USER MOD reduce.3.24.130724 H: found=0, std=0, add=300, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 302 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 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 74 THR OG1 : rot 180:sc= 0 USER MOD Single : B 81 MET CE :methyl 160:sc= -0.167 (180deg=-0.81) USER MOD Single : B 87 THR OG1 : rot -47:sc= -1.1 USER MOD Single : B 92 SER OG : rot 180:sc= 0 USER MOD Single : B 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 196 N ILE A 73 12.243 -0.862 -18.262 1.00 0.00 N ATOM 197 CA ILE A 73 11.725 0.494 -18.391 1.00 0.00 C ATOM 198 C ILE A 73 11.448 0.840 -19.850 1.00 0.00 C ATOM 199 O ILE A 73 10.364 1.316 -20.193 1.00 0.00 O ATOM 200 CB ILE A 73 12.704 1.529 -17.806 1.00 0.00 C ATOM 201 CG1 ILE A 73 14.138 1.000 -17.872 1.00 0.00 C ATOM 202 CG2 ILE A 73 12.323 1.868 -16.373 1.00 0.00 C ATOM 203 CD1 ILE A 73 15.186 2.064 -17.631 1.00 0.00 C ATOM 0 HA ILE A 73 10.792 0.530 -17.828 1.00 0.00 H new ATOM 0 HB ILE A 73 12.645 2.440 -18.401 1.00 0.00 H new ATOM 0 HG12 ILE A 73 14.259 0.208 -17.133 1.00 0.00 H new ATOM 0 HG13 ILE A 73 14.306 0.551 -18.851 1.00 0.00 H new ATOM 0 HG21 ILE A 73 13.024 2.601 -15.974 1.00 0.00 H new ATOM 0 HG22 ILE A 73 11.315 2.282 -16.353 1.00 0.00 H new ATOM 0 HG23 ILE A 73 12.356 0.964 -15.764 1.00 0.00 H new ATOM 0 HD11 ILE A 73 16.179 1.618 -17.693 1.00 0.00 H new ATOM 0 HD12 ILE A 73 15.092 2.845 -18.386 1.00 0.00 H new ATOM 0 HD13 ILE A 73 15.044 2.497 -16.641 1.00 0.00 H new ATOM 215 N THR A 74 12.434 0.597 -20.708 1.00 0.00 N ATOM 216 CA THR A 74 12.297 0.883 -22.130 1.00 0.00 C ATOM 217 C THR A 74 11.009 0.288 -22.689 1.00 0.00 C ATOM 218 O THR A 74 10.232 0.977 -23.351 1.00 0.00 O ATOM 219 CB THR A 74 13.492 0.333 -22.931 1.00 0.00 C ATOM 220 OG1 THR A 74 14.719 0.825 -22.380 1.00 0.00 O ATOM 221 CG2 THR A 74 13.392 0.732 -24.396 1.00 0.00 C ATOM 0 H THR A 74 13.336 0.203 -20.442 1.00 0.00 H new ATOM 0 HA THR A 74 12.268 1.968 -22.233 1.00 0.00 H new ATOM 0 HB THR A 74 13.475 -0.755 -22.865 1.00 0.00 H new ATOM 0 HG1 THR A 74 15.474 0.469 -22.894 1.00 0.00 H new ATOM 0 HG21 THR A 74 14.247 0.332 -24.941 1.00 0.00 H new ATOM 0 HG22 THR A 74 12.471 0.331 -24.820 1.00 0.00 H new ATOM 0 HG23 THR A 74 13.386 1.819 -24.477 1.00 0.00 H new ATOM 229 N LEU A 75 10.789 -0.994 -22.418 1.00 0.00 N ATOM 230 CA LEU A 75 9.593 -1.681 -22.893 1.00 0.00 C ATOM 231 C LEU A 75 8.331 -0.957 -22.437 1.00 0.00 C ATOM 232 O LEU A 75 7.422 -0.714 -23.231 1.00 0.00 O ATOM 233 CB LEU A 75 9.577 -3.125 -22.389 1.00 0.00 C ATOM 234 CG LEU A 75 10.750 -4.003 -22.827 1.00 0.00 C ATOM 235 CD1 LEU A 75 10.766 -5.304 -22.041 1.00 0.00 C ATOM 236 CD2 LEU A 75 10.678 -4.281 -24.322 1.00 0.00 C ATOM 0 H LEU A 75 11.423 -1.578 -21.872 1.00 0.00 H new ATOM 0 HA LEU A 75 9.614 -1.683 -23.983 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.549 -3.108 -21.299 1.00 0.00 H new ATOM 0 HB3 LEU A 75 8.652 -3.595 -22.724 1.00 0.00 H new ATOM 0 HG LEU A 75 11.677 -3.468 -22.621 1.00 0.00 H new ATOM 0 HD11 LEU A 75 11.608 -5.915 -22.367 1.00 0.00 H new ATOM 0 HD12 LEU A 75 10.866 -5.086 -20.978 1.00 0.00 H new ATOM 0 HD13 LEU A 75 9.836 -5.845 -22.214 1.00 0.00 H new ATOM 0 HD21 LEU A 75 11.520 -4.907 -24.617 1.00 0.00 H new ATOM 0 HD22 LEU A 75 9.745 -4.796 -24.552 1.00 0.00 H new ATOM 0 HD23 LEU A 75 10.717 -3.339 -24.869 1.00 0.00 H new ATOM 248 N ILE A 76 8.283 -0.614 -21.154 1.00 0.00 N ATOM 249 CA ILE A 76 7.133 0.086 -20.594 1.00 0.00 C ATOM 250 C ILE A 76 6.859 1.384 -21.346 1.00 0.00 C ATOM 251 O ILE A 76 5.716 1.683 -21.691 1.00 0.00 O ATOM 252 CB ILE A 76 7.341 0.405 -19.102 1.00 0.00 C ATOM 253 CG1 ILE A 76 7.716 -0.865 -18.334 1.00 0.00 C ATOM 254 CG2 ILE A 76 6.086 1.034 -18.515 1.00 0.00 C ATOM 255 CD1 ILE A 76 6.655 -1.941 -18.390 1.00 0.00 C ATOM 0 H ILE A 76 9.026 -0.809 -20.483 1.00 0.00 H new ATOM 0 HA ILE A 76 6.276 -0.580 -20.700 1.00 0.00 H new ATOM 0 HB ILE A 76 8.160 1.119 -19.009 1.00 0.00 H new ATOM 0 HG12 ILE A 76 8.647 -1.263 -18.738 1.00 0.00 H new ATOM 0 HG13 ILE A 76 7.906 -0.607 -17.292 1.00 0.00 H new ATOM 0 HG21 ILE A 76 6.249 1.254 -17.460 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.859 1.958 -19.047 1.00 0.00 H new ATOM 0 HG23 ILE A 76 5.250 0.342 -18.617 1.00 0.00 H new ATOM 0 HD11 ILE A 76 6.989 -2.811 -17.824 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.729 -1.561 -17.959 1.00 0.00 H new ATOM 0 HD13 ILE A 76 6.482 -2.227 -19.427 1.00 0.00 H new ATOM 267 N ILE A 77 7.916 2.149 -21.599 1.00 0.00 N ATOM 268 CA ILE A 77 7.789 3.413 -22.314 1.00 0.00 C ATOM 269 C ILE A 77 7.322 3.189 -23.748 1.00 0.00 C ATOM 270 O ILE A 77 6.370 3.820 -24.208 1.00 0.00 O ATOM 271 CB ILE A 77 9.122 4.184 -22.334 1.00 0.00 C ATOM 272 CG1 ILE A 77 9.592 4.471 -20.906 1.00 0.00 C ATOM 273 CG2 ILE A 77 8.973 5.479 -23.119 1.00 0.00 C ATOM 274 CD1 ILE A 77 10.818 5.355 -20.840 1.00 0.00 C ATOM 0 H ILE A 77 8.869 1.916 -21.320 1.00 0.00 H new ATOM 0 HA ILE A 77 7.045 4.004 -21.781 1.00 0.00 H new ATOM 0 HB ILE A 77 9.874 3.568 -22.827 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.781 4.946 -20.354 1.00 0.00 H new ATOM 0 HG13 ILE A 77 9.808 3.527 -20.406 1.00 0.00 H new ATOM 0 HG21 ILE A 77 9.923 6.013 -23.124 1.00 0.00 H new ATOM 0 HG22 ILE A 77 8.679 5.252 -24.144 1.00 0.00 H new ATOM 0 HG23 ILE A 77 8.210 6.102 -22.652 1.00 0.00 H new ATOM 0 HD11 ILE A 77 11.095 5.516 -19.798 1.00 0.00 H new ATOM 0 HD12 ILE A 77 11.643 4.872 -21.364 1.00 0.00 H new ATOM 0 HD13 ILE A 77 10.601 6.314 -21.310 1.00 0.00 H new ATOM 286 N PHE A 78 7.999 2.287 -24.451 1.00 0.00 N ATOM 287 CA PHE A 78 7.653 1.979 -25.834 1.00 0.00 C ATOM 288 C PHE A 78 6.183 1.588 -25.952 1.00 0.00 C ATOM 289 O PHE A 78 5.458 2.106 -26.801 1.00 0.00 O ATOM 290 CB PHE A 78 8.537 0.848 -26.363 1.00 0.00 C ATOM 291 CG PHE A 78 8.114 0.337 -27.710 1.00 0.00 C ATOM 292 CD1 PHE A 78 8.540 0.966 -28.869 1.00 0.00 C ATOM 293 CD2 PHE A 78 7.290 -0.772 -27.819 1.00 0.00 C ATOM 294 CE1 PHE A 78 8.154 0.498 -30.111 1.00 0.00 C ATOM 295 CE2 PHE A 78 6.901 -1.244 -29.057 1.00 0.00 C ATOM 296 CZ PHE A 78 7.332 -0.608 -30.205 1.00 0.00 C ATOM 0 H PHE A 78 8.790 1.757 -24.086 1.00 0.00 H new ATOM 0 HA PHE A 78 7.822 2.874 -26.433 1.00 0.00 H new ATOM 0 HB2 PHE A 78 9.567 1.201 -26.424 1.00 0.00 H new ATOM 0 HB3 PHE A 78 8.524 0.024 -25.650 1.00 0.00 H new ATOM 0 HD1 PHE A 78 9.181 1.832 -28.801 1.00 0.00 H new ATOM 0 HD2 PHE A 78 6.948 -1.273 -26.925 1.00 0.00 H new ATOM 0 HE1 PHE A 78 8.495 0.996 -31.007 1.00 0.00 H new ATOM 0 HE2 PHE A 78 6.260 -2.110 -29.128 1.00 0.00 H new ATOM 0 HZ PHE A 78 7.027 -0.975 -31.174 1.00 0.00 H new ATOM 306 N GLY A 79 5.749 0.670 -25.094 1.00 0.00 N ATOM 307 CA GLY A 79 4.368 0.224 -25.119 1.00 0.00 C ATOM 308 C GLY A 79 3.386 1.372 -24.993 1.00 0.00 C ATOM 309 O GLY A 79 2.509 1.545 -25.839 1.00 0.00 O ATOM 0 H GLY A 79 6.329 0.227 -24.382 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.179 -0.311 -26.049 1.00 0.00 H new ATOM 0 HA3 GLY A 79 4.203 -0.482 -24.306 1.00 0.00 H new ATOM 313 N VAL A 80 3.532 2.159 -23.931 1.00 0.00 N ATOM 314 CA VAL A 80 2.650 3.296 -23.696 1.00 0.00 C ATOM 315 C VAL A 80 2.739 4.305 -24.836 1.00 0.00 C ATOM 316 O VAL A 80 1.747 4.939 -25.195 1.00 0.00 O ATOM 317 CB VAL A 80 2.988 4.004 -22.371 1.00 0.00 C ATOM 318 CG1 VAL A 80 2.010 5.138 -22.106 1.00 0.00 C ATOM 319 CG2 VAL A 80 2.987 3.009 -21.221 1.00 0.00 C ATOM 0 H VAL A 80 4.252 2.030 -23.220 1.00 0.00 H new ATOM 0 HA VAL A 80 1.635 2.903 -23.641 1.00 0.00 H new ATOM 0 HB VAL A 80 3.988 4.431 -22.452 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.265 5.626 -21.165 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.065 5.863 -22.918 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.998 4.739 -22.045 1.00 0.00 H new ATOM 0 HG21 VAL A 80 3.228 3.526 -20.292 1.00 0.00 H new ATOM 0 HG22 VAL A 80 2.001 2.551 -21.137 1.00 0.00 H new ATOM 0 HG23 VAL A 80 3.731 2.235 -21.409 1.00 0.00 H new ATOM 329 N MET A 81 3.933 4.448 -25.400 1.00 0.00 N ATOM 330 CA MET A 81 4.151 5.380 -26.501 1.00 0.00 C ATOM 331 C MET A 81 3.382 4.942 -27.743 1.00 0.00 C ATOM 332 O MET A 81 