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 -154:sc= -0.0164 (180deg=-0.0512) USER MOD Single : B 87 THR OG1 : rot -50:sc= -0.197 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 12.319 -0.887 -18.231 1.00 0.00 N ATOM 197 CA ILE A 73 11.854 0.494 -18.294 1.00 0.00 C ATOM 198 C ILE A 73 11.525 0.899 -19.727 1.00 0.00 C ATOM 199 O ILE A 73 10.406 1.320 -20.024 1.00 0.00 O ATOM 200 CB ILE A 73 12.904 1.467 -17.726 1.00 0.00 C ATOM 201 CG1 ILE A 73 13.269 1.077 -16.292 1.00 0.00 C ATOM 202 CG2 ILE A 73 12.383 2.896 -17.776 1.00 0.00 C ATOM 203 CD1 ILE A 73 12.085 1.052 -15.352 1.00 0.00 C ATOM 0 HA ILE A 73 10.951 0.551 -17.687 1.00 0.00 H new ATOM 0 HB ILE A 73 13.803 1.407 -18.339 1.00 0.00 H new ATOM 0 HG12 ILE A 73 13.737 0.093 -16.300 1.00 0.00 H new ATOM 0 HG13 ILE A 73 14.010 1.779 -15.911 1.00 0.00 H new ATOM 0 HG21 ILE A 73 13.136 3.572 -17.371 1.00 0.00 H new ATOM 0 HG22 ILE A 73 12.168 3.169 -18.809 1.00 0.00 H new ATOM 0 HG23 ILE A 73 11.471 2.972 -17.183 1.00 0.00 H new ATOM 0 HD11 ILE A 73 12.419 0.768 -14.354 1.00 0.00 H new ATOM 0 HD12 ILE A 73 11.630 2.042 -15.314 1.00 0.00 H new ATOM 0 HD13 ILE A 73 11.352 0.329 -15.709 1.00 0.00 H new ATOM 215 N THR A 74 12.506 0.767 -20.614 1.00 0.00 N ATOM 216 CA THR A 74 12.321 1.118 -22.016 1.00 0.00 C ATOM 217 C THR A 74 11.075 0.454 -22.590 1.00 0.00 C ATOM 218 O THR A 74 10.284 1.091 -23.286 1.00 0.00 O ATOM 219 CB THR A 74 13.542 0.711 -22.863 1.00 0.00 C ATOM 220 OG1 THR A 74 14.728 1.316 -22.335 1.00 0.00 O ATOM 221 CG2 THR A 74 13.357 1.128 -24.314 1.00 0.00 C ATOM 0 H THR A 74 13.437 0.419 -20.386 1.00 0.00 H new ATOM 0 HA THR A 74 12.204 2.201 -22.057 1.00 0.00 H new ATOM 0 HB THR A 74 13.639 -0.374 -22.823 1.00 0.00 H new ATOM 0 HG1 THR A 74 15.500 1.051 -22.878 1.00 0.00 H new ATOM 0 HG21 THR A 74 14.232 0.830 -24.892 1.00 0.00 H new ATOM 0 HG22 THR A 74 12.470 0.643 -24.722 1.00 0.00 H new ATOM 0 HG23 THR A 74 13.237 2.210 -24.369 1.00 0.00 H new ATOM 229 N LEU A 75 10.905 -0.830 -22.293 1.00 0.00 N ATOM 230 CA LEU A 75 9.753 -1.581 -22.778 1.00 0.00 C ATOM 231 C LEU A 75 8.449 -0.909 -22.362 1.00 0.00 C ATOM 232 O LEU A 75 7.558 -0.695 -23.185 1.00 0.00 O ATOM 233 CB LEU A 75 9.793 -3.015 -22.247 1.00 0.00 C ATOM 234 CG LEU A 75 10.777 -3.960 -22.938 1.00 0.00 C ATOM 235 CD1 LEU A 75 10.723 -5.342 -22.306 1.00 0.00 C ATOM 236 CD2 LEU A 75 10.481 -4.041 -24.428 1.00 0.00 C ATOM 0 H LEU A 75 11.550 -1.372 -21.719 1.00 0.00 H new ATOM 0 HA LEU A 75 9.798 -1.602 -23.867 1.00 0.00 H new ATOM 0 HB2 LEU A 75 10.037 -2.981 -21.185 1.00 0.00 H new ATOM 0 HB3 LEU A 75 8.793 -3.440 -22.330 1.00 0.00 H new ATOM 0 HG LEU A 75 11.784 -3.563 -22.809 1.00 0.00 H new ATOM 0 HD11 LEU A 75 11.430 -6.001 -22.811 1.00 0.00 H new ATOM 0 HD12 LEU A 75 10.984 -5.270 -21.250 1.00 0.00 H new ATOM 0 HD13 LEU A 75 9.716 -5.748 -22.403 1.00 0.00 H new ATOM 0 HD21 LEU A 75 11.191 -4.718 -24.904 1.00 0.00 H new ATOM 0 HD22 LEU A 75 9.468 -4.414 -24.578 1.00 0.00 H new ATOM 0 HD23 LEU A 75 10.572 -3.049 -24.871 1.00 0.00 H new ATOM 248 N ILE A 76 8.344 -0.576 -21.079 1.00 0.00 N ATOM 249 CA ILE A 76 7.150 0.076 -20.555 1.00 0.00 C ATOM 250 C ILE A 76 6.847 1.362 -21.315 1.00 0.00 C ATOM 251 O ILE A 76 5.705 1.609 -21.706 1.00 0.00 O ATOM 252 CB ILE A 76 7.299 0.401 -19.057 1.00 0.00 C ATOM 253 CG1 ILE A 76 7.593 -0.873 -18.262 