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= -2.16 USER MOD Set 1.2: A 13 CYS SG : rot -54:sc= -0.498 USER MOD Set 1.3: A 18 HIS : no HE2:sc= -3.17! K(o=-6.7!,f=-7.3) USER MOD Set 1.4: A 23 CYS SG : rot 66:sc= -0.877 USER MOD Single : A 9 THR OG1 : rot 31:sc= 0.199 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=-0.00992 (180deg=-0.00992) USER MOD Single : A 22 ASN :FLIP amide:sc= -4.46! C(o=-5.3!,f=-4.5!) USER MOD ----------------------------------------------------------------- ATOM 87 N THR A 9 -12.250 -4.798 -1.764 1.00 0.00 N ATOM 88 CA THR A 9 -11.474 -5.547 -2.744 1.00 0.00 C ATOM 89 C THR A 9 -12.190 -6.831 -3.147 1.00 0.00 C ATOM 90 O THR A 9 -12.999 -7.367 -2.389 1.00 0.00 O ATOM 91 CB THR A 9 -10.076 -5.901 -2.203 1.00 0.00 C ATOM 92 OG1 THR A 9 -9.453 -4.734 -1.656 1.00 0.00 O ATOM 93 CG2 THR A 9 -9.201 -6.481 -3.303 1.00 0.00 C ATOM 0 HA THR A 9 -11.365 -4.905 -3.618 1.00 0.00 H new ATOM 0 HB THR A 9 -10.192 -6.651 -1.420 1.00 0.00 H new ATOM 0 HG1 THR A 9 -10.140 -4.133 -1.299 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.219 -6.723 -2.897 1.00 0.00 H new ATOM 0 HG22 THR A 9 -9.664 -7.386 -3.697 1.00 0.00 H new ATOM 0 HG23 THR A 9 -9.092 -5.750 -4.105 1.00 0.00 H new ATOM 101 N CYS A 10 -11.888 -7.320 -4.345 1.00 0.00 N ATOM 102 CA CYS A 10 -12.503 -8.542 -4.850 1.00 0.00 C ATOM 103 C CYS A 10 -12.305 -9.695 -3.870 1.00 0.00 C ATOM 104 O CYS A 10 -11.190 -10.181 -3.683 1.00 0.00 O ATOM 105 CB CYS A 10 -11.913 -8.909 -6.213 1.00 0.00 C ATOM 106 SG CYS A 10 -12.529 -10.484 -6.890 1.00 0.00 S ATOM 0 H CYS A 10 -11.221 -6.889 -4.985 1.00 0.00 H new ATOM 0 HA CYS A 10 -13.572 -8.362 -4.961 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -12.135 -8.110 -6.920 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -10.828 -8.963 -6.125 1.00 0.00 H new ATOM 0 HG CYS A 10 -12.092 -10.634 -8.105 1.00 0.00 H new ATOM 111 N PHE A 11 -13.396 -10.129 -3.247 1.00 0.00 N ATOM 112 CA PHE A 11 -13.343 -11.224 -2.286 1.00 0.00 C ATOM 113 C PHE A 11 -13.221 -12.568 -2.999 1.00 0.00 C ATOM 114 O PHE A 11 -13.192 -13.621 -2.362 1.00 0.00 O ATOM 115 CB PHE A 11 -14.592 -11.216 -1.402 1.00 0.00 C ATOM 116 CG PHE A 11 -14.472 -12.090 -0.187 1.00 0.00 C ATOM 117 CD1 PHE A 11 -13.685 -11.704 0.886 1.00 0.00 C ATOM 118 CD2 PHE A 11 -15.146 -13.298 -0.117 1.00 0.00 C ATOM 119 CE1 PHE A 11 -13.572 -12.507 2.005 1.00 0.00 C ATOM 120 CE2 PHE A 11 -15.038 -14.106 1.000 1.00 0.00 C ATOM 121 CZ PHE A 11 -14.250 -13.709 2.062 1.00 0.00 C ATOM 0 H PHE A 11 -14.327 -9.739 -3.391 1.00 0.00 H new ATOM 0 HA PHE A 11 -12.462 -11.082 -1.660 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -14.797 -10.193 -1.085 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -15.447 -11.544 -1.993 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -13.154 -10.765 0.847 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -15.764 -13.613 -0.945 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -12.954 -12.195 2.834 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -15.569 -15.046 1.042 1.00 0.00 H new ATOM 0 HZ PHE A 11 -14.164 -14.337 2.936 1.00 0.00 H new ATOM 131 N ARG A 12 -13.149 -12.523 -4.326 1.00 0.00 N