USER MOD reduce.3.24.130724 H: found=0, std=0, add=258, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 260 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 Single : A 79 MET CE :methyl -159:sc= -0.0747 (180deg=-0.753) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0.0456 USER MOD Single : A 84 GLN : amide:sc=-0.00944 K(o=-0.0094,f=-1.7!) USER MOD Single : A 90 LYS NZ :NH3+ 160:sc= -0.0435 (180deg=-0.501) USER MOD Single : A 91 MET CE :methyl -169:sc= -0.276 (180deg=-0.465) USER MOD Single : A 92 SER OG : rot -37:sc= 0.598 USER MOD Single : A 94 GLN : amide:sc= -0.286 K(o=-0.29,f=-2.6!) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 SER OG : rot -34:sc= 0.808 USER MOD ----------------------------------------------------------------- ATOM 153 N MET A 79 1.987 -12.997 -13.186 1.00 0.00 N ATOM 154 CA MET A 79 3.365 -13.468 -13.115 1.00 0.00 C ATOM 155 C MET A 79 4.162 -12.969 -14.315 1.00 0.00 C ATOM 156 O MET A 79 3.686 -13.007 -15.450 1.00 0.00 O ATOM 157 CB MET A 79 3.390 -14.998 -13.084 1.00 0.00 C ATOM 158 CG MET A 79 2.812 -15.496 -11.757 1.00 0.00 C ATOM 159 SD MET A 79 3.101 -17.276 -11.605 1.00 0.00 S ATOM 160 CE MET A 79 1.976 -17.810 -12.914 1.00 0.00 C ATOM 0 HA MET A 79 3.819 -13.078 -12.204 1.00 0.00 H new ATOM 0 HB2 MET A 79 2.811 -15.398 -13.917 1.00 0.00 H new ATOM 0 HB3 MET A 79 4.412 -15.357 -13.204 1.00 0.00 H new ATOM 0 HG2 MET A 79 3.277 -14.969 -10.924 1.00 0.00 H new ATOM 0 HG3 MET A 79 1.744 -15.285 -11.711 1.00 0.00 H new ATOM 0 HE1 MET A 79 1.709 -18.855 -12.760 1.00 0.00 H new ATOM 0 HE2 MET A 79 1.075 -17.198 -12.891 1.00 0.00 H new ATOM 0 HE3 MET A 79 2.465 -17.700 -13.882 1.00 0.00 H new ATOM 170 N THR A 80 5.378 -12.505 -14.053 1.00 0.00 N ATOM 171 CA THR A 80 6.243 -11.998 -15.114 1.00 0.00 C ATOM 172 C THR A 80 6.883 -13.148 -15.883 1.00 0.00 C ATOM 173 O THR A 80 6.847 -14.298 -15.445 1.00 0.00 O ATOM 174 CB THR A 80 7.334 -11.104 -14.524 1.00 0.00 C ATOM 175 OG1 THR A 80 8.169 -11.878 -13.677 1.00 0.00 O ATOM 176 CG2 THR A 80 6.691 -9.974 -13.718 1.00 0.00 C ATOM 0 H THR A 80 5.787 -12.469 -13.119 1.00 0.00 H new ATOM 0 HA THR A 80 5.632 -11.414 -15.802 1.00 0.00 H new ATOM 0 HB THR A 80 7.930 -10.676 -15.330 1.00 0.00 H new ATOM 0 HG1 THR A 80 8.870 -11.307 -13.299 1.00 0.00 H new ATOM 0 HG21 THR A 80 7.470 -9.338 -13.298 1.00 0.00 H new ATOM 0 HG22 THR A 80 6.050 -9.381 -14.370 1.00 0.00 H new ATOM 0 HG23 THR A 80 6.094 -10.397 -12.910 1.00 0.00 H new ATOM 184 N GLU A 81 7.471 -12.832 -17.033 1.00 0.00 N ATOM 185 CA GLU A 81 8.115 -13.851 -17.856 1.00 0.00 C ATOM 186 C GLU A 81 9.262 -14.507 -17.090 1.00 0.00 C ATOM 187 O GLU A 81 9.448 -15.721 -17.156 1.00 0.00 O ATOM 188 CB GLU A 81 8.657 -13.214 -19.136 1.00 0.00 C ATOM 189 CG GLU A 81 7.492 -12.793 -20.033 1.00 0.00 C ATOM 190 CD GLU A 81 8.013 -12.033 -21.246 1.00 0.00 C ATOM 191 OE1 GLU A 81 9.214 -11.831 -21.324 1.00 0.00 O ATOM 192 OE2 GLU A 81 7.203 -11.658 -22.079 1.00 0.00 O ATOM 0 H GLU A 81 7.515 -11.887 -17.414 1.00 0.00 H new ATOM 0 HA GLU A 81 7.377 -14.612 -18.110 1.00 0.00 H new ATOM 0 HB2 GLU A 81 9.272 -12.348 -18.891 1.00 0.00 H new ATOM 0 HB3 GLU A 81 9.298 -13.921 -19.663 1.00 0.00 H new ATOM 0 HG2 GLU A 81 6.936 -13.673 -20.357 1.00 0.00 H new ATOM 0 HG3 GLU A 81 6.799 -12.166 -19.472 1.00 0.00 H new ATOM 199 N GLU A 82 10.023 -13.696 -16.362 1.00 0.00 N ATOM 200 CA GLU A 82 11.145 -14.214 -15.585 1.00 0.00 C ATOM 201 C GLU A 82 10.653 -15.163 -14.500 1.00 0.00 C ATOM 202 O GLU A 82 11.274 -16.192 -14.231 1.00 0.00 O ATOM 203 CB GLU A 82 11.917 -13.058 -14.945 1.00 0.00 C ATOM 204 CG GLU A 82 12.659 -12.277 -16.031 1.00 0.00 C ATOM 205 CD GLU A 82 13.331 -11.051 -15.422 1.00 0.00 C ATOM 206 OE1 GLU A 82 13.068 -10.768 -14.264 1.00 0.00 O ATOM 207 OE2 GLU A 82 14.096 -10.409 -16.123 1.00 0.00 O ATOM 0 H GLU A 82 9.886 -12.688 -16.293 1.00 0.00 H new ATOM 0 HA GLU A 82 11.805 -14.762 -16.258 1.00 0.00 H new ATOM 0 HB2 GLU A 82 11.231 -12.399 -14.413 1.00 0.00 H new ATOM 0 HB3 GLU A 82 12.625 -13.442 -14.210 1.00 0.00 H new ATOM 0 HG2 GLU A 82 13.406 -12.915 -16.504 1.00 0.00 H new ATOM 0 HG3 GLU A 82 11.962 -11.971 -16.811 1.00 0.00 H new ATOM 214 N GLU A 83 9.537 -14.809 -13.871 1.00 0.00 N ATOM 215 CA GLU A 83 8.977 -15.636 -12.811 1.00 0.00 C ATOM 216 C GLU A 83 8.565 -16.997 -13.361 1.00 0.00 C ATOM 217 O GLU A 83 8.783 -18.026 -12.724 1.00 0.00 O ATOM 218 CB GLU A 83 7.757 -14.939 -12.193 1.00 0.00 C ATOM 219 CG GLU A 83 7.213 -15.773 -11.024 1.00 0.00 C ATOM 220 CD GLU A 83 8.245 -15.827 -9.902 1.00 0.00 C ATOM 221 OE1 GLU A 83 9.130 -14.986 -9.899 1.00 0.00 O ATOM 222 OE2 GLU A 83 8.138 -16.710 -9.069 1.00 0.00 O ATOM 0 H GLU A 83 9.007 -13.962 -14.075 1.00 0.00 H new ATOM 0 HA GLU A 83 9.738 -15.781 -12.044 1.00 0.00 H new ATOM 0 HB2 GLU A 83 8.034 -13.945 -11.843 1.00 0.00 H new ATOM 0 HB3 GLU A 83 6.982 -14.807 -12.948 1.00 0.00 H new ATOM 0 HG2 GLU A 83 6.285 -15.337 -10.656 1.00 0.00 H new ATOM 0 HG3 GLU A 83 6.979 -16.782 -11.363 1.00 0.00 H new ATOM 229 N GLN A 84 7.960 -16.997 -14.545 1.00 0.00 N ATOM 230 CA GLN A 84 7.519 -18.243 -15.160 1.00 0.00 C ATOM 231 C GLN A 84 8.709 -19.165 -15.407 1.00 0.00 C ATOM 232 O GLN A 84 8.635 -20.369 -15.164 1.00 0.00 O ATOM 233 CB GLN A 84 6.811 -17.946 -16.484 1.00 0.00 C ATOM 234 CG GLN A 84 6.267 -19.247 -17.079 1.00 0.00 C ATOM 235 CD GLN A 84 5.411 -18.944 -18.303 1.00 0.00 C ATOM 236 OE1 GLN A 84 5.132 -17.779 -18.594 1.00 0.00 O ATOM 237 NE2 GLN A 84 4.971 -19.925 -19.042 1.00 0.00 N ATOM 0 H GLN A 84 7.766 -16.158 -15.092 1.00 0.00 H new ATOM 0 HA GLN A 84 6.825 -18.740 -14.483 1.00 0.00 H new ATOM 0 HB2 GLN A 84 5.997 -17.240 -16.322 1.00 0.00 H new ATOM 0 HB3 GLN A 84 7.505 -17.477 -17.182 1.00 0.00 H new ATOM 0 HG2 GLN A 84 7.093 -19.903 -17.356 1.00 0.00 H new ATOM 0 HG3 GLN A 84 5.675 -19.778 -16.333 1.00 0.00 H new ATOM 0 HE21 GLN A 84 5.202 -20.889 -18.801 1.00 0.00 H new ATOM 0 HE22 GLN A 84 4.396 -19.728 -19.861 1.00 0.00 H new ATOM 246 N PHE A 85 9.805 -18.591 -15.890 1.00 0.00 N ATOM 247 CA PHE A 85 11.004 -19.376 -16.166 1.00 0.00 C ATOM 248 C PHE A 85 11.533 -20.010 -14.876 1.00 0.00 C ATOM 249 O PHE A 85 11.860 -21.200 -14.838 1.00 0.00 O ATOM 250 CB PHE A 85 12.077 -18.477 -16.783 1.00 0.00 C ATOM 251 CG PHE A 85 13.258 -19.323 -17.198 1.00 0.00 C ATOM 252 CD1 PHE A 85 13.131 -20.204 -18.282 1.00 0.00 C ATOM 253 CD2 PHE A 85 14.479 -19.222 -16.519 1.00 0.00 C ATOM 254 CE1 PHE A 85 14.217 -20.992 -18.675 1.00 0.00 C ATOM 255 CE2 PHE A 85 15.566 -20.012 -16.914 1.00 0.00 C ATOM 256 CZ PHE A 85 15.438 -20.891 -17.996 1.00 0.00 C ATOM 0 H PHE A 85 9.889 -17.596 -16.097 1.00 0.00 H new ATOM 0 HA PHE A 85 10.752 -20.171 -16.868 1.00 0.00 H new ATOM 0 HB2 PHE A 85 11.673 -17.948 -17.646 1.00 0.00 H new ATOM 0 HB3 PHE A 85 12.392 -17.720 -16.064 1.00 0.00 H new ATOM 0 HD1 PHE A 85 12.193 -20.274 -18.814 1.00 0.00 H new ATOM 0 HD2 PHE A 85 14.582 -18.536 -15.692 1.00 0.00 H new ATOM 0 HE1 PHE A 85 14.114 -21.679 -19.502 1.00 0.00 H new ATOM 0 HE2 PHE A 85 16.504 -19.943 -16.383 1.00 0.00 H new ATOM 0 HZ PHE A 85 16.280 -21.491 -18.307 1.00 0.00 H new ATOM 266 N ALA A 86 11.608 -19.205 -13.821 1.00 0.00 N ATOM 267 CA ALA A 86 12.091 -19.696 -12.538 1.00 0.00 C ATOM 268 C ALA A 86 11.183 -20.806 -12.021 1.00 0.00 C ATOM 269 O ALA A 86 11.650 -21.794 -11.453 1.00 0.00 O ATOM 270 CB ALA A 86 12.138 -18.552 -11.521 1.00 0.00 C ATOM 0 H ALA A 86 11.343 -18.220 -13.829 1.00 0.00 H new ATOM 0 HA ALA A 86 13.096 -20.095 -12.675 1.00 0.00 H new ATOM 0 HB1 ALA A 86 12.500 -18.930 -10.565 1.00 0.00 H new ATOM 0 HB2 