USER MOD reduce.3.24.130724 H: found=0, std=0, add=258, rem=0, adj=5 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 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0.2 USER MOD Single : A 84 GLN : amide:sc= -0.209 X(o=-0.21,f=-0.21) USER MOD Single : A 90 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.182) USER MOD Single : A 91 MET CE :methyl -156:sc= -0.11 (180deg=-0.725) USER MOD Single : A 92 SER OG : rot -36:sc= 0.634 USER MOD Single : A 94 GLN : amide:sc=-0.000745 K(o=-0.00074,f=-1.9) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 SER OG : rot 74:sc= 0.781 USER MOD ----------------------------------------------------------------- ATOM 153 N MET A 79 1.574 -13.790 -13.527 1.00 0.00 N ATOM 154 CA MET A 79 2.986 -14.113 -13.342 1.00 0.00 C ATOM 155 C MET A 79 3.821 -13.534 -14.479 1.00 0.00 C ATOM 156 O MET A 79 3.410 -13.557 -15.638 1.00 0.00 O ATOM 157 CB MET A 79 3.169 -15.631 -13.296 1.00 0.00 C ATOM 158 CG MET A 79 2.278 -16.221 -12.200 1.00 0.00 C ATOM 159 SD MET A 79 2.777 -15.564 -10.587 1.00 0.00 S ATOM 160 CE MET A 79 1.460 -16.333 -9.613 1.00 0.00 C ATOM 0 HA MET A 79 3.321 -13.676 -12.401 1.00 0.00 H new ATOM 0 HB2 MET A 79 2.913 -16.068 -14.261 1.00 0.00 H new ATOM 0 HB3 MET A 79 4.213 -15.876 -13.102 1.00 0.00 H new ATOM 0 HG2 MET A 79 1.234 -15.976 -12.396 1.00 0.00 H new ATOM 0 HG3 MET A 79 2.356 -17.308 -12.201 1.00 0.00 H new ATOM 0 HE1 MET A 79 1.574 -16.057 -8.565 1.00 0.00 H new ATOM 0 HE2 MET A 79 0.491 -15.989 -9.975 1.00 0.00 H new ATOM 0 HE3 MET A 79 1.520 -17.417 -9.712 1.00 0.00 H new ATOM 170 N THR A 80 4.995 -13.014 -14.136 1.00 0.00 N ATOM 171 CA THR A 80 5.882 -12.431 -15.138 1.00 0.00 C ATOM 172 C THR A 80 6.616 -13.526 -15.903 1.00 0.00 C ATOM 173 O THR A 80 6.676 -14.674 -15.460 1.00 0.00 O ATOM 174 CB THR A 80 6.898 -11.510 -14.460 1.00 0.00 C ATOM 175 OG1 THR A 80 7.733 -12.278 -13.605 1.00 0.00 O ATOM 176 CG2 THR A 80 6.160 -10.451 -13.640 1.00 0.00 C ATOM 0 H THR A 80 5.353 -12.984 -13.181 1.00 0.00 H new ATOM 0 HA THR A 80 5.280 -11.854 -15.840 1.00 0.00 H new ATOM 0 HB THR A 80 7.508 -11.019 -15.218 1.00 0.00 H new ATOM 0 HG1 THR A 80 8.386 -11.690 -13.171 1.00 0.00 H new ATOM 0 HG21 THR A 80 6.884 -9.795 -13.157 1.00 0.00 H new ATOM 0 HG22 THR A 80 5.519 -9.863 -14.297 1.00 0.00 H new ATOM 0 HG23 THR A 80 5.550 -10.939 -12.880 1.00 0.00 H new ATOM 184 N GLU A 81 7.174 -13.167 -17.055 1.00 0.00 N ATOM 185 CA GLU A 81 7.900 -14.133 -17.872 1.00 0.00 C ATOM 186 C GLU A 81 9.120 -14.661 -17.122 1.00 0.00 C ATOM 187 O GLU A 81 9.421 -15.853 -17.168 1.00 0.00 O ATOM 188 CB GLU A 81 8.342 -13.470 -19.180 1.00 0.00 C ATOM 189 CG GLU A 81 9.397 -12.403 -18.882 1.00 0.00 C ATOM 190 CD GLU A 81 9.634 -11.544 -20.119 1.00 0.00 C ATOM 191 OE1 GLU A 81 9.026 -11.826 -21.139 1.00 0.00 O ATOM 192 OE2 GLU A 81 10.417 -10.613 -20.027 1.00 0.00 O ATOM 0 H GLU A 81 7.138 -12.224 -17.441 1.00 0.00 H new ATOM 0 HA GLU A 81 7.240 -14.971 -18.093 1.00 0.00 H new ATOM 0 HB2 GLU A 81 8.749 -14.219 -19.860 1.00 0.00 H new ATOM 0 HB3 GLU A 81 7.484 -13.019 -19.679 1.00 0.00 H new ATOM 0 HG2 GLU A 81 9.069 -11.777 -18.052 1.00 0.00 H new ATOM 0 HG3 GLU A 81 10.329 -12.877 -18.575 1.00 0.00 H new ATOM 199 N GLU A 82 9.813 -13.764 -16.423 1.00 0.00 N ATOM 200 CA GLU A 82 10.995 -14.153 -15.664 1.00 0.00 C ATOM 201 C GLU A 82 10.617 -15.105 -14.537 1.00 0.00 C ATOM 202 O GLU A 82 11.321 -16.080 -14.270 1.00 0.00 O ATOM 203 CB GLU A 82 11.679 -12.911 -15.086 1.00 0.00 C ATOM 204 CG GLU A 82 12.313 -12.100 -16.218 1.00 0.00 C ATOM 205 CD GLU A 82 12.929 -10.823 -15.662 1.00 0.00 C ATOM 206 OE1 GLU A 82 12.721 -10.548 -14.491 1.00 0.00 O ATOM 207 OE2 GLU A 82 13.598 -10.135 -16.416 1.00 0.00 O ATOM 0 H GLU A 82 9.578 -12.773 -16.368 1.00 0.00 