ATOM 132 CA ARG A 12 -13.032 -13.735 -5.126 1.00 0.00 C ATOM 133 C ARG A 12 -11.572 -14.160 -5.259 1.00 0.00 C ATOM 134 O ARG A 12 -11.186 -15.242 -4.816 1.00 0.00 O ATOM 135 CB ARG A 12 -13.639 -13.517 -6.513 1.00 0.00 C ATOM 136 CG ARG A 12 -14.066 -14.804 -7.200 1.00 0.00 C ATOM 137 CD ARG A 12 -14.841 -14.523 -8.478 1.00 0.00 C ATOM 138 NE ARG A 12 -15.625 -15.677 -8.909 1.00 0.00 N ATOM 139 CZ ARG A 12 -15.090 -16.776 -9.428 1.00 0.00 C ATOM 140 NH1 ARG A 12 -13.777 -16.870 -9.581 1.00 0.00 N ATOM 141 NH2 ARG A 12 -15.870 -17.785 -9.796 1.00 0.00 N ATOM 0 H ARG A 12 -13.170 -11.660 -4.869 1.00 0.00 H new ATOM 0 HA ARG A 12 -13.579 -14.529 -4.618 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -14.503 -12.859 -6.423 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -12.912 -13.003 -7.142 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -13.186 -15.403 -7.432 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -14.683 -15.393 -6.521 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -15.505 -13.673 -8.320 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -14.146 -14.242 -9.269 1.00 0.00 H new ATOM 0 HE ARG A 12 -16.639 -15.637 -8.806 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -13.174 -16.097 -9.300 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -13.369 -17.716 -9.980 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -16.881 -17.717 -9.680 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -15.458 -18.629 -10.195 1.00 0.00 H new ATOM 155 N CYS A 13 -10.765 -13.300 -5.873 1.00 0.00 N ATOM 156 CA CYS A 13 -9.348 -13.585 -6.065 1.00 0.00 C ATOM 157 C CYS A 13 -8.495 -12.794 -5.078 1.00 0.00 C ATOM 158 O CYS A 13 -7.437 -13.252 -4.649 1.00 0.00 O ATOM 159 CB CYS A 13 -8.930 -13.252 -7.499 1.00 0.00 C ATOM 160 SG CYS A 13 -8.941 -11.471 -7.882 1.00 0.00 S ATOM 0 H CYS A 13 -11.069 -12.400 -6.246 1.00 0.00 H new ATOM 0 HA CYS A 13 -9.189 -14.648 -5.884 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -7.928 -13.644 -7.675 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -9.599 -13.765 -8.190 1.00 0.00 H new ATOM 0 HG CYS A 13 -10.108 -10.974 -7.599 1.00 0.00 H new ATOM 165 N GLY A 14 -8.964 -11.601 -4.722 1.00 0.00 N ATOM 166 CA GLY A 14 -8.232 -10.765 -3.789 1.00 0.00 C ATOM 167 C GLY A 14 -7.479 -9.646 -4.480 1.00 0.00 C ATOM 168 O GLY A 14 -6.370 -9.293 -4.078 1.00 0.00 O ATOM 0 H GLY A 14 -9.837 -11.199 -5.063 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -8.927 -10.338 -3.066 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.528 -11.381 -3.229 1.00 0.00 H new ATOM 172 N LYS A 15 -8.080 -9.087 -5.525 1.00 0.00 N ATOM 173 CA LYS A 15 -7.460 -8.002 -6.275 1.00 0.00 C ATOM 174 C LYS A 15 -8.389 -6.795 -6.356 1.00 0.00 C ATOM 175 O LYS A 15 -9.580 -6.917 -6.643 1.00 0.00 O ATOM 176 CB LYS A 15 -7.094 -8.473 -7.685 1.00 0.00 C ATOM 177 CG LYS A 15 -5.965 -9.487 -7.713 1.00 0.00 C ATOM 178 CD LYS A 15 -4.611 -8.812 -7.858 1.00 0.00 C ATOM 179 CE LYS A 15 -4.236 -8.623 -9.320 1.00 0.00 C ATOM 180 NZ LYS A 15 -2.864 -8.065 -9.473 1.00 0.00 N ATOM 0 H LYS A 15 -8.997 -9.368 -5.872 1.00 0.00 H new ATOM 0 HA LYS A 15 -6.552 -7.704 -5.751 