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 170:sc= -1.36 USER MOD Set 1.2: A 13 CYS SG : rot -51:sc= -0.442 USER MOD Set 1.3: A 18 HIS : no HE2:sc= -1.95! K(o=-4.1!,f=-7.4) USER MOD Set 1.4: A 23 CYS SG : rot 60:sc= -0.319 USER MOD Single : A 9 THR OG1 : rot 34:sc= 0.172 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+ -128:sc= -1.08 (180deg=-3.12!) USER MOD Single : A 22 ASN :FLIP amide:sc= -1.26! C(o=-2!,f=-1.3!) USER MOD ----------------------------------------------------------------- ATOM 87 N THR A 9 -12.038 -4.695 -1.706 1.00 0.00 N ATOM 88 CA THR A 9 -11.295 -5.483 -2.681 1.00 0.00 C ATOM 89 C THR A 9 -12.040 -6.766 -3.033 1.00 0.00 C ATOM 90 O THR A 9 -12.810 -7.290 -2.227 1.00 0.00 O ATOM 91 CB THR A 9 -9.891 -5.843 -2.161 1.00 0.00 C ATOM 92 OG1 THR A 9 -9.234 -4.669 -1.670 1.00 0.00 O ATOM 93 CG2 THR A 9 -9.053 -6.478 -3.260 1.00 0.00 C ATOM 0 HA THR A 9 -11.195 -4.867 -3.575 1.00 0.00 H new ATOM 0 HB THR A 9 -10.002 -6.562 -1.350 1.00 0.00 H new ATOM 0 HG1 THR A 9 -9.896 -4.066 -1.272 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.066 -6.724 -2.869 1.00 0.00 H new ATOM 0 HG22 THR A 9 -9.541 -7.388 -3.610 1.00 0.00 H new ATOM 0 HG23 THR A 9 -8.951 -5.779 -4.090 1.00 0.00 H new ATOM 101 N CYS A 10 -11.804 -7.269 -4.240 1.00 0.00 N ATOM 102 CA CYS A 10 -12.452 -8.492 -4.698 1.00 0.00 C ATOM 103 C CYS A 10 -12.251 -9.624 -3.695 1.00 0.00 C ATOM 104 O CYS A 10 -11.125 -10.057 -3.448 1.00 0.00 O ATOM 105 CB CYS A 10 -11.901 -8.904 -6.065 1.00 0.00 C ATOM 106 SG CYS A 10 -12.611 -10.450 -6.718 1.00 0.00 S ATOM 0 H CYS A 10 -11.169 -6.849 -4.918 1.00 0.00 H new ATOM 0 HA CYS A 10 -13.520 -8.295 -4.787 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -12.089 -8.101 -6.778 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -10.819 -9.017 -5.990 1.00 0.00 H new ATOM 0 HG CYS A 10 -12.245 -10.607 -7.956 1.00 0.00 H new ATOM 111 N PHE A 11 -13.350 -10.099 -3.118 1.00 0.00 N ATOM 112 CA PHE A 11 -13.295 -11.179 -2.141 1.00 0.00 C ATOM 113 C PHE A 11 -13.168 -12.533 -2.833 1.00 0.00 C ATOM 114 O PHE A 11 -13.124 -13.575 -2.179 1.00 0.00 O ATOM 115 CB PHE A 11 -14.545 -11.161 -1.258 1.00 0.00 C ATOM 116 CG PHE A 11 -14.459 -12.087 -0.078 1.00 0.00 C ATOM 117 CD1 PHE A 11 -13.442 -11.952 0.852 1.00 0.00 C ATOM 118 CD2 PHE A 11 -15.396 -13.091 0.100 1.00 0.00 C ATOM 119 CE1 PHE A 11 -13.360 -12.804 1.938 1.00 0.00 C ATOM 120 CE2 PHE A 11 -15.320 -13.946 1.184 1.00 0.00 C ATOM 121 CZ PHE A 11 -14.301 -13.801 2.105 1.00 0.00 C ATOM 0 H PHE A 11 -14.290 -9.752 -3.311 1.00 0.00 H new ATOM 0 HA PHE A 11 -12.415 -11.025 -1.517 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -14.713 -10.145 -0.901 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -15.411 -11.434 -1.862 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -12.705 -11.173 0.728 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -16.196 -13.208 -0.616 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -12.561 -12.690 2.655 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -16.056 -14.726 1.310 1.00 0.00 H new ATOM 0 HZ PHE A 11 -14.240 -14.466 2.954 1.00 0.00 H new ATOM 131 N ARG A 12 -13.111 -12.509 -4.161 1.00 