H new ATOM 0 HA GLU A 82 11.685 -14.663 -16.336 1.00 0.00 H new ATOM 0 HB2 GLU A 82 10.953 -12.300 -14.550 1.00 0.00 H new ATOM 0 HB3 GLU A 82 12.442 -13.206 -14.365 1.00 0.00 H new ATOM 0 HG2 GLU A 82 13.077 -12.694 -16.718 1.00 0.00 H new ATOM 0 HG3 GLU A 82 11.560 -11.854 -16.967 1.00 0.00 H new ATOM 214 N GLU A 83 9.499 -14.815 -13.879 1.00 0.00 N ATOM 215 CA GLU A 83 9.030 -15.651 -12.782 1.00 0.00 C ATOM 216 C GLU A 83 8.641 -17.033 -13.294 1.00 0.00 C ATOM 217 O GLU A 83 8.914 -18.045 -12.648 1.00 0.00 O ATOM 218 CB GLU A 83 7.829 -14.997 -12.095 1.00 0.00 C ATOM 219 CG GLU A 83 7.395 -15.848 -10.897 1.00 0.00 C ATOM 220 CD GLU A 83 6.233 -15.177 -10.177 1.00 0.00 C ATOM 221 OE1 GLU A 83 5.806 -14.128 -10.631 1.00 0.00 O ATOM 222 OE2 GLU A 83 5.785 -15.723 -9.181 1.00 0.00 O ATOM 0 H GLU A 83 8.905 -14.012 -14.085 1.00 0.00 H new ATOM 0 HA GLU A 83 9.840 -15.758 -12.060 1.00 0.00 H new ATOM 0 HB2 GLU A 83 8.090 -13.992 -11.764 1.00 0.00 H new ATOM 0 HB3 GLU A 83 7.004 -14.897 -12.800 1.00 0.00 H new ATOM 0 HG2 GLU A 83 7.100 -16.842 -11.234 1.00 0.00 H new ATOM 0 HG3 GLU A 83 8.232 -15.979 -10.211 1.00 0.00 H new ATOM 229 N GLN A 84 7.992 -17.069 -14.452 1.00 0.00 N ATOM 230 CA GLN A 84 7.559 -18.335 -15.026 1.00 0.00 C ATOM 231 C GLN A 84 8.762 -19.228 -15.314 1.00 0.00 C ATOM 232 O GLN A 84 8.722 -20.435 -15.077 1.00 0.00 O ATOM 233 CB GLN A 84 6.785 -18.083 -16.327 1.00 0.00 C ATOM 234 CG GLN A 84 6.178 -19.394 -16.836 1.00 0.00 C ATOM 235 CD GLN A 84 5.149 -19.917 -15.837 1.00 0.00 C ATOM 236 OE1 GLN A 84 4.194 -19.215 -15.505 1.00 0.00 O ATOM 237 NE2 GLN A 84 5.295 -21.108 -15.328 1.00 0.00 N ATOM 0 H GLN A 84 7.757 -16.245 -15.006 1.00 0.00 H new ATOM 0 HA GLN A 84 6.909 -18.836 -14.308 1.00 0.00 H new ATOM 0 HB2 GLN A 84 5.997 -17.350 -16.155 1.00 0.00 H new ATOM 0 HB3 GLN A 84 7.451 -17.664 -17.081 1.00 0.00 H new ATOM 0 HG2 GLN A 84 5.706 -19.233 -17.806 1.00 0.00 H new ATOM 0 HG3 GLN A 84 6.964 -20.135 -16.983 1.00 0.00 H new ATOM 0 HE21 GLN A 84 6.087 -21.687 -15.605 1.00 0.00 H new ATOM 0 HE22 GLN A 84 4.617 -21.461 -14.653 1.00 0.00 H new ATOM 246 N PHE A 85 9.831 -18.626 -15.822 1.00 0.00 N ATOM 247 CA PHE A 85 11.038 -19.378 -16.136 1.00 0.00 C ATOM 248 C PHE A 85 11.614 -20.017 -14.875 1.00 0.00 C ATOM 249 O PHE A 85 11.964 -21.197 -14.867 1.00 0.00 O ATOM 250 CB PHE A 85 12.077 -18.450 -16.762 1.00 0.00 C ATOM 251 CG PHE A 85 13.334 -19.230 -17.059 1.00 0.00 C ATOM 252 CD1 PHE A 85 13.381 -20.085 -18.167 1.00 0.00 C ATOM 253 CD2 PHE A 85 14.456 -19.095 -16.233 1.00 0.00 C ATOM 254 CE1 PHE A 85 14.544 -20.811 -18.444 1.00 0.00 C ATOM 255 CE2 PHE A 85 15.620 -19.819 -16.510 1.00 0.00 C ATOM 256 CZ PHE A 85 15.666 -20.673 -17.619 1.00 0.00 C ATOM 0 H PHE A 85 9.886 -17.628 -16.024 1.00 0.00 H new ATOM 0 HA PHE A 85 10.782 -20.167 -16.843 1.00 0.00 H new ATOM 0 HB2 PHE A 85 11.683 -18.012 -17.679 1.00 0.00 H new ATOM 0 HB3 PHE A 85 12.299 -17.626 -16.084 1.00 0.00 H new ATOM 0 HD1 PHE A 85 12.518 -20.184 -18.809 1.00 0.00 H new ATOM 0 HD2 PHE A 85 14.423 -18.432 -15.381 1.00 0.00 H new ATOM 0 HE1 PHE A 85 14.576 -21.477 -19.293 1.00 0.00 H new ATOM 0 HE2 PHE A 85 16.483 -19.720 -15.869 1.00 0.00 H new ATOM 0 HZ PHE A 85 16.568 -21.225 -17.838 1.00 0.00 H new ATOM 266 N ALA A 86 11.709 -19.227 -13.809 1.00 0.00 N ATOM 267 CA ALA A 86 12.246 -19.727 -12.547 1.00 0.00 C ATOM 268 C ALA A 86 11.387 -20.873 -12.022 1.00 0.00 C ATOM 269 O ALA A 86 11.901 -21.869 -11.515 1.00 0.00 O ATOM 270 CB ALA A 86 12.286 -18.598 -11.516 1.00 0.00 C ATOM 0 H ALA A 86 11.424 -18.248 -13.793 1.00 0.00 H new ATOM 0 HA ALA A 86 13.257 -20.095 -12.719 1.00 0.00 H new ATOM 0 HB1 ALA A 86 12.688 -18.977 -10.576 1.00 0.00 H new ATOM 0 HB2 ALA A 86 12.922 -17.792 -11.883 1.00 0.00 