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 171:sc= -3.52 USER MOD Set 1.2: A 13 CYS SG : rot -49:sc= -0.0121 USER MOD Set 1.3: A 18 HIS : no HE2:sc= -3.27! K(o=-6.9!,f=-8) USER MOD Set 1.4: A 23 CYS SG : rot 66:sc= -0.142 USER MOD Single : A 9 THR OG1 : rot 22:sc= 0.251 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= -1.23! C(o=-2.1!,f=-1.2!) USER MOD ----------------------------------------------------------------- ATOM 87 N THR A 9 -12.215 -4.763 -1.905 1.00 0.00 N ATOM 88 CA THR A 9 -11.413 -5.571 -2.815 1.00 0.00 C ATOM 89 C THR A 9 -12.151 -6.842 -3.219 1.00 0.00 C ATOM 90 O THR A 9 -12.985 -7.352 -2.470 1.00 0.00 O ATOM 91 CB THR A 9 -10.062 -5.955 -2.182 1.00 0.00 C ATOM 92 OG1 THR A 9 -9.464 -4.808 -1.569 1.00 0.00 O ATOM 93 CG2 THR A 9 -9.117 -6.527 -3.229 1.00 0.00 C ATOM 0 HA THR A 9 -11.232 -4.963 -3.701 1.00 0.00 H new ATOM 0 HB THR A 9 -10.245 -6.717 -1.425 1.00 0.00 H new ATOM 0 HG1 THR A 9 -10.157 -4.145 -1.369 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.170 -6.791 -2.759 1.00 0.00 H new ATOM 0 HG22 THR A 9 -9.562 -7.417 -3.673 1.00 0.00 H new ATOM 0 HG23 THR A 9 -8.942 -5.783 -4.006 1.00 0.00 H new ATOM 101 N CYS A 10 -11.840 -7.349 -4.407 1.00 0.00 N ATOM 102 CA CYS A 10 -12.474 -8.561 -4.911 1.00 0.00 C ATOM 103 C CYS A 10 -12.334 -9.705 -3.911 1.00 0.00 C ATOM 104 O CYS A 10 -11.233 -10.195 -3.661 1.00 0.00 O ATOM 105 CB CYS A 10 -11.858 -8.964 -6.252 1.00 0.00 C ATOM 106 SG CYS A 10 -12.536 -10.504 -6.950 1.00 0.00 S ATOM 0 H CYS A 10 -11.152 -6.939 -5.039 1.00 0.00 H new ATOM 0 HA CYS A 10 -13.535 -8.354 -5.053 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -12.011 -8.156 -6.967 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -10.781 -9.078 -6.125 1.00 0.00 H new ATOM 0 HG CYS A 10 -12.106 -10.655 -8.167 1.00 0.00 H new ATOM 111 N PHE A 11 -13.459 -10.126 -3.341 1.00 0.00 N ATOM 112 CA PHE A 11 -13.462 -11.211 -2.367 1.00 0.00 C ATOM 113 C PHE A 11 -13.349 -12.565 -3.062 1.00 0.00 C ATOM 114 O PHE A 11 -13.488 -13.612 -2.430 1.00 0.00 O ATOM 115 CB PHE A 11 -14.738 -11.163 -1.523 1.00 0.00 C ATOM 116 CG PHE A 11 -14.675 -12.022 -0.293 1.00 0.00 C ATOM 117 CD1 PHE A 11 -13.625 -11.896 0.603 1.00 0.00 C ATOM 118 CD2 PHE A 11 -15.665 -12.955 -0.032 1.00 0.00 C ATOM 119 CE1 PHE A 11 -13.565 -12.686 1.736 1.00 0.00 C ATOM 120 CE2 PHE A 11 -15.610 -13.748 1.100 1.00 0.00 C ATOM 121 CZ PHE A 11 -14.559 -13.612 1.985 1.00 0.00 C ATOM 0 H PHE A 11 -14.379 -9.732 -3.537 1.00 0.00 H new ATOM 0 HA PHE A 11 -12.598 -11.084 -1.715 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -14.930 -10.132 -1.227 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -15.582 -11.481 -2.136 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -12.845 -11.173 0.414 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -16.490 -13.065 -0.721 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -12.741 -12.579 2.426 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -16.388 -14.472 1.291 1.00 0.00 H new ATOM 0 HZ PHE A 11 -14.514 -14.229 2.870 1.00 0.00 H new ATOM 131 N ARG A 12 -13.096 -12.535 -4.366 1.00 0.00 N ATOM 132 CA ARG A 12 -12.965 -13.759 -5.147 1.00 