 21 -20.535 -8.608 -7.295 1.00 0.00 C ATOM 278 CD LYS A 21 -21.054 -9.899 -6.683 1.00 0.00 C ATOM 279 CE LYS A 21 -22.571 -9.976 -6.748 1.00 0.00 C ATOM 280 NZ LYS A 21 -23.068 -11.354 -6.480 1.00 0.00 N ATOM 0 H LYS A 21 -18.021 -8.688 -7.642 1.00 0.00 H new ATOM 0 HA LYS A 21 -19.478 -10.718 -9.151 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -20.091 -7.777 -9.215 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -21.191 -9.141 -9.260 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -19.610 -8.315 -6.799 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -21.256 -7.808 -7.125 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -20.623 -10.751 -7.208 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -20.729 -9.967 -5.645 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -23.001 -9.287 -6.021 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -22.909 -9.653 -7.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -24.107 -11.365 -6.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -22.678 -12.008 -7.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -22.767 -11.653 -5.530 1.00 0.00 H new ATOM 294 N ASN A 22 -17.573 -8.434 -10.506 1.00 0.00 N ATOM 295 CA ASN A 22 -16.944 -8.009 -11.751 1.00 0.00 C ATOM 296 C ASN A 22 -15.569 -8.652 -11.913 1.00 0.00 C ATOM 297 O ASN A 22 -14.756 -8.208 -12.724 1.00 0.00 O ATOM 298 CB ASN A 22 -16.814 -6.485 -11.788 1.00 0.00 C ATOM 299 CG ASN A 22 -15.890 -6.010 -12.892 1.00 0.00 C ATOM 300 OD1 ASN A 22 -14.908 -5.192 -12.531 1.00 0.00 O flip ATOM 301 ND2 ASN A 22 -16.057 -6.374 -14.057 1.00 0.00 N flip ATOM 0 H ASN A 22 -17.200 -7.984 -9.670 1.00 0.00 H new ATOM 0 HA ASN A 22 -17.577 -8.333 -12.577 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -17.800 -6.042 -11.928 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -16.439 -6.132 -10.827 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -16.825 -7.004 -14.289 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -15.427 -6.046 -14.789 1.00 0.00 H new ATOM 308 N CYS A 23 -15.316 -9.699 -11.136 1.00 0.00 N ATOM 309 CA CYS A 23 -14.041 -10.404 -11.191 1.00 0.00 C ATOM 310 C CYS A 23 -13.902 -11.173 -12.501 1.00 0.00 C ATOM 311 O CYS A 23 -14.827 -11.847 -12.956 1.00 0.00 O ATOM 312 CB CYS A 23 -13.913 -11.363 -10.007 1.00 0.00 C ATOM 313 SG CYS A 23 -12.330 -12.263 -9.947 1.00 0.00 S ATOM 0 H CYS A 23 -15.978 -10.079 -10.459 1.00 0.00 H new ATOM 0 HA CYS A 23 -13.242 -9.664 -11.138 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -14.034 -10.799 -9.082 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -14.728 -12.085 -10.049 1.00 0.00 H new ATOM 0 HG CYS A 23 -11.360 -11.422 -9.745 1.00 0.00 H new ATOM 318 N PRO A 24 -12.718 -11.073 -13.123 1.00 0.00 N ATOM 319 CA PRO A 24 -12.428 -11.754 -14.389 1.00 0.00 C ATOM 320 C PRO A 24 -12.324 -13.266 -14.224 1.00 0.00 C ATOM 321 O PRO A 24 -12.916 -14.028 -14.989 1.00 0.00 O ATOM 322 CB PRO A 24 -11.077 -11.167 -14.806 1.00 0.00 C ATOM 323 CG PRO A 24 -10.443 -10.731 -13.531 1.00 0.00 C ATOM 324 CD PRO A 24 -11.570 -10.289 -12.638 1.00 0.00 C ATOM 0 HA PRO A 24 -13.219 -11.603 -15.123 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.465 -11.909 -15.319 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -11.204 -10.329 -15.492 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -9.881 -11.547 -13.076 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.739 -9.917 -13.704 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -11.356 -10.496 -11.589 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -11.752 -9.217 -12.721 1.00 0.00 H new