H new ATOM 0 HB3 ALA A 86 11.277 -18.219 -11.353 1.00 0.00 H new ATOM 276 N LEU A 87 10.075 -20.728 -12.152 1.00 0.00 N ATOM 277 CA LEU A 87 9.153 -21.760 -11.692 1.00 0.00 C ATOM 278 C LEU A 87 9.369 -23.055 -12.459 1.00 0.00 C ATOM 279 O LEU A 87 9.308 -24.139 -11.887 1.00 0.00 O ATOM 280 CB LEU A 87 7.709 -21.287 -11.872 1.00 0.00 C ATOM 281 CG LEU A 87 7.397 -20.177 -10.857 1.00 0.00 C ATOM 282 CD1 LEU A 87 6.063 -19.516 -11.221 1.00 0.00 C ATOM 283 CD2 LEU A 87 7.307 -20.763 -9.428 1.00 0.00 C ATOM 0 H LEU A 87 9.627 -19.912 -12.569 1.00 0.00 H new ATOM 0 HA LEU A 87 9.344 -21.946 -10.635 1.00 0.00 H new ATOM 0 HB2 LEU A 87 7.561 -20.917 -12.887 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.023 -22.122 -11.734 1.00 0.00 H new ATOM 0 HG LEU A 87 8.197 -19.438 -10.885 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.839 -18.728 -10.502 1.00 0.00 H new ATOM 0 HD12 LEU A 87 6.130 -19.087 -12.221 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.269 -20.263 -11.200 1.00 0.00 H new ATOM 0 HD21 LEU A 87 7.085 -19.964 -8.720 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.515 -21.511 -9.391 1.00 0.00 H new ATOM 0 HD23 LEU A 87 8.257 -21.228 -9.165 1.00 0.00 H new ATOM 295 N ALA A 88 9.622 -22.936 -13.757 1.00 0.00 N ATOM 296 CA ALA A 88 9.836 -24.114 -14.585 1.00 0.00 C ATOM 297 C ALA A 88 11.038 -24.905 -14.080 1.00 0.00 C ATOM 298 O ALA A 88 10.996 -26.133 -13.996 1.00 0.00 O ATOM 299 CB ALA A 88 10.071 -23.685 -16.035 1.00 0.00 C ATOM 0 H ALA A 88 9.683 -22.047 -14.253 1.00 0.00 H new ATOM 0 HA ALA A 88 8.952 -24.749 -14.532 1.00 0.00 H new ATOM 0 HB1 ALA A 88 10.231 -24.568 -16.654 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.200 -23.140 -16.399 1.00 0.00 H new ATOM 0 HB3 ALA A 88 10.949 -23.042 -16.086 1.00 0.00 H new ATOM 305 N LEU A 89 12.103 -24.195 -13.728 1.00 0.00 N ATOM 306 CA LEU A 89 13.305 -24.843 -13.219 1.00 0.00 C ATOM 307 C LEU A 89 13.015 -25.537 -11.896 1.00 0.00 C ATOM 308 O LEU A 89 13.516 -26.626 -11.628 1.00 0.00 O ATOM 309 CB LEU A 89 14.416 -23.810 -13.032 1.00 0.00 C ATOM 310 CG LEU A 89 14.897 -23.320 -14.403 1.00 0.00 C ATOM 311 CD1 LEU A 89 15.829 -22.123 -14.215 1.00 0.00 C ATOM 312 CD2 LEU A 89 15.651 -24.447 -15.150 1.00 0.00 C ATOM 0 H LEU A 89 12.159 -23.178 -13.785 1.00 0.00 H new ATOM 0 HA LEU A 89 13.630 -25.591 -13.942 1.00 0.00 H new ATOM 0 HB2 LEU A 89 14.050 -22.970 -12.442 1.00 0.00 H new ATOM 0 HB3 LEU A 89 15.246 -24.250 -12.480 1.00 0.00 H new ATOM 0 HG LEU A 89 14.030 -23.027 -14.995 1.00 0.00 H new ATOM 0 HD11 LEU A 89 16.172 -21.773 -15.188 1.00 0.00 H new ATOM 0 HD12 LEU A 89 15.293 -21.320 -13.709 1.00 0.00 H new ATOM 0 HD13 LEU A 89 16.688 -22.421 -13.613 1.00 0.00 H new ATOM 0 HD21 LEU A 89 15.985 -24.080 -16.121 1.00 0.00 H new ATOM 0 HD22 LEU A 89 16.515 -24.758 -14.563 1.00 0.00 H new ATOM 0 HD23 LEU A 89 14.985 -25.298 -15.293 1.00 0.00 H new ATOM 324 N LYS A 90 12.203 -24.892 -11.070 1.00 0.00 N ATOM 325 CA LYS A 90 11.854 -25.450 -9.772 1.00 0.00 C ATOM 326 C LYS A 90 11.064 -26.741 -9.938 1.00 0.00 C ATOM 327 O LYS A 90 11.258 -27.698 -9.191 1.00 0.00 O ATOM 328 CB LYS A 90 11.018 -24.439 -8.984 1.00 0.00 C ATOM 329 CG LYS A 90 11.887 -23.232 -8.590 1.00 0.00 C ATOM 330 CD LYS A 90 12.727 -23.560 -7.347 1.00 0.00 C ATOM 331 CE LYS A 90 13.358 -22.279 -6.811 1.00 0.00 C ATOM 332 NZ LYS A 90 14.331 -21.750 -7.807 1.00 0.00 N ATOM 0 H LYS A 90 11.776 -23.988 -11.274 1.00 0.00 H new ATOM 0 HA LYS A 90 12.774 -25.669 -9.230 1.00 0.00 H new ATOM 0 HB2 LYS A 90 10.171 -24.107 -9.585 1.00 0.00 H new ATOM 0 HB3 LYS A 90 10.609 -24.911 -8.090 1.00 0.00 H new ATOM 0 HG2 LYS A 90 12.542 -22.962 -9.418 1.00 0.00 H new ATOM 0 HG3 LYS A 90 11.252 -22.369 -8.390 1.00 0.00 H new ATOM 0 HD2 LYS A 90 12.101 -24.018 -6.582 1.00 0.00 H new ATOM 0 HD3 LYS A 90 13.503 -24.283 -7.599 1.00 0.00 H new ATOM 0 HE2 LYS A 90 12.585 -21.536 -6.612 1.00 0.00 H new ATOM 0 HE3 LYS A 90 13.861 -22.477 -5.