1.00 0.00 C ATOM 254 CG2 ILE A 76 6.041 1.080 -18.535 1.00 0.00 C ATOM 255 CD1 ILE A 76 6.540 -1.946 -18.430 1.00 0.00 C ATOM 0 H ILE A 76 9.071 -0.747 -20.384 1.00 0.00 H new ATOM 0 HA ILE A 76 6.325 -0.623 -20.687 1.00 0.00 H new ATOM 0 HB ILE A 76 8.137 1.086 -18.931 1.00 0.00 H new ATOM 0 HG12 ILE A 76 8.559 -1.271 -18.573 1.00 0.00 H new ATOM 0 HG13 ILE A 76 7.678 -0.621 -17.205 1.00 0.00 H new ATOM 0 HG21 ILE A 76 6.161 1.304 -17.475 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.873 2.006 -19.084 1.00 0.00 H new ATOM 0 HG23 ILE A 76 5.187 0.417 -18.671 1.00 0.00 H new ATOM 0 HD11 ILE A 76 6.813 -2.820 -17.839 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.576 -1.566 -18.092 1.00 0.00 H new ATOM 0 HD13 ILE A 76 6.471 -2.226 -19.481 1.00 0.00 H new ATOM 267 N ILE A 77 7.876 2.176 -21.524 1.00 0.00 N ATOM 268 CA ILE A 77 7.719 3.436 -22.241 1.00 0.00 C ATOM 269 C ILE A 77 7.293 3.197 -23.685 1.00 0.00 C ATOM 270 O ILE A 77 6.333 3.798 -24.168 1.00 0.00 O ATOM 271 CB ILE A 77 9.024 4.255 -22.231 1.00 0.00 C ATOM 272 CG1 ILE A 77 9.472 4.524 -20.793 1.00 0.00 C ATOM 273 CG2 ILE A 77 8.834 5.562 -22.986 1.00 0.00 C ATOM 274 CD1 ILE A 77 10.645 5.473 -20.694 1.00 0.00 C ATOM 0 H ILE A 77 8.827 1.986 -21.207 1.00 0.00 H new ATOM 0 HA ILE A 77 6.942 3.999 -21.724 1.00 0.00 H new ATOM 0 HB ILE A 77 9.802 3.678 -22.732 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.634 4.935 -20.231 1.00 0.00 H new ATOM 0 HG13 ILE A 77 9.739 3.578 -20.321 1.00 0.00 H new ATOM 0 HG21 ILE A 77 9.764 6.130 -22.970 1.00 0.00 H new ATOM 0 HG22 ILE A 77 8.556 5.349 -24.018 1.00 0.00 H new ATOM 0 HG23 ILE A 77 8.045 6.145 -22.511 1.00 0.00 H new ATOM 0 HD11 ILE A 77 10.908 5.618 -19.646 1.00 0.00 H new ATOM 0 HD12 ILE A 77 11.498 5.054 -21.228 1.00 0.00 H new ATOM 0 HD13 ILE A 77 10.375 6.432 -21.136 1.00 0.00 H new ATOM 286 N PHE A 78 8.012 2.314 -24.371 1.00 0.00 N ATOM 287 CA PHE A 78 7.708 1.995 -25.760 1.00 0.00 C ATOM 288 C PHE A 78 6.253 1.562 -25.913 1.00 0.00 C ATOM 289 O PHE A 78 5.542 2.039 -26.797 1.00 0.00 O ATOM 290 CB PHE A 78 8.637 0.888 -26.266 1.00 0.00 C ATOM 291 CG PHE A 78 8.235 0.333 -27.603 1.00 0.00 C ATOM 292 CD1 PHE A 78 8.700 0.907 -28.775 1.00 0.00 C ATOM 293 CD2 PHE A 78 7.391 -0.763 -27.686 1.00 0.00 C ATOM 294 CE1 PHE A 78 8.332 0.398 -30.006 1.00 0.00 C ATOM 295 CE2 PHE A 78 7.021 -1.277 -28.915 1.00 0.00 C ATOM 296 CZ PHE A 78 7.490 -0.695 -30.076 1.00 0.00 C ATOM 0 H PHE A 78 8.809 1.807 -23.987 1.00 0.00 H new ATOM 0 HA PHE A 78 7.866 2.894 -26.356 1.00 0.00 H new ATOM 0 HB2 PHE A 78 9.652 1.279 -26.334 1.00 0.00 H new ATOM 0 HB3 PHE A 78 8.656 0.079 -25.536 1.00 0.00 H new ATOM 0 HD1 PHE A 78 9.358 1.762 -28.726 1.00 0.00 H new ATOM 0 HD2 PHE A 78 7.018 -1.220 -26.781 1.00 0.00 H new ATOM 0 HE1 PHE A 78 8.702 0.854 -30.912 1.00 0.00 H new ATOM 0 HE2 PHE A 78 6.365 -2.134 -28.967 1.00 0.00 H new ATOM 0 HZ PHE A 78 7.199 -1.093 -31.037 1.00 0.00 H new ATOM 306 N GLY A 79 5.817 0.654 -25.045 1.00 0.00 N ATOM 307 CA GLY A 79 4.450 0.171 -25.100 1.00 0.00 C ATOM 308 C GLY A 79 3.435 1.292 -25.004 1.00 0.00 C ATOM 309 O GLY A 79 2.583 1.445 -25.879 1.00 0.00 O ATOM 0 H GLY A 79 6.387 0.244 -24.305 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.298 -0.374 -26.032 1.00 0.00 H new ATOM 0 HA3 GLY A 79 4.285 -0.535 -24.287 1.00 0.00 H new ATOM 313 N