ALA A 86 12.809 -17.772 -11.881 1.00 0.00 H new ATOM 0 HB3 ALA A 86 11.138 -18.139 -11.392 1.00 0.00 H new ATOM 276 N LEU A 87 9.879 -20.635 -12.210 1.00 0.00 N ATOM 277 CA LEU A 87 8.920 -21.625 -11.747 1.00 0.00 C ATOM 278 C LEU A 87 9.160 -22.963 -12.451 1.00 0.00 C ATOM 279 O LEU A 87 9.067 -24.028 -11.837 1.00 0.00 O ATOM 280 CB LEU A 87 7.484 -21.129 -12.029 1.00 0.00 C ATOM 281 CG LEU A 87 6.542 -21.602 -10.915 1.00 0.00 C ATOM 282 CD1 LEU A 87 5.123 -21.117 -11.206 1.00 0.00 C ATOM 283 CD2 LEU A 87 6.564 -23.135 -10.831 1.00 0.00 C ATOM 0 H LEU A 87 9.467 -19.827 -12.677 1.00 0.00 H new ATOM 0 HA LEU A 87 9.046 -21.768 -10.674 1.00 0.00 H new ATOM 0 HB2 LEU A 87 7.471 -20.041 -12.091 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.142 -21.507 -12.992 1.00 0.00 H new ATOM 0 HG LEU A 87 6.874 -21.190 -9.962 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.454 -21.453 -10.414 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.113 -20.028 -11.251 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.788 -21.523 -12.161 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.893 -23.466 -10.038 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.237 -23.556 -11.782 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.577 -23.473 -10.613 1.00 0.00 H new ATOM 295 N ALA A 88 9.462 -22.897 -13.743 1.00 0.00 N ATOM 296 CA ALA A 88 9.702 -24.103 -14.519 1.00 0.00 C ATOM 297 C ALA A 88 10.878 -24.875 -13.940 1.00 0.00 C ATOM 298 O ALA A 88 10.849 -26.105 -13.861 1.00 0.00 O ATOM 299 CB ALA A 88 9.989 -23.739 -15.974 1.00 0.00 C ATOM 0 H ALA A 88 9.545 -22.027 -14.270 1.00 0.00 H new ATOM 0 HA ALA A 88 8.811 -24.730 -14.476 1.00 0.00 H new ATOM 0 HB1 ALA A 88 10.168 -24.648 -16.548 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.134 -23.208 -16.392 1.00 0.00 H new ATOM 0 HB3 ALA A 88 10.871 -23.100 -16.022 1.00 0.00 H new ATOM 305 N LEU A 89 11.907 -24.147 -13.532 1.00 0.00 N ATOM 306 CA LEU A 89 13.089 -24.775 -12.949 1.00 0.00 C ATOM 307 C LEU A 89 12.742 -25.463 -11.635 1.00 0.00 C ATOM 308 O LEU A 89 13.268 -26.530 -11.326 1.00 0.00 O ATOM 309 CB LEU A 89 14.171 -23.723 -12.708 1.00 0.00 C ATOM 310 CG LEU A 89 14.674 -23.193 -14.059 1.00 0.00 C ATOM 311 CD1 LEU A 89 15.591 -21.988 -13.819 1.00 0.00 C ATOM 312 CD2 LEU A 89 15.448 -24.294 -14.821 1.00 0.00 C ATOM 0 H LEU A 89 11.950 -23.130 -13.592 1.00 0.00 H new ATOM 0 HA LEU A 89 13.460 -25.525 -13.648 1.00 0.00 H new ATOM 0 HB2 LEU A 89 13.772 -22.904 -12.109 1.00 0.00 H new ATOM 0 HB3 LEU A 89 14.997 -24.157 -12.144 1.00 0.00 H new ATOM 0 HG LEU A 89 13.818 -22.892 -14.663 1.00 0.00 H new ATOM 0 HD11 LEU A 89 15.951 -21.608 -14.775 1.00 0.00 H new ATOM 0 HD12 LEU A 89 15.035 -21.205 -13.303 1.00 0.00 H new ATOM 0 HD13 LEU A 89 16.440 -22.293 -13.207 1.00 0.00 H new ATOM 0 HD21 LEU A 89 15.796 -23.900 -15.776 1.00 0.00 H new ATOM 0 HD22 LEU A 89 16.304 -24.615 -14.227 1.00 0.00 H new ATOM 0 HD23 LEU A 89 14.790 -25.145 -14.998 1.00 0.00 H new ATOM 324 N LYS A 90 11.860 -24.843 -10.862 1.00 0.00 N ATOM 325 CA LYS A 90 11.460 -25.405 -9.576 1.00 0.00 C ATOM 326 C LYS A 90 10.767 -26.748 -9.770 1.00 0.00 C ATOM 327 O LYS A 90 10.995 -27.691 -9.010 1.00 0.00 O ATOM 328 CB LYS A 90 10.517 -24.439 -8.861 1.00 0.00 C ATOM 329 CG LYS A 90 11.297 -23.208 -8.392 1.00 0.00 C ATOM 330 CD LYS A 90 10.343 -22.231 -7.702 1.00 0.00 C ATOM 331 CE LYS A 90 11.129 -21.016 -7.205 1.00 0.00 C ATOM 332 NZ LYS A 90 11.728 -20.305 -8.370 1.00 0.00 N ATOM 0 H LYS A 90 11.411 -23.959 -11.099 1.00 0.00 H new ATOM 0 HA LYS A 90 12.354 -25.557 -8.971 1.00 0.00 H new ATOM 0 HB2 LYS A 90 9.712 -24.138 -9.532 1.00 0.00 H new ATOM 0 HB3 LYS A 90 10.052 -24.934 -8.008 1.00 0.00 H new ATOM 0 HG2 LYS A 90 12.089 -23.506 -7.705 1.00 0.00 H new ATOM 0 HG3 LYS A 90 11.778 -22.724 -9.242 1.00 0.00 H new ATOM 0 HD2 LYS A 90 9.564 -21.915 -8.396 1.00 0.00 H new ATOM 0 HD3 LYS A 90 9.845 -22.722 -6.866 1.00 0.00 H new ATOM 0 HE2 LYS A 90 10.471 -20.344 -6.654 1.00 0.00 H new ATOM 0 HE3 LYS A 90 11.912 -21.332 -6.