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 14.905 -21.002 -7.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 14.952 -22.520 -8.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 13.816 -21.358 -8.621 1.00 0.00 H new ATOM 346 N MET A 91 10.177 -26.763 -10.923 1.00 0.00 N ATOM 347 CA MET A 91 9.365 -27.945 -11.173 1.00 0.00 C ATOM 348 C MET A 91 10.247 -29.129 -11.551 1.00 0.00 C ATOM 349 O MET A 91 10.019 -30.253 -11.102 1.00 0.00 O ATOM 350 CB MET A 91 8.376 -27.660 -12.307 1.00 0.00 C ATOM 351 CG MET A 91 7.305 -26.679 -11.825 1.00 0.00 C ATOM 352 SD MET A 91 6.233 -27.499 -10.618 1.00 0.00 S ATOM 353 CE MET A 91 5.313 -28.550 -11.772 1.00 0.00 C ATOM 0 H MET A 91 10.002 -25.983 -11.557 1.00 0.00 H new ATOM 0 HA MET A 91 8.818 -28.191 -10.263 1.00 0.00 H new ATOM 0 HB2 MET A 91 8.903 -27.244 -13.166 1.00 0.00 H new ATOM 0 HB3 MET A 91 7.910 -28.588 -12.638 1.00 0.00 H new ATOM 0 HG2 MET A 91 7.774 -25.804 -11.375 1.00 0.00 H new ATOM 0 HG3 MET A 91 6.715 -26.325 -12.670 1.00 0.00 H new ATOM 0 HE1 MET A 91 4.349 -28.812 -11.336 1.00 0.00 H new ATOM 0 HE2 MET A 91 5.154 -28.012 -12.707 1.00 0.00 H new ATOM 0 HE3 MET A 91 5.881 -29.459 -11.968 1.00 0.00 H new ATOM 363 N SER A 92 11.260 -28.873 -12.371 1.00 0.00 N ATOM 364 CA SER A 92 12.167 -29.936 -12.791 1.00 0.00 C ATOM 365 C SER A 92 12.916 -30.505 -11.586 1.00 0.00 C ATOM 366 O SER A 92 13.126 -31.719 -11.475 1.00 0.00 O ATOM 367 CB SER A 92 13.169 -29.384 -13.805 1.00 0.00 C ATOM 368 OG SER A 92 13.940 -28.360 -13.191 1.00 0.00 O ATOM 0 H SER A 92 11.473 -27.952 -12.754 1.00 0.00 H new ATOM 0 HA SER A 92 11.584 -30.734 -13.250 1.00 0.00 H new ATOM 0 HB2 SER A 92 13.820 -30.182 -14.162 1.00 0.00 H new ATOM 0 HB3 SER A 92 12.644 -28.989 -14.675 1.00 0.00 H new ATOM 0 HG SER A 92 13.374 -27.848 -12.576 1.00 0.00 H new ATOM 374 N GLU A 93 13.313 -29.622 -10.676 1.00 0.00 N ATOM 375 CA GLU A 93 14.032 -30.046 -9.480 1.00 0.00 C ATOM 376 C GLU A 93 13.141 -30.917 -8.605 1.00 0.00 C ATOM 377 O GLU A 93 13.593 -31.909 -8.034 1.00 0.00 O ATOM 378 CB GLU A 93 14.500 -28.825 -8.687 1.00 0.00 C ATOM 379 CG GLU A 93 15.589 -28.090 -9.471 1.00 0.00 C ATOM 380 CD GLU A 93 16.861 -28.931 -9.506 1.00 0.00 C ATOM 381 OE1 GLU A 93 16.950 -29.868 -8.729 1.00 0.00 O ATOM 382 OE2 GLU A 93 17.728 -28.627 -10.308 1.00 0.00 O ATOM 0 H GLU A 93 13.151 -28.617 -10.742 1.00 0.00 H new ATOM 0 HA GLU A 93 14.901 -30.628 -9.787 1.00 0.00 H new ATOM 0 HB2 GLU A 93 13.659 -28.157 -8.499 1.00 0.00 H new ATOM 0 HB3 GLU A 93 14.884 -29.135 -7.715 1.00 0.00 H new ATOM 0 HG2 GLU A 93 15.246 -27.891 -10.486 1.00 0.00 H new ATOM 0 HG3 GLU A 93 15.794 -27.125 -9.008 1.00 0.00 H new ATOM 389 N GLN A 94 11.871 -30.545 -8.509 1.00 0.00 N ATOM 390 CA GLN A 94 10.925 -31.306 -7.703 1.00 0.00 C ATOM 391 C GLN A 94 10.768 -32.719 -8.254 1.00 0.00 C ATOM 392 O GLN A 94 10.678 -33.680 -7.494 1.00 0.00 O ATOM 393 CB GLN A 94 9.563 -30.609 -7.685 1.00 0.00 C ATOM 394 CG GLN A 94 9.655 -29.329 -6.851 1.00 0.00 C ATOM 395 CD GLN A 94 8.343 -28.558 -6.936 1.00 0.00 C ATOM 396 OE1 GLN A 94 7.688 -28.553 -7.979 1.00 0.00 O ATOM 397 NE2 GLN A 94 7.912 -27.908 -5.890 1.00 0.00 N ATOM 0 H GLN A 94 11.475 -29.729 -8.975 1.00 0.00 H new ATOM 0 HA GLN A 94 11.313 -31.363 -6.686 1.00 0.00 H new ATOM 0 HB2 GLN A 94 9.251 -30.371 -8.702 1.00 0.00 H new ATOM 0 HB3 GLN A 94 8.808 -31.274 -7.267 1.00 0.00 H new ATOM 0 HG2 GLN A 94 9.875 -29.576 -5.812 1.00 0.00 H new ATOM 0 HG3 GLN A 94 10.475 -28.708 -7.211 1.00 0.00 H new ATOM 0 HE21 GLN A 94 8.455 -27.913 -5.027 1.00 0.00 H new