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.976 -8.910 -8.153 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.810 -7.609 -8.285 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.982 -10.077 -6.797 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.118 -10.180 -8.541 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.631 -7.844 -7.358 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.849 -9.412 -7.360 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.299 -9.580 -9.838 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.955 -7.956 -9.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.646 -7.951 -10.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.811 -7.140 -9.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.175 -8.714 -9.041 1.00 0.00 H new ATOM 194 N PRO A 16 -7.834 -5.601 -6.097 1.00 0.00 N ATOM 195 CA PRO A 16 -8.596 -4.350 -6.137 1.00 0.00 C ATOM 196 C PRO A 16 -9.004 -3.963 -7.554 1.00 0.00 C ATOM 197 O PRO A 16 -8.752 -4.701 -8.506 1.00 0.00 O ATOM 198 CB PRO A 16 -7.618 -3.321 -5.562 1.00 0.00 C ATOM 199 CG PRO A 16 -6.268 -3.889 -5.836 1.00 0.00 C ATOM 200 CD PRO A 16 -6.421 -5.382 -5.748 1.00 0.00 C ATOM 0 HA PRO A 16 -9.532 -4.426 -5.584 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -7.742 -2.348 -6.037 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -7.778 -3.177 -4.493 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.912 -3.591 -6.822 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.538 -3.528 -5.111 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -5.752 -5.896 -6.438 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -6.192 -5.751 -4.748 1.00 0.00 H new ATOM 208 N GLY A 17 -9.634 -2.800 -7.688 1.00 0.00 N ATOM 209 CA GLY A 17 -10.065 -2.336 -8.994 1.00 0.00 C ATOM 210 C GLY A 17 -11.424 -2.883 -9.383 1.00 0.00 C ATOM 211 O GLY A 17 -12.228 -2.185 -10.003 1.00 0.00 O ATOM 0 H GLY A 17 -9.854 -2.171 -6.916 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -10.101 -1.247 -8.996 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -9.330 -2.632 -9.742 1.00 0.00 H new ATOM 215 N HIS A 18 -11.683 -4.135 -9.020 1.00 0.00 N ATOM 216 CA HIS A 18 -12.954 -4.776 -9.337 1.00 0.00 C ATOM 217 C HIS A 18 -13.536 -5.466 -8.107 1.00 0.00 C ATOM 218 O HIS A 18 -12.909 -5.501 -7.048 1.00 0.00 O ATOM 219 CB HIS A 18 -12.771 -5.791 -10.466 1.00 0.00 C ATOM 220 CG HIS A 18 -11.923 -6.965 -10.084 1.00 0.00 C ATOM 221 ND1 HIS A 18 -10.546 -6.960 -10.172 1.00 0.00 N ATOM 222 CD2 HIS A 18 -12.263 -8.186 -9.608 1.00 0.00 C ATOM 223 CE1 HIS A 18 -10.077 -8.127 -9.769 1.00 0.00 C ATOM 224 NE2 HIS A 18 -11.098 -8.889 -9.421 1.00 0.00 N ATOM 0 H HIS A 18 -11.029 -4.726 -8.506 1.00 0.00 H new ATOM 0 HA HIS A 18 -13.650 -4.003 -9.663 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -13.750 -6.149 -10.784 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -12.320 -5.291 -11.323 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -9.979 -6.177 -10.497 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -13.264 -8.541 -9.412 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -9.035 -8.410 -9.731 1.00 0.00 H new ATOM 232 N TYR A 19 -14.738 -6.012 -8.254 1.00 0.00 N