USER MOD reduce.3.24.130724 H: found=0, std=0, add=123, rem=0, adj=8 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 169:sc= -2.5 USER MOD Set 1.2: A 13 CYS SG : rot -50:sc= -0.614 USER MOD Set 1.3: A 18 HIS : no HE2:sc= -3.44! K(o=-7.2!,f=-9.3) USER MOD Set 1.4: A 23 CYS SG : rot 66:sc= -0.637 USER MOD Single : A 9 THR OG1 : rot 26:sc= 0.241 USER MOD Single : A 15 LYS NZ :NH3+ -121:sc= -0.0174 (180deg=-0.372) 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= -1.28! C(o=-2.1!,f=-1.3!) USER MOD ----------------------------------------------------------------- ATOM 87 N THR A 9 -12.285 -4.708 -1.938 1.00 0.00 N ATOM 88 CA THR A 9 -11.493 -5.503 -2.867 1.00 0.00 C ATOM 89 C THR A 9 -12.208 -6.800 -3.230 1.00 0.00 C ATOM 90 O THR A 9 -12.993 -7.329 -2.443 1.00 0.00 O ATOM 91 CB THR A 9 -10.109 -5.841 -2.279 1.00 0.00 C ATOM 92 OG1 THR A 9 -9.516 -4.665 -1.717 1.00 0.00 O ATOM 93 CG2 THR A 9 -9.193 -6.416 -3.348 1.00 0.00 C ATOM 0 HA THR A 9 -11.361 -4.900 -3.765 1.00 0.00 H new ATOM 0 HB THR A 9 -10.243 -6.589 -1.498 1.00 0.00 H new ATOM 0 HG1 THR A 9 -10.221 -4.035 -1.457 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.222 -6.647 -2.910 1.00 0.00 H new ATOM 0 HG22 THR A 9 -9.634 -7.327 -3.753 1.00 0.00 H new ATOM 0 HG23 THR A 9 -9.066 -5.687 -4.148 1.00 0.00 H new ATOM 101 N CYS A 10 -11.931 -7.308 -4.426 1.00 0.00 N ATOM 102 CA CYS A 10 -12.548 -8.543 -4.894 1.00 0.00 C ATOM 103 C CYS A 10 -12.358 -9.665 -3.877 1.00 0.00 C ATOM 104 O CYS A 10 -11.238 -10.119 -3.639 1.00 0.00 O ATOM 105 CB CYS A 10 -11.953 -8.955 -6.242 1.00 0.00 C ATOM 106 SG CYS A 10 -12.550 -10.563 -6.858 1.00 0.00 S ATOM 0 H CYS A 10 -11.283 -6.883 -5.089 1.00 0.00 H new ATOM 0 HA CYS A 10 -13.616 -8.364 -5.015 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -12.185 -8.187 -6.980 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -10.867 -8.993 -6.152 1.00 0.00 H new ATOM 0 HG CYS A 10 -12.176 -10.720 -8.093 1.00 0.00 H new ATOM 111 N PHE A 11 -13.460 -10.108 -3.281 1.00 0.00 N ATOM 112 CA PHE A 11 -13.415 -11.176 -2.289 1.00 0.00 C ATOM 113 C PHE A 11 -13.209 -12.532 -2.959 1.00 0.00 C ATOM 114 O PHE A 11 -13.064 -13.553 -2.286 1.00 0.00 O ATOM 115 CB PHE A 11 -14.705 -11.192 -1.467 1.00 0.00 C ATOM 116 CG PHE A 11 -14.631 -12.071 -0.251 1.00 0.00 C ATOM 117 CD1 PHE A 11 -13.680 -11.840 0.730 1.00 0.00 C ATOM 118 CD2 PHE A 11 -15.512 -13.127 -0.089 1.00 0.00 C ATOM 119 CE1 PHE A 11 -13.609 -12.647 1.849 1.00 0.00 C ATOM 120 CE2 PHE A 11 -15.446 -13.938 1.028 1.00 0.00 C ATOM 121 CZ PHE A 11 -14.494 -13.697 1.999 1.00 0.00 C ATOM 0 H PHE A 11 -14.395 -9.744 -3.467 1.00 0.00 H new ATOM 0 HA PHE A 11 -12.572 -10.986 -1.625 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -14.941 -10.174 -1.156 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -15.525 -11.530 -2.100 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -12.986 -11.020 0.619 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -16.259 -13.319 -0.844 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -12.862 -12.457 2.606 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -16.138 -14.759 1.141 1.00 0.00 H new ATOM 0 HZ PHE A 11 -14.442 -14.328 2.874 1.00 0.00 