0.00 N ATOM 132 CA ARG A 12 -12.991 -13.734 -4.943 1.00 0.00 C ATOM 133 C ARG A 12 -11.531 -14.163 -5.060 1.00 0.00 C ATOM 134 O ARG A 12 -11.138 -15.210 -4.546 1.00 0.00 O ATOM 135 CB ARG A 12 -13.589 -13.535 -6.337 1.00 0.00 C ATOM 136 CG ARG A 12 -14.049 -14.826 -6.992 1.00 0.00 C ATOM 137 CD ARG A 12 -14.954 -14.555 -8.183 1.00 0.00 C ATOM 138 NE ARG A 12 -15.171 -15.753 -8.990 1.00 0.00 N ATOM 139 CZ ARG A 12 -16.337 -16.062 -9.547 1.00 0.00 C ATOM 140 NH1 ARG A 12 -17.384 -15.265 -9.387 1.00 0.00 N ATOM 141 NH2 ARG A 12 -16.456 -17.170 -10.267 1.00 0.00 N ATOM 0 H ARG A 12 -13.146 -11.655 -4.718 1.00 0.00 H new ATOM 0 HA ARG A 12 -13.543 -14.520 -4.428 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -14.435 -12.852 -6.266 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -12.847 -13.057 -6.977 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -13.181 -15.400 -7.316 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -14.580 -15.437 -6.262 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -15.914 -14.177 -7.830 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -14.513 -13.775 -8.804 1.00 0.00 H new ATOM 0 HE ARG A 12 -14.385 -16.387 -9.134 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -17.296 -14.412 -8.835 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -18.278 -15.505 -9.816 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -15.652 -17.785 -10.393 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -17.351 -17.407 -10.694 1.00 0.00 H new ATOM 155 N CYS A 13 -10.733 -13.347 -5.740 1.00 0.00 N ATOM 156 CA CYS A 13 -9.317 -13.641 -5.927 1.00 0.00 C ATOM 157 C CYS A 13 -8.462 -12.837 -4.953 1.00 0.00 C ATOM 158 O CYS A 13 -7.405 -13.292 -4.515 1.00 0.00 O ATOM 159 CB CYS A 13 -8.897 -13.335 -7.365 1.00 0.00 C ATOM 160 SG CYS A 13 -8.967 -11.568 -7.801 1.00 0.00 S ATOM 0 H CYS A 13 -11.043 -12.476 -6.171 1.00 0.00 H new ATOM 0 HA CYS A 13 -9.162 -14.702 -5.729 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -7.880 -13.696 -7.520 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -9.540 -13.892 -8.046 1.00 0.00 H new ATOM 0 HG CYS A 13 -10.134 -11.090 -7.487 1.00 0.00 H new ATOM 165 N GLY A 14 -8.926 -11.637 -4.617 1.00 0.00 N ATOM 166 CA GLY A 14 -8.192 -10.788 -3.697 1.00 0.00 C ATOM 167 C GLY A 14 -7.436 -9.682 -4.407 1.00 0.00 C ATOM 168 O GLY A 14 -6.316 -9.340 -4.025 1.00 0.00 O ATOM 0 H GLY A 14 -9.797 -11.238 -4.966 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -8.886 -10.348 -2.981 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.490 -11.397 -3.127 1.00 0.00 H new ATOM 172 N LYS A 15 -8.048 -9.120 -5.444 1.00 0.00 N ATOM 173 CA LYS A 15 -7.428 -8.046 -6.210 1.00 0.00 C ATOM 174 C LYS A 15 -8.364 -6.848 -6.324 1.00 0.00 C ATOM 175 O LYS A 15 -9.536 -6.977 -6.679 1.00 0.00 O ATOM 176 CB LYS A 15 -7.045 -8.543 -7.606 1.00 0.00 C ATOM 177 CG LYS A 15 -5.899 -9.540 -7.604 1.00 0.00 C ATOM 178 CD LYS A 15 -4.556 -8.847 -7.757 1.00 0.00 C ATOM 179 CE LYS A 15 -4.161 -8.714 -9.220 1.00 0.00 C ATOM 180 NZ LYS A 15 -2.695 -8.508 -9.383 1.00 0.00 N ATOM 0 H LYS A 15 -8.974 -9.391 -5.773 1.00 0.00 H new ATOM 0 HA LYS A 15 -6.527 -7.731 -5.683 