VAL A 80 3.524 2.079 -23.936 1.00 0.00 N ATOM 314 CA VAL A 80 2.605 3.192 -23.728 1.00 0.00 C ATOM 315 C VAL A 80 2.702 4.204 -24.865 1.00 0.00 C ATOM 316 O VAL A 80 1.710 4.829 -25.238 1.00 0.00 O ATOM 317 CB VAL A 80 2.884 3.908 -22.393 1.00 0.00 C ATOM 318 CG1 VAL A 80 1.871 5.019 -22.161 1.00 0.00 C ATOM 319 CG2 VAL A 80 2.870 2.913 -21.243 1.00 0.00 C ATOM 0 H VAL A 80 4.223 1.966 -23.202 1.00 0.00 H new ATOM 0 HA VAL A 80 1.599 2.772 -23.703 1.00 0.00 H new ATOM 0 HB VAL A 80 3.875 4.358 -22.442 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.084 5.513 -21.213 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.935 5.745 -22.972 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.867 4.596 -22.132 1.00 0.00 H new ATOM 0 HG21 VAL A 80 3.069 3.436 -20.307 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.893 2.432 -21.190 1.00 0.00 H new ATOM 0 HG23 VAL A 80 3.638 2.157 -21.407 1.00 0.00 H new ATOM 329 N MET A 81 3.904 4.360 -25.410 1.00 0.00 N ATOM 330 CA MET A 81 4.129 5.295 -26.506 1.00 0.00 C ATOM 331 C MET A 81 3.380 4.855 -27.760 1.00 0.00 C ATOM 332 O MET A 81 2.754 5.669 -28.438 1.00 0.00 O ATOM 333 CB MET A 81 5.625 5.412 -26.806 1.00 0.00 C ATOM 334 CG MET A 81 6.380 6.273 -25.806 1.00 0.00 C ATOM 335 SD MET A 81 6.248 8.035 -26.169 1.00 0.00 S ATOM 336 CE MET A 81 7.730 8.655 -25.378 1.00 0.00 C ATOM 0 H MET A 81 4.736 3.852 -25.111 1.00 0.00 H new ATOM 0 HA MET A 81 3.749 6.270 -26.201 1.00 0.00 H new ATOM 0 HB2 MET A 81 6.064 4.414 -26.818 1.00 0.00 H new ATOM 0 HB3 MET A 81 5.755 5.830 -27.804 1.00 0.00 H new ATOM 0 HG2 MET A 81 5.995 6.082 -24.804 1.00 0.00 H new ATOM 0 HG3 MET A 81 7.431 5.984 -25.804 1.00 0.00 H new ATOM 0 HE1 MET A 81 7.791 9.735 -25.515 1.00 0.00 H new ATOM 0 HE2 MET A 81 7.697 8.426 -24.313 1.00 0.00 H new ATOM 0 HE3 MET A 81 8.605 8.183 -25.824 1.00 0.00 H new ATOM 346 N ALA A 82 3.450 3.563 -28.062 1.00 0.00 N ATOM 347 CA ALA A 82 2.777 3.015 -29.233 1.00 0.00 C ATOM 348 C ALA A 82 1.262 3.104 -29.088 1.00 0.00 C ATOM 349 O ALA A 82 0.563 3.518 -30.012 1.00 0.00 O ATOM 350 CB ALA A 82 3.203 1.572 -29.460 1.00 0.00 C ATOM 0 H ALA A 82 3.966 2.876 -27.512 1.00 0.00 H new ATOM 0 HA ALA A 82 3.068 3.609 -30.099 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.692 1.176 -30.338 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.281 1.531 -29.618 1.00 0.00 H new ATOM 0 HB3 ALA A 82 2.941 0.974 -28.587 1.00 0.00 H new ATOM 356 N GLY A 83 0.760 2.712 -27.920 1.00 0.00 N ATOM 357 CA GLY A 83 -0.670 2.756 -27.676 1.00 0.00 C ATOM 358 C GLY A 83 -1.221 4.168 -27.704 1.00 0.00 C ATOM 359 O GLY A 83 -2.174 4.456 -28.428 1.00 0.00 O ATOM 0 H GLY A 83 1.318 2.365 -27.140 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -1.182 2.155 -28.427 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -0.884 2.305 -26.707 1.00 0.00 H new ATOM 363 N VAL A 84 -0.620 5.051 -26.912 1.00 0.00 N ATOM 364 CA VAL A 84 -1.057 6.441 -26.849 1.00 0.00 C ATOM 365 C VAL A 84 -1.092 7.070 -28.237 1.00 0.00 C ATOM 366 O VAL A 84 -2.137 7.539 -28.690 1.00 0.00 O ATOM 367 CB VAL A 84 -0.135 7.277 -25.941 1.00 0.00 C ATOM 368 CG1 VAL A 84 -0.473 8.756 -26.054 1.00 0.00 C ATOM 369 CG2 VAL A 84 -0.239 6.807 -24.498 1.00 0.00 C ATOM 0 H VAL A 84 0.170 4.829 -26.306 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.063 6.438 -26.430 1.00 0.00 H new