H new ATOM 131 N ARG A 12 -13.198 -12.533 -4.288 1.00 0.00 N ATOM 132 CA ARG A 12 -13.012 -13.762 -5.049 1.00 0.00 C ATOM 133 C ARG A 12 -11.536 -14.144 -5.113 1.00 0.00 C ATOM 134 O ARG A 12 -11.116 -15.142 -4.527 1.00 0.00 O ATOM 135 CB ARG A 12 -13.569 -13.600 -6.465 1.00 0.00 C ATOM 136 CG ARG A 12 -13.962 -14.914 -7.119 1.00 0.00 C ATOM 137 CD ARG A 12 -14.714 -14.686 -8.421 1.00 0.00 C ATOM 138 NE ARG A 12 -14.991 -15.938 -9.120 1.00 0.00 N ATOM 139 CZ ARG A 12 -16.007 -16.739 -8.817 1.00 0.00 C ATOM 140 NH1 ARG A 12 -16.837 -16.420 -7.834 1.00 0.00 N ATOM 141 NH2 ARG A 12 -16.194 -17.862 -9.499 1.00 0.00 N ATOM 0 H ARG A 12 -13.316 -11.696 -4.860 1.00 0.00 H new ATOM 0 HA ARG A 12 -13.555 -14.559 -4.541 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -14.440 -12.946 -6.431 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -12.822 -13.104 -7.085 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -13.068 -15.507 -7.313 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -14.584 -15.490 -6.434 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -15.652 -14.172 -8.212 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -14.129 -14.032 -9.068 1.00 0.00 H new ATOM 0 HE ARG A 12 -14.371 -16.212 -9.882 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -16.697 -15.558 -7.308 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -17.616 -17.037 -7.604 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -15.558 -18.111 -10.256 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -16.974 -18.476 -9.266 1.00 0.00 H new ATOM 155 N CYS A 13 -10.753 -13.343 -5.828 1.00 0.00 N ATOM 156 CA CYS A 13 -9.324 -13.596 -5.970 1.00 0.00 C ATOM 157 C CYS A 13 -8.522 -12.748 -4.988 1.00 0.00 C ATOM 158 O CYS A 13 -7.428 -13.129 -4.572 1.00 0.00 O ATOM 159 CB CYS A 13 -8.873 -13.303 -7.403 1.00 0.00 C ATOM 160 SG CYS A 13 -8.942 -11.540 -7.858 1.00 0.00 S ATOM 0 H CYS A 13 -11.084 -12.512 -6.319 1.00 0.00 H new ATOM 0 HA CYS A 13 -9.142 -14.647 -5.747 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -7.851 -13.661 -7.531 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -9.498 -13.870 -8.093 1.00 0.00 H new ATOM 0 HG CYS A 13 -10.112 -11.059 -7.557 1.00 0.00 H new ATOM 165 N GLY A 14 -9.073 -11.595 -4.622 1.00 0.00 N ATOM 166 CA GLY A 14 -8.395 -10.711 -3.692 1.00 0.00 C ATOM 167 C GLY A 14 -7.601 -9.628 -4.396 1.00 0.00 C ATOM 168 O GLY A 14 -6.516 -9.255 -3.951 1.00 0.00 O ATOM 0 H GLY A 14 -9.977 -11.257 -4.953 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -9.130 -10.248 -3.033 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.726 -11.296 -3.061 1.00 0.00 H new ATOM 172 N LYS A 15 -8.142 -9.122 -5.499 1.00 0.00 N ATOM 173 CA LYS A 15 -7.478 -8.076 -6.267 1.00 0.00 C ATOM 174 C LYS A 15 -8.345 -6.824 -6.344 1.00 0.00 C ATOM 175 O LYS A 15 -9.542 -6.885 -6.623 1.00 0.00 O ATOM 176 CB LYS A 15 -7.158 -8.575 -7.678 1.00 0.00 C ATOM 177 CG LYS A 15 -6.055 -9.619 -7.718 1.00 0.00 C ATOM 178 CD LYS A 15 -4.679 -8.979 -7.663 1.00 0.00 C ATOM 179 CE LYS A 15 -4.135 -8.705 -9.057 1.00 0.00 C ATOM 180 NZ LYS A 15 -4.424 -7.313 -9.501 1.00 0.00 N ATOM 0 H LYS A 15 -9.040 -9.420 -5.881 1.00 0.00 H new ATOM 0 HA LYS A 15 -6.548 -7.822 -5.759 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -8.061 -8.996 -8.119 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.866 -7.727 -8.297 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.172 -10.305 -6.879 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.146 -10.211 -8.629 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.733 -8.046 -7.102 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.993 -9.634 -7.126 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -3.058 -8.873 -9.066 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.574 -9.410 -9.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -4.984 -7.337 -10.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -4.960 -6.817 -8.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -3.530 -6.812 -9.676 1.00 0.00 H new ATOM 194 N PRO A 16 -7.728 -5.659 -6.093 1.00 0.00 N ATOM 195 CA PRO A 16 -8.425 -4.370 -6.130 1.00 0.00 C ATOM 196 C PRO A 16 -8.823 -3.967 -7.546 1.00 0.00 C ATOM 197 O PRO A 16 -8.505 -4.660 -8.512 1.00 0.00 O ATOM 198 CB PRO A 16 -7.392 -3.392 -5.565 1.00 0.00 C ATOM 199 CG PRO A 16 -6.075 -4.028 -5.847 1.00 0.00 C ATOM 200 CD PRO A 16 -6.303 -5.511 -5.754 1.00 0.00 C ATOM 0 HA PRO A 16 -9.359 -4.395 -5.569 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -7.470 -2.415 -6.042 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -7.536 -3.238 -4.496 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.711 -3.750 -6.836 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.323 -3.703 -5.128 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -5.666 -6.060 -6.448 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -6.086 -5.889 -4.755 1.00 0.00 H new ATOM 208 N GLY A 17 -9.519 -2.840 -7.662 1.00 0.00 N ATOM 209 CA GLY A 17 -9.948 -2.364 -8.964 1.00 0.00 C ATOM 210 C GLY A 17 -11.312 -2.896 -9.356 1.00 0.00 C ATOM 211 O GLY A 17 -12.136 -2.167 -9.907 1.00 0.00 O ATOM 0 H GLY A 17 -9.793 -2.248 -6.878 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -9.975 -1.274 -8.958 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -9.216 -2.661 -9.715 1.00 0.00 H new ATOM 215 N HIS A 18 -11.550 -4.173 -9.073 1.00 0.00 N ATOM 216 CA HIS A 18 -12.824 -4.804 -9.401 1.00 0.00 C ATOM 217 C HIS A 18 -13.420 -5.493 -8.177 1.00 0.00 C ATOM 218 O HIS A 18 -12.793 -5.552 -7.119 1.00 0.00 O ATOM 219 CB HIS A 18 -12.640 -5.816 -10.532 1.00 0.00 C ATOM 220 CG HIS A 18 -11.865 -7.032 -10.127 1.00 0.00 C ATOM 221 ND1 HIS A 18 -10.491 -7.111 -10.211 1.00 0.00 N ATOM 222 CD2 HIS A 18 -12.279 -8.221 -9.633 1.00 0.00 C ATOM 223 CE1 HIS A 18 -10.094 -8.297 -9.787 1.00 0.00 C ATOM 224 NE2 HIS A 18 -11.160 -8.990 -9.429 1.00 0.00 N ATOM 0 H HIS A 18 -10.878 -4.791 -8.618 1.00 0.00 H new ATOM 0 HA HIS A 18 -13.513 -4.026 -9.729 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -13.620 -6.124 -10.896 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -12.130 -5.330 -11.364 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -9.877 -6.369 -10.548 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -13.300 -8.512 -9.436 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -9.072 -8.642 -9.741 1.00 0.00 H new ATOM 232 N TYR A 19 -14.633 -6.013 -8.329 1.00 0.00 N ATOM 233 CA TYR A 19 -15.314 -6.695 -7.236 1.00 0.00 C ATOM 234 C TYR A 19 -15.532 -8.169 -7.565 1.00 0.00 C ATOM 235 O TYR A 19 -15.432 -8.579 -8.722 1.00 0.00 O ATOM 236 CB TYR A 19 -16.656 -6.023 -6.944 1.00 0.00 C ATOM 237 CG TYR A 19 -17.281 -5.367 -8.156 1.00 0.00 C ATOM 238 CD1 TYR A 19 -16.626 -4.344 -8.831 1.00 0.00 C ATOM 239 CD2 TYR A 19 -18.525 -5.769 -8.624 1.00 0.00 C ATOM 240 CE1 TYR A 19 -17.192 -3.742 -9.937 1.00 0.00 C ATOM 241 CE2 TYR A 19 -19.098 -5.173 -9.731 1.00 0.00 C ATOM 242 CZ TYR A 19 -18.428 -4.160 -10.383 1.00 0.00 C ATOM 243 OH TYR A 19 -18.997 -3.563 -11.485 1.00 0.00 O ATOM 0 H TYR A 19 -15.164 -5.975 -9.199 1.00 0.00 H new ATOM 0 HA TYR A 19 -14.682 -6.628 -6.351 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -17.347 -6.767 -6.547 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -16.515 -5.272 -6.167 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -15.658 -4.014 -8.484 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -19.054 -6.561 -8.114 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -16.670 -2.948 -10.450 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -20.065 -5.499 -10.084 1.00 0.00 H new ATOM 0 HH TYR A 19 -19.867 -3.975 -11.667 1.00 0.00 H new ATOM 253 N ILE A 20 -15.830 -8.960 -6.539 1.00 0.00 N ATOM 254 CA ILE A 20 -16.063 -10.387 -6.719 1.00 0.00 C ATOM 255 C ILE A 20 -17.114 -10.641 -7.795 1.00 0.00 C ATOM 256 O ILE A 20 -17.104 -11.681 -8.454 1.00 0.00 O ATOM 257 CB ILE A 20 -16.518 -11.053 -5.406 1.00 0.00 C ATOM 258 CG1 ILE A 20 -16.967 -12.492 -5.668 1.00 0.00 C ATOM 259 CG2 ILE A 20 -17.640 -10.250 -4.766 1.00 0.00 C ATOM 260 CD1 ILE A 20 -16.730 -13.421 -4.497 1.00 0.00 C ATOM 0 H ILE A 20 -15.916 -8.636 -5.575 1.00 0.00 H new ATOM 0 HA ILE A 20 -15.115 -10.825 -7.030 1.00 0.00 H new ATOM 0 HB ILE A 20 -15.675 -11.076 -4.716 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -18.029 -12.494 -5.914 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -16.437 -12.876 -6.540 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -17.951 -10.733 -3.840 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -17.288 -9.242 -4.549 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -18.487 -10.199 -5.450 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -17.072 -14.424 -4.753 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -15.665 -13.449 -4.264 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -17.282 -13.060 -3.629 1.00 0.00 H new ATOM 272 N LYS A 21 -18.019 -9.684 -7.968 1.00 0.00 N ATOM 273 CA LYS A 21 -19.075 -9.801 -8.966 1.00 0.00 C ATOM 274 C LYS A 21 -18.562 -9.412 -10.349 1.00 0.00 C ATOM 275 O LYS A 21 -19.044 -9.915 -11.364 1.00 0.00 O ATOM 276 CB LYS A 21 -20.265 -8.917 -8.585 1.00 0.00 C ATOM 277 CG LYS A 21 -20.420 -8.719 -7.087 1.00 0.00 C ATOM 278 CD LYS A 21 -21.806 -8.206 -6.734 1.00 0.00 C ATOM 279 CE LYS A 21 -22.869 -9.271 -6.959 1.00 0.00 C ATOM 280 NZ LYS A 21 -24.192 -8.858 -6.413 1.00 0.00 N ATOM 0 H LYS A 21 -18.042 -8.818 -7.429 1.00 0.00 H new ATOM 0 HA LYS A 21 -19.398 -10.842 -8.997 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -20.151 -7.944 -9.062 