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 174:sc= -3.17 USER MOD Set 1.2: A 13 CYS SG : rot -48:sc= -0.0754 USER MOD Set 1.3: A 18 HIS : no HE2:sc= -4.3! K(o=-8!,f=-8.7) USER MOD Set 1.4: A 23 CYS SG : rot 66:sc= -0.467 USER MOD Single : A 9 THR OG1 : rot 30:sc= 0.194 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= -2.8! C(o=-2.8!,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 87 N THR A 9 -12.200 -4.690 -1.965 1.00 0.00 N ATOM 88 CA THR A 9 -11.433 -5.505 -2.898 1.00 0.00 C ATOM 89 C THR A 9 -12.174 -6.792 -3.241 1.00 0.00 C ATOM 90 O THR A 9 -12.964 -7.298 -2.443 1.00 0.00 O ATOM 91 CB THR A 9 -10.048 -5.861 -2.325 1.00 0.00 C ATOM 92 OG1 THR A 9 -9.412 -4.684 -1.813 1.00 0.00 O ATOM 93 CG2 THR A 9 -9.169 -6.496 -3.391 1.00 0.00 C ATOM 0 HA THR A 9 -11.302 -4.912 -3.803 1.00 0.00 H new ATOM 0 HB THR A 9 -10.187 -6.579 -1.516 1.00 0.00 H new ATOM 0 HG1 THR A 9 -10.094 -4.057 -1.492 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.196 -6.739 -2.963 1.00 0.00 H new ATOM 0 HG22 THR A 9 -9.642 -7.407 -3.757 1.00 0.00 H new ATOM 0 HG23 THR A 9 -9.038 -5.798 -4.218 1.00 0.00 H new ATOM 101 N CYS A 10 -11.916 -7.318 -4.434 1.00 0.00 N ATOM 102 CA CYS A 10 -12.558 -8.547 -4.883 1.00 0.00 C ATOM 103 C CYS A 10 -12.353 -9.670 -3.871 1.00 0.00 C ATOM 104 O CYS A 10 -11.232 -10.132 -3.658 1.00 0.00 O ATOM 105 CB CYS A 10 -12.004 -8.967 -6.246 1.00 0.00 C ATOM 106 SG CYS A 10 -12.708 -10.521 -6.888 1.00 0.00 S ATOM 0 H CYS A 10 -11.266 -6.912 -5.107 1.00 0.00 H new ATOM 0 HA CYS A 10 -13.627 -8.356 -4.975 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -12.194 -8.170 -6.965 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -10.922 -9.075 -6.169 1.00 0.00 H new ATOM 0 HG CYS A 10 -12.281 -10.723 -8.099 1.00 0.00 H new ATOM 111 N PHE A 11 -13.445 -10.105 -3.249 1.00 0.00 N ATOM 112 CA PHE A 11 -13.386 -11.173 -2.258 1.00 0.00 C ATOM 113 C PHE A 11 -13.243 -12.534 -2.933 1.00 0.00 C ATOM 114 O PHE A 11 -13.206 -13.568 -2.267 1.00 0.00 O ATOM 115 CB PHE A 11 -14.640 -11.154 -1.382 1.00 0.00 C ATOM 116 CG PHE A 11 -14.515 -11.987 -0.138 1.00 0.00 C ATOM 117 CD1 PHE A 11 -13.623 -11.634 0.861 1.00 0.00 C ATOM 118 CD2 PHE A 11 -15.290 -13.123 0.031 1.00 0.00 C ATOM 119 CE1 PHE A 11 -13.505 -12.400 2.006 1.00 0.00 C ATOM 120 CE2 PHE A 11 -15.177 -13.892 1.174 1.00 0.00 C ATOM 121 CZ PHE A 11 -14.284 -13.529 2.163 1.00 0.00 C ATOM 0 H PHE A 11 -14.381 -9.734 -3.414 1.00 0.00 H new ATOM 0 HA PHE A 11 -12.511 -11.005 -1.631 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -14.861 -10.125 -1.100 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -15.487 -11.513 -1.966 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -13.013 -10.751 0.744 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -15.990 -13.411 -0.739 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -12.804 -12.115 2.777 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -15.786 -14.776 1.294 1.00 0.00 H new ATOM 0 HZ PHE A 11 -14.195 -14.127 3.058 1.00 0.00 H new ATOM 131 N ARG A 12 -13.165 -12.524 -4.260 1.00 0.00 N ATOM 132 CA ARG A 12 -13.029 -13.757 -5.026 1.00 0.00 C ATOM 133 C ARG A 12 -11.567 -14.185 -5.113 1.00 0.00 C ATOM 134 O ARG A 12 -11.178 -15.219 -4.570 1.00 0.00 O ATOM 135 CB ARG A 12 -13.602 -13.575 -6.432 1.00 0.00 C ATOM 136 CG ARG A 12 -14.016 -14.878 -7.096 1.00 0.00 C ATOM 137 CD ARG A 12 -14.859 -14.629 -8.337 1.00 0.00 C ATOM 138 NE ARG A 12 -15.791 -15.723 -8.595 1.00 0.00 N ATOM 139 CZ ARG A 12 -15.451 -16.847 -9.217 1.00 0.00 C ATOM 140 NH1 ARG A 12 -14.207 -17.023 -9.642 1.00 0.00 N ATOM 141 NH2 ARG A 12 -16.355 -17.797 -9.414 1.00 0.00 N ATOM 0 H ARG A 12 -13.194 -11.676 -4.826 1.00 0.00 H new ATOM 0 HA ARG A 12 -13.588 -14.538 -4.511 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -14.467 -12.913 -6.380 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -12.859 -13.079 -7.056 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -13.127 -15.448 -7.367 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -14.580 -15.485 -6.388 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -15.416 -13.700 -8.216 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -14.205 -14.499 -9.199 1.00 0.00 H new ATOM 0 HE ARG A 12 -16.756 -15.619 -8.281 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -13.509 -16.295 -9.492 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -13.948 -17.887 -10.119 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -17.312 -17.665 -9.088 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -16.093 -18.659 -9.892 1.00 0.00 H new ATOM 155 N CYS A 13 -10.761 -13.382 -5.800 1.00 0.00 N ATOM 156 CA CYS A 13 -9.342 -13.676 -5.959 1.00 0.00 C ATOM 157 C CYS A 13 -8.504 -12.861 -4.978 1.00 0.00 C ATOM 158 O CYS A 13 -7.467 -13.321 -4.500 1.00 0.00 O ATOM 159 CB CYS A 13 -8.897 -13.383 -7.394 1.00 0.00 C ATOM 160 SG CYS A 13 -9.100 -11.643 -7.894 1.00 0.00 S ATOM 0 H CYS A 13 -11.067 -12.522 -6.256 1.00 0.00 H new ATOM 0 HA CYS A 13 -9.190 -14.734 -5.747 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -7.849 -13.661 -7.502 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -9.466 -14.015 -8.076 1.00 0.00 H new ATOM 0 HG CYS A 13 -10.293 -11.236 -7.575 1.00 0.00 H new ATOM 165 N GLY A 14 -8.961 -11.648 -4.683 1.00 0.00 N ATOM 166 CA GLY A 14 -8.242 -10.789 -3.761 1.00 0.00 C ATOM 167 C GLY A 14 -7.468 -9.696 -4.471 1.00 0.00 C ATOM 168 O GLY A 14 -6.331 -9.393 -4.107 1.00 0.00 O ATOM 0 H GLY A 14 -9.816 -11.245 -5.066 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -8.948 -10.336 -3.065 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.553 -11.392 -3.169 1.00 0.00 H new ATOM 172 N LYS A 15 -8.084 -9.102 -5.488 1.00 0.00 N ATOM 173 CA LYS A 15 -7.446 -8.036 -6.252 1.00 0.00 C ATOM 174 C LYS A 15 -8.357 -6.817 -6.350 1.00 0.00 C ATOM 175 O LYS A 15 -9.552 -6.926 -6.625 1.00 0.00 O ATOM 176 CB LYS A 15 -7.087 -8.531 -7.655 1.00 0.00 C ATOM 177 CG LYS A 15 -5.934 -9.521 -7.674 1.00 0.00 C ATOM 178 CD LYS A 15 -4.598 -8.817 -7.839 1.00 0.00 C ATOM 179 CE LYS A 15 -4.223 -8.669 -9.305 1.00 0.00 C ATOM 180 NZ LYS A 15 -2.791 -8.298 -9.477 1.00 0.00 N ATOM 0 H LYS A 15 -9.025 -9.341 -5.802 1.00 0.00 H new ATOM 0 HA LYS A 15 -6.534 -7.745 -5.731 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.964 -8.999 -8.102 