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 172:sc= -1.61 USER MOD Set 1.2: A 13 CYS SG : rot -51:sc= -0.662 USER MOD Set 1.3: A 18 HIS : no HE2:sc= -4.06! X(o=-6.9!,f=-7.1) USER MOD Set 1.4: A 23 CYS SG : rot 67:sc= -0.561 USER MOD Single : A 9 THR OG1 : rot 33:sc= 0.181 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+ -161:sc= -0.017 (180deg=-0.234) USER MOD Single : A 22 ASN :FLIP amide:sc= -2.9! C(o=-4.1!,f=-2.9!) USER MOD ----------------------------------------------------------------- ATOM 87 N THR A 9 -12.104 -4.766 -1.856 1.00 0.00 N ATOM 88 CA THR A 9 -11.358 -5.542 -2.839 1.00 0.00 C ATOM 89 C THR A 9 -12.109 -6.813 -3.220 1.00 0.00 C ATOM 90 O THR A 9 -12.921 -7.322 -2.447 1.00 0.00 O ATOM 91 CB THR A 9 -9.962 -5.923 -2.312 1.00 0.00 C ATOM 92 OG1 THR A 9 -9.304 -4.764 -1.785 1.00 0.00 O ATOM 93 CG2 THR A 9 -9.114 -6.534 -3.417 1.00 0.00 C ATOM 0 HA THR A 9 -11.245 -4.911 -3.721 1.00 0.00 H new ATOM 0 HB THR A 9 -10.086 -6.662 -1.520 1.00 0.00 H new ATOM 0 HG1 THR A 9 -9.969 -4.159 -1.396 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.133 -6.795 -3.021 1.00 0.00 H new ATOM 0 HG22 THR A 9 -9.602 -7.432 -3.796 1.00 0.00 H new ATOM 0 HG23 THR A 9 -8.998 -5.814 -4.227 1.00 0.00 H new ATOM 101 N CYS A 10 -11.831 -7.322 -4.416 1.00 0.00 N ATOM 102 CA CYS A 10 -12.480 -8.534 -4.900 1.00 0.00 C ATOM 103 C CYS A 10 -12.330 -9.671 -3.893 1.00 0.00 C ATOM 104 O CYS A 10 -11.227 -10.166 -3.660 1.00 0.00 O ATOM 105 CB CYS A 10 -11.888 -8.950 -6.248 1.00 0.00 C ATOM 106 SG CYS A 10 -12.518 -10.539 -6.878 1.00 0.00 S ATOM 0 H CYS A 10 -11.161 -6.914 -5.067 1.00 0.00 H new ATOM 0 HA CYS A 10 -13.542 -8.322 -5.026 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -12.099 -8.171 -6.981 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -10.804 -9.013 -6.153 1.00 0.00 H new ATOM 0 HG CYS A 10 -12.102 -10.718 -8.097 1.00 0.00 H new ATOM 111 N PHE A 11 -13.446 -10.081 -3.301 1.00 0.00 N ATOM 112 CA PHE A 11 -13.440 -11.159 -2.319 1.00 0.00 C ATOM 113 C PHE A 11 -13.238 -12.511 -2.997 1.00 0.00 C ATOM 114 O PHE A 11 -13.079 -13.533 -2.330 1.00 0.00 O ATOM 115 CB PHE A 11 -14.748 -11.163 -1.526 1.00 0.00 C ATOM 116 CG PHE A 11 -14.835 -12.274 -0.519 1.00 0.00 C ATOM 117 CD1 PHE A 11 -13.939 -12.343 0.535 1.00 0.00 C ATOM 118 CD2 PHE A 11 -15.814 -13.249 -0.626 1.00 0.00 C ATOM 119 CE1 PHE A 11 -14.016 -13.364 1.463 1.00 0.00 C ATOM 120 CE2 PHE A 11 -15.897 -14.273 0.299 1.00 0.00 C ATOM 121 CZ PHE A 11 -14.997 -14.330 1.346 1.00 0.00 C ATOM 0 H PHE A 11 -14.367 -9.683 -3.484 1.00 0.00 H new ATOM 0 HA PHE A 11 -12.609 -10.988 -1.634 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -14.855 -10.208 -1.012 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -15.584 -11.246 -2.220 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -13.171 -11.590 0.633 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -16.521 -13.208 -1.442 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -13.310 -13.407 2.279 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -16.664 -15.027 0.203 1.00 0.00 H new ATOM 0 HZ PHE A 11 -15.060 -15.128 2.071 1.00 0.00 H new ATOM 131 N ARG A 12 -13.246 -12.507 -4.326 1.00 