ATOM 0 HE22 GLN A 94 7.032 -27.395 -5.935 1.00 0.00 H new ATOM 406 N GLU A 95 10.744 -32.838 -9.574 1.00 0.00 N ATOM 407 CA GLU A 95 10.592 -34.146 -10.203 1.00 0.00 C ATOM 408 C GLU A 95 11.750 -35.053 -9.811 1.00 0.00 C ATOM 409 O GLU A 95 11.557 -36.235 -9.525 1.00 0.00 O ATOM 410 CB GLU A 95 10.563 -33.980 -11.726 1.00 0.00 C ATOM 411 CG GLU A 95 9.249 -33.316 -12.142 1.00 0.00 C ATOM 412 CD GLU A 95 9.298 -32.952 -13.623 1.00 0.00 C ATOM 413 OE1 GLU A 95 10.383 -32.942 -14.176 1.00 0.00 O ATOM 414 OE2 GLU A 95 8.244 -32.689 -14.181 1.00 0.00 O ATOM 0 H GLU A 95 10.827 -32.057 -10.225 1.00 0.00 H new ATOM 0 HA GLU A 95 9.659 -34.597 -9.866 1.00 0.00 H new ATOM 0 HB2 GLU A 95 11.408 -33.374 -12.053 1.00 0.00 H new ATOM 0 HB3 GLU A 95 10.661 -34.952 -12.210 1.00 0.00 H new ATOM 0 HG2 GLU A 95 8.414 -33.991 -11.952 1.00 0.00 H new ATOM 0 HG3 GLU A 95 9.078 -32.421 -11.544 1.00 0.00 H new ATOM 421 N ALA A 96 12.954 -34.495 -9.791 1.00 0.00 N ATOM 422 CA ALA A 96 14.132 -35.272 -9.409 1.00 0.00 C ATOM 423 C ALA A 96 14.094 -35.615 -7.918 1.00 0.00 C ATOM 424 O ALA A 96 14.470 -36.711 -7.505 1.00 0.00 O ATOM 425 CB ALA A 96 15.400 -34.482 -9.720 1.00 0.00 C ATOM 0 H ALA A 96 13.142 -33.522 -10.031 1.00 0.00 H new ATOM 0 HA ALA A 96 14.132 -36.200 -9.981 1.00 0.00 H new ATOM 0 HB1 ALA A 96 16.273 -35.068 -9.433 1.00 0.00 H new ATOM 0 HB2 ALA A 96 15.442 -34.268 -10.788 1.00 0.00 H new ATOM 0 HB3 ALA A 96 15.391 -33.546 -9.162 1.00 0.00 H new ATOM 431 N ARG A 97 13.636 -34.660 -7.113 1.00 0.00 N ATOM 432 CA ARG A 97 13.555 -34.860 -5.667 1.00 0.00 C ATOM 433 C ARG A 97 12.431 -35.829 -5.317 1.00 0.00 C ATOM 434 O ARG A 97 12.386 -36.368 -4.211 1.00 0.00 O ATOM 435 CB ARG A 97 13.324 -33.521 -4.968 1.00 0.00 C ATOM 436 CG ARG A 97 14.582 -32.659 -5.095 1.00 0.00 C ATOM 437 CD ARG A 97 14.327 -31.294 -4.454 1.00 0.00 C ATOM 438 NE ARG A 97 15.503 -30.441 -4.597 1.00 0.00 N ATOM 439 CZ ARG A 97 16.517 -30.514 -3.742 1.00 0.00 C ATOM 440 NH1 ARG A 97 16.472 -31.359 -2.749 1.00 0.00 N ATOM 441 NH2 ARG A 97 17.557 -29.739 -3.894 1.00 0.00 N ATOM 0 H ARG A 97 13.317 -33.746 -7.433 1.00 0.00 H new ATOM 0 HA ARG A 97 14.498 -35.287 -5.325 1.00 0.00 H new ATOM 0 HB2 ARG A 97 12.472 -33.008 -5.413 1.00 0.00 H new ATOM 0 HB3 ARG A 97 13.085 -33.683 -3.917 1.00 0.00 H new ATOM 0 HG2 ARG A 97 15.424 -33.151 -4.608 1.00 0.00 H new ATOM 0 HG3 ARG A 97 14.848 -32.536 -6.145 1.00 0.00 H new ATOM 0 HD2 ARG A 97 13.465 -30.819 -4.923 1.00 0.00 H new ATOM 0 HD3 ARG A 97 14.086 -31.419 -3.398 1.00 0.00 H new ATOM 0 HE ARG A 97 15.547 -29.776 -5.369 1.00 0.00 H new ATOM 0 HH11 ARG A 97 15.659 -31.963 -2.630 1.00 0.00 H new ATOM 0 HH12 ARG A 97 17.250 -31.416 -2.092 1.00 0.00 H new ATOM 0 HH21 ARG A 97 17.591 -29.077 -4.669 1.00 0.00 H new ATOM 0 HH22 ARG A 97 18.335 -29.795 -3.237 1.00 0.00 H new ATOM 455 N GLU A 98 11.524 -36.043 -6.261 1.00 0.00 N ATOM 456 CA GLU A 98 10.401 -36.949 -6.038 1.00 0.00 C ATOM 457 C GLU A 98 10.859 -38.399 -6.084 1.00 0.00 C ATOM 458 O GLU A 98 10.080 -39.315 -5.825 1.00 0.00 O ATOM 459 CB GLU A 98 9.306 -36.703 -7.096 1.00 0.00 C ATOM 460 CG GLU A 98 8.387 -35.559 -6.656 1.00 0.00 C ATOM 461 CD GLU A 98 7.512 -36.026 -5.503 1.00 0.00 C ATOM 462 OE1 GLU A 98 6.869 -37.054 -5.651 1.00 0.00 O ATOM 463 OE2 GLU A 98 7.495 -35.353 -4.487 1.00 0.00 O ATOM 0 H GLU A 98 11.541 -35.606 -7.183 1.00 0.00 H new ATOM 0 HA GLU A 98 9.990 -36.752 -5.048 1.00 0.00 H new ATOM 0 HB2 GLU A 98 9.765 -36.461 -8.055 1.00 0.00 H new ATOM 0 HB3 GLU A 98 8.722 -37.612 -7.242 1.00 0.00 H new ATOM 0 HG2 GLU A 98 8.981 -34.698 -6.350 1.00 0.00 H new ATOM 0 HG3 GLU A 98 7.765 -35.236 -7.491 1.00 0.00 H new ATOM 470 N VAL A 99 12.123 -38.593 -6.399 1.00 0.00 N ATOM 471 CA VAL A 99 12.676 -39.941 -6.463 