2.753 5.760 -28.415 1.00 0.00 O ATOM 333 CB MET A 81 5.644 5.483 -26.822 1.00 0.00 C ATOM 334 CG MET A 81 6.418 6.345 -25.838 1.00 0.00 C ATOM 335 SD MET A 81 6.239 8.109 -26.170 1.00 0.00 S ATOM 336 CE MET A 81 5.891 8.729 -24.526 1.00 0.00 C ATOM 0 H MET A 81 4.764 3.931 -25.114 1.00 0.00 H new ATOM 0 HA MET A 81 3.784 6.359 -26.194 1.00 0.00 H new ATOM 0 HB2 MET A 81 6.075 4.482 -26.833 1.00 0.00 H new ATOM 0 HB3 MET A 81 5.764 5.893 -27.825 1.00 0.00 H new ATOM 0 HG2 MET A 81 6.074 6.133 -24.826 1.00 0.00 H new ATOM 0 HG3 MET A 81 7.474 6.077 -25.878 1.00 0.00 H new ATOM 0 HE1 MET A 81 5.755 9.810 -24.566 1.00 0.00 H new ATOM 0 HE2 MET A 81 4.982 8.263 -24.146 1.00 0.00 H new ATOM 0 HE3 MET A 81 6.724 8.493 -23.864 1.00 0.00 H new ATOM 346 N ALA A 82 3.437 3.649 -28.043 1.00 0.00 N ATOM 347 CA ALA A 82 2.743 3.104 -29.204 1.00 0.00 C ATOM 348 C ALA A 82 1.231 3.208 -29.039 1.00 0.00 C ATOM 349 O ALA A 82 0.525 3.635 -29.951 1.00 0.00 O ATOM 350 CB ALA A 82 3.153 1.656 -29.432 1.00 0.00 C ATOM 0 H ALA A 82 3.955 2.959 -27.499 1.00 0.00 H new ATOM 0 HA ALA A 82 3.028 3.693 -30.076 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.627 1.262 -30.302 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.228 1.605 -29.604 1.00 0.00 H new ATOM 0 HB3 ALA A 82 2.897 1.063 -28.554 1.00 0.00 H new ATOM 356 N GLY A 83 0.739 2.813 -27.868 1.00 0.00 N ATOM 357 CA GLY A 83 -0.687 2.869 -27.606 1.00 0.00 C ATOM 358 C GLY A 83 -1.227 4.285 -27.639 1.00 0.00 C ATOM 359 O GLY A 83 -2.185 4.575 -28.356 1.00 0.00 O ATOM 0 H GLY A 83 1.303 2.455 -27.097 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -1.213 2.265 -28.346 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -0.892 2.428 -26.630 1.00 0.00 H new ATOM 363 N VAL A 84 -0.613 5.170 -26.860 1.00 0.00 N ATOM 364 CA VAL A 84 -1.038 6.564 -26.803 1.00 0.00 C ATOM 365 C VAL A 84 -1.079 7.183 -28.196 1.00 0.00 C ATOM 366 O VAL A 84 -2.127 7.643 -28.651 1.00 0.00 O ATOM 367 CB VAL A 84 -0.103 7.400 -25.909 1.00 0.00 C ATOM 368 CG1 VAL A 84 -0.438 8.879 -26.022 1.00 0.00 C ATOM 369 CG2 VAL A 84 -0.192 6.933 -24.464 1.00 0.00 C ATOM 0 H VAL A 84 0.181 4.946 -26.259 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.040 6.572 -26.375 1.00 0.00 H new ATOM 0 HB VAL A 84 0.922 7.258 -26.251 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.233 9.454 -25.383 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.319 9.201 -27.057 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.468 9.044 -25.707 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.475 7.534 -23.846 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.216 7.045 -24.108 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.102 5.885 -24.402 1.00 0.00 H new ATOM 816 N ILE B 73 6.248 -9.771 -22.516 1.00 0.00 N ATOM 817 CA ILE B 73 4.984 -9.546 -23.205 1.00 0.00 C ATOM 818 C ILE B 73 4.004 -8.782 -22.322 1.00 0.00 C ATOM 819 O ILE B 73 3.449 -7.761 -22.729 1.00 0.00 O ATOM 820 CB ILE B 73 4.336 -10.874 -23.640 1.00 0.00 C ATOM 821 CG1 ILE B 73 5.277 -11.646 -24.568 1.00 0.00 C ATOM 822 CG2 ILE B 73 3.003 -10.614 -24.326 1.00 0.00 C ATOM 823 CD1 ILE B 73 4.958 -13.122 -24.660 1.00 0.00 C ATOM 0 HA ILE B 73 5.210 -8.953 -24.091 1.00 0.00 H new ATOM 0 HB ILE B 73 4.153 -11.480 -22.752 1.00 0.00 H new ATOM 0 HG12 ILE B 73 5.229 -11.209 -25.566 1.00 0.00 H new ATOM 0 HG13 ILE B 73 6.301 -11.525 -24.216 1.00 0.00 H new ATOM 0 HG21 ILE B 73 2.558 -11.562 -24.627 1.00 0.00 H new ATOM 0 HG22 ILE B 73 2.333 -10.101 -23.636 1.00 0.00 H new ATOM 0 HG23 ILE B 73 3.162 -9.992 -25.207 1.00 0.00 H new ATOM 0 HD11 ILE B 73 5.665 -13.606 -25.334 1.00 0.00 H new ATOM 0 HD12 ILE B 73 5.034 -13.573 -23.671 1.00 0.00 H new ATOM 0 HD13 ILE B 73 3.945 -13.252 -25.041 1.00 0.00 H new ATOM 835 N THR B 74 3.797 -9.281 -21.107 1.00 0.00 N ATOM 836 CA THR B 74 2.885 -8.646 -20.165 1.00 0.00 C ATOM 837 C THR B 74 3.173 -7.154 -20.043 1.00 0.00 C ATOM 838 O THR B 74 2.262 -6.327 -20.115 1.00 0.00 O ATOM 839 CB THR B 74 2.980 -9.291 -18.769 1.00 0.00 C ATOM 840 OG1 THR B 74 2.685 -10.689 -18.855 1.00 0.00 O ATOM 841 CG2 THR B 74 2.018 -8.623 -17.798 1.00 0.00 C ATOM 0 H THR B 74 4.249 -10.124 -20.753 1.00 0.00 H new ATOM 0 HA THR B 74 1.877 -8.789 -20.555 1.00 0.00 H new ATOM 0 HB THR B 74 3.996 -9.157 -18.399 1.00 0.00 H new ATOM 0 HG1 THR B 74 2.749 -11.092 -17.964 1.00 0.00 H new ATOM 0 HG21 THR B 74 2.103 -9.095 -16.819 1.00 0.00 H new ATOM 0 HG22 THR B 74 2.264 -7.564 -17.713 1.00 0.00 H new ATOM 0 HG23 THR B 74 0.997 -8.730 -18.165 1.00 0.00 H new ATOM 849 N LEU B 75 4.444 -6.814 -19.858 1.00 0.00 N ATOM 850 CA LEU B 75 4.852 -5.420 -19.727 1.00 0.00 C ATOM 851 C LEU B 75 4.403 -4.605 -20.936 1.00 0.00 C ATOM 852 O LEU B 75 3.818 -3.531 -20.791 1.00 0.00 O ATOM 853 CB LEU B 75 6.370 -5.325 -19.569 1.00 0.00 C ATOM 854 CG LEU B 75 6.973 -6.101 -18.398 1.00 0.00 C ATOM 855 CD1 LEU B 75 8.480 -6.227 -18.560 1.00 0.00 C ATOM 856 CD2 LEU B 75 6.631 -5.424 -17.078 1.00 0.00 C ATOM 0 H LEU B 75 5.210 -7.485 -19.795 1.00 0.00 H new ATOM 0 HA LEU B 75 4.374 -5.009 -18.838 1.00 0.00 H new ATOM 0 HB2 LEU B 75 6.834 -5.678 -20.490 1.00 0.00 H new ATOM 0 HB3 LEU B 75 6.639 -4.274 -19.459 1.00 0.00 H new ATOM 0 HG LEU B 75 6.544 -7.103 -18.392 1.00 0.00 H new ATOM 0 HD11 LEU B 75 8.891 -6.782 -17.717 1.00 0.00 H new ATOM 0 HD12 LEU B 75 8.703 -6.756 -19.487 1.00 0.00 H new ATOM 0 HD13 LEU B 75 8.927 -5.233 -18.593 1.00 0.00 H new ATOM 0 HD21 LEU B 75 7.068 -5.990 -16.255 1.00 0.00 H new ATOM 0 HD22 LEU B 75 7.031 -4.410 -17.075 1.00 0.00 H new ATOM 0 HD23 LEU B 75 5.548 -5.387 -16.958 1.00 0.00 H new ATOM 868 N ILE B 76 4.678 -5.124 -22.128 1.00 0.00 N ATOM 869 CA ILE B 76 4.300 -4.446 -23.362 1.00 0.00 C ATOM 870 C ILE B 76 2.802 -4.161 -23.395 1.00 0.00 C ATOM 871 O ILE B 76 2.377 -3.059 -23.743 1.00 0.00 O ATOM 872 CB ILE B 76 4.681 -5.277 -24.601 1.00 0.00 C ATOM 873 CG1 ILE B 76 6.169 -5.632 -24.566 1.00 0.00 C ATOM 874 CG2 ILE B 76 4.342 -4.517 -25.874 1.00 0.00 C ATOM 875 CD1 ILE B 76 7.079 -4.424 -24.591 1.00 0.00 C ATOM 0 H ILE B 76 5.161 -6.012 -22.265 1.00 0.00 H new ATOM 0 HA ILE B 76 4.848 -3.504 -23.385 1.00 0.00 H new ATOM 0 HB ILE B 76 4.105 -6.203 -24.590 1.00 0.00 H new ATOM 0 HG12 ILE B 76 6.375 -6.213 -23.667 1.00 0.00 H new ATOM 0 HG13 ILE B 76 6.402 -6.270 -25.418 1.00 0.00 H new ATOM 0 HG21 ILE B 76 4.617 -5.118 -26.741 1.00 0.00 H new ATOM 0 HG22 ILE B 76 3.272 -4.311 -25.901 1.00 0.00 H new ATOM 0 HG23 ILE B 76 4.893 -3.577 -25.894 1.00 0.00 H new ATOM 0 HD11 ILE B 76 8.118 -4.751 -24.564 1.00 0.00 H new ATOM 0 HD12 ILE B 76 6.902 -3.854 -25.503 1.00 0.00 H new ATOM 0 HD13 ILE B 76 6.874 -3.796 -23.724 1.00 0.00 H new ATOM 887 N ILE B 77 2.007 -5.161 -23.030 1.00 0.00 N ATOM 888 CA ILE B 77 0.557 -5.017 -23.016 1.00 0.00 C ATOM 889 C ILE B 77 0.116 -3.992 -21.976 1.00 0.00 C ATOM 890 O ILE B 77 -0.644 -3.072 -22.279 1.00 0.00 O ATOM 891 CB ILE B 77 -0.140 -6.360 -22.723 1.00 0.00 C ATOM 892 CG1 ILE B 77 0.160 -7.367 -23.835 1.00 0.00 C ATOM 893 CG2 ILE B 77 -1.640 -6.157 -22.575 1.00 0.00 C ATOM 894 CD1 ILE B 77 -0.517 -7.038 -25.147 1.00 0.00 C ATOM 0 H ILE B 77 2.343 -6.080 -22.740 1.00 0.00 H new ATOM 0 HA ILE B 77 0.265 -4.674 -24.008 1.00 0.00 H new ATOM 0 HB ILE B 77 0.247 -6.757 -21.784 1.00 0.00 H new ATOM 0 HG12 ILE B 77 1.238 -7.412 -23.993 1.00 0.00 H new ATOM 0 HG13 ILE B 77 -0.156 -8.359 -23.511 1.00 0.00 H new ATOM 0 HG21 ILE B 77 -2.118 -7.115 -22.368 1.00 0.00 H new ATOM 0 HG22 ILE B 77 -1.835 -5.469 -21.752 1.00 0.00 H new ATOM 0 HG23 ILE B 77 -2.044 -5.742 -23.498 1.00 0.00 H new ATOM 0 HD11 ILE B 77 -0.260 -7.794 -25.889 1.00 0.00 H new ATOM 0 HD12 ILE B 77 -1.598 -7.022 -25.005 1.00 0.00 H new ATOM 0 HD13 ILE B 77 -0.182 -6.060 -25.494 1.00 0.00 H new ATOM 906 N PHE B 78 0.601 -4.155 -20.750 1.00 0.00 N ATOM 907 CA PHE B 78 0.258 -3.243 -19.665 1.00 0.00 C ATOM 908 C PHE B 78 0.559 -1.799 -20.053 1.00 0.00 C ATOM 909 O PHE B 78 -0.272 -0.910 -19.870 1.00 0.00 O ATOM 910 CB PHE B 78 1.030 -3.614 -18.396 1.00 0.00 C ATOM 911 CG PHE B 78 0.899 -2.598 -17.297 1.00 0.00 C ATOM 912 CD1 PHE B 78 -0.159 -2.656 -16.405 