0.00 N ATOM 132 CA ARG A 12 -13.065 -13.732 -5.094 1.00 0.00 C ATOM 133 C ARG A 12 -11.593 -14.129 -5.148 1.00 0.00 C ATOM 134 O ARG A 12 -11.186 -15.129 -4.556 1.00 0.00 O ATOM 135 CB ARG A 12 -13.608 -13.554 -6.513 1.00 0.00 C ATOM 136 CG ARG A 12 -14.038 -14.856 -7.169 1.00 0.00 C ATOM 137 CD ARG A 12 -14.801 -14.604 -8.460 1.00 0.00 C ATOM 138 NE ARG A 12 -14.745 -15.751 -9.362 1.00 0.00 N ATOM 139 CZ ARG A 12 -15.331 -16.916 -9.108 1.00 0.00 C ATOM 140 NH1 ARG A 12 -16.015 -17.086 -7.985 1.00 0.00 N ATOM 141 NH2 ARG A 12 -15.234 -17.912 -9.979 1.00 0.00 N ATOM 0 H ARG A 12 -13.376 -11.669 -4.893 1.00 0.00 H new ATOM 0 HA ARG A 12 -13.620 -14.528 -4.596 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -14.459 -12.873 -6.484 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -12.843 -13.082 -7.129 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -13.160 -15.467 -7.378 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -14.664 -15.423 -6.480 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -15.841 -14.376 -8.228 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -14.387 -13.729 -8.961 1.00 0.00 H new ATOM 0 HE ARG A 12 -14.227 -15.652 -10.235 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -16.092 -16.322 -7.314 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -16.464 -17.981 -7.792 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -14.709 -17.784 -10.844 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -15.684 -18.806 -9.783 1.00 0.00 H new ATOM 155 N CYS A 13 -10.798 -13.338 -5.861 1.00 0.00 N ATOM 156 CA CYS A 13 -9.371 -13.606 -5.993 1.00 0.00 C ATOM 157 C CYS A 13 -8.568 -12.780 -4.992 1.00 0.00 C ATOM 158 O CYS A 13 -7.532 -13.222 -4.496 1.00 0.00 O ATOM 159 CB CYS A 13 -8.903 -13.298 -7.417 1.00 0.00 C ATOM 160 SG CYS A 13 -8.915 -11.525 -7.837 1.00 0.00 S ATOM 0 H CYS A 13 -11.118 -12.506 -6.356 1.00 0.00 H new ATOM 0 HA CYS A 13 -9.204 -14.662 -5.783 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -7.892 -13.684 -7.547 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -9.541 -13.832 -8.121 1.00 0.00 H new ATOM 0 HG CYS A 13 -10.078 -11.019 -7.551 1.00 0.00 H new ATOM 165 N GLY A 14 -9.053 -11.577 -4.700 1.00 0.00 N ATOM 166 CA GLY A 14 -8.369 -10.709 -3.760 1.00 0.00 C ATOM 167 C GLY A 14 -7.605 -9.596 -4.450 1.00 0.00 C ATOM 168 O GLY A 14 -6.550 -9.171 -3.977 1.00 0.00 O ATOM 0 H GLY A 14 -9.908 -11.188 -5.098 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -9.097 -10.275 -3.075 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.679 -11.301 -3.159 1.00 0.00 H new ATOM 172 N LYS A 15 -8.136 -9.123 -5.572 1.00 0.00 N ATOM 173 CA LYS A 15 -7.498 -8.052 -6.329 1.00 0.00 C ATOM 174 C LYS A 15 -8.395 -6.820 -6.391 1.00 0.00 C ATOM 175 O LYS A 15 -9.597 -6.910 -6.641 1.00 0.00 O ATOM 176 CB LYS A 15 -7.168 -8.529 -7.745 1.00 0.00 C ATOM 177 CG LYS A 15 -6.046 -9.551 -7.798 1.00 0.00 C ATOM 178 CD LYS A 15 -4.691 -8.904 -7.561 1.00 0.00 C ATOM 179 CE LYS A 15 -3.597 -9.593 -8.361 1.00 0.00 C ATOM 180 NZ LYS A 15 -2.951 -10.690 -7.588 1.00 0.00 N ATOM 0 H LYS A 15 -9.007 -9.465 -5.978 1.00 0.00 H new ATOM 0 HA LYS A 15 -6.574 -7.780 -5.819 