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.830 -7.675 -8.279 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.932 -10.096 -6.748 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.076 -10.230 -8.489 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.644 -7.833 -7.373 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.823 -9.380 -7.319 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.421 -9.605 -9.827 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.853 -7.908 -9.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.575 -8.207 -10.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.608 -7.392 -9.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.189 -9.036 -9.060 1.00 0.00 H new ATOM 194 N PRO A 16 -7.782 -5.627 -6.120 1.00 0.00 N ATOM 195 CA PRO A 16 -8.524 -4.365 -6.179 1.00 0.00 C ATOM 196 C PRO A 16 -8.937 -4.001 -7.601 1.00 0.00 C ATOM 197 O PRO A 16 -8.707 -4.762 -8.539 1.00 0.00 O ATOM 198 CB PRO A 16 -7.525 -3.341 -5.633 1.00 0.00 C ATOM 199 CG PRO A 16 -6.187 -3.935 -5.906 1.00 0.00 C ATOM 200 CD PRO A 16 -6.362 -5.423 -5.786 1.00 0.00 C ATOM 0 HA PRO A 16 -9.456 -4.413 -5.617 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -7.638 -2.376 -6.127 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -7.673 -3.173 -4.566 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.835 -3.663 -6.901 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.446 -3.571 -5.195 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -5.707 -5.961 -6.471 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -6.131 -5.775 -4.781 1.00 0.00 H new ATOM 208 N GLY A 17 -9.549 -2.830 -7.753 1.00 0.00 N ATOM 209 CA GLY A 17 -9.984 -2.385 -9.064 1.00 0.00 C ATOM 210 C GLY A 17 -11.326 -2.970 -9.459 1.00 0.00 C ATOM 211 O GLY A 17 -12.133 -2.307 -10.111 1.00 0.00 O ATOM 0 H GLY A 17 -9.751 -2.182 -6.992 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -10.049 -1.297 -9.072 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -9.236 -2.665 -9.806 1.00 0.00 H new ATOM 215 N HIS A 18 -11.565 -4.217 -9.065 1.00 0.00 N ATOM 216 CA HIS A 18 -12.819 -4.892 -9.383 1.00 0.00 C ATOM 217 C HIS A 18 -13.387 -5.591 -8.151 1.00 0.00 C ATOM 218 O HIS A 18 -12.731 -5.669 -7.112 1.00 0.00 O ATOM 219 CB HIS A 18 -12.606 -5.906 -10.507 1.00 0.00 C ATOM 220 CG HIS A 18 -11.808 -7.104 -10.090 1.00 0.00 C ATOM 221 ND1 HIS A 18 -10.437 -7.176 -10.217 1.00 0.00 N ATOM 222 CD2 HIS A 18 -12.197 -8.280 -9.544 1.00 0.00 C ATOM 223 CE1 HIS A 18 -10.017 -8.345 -9.769 1.00 0.00 C ATOM 224 NE2 HIS A 18 -11.065 -9.034 -9.354 1.00 0.00 N ATOM 0 H HIS A 18 -10.908 -4.780 -8.526 1.00 0.00 H new ATOM 0 HA HIS A 18 -13.535 -4.140 -9.714 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -13.577 -6.237 -10.876 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -12.100 -5.414 -11.338 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -9.841 -6.441 -10.597 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -13.209 -8.571 -9.303 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -8.991 -8.681 -9.746 1.00 0.00 H new ATOM 232 N TYR A 19 -14.608 -6.098 -8.276 1.00 0.00 N ATOM 233 CA TYR A 19 -15.265 -6.788 -7.172 1.00 0.00 C ATOM 234 C TYR A 19 -15.515 -8.253 -7.517 1.00 0.00 C ATOM 235 O TYR A 19 -15.307 -8.679 -8.653 1.00 0.00 O ATOM 236 CB TYR A 19 -16.588 -6.101 -6.828 1.00 0.00 C ATOM 237 CG TYR A 19 -17.316 -5.551 -8.034 1.00 0.00 C ATOM 238 CD1 TYR A 19 -16.737 -4.573 -8.833 1.00 0.00 C ATOM 239 CD2 TYR A 19 -18.583 -6.009 -8.373 1.00 0.00 C ATOM 240 CE1 TYR A 19 -17.399 -4.067 -9.935 1.00 0.00 C ATOM 241 CE2 TYR A 19 -19.251 -5.510 -9.474 1.00 0.00 C ATOM 242 CZ TYR A 19 -18.655 -4.540 -10.252 1.00 0.00 C ATOM 243 OH TYR A 19 -19.319 -4.039 -11.349 1.00 0.00 O ATOM 0 H TYR A 19 -15.163 -6.044 -9.130 1.00 0.00 H new ATOM 0 HA TYR A 19 -14.605 -6.745 -6.306 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -17.236 -6.813 -6.317 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -16.394 -5.288 -6.129 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -15.753 -4.202 -8.588 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -19.053 -6.768 -7.765 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -16.936 -3.305 -10.545 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -20.235 -5.878 -9.724 1.00 0.00 H new ATOM 0 HH TYR A 19 -20.191 -4.479 -11.433 1.00 0.00 H new ATOM 253 N ILE A 20 -15.964 -9.019 -6.528 1.00 0.00 N ATOM 254 CA ILE A 20 -16.245 -10.435 -6.726 1.00 0.00 C ATOM 255 C ILE A 20 -17.289 -10.641 -7.819 1.00 0.00 C ATOM 256 O ILE A 20 -17.349 -11.700 -8.444 1.00 0.00 O ATOM 257 CB ILE A 20 -16.740 -11.098 -5.427 1.00 0.00 C ATOM 258 CG1 ILE A 20 -17.088 -12.566 -5.679 1.00 0.00 C ATOM 259 CG2 ILE A 20 -17.944 -10.349 -4.876 1.00 0.00 C ATOM 260 CD1 ILE A 20 -16.940 -13.442 -4.454 1.00 0.00 C ATOM 0 H ILE A 20 -16.141 -8.682 -5.582 1.00 0.00 H new ATOM 0 HA ILE A 20 -15.308 -10.903 -7.029 1.00 0.00 H new ATOM 0 HB ILE A 20 -15.941 -11.056 -4.687 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -18.114 -12.631 -6.040 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -16.447 -12.952 -6.471 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -18.282 -10.829 -3.958 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -17.665 -9.317 -4.664 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -18.749 -10.363 -5.611 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -17.203 -14.469 -4.707 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -15.908 -13.408 -4.105 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -17.602 -13.081 -3.667 1.00 0.00 H new ATOM 272 N LYS A 21 -18.109 -9.621 -8.045 1.00 0.00 N ATOM 273 CA LYS A 21 -19.150 -9.687 -9.064 1.00 0.00 C ATOM 274 C LYS A 21 -18.585 -9.354 -10.441 1.00 0.00 C ATOM 275 O LYS A 21 -18.987 -9.940 -11.446 1.00 0.00 O ATOM 276 CB LYS A 21 -20.289 -8.724 -8.723 1.00 0.00 C ATOM 277 CG LYS A 21 -20.538 -8.580 -7.231 1.00 0.00 C ATOM 278 CD LYS A 21 -21.034 -9.880 -6.621 1.00 0.00 C ATOM 279 CE LYS A 21 -21.269 -9.740 -5.125 1.00 0.00 C ATOM 280 NZ LYS A 21 -21.912 -10.953 -4.548 1.00 0.00 N ATOM 0 H LYS A 21 -18.073 -8.738 -7.536 1.00 0.00 H new ATOM 0 HA LYS A 21 -19.538 -10.706 -9.085 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -20.062 -7.743 -9.141 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -21.204 -9.072 -9.204 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -19.617 -8.272 -6.735 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -21.271 -7.793 -7.058 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -21.961 -10.182 -7.109 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -20.306 -10.670 -6.804 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -20.318 -9.560 -4.623 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -21.899 -8.871 -4.