1.00 0.00 C ATOM 913 CD2 PHE B 78 1.834 -1.585 -17.157 1.00 0.00 C ATOM 914 CE1 PHE B 78 -0.282 -1.723 -15.392 1.00 0.00 C ATOM 915 CE2 PHE B 78 1.717 -0.650 -16.146 1.00 0.00 C ATOM 916 CZ PHE B 78 0.656 -0.719 -15.263 1.00 0.00 C ATOM 0 H PHE B 78 1.233 -4.910 -20.483 1.00 0.00 H new ATOM 0 HA PHE B 78 -0.811 -3.333 -19.472 1.00 0.00 H new ATOM 0 HB2 PHE B 78 0.675 -4.578 -18.033 1.00 0.00 H new ATOM 0 HB3 PHE B 78 2.084 -3.736 -18.644 1.00 0.00 H new ATOM 0 HD1 PHE B 78 -0.896 -3.439 -16.502 1.00 0.00 H new ATOM 0 HD2 PHE B 78 2.664 -1.525 -17.846 1.00 0.00 H new ATOM 0 HE1 PHE B 78 -1.111 -1.780 -14.702 1.00 0.00 H new ATOM 0 HE2 PHE B 78 2.454 0.133 -16.046 1.00 0.00 H new ATOM 0 HZ PHE B 78 0.561 0.012 -14.473 1.00 0.00 H new ATOM 926 N GLY B 79 1.754 -1.573 -20.589 1.00 0.00 N ATOM 927 CA GLY B 79 2.144 -0.235 -20.995 1.00 0.00 C ATOM 928 C GLY B 79 1.170 0.380 -21.979 1.00 0.00 C ATOM 929 O GLY B 79 0.650 1.473 -21.749 1.00 0.00 O ATOM 0 H GLY B 79 2.459 -2.292 -20.749 1.00 0.00 H new ATOM 0 HA2 GLY B 79 2.216 0.402 -20.114 1.00 0.00 H new ATOM 0 HA3 GLY B 79 3.136 -0.270 -21.445 1.00 0.00 H new ATOM 933 N VAL B 80 0.921 -0.321 -23.080 1.00 0.00 N ATOM 934 CA VAL B 80 0.003 0.163 -24.104 1.00 0.00 C ATOM 935 C VAL B 80 -1.403 0.342 -23.541 1.00 0.00 C ATOM 936 O VAL B 80 -2.126 1.258 -23.930 1.00 0.00 O ATOM 937 CB VAL B 80 -0.056 -0.799 -25.306 1.00 0.00 C ATOM 938 CG1 VAL B 80 -0.976 -0.250 -26.385 1.00 0.00 C ATOM 939 CG2 VAL B 80 1.340 -1.046 -25.859 1.00 0.00 C ATOM 0 H VAL B 80 1.342 -1.227 -23.286 1.00 0.00 H new ATOM 0 HA VAL B 80 0.383 1.128 -24.439 1.00 0.00 H new ATOM 0 HB VAL B 80 -0.462 -1.752 -24.967 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -1.005 -0.943 -27.226 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -1.981 -0.129 -25.980 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -0.603 0.716 -26.724 1.00 0.00 H new ATOM 0 HG21 VAL B 80 1.280 -1.728 -26.707 1.00 0.00 H new ATOM 0 HG22 VAL B 80 1.776 -0.101 -26.183 1.00 0.00 H new ATOM 0 HG23 VAL B 80 1.966 -1.487 -25.083 1.00 0.00 H new ATOM 949 N MET B 81 -1.783 -0.540 -22.622 1.00 0.00 N ATOM 950 CA MET B 81 -3.102 -0.478 -22.004 1.00 0.00 C ATOM 951 C MET B 81 -3.251 0.789 -21.167 1.00 0.00 C ATOM 952 O MET B 81 -4.273 1.471 -21.233 1.00 0.00 O ATOM 953 CB MET B 81 -3.338 -1.711 -21.130 1.00 0.00 C ATOM 954 CG MET B 81 -3.705 -2.956 -21.921 1.00 0.00 C ATOM 955 SD MET B 81 -3.982 -4.392 -20.868 1.00 0.00 S ATOM 956 CE MET B 81 -5.333 -3.808 -19.846 1.00 0.00 C ATOM 0 H MET B 81 -1.197 -1.305 -22.289 1.00 0.00 H new ATOM 0 HA MET B 81 -3.848 -0.457 -22.799 1.00 0.00 H new ATOM 0 HB2 MET B 81 -2.438 -1.912 -20.549 1.00 0.00 H new ATOM 0 HB3 MET B 81 -4.135 -1.495 -20.418 1.00 0.00 H new ATOM 0 HG2 MET B 81 -4.605 -2.759 -22.504 1.00 0.00 H new ATOM 0 HG3 MET B 81 -2.908 -3.179 -22.630 1.00 0.00 H new ATOM 0 HE1 MET B 81 -5.849 -4.660 -19.403 1.00 0.00 H new ATOM 0 HE2 MET B 81 -4.941 -3.170 -19.054 1.00 0.00 H new ATOM 0 HE3 MET B 81 -6.032 -3.239 -20.458 1.00 0.00 H new ATOM 966 N ALA B 82 -2.225 1.097 -20.381 1.00 0.00 N ATOM 967 CA ALA B 82 -2.242 2.283 -19.533 1.00 0.00 C ATOM 968 C ALA B 82 -2.242 3.557 -20.370 1.00 0.00 C ATOM 969 O ALA B 82 -3.014 4.480 -20.115 1.00 0.00 O ATOM 970 CB ALA B 82 -1.052 2.271 -18.585 1.00 0.00 C ATOM 0 H ALA B 82 -1.372 0.542 -20.314 1.00 0.00 H new ATOM 0 HA ALA B 82 -3.160 2.266 -18.946 1.00 0.00 H new ATOM 0 HB1 ALA B 82 -1.077 3.162 -17.958 1.00 0.00 H new ATOM 0 HB2 ALA B 82 -1.098 1.383 -17.955 1.00 0.00 H new ATOM 0 HB3 ALA B 82 -0.127 2.260 -19.162 1.00 0.00 H new ATOM 976 N GLY B 83 -1.368 3.601 -21.372 1.00 0.00 N ATOM 977 CA GLY B 83 -1.283 4.767 -22.231 1.00 0.00 C ATOM 978 C GLY B 83 -2.566 5.016 -23.000 1.00 0.00 C ATOM 979 O GLY B 83 -3.119 6.115 -22.960 1.00 0.00 O ATOM 0 H GLY B 83 -0.718 2.850 -21.603 1.00 0.00 H new ATOM 0 HA2 GLY B 83 -1.050 5.643 -21.627 1.00 0.00 H new ATOM 0 HA3 GLY B 83 -0.461 4.637 -22.935 1.00 0.00 H new ATOM 983 N VAL B 84 -3.040 3.993 -23.704 1.00 0.00 N ATOM 984 CA VAL B 84 -4.265 4.105 -24.486 