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 11.963 -19.329 -8.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 12.592 -20.799 -8.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 11.047 -20.290 -9.156 1.00 0.00 H new ATOM 346 N MET A 91 9.923 -26.832 -10.789 1.00 0.00 N ATOM 347 CA MET A 91 9.211 -28.073 -11.065 1.00 0.00 C ATOM 348 C MET A 91 10.185 -29.181 -11.452 1.00 0.00 C ATOM 349 O MET A 91 10.026 -30.329 -11.038 1.00 0.00 O ATOM 350 CB MET A 91 8.199 -27.866 -12.195 1.00 0.00 C ATOM 351 CG MET A 91 7.040 -26.991 -11.699 1.00 0.00 C ATOM 352 SD MET A 91 5.679 -27.042 -12.894 1.00 0.00 S ATOM 353 CE MET A 91 6.407 -25.954 -14.137 1.00 0.00 C ATOM 0 H MET A 91 9.716 -26.067 -11.431 1.00 0.00 H new ATOM 0 HA MET A 91 8.684 -28.367 -10.158 1.00 0.00 H new ATOM 0 HB2 MET A 91 8.685 -27.393 -13.049 1.00 0.00 H new ATOM 0 HB3 MET A 91 7.820 -28.829 -12.537 1.00 0.00 H new ATOM 0 HG2 MET A 91 6.696 -27.344 -10.727 1.00 0.00 H new ATOM 0 HG3 MET A 91 7.379 -25.964 -11.564 1.00 0.00 H new ATOM 0 HE1 MET A 91 5.652 -25.691 -14.877 1.00 0.00 H new ATOM 0 HE2 MET A 91 6.775 -25.048 -13.656 1.00 0.00 H new ATOM 0 HE3 MET A 91 7.234 -26.466 -14.629 1.00 0.00 H new ATOM 363 N SER A 92 11.189 -28.833 -12.245 1.00 0.00 N ATOM 364 CA SER A 92 12.176 -29.814 -12.682 1.00 0.00 C ATOM 365 C SER A 92 12.923 -30.391 -11.482 1.00 0.00 C ATOM 366 O SER A 92 13.227 -31.581 -11.439 1.00 0.00 O ATOM 367 CB SER A 92 13.173 -29.155 -13.637 1.00 0.00 C ATOM 368 OG SER A 92 13.892 -28.145 -12.937 1.00 0.00 O ATOM 0 H SER A 92 11.342 -27.888 -12.597 1.00 0.00 H new ATOM 0 HA SER A 92 11.658 -30.623 -13.197 1.00 0.00 H new ATOM 0 HB2 SER A 92 13.862 -29.900 -14.034 1.00 0.00 H new ATOM 0 HB3 SER A 92 12.648 -28.721 -14.488 1.00 0.00 H new ATOM 0 HG SER A 92 13.293 -27.695 -12.305 1.00 0.00 H new ATOM 374 N GLU A 93 13.207 -29.536 -10.506 1.00 0.00 N ATOM 375 CA GLU A 93 13.909 -29.970 -9.304 1.00 0.00 C ATOM 376 C GLU A 93 13.049 -30.947 -8.512 1.00 0.00 C ATOM 377 O GLU A 93 13.552 -31.916 -7.944 1.00 0.00 O ATOM 378 CB GLU A 93 14.256 -28.763 -8.432 1.00 0.00 C ATOM 379 CG GLU A 93 15.283 -27.889 -9.156 1.00 0.00 C ATOM 380 CD GLU A 93 16.625 -28.608 -9.229 1.00 0.00 C ATOM 381 OE1 GLU A 93 16.793 -29.581 -8.514 1.00 0.00 O ATOM 382 OE2 GLU A 93 17.463 -28.176 -10.003 1.00 0.00 O ATOM 0 H GLU A 93 12.964 -28.545 -10.523 1.00 0.00 H new ATOM 0 HA GLU A 93 14.830 -30.471 -9.603 1.00 0.00 H new ATOM 0 HB2 GLU A 93 13.357 -28.185 -8.218 1.00 0.00 H new ATOM 0 HB3 GLU A 93 14.656 -29.096 -7.474 1.00 0.00 H new ATOM 0 HG2 GLU A 93 14.931 -27.657 -10.161 1.00 0.00 H new ATOM 0 HG3 GLU A 93 15.398 -26.940 -8.632 1.00 0.00 H new ATOM 389 N GLN A 94 11.745 -30.684 -8.474 1.00 0.00 N ATOM 390 CA GLN A 94 10.826 -31.551 -7.744 1.00 0.00 C ATOM 391 C GLN A 94 10.834 -32.961 -8.328 1.00 0.00 C ATOM 392 O GLN A 94 10.854 -33.950 -7.593 1.00 0.00 O ATOM 393 CB GLN A 94 9.406 -30.976 -7.812 1.00 0.00 C ATOM 394 CG GLN A 94 9.322 -29.709 -6.959 1.00 0.00 C ATOM 395 CD GLN A 94 7.975 -29.024 -7.175 1.00 0.00 C ATOM 396 OE1 GLN A 94 7.408 -29.093 -8.265 1.00 0.00 O ATOM 397 NE2 GLN A 94 7.423 -28.371 -6.189 1.00 0.00 N ATOM 0 H GLN A 94 11.305 -29.887 -8.934 1.00 0.00 H new ATOM 0 HA GLN A 94 11.152 -31.602 -6.705 1.00 0.00 H new ATOM 0 HB2 GLN A 94 9.144 -30.748 -8.845 1.00 0.00 H new ATOM 0 HB3 GLN A 94 8.687 -31.714 -7.456 1.00 0.00 H new ATOM 0 HG2 GLN A 94 9.447 -29.961 -5.906 1.00 0.00 H new ATOM 0 HG3 GLN A 94 10.132 -29.029 -7.222 1.00 0.00 H new ATOM 0 HE21 GLN A 94 7.895 -28.315 -5.287 1.00 0.00 H new ATOM 0 HE22 GLN A 94 6.520 -27.916 -6.321 1.00 0.00 H new ATOM 406 N GLU A 95 10.840 -33.049 -9.651 1.00 0.00 N ATOM 407 CA GLU A 95 10.856 -34.349 -10.312 1.00 0.00 C ATOM 408 C GLU A 95 12.120 -35.114 -9.939 1.00 0.00 C ATOM 409 O GLU A 95 12.075 -36.318 -9.690 1.00 0.00 O ATOM 410 CB GLU A 95 10.788 -34.158 -11.836 1.00 0.00 C ATOM 411 CG GLU A 95 9.342 -33.899 -12.270 1.00 0.00 C ATOM 412 CD GLU A 95 8.866 -32.555 -11.735 1.00 0.00 C ATOM 413 OE1 GLU A 95 8.645 -32.461 -10.541 1.00 0.00 O ATOM 414 OE2 GLU A 95 8.729 -31.639 -12.529 1.00 0.00 O ATOM 0 H GLU A 95 10.834 -32.248 -10.282 1.00 0.00 H new ATOM 0 HA GLU A 95 9.990 -34.924 -9.984 1.00 0.00 H new ATOM 0 HB2 GLU A 95 11.421 -33.322 -12.134 1.00 0.00 H new ATOM 0 HB3 GLU A 95 11.174 -35.045 -12.339 1.00 0.00 H new ATOM 0 HG2 GLU A 95 9.273 -33.911 -13.358 1.00 0.00 H new ATOM 0 HG3 GLU A 95 8.696 -34.695 -11.901 1.00 0.00 H new ATOM 421 N ALA A 96 13.239 -34.413 -9.904 1.00 0.00 N ATOM 422 CA ALA A 96 14.508 -35.039 -9.546 1.00 0.00 C ATOM 423 C ALA A 96 14.507 -35.470 -8.081 1.00 0.00 C ATOM 424 O ALA A 96 15.048 -36.517 -7.725 1.00 0.00 O ATOM 425 CB ALA A 96 15.661 -34.073 -9.804 1.00 0.00 C ATOM 0 H ALA A 96 13.300 -33.417 -10.117 1.00 0.00 H new ATOM 0 HA ALA A 96 14.638 -35.926 -10.166 1.00 0.00 H new ATOM 0 HB1 ALA A 96 16.603 -34.550 -9.533 1.00 0.00 H new ATOM 0 HB2 ALA A 96 15.681 -33.804 -10.860 1.00 0.00 H new ATOM 0 HB3 ALA A 96 15.524 -33.174 -9.203 1.00 0.00 H new ATOM 431 N ARG A 97 13.908 -34.646 -7.230 1.00 0.00 N ATOM 432 CA ARG A 97 13.847 -34.936 -5.801 1.00 0.00 C ATOM 433 C ARG A 97 13.007 -36.171 -5.534 1.00 0.00 C ATOM 434 O ARG A 97 13.164 -36.831 -4.504 1.00 0.00 O ATOM 435 CB ARG A 97 13.270 -33.736 -5.050 1.00 0.00 C ATOM 436 CG ARG A 97 14.283 -32.573 -5.057 1.00 0.00 C ATOM 437 CD ARG A 97 15.259 -32.722 -3.883 1.00 0.00 C ATOM 438 NE ARG A 97 16.228 -31.637 -3.896 1.00 0.00 N ATOM 439 CZ ARG A 97 15.942 -30.457 -3.360 1.00 0.00 C ATOM 440 NH1 ARG A 97 14.775 -30.254 -2.813 1.00 0.00 N ATOM 441 NH2 ARG A 97 16.829 -29.502 -3.380 1.00 0.00 N ATOM 0 H ARG A 97 13.458 -33.772 -7.503 1.00 0.00 H new ATOM 0 HA ARG A 97 14.859 -35.129 -5.446 1.00 0.00 H new ATOM 0 HB2 ARG A 97 12.337 -33.419 -5.516 1.00 0.00 H new ATOM 0 HB3 ARG A 97 13.034 -34.018 -4.024 1.00 0.00 H new ATOM 0 HG2 ARG A 97 14.832 -32.564 -5.999 1.00 0.00 H new ATOM 0 HG3 ARG A 97 13.757 -31.621 -4.985 1.00 0.00 H new ATOM 0 HD2 ARG A 97 14.710 -32.718 -2.941 1.00 0.00 H new ATOM 0 HD3 ARG A 97 15.774 -33.680 -3.948 1.00 0.00 H new ATOM 0 HE ARG A 97 17.142 -31.786 -4.324 1.00 0.00 H new ATOM 0 HH11 ARG A 97 14.082 -31.002 -2.797 1.00 0.00 H new ATOM 0 HH12 ARG A 97 14.556 -29.347 -2.401 1.00 0.00 H new ATOM 0 HH21 ARG A 97 17.741 -29.662 -3.807 1.00 0.00 H new ATOM 0 HH22 ARG A 97 16.611 -28.595 -2.969 1.00 0.00 H new ATOM 455 N GLU A 98 12.113 -36.479 -6.462 1.00 0.00 N ATOM 456 CA GLU A 98 11.251 -37.646 -6.311 1.00 0.00 C ATOM 457 C GLU A 98 12.031 -38.932 -6.512 1.00 0.00 C ATOM 458 O GLU A 98 11.552 -40.019 -6.194 1.00 0.00 O ATOM 459 CB GLU A 98 10.099 -37.579 -7.321 1.00 0.00 C ATOM 460 CG GLU A 98 9.074 -36.535 -6.877 1.00 0.00 C ATOM 461 CD GLU A 98 8.093 -36.255 -8.011 1.00 0.00 C ATOM 462 OE1 GLU A 98 8.385 -36.642 -9.131 1.00 0.00 O ATOM 463 OE2 GLU A 98 7.066 -35.656 -7.743 1.00 0.00 O ATOM 0 H GLU A 98 11.965 -35.945 -7.319 1.00 0.00 H new ATOM 0 HA GLU A 98 10.850 -37.642 -5.297 1.00 0.00 H new ATOM 0 HB2 GLU A 98 10.485 -37.325 -8.308 1.00 0.00 H new ATOM 0 HB3 GLU A 98 9.622 -38.555 -7.406 1.00 0.00 H new ATOM 0 HG2 GLU A 98 8.536 -36.892 -5.999 1.00 0.00 H new ATOM 0 HG3 GLU A 98 9.581 -35.615 -6.588 1.00 0.00 H new ATOM 470 N VAL A 99 13.238 -38.801 -7.023 1.00 0.00 N ATOM 471 CA VAL A 99 14.089 -39.967 -7.251 1.00 0.00 C ATOM 472 C VAL A 99 14.792 -40.369 -5.961 1.00 0.00 C ATOM 473 O VAL A 99 15.433 -39.539 -5.313 1.00 0.00 O ATOM 474 CB VAL A 99 15.126 -39.658 -8.334 1.00 0.00 C ATOM 475 CG1 VAL A 99 16.020 -40.884 -8.555 1.00 0.00 C ATOM 476 CG2 VAL A 99 14.408 -39.311 -9.639 1.00 0.00 C ATOM 0 H VAL A 99 13.656 -37.909 -7.289 1.00 0.00 H new ATOM 0 HA VAL A 99 13.463 -40.795 -7.584 1.00 0.00 H new ATOM 0 HB VAL A 99 15.740 -38.815 -8.018 1.00 0.00 H new ATOM 0 HG11 VAL A 99 16.758 -40.662 -9.326 1.00 0.00 H new ATOM 0 HG12 VAL A 99 16.531 -41.134 -7.625 1.00 0.00 H new ATOM 0 HG13 VAL A 99 15.408 -41.729 -8.871 1.00 0.00 H new ATOM 0 HG21 VAL A 99 15.144 -39.091 -10.412 1.00 0.00 H new ATOM 0 HG22 VAL A 99 13.795 -40.156 -9.953 1.00 0.00 H new ATOM 0 HG23 VAL A 99 13.773 -38.439 -9.484 1.00 0.00 H new ATOM 603 N GLU A 108 23.547 -51.411 -5.164 1.00 0.00 N ATOM 604 CA GLU A 108 24.988 -51.630 -5.246 1.00 0.00 C ATOM 605 C GLU A 108 25.453 -52.569 -4.137 1.00 0.00 C ATOM 606 O GLU A 108 26.278 -53.451 -4.363 1.00 0.00 O ATOM 607 CB GLU A 108 25.721 -50.293 -5.127 1.00 0.00 C ATOM 608 CG GLU A 108 25.466 -49.456 -6.382 1.00 0.00 C ATOM 609 CD GLU A 108 26.190 -48.119 -6.275 1.00 0.00 C ATOM 610 OE1 GLU A 108 27.277 -48.099 -5.721 1.00 0.00 O ATOM 611 OE2 GLU A 108 25.645 -47.133 -6.744 1.00 0.00 O ATOM 0 HA GLU A 108 25.215 -52.087 -6.209 1.00 0.00 H new ATOM 0 HB2 GLU A 108 25.378 -49.756 -4.243 1.00 0.00 H new ATOM 0 HB3 GLU A 108 26.790 -50.463 -5.002 1.00 0.00 H new ATOM 0 HG2 GLU A 108 25.810 -49.995 -7.265 1.00 0.00 H new ATOM 0 HG3 GLU A 108 24.396 -49.290 -6.507 1.00 0.00 H new ATOM 618 N LEU A 109 24.921 -52.370 -2.935 1.00 0.00 N ATOM 619 CA LEU A 109 25.301 -53.208 -1.800 1.00 0.00 C ATOM 620 C LEU A 109 24.818 -54.637 -1.995 1.00 0.00 C ATOM 621 O LEU A 109 25.540 -55.590 -1.706 1.00 0.00 O ATOM 622 CB LEU A 109 24.705 -52.615 -0.500 1.00 0.00 C ATOM 623 CG LEU A 109 25.724 -51.693 0.176 1.00 0.00 C ATOM 624 CD1 LEU A 109 26.020 -50.496 -0.729 1.00 0.00 C ATOM 625 CD2 LEU A 109 25.155 -51.202 1.506 1.00 0.00 C ATOM 0 H LEU A 109 24.235 -51.646 -2.722 1.00 0.00 H new ATOM 0 HA LEU A 109 26.388 -53.227 -1.726 1.00 0.00 H new ATOM 0 HB2 LEU A 109 23.796 -52.059 -0.729 1.00 0.00 H new ATOM 0 HB3 LEU A 109 24.424 -53.419 0.180 1.00 0.00 H new ATOM 0 HG LEU A 109 26.648 -52.243 0.354 1.00 0.00 H new ATOM 0 HD11 LEU A 109 26.745 -49.843 -0.243 1.00 0.00 H new ATOM 0 HD12 LEU A 109 26.426 -50.848 -1.677 1.00 0.00 H new ATOM 0 HD13 LEU A 109 25.099 -49.942 -0.912 1.00 0.00 H new ATOM 0 HD21 LEU A 109 25.877 -50.545 1.991 1.00 0.00 H new ATOM 0 HD22 LEU A 109 24.230 -50.654 1.326 1.00 0.00 H new ATOM 0 HD23 LEU A 109 24.951 -52.056 2.152 1.00 0.00 H new ATOM 637 N LEU A 110 23.599 -54.782 -2.485 1.00 0.00 N ATOM 638 CA LEU A 110 23.041 -56.108 -2.707 1.00 0.00 C ATOM 639 C LEU A 110 23.847 -56.854 -3.753 1.00 0.00 C ATOM 640 O LEU A 110 24.119 -58.046 -3.608 1.00 0.00 O ATOM 641 CB LEU A 110 21.566 -55.983 -3.146 1.00 0.00 C ATOM 642 CG LEU A 110 20.639 -56.177 -1.928 1.00 0.00 C ATOM 643 CD1 LEU A 110 20.675 -57.660 -1.463 1.00 0.00 C ATOM 644 CD2 LEU A 110 21.085 -55.240 -0.770 1.00 0.00 C ATOM 0 H LEU A 110 22.982 -54.009 -2.735 1.00 0.00 H new ATOM 0 HA LEU A 110 23.087 -56.674 -1.777 1.00 0.00 H new ATOM 0 HB2 LEU A 110 21.392 -55.005 -3.594 1.00 0.00 H new ATOM 0 HB3 LEU A 110 21.340 -56.728 -3.909 1.00 0.00 H new ATOM 0 HG LEU A 110 19.618 -55.924 -2.213 1.00 0.00 H new ATOM 0 HD11 LEU A 110 20.018 -57.788 -0.603 1.00 0.00 H new ATOM 0 HD12 LEU A 110 20.339 -58.304 -2.275 1.00 0.00 H new ATOM 0 HD13 LEU A 110 21.694 -57.929 -1.184 1.00 0.00 H new ATOM 0 HD21 LEU A 110 20.426 -55.382 0.087 1.00 0.00 H new ATOM 0 HD22 LEU A 110 22.109 -55.478 -0.484 1.00 0.00 H new ATOM 0 HD23 LEU A 110 