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -22.055 -10.818 -3.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -22.831 -11.111 -5.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -21.300 -11.779 -4.705 1.00 0.00 H new ATOM 294 N ASN A 22 -17.648 -8.412 -10.480 1.00 0.00 N ATOM 295 CA ASN A 22 -17.027 -8.002 -11.734 1.00 0.00 C ATOM 296 C ASN A 22 -15.646 -8.633 -11.888 1.00 0.00 C ATOM 297 O ASN A 22 -14.829 -8.177 -12.689 1.00 0.00 O ATOM 298 CB ASN A 22 -16.914 -6.478 -11.798 1.00 0.00 C ATOM 299 CG ASN A 22 -16.022 -6.011 -12.932 1.00 0.00 C ATOM 300 OD1 ASN A 22 -16.276 -6.307 -14.099 1.00 0.00 O ATOM 301 ND2 ASN A 22 -14.968 -5.278 -12.591 1.00 0.00 N ATOM 0 H ASN A 22 -17.302 -7.918 -9.657 1.00 0.00 H new ATOM 0 HA ASN A 22 -17.658 -8.347 -12.553 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -17.908 -6.048 -11.921 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -16.520 -6.106 -10.852 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -14.330 -4.936 -13.310 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -14.796 -5.057 -11.610 1.00 0.00 H new ATOM 308 N CYS A 23 -15.392 -9.684 -11.116 1.00 0.00 N ATOM 309 CA CYS A 23 -14.111 -10.378 -11.166 1.00 0.00 C ATOM 310 C CYS A 23 -13.940 -11.110 -12.494 1.00 0.00 C ATOM 311 O CYS A 23 -14.844 -11.794 -12.975 1.00 0.00 O ATOM 312 CB CYS A 23 -13.999 -11.369 -10.006 1.00 0.00 C ATOM 313 SG CYS A 23 -12.423 -12.283 -9.958 1.00 0.00 S ATOM 0 H CYS A 23 -16.057 -10.074 -10.448 1.00 0.00 H new ATOM 0 HA CYS A 23 -13.319 -9.634 -11.077 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -14.122 -10.829 -9.067 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -14.819 -12.084 -10.072 1.00 0.00 H new ATOM 0 HG CYS A 23 -11.449 -11.457 -9.715 1.00 0.00 H new ATOM 318 N PRO A 24 -12.753 -10.965 -13.100 1.00 0.00 N ATOM 319 CA PRO A 24 -12.434 -11.606 -14.380 1.00 0.00 C ATOM 320 C PRO A 24 -12.295 -13.119 -14.252 1.00 0.00 C ATOM 321 O PRO A 24 -12.849 -13.874 -15.051 1.00 0.00 O ATOM 322 CB PRO A 24 -11.094 -10.976 -14.768 1.00 0.00 C ATOM 323 CG PRO A 24 -10.484 -10.558 -13.476 1.00 0.00 C ATOM 324 CD PRO A 24 -11.629 -10.166 -12.584 1.00 0.00 C ATOM 0 HA PRO A 24 -13.221 -11.455 -15.119 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.459 -11.689 -15.293 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -11.235 -10.124 -15.433 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -9.907 -11.371 -13.036 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.798 -9.723 -13.620 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -11.420 -10.394 -11.539 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -11.836 -9.097 -12.642 1.00 0.00 H new