1.00 0.00 C ATOM 985 C VAL B 84 -5.416 4.626 -23.633 1.00 0.00 C ATOM 986 O VAL B 84 -6.009 5.662 -23.937 1.00 0.00 O ATOM 987 CB VAL B 84 -4.667 2.750 -25.098 1.00 0.00 C ATOM 988 CG1 VAL B 84 -6.056 2.833 -25.713 1.00 0.00 C ATOM 989 CG2 VAL B 84 -3.642 2.309 -26.132 1.00 0.00 C ATOM 0 H VAL B 84 -2.594 3.077 -23.749 1.00 0.00 H new ATOM 0 HA VAL B 84 -4.063 4.813 -25.290 1.00 0.00 H new ATOM 0 HB VAL B 84 -4.692 2.004 -24.303 1.00 0.00 H new ATOM 0 HG11 VAL B 84 -6.323 1.867 -26.140 1.00 0.00 H new ATOM 0 HG12 VAL B 84 -6.779 3.102 -24.943 1.00 0.00 H new ATOM 0 HG13 VAL B 84 -6.062 3.591 -26.497 1.00 0.00 H new ATOM 0 HG21 VAL B 84 -3.941 1.350 -26.555 1.00 0.00 H new ATOM 0 HG22 VAL B 84 -3.583 3.053 -26.926 1.00 0.00 H new ATOM 0 HG23 VAL B 84 -2.666 2.208 -25.657 1.00 0.00 H new ATOM 999 N ILE B 85 -5.727 3.902 -22.563 1.00 0.00 N ATOM 1000 CA ILE B 85 -6.806 4.292 -21.664 1.00 0.00 C ATOM 1001 C ILE B 85 -6.601 5.711 -21.142 1.00 0.00 C ATOM 1002 O ILE B 85 -7.548 6.489 -21.039 1.00 0.00 O ATOM 1003 CB ILE B 85 -6.918 3.329 -20.468 1.00 0.00 C ATOM 1004 CG1 ILE B 85 -7.252 1.916 -20.953 1.00 0.00 C ATOM 1005 CG2 ILE B 85 -7.973 3.821 -19.488 1.00 0.00 C ATOM 1006 CD1 ILE B 85 -8.616 1.806 -21.598 1.00 0.00 C ATOM 0 H ILE B 85 -5.247 3.042 -22.298 1.00 0.00 H new ATOM 0 HA ILE B 85 -7.729 4.249 -22.242 1.00 0.00 H new ATOM 0 HB ILE B 85 -5.958 3.299 -19.953 1.00 0.00 H new ATOM 0 HG12 ILE B 85 -6.494 1.597 -21.668 1.00 0.00 H new ATOM 0 HG13 ILE B 85 -7.202 1.229 -20.108 1.00 0.00 H new ATOM 0 HG21 ILE B 85 -8.040 3.129 -18.648 1.00 0.00 H new ATOM 0 HG22 ILE B 85 -7.697 4.810 -19.122 1.00 0.00 H new ATOM 0 HG23 ILE B 85 -8.939 3.876 -19.990 1.00 0.00 H new ATOM 0 HD11 ILE B 85 -8.785 0.778 -21.918 1.00 0.00 H new ATOM 0 HD12 ILE B 85 -9.383 2.094 -20.879 1.00 0.00 H new ATOM 0 HD13 ILE B 85 -8.664 2.467 -22.463 1.00 0.00 H new ATOM 1018 N GLY B 86 -5.355 6.041 -20.815 1.00 0.00 N ATOM 1019 CA GLY B 86 -5.047 7.366 -20.309 1.00 0.00 C ATOM 1020 C GLY B 86 -5.430 8.462 -21.284 1.00 0.00 C ATOM 1021 O GLY B 86 -6.126 9.411 -20.922 1.00 0.00 O ATOM 0 H GLY B 86 -4.554 5.415 -20.891 1.00 0.00 H new ATOM 0 HA2 GLY B 86 -5.572 7.523 -19.366 1.00 0.00 H new ATOM 0 HA3 GLY B 86 -3.980 7.431 -20.095 1.00 0.00 H new ATOM 1025 N THR B 87 -4.972 8.333 -22.525 1.00 0.00 N ATOM 1026 CA THR B 87 -5.268 9.322 -23.555 1.00 0.00 C ATOM 1027 C THR B 87 -6.772 9.494 -23.736 1.00 0.00 C ATOM 1028 O THR B 87 -7.268 10.614 -23.858 1.00 0.00 O ATOM 1029 CB THR B 87 -4.641 8.930 -24.906 1.00 0.00 C ATOM 1030 OG1 THR B 87 -3.329 8.396 -24.701 1.00 0.00 O ATOM 1031 CG2 THR B 87 -4.565 10.132 -25.836 1.00 0.00 C ATOM 0 H THR B 87 -4.395 7.554 -22.842 1.00 0.00 H new ATOM 0 HA THR B 87 -4.835 10.265 -23.222 1.00 0.00 H new ATOM 0 HB THR B 87 -5.273 8.172 -25.368 1.00 0.00 H new ATOM 0 HG1 THR B 87 -2.829 8.980 -24.093 1.00 0.00 H new ATOM 0 HG21 THR B 87 -4.119 9.831 -26.784 1.00 0.00 H new ATOM 0 HG22 THR B 87 -5.569 10.518 -26.014 1.00 0.00 H new ATOM 0 HG23 THR B 87 -3.953 10.909 -25.377 1.00 0.00 H new ATOM 1039 N ILE B 88 -7.493 8.378 -23.752 1.00 0.00 N ATOM 1040 CA ILE B 88 -8.941 8.406 -23.917 1.00 0.00 C ATOM 1041 C ILE B 88 -9.597 9.285 -22.858 1.00 0.00 C ATOM 1042 O ILE B 88 -10.388 10.175 -23.176 1.00 0.00 O ATOM 1043 CB ILE B 88 -9.544 6.991 -23.839 1.00 0.00 C ATOM 1044 CG1 ILE B 88 -9.049 6.137 -25.008 1.00 0.00 C ATOM 1045 CG2 ILE B 88 -11.064 7.063 -23.836 1.00 0.00 C ATOM 1046 CD1 ILE B 88 -9.532 6.620 -26.357 1.00 0.00 C ATOM 0 H ILE B 88 -7.098 7.443 -23.653 1.00 0.00 H new ATOM 0 HA ILE B 88 -9.138 8.822 -24.905 1.00 0.00 H new ATOM 0 HB ILE B 88 -9.219 6.524 -22.909 1.00 0.00 H new ATOM 0 HG12 ILE B 88 -7.959 6.127 -25.004 1.00 0.00 H new ATOM 0 HG13 ILE B 88 -9.378 5.108 -24.861 1.00 0.00 H new ATOM 0 HG21 ILE B 88 -11.476 6.055 -23.781 1.00 0.00 H new ATOM 0 HG22 ILE B 88 -11.399 7.640 -22.974 1.00 0.00 H new ATOM 0 HG23 ILE B 88 -11.407 7.545 -24.751 1.00 0.00 H new ATOM 0 HD11 ILE B 88 -9.142 5.967 -27.138 1.00 0.00 H new ATOM 0 HD12 ILE B 88 -10.622 6.604 -26.381 1.00 0.00 H new ATOM 0 HD13 ILE B 88 -9.181 7.638 -26.526 1.00 0.00 H new ATOM 1058 N LEU B 89 -9.263 9.032 -21.597 1.00 0.00 N ATOM 1059 CA LEU B 89 -9.818 9.802 -20.489 1.00 0.00 C ATOM 1060 C LEU B 89 -9.538 11.291 -20.667 1.00 0.00 C ATOM 1061 O LEU B 89 -10.452 12.115 -20.627 1.00 0.00 O ATOM 1062 CB LEU B 89 -9.235 9.316 -19.162 1.00 0.00 C ATOM 1063 CG LEU B 89 -9.786 7.992 -18.632 1.00 0.00 C ATOM 1064 CD1 LEU B 89 -9.025 7.557 -17.388 1.00 0.00 C ATOM 1065 CD2 LEU B 89 -11.273 8.114 -18.334 1.00 0.00 C ATOM 0 H LEU B 89 -8.611 8.300 -21.316 1.00 0.00 H new ATOM 0 HA LEU B 89 -10.898 9.653 -20.480 1.00 0.00 H new ATOM 0 HB2 LEU B 89 -8.156 9.217 -19.277 1.00 0.00 H new ATOM 0 HB3 LEU B 89 -9.407 10.085 -18.409 1.00 0.00 H new ATOM 0 HG LEU B 89 -9.651 7.231 -19.400 1.00 0.00 H new ATOM 0 HD11 LEU B 89 -9.431 6.613 -17.025 1.00 0.00 H new ATOM 0 HD12 LEU B 89 -7.971 7.428 -17.633 1.00 0.00 H new ATOM 0 HD13 LEU B 89 -9.128 8.318 -16.614 1.00 0.00 H new ATOM 0 HD21 LEU B 89 -11.648 7.162 -17.958 1.00 0.00 H new ATOM 0 HD22 LEU B 89 -11.431 8.889 -17.584 1.00 0.00 H new ATOM 0 HD23 LEU B 89 -11.806 8.379 -19.247 1.00 0.00 H new ATOM 1077 N LEU B 90 -8.268 11.629 -20.863 1.00 0.00 N ATOM 1078 CA LEU B 90 -7.866 13.019 -21.049 1.00 0.00 C ATOM 1079 C LEU B 90 -8.604 13.646 -22.228 1.00 0.00 C ATOM 1080 O LEU B 90 -9.190 14.722 -22.105 1.00 0.00 O ATOM 1081 CB LEU B 90 -6.356 13.109 -21.272 1.00 0.00 C ATOM 1082 CG LEU B 90 -5.477 12.623 -20.119 1.00 0.00 C ATOM 1083 CD1 LEU B 90 -4.142 12.117 -20.641 1.00 0.00 C ATOM 1084 CD2 LEU B 90 -5.267 13.736 -19.102 1.00 0.00 C ATOM 0 H LEU B 90 -7.499 10.960 -20.897 1.00 0.00 H new ATOM 0 HA LEU B 90 -8.127 13.570 -20.146 1.00 0.00 H new ATOM 0 HB2 LEU B 90 -6.105 12.532 -22.162 1.00 0.00 H new ATOM 0 HB3 LEU B 90 -6.101 14.148 -21.484 1.00 0.00 H new ATOM 0 HG LEU B 90 -5.986 11.796 -19.624 1.00 0.00 H new ATOM 0 HD11 LEU B 90 -3.531 11.776 -19.806 1.00 0.00 H new ATOM 0 HD12 LEU B 90 -4.311 11.289 -21.330 1.00 0.00 H new ATOM 0 HD13 LEU B 90 -3.626 12.923 -21.163 1.00 0.00 H new ATOM 0 HD21 LEU B 90 -4.639 13.372 -18.289 1.00 0.00 H new ATOM 0 HD22 LEU B 90 -4.780 14.583 -19.585 1.00 0.00 H new ATOM 0 HD23 LEU B 90 -6.231 14.051 -18.703 1.00 0.00 H new ATOM 1096 N ILE B 91 -8.571 12.966 -23.369 1.00 0.00 N ATOM 1097 CA ILE B 91 -9.239 13.455 -24.569 1.00 0.00 C ATOM 1098 C ILE B 91 -10.728 13.672 -24.319 1.00 0.00 C ATOM 1099 O ILE B 91 -11.277 14.722 -24.653 1.00 0.00 O ATOM 1100 CB ILE B 91 -9.066 12.479 -25.747 1.00 0.00 C ATOM 1101 CG1 ILE B 91 -7.604 12.446 -26.199 1.00 0.00 C ATOM 1102 CG2 ILE B 91 -9.974 12.875 -26.902 1.00 0.00 C ATOM 1103 CD1 ILE B 91 -7.289 11.308 -27.144 1.00 0.00 C ATOM 0 H ILE B 91 -8.089 12.075 -23.488 1.00 0.00 H new ATOM 0 HA ILE B 91 -8.772 14.406 -24.824 1.00 0.00 H new ATOM 0 HB ILE B 91 -9.348 11.480 -25.416 1.00 0.00 H new ATOM 0 HG12 ILE B 91 -7.362 13.390 -26.687 1.00 0.00 H new ATOM 0 HG13 ILE B 91 -6.963 12.367 -25.321 1.00 0.00 H new ATOM 0 HG21 ILE B 91 -9.840 12.175 -27.727 1.00 0.00 H new ATOM 0 HG22 ILE B 91 -11.013 12.852 -26.572 1.00 0.00 H new ATOM 0 HG23 ILE B 91 -9.721 13.881 -27.235 1.00 0.00 H new ATOM 0 HD11 ILE B 91 -6.236 11.347 -27.422 1.00 0.00 H new ATOM 0 HD12 ILE B 91 -7.499 10.358 -26.653 1.00 0.00 H new ATOM 0 HD13 ILE B 91 -7.904 11.397 -28.039 1.00 0.00 H new ATOM 1115 N SER B 92 -11.376 12.674 -23.727 1.00 0.00 N ATOM 1116 CA SER B 92 -12.802 12.755 -23.434 1.00 0.00 C ATOM 1117 C SER B 92 -13.115 13.993 -22.600 1.00 0.00 C ATOM 1118 O SER B 92 -14.202 14.563 -22.699 1.00 0.00 O ATOM 1119 CB SER B 92 -13.264 11.497 -22.695 1.00 0.00 C ATOM 1120 OG SER B 92 -14.492 11.723 -22.024 1.00 0.00 O ATOM 0 H SER B 92 -10.936 11.799 -23.441 1.00 0.00 H new ATOM 0 HA SER B 92 -13.339 12.830 -24.379 1.00 0.00 H new ATOM 0 HB2 SER B 92 -13.378 10.676 -23.403 1.00 0.00 H new ATOM 0 HB3 SER B 92 -12.503 11.194 -21.976 1.00 0.00 H new ATOM 0 HG SER B 92 -14.767 10.904 -21.561 1.00 0.00 H new ATOM 1126 N TYR B 93 -12.156 14.403 -21.778 1.00 0.00 N ATOM 1127 CA TYR