ATOM 0 HB VAL A 84 0.894 7.137 -26.271 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.188 9.331 -25.406 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.342 9.081 -27.086 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.508 8.917 -25.751 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.419 7.409 -23.871 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.267 6.915 -24.153 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.057 5.760 -24.434 1.00 0.00 H new ATOM 816 N ILE B 73 6.387 -9.848 -22.309 1.00 0.00 N ATOM 817 CA ILE B 73 5.136 -9.648 -23.030 1.00 0.00 C ATOM 818 C ILE B 73 4.124 -8.892 -22.176 1.00 0.00 C ATOM 819 O ILE B 73 3.567 -7.880 -22.602 1.00 0.00 O ATOM 820 CB ILE B 73 4.520 -10.989 -23.470 1.00 0.00 C ATOM 821 CG1 ILE B 73 5.494 -11.752 -24.369 1.00 0.00 C ATOM 822 CG2 ILE B 73 3.200 -10.754 -24.189 1.00 0.00 C ATOM 823 CD1 ILE B 73 5.179 -13.227 -24.487 1.00 0.00 C ATOM 0 HA ILE B 73 5.373 -9.058 -23.916 1.00 0.00 H new ATOM 0 HB ILE B 73 4.326 -11.592 -22.583 1.00 0.00 H new ATOM 0 HG12 ILE B 73 5.483 -11.306 -25.363 1.00 0.00 H new ATOM 0 HG13 ILE B 73 6.505 -11.635 -23.978 1.00 0.00 H new ATOM 0 HG21 ILE B 73 2.776 -11.711 -24.494 1.00 0.00 H new ATOM 0 HG22 ILE B 73 2.506 -10.247 -23.519 1.00 0.00 H new ATOM 0 HG23 ILE B 73 3.371 -10.135 -25.070 1.00 0.00 H new ATOM 0 HD11 ILE B 73 5.910 -13.704 -25.139 1.00 0.00 H new ATOM 0 HD12 ILE B 73 5.218 -13.688 -23.500 1.00 0.00 H new ATOM 0 HD13 ILE B 73 4.181 -13.353 -24.907 1.00 0.00 H new ATOM 835 N THR B 74 3.891 -9.389 -20.965 1.00 0.00 N ATOM 836 CA THR B 74 2.947 -8.761 -20.050 1.00 0.00 C ATOM 837 C THR B 74 3.216 -7.265 -19.923 1.00 0.00 C ATOM 838 O THR B 74 2.298 -6.449 -20.014 1.00 0.00 O ATOM 839 CB THR B 74 3.009 -9.402 -18.650 1.00 0.00 C ATOM 840 OG1 THR B 74 2.732 -10.804 -18.741 1.00 0.00 O ATOM 841 CG2 THR B 74 2.014 -8.743 -17.708 1.00 0.00 C ATOM 0 H THR B 74 4.344 -10.225 -20.596 1.00 0.00 H new ATOM 0 HA THR B 74 1.952 -8.915 -20.468 1.00 0.00 H new ATOM 0 HB THR B 74 4.013 -9.255 -18.252 1.00 0.00 H new ATOM 0 HG1 THR B 74 2.775 -11.205 -17.848 1.00 0.00 H new ATOM 0 HG21 THR B 74 2.076 -9.213 -16.726 1.00 0.00 H new ATOM 0 HG22 THR B 74 2.246 -7.682 -17.618 1.00 0.00 H new ATOM 0 HG23 THR B 74 1.005 -8.862 -18.103 1.00 0.00 H new ATOM 849 N LEU B 75 4.479 -6.912 -19.714 1.00 0.00 N ATOM 850 CA LEU B 75 4.869 -5.513 -19.576 1.00 0.00 C ATOM 851 C LEU B 75 4.436 -4.704 -20.794 1.00 0.00 C ATOM 852 O LEU B 75 3.835 -3.637 -20.661 1.00 0.00 O ATOM 853 CB LEU B 75 6.383 -5.401 -19.388 1.00 0.00 C ATOM 854 CG LEU B 75 6.948 -6.021 -18.109 1.00 0.00 C ATOM 855 CD1 LEU B 75 8.469 -6.018 -18.141 1.00 0.00 C ATOM 856 CD2 LEU B 75 6.437 -5.277 -16.884 1.00 0.00 C ATOM 0 H LEU B 75 5.251 -7.575 -19.636 1.00 0.00 H new ATOM 0 HA LEU B 75 4.369 -5.108 -18.697 1.00 0.00 H new ATOM 0 HB2 LEU B 75 6.871 -5.871 -20.242 1.00 0.00 H new ATOM 0 HB3 LEU B 75 6.654 -4.345 -19.407 1.00 0.00 H new ATOM 0 HG LEU B 75 6.608 -7.055 -18.049 1.00 0.00 H new ATOM 0 HD11 LEU B 75 8.853 -6.463 -17.223 1.00 0.00 H new ATOM 0 HD12 LEU B 75 8.816 -6.596 -18.997 1.00 0.00 H new ATOM 0 HD13 LEU B 75 8.829 -4.993 -18.226 1.00 0.00 H new ATOM 0 HD21 LEU B 75 6.849 -5.732 -15.984 1.00 0.00 H new ATOM 0 HD22 LEU B 75 6.746 -4.233 -16.937 1.00 0.00 H new ATOM 0 HD23 LEU B 75 5.349 -5.332 -16.853 1.00 