21.032 -54.203 -1.100 1.00 0.00 H new ATOM 656 N ARG A 111 24.218 -56.150 -4.808 1.00 0.00 N ATOM 657 CA ARG A 111 24.989 -56.758 -5.874 1.00 0.00 C ATOM 658 C ARG A 111 26.349 -57.208 -5.358 1.00 0.00 C ATOM 659 O ARG A 111 26.836 -58.280 -5.715 1.00 0.00 O ATOM 660 CB ARG A 111 25.165 -55.766 -7.024 1.00 0.00 C ATOM 661 CG ARG A 111 25.812 -56.475 -8.217 1.00 0.00 C ATOM 662 CD ARG A 111 26.101 -55.455 -9.318 1.00 0.00 C ATOM 663 NE ARG A 111 27.179 -54.562 -8.907 1.00 0.00 N ATOM 664 CZ ARG A 111 27.435 -53.443 -9.575 1.00 0.00 C ATOM 665 NH1 ARG A 111 26.710 -53.122 -10.611 1.00 0.00 N ATOM 666 NH2 ARG A 111 28.412 -52.665 -9.195 1.00 0.00 N ATOM 0 H ARG A 111 23.999 -55.164 -4.948 1.00 0.00 H new ATOM 0 HA ARG A 111 24.450 -57.632 -6.239 1.00 0.00 H new ATOM 0 HB2 ARG A 111 24.198 -55.353 -7.313 1.00 0.00 H new ATOM 0 HB3 ARG A 111 25.786 -54.929 -6.704 1.00 0.00 H new ATOM 0 HG2 ARG A 111 26.736 -56.963 -7.907 1.00 0.00 H new ATOM 0 HG3 ARG A 111 25.150 -57.255 -8.593 1.00 0.00 H new ATOM 0 HD2 ARG A 111 26.377 -55.970 -10.238 1.00 0.00 H new ATOM 0 HD3 ARG A 111 25.202 -54.877 -9.533 1.00 0.00 H new ATOM 0 HE ARG A 111 27.745 -54.801 -8.093 1.00 0.00 H new ATOM 0 HH11 ARG A 111 25.947 -53.730 -10.908 1.00 0.00 H new ATOM 0 HH12 ARG A 111 26.906 -52.263 -11.124 1.00 0.00 H new ATOM 0 HH21 ARG A 111 28.979 -52.917 -8.385 1.00 0.00 H new ATOM 0 HH22 ARG A 111 28.609 -51.806 -9.708 1.00 0.00 H new ATOM 680 N LYS A 112 26.959 -56.379 -4.520 1.00 0.00 N ATOM 681 CA LYS A 112 28.264 -56.699 -3.964 1.00 0.00 C ATOM 682 C LYS A 112 28.190 -57.963 -3.115 1.00 0.00 C ATOM 683 O LYS A 112 29.065 -58.823 -3.194 1.00 0.00 O ATOM 684 CB LYS A 112 28.759 -55.537 -3.108 1.00 0.00 C ATOM 685 CG LYS A 112 30.206 -55.797 -2.666 1.00 0.00 C ATOM 686 CD LYS A 112 30.655 -54.718 -1.674 1.00 0.00 C ATOM 687 CE LYS A 112 30.892 -53.394 -2.408 1.00 0.00 C ATOM 688 NZ LYS A 112 31.501 -52.414 -1.471 1.00 0.00 N ATOM 0 H LYS A 112 26.573 -55.486 -4.213 1.00 0.00 H new ATOM 0 HA LYS A 112 28.959 -56.869 -4.786 1.00 0.00 H new ATOM 0 HB2 LYS A 112 28.703 -54.607 -3.674 1.00 0.00 H new ATOM 0 HB3 LYS A 112 28.118 -55.418 -2.235 1.00 0.00 H new ATOM 0 HG2 LYS A 112 30.282 -56.781 -2.204 1.00 0.00 H new ATOM 0 HG3 LYS A 112 30.865 -55.801 -3.534 1.00 0.00 H new ATOM 0 HD2 LYS A 112 29.897 -54.584 -0.902 1.00 0.00 H new ATOM 0 HD3 LYS A 112 31.569 -55.033 -1.171 1.00 0.00 H new ATOM 0 HE2 LYS A 112 31.548 -53.552 -3.264 1.00 0.00 H new ATOM 0 HE3 LYS A 112 29.950 -53.006 -2.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 31.663 -51.514 -1.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 30.859 -52.256 -0.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 32.408 -52.785 -1.122 1.00 0.00 H new ATOM 702 N ALA A 113 27.143 -58.065 -2.301 1.00 0.00 N ATOM 703 CA ALA A 113 26.976 -59.225 -1.440 1.00 0.00 C ATOM 704 C ALA A 113 26.871 -60.494 -2.278 1.00 0.00 C ATOM 705 O ALA A 113 27.445 -61.527 -1.932 1.00 0.00 O ATOM 706 CB ALA A 113 25.713 -59.067 -0.591 1.00 0.00 C ATOM 0 H ALA A 113 26.406 -57.365 -2.222 1.00 0.00 H new ATOM 0 HA ALA A 113 27.845 -59.301 -0.786 1.00 0.00 H new ATOM 0 HB1 ALA A 113 25.595 -59.940 0.051 1.00 0.00 H new ATOM 0 HB2 ALA A 113 25.798 -58.172 0.025 1.00 0.00 H new ATOM 0 HB3 ALA A 113 24.845 -58.977 -1.244 1.00 0.00 H new ATOM 712 N ILE A 114 26.137 -60.409 -3.383 1.00 0.00 N ATOM 713 CA ILE A 114 25.971 -61.558 -4.264 1.00 0.00 C ATOM 714 C ILE A 114 27.311 -61.965 -4.874 1.00 0.00 C ATOM 715 O ILE A 114 27.650 -63.147 -4.922 1.00 0.00 O ATOM 716 CB ILE A 114 24.977 -61.220 -5.378 1.00 0.00 C ATOM 717 CG1 ILE A 114 23.586 -61.020 -4.770 1.00 0.00 C ATOM 718 CG2 ILE A 114 24.923 -62.373 -6.385 1.00 0.00 C ATOM 719 CD1 ILE A 114 22.656 -60.402 -5.813 1.00 0.00 C ATOM 0 H ILE A 114 25.652 -59.565 -3.687 1.00 0.00 H new ATOM 0 HA ILE A 114 25.587 -62.392 -3.677 1.00 0.00 H new ATOM 0 HB ILE A 114 25.295 -60.308 -5.884 1.00 0.00 H new ATOM 0 HG12 ILE A 114 23.185 -61.975 -4.431 1.00 0.00 H new ATOM 0 HG13 ILE A 114 23.650 -60.373 -3.895 1.00 0.00 H new ATOM 0 HG21 ILE A 114 24.215 -62.131 -7.178 1.00 0.00 H new ATOM 0 HG22 ILE A 114 25.912 -62.526 -6.816 1.00 0.00 H new ATOM 0 HG23 ILE A 114 24.603 -63.284 -5.879 1.00 0.00 H new ATOM 0 HD11 ILE A 114 21.666 -60.260 -5.379 1.00 0.00 H new ATOM 0 HD12 ILE A 114 23.055 -59.438 -6.131 1.00 0.00 H new ATOM 0 HD13 ILE A 114 22.583 -61.066 -6.674 1.00 0.00 H new ATOM 731 N ALA A 115 28.065 -60.977 -5.348 1.00 0.00 N ATOM 732 CA ALA A 115 29.361 -61.246 -5.960 1.00 0.00 C ATOM 733 C ALA A 115 30.314 -61.878 -4.951 1.00 0.00 C ATOM 734 O ALA A 115 31.052 -62.809 -5.277 1.00 0.00 O ATOM 735 CB ALA A 115 29.966 -59.947 -6.493 1.00 0.00 C ATOM 0 H ALA A 115 27.803 -59.992 -5.320 1.00 0.00 H new ATOM 0 HA ALA A 115 29.213 -61.943 -6.784 1.00 0.00 H new ATOM 0 HB1 ALA A 115 30.934 -60.156 -6.949 1.00 0.00 H new ATOM 0 HB2 ALA A 115 29.300 -59.515 -7.239 1.00 0.00 H new ATOM 0 HB3 ALA A 115 30.096 -59.242 -5.672 1.00 0.00 H new ATOM 741 N GLU A 116 30.289 -61.370 -3.724 1.00 0.00 N ATOM 742 CA GLU A 116 31.152 -61.896 -2.672 1.00 0.00 C ATOM 743 C GLU A 116 30.807 -63.349 -2.368 1.00 0.00 C ATOM 744 O GLU A 116 31.698 -64.172 -2.155 1.00 0.00 O ATOM 745 CB GLU A 116 30.995 -61.053 -1.403 1.00 0.00 C ATOM 746 CG GLU A 116 31.649 -59.685 -1.606 1.00 0.00 C ATOM 747 CD GLU A 116 33.166 -59.840 -1.631 1.00 0.00 C ATOM 748 OE1 GLU A 116 33.652 -60.823 -1.095 1.00 0.00 O ATOM 749 OE2 GLU A 116 33.824 -58.972 -2.182 1.00 0.00 O ATOM 0 H GLU A 116 29.686 -60.600 -3.434 1.00 0.00 H new ATOM 0 HA GLU A 116 32.185 -61.848 -3.016 1.00 0.00 H new ATOM 0 HB2 GLU A 116 29.938 -60.930 -1.166 1.00 0.00 H new ATOM 0 HB3 GLU A 116 31.454 -61.564 -0.557 1.00 0.00 H new ATOM 0 HG2 GLU A 116 31.304 -59.241 -2.540 1.00 0.00 H new ATOM 0 HG3 GLU A 116 31.356 -59.008 -0.803 1.00 0.00 H new ATOM 756 N SER A 117 29.516 -63.657 -2.347 1.00 0.00 N ATOM 757 CA SER A 117 29.077 -65.018 -2.062 1.00 0.00 C ATOM 758 C SER A 117 29.538 -65.973 -3.158 1.00 0.00 C ATOM 759 O SER A 117 29.946 -67.100 -2.883 1.00 0.00 O ATOM 760 CB SER A 117 27.553 -65.058 -1.957 1.00 0.00 C ATOM 761 OG SER A 117 26.987 -64.710 -3.214 1.00 0.00 O ATOM 0 H SER A 117 28.762 -62.992 -2.522 1.00 0.00 H new ATOM 0 HA SER A 117 29.518 -65.332 -1.116 1.00 0.00 H new ATOM 0 HB2 SER A 117 27.223 -66.053 -1.660 1.00 0.00 H new ATOM 0 HB3 SER A 117 27.212 -64.366 -1.187 1.00 0.00 H new ATOM 0 HG SER A 117 27.556 -64.046 -3.657 1.00 0.00 H new ATOM 767 N LEU A 118 29.475 -65.513 -4.403 1.00 0.00 N ATOM 768 CA LEU A 118 29.893 -66.337 -5.534 1.00 0.00 C ATOM 769 C LEU A 118 31.408 -66.493 -5.551 1.00 0.00 C ATOM 770 O LEU A 118 31.927 -67.542 -5.931 1.00 0.00 O ATOM 771 CB LEU A 118 29.428 -65.696 -6.841 1.00 0.00 C ATOM 772 CG LEU A 118 27.892 -65.696 -6.894 1.00 0.00 C ATOM 773 CD1 LEU A 118 27.427 -64.874 -8.101 1.00 0.00 C ATOM 774 CD2 LEU A 118 27.354 -67.139 -7.009 1.00 0.00 C ATOM 0 H LEU A 118 29.142 -64.582 -4.655 1.00 0.00 H new ATOM 0 HA LEU A 118 29.441 -67.323 -5.431 1.00 0.00 H new ATOM 0 HB2 LEU A 118 29.805 -64.676 -6.912 1.00 0.00 H new ATOM 0 HB3 LEU A 118 29.832 -66.245 -7.692 1.00 0.00 H new ATOM 0 HG LEU A 118 27.506 -65.254 -5.975 1.00 0.00 H new ATOM 0 HD11 LEU A 118 26.338 -64.872 -8.142 1.00 0.00 H new ATOM 0 HD12 LEU A 118 27.789 -63.850 -8.005 1.00 0.00 H new ATOM 0 HD13 LEU A 118 27.823 -65.315 -9.016 1.00 0.00 H new ATOM 0 HD21 LEU A 118 26.265 -67.119 -7.045 1.00 0.00 H new ATOM 0 HD22 LEU A 118 27.739 -67.599 -7.919 1.00 0.00 H new ATOM 0 HD23 LEU A 118 27.678 -67.718 -6.144 1.00 0.00 H new