B 93 -12.329 15.572 -20.923 1.00 0.00 C ATOM 1128 C TYR B 93 -12.291 16.857 -21.744 1.00 0.00 C ATOM 1129 O TYR B 93 -13.021 17.807 -21.465 1.00 0.00 O ATOM 1130 CB TYR B 93 -11.242 15.609 -19.848 1.00 0.00 C ATOM 1131 CG TYR B 93 -11.696 15.070 -18.509 1.00 0.00 C ATOM 1132 CD1 TYR B 93 -12.276 13.813 -18.405 1.00 0.00 C ATOM 1133 CD2 TYR B 93 -11.542 15.819 -17.349 1.00 0.00 C ATOM 1134 CE1 TYR B 93 -12.693 13.317 -17.185 1.00 0.00 C ATOM 1135 CE2 TYR B 93 -11.955 15.332 -16.124 1.00 0.00 C ATOM 1136 CZ TYR B 93 -12.530 14.080 -16.047 1.00 0.00 C ATOM 1137 OH TYR B 93 -12.942 13.590 -14.829 1.00 0.00 O ATOM 0 H TYR B 93 -11.250 13.943 -21.685 1.00 0.00 H new ATOM 0 HA TYR B 93 -13.304 15.498 -20.442 1.00 0.00 H new ATOM 0 HB2 TYR B 93 -10.384 15.031 -20.191 1.00 0.00 H new ATOM 0 HB3 TYR B 93 -10.904 16.637 -19.721 1.00 0.00 H new ATOM 0 HD1 TYR B 93 -12.403 13.212 -19.293 1.00 0.00 H new ATOM 0 HD2 TYR B 93 -11.092 16.799 -17.406 1.00 0.00 H new ATOM 0 HE1 TYR B 93 -13.144 12.338 -17.122 1.00 0.00 H new ATOM 0 HE2 TYR B 93 -11.829 15.928 -15.232 1.00 0.00 H new ATOM 0 HH TYR B 93 -12.754 14.251 -14.130 1.00 0.00 H new ATOM 1147 N GLY B 94 -11.435 16.878 -22.761 1.00 0.00 N ATOM 1148 CA GLY B 94 -11.317 18.050 -23.608 1.00 0.00 C ATOM 1149 C GLY B 94 -12.587 18.332 -24.387 1.00 0.00 C ATOM 1150 O GLY B 94 -12.958 19.489 -24.583 1.00 0.00 O ATOM 0 H GLY B 94 -10.821 16.104 -23.013 1.00 0.00 H new ATOM 0 HA2 GLY B 94 -11.072 18.916 -22.993 1.00 0.00 H new ATOM 0 HA3 GLY B 94 -10.491 17.909 -24.305 1.00 0.00 H new ATOM 1154 N ILE B 95 -13.253 17.272 -24.833 1.00 0.00 N ATOM 1155 CA ILE B 95 -14.487 17.412 -25.595 1.00 0.00 C ATOM 1156 C ILE B 95 -15.594 18.022 -24.742 1.00 0.00 C ATOM 1157 O ILE B 95 -16.453 18.746 -25.246 1.00 0.00 O ATOM 1158 CB ILE B 95 -14.966 16.056 -26.145 1.00 0.00 C ATOM 1159 CG1 ILE B 95 -13.897 15.441 -27.050 1.00 0.00 C ATOM 1160 CG2 ILE B 95 -16.276 16.223 -26.901 1.00 0.00 C ATOM 1161 CD1 ILE B 95 -14.091 13.961 -27.296 1.00 0.00 C ATOM 0 H ILE B 95 -12.959 16.308 -24.680 1.00 0.00 H new ATOM 0 HA ILE B 95 -14.268 18.077 -26.431 1.00 0.00 H new ATOM 0 HB ILE B 95 -15.137 15.381 -25.306 1.00 0.00 H new ATOM 0 HG12 ILE B 95 -13.898 15.963 -28.007 1.00 0.00 H new ATOM 0 HG13 ILE B 95 -12.917 15.601 -26.601 1.00 0.00 H new ATOM 0 HG21 ILE B 95 -16.601 15.256 -27.284 1.00 0.00 H new ATOM 0 HG22 ILE B 95 -17.036 16.621 -26.229 1.00 0.00 H new ATOM 0 HG23 ILE B 95 -16.131 16.912 -27.733 1.00 0.00 H new ATOM 0 HD11 ILE B 95 -13.297 13.593 -27.946 1.00 0.00 H new ATOM 0 HD12 ILE B 95 -14.060 13.427 -26.346 1.00 0.00 H new ATOM 0 HD13 ILE B 95 -15.057 13.795 -27.774 1.00 0.00 H new ATOM 1173 N ARG B 96 -15.566 17.725 -23.447 1.00 0.00 N ATOM 1174 CA ARG B 96 -16.567 18.244 -22.522 1.00 0.00 C ATOM 1175 C ARG B 96 -16.313 19.718 -22.217 1.00 0.00 C ATOM 1176 O ARG B 96 -17.241 20.526 -22.191 1.00 0.00 O ATOM 1177 CB ARG B 96 -16.562 17.435 -21.224 1.00 0.00 C ATOM 1178 CG ARG B 96 -17.943 17.248 -20.617 1.00 0.00 C ATOM 1179 CD ARG B 96 -18.197 18.242 -19.494 1.00 0.00 C ATOM 1180 NE ARG B 96 -19.622 18.500 -19.304 1.00 0.00 N ATOM 1181 CZ ARG B 96 -20.128 19.051 -18.207 1.00 0.00 C ATOM 1182 NH1 ARG B 96 -19.331 19.399 -17.207 1.00 0.00 N ATOM 1183 NH2 ARG B 96 -21.436 19.255 -18.109 1.00 0.00 N ATOM 0 H ARG B 96 -14.861 17.128 -23.014 1.00 0.00 H new ATOM 0 HA ARG B 96 -17.545 18.152 -22.995 1.00 0.00 H new ATOM 0 HB2 ARG B 96 -16.124 16.456 -21.418 1.00 0.00 H new ATOM 0 HB3 ARG B 96 -15.920 17.933 -20.498 1.00 0.00 H new ATOM 0 HG2 ARG B 96 -18.701 17.370 -21.391 1.00 0.00 H new ATOM 0 HG3 ARG B 96 -18.039 16.232 -20.234 1.00 0.00 H new ATOM 0 HD2 ARG B 96 -17.771 17.858 -18.567 1.00 0.00 H new ATOM 0 HD3 ARG B 96 -17.685 19.179 -19.716 1.00 0.00 H new ATOM 0 HE ARG B 96 -20.263 18.243 -20.055 1.00 0.00 H new ATOM 0 HH11 ARG B 96 -18.325 19.244 -17.279 1.00 0.00 H new ATOM 0 HH12 ARG B 96 -19.723 19.822 -16.366 1.00 0.00 H new ATOM 0 HH21 ARG B 96 -22.053 18.988 -18.877 1.00 0.00 H new ATOM 0 HH22 ARG B 96 -21.824 19.678 -17.266 1.00 0.00 H new