0.00 C ATOM 133 C ARG A 12 -11.506 -14.195 -5.236 1.00 0.00 C ATOM 134 O ARG A 12 -11.129 -15.249 -4.723 1.00 0.00 O ATOM 135 CB ARG A 12 -13.533 -13.555 -6.553 1.00 0.00 C ATOM 136 CG ARG A 12 -13.941 -14.849 -7.239 1.00 0.00 C ATOM 137 CD ARG A 12 -14.751 -14.580 -8.498 1.00 0.00 C ATOM 138 NE ARG A 12 -15.446 -15.776 -8.966 1.00 0.00 N ATOM 139 CZ ARG A 12 -16.631 -16.164 -8.509 1.00 0.00 C ATOM 140 NH1 ARG A 12 -17.250 -15.454 -7.576 1.00 0.00 N ATOM 141 NH2 ARG A 12 -17.200 -17.264 -8.985 1.00 0.00 N ATOM 0 H ARG A 12 -12.978 -11.677 -4.904 1.00 0.00 H new ATOM 0 HA ARG A 12 -13.530 -14.543 -4.643 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -14.399 -12.896 -6.494 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -12.788 -13.048 -7.166 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -13.050 -15.424 -7.494 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -14.527 -15.458 -6.551 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -15.478 -13.792 -8.300 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -14.090 -14.214 -9.283 1.00 0.00 H new ATOM 0 HE ARG A 12 -14.996 -16.345 -9.684 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -16.816 -14.608 -7.208 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -18.160 -15.754 -7.227 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -16.727 -17.813 -9.703 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -18.110 -17.561 -8.633 1.00 0.00 H new ATOM 155 N CYS A 13 -10.688 -13.376 -5.889 1.00 0.00 N ATOM 156 CA CYS A 13 -9.270 -13.677 -6.046 1.00 0.00 C ATOM 157 C CYS A 13 -8.431 -12.877 -5.053 1.00 0.00 C ATOM 158 O CYS A 13 -7.377 -13.328 -4.610 1.00 0.00 O ATOM 159 CB CYS A 13 -8.817 -13.371 -7.475 1.00 0.00 C ATOM 160 SG CYS A 13 -8.953 -11.614 -7.938 1.00 0.00 S ATOM 0 H CYS A 13 -10.983 -12.499 -6.318 1.00 0.00 H new ATOM 0 HA CYS A 13 -9.125 -14.739 -5.845 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -7.780 -13.687 -7.592 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -9.412 -13.966 -8.168 1.00 0.00 H new ATOM 0 HG CYS A 13 -10.131 -11.170 -7.614 1.00 0.00 H new ATOM 165 N GLY A 14 -8.909 -11.685 -4.709 1.00 0.00 N ATOM 166 CA GLY A 14 -8.192 -10.841 -3.771 1.00 0.00 C ATOM 167 C GLY A 14 -7.444 -9.715 -4.459 1.00 0.00 C ATOM 168 O GLY A 14 -6.329 -9.370 -4.067 1.00 0.00 O ATOM 0 H GLY A 14 -9.780 -11.289 -5.063 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -8.897 -10.420 -3.054 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.486 -11.449 -3.205 1.00 0.00 H new ATOM 172 N LYS A 15 -8.058 -9.141 -5.488 1.00 0.00 N ATOM 173 CA LYS A 15 -7.445 -8.048 -6.233 1.00 0.00 C ATOM 174 C LYS A 15 -8.389 -6.853 -6.322 1.00 0.00 C ATOM 175 O LYS A 15 -9.565 -6.985 -6.659 1.00 0.00 O ATOM 176 CB LYS A 15 -7.061 -8.514 -7.639 1.00 0.00 C ATOM 177 CG LYS A 15 -5.933 -9.531 -7.657 1.00 0.00 C ATOM 178 CD LYS A 15 -4.576 -8.857 -7.769 1.00 0.00 C ATOM 179 CE LYS A 15 -4.157 -8.687 -9.221 1.00 0.00 C ATOM 180 NZ LYS A 15 -2.700 -8.405 -9.348 1.00 0.00 N ATOM 0 H LYS A 15 -8.981 -9.415 -5.825 1.00 0.00 H new ATOM 0 HA LYS A 15 -6.545 -7.739 -5.701 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.937 -8.948 -8.121 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.767 -7.648 -8.232 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.968 -10.131 -6.748 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.071 -10.214 -8.495 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.611 -7.882 -7.283 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.829 -9.450 -7.241 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.402 -9.591 -9.778 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.725 -7.872 -9.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.454 -8.296 -10.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.470 -7.528 -8.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.157 -9.194 -8.942 1.00 0.00 H new ATOM 194 N PRO A 16 -7.863 -5.659 -6.014 1.00 0.00 N ATOM 195 CA PRO A 16 -8.641 -4.417 -6.054 1.00 0.00 C ATOM 196 C PRO A 16 -8.999 -4.002 -7.477 1.00 0.00 C ATOM 197 O PRO A 16 -8.732 -4.731 -8.432 1.00 0.00 O ATOM 198 CB PRO A 16 -7.702 -3.389 -5.418 1.00 0.00 C ATOM 199 CG PRO A 16 -6.334 -3.931 -5.651 1.00 0.00 C ATOM 200 CD PRO A 16 -6.467 -5.428 -5.604 1.00 0.00 C ATOM 0 HA PRO A 16 -9.596 -4.518 -5.539 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -7.822 -2.407 -5.875 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -7.906 -3.272 -4.354 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.944 -3.604 -6.615 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.639 -3.577 -4.889 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -5.764 -5.915 -6.279 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -6.272 -5.818 -4.605 1.00 0.00 H new ATOM 208 N GLY A 17 -9.603 -2.826 -7.612 1.00 0.00 N ATOM 209 CA GLY A 17 -9.987 -2.335 -8.923 1.00 0.00 C ATOM 210 C GLY A 17 -11.316 -2.898 -9.387 1.00 0.00 C ATOM 211 O GLY A 17 -12.096 -2.208 -10.044 1.00 0.00 O ATOM 0 H GLY A 17 -9.834 -2.204 -6.837 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -10.046 -1.247 -8.897 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -9.214 -2.595 -9.646 1.00 0.00 H new ATOM 215 N HIS A 18 -11.575 -4.157 -9.046 1.00 0.00 N ATOM 216 CA HIS A 18 -12.818 -4.813 -9.434 1.00 0.00 C ATOM 217 C HIS A 18 -13.440 -5.543 -8.247 1.00 0.00 C ATOM 218 O HIS A 18 -12.780 -5.775 -7.233 1.00 0.00 O ATOM 219 CB HIS A 18 -12.566 -5.797 -10.577 1.00 0.00 C ATOM 220 CG HIS A 18 -11.770 -6.998 -10.169 1.00 0.00 C ATOM 221 ND1 HIS A 18 -10.394 -7.049 -10.242 1.00 0.00 N ATOM 222 CD2 HIS A 18 -12.164 -8.197 -9.681 1.00 0.00 C ATOM 223 CE1 HIS A 18 -9.976 -8.228 -9.817 1.00 0.00 C ATOM 224 NE2 HIS A 18 -11.031 -8.943 -9.470 1.00 0.00 N ATOM 0 H HIS A 18 -10.941 -4.742 -8.502 1.00 0.00 H new ATOM 0 HA HIS A 18 -13.514 -4.046 -9.773 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -13.524 -6.126 -10.980 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -12.042 -5.280 -11.381 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -9.793 -6.294 -10.573 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -13.181 -8.509 -9.493 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -8.947 -8.552 -9.763 1.00 0.00 H new ATOM 232 N TYR A 19 -14.711 -5.903 -8.380 1.00 0.00 N ATOM 233 CA TYR A 19 -15.423 -6.604 -7.317 1.00 0.00 C ATOM 234 C TYR A 19 -15.618 -8.075 -7.671 1.00 0.00 C ATOM 235 O TYR A 19 -15.564 -8.456 -8.840 1.00 0.00 O ATOM 236 CB TYR A 19 -16.779 -5.944 -7.062 1.00 0.00 C ATOM 237 CG TYR A 19 -17.394 -5.326 -8.297 1.00 0.00 C ATOM 238 CD1 TYR A 19 -16.821 -4.211 -8.898 1.00 0.00 C ATOM 239 CD2 TYR A 19 -18.547 -5.854 -8.862 1.00 0.00 C ATOM 240 CE1 TYR A 19 -17.379 -3.642 -10.026 1.00 0.00 C ATOM 241 CE2 TYR A 19 -19.112 -5.292 -9.991 1.00 0.00 C ATOM 242 CZ TYR A 19 -18.524 -4.186 -10.569 1.00 0.00 C ATOM 243 OH TYR A 19 -19.084 -3.623 -11.693 1.00 0.00 O ATOM 0 H TYR A 19 -15.270 -5.721 -9.213 1.00 0.00 H new ATOM 0 HA TYR A 19 -14.822 -6.544 -6.410 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -17.465 -6.688 -6.658 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -16.661 -5.173 -6.301 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -15.924 -3.782 -8.476 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -19.011 -6.719 -8.411 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -16.921 -2.776 -10.480 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -20.009 -5.716 -10.418 1.00 0.00 H new ATOM 0 HH TYR A 19 -19.885 -4.127 -11.947 1.00 0.00 H new ATOM 253 N ILE A 20 -15.846 -8.896 -6.651 1.00 0.00 N ATOM 254 CA ILE A 20 -16.052 -10.325 -6.853 1.00 0.00 C ATOM 255 C ILE A 20 -17.065 -10.583 -7.963 1.00 0.00 C ATOM 256 O ILE A 20 -16.944 -11.547 -8.719 1.00 0.00 O ATOM 257 CB ILE A 20 -16.535 -11.012 -5.563 1.00 0.00 C ATOM 258 CG1 ILE A 20 -16.964 -12.452 -5.855 1.00 0.00 C ATOM 259 CG2 ILE A 20 -17.681 -10.228 -4.942 1.00 0.00 C ATOM 260 CD1 ILE A 20 -16.801 -13.382 -4.674 1.00 0.00 C ATOM 0 H ILE A 20 -15.893 -8.596 -5.677 1.00 0.00 H new ATOM 0 HA ILE A 20 -15.088 -10.745 -7.139 1.00 0.00 H new ATOM 0 HB ILE A 20 -15.710 -11.036 -4.852 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -18.008 -12.455 -6.168 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -16.379 -12.834 -6.692 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -18.011 -10.727 -4.031 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -17.344 -9.220 -4.702 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -18.510 -10.175 -5.648 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -17.124 -14.385 -4.953 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -15.753 -13.409 -4.374 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -17.408 -13.024 -3.842 1.00 0.00 H new ATOM 272 N LYS A 21 -18.066 -9.713 -8.057 1.00 0.00 N ATOM 273 CA LYS A 21 -19.100 -9.844 -9.077 1.00 0.00 C ATOM 274 C LYS A 21 -18.557 -9.474 -10.453 1.00 0.00 C ATOM 275 O LYS A 21 -18.988 -10.020 -11.468 1.00 0.00 O ATOM 276 CB LYS A 21 -20.298 -8.955 -8.734 1.00 0.00 C ATOM 277 CG LYS A 21 -20.421 -8.645 -7.252 1.00 0.00 C ATOM 278 CD LYS A 21 -21.766 -8.020 -6.923 1.00 0.00 C ATOM 279 CE LYS A 21 -21.844 -6.579 -7.406 1.00 0.00 C ATOM 280 NZ LYS A 21 -23.178 -5.975 -7.138 1.00 0.00 N ATOM 0 H LYS A 21 -18.183 -8.910 -7.439 1.00 0.00 H new ATOM 0 HA LYS A 21 -19.422 -10.885 -9.101 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -20.215 -8.019 -9.287 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -21.212 -9.445 -9.071 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -20.294 -9.562 -6.676 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -19.621 -7.967 -6.953 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -22.562 -8.603 -7.385 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -21.930 -8.053 -5.846 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -21.072 -5.988 -6.912 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -21.637 -6.543 -8.