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -8.063 -8.962 -8.191 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.893 -7.668 -8.354 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.219 -10.322 -7.047 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.049 -10.046 -8.769 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.736 -7.851 -7.837 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.448 -8.945 -6.499 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.020 -9.997 -9.281 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -2.843 -8.861 -8.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.211 -11.134 -8.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.525 -10.301 -6.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -3.665 -11.402 -7.333 1.00 0.00 H new ATOM 194 N PRO A 16 -7.799 -5.641 -6.161 1.00 0.00 N ATOM 195 CA PRO A 16 -8.526 -4.368 -6.187 1.00 0.00 C ATOM 196 C PRO A 16 -8.966 -3.981 -7.595 1.00 0.00 C ATOM 197 O PRO A 16 -8.737 -4.720 -8.552 1.00 0.00 O ATOM 198 CB PRO A 16 -7.502 -3.364 -5.652 1.00 0.00 C ATOM 199 CG PRO A 16 -6.178 -3.972 -5.962 1.00 0.00 C ATOM 200 CD PRO A 16 -6.370 -5.459 -5.856 1.00 0.00 C ATOM 0 HA PRO A 16 -9.446 -4.412 -5.604 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -7.613 -2.392 -6.132 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -7.624 -3.207 -4.580 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.844 -3.692 -6.961 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.417 -3.626 -5.263 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -5.737 -5.997 -6.561 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -6.122 -5.826 -4.860 1.00 0.00 H new ATOM 208 N GLY A 17 -9.599 -2.818 -7.714 1.00 0.00 N ATOM 209 CA GLY A 17 -10.061 -2.354 -9.009 1.00 0.00 C ATOM 210 C GLY A 17 -11.409 -2.934 -9.386 1.00 0.00 C ATOM 211 O GLY A 17 -12.234 -2.258 -10.002 1.00 0.00 O ATOM 0 H GLY A 17 -9.800 -2.189 -6.937 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -10.127 -1.266 -8.999 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -9.328 -2.622 -9.770 1.00 0.00 H new ATOM 215 N HIS A 18 -11.635 -4.191 -9.016 1.00 0.00 N ATOM 216 CA HIS A 18 -12.894 -4.862 -9.321 1.00 0.00 C ATOM 217 C HIS A 18 -13.432 -5.590 -8.092 1.00 0.00 C ATOM 218 O HIS A 18 -12.727 -5.751 -7.096 1.00 0.00 O ATOM 219 CB HIS A 18 -12.703 -5.852 -10.470 1.00 0.00 C ATOM 220 CG HIS A 18 -11.868 -7.040 -10.106 1.00 0.00 C ATOM 221 ND1 HIS A 18 -10.495 -7.065 -10.239 1.00 0.00 N ATOM 222 CD2 HIS A 18 -12.218 -8.249 -9.608 1.00 0.00 C ATOM 223 CE1 HIS A 18 -10.038 -8.238 -9.841 1.00 0.00 C ATOM 224 NE2 HIS A 18 -11.063 -8.975 -9.453 1.00 0.00 N ATOM 0 H HIS A 18 -10.964 -4.765 -8.505 1.00 0.00 H new ATOM 0 HA HIS A 18 -13.618 -4.104 -9.620 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -13.680 -6.196 -10.808 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -12.238 -5.336 -11.310 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -9.922 -6.297 -10.590 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -13.219 -8.581 -9.376 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -9.002 -8.543 -9.834 1.00 0.00 H new ATOM 232 N TYR A 19 -14.685 -6.025 -8.170 1.00 