1.00 0.00 C ATOM 472 C VAL A 99 12.822 -40.515 -5.059 1.00 0.00 C ATOM 473 O VAL A 99 13.397 -39.874 -4.178 1.00 0.00 O ATOM 474 CB VAL A 99 14.042 -39.916 -7.157 1.00 0.00 C ATOM 475 CG1 VAL A 99 14.679 -41.306 -7.089 1.00 0.00 C ATOM 476 CG2 VAL A 99 13.855 -39.513 -8.621 1.00 0.00 C ATOM 0 H VAL A 99 12.785 -37.847 -6.613 1.00 0.00 H new ATOM 0 HA VAL A 99 11.996 -40.572 -7.036 1.00 0.00 H new ATOM 0 HB VAL A 99 14.692 -39.197 -6.657 1.00 0.00 H new ATOM 0 HG11 VAL A 99 15.650 -41.286 -7.583 1.00 0.00 H new ATOM 0 HG12 VAL A 99 14.808 -41.596 -6.046 1.00 0.00 H new ATOM 0 HG13 VAL A 99 14.033 -42.027 -7.589 1.00 0.00 H new ATOM 0 HG21 VAL A 99 14.824 -39.494 -9.120 1.00 0.00 H new ATOM 0 HG22 VAL A 99 13.206 -40.235 -9.117 1.00 0.00 H new ATOM 0 HG23 VAL A 99 13.401 -38.523 -8.671 1.00 0.00 H new ATOM 603 N GLU A 108 19.116 -52.886 -2.740 1.00 0.00 N ATOM 604 CA GLU A 108 20.432 -53.246 -2.226 1.00 0.00 C ATOM 605 C GLU A 108 20.305 -54.268 -1.099 1.00 0.00 C ATOM 606 O GLU A 108 21.067 -55.231 -1.029 1.00 0.00 O ATOM 607 CB GLU A 108 21.146 -51.996 -1.707 1.00 0.00 C ATOM 608 CG GLU A 108 21.526 -51.099 -2.886 1.00 0.00 C ATOM 609 CD GLU A 108 22.141 -49.801 -2.375 1.00 0.00 C ATOM 610 OE1 GLU A 108 22.115 -49.587 -1.175 1.00 0.00 O ATOM 611 OE2 GLU A 108 22.626 -49.037 -3.194 1.00 0.00 O ATOM 0 HA GLU A 108 21.013 -53.687 -3.036 1.00 0.00 H new ATOM 0 HB2 GLU A 108 20.498 -51.454 -1.018 1.00 0.00 H new ATOM 0 HB3 GLU A 108 22.039 -52.279 -1.149 1.00 0.00 H new ATOM 0 HG2 GLU A 108 22.234 -51.616 -3.534 1.00 0.00 H new ATOM 0 HG3 GLU A 108 20.643 -50.881 -3.487 1.00 0.00 H new ATOM 618 N LEU A 109 19.330 -54.051 -0.221 1.00 0.00 N ATOM 619 CA LEU A 109 19.104 -54.958 0.896 1.00 0.00 C ATOM 620 C LEU A 109 18.664 -56.322 0.392 1.00 0.00 C ATOM 621 O LEU A 109 19.066 -57.354 0.931 1.00 0.00 O ATOM 622 CB LEU A 109 18.038 -54.382 1.830 1.00 0.00 C ATOM 623 CG LEU A 109 18.598 -53.141 2.542 1.00 0.00 C ATOM 624 CD1 LEU A 109 17.463 -52.426 3.283 1.00 0.00 C ATOM 625 CD2 LEU A 109 19.703 -53.546 3.548 1.00 0.00 C ATOM 0 H LEU A 109 18.688 -53.259 -0.262 1.00 0.00 H new ATOM 0 HA LEU A 109 20.039 -55.072 1.445 1.00 0.00 H new ATOM 0 HB2 LEU A 109 17.146 -54.117 1.262 1.00 0.00 H new ATOM 0 HB3 LEU A 109 17.738 -55.131 2.563 1.00 0.00 H new ATOM 0 HG LEU A 109 19.032 -52.472 1.799 1.00 0.00 H new ATOM 0 HD11 LEU A 109 17.857 -51.545 3.789 1.00 0.00 H new ATOM 0 HD12 LEU A 109 16.697 -52.122 2.569 1.00 0.00 H new ATOM 0 HD13 LEU A 109 17.026 -53.102 4.018 1.00 0.00 H new ATOM 0 HD21 LEU A 109 20.089 -52.655 4.043 1.00 0.00 H new ATOM 0 HD22 LEU A 109 19.286 -54.224 4.293 1.00 0.00 H new ATOM 0 HD23 LEU A 109 20.513 -54.045 3.017 1.00 0.00 H new ATOM 637 N LEU A 110 17.827 -56.320 -0.635 1.00 0.00 N ATOM 638 CA LEU A 110 17.332 -57.567 -1.189 1.00 0.00 C ATOM 639 C LEU A 110 18.481 -58.402 -1.742 1.00 0.00 C ATOM 640 O LEU A 110 18.540 -59.614 -1.531 1.00 0.00 O ATOM 641 CB LEU A 110 16.321 -57.276 -2.309 1.00 0.00 C ATOM 642 CG LEU A 110 15.813 -58.592 -2.920 1.00 0.00 C ATOM 643 CD1 LEU A 110 15.126 -59.440 -1.837 1.00 0.00 C ATOM 644 CD2 LEU A 110 14.816 -58.276 -4.036 1.00 0.00 C ATOM 0 H LEU A 110 17.481 -55.478 -1.096 1.00 0.00 H new ATOM 0 HA LEU A 110 16.842 -58.128 -0.393 1.00 0.00 H new ATOM 0 HB2 LEU A 110 15.483 -56.703 -1.912 1.00 0.00 H new ATOM 0 HB3 LEU A 110 16.788 -56.665 -3.081 1.00 0.00 H new ATOM 0 HG LEU A 110 16.655 -59.152 -3.328 1.00 0.00 H new ATOM 0 HD11 LEU A 110 14.768 -60.371 -2.276 1.00 0.00 H new ATOM 0 HD12 LEU A 110 15.839 -59.664 -1.043 1.00 0.00 H new ATOM 0 HD13 LEU A 110 14.283 -58.887 -1.422 1.00 0.00 H new ATOM 0 HD21 LEU A 110 14.452 -59.206 -4.473 1.00 0.00 H new ATOM 0 HD22 LEU A 110 13.976 -57.715 -3.626 1.00 0.00 H new ATOM 0 HD23 LEU