0.00 H new ATOM 868 N ILE B 76 4.742 -5.220 -21.980 1.00 0.00 N ATOM 869 CA ILE B 76 4.382 -4.547 -23.221 1.00 0.00 C ATOM 870 C ILE B 76 2.881 -4.280 -23.286 1.00 0.00 C ATOM 871 O ILE B 76 2.451 -3.179 -23.628 1.00 0.00 O ATOM 872 CB ILE B 76 4.799 -5.373 -24.452 1.00 0.00 C ATOM 873 CG1 ILE B 76 6.285 -5.727 -24.375 1.00 0.00 C ATOM 874 CG2 ILE B 76 4.496 -4.608 -25.731 1.00 0.00 C ATOM 875 CD1 ILE B 76 7.197 -4.521 -24.423 1.00 0.00 C ATOM 0 H ILE B 76 5.238 -6.102 -22.107 1.00 0.00 H new ATOM 0 HA ILE B 76 4.919 -3.598 -23.232 1.00 0.00 H new ATOM 0 HB ILE B 76 4.224 -6.299 -24.462 1.00 0.00 H new ATOM 0 HG12 ILE B 76 6.472 -6.277 -23.453 1.00 0.00 H new ATOM 0 HG13 ILE B 76 6.534 -6.394 -25.200 1.00 0.00 H new ATOM 0 HG21 ILE B 76 4.796 -5.205 -26.592 1.00 0.00 H new ATOM 0 HG22 ILE B 76 3.427 -4.402 -25.787 1.00 0.00 H new ATOM 0 HG23 ILE B 76 5.047 -3.668 -25.732 1.00 0.00 H new ATOM 0 HD11 ILE B 76 8.235 -4.847 -24.364 1.00 0.00 H new ATOM 0 HD12 ILE B 76 7.039 -3.982 -25.357 1.00 0.00 H new ATOM 0 HD13 ILE B 76 6.975 -3.863 -23.583 1.00 0.00 H new ATOM 887 N ILE B 77 2.091 -5.296 -22.955 1.00 0.00 N ATOM 888 CA ILE B 77 0.639 -5.171 -22.973 1.00 0.00 C ATOM 889 C ILE B 77 0.162 -4.153 -21.942 1.00 0.00 C ATOM 890 O ILE B 77 -0.620 -3.255 -22.256 1.00 0.00 O ATOM 891 CB ILE B 77 -0.046 -6.522 -22.698 1.00 0.00 C ATOM 892 CG1 ILE B 77 0.389 -7.559 -23.735 1.00 0.00 C ATOM 893 CG2 ILE B 77 -1.559 -6.360 -22.705 1.00 0.00 C ATOM 894 CD1 ILE B 77 -0.359 -8.870 -23.629 1.00 0.00 C ATOM 0 H ILE B 77 2.432 -6.214 -22.671 1.00 0.00 H new ATOM 0 HA ILE B 77 0.364 -4.830 -23.971 1.00 0.00 H new ATOM 0 HB ILE B 77 0.258 -6.873 -21.712 1.00 0.00 H new ATOM 0 HG12 ILE B 77 0.243 -7.146 -24.733 1.00 0.00 H new ATOM 0 HG13 ILE B 77 1.456 -7.749 -23.622 1.00 0.00 H new ATOM 0 HG21 ILE B 77 -2.029 -7.324 -22.509 1.00 0.00 H new ATOM 0 HG22 ILE B 77 -1.852 -5.649 -21.932 1.00 0.00 H new ATOM 0 HG23 ILE B 77 -1.881 -5.991 -23.679 1.00 0.00 H new ATOM 0 HD11 ILE B 77 0.001 -9.557 -24.395 1.00 0.00 H new ATOM 0 HD12 ILE B 77 -0.193 -9.305 -22.644 1.00 0.00 H new ATOM 0 HD13 ILE B 77 -1.425 -8.693 -23.772 1.00 0.00 H new ATOM 906 N PHE B 78 0.640 -4.298 -20.711 1.00 0.00 N ATOM 907 CA PHE B 78 0.264 -3.391 -19.633 1.00 0.00 C ATOM 908 C PHE B 78 0.542 -1.941 -20.020 1.00 0.00 C ATOM 909 O PHE B 78 -0.305 -1.067 -19.843 1.00 0.00 O ATOM 910 CB PHE B 78 1.024 -3.743 -18.352 1.00 0.00 C ATOM 911 CG PHE B 78 0.898 -2.704 -17.275 1.00 0.00 C ATOM 912 CD1 PHE B 78 1.805 -1.660 -17.193 1.00 0.00 C ATOM 913 CD2 PHE B 78 -0.127 -2.770 -16.346 1.00 0.00 C ATOM 914 CE1 PHE B 78 1.692 -0.702 -16.203 1.00 0.00 C ATOM 915 CE2 PHE B 78 -0.246 -1.816 -15.354 1.00 0.00 C ATOM 916 CZ PHE B 78 0.665 -0.780 -15.283 1.00 0.00 C ATOM 0 H PHE B 78 1.289 -5.035 -20.435 1.00 0.00 H new ATOM 0 HA PHE B 78 -0.806 -3.503 -19.455 1.00 0.00 H new ATOM 0 HB2 PHE B 78 0.656 -4.696 -17.971 1.00 0.00 H new ATOM 0 HB3 PHE B 78 2.078 -3.881 -18.591 1.00 0.00 H new ATOM 0 HD1 PHE B 78 2.609 -1.594 -17.911 1.00 0.00 H new ATOM 0 HD2 PHE B 78 -0.842 -3.577 -16.398 1.00 0.00 H new ATOM 0 HE1 PHE B 78 2.406 0.107 -16.149 1.00 0.00 H new ATOM 0 HE2 PHE B 78 -1.050 -1.880 -14.635 1.00 0.00 H new ATOM 0 HZ PHE B 78 0.574 -0.032 -14.509 1.00 0.00 H new ATOM 926 N GLY B 79 1.736 -1.695 -20.549 1.00 0.00 N ATOM 927 CA GLY B 79 2.106 -0.350 -20.952 1.00 0.00 C ATOM 928 C GLY B 79 1.136 0.241 -21.956 1.00 0.00 C ATOM 929 O GLY B 79 0.577 1.314 -21.733 1.00 0.00 O ATOM 0 H GLY B 79 2.454 -2.402 -20.706 1.00 0.00 H new ATOM 0 HA2 GLY B 79 2.149 0.291 -20.072 1.00 0.00 H new ATOM 0 HA3 GLY B 79 3.107 -0.366 -21.384 1.00 0.00 H new ATOM 933 N VAL B 80 0.938 -0.460 -23.068 1.00 0.00 N ATOM 934 CA VAL B 80 0.030 0.002 -24.112 1.00 0.00 C ATOM 935 C VAL B 80 -1.392 0.140 -23.580 1.00 0.00 C ATOM 936 O VAL B 80 -2.140 1.022 -24.001 1.00 0.00 O ATOM 937 CB VAL B 80 0.026 -0.957 -25.317 1.00 0.00 C ATOM 938 CG1 VAL B 80 -0.893 -0.435 -26.411 1.00 0.00 C ATOM 939 CG2 VAL B 80 1.438 -1.155 -25.845 1.00 0.00 C ATOM 0 H VAL B 80 1.394 -1.350 -23.269 1.00 0.00 H new ATOM 0 HA VAL B 80 0.390 0.978 -24.437 1.00 0.00 H new ATOM 0 HB VAL B 80 -0.353 -1.925 -24.988 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -0.883 -1.125 -27.254 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -1.908 -0.350 -26.023 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -0.547 0.545 -26.740 1.00 0.00 H new ATOM 0 HG21 VAL B 80 1.416 -1.835 -26.696 1.00 0.00 H new ATOM 0 HG22 VAL B 80 1.847 -0.195 -26.159 1.00 0.00 H new ATOM 0 HG23 VAL B 80 2.064 -1.577 -25.059 1.00 0.00 H new ATOM 949 N MET B 81 -1.760 -0.739 -22.653 1.00 0.00 N ATOM 950 CA MET B 81 -3.093 -0.713 -22.063 1.00 0.00 C ATOM 951 C MET B 81 -3.303 0.560 -21.249 1.00 0.00 C ATOM 952 O MET B 81 -4.346 1.206 -21.349 1.00 0.00 O ATOM 953 CB MET B 81 -3.304 -1.941 -21.175 1.00 0.00 C ATOM 954 CG MET B 81 -3.586 -3.215 -21.955 1.00 0.00 C ATOM 955 SD MET B 81 -5.337 -3.426 -22.331 1.00 0.00 S ATOM 956 CE MET B 81 -5.348 -3.088 -24.090 1.00 0.00 C ATOM 0 H MET B 81 -1.154 -1.477 -22.295 1.00 0.00 H new ATOM 0 HA MET B 81 -3.822 -0.729 -22.873 1.00 0.00 H new ATOM 0 HB2 MET B 81 -2.417 -2.091 -20.560 1.00 0.00 H new ATOM 0 HB3 MET B 81 -4.135 -1.749 -20.496 1.00 0.00 H new ATOM 0 HG2 MET B 81 -3.018 -3.200 -22.885 1.00 0.00 H new ATOM 0 HG3 MET B 81 -3.236 -4.073 -21.381 1.00 0.00 H new ATOM 0 HE1 MET B 81 -6.333 -2.726 -24.385 1.00 0.00 H new ATOM 0 HE2 MET B 81 -4.599 -2.330 -24.320 1.00 0.00 H new ATOM 0 HE3 MET B 81 -5.119 -4.002 -24.638 1.00 0.00 H new ATOM 966 N ALA B 82 -2.307 0.914 -20.444 1.00 0.00 N ATOM 967 CA ALA B 82 -2.382 2.110 -19.615 1.00 0.00 C ATOM 968 C ALA B 82 -2.412 3.371 -20.473 1.00 0.00 C ATOM 969 O ALA B 82 -3.206 4.279 -20.231 1.00 0.00 O ATOM 970 CB ALA B 82 -1.210 2.156 -18.646 1.00 0.00 C ATOM 0 H ALA B 82 -1.438 0.389 -20.348 1.00 0.00 H new ATOM 0 HA ALA B 82 -3.309 2.068 -19.043 1.00 0.00 H new ATOM 0 HB1 ALA B 82 -1.279 3.055 -18.033 1.00 0.00 H new ATOM 0 HB2 ALA B 82 -1.235 1.276 -18.003 1.00 0.00 H new ATOM 0 HB3 ALA B 82 -0.275 2.170 -19.206 1.00 0.00 H new ATOM 976 N GLY B 83 -1.540 3.420 -21.475 1.00 0.00 N ATOM 977 CA GLY B 83 -1.482 4.575 -22.352 1.00 0.00 C ATOM 978 C GLY B 83 -2.755 4.758 -23.154 1.00 0.00 C ATOM 979 O GLY B 83 -3.354 5.834 -23.145 1.00 0.00 O ATOM 0 H GLY B 83 -0.873 2.681 -21.695 1.00 0.00 H new ATOM 0 HA2 GLY B 83 -1.299 5.470 -21.757 1.00 0.00 H new ATOM 0 HA3 GLY B 83 -0.639 4.467 -23.034 1.00 0.00 H new ATOM 983 N VAL B 84 -3.170 3.705 -23.852 1.00 0.00 N ATOM 984 CA VAL B 84 -4.380 3.755 -24.663 1.00 0.00 C ATOM 985 C VAL B 84 -5.574 4.227 -23.842 1.00 0.00 C ATOM 986 O VAL B 84 -6.194 5.243 -24.157 1.00 0.00 O