0.00 N ATOM 233 CA TYR A 19 -15.319 -6.732 -7.064 1.00 0.00 C ATOM 234 C TYR A 19 -15.521 -8.205 -7.403 1.00 0.00 C ATOM 235 O TYR A 19 -15.227 -8.643 -8.516 1.00 0.00 O ATOM 236 CB TYR A 19 -16.663 -6.086 -6.722 1.00 0.00 C ATOM 237 CG TYR A 19 -17.380 -5.509 -7.921 1.00 0.00 C ATOM 238 CD1 TYR A 19 -16.859 -4.420 -8.609 1.00 0.00 C ATOM 239 CD2 TYR A 19 -18.579 -6.052 -8.367 1.00 0.00 C ATOM 240 CE1 TYR A 19 -17.510 -3.888 -9.705 1.00 0.00 C ATOM 241 CE2 TYR A 19 -19.237 -5.528 -9.463 1.00 0.00 C ATOM 242 CZ TYR A 19 -18.699 -4.446 -10.128 1.00 0.00 C ATOM 243 OH TYR A 19 -19.352 -3.920 -11.219 1.00 0.00 O ATOM 0 H TYR A 19 -15.282 -5.900 -8.988 1.00 0.00 H new ATOM 0 HA TYR A 19 -14.660 -6.665 -6.198 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -17.304 -6.830 -6.249 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -16.500 -5.294 -5.991 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -15.928 -3.982 -8.281 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -19.004 -6.898 -7.848 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -17.091 -3.041 -10.228 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -20.167 -5.963 -9.797 1.00 0.00 H new ATOM 0 HH TYR A 19 -20.173 -4.429 -11.386 1.00 0.00 H new ATOM 253 N ILE A 20 -16.026 -8.964 -6.437 1.00 0.00 N ATOM 254 CA ILE A 20 -16.270 -10.388 -6.633 1.00 0.00 C ATOM 255 C ILE A 20 -17.288 -10.624 -7.743 1.00 0.00 C ATOM 256 O ILE A 20 -17.368 -11.715 -8.307 1.00 0.00 O ATOM 257 CB ILE A 20 -16.774 -11.056 -5.340 1.00 0.00 C ATOM 258 CG1 ILE A 20 -17.068 -12.537 -5.586 1.00 0.00 C ATOM 259 CG2 ILE A 20 -18.015 -10.343 -4.824 1.00 0.00 C ATOM 260 CD1 ILE A 20 -16.836 -13.409 -4.372 1.00 0.00 C ATOM 0 H ILE A 20 -16.274 -8.617 -5.511 1.00 0.00 H new ATOM 0 HA ILE A 20 -15.317 -10.835 -6.916 1.00 0.00 H new ATOM 0 HB ILE A 20 -15.994 -10.981 -4.582 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -18.104 -12.645 -5.908 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -16.441 -12.893 -6.404 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -18.359 -10.827 -3.910 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -17.775 -9.301 -4.615 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -18.801 -10.390 -5.577 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -17.064 -14.446 -4.620 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -15.794 -13.331 -4.062 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -17.482 -13.080 -3.558 1.00 0.00 H new ATOM 272 N LYS A 21 -18.064 -9.591 -8.055 1.00 0.00 N ATOM 273 CA LYS A 21 -19.076 -9.683 -9.101 1.00 0.00 C ATOM 274 C LYS A 21 -18.509 -9.244 -10.447 1.00 0.00 C ATOM 275 O LYS A 21 -19.004 -9.644 -11.500 1.00 0.00 O ATOM 276 CB LYS A 21 -20.290 -8.822 -8.742 1.00 0.00 C ATOM 277 CG LYS A 21 -20.527 -8.700 -7.247 1.00 0.00 C ATOM 278 CD LYS A 21 -20.984 -10.018 -6.645 1.00 0.00 C ATOM 279 CE LYS A 21 -22.475 -10.236 -6.847 1.00 0.00 C ATOM 280 NZ LYS A 21 -23.290 -9.310 -6.012 1.00 0.00 N ATOM 0 H LYS A 21 -18.011 -8.680 -7.598 1.00 0.00 H new ATOM 0 HA LYS A 21 -19.387 -10.725 -9.180 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -20.156 -7.826 -9.163 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -21.178 -9.248 -9.209 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -19.609 -8.374 -6.758 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -21.278 -7.933 -7.058 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -20.430 -10.839 -7.101 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -20.754 -10.032 -5.580 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -22.724 -10.091 -7.898 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -22.728 -11.267 -6.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -24.257 -9.683 -5.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -22.862 -9.226 -5.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -23.321 -8.373 -6.462 1.00 0.00 H new ATOM 294 N ASN A 22 -17.466 -8.421 -10.405 1.00 0.00 N ATOM 295 CA ASN A 22 -16.831 -7.929 -11.622 1.00 0.00 C ATOM 296 C ASN A 22 -15.461 -8.572 -11.819 1.00 0.00 C ATOM 297 O ASN A 22 -14.632 -8.073 -12.580 1.00 0.00 O ATOM 298 CB ASN A 22 -16.689 -6.407 -11.568 1.00 0.00 C ATOM 299 CG ASN A 22 -15.794 -5.870 -12.669 1.00 0.00 C ATOM 300 OD1 ASN A 22 -14.852 -5.010 -12.299 1.00 0.00 O flip ATOM 301 ND2 ASN A 22 -15.948 -6.225 -13.838 1.00 0.00 N flip ATOM 0 H ASN A 22 -17.043 -8.081 -9.541 1.00 0.00 H new ATOM 0 HA ASN A 22 -17.464 -8.199 -12.467 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -17.675 -5.950 -11.650 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -16.282 -6.117 -10.599 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -16.685 -6.888 -14.077 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -15.338 -5.856 -14.568 1.00 0.00 H new ATOM 308 N CYS A 23 -15.231 -9.683 -11.128 1.00 0.00 N ATOM 309 CA CYS A 23 -13.963 -10.396 -11.226 1.00 0.00 C ATOM 310 C CYS A 23 -13.877 -11.177 -12.534 1.00 0.00 C ATOM 311 O CYS A 23 -14.814 -11.867 -12.936 1.00 0.00 O ATOM 312 CB CYS A 23 -13.795 -11.347 -10.039 1.00 0.00 C ATOM 313 SG CYS A 23 -12.185 -12.198 -9.989 1.00 0.00 S ATOM 0 H CYS A 23 -15.906 -10.109 -10.494 1.00 0.00 H new ATOM 0 HA CYS A 23 -13.159 -9.660 -11.210 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -13.925 -10.784 -9.115 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -14.588 -12.094 -10.071 1.00 0.00 H new ATOM 0 HG CYS A 23 -11.243 -11.331 -9.761 1.00 0.00 H new ATOM 318 N PRO A 24 -12.727 -11.067 -13.214 1.00 0.00 N ATOM 319 CA PRO A 24 -12.490 -11.756 -14.486 1.00 0.00 C ATOM 320 C PRO A 24 -12.357 -13.265 -14.312 1.00 0.00 C ATOM 321 O PRO A 24 -12.980 -14.042 -15.036 1.00 0.00 O ATOM 322 CB PRO A 24 -11.170 -11.155 -14.975 1.00 0.00 C ATOM 323 CG PRO A 24 -10.480 -10.698 -13.736 1.00 0.00 C ATOM 324 CD PRO A 24 -11.567 -10.262 -12.794 1.00 0.00 C ATOM 0 HA PRO A 24 -13.318 -11.623 -15.182 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.573 -11.893 -15.511 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -11.343 -10.326 -15.661 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -9.886 -11.502 -13.301 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.797 -9.876 -13.950 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -11.299 -10.455 -11.755 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -11.767 -9.194 -12.879 1.00 0.00 H new