ATOM 233 CA TYR A 19 -15.406 -6.697 -7.154 1.00 0.00 C ATOM 234 C TYR A 19 -15.625 -8.171 -7.483 1.00 0.00 C ATOM 235 O TYR A 19 -15.503 -8.585 -8.636 1.00 0.00 O ATOM 236 CB TYR A 19 -16.747 -6.027 -6.847 1.00 0.00 C ATOM 237 CG TYR A 19 -17.467 -5.521 -8.076 1.00 0.00 C ATOM 238 CD1 TYR A 19 -16.891 -4.558 -8.895 1.00 0.00 C ATOM 239 CD2 TYR A 19 -18.723 -6.006 -8.418 1.00 0.00 C ATOM 240 CE1 TYR A 19 -17.545 -4.092 -10.019 1.00 0.00 C ATOM 241 CE2 TYR A 19 -19.384 -5.547 -9.541 1.00 0.00 C ATOM 242 CZ TYR A 19 -18.791 -4.590 -10.338 1.00 0.00 C ATOM 243 OH TYR A 19 -19.447 -4.130 -11.457 1.00 0.00 O ATOM 0 H TYR A 19 -15.270 -5.993 -9.124 1.00 0.00 H new ATOM 0 HA TYR A 19 -14.765 -6.631 -6.275 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -17.389 -6.739 -6.328 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -16.579 -5.193 -6.165 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -15.915 -4.167 -8.649 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -19.191 -6.754 -7.796 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -17.083 -3.342 -10.644 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -20.360 -5.935 -9.793 1.00 0.00 H new ATOM 0 HH TYR A 19 -20.312 -4.583 -11.539 1.00 0.00 H new ATOM 253 N ILE A 20 -15.951 -8.956 -6.462 1.00 0.00 N ATOM 254 CA ILE A 20 -16.189 -10.383 -6.642 1.00 0.00 C ATOM 255 C ILE A 20 -17.193 -10.636 -7.761 1.00 0.00 C ATOM 256 O ILE A 20 -17.295 -11.748 -8.280 1.00 0.00 O ATOM 257 CB ILE A 20 -16.707 -11.035 -5.346 1.00 0.00 C ATOM 258 CG1 ILE A 20 -17.090 -12.494 -5.602 1.00 0.00 C ATOM 259 CG2 ILE A 20 -17.895 -10.257 -4.801 1.00 0.00 C ATOM 260 CD1 ILE A 20 -16.886 -13.391 -4.401 1.00 0.00 C ATOM 0 H ILE A 20 -16.056 -8.628 -5.502 1.00 0.00 H new ATOM 0 HA ILE A 20 -15.232 -10.832 -6.908 1.00 0.00 H new ATOM 0 HB ILE A 20 -15.911 -11.013 -4.601 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -18.136 -12.539 -5.906 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -16.500 -12.876 -6.435 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -18.250 -10.730 -3.885 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -17.591 -9.232 -4.586 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -18.696 -10.251 -5.540 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -17.178 -14.410 -4.654 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -15.836 -13.376 -4.110 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -17.497 -13.034 -3.572 1.00 0.00 H new ATOM 272 N LYS A 21 -17.932 -9.596 -8.132 1.00 0.00 N ATOM 273 CA LYS A 21 -18.927 -9.702 -9.193 1.00 0.00 C ATOM 274 C LYS A 21 -18.325 -9.324 -10.542 1.00 0.00 C ATOM 275 O LYS A 21 -18.685 -9.891 -11.573 1.00 0.00 O ATOM 276 CB LYS A 21 -20.127 -8.803 -8.887 1.00 0.00 C ATOM 277 CG LYS A 21 -20.402 -8.640 -7.402 1.00 0.00 C ATOM 278 CD LYS A 21 -21.190 -9.815 -6.849 1.00 0.00 C ATOM 279 CE LYS A 21 -20.477 -11.134 -7.106 1.00 0.00 C ATOM 280 NZ LYS A 21 -20.789 -12.146 -6.059 1.00 0.00 N ATOM 0 H LYS A 21 -17.861 -8.669 -7.713 1.00 0.00 H new ATOM 0 HA LYS A 21 -19.261 -10.738 -9.242 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -19.955 -7.820 -9.326 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -21.013 -9.217 -9.369 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -19.458 -8.548 -6.864 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -20.956 -7.717 -7.233 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -21.338 -9.683 -5.777 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -22.179 -9.839 -7.307 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -20.769 -11.520 -8.083 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -19.401 -10.965 -7.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -20.284 -13.031 -6.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -20.488 -11.789 -5.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -21.813 -12.327 -6.045 1.00 0.00 H new ATOM 294 N ASN A 22 -17.406 -8.364 -10.528 1.00 0.00 N ATOM 295 CA ASN A 22 -16.754 -7.912 -11.751 1.00 0.00 C ATOM 296 C ASN A 22 -15.414 -8.615 -11.945 1.00 0.00 C ATOM 297 O ASN A 22 -14.621 -8.236 -12.808 1.00 0.00 O ATOM 298 CB ASN A 22 -16.547 -6.396 -11.713 1.00 0.00 C ATOM 299 CG ASN A 22 -15.580 -5.918 -12.779 1.00 0.00 C ATOM 300 OD1 ASN A 22 -14.703 -4.992 -12.409 1.00 0.00 O flip ATOM 301 ND2 ASN A 22 -15.622 -6.376 -13.921 1.00 0.00 N flip ATOM 0 H ASN A 22 -17.096 -7.884 -9.683 1.00 0.00 H new ATOM 0 HA ASN A 22 -17.401 -8.163 -12.592 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -17.507 -5.897 -11.847 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -16.173 -6.108 -10.731 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -16.313 -7.087 -14.160 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -14.965 -6.045 -14.628 1.00 0.00 H new ATOM 308 N CYS A 23 -15.168 -9.641 -11.138 1.00 0.00 N ATOM 309 CA CYS A 23 -13.925 -10.398 -11.220 1.00 0.00 C ATOM 310 C CYS A 23 -13.852 -11.185 -12.525 1.00 0.00 C ATOM 311 O CYS A 23 -14.808 -11.842 -12.937 1.00 0.00 O ATOM 312 CB CYS A 23 -13.804 -11.351 -10.029 1.00 0.00 C ATOM 313 SG CYS A 23 -12.224 -12.255 -9.957 1.00 0.00 S ATOM 0 H CYS A 23 -15.814 -9.968 -10.419 1.00 0.00 H new ATOM 0 HA CYS A 23 -13.096 -9.691 -11.196 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -13.927 -10.781 -9.108 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -14.621 -12.071 -10.069 1.00 0.00 H new ATOM 0 HG CYS A 23 -11.253 -11.416 -9.747 1.00 0.00 H new ATOM 318 N PRO A 24 -12.690 -11.118 -13.192 1.00 0.00 N ATOM 319 CA PRO A 24 -12.464 -11.818 -14.460 1.00 0.00 C ATOM 320 C PRO A 24 -12.386 -13.330 -14.281 1.00 0.00 C ATOM 321 O PRO A 24 -13.013 -14.087 -15.023 1.00 0.00 O ATOM 322 CB PRO A 24 -11.118 -11.266 -14.935 1.00 0.00 C ATOM 323 CG PRO A 24 -10.426 -10.830 -13.689 1.00 0.00 C ATOM 324 CD PRO A 24 -11.508 -10.353 -12.760 1.00 0.00 C ATOM 0 HA PRO A 24 -13.279 -11.657 -15.165 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.542 -12.027 -15.462 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -11.253 -10.433 -15.625 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -9.866 -11.653 -13.245 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.712 -10.034 -13.898 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -11.259 -10.552 -11.718 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -11.670 -9.279 -12.849 1.00 0.00 H new