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -21.178 -9.361 -8.981 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -20.239 -9.663 -6.573 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -19.668 -8.014 -6.732 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -21.823 -7.888 -5.691 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -22.035 -7.328 -7.338 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -22.963 -9.471 -8.026 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -22.556 -10.202 -6.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -24.889 -9.610 -6.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -24.109 -8.692 -5.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -24.503 -7.983 -6.881 1.00 0.00 H new ATOM 294 N ASN A 22 -17.582 -8.515 -10.382 1.00 0.00 N ATOM 295 CA ASN A 22 -17.003 -8.061 -11.641 1.00 0.00 C ATOM 296 C ASN A 22 -15.620 -8.668 -11.855 1.00 0.00 C ATOM 297 O ASN A 22 -14.834 -8.178 -12.665 1.00 0.00 O ATOM 298 CB ASN A 22 -16.911 -6.534 -11.662 1.00 0.00 C ATOM 299 CG ASN A 22 -16.163 -6.016 -12.875 1.00 0.00 C ATOM 300 OD1 ASN A 22 -15.140 -5.204 -12.637 1.00 0.00 O flip ATOM 301 ND2 ASN A 22 -16.501 -6.343 -14.013 1.00 0.00 N flip ATOM 0 H ASN A 22 -17.172 -8.088 -9.551 1.00 0.00 H new ATOM 0 HA ASN A 22 -17.654 -8.391 -12.451 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -17.916 -6.112 -11.651 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -16.411 -6.190 -10.756 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -17.294 -6.970 -14.149 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -15.988 -5.987 -14.819 1.00 0.00 H new ATOM 308 N CYS A 23 -15.330 -9.738 -11.123 1.00 0.00 N ATOM 309 CA CYS A 23 -14.043 -10.414 -11.231 1.00 0.00 C ATOM 310 C CYS A 23 -13.934 -11.168 -12.553 1.00 0.00 C ATOM 311 O CYS A 23 -14.853 -11.872 -12.973 1.00 0.00 O ATOM 312 CB CYS A 23 -13.852 -11.382 -10.062 1.00 0.00 C ATOM 313 SG CYS A 23 -12.209 -12.169 -10.009 1.00 0.00 S ATOM 0 H CYS A 23 -15.970 -10.156 -10.448 1.00 0.00 H new ATOM 0 HA CYS A 23 -13.259 -9.657 -11.199 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -14.016 -10.844 -9.128 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -14.614 -12.159 -10.120 1.00 0.00 H new ATOM 0 HG CYS A 23 -11.302 -11.265 -9.784 1.00 0.00 H new ATOM 318 N PRO A 24 -12.784 -11.018 -13.227 1.00 0.00 N ATOM 319 CA PRO A 24 -12.526 -11.677 -14.510 1.00 0.00 C ATOM 320 C PRO A 24 -12.358 -13.186 -14.364 1.00 0.00 C ATOM 321 O PRO A 24 -12.881 -13.961 -15.165 1.00 0.00 O ATOM 322 CB PRO A 24 -11.218 -11.037 -14.982 1.00 0.00 C ATOM 323 CG PRO A 24 -10.544 -10.587 -13.732 1.00 0.00 C ATOM 324 CD PRO A 24 -11.645 -10.194 -12.786 1.00 0.00 C ATOM 0 HA PRO A 24 -13.355 -11.549 -15.207 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.602 -11.751 -15.529 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -11.407 -10.199 -15.654 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -9.933 -11.384 -13.310 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.879 -9.746 -13.928 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -11.377 -10.400 -11.750 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -11.870 -9.129 -12.851 1.00 0.00 H new