ATOM 987 CB VAL B 84 -4.703 2.378 -25.274 1.00 0.00 C ATOM 988 CG1 VAL B 84 -6.072 2.395 -25.936 1.00 0.00 C ATOM 989 CG2 VAL B 84 -3.626 1.971 -26.268 1.00 0.00 C ATOM 0 H VAL B 84 -2.686 2.807 -23.872 1.00 0.00 H new ATOM 0 HA VAL B 84 -4.192 4.467 -25.467 1.00 0.00 H new ATOM 0 HB VAL B 84 -4.723 1.640 -24.472 1.00 0.00 H new ATOM 0 HG11 VAL B 84 -6.282 1.414 -26.362 1.00 0.00 H new ATOM 0 HG12 VAL B 84 -6.832 2.639 -25.194 1.00 0.00 H new ATOM 0 HG13 VAL B 84 -6.084 3.144 -26.728 1.00 0.00 H new ATOM 0 HG21 VAL B 84 -3.870 0.996 -26.690 1.00 0.00 H new ATOM 0 HG22 VAL B 84 -3.572 2.709 -27.068 1.00 0.00 H new ATOM 0 HG23 VAL B 84 -2.664 1.916 -25.759 1.00 0.00 H new ATOM 999 N ILE B 85 -5.891 3.483 -22.787 1.00 0.00 N ATOM 1000 CA ILE B 85 -7.010 3.827 -21.919 1.00 0.00 C ATOM 1001 C ILE B 85 -6.874 5.249 -21.384 1.00 0.00 C ATOM 1002 O ILE B 85 -7.858 5.981 -21.281 1.00 0.00 O ATOM 1003 CB ILE B 85 -7.121 2.853 -20.731 1.00 0.00 C ATOM 1004 CG1 ILE B 85 -7.906 1.604 -21.140 1.00 0.00 C ATOM 1005 CG2 ILE B 85 -7.784 3.537 -19.545 1.00 0.00 C ATOM 1006 CD1 ILE B 85 -7.095 0.620 -21.954 1.00 0.00 C ATOM 0 H ILE B 85 -5.389 2.639 -22.513 1.00 0.00 H new ATOM 0 HA ILE B 85 -7.913 3.754 -22.525 1.00 0.00 H new ATOM 0 HB ILE B 85 -6.117 2.548 -20.435 1.00 0.00 H new ATOM 0 HG12 ILE B 85 -8.273 1.105 -20.243 1.00 0.00 H new ATOM 0 HG13 ILE B 85 -8.780 1.907 -21.717 1.00 0.00 H new ATOM 0 HG21 ILE B 85 -7.855 2.836 -18.714 1.00 0.00 H new ATOM 0 HG22 ILE B 85 -7.189 4.399 -19.243 1.00 0.00 H new ATOM 0 HG23 ILE B 85 -8.784 3.867 -19.828 1.00 0.00 H new ATOM 0 HD11 ILE B 85 -7.715 -0.240 -22.208 1.00 0.00 H new ATOM 0 HD12 ILE B 85 -6.750 1.102 -22.869 1.00 0.00 H new ATOM 0 HD13 ILE B 85 -6.235 0.288 -21.372 1.00 0.00 H new ATOM 1018 N GLY B 86 -5.647 5.634 -21.047 1.00 0.00 N ATOM 1019 CA GLY B 86 -5.405 6.968 -20.529 1.00 0.00 C ATOM 1020 C GLY B 86 -5.815 8.052 -21.505 1.00 0.00 C ATOM 1021 O GLY B 86 -6.559 8.968 -21.151 1.00 0.00 O ATOM 0 H GLY B 86 -4.817 5.046 -21.123 1.00 0.00 H new ATOM 0 HA2 GLY B 86 -5.954 7.097 -19.596 1.00 0.00 H new ATOM 0 HA3 GLY B 86 -4.346 7.077 -20.294 1.00 0.00 H new ATOM 1025 N THR B 87 -5.328 7.952 -22.738 1.00 0.00 N ATOM 1026 CA THR B 87 -5.646 8.934 -23.767 1.00 0.00 C ATOM 1027 C THR B 87 -7.151 9.036 -23.983 1.00 0.00 C ATOM 1028 O THR B 87 -7.700 10.134 -24.088 1.00 0.00 O ATOM 1029 CB THR B 87 -4.969 8.583 -25.106 1.00 0.00 C ATOM 1030 OG1 THR B 87 -3.626 8.144 -24.876 1.00 0.00 O ATOM 1031 CG2 THR B 87 -4.962 9.784 -26.039 1.00 0.00 C ATOM 0 H THR B 87 -4.712 7.201 -23.048 1.00 0.00 H new ATOM 0 HA THR B 87 -5.266 9.894 -23.417 1.00 0.00 H new ATOM 0 HB THR B 87 -5.537 7.780 -25.576 1.00 0.00 H new ATOM 0 HG1 THR B 87 -3.165 8.789 -24.300 1.00 0.00 H new ATOM 0 HG21 THR B 87 -4.479 9.513 -26.978 1.00 0.00 H new ATOM 0 HG22 THR B 87 -5.987 10.098 -26.236 1.00 0.00 H new ATOM 0 HG23 THR B 87 -4.415 10.603 -25.573 1.00 0.00 H new ATOM 1039 N ILE B 88 -7.815 7.886 -24.048 1.00 0.00 N ATOM 1040 CA ILE B 88 -9.258 7.848 -24.249 1.00 0.00 C ATOM 1041 C ILE B 88 -9.981 8.689 -23.204 1.00 0.00 C ATOM 1042 O ILE B 88 -10.804 9.543 -23.538 1.00 0.00 O ATOM 1043 CB ILE B 88 -9.795 6.406 -24.193 1.00 0.00 C ATOM 1044 CG1 ILE B 88 -9.213 5.576 -25.340 1.00 0.00 C ATOM 1045 CG2 ILE B 88 -11.316 6.405 -24.251 1.00 0.00 C ATOM 1046 CD1 ILE B 88 -9.665 