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -23.190 -4.994 -7.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -23.912 -6.523 -7.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -23.365 -5.986 -6.115 1.00 0.00 H new ATOM 294 N ASN A 22 -17.607 -8.545 -10.480 1.00 0.00 N ATOM 295 CA ASN A 22 -17.004 -8.104 -11.733 1.00 0.00 C ATOM 296 C ASN A 22 -15.608 -8.695 -11.902 1.00 0.00 C ATOM 297 O ASN A 22 -14.808 -8.207 -12.702 1.00 0.00 O ATOM 298 CB ASN A 22 -16.933 -6.576 -11.778 1.00 0.00 C ATOM 299 CG ASN A 22 -16.166 -6.069 -12.984 1.00 0.00 C ATOM 300 OD1 ASN A 22 -15.103 -5.312 -12.733 1.00 0.00 O flip ATOM 301 ND2 ASN A 22 -16.524 -6.355 -14.127 1.00 0.00 N flip ATOM 0 H ASN A 22 -17.238 -8.083 -9.649 1.00 0.00 H new ATOM 0 HA ASN A 22 -17.630 -8.456 -12.553 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -17.944 -6.168 -11.796 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -16.458 -6.210 -10.868 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -17.347 -6.940 -14.272 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -15.997 -6.007 -14.928 1.00 0.00 H new ATOM 308 N CYS A 23 -15.321 -9.748 -11.144 1.00 0.00 N ATOM 309 CA CYS A 23 -14.022 -10.407 -11.210 1.00 0.00 C ATOM 310 C CYS A 23 -13.859 -11.160 -12.527 1.00 0.00 C ATOM 311 O CYS A 23 -14.720 -11.940 -12.935 1.00 0.00 O ATOM 312 CB CYS A 23 -13.856 -11.371 -10.034 1.00 0.00 C ATOM 313 SG CYS A 23 -12.267 -12.261 -10.020 1.00 0.00 S ATOM 0 H CYS A 23 -15.971 -10.163 -10.477 1.00 0.00 H new ATOM 0 HA CYS A 23 -13.250 -9.639 -11.154 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -13.955 -10.812 -9.103 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -14.667 -12.098 -10.057 1.00 0.00 H new ATOM 0 HG CYS A 23 -11.298 -11.416 -9.827 1.00 0.00 H new ATOM 318 N PRO A 24 -12.729 -10.922 -13.208 1.00 0.00 N ATOM 319 CA PRO A 24 -12.426 -11.569 -14.489 1.00 0.00 C ATOM 320 C PRO A 24 -12.135 -13.057 -14.332 1.00 0.00 C ATOM 321 O PRO A 24 -12.227 -13.823 -15.292 1.00 0.00 O ATOM 322 CB PRO A 24 -11.178 -10.827 -14.974 1.00 0.00 C ATOM 323 CG PRO A 24 -10.536 -10.314 -13.732 1.00 0.00 C ATOM 324 CD PRO A 24 -11.659 -10.004 -12.782 1.00 0.00 C ATOM 0 HA PRO A 24 -13.266 -11.516 -15.182 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.509 -11.492 -15.520 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -11.439 -10.013 -15.650 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -9.860 -11.056 -13.308 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.943 -9.423 -13.939 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -11.369 -10.178 -11.746 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -11.971 -8.962 -12.855 1.00 0.00 H new