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.917 -9.005 -8.070 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.771 -7.688 -8.224 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.912 -10.109 -6.674 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.035 -10.254 -8.416 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.601 -7.858 -7.300 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.791 -9.411 -7.222 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.464 -9.611 -9.761 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.697 -7.876 -9.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.467 -8.422 -10.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.409 -7.639 -8.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.184 -9.319 -8.980 1.00 0.00 H new ATOM 194 N PRO A 16 -7.837 -5.653 -6.018 1.00 0.00 N ATOM 195 CA PRO A 16 -8.609 -4.408 -6.081 1.00 0.00 C ATOM 196 C PRO A 16 -8.941 -4.004 -7.513 1.00 0.00 C ATOM 197 O PRO A 16 -8.597 -4.706 -8.462 1.00 0.00 O ATOM 198 CB PRO A 16 -7.675 -3.379 -5.438 1.00 0.00 C ATOM 199 CG PRO A 16 -6.306 -3.929 -5.644 1.00 0.00 C ATOM 200 CD PRO A 16 -6.448 -5.425 -5.587 1.00 0.00 C ATOM 0 HA PRO A 16 -9.573 -4.500 -5.581 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -7.783 -2.400 -5.905 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -7.895 -3.252 -4.378 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.898 -3.612 -6.604 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.622 -3.572 -4.874 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -5.736 -5.922 -6.246 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -6.271 -5.807 -4.582 1.00 0.00 H new ATOM 208 N GLY A 17 -9.613 -2.866 -7.661 1.00 0.00 N ATOM 209 CA GLY A 17 -9.981 -2.388 -8.981 1.00 0.00 C ATOM 210 C GLY A 17 -11.312 -2.942 -9.449 1.00 0.00 C ATOM 211 O GLY A 17 -12.071 -2.257 -10.135 1.00 0.00 O ATOM 0 H GLY A 17 -9.909 -2.267 -6.890 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -10.028 -1.299 -8.969 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -9.205 -2.666 -9.694 1.00 0.00 H new ATOM 215 N HIS A 18 -11.596 -4.187 -9.078 1.00 0.00 N ATOM 216 CA HIS A 18 -12.845 -4.833 -9.465 1.00 0.00 C ATOM 217 C HIS A 18 -13.491 -5.527 -8.270 1.00 0.00 C ATOM 218 O HIS A 18 -12.853 -5.727 -7.236 1.00 0.00 O ATOM 219 CB HIS A 18 -12.595 -5.846 -10.583 1.00 0.00 C ATOM 220 CG HIS A 18 -11.828 -7.053 -10.137 1.00 0.00 C ATOM 221 ND1 HIS A 18 -10.451 -7.121 -10.162 1.00 0.00 N ATOM 222 CD2 HIS A 18 -12.253 -8.243 -9.652 1.00 0.00 C ATOM 223 CE1 HIS A 18 -10.062 -8.301 -9.712 1.00 0.00 C ATOM 224 NE2 HIS A 18 -11.137 -9.000 -9.396 1.00 0.00 N ATOM 0 H HIS A 18 -10.979 -4.768 -8.511 1.00 0.00 H new ATOM 0 HA HIS A 18 -13.526 -4.063 -9.828 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -13.553 -6.166 -10.993 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -12.050 -5.357 -11.390 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -9.830 -6.377 -10.478 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -13.279 -8.541 -9.496 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -9.040 -8.636 -9.619 1.00 0.00 H new ATOM 232 N TYR A 19 -14.760 -5.891 -8.418 1.00 0.00 