A 110 15.308 -57.681 -4.806 1.00 0.00 H new ATOM 656 N ARG A 111 19.389 -57.746 -2.454 1.00 0.00 N ATOM 657 CA ARG A 111 20.530 -58.439 -3.036 1.00 0.00 C ATOM 658 C ARG A 111 21.414 -59.026 -1.945 1.00 0.00 C ATOM 659 O ARG A 111 21.911 -60.145 -2.064 1.00 0.00 O ATOM 660 CB ARG A 111 21.342 -57.472 -3.898 1.00 0.00 C ATOM 661 CG ARG A 111 22.516 -58.217 -4.537 1.00 0.00 C ATOM 662 CD ARG A 111 23.217 -57.301 -5.539 1.00 0.00 C ATOM 663 NE ARG A 111 23.791 -56.148 -4.855 1.00 0.00 N ATOM 664 CZ ARG A 111 24.319 -55.137 -5.538 1.00 0.00 C ATOM 665 NH1 ARG A 111 24.327 -55.164 -6.842 1.00 0.00 N ATOM 666 NH2 ARG A 111 24.829 -54.117 -4.903 1.00 0.00 N ATOM 0 H ARG A 111 19.358 -56.744 -2.641 1.00 0.00 H new ATOM 0 HA ARG A 111 20.160 -59.253 -3.659 1.00 0.00 H new ATOM 0 HB2 ARG A 111 20.708 -57.039 -4.672 1.00 0.00 H new ATOM 0 HB3 ARG A 111 21.710 -56.647 -3.289 1.00 0.00 H new ATOM 0 HG2 ARG A 111 23.219 -58.538 -3.768 1.00 0.00 H new ATOM 0 HG3 ARG A 111 22.160 -59.117 -5.038 1.00 0.00 H new ATOM 0 HD2 ARG A 111 24.001 -57.852 -6.059 1.00 0.00 H new ATOM 0 HD3 ARG A 111 22.507 -56.967 -6.296 1.00 0.00 H new ATOM 0 HE ARG A 111 23.787 -56.117 -3.835 1.00 0.00 H new ATOM 0 HH11 ARG A 111 23.928 -55.961 -7.338 1.00 0.00 H new ATOM 0 HH12 ARG A 111 24.732 -54.388 -7.366 1.00 0.00 H new ATOM 0 HH21 ARG A 111 24.822 -54.096 -3.883 1.00 0.00 H new ATOM 0 HH22 ARG A 111 25.234 -53.341 -5.427 1.00 0.00 H new ATOM 680 N LYS A 112 21.606 -58.259 -0.879 1.00 0.00 N ATOM 681 CA LYS A 112 22.433 -58.707 0.232 1.00 0.00 C ATOM 682 C LYS A 112 21.816 -59.935 0.898 1.00 0.00 C ATOM 683 O LYS A 112 22.521 -60.885 1.240 1.00 0.00 O ATOM 684 CB LYS A 112 22.568 -57.587 1.261 1.00 0.00 C ATOM 685 CG LYS A 112 23.553 -58.008 2.366 1.00 0.00 C ATOM 686 CD LYS A 112 23.519 -56.995 3.515 1.00 0.00 C ATOM 687 CE LYS A 112 24.226 -55.704 3.097 1.00 0.00 C ATOM 688 NZ LYS A 112 24.332 -54.800 4.273 1.00 0.00 N ATOM 0 H LYS A 112 21.203 -57.330 -0.761 1.00 0.00 H new ATOM 0 HA LYS A 112 23.417 -58.971 -0.154 1.00 0.00 H new ATOM 0 HB2 LYS A 112 22.919 -56.676 0.776 1.00 0.00 H new ATOM 0 HB3 LYS A 112 21.594 -57.361 1.696 1.00 0.00 H new ATOM 0 HG2 LYS A 112 23.293 -58.999 2.737 1.00 0.00 H new ATOM 0 HG3 LYS A 112 24.562 -58.074 1.959 1.00 0.00 H new ATOM 0 HD2 LYS A 112 22.487 -56.781 3.791 1.00 0.00 H new ATOM 0 HD3 LYS A 112 24.004 -57.416 4.396 1.00 0.00 H new ATOM 0 HE2 LYS A 112 25.218 -55.929 2.706 1.00 0.00 H new ATOM 0 HE3 LYS A 112 23.671 -55.215 2.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 24.812 -53.921 3.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 23.380 -54.577 4.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 24.878 -55.269 5.023 1.00 0.00 H new ATOM 702 N ALA A 113 20.503 -59.901 1.092 1.00 0.00 N ATOM 703 CA ALA A 113 19.810 -61.011 1.733 1.00 0.00 C ATOM 704 C ALA A 113 19.982 -62.290 0.922 1.00 0.00 C ATOM 705 O ALA A 113 20.196 -63.367 1.481 1.00 0.00 O ATOM 706 CB ALA A 113 18.322 -60.687 1.865 1.00 0.00 C ATOM 0 H ALA A 113 19.902 -59.124 0.817 1.00 0.00 H new ATOM 0 HA ALA A 113 20.240 -61.161 2.723 1.00 0.00 H new ATOM 0 HB1 ALA A 113 17.809 -61.521 2.345 1.00 0.00 H new ATOM 0 HB2 ALA A 113 18.198 -59.788 2.469 1.00 0.00 H new ATOM 0 HB3 ALA A 113 17.897 -60.521 0.875 1.00 0.00 H new ATOM 712 N ILE A 114 19.894 -62.165 -0.395 1.00 0.00 N ATOM 713 CA ILE A 114 20.045 -63.319 -1.271 1.00 0.00 C ATOM 714 C ILE A 114 21.449 -63.909 -1.139 1.00 0.00 C ATOM 715 O ILE A 114 21.616 -65.122 -1.036 1.00 0.00 O ATOM 716 CB ILE A 114 19.794 -62.908 -2.724 1.00 0.00 C ATOM 717 CG1 ILE A 114 18.321 -62.535 -2.901 1.00 0.00 C ATOM 718 CG2 ILE A 114 20.136 -64.076 -3.657 1.00 0.00 C ATOM 719 CD1 ILE A 114 18.121 -61.869 -4.264 1.00 0.00 C ATOM 0 H ILE A 114 19.720 -61.283 -0.878 1.00 0.00 H new ATOM 0 HA ILE A 114 19.316 -64.075 -0.978 1.00 0.00 H new ATOM 0 HB ILE A 114 20.422 -62.051 -2.969 1.00 0.00 H new ATOM 0 HG12 ILE A 114 17.698 -63.426 -2.825 1.00 0.00 H new ATOM 0 HG13 ILE A 114 18.008 -61.859 -2.105 1.00 0.00 H new ATOM 0 HG21 ILE A 114 19.956 -63.781 -4.691 1.00 0.00 H new ATOM 0 HG22 ILE A 114 21.185 -64.345 -3.534 1.00 0.00 H new ATOM 0 HG23 ILE A 114 19.510 -64.934 -3.411 1.00 0.00 H new ATOM 0 HD11 ILE A 114 17.071 -61.604 -4.389 1.00 0.00 H new ATOM 0 HD12 ILE A 114 18.732 -60.968 -4.322 1.00 0.00 H new ATOM 0 HD13 ILE A 114 18.417 -62.560 -5.053 1.00 0.00 H new ATOM 731 N ALA A 115 22.454 -63.042 -1.152 1.00 0.00 N ATOM 732 CA ALA A 115 23.835 -63.497 -1.044 1.00 0.00 C ATOM 733 C ALA A 115 24.070 -64.205 0.283 1.00 0.00 C ATOM 734 O ALA A 115 24.744 -65.235 0.338 1.00 0.00 O ATOM 735 CB ALA A 115 24.781 -62.302 -1.156 1.00 0.00 C ATOM 0 H ALA A 115 22.342 -62.032 -1.235 1.00 0.00 H new ATOM 0 HA ALA A 115 24.029 -64.200 -1.854 1.00 0.00 H new ATOM 0 HB1 ALA A 115 25.812 -62.645 -1.075 1.00 0.00 H new ATOM 0 HB2 ALA A 115 24.636 -61.812 -2.119 1.00 0.00 H new ATOM 0 HB3 ALA A 115 24.570 -61.595 -0.354 1.00 0.00 H new ATOM 741 N GLU A 116 23.510 -63.653 1.350 1.00 0.00 N ATOM 742 CA GLU A 116 23.659 -64.244 2.671 1.00 0.00 C ATOM 743 C GLU A 116 23.012 -65.622 2.727 1.00 0.00 C ATOM 744 O GLU A 116 23.533 -66.536 3.359 1.00 0.00 O ATOM 745 CB GLU A 116 23.030 -63.340 3.730 1.00 0.00 C ATOM 746 CG GLU A 116 23.875 -62.077 3.895 1.00 0.00 C ATOM 747 CD GLU A 116 23.186 -61.105 4.847 1.00 0.00 C ATOM 748 OE1 GLU A 116 22.010 -61.303 5.114 1.00 0.00 O ATOM 749 OE2 GLU A 116 23.843 -60.184 5.301 1.00 0.00 O ATOM 0 H GLU A 116 22.951 -62.800 1.327 1.00 0.00 H new ATOM 0 HA GLU A 116 24.725 -64.350 2.873 1.00 0.00 H new ATOM 0 HB2 GLU A 116 22.014 -63.074 3.438 1.00 0.00 H new ATOM 0 HB3 GLU A 116 22.961 -63.870 4.680 1.00 0.00 H new ATOM 0 HG2 GLU A 116 24.861 -62.338 4.280 1.00 0.00 H new ATOM 0 HG3 GLU A 116 24.027 -61.602 2.925 1.00 0.00 H new ATOM 756 N SER A 117 21.868 -65.763 2.069 1.00 0.00 N ATOM 757 CA SER A 117 21.156 -67.036 2.072 1.00 0.00 C ATOM 758 C SER A 117 22.001 -68.128 1.427 1.00 0.00 C ATOM 759 O SER A 117 22.032 -69.262 1.905 1.00 0.00 O ATOM 760 CB SER A 117 19.844 -66.888 1.301 1.00 0.00 C ATOM 761 OG SER A 117 19.007 -65.955 1.973 1.00 0.00 O ATOM 0 H SER A 117 21.417 -65.022 1.532 1.00 0.00 H new ATOM 0 HA SER A 117 20.951 -67.317 3.105 1.00 0.00 H new ATOM 0 HB2 SER A 117 20.043 -66.549 0.284 1.00 0.00 H new ATOM 0 HB3 SER A 117 19.343 -67.853 1.224 1.00 0.00 H new ATOM 0 HG SER A 117 19.350 -65.048 1.833 1.00 0.00 H new ATOM 767 N LEU A 118 22.690 -67.783 0.348 1.00 0.00 N ATOM 768 CA LEU A 118 23.540 -68.748 -0.344 1.00 0.00 C ATOM 769 C LEU A 118 24.847 -68.952 0.416 1.00 0.00 C ATOM 770 O LEU A 118 25.411 -70.045 0.415 1.00 0.00 O ATOM 771 CB LEU A 118 23.832 -68.255 -1.773 1.00 0.00 C ATOM 772 CG LEU A 118 22.745 -68.751 -2.728 1.00 0.00 C ATOM 773 CD1 LEU A 118 21.381 -68.244 -2.262 1.00 0.00 C ATOM 774 CD2 LEU A 118 23.032 -68.232 -4.137 1.00 0.00 C ATOM 0 H LEU A 118 22.679 -66.851 -0.066 1.00 0.00 H new ATOM 0 HA LEU A 118 23.017 -69.703 -0.393 1.00 0.00 H new ATOM 0 HB2 LEU A 118 23.873 -67.166 -1.790 1.00 0.00 H new ATOM 0 HB3 LEU A 118 24.807 -68.616 -2.099 1.00 0.00 H new ATOM 0 HG LEU A 118 22.739 -69.841 -2.736 1.00 0.00 H new ATOM 0 HD11 LEU A 118 20.608 -68.599 -2.944 1.00 0.00 H new ATOM 0 HD12 LEU A 118 21.178 -68.617 -1.258 1.00 0.00 H new ATOM 0 HD13 LEU A 118 21.382 -67.154 -2.251 1.00 0.00 H new ATOM 0 HD21 LEU A 118 22.258 -68.584 -4.819 1.00 0.00 H new ATOM 0 HD22 LEU A 118 23.039 -67.142 -4.129 1.00 0.00 H new ATOM 0 HD23 LEU A 118 24.003 -68.599 -4.469 1.00 0.00 H new