N ATOM 233 CA TYR A 19 -15.493 -6.559 -7.349 1.00 0.00 C ATOM 234 C TYR A 19 -15.695 -8.037 -7.669 1.00 0.00 C ATOM 235 O TYR A 19 -15.627 -8.448 -8.827 1.00 0.00 O ATOM 236 CB TYR A 19 -16.848 -5.883 -7.132 1.00 0.00 C ATOM 237 CG TYR A 19 -17.394 -5.209 -8.370 1.00 0.00 C ATOM 238 CD1 TYR A 19 -16.742 -4.120 -8.937 1.00 0.00 C ATOM 239 CD2 TYR A 19 -18.562 -5.659 -8.973 1.00 0.00 C ATOM 240 CE1 TYR A 19 -17.237 -3.500 -10.068 1.00 0.00 C ATOM 241 CE2 TYR A 19 -19.064 -5.046 -10.105 1.00 0.00 C ATOM 242 CZ TYR A 19 -18.398 -3.968 -10.648 1.00 0.00 C ATOM 243 OH TYR A 19 -18.896 -3.354 -11.775 1.00 0.00 O ATOM 0 H TYR A 19 -15.302 -5.735 -9.268 1.00 0.00 H new ATOM 0 HA TYR A 19 -14.905 -6.481 -6.435 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -17.565 -6.628 -6.788 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -16.752 -5.143 -6.338 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -15.833 -3.752 -8.485 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -19.087 -6.503 -8.550 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -16.718 -2.654 -10.495 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -19.973 -5.409 -10.562 1.00 0.00 H new ATOM 0 HH TYR A 19 -19.718 -3.806 -12.058 1.00 0.00 H new ATOM 253 N ILE A 20 -15.945 -8.830 -6.633 1.00 0.00 N ATOM 254 CA ILE A 20 -16.159 -10.262 -6.802 1.00 0.00 C ATOM 255 C ILE A 20 -17.177 -10.540 -7.902 1.00 0.00 C ATOM 256 O ILE A 20 -17.110 -11.564 -8.582 1.00 0.00 O ATOM 257 CB ILE A 20 -16.641 -10.918 -5.494 1.00 0.00 C ATOM 258 CG1 ILE A 20 -17.024 -12.378 -5.742 1.00 0.00 C ATOM 259 CG2 ILE A 20 -17.818 -10.146 -4.917 1.00 0.00 C ATOM 260 CD1 ILE A 20 -16.891 -13.254 -4.516 1.00 0.00 C ATOM 0 H ILE A 20 -16.004 -8.505 -5.668 1.00 0.00 H new ATOM 0 HA ILE A 20 -15.198 -10.693 -7.082 1.00 0.00 H new ATOM 0 HB ILE A 20 -15.826 -10.894 -4.770 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -18.053 -12.420 -6.098 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -16.395 -12.780 -6.536 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -18.147 -10.622 -3.993 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -17.513 -9.120 -4.709 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -18.638 -10.142 -5.635 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -17.179 -14.275 -4.766 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -15.857 -13.243 -4.171 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -17.541 -12.876 -3.727 1.00 0.00 H new ATOM 272 N LYS A 21 -18.120 -9.619 -8.074 1.00 0.00 N ATOM 273 CA LYS A 21 -19.152 -9.761 -9.094 1.00 0.00 C ATOM 274 C LYS A 21 -18.602 -9.420 -10.475 1.00 0.00 C ATOM 275 O LYS A 21 -19.011 -10.005 -11.478 1.00 0.00 O ATOM 276 CB LYS A 21 -20.345 -8.858 -8.771 1.00 0.00 C ATOM 277 CG LYS A 21 -20.492 -8.551 -7.291 1.00 0.00 C ATOM 278 CD LYS A 21 -21.888 -8.049 -6.962 1.00 0.00 C ATOM 279 CE LYS A 21 -22.913 -9.172 -7.024 1.00 0.00 C ATOM 280 NZ LYS A 21 -23.506 -9.305 -8.384 1.00 0.00 N ATOM 0 H LYS A 21 -18.190 -8.766 -7.519 1.00 0.00 H new ATOM 0 HA LYS A 21 -19.482 -10.800 -9.100 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -20.240 -7.922 -9.319 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -21.258 -9.335 -9.127 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -20.281 -9.448 -6.710 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -19.757 -7.801 -6.999 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -21.891 -7.606 -5.966 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -22.167 -7.261 -7.662 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -22.440 -10.112 -6.740 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -23.705 -8.982 -6.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -24.544 -9.296 -8.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -23.193 -8.511 -8.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -23.196 -10.201 -8.812 1.00 0.00 H new ATOM 294 N ASN A 22 -17.672 -8.472 -10.520 1.00 0.00 N ATOM 295 CA ASN A 22 -17.065 -8.055 -11.779 1.00 0.00 C ATOM 296 C ASN A 22 -15.684 -8.680 -11.951 1.00 0.00 C ATOM 297 O ASN A 22 -14.877 -8.218 -12.758 1.00 0.00 O ATOM 298 CB ASN A 22 -16.958 -6.530 -11.836 1.00 0.00 C ATOM 299 CG ASN A 22 -16.186 -6.050 -13.051 1.00 0.00 C ATOM 300 OD1 ASN A 22 -15.101 -5.323 -12.813 1.00 0.00 O flip ATOM 301 ND2 ASN A 22 -16.562 -6.330 -14.189 1.00 0.00 N flip ATOM 0 H ASN A 22 -17.322 -7.978 -9.699 1.00 0.00 H new ATOM 0 HA ASN A 22 -17.703 -8.399 -12.593 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -17.959 -6.098 -11.851 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -16.468 -6.169 -10.932 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -17.402 -6.892 -14.325 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -16.033 -6.000 -14.996 1.00 0.00 H new ATOM 308 N CYS A 23 -15.419 -9.735 -11.188 1.00 0.00 N ATOM 309 CA CYS A 23 -14.136 -10.425 -11.255 1.00 0.00 C ATOM 310 C CYS A 23 -13.994 -11.182 -12.572 1.00 0.00 C ATOM 311 O CYS A 23 -14.909 -11.873 -13.021 1.00 0.00 O ATOM 312 CB CYS A 23 -13.993 -11.394 -10.079 1.00 0.00 C ATOM 313 SG CYS A 23 -12.310 -12.058 -9.864 1.00 0.00 S ATOM 0 H CYS A 23 -16.076 -10.131 -10.516 1.00 0.00 H new ATOM 0 HA CYS A 23 -13.345 -9.677 -11.199 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -14.291 -10.884 -9.163 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -14.685 -12.225 -10.220 1.00 0.00 H new ATOM 0 HG CYS A 23 -11.479 -11.078 -9.664 1.00 0.00 H new ATOM 318 N PRO A 24 -12.820 -11.049 -13.207 1.00 0.00 N ATOM 319 CA PRO A 24 -12.529 -11.713 -14.481 1.00 0.00 C ATOM 320 C PRO A 24 -12.388 -13.224 -14.328 1.00 0.00 C ATOM 321 O PRO A 24 -12.958 -13.993 -15.102 1.00 0.00 O ATOM 322 CB PRO A 24 -11.198 -11.092 -14.909 1.00 0.00 C ATOM 323 CG PRO A 24 -10.559 -10.651 -13.637 1.00 0.00 C ATOM 324 CD PRO A 24 -11.685 -10.241 -12.729 1.00 0.00 C ATOM 0 HA PRO A 24 -13.332 -11.575 -15.205 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.575 -11.815 -15.435 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -11.353 -10.252 -15.586 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -9.974 -11.457 -13.194 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.876 -9.820 -13.811 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -11.455 -10.450 -11.684 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -11.892 -9.173 -12.803 1.00 0.00 H new