6.035 -26.708 1.00 0.00 C ATOM 0 H ILE B 88 -7.376 6.969 -23.964 1.00 0.00 H new ATOM 0 HA ILE B 88 -9.450 8.261 -25.239 1.00 0.00 H new ATOM 0 HB ILE B 88 -9.486 5.955 -23.250 1.00 0.00 H new ATOM 0 HG12 ILE B 88 -8.125 5.619 -25.293 1.00 0.00 H new ATOM 0 HG13 ILE B 88 -9.497 4.533 -25.203 1.00 0.00 H new ATOM 0 HG21 ILE B 88 -11.681 5.379 -24.211 1.00 0.00 H new ATOM 0 HG22 ILE B 88 -11.713 6.965 -23.404 1.00 0.00 H new ATOM 0 HG23 ILE B 88 -11.645 6.871 -25.180 1.00 0.00 H new ATOM 0 HD11 ILE B 88 -9.214 5.402 -27.472 1.00 0.00 H new ATOM 0 HD12 ILE B 88 -10.751 5.966 -26.775 1.00 0.00 H new ATOM 0 HD13 ILE B 88 -9.357 7.069 -26.865 1.00 0.00 H new ATOM 1058 N LEU B 89 -9.669 8.444 -21.936 1.00 0.00 N ATOM 1059 CA LEU B 89 -10.288 9.181 -20.839 1.00 0.00 C ATOM 1060 C LEU B 89 -10.077 10.683 -21.004 1.00 0.00 C ATOM 1061 O LEU B 89 -11.030 11.462 -20.972 1.00 0.00 O ATOM 1062 CB LEU B 89 -9.714 8.718 -19.499 1.00 0.00 C ATOM 1063 CG LEU B 89 -10.211 7.365 -18.988 1.00 0.00 C ATOM 1064 CD1 LEU B 89 -9.153 6.701 -18.120 1.00 0.00 C ATOM 1065 CD2 LEU B 89 -11.510 7.532 -18.214 1.00 0.00 C ATOM 0 H LEU B 89 -8.991 7.741 -21.642 1.00 0.00 H new ATOM 0 HA LEU B 89 -11.359 8.979 -20.858 1.00 0.00 H new ATOM 0 HB2 LEU B 89 -8.628 8.674 -19.587 1.00 0.00 H new ATOM 0 HB3 LEU B 89 -9.943 9.474 -18.748 1.00 0.00 H new ATOM 0 HG LEU B 89 -10.403 6.722 -19.847 1.00 0.00 H new ATOM 0 HD11 LEU B 89 -9.524 5.739 -17.765 1.00 0.00 H new ATOM 0 HD12 LEU B 89 -8.247 6.546 -18.705 1.00 0.00 H new ATOM 0 HD13 LEU B 89 -8.929 7.341 -17.266 1.00 0.00 H new ATOM 0 HD21 LEU B 89 -11.849 6.559 -17.858 1.00 0.00 H new ATOM 0 HD22 LEU B 89 -11.344 8.192 -17.363 1.00 0.00 H new ATOM 0 HD23 LEU B 89 -12.269 7.964 -18.866 1.00 0.00 H new ATOM 1077 N LEU B 90 -8.823 11.082 -21.184 1.00 0.00 N ATOM 1078 CA LEU B 90 -8.485 12.491 -21.357 1.00 0.00 C ATOM 1079 C LEU B 90 -9.233 13.088 -22.544 1.00 0.00 C ATOM 1080 O LEU B 90 -9.886 14.125 -22.421 1.00 0.00 O ATOM 1081 CB LEU B 90 -6.977 12.654 -21.555 1.00 0.00 C ATOM 1082 CG LEU B 90 -6.104 12.358 -20.335 1.00 0.00 C ATOM 1083 CD1 LEU B 90 -4.736 11.855 -20.767 1.00 0.00 C ATOM 1084 CD2 LEU B 90 -5.968 13.598 -19.463 1.00 0.00 C ATOM 0 H LEU B 90 -8.023 10.450 -21.214 1.00 0.00 H new ATOM 0 HA LEU B 90 -8.786 13.025 -20.456 1.00 0.00 H new ATOM 0 HB2 LEU B 90 -6.665 11.999 -22.368 1.00 0.00 H new ATOM 0 HB3 LEU B 90 -6.782 13.677 -21.877 1.00 0.00 H new ATOM 0 HG LEU B 90 -6.586 11.577 -19.748 1.00 0.00 H new ATOM 0 HD11 LEU B 90 -4.129 11.650 -19.885 1.00 0.00 H new ATOM 0 HD12 LEU B 90 -4.852 10.941 -21.349 1.00 0.00 H new ATOM 0 HD13 LEU B 90 -4.245 12.614 -21.377 1.00 0.00 H new ATOM 0 HD21 LEU B 90 -5.344 13.369 -18.599 1.00 0.00 H new ATOM 0 HD22 LEU B 90 -5.509 14.400 -20.040 1.00 0.00 H new ATOM 0 HD23 LEU B 90 -6.954 13.914 -19.124 1.00 0.00 H new ATOM 1096 N ILE B 91 -9.136 12.425 -23.692 1.00 0.00 N ATOM 1097 CA ILE B 91 -9.806 12.889 -24.900 1.00 0.00 C ATOM 1098 C ILE B 91 -11.305 13.054 -24.669 1.00 0.00 C ATOM 1099 O ILE B 91 -11.887 14.081 -25.017 1.00 0.00 O ATOM 1100 CB ILE B 91 -9.584 11.919 -26.075 1.00 0.00 C ATOM 1101 CG1 ILE B 91 -8.391 12.372 -26.920 1.00 0.00 C ATOM 1102 CG2 ILE B 91 -10.839 11.824 -26.929 1.00 0.00 C ATOM 1103 CD1 ILE B 91 -7.120 12.557 -26.122 1.00 0.00 C ATOM 0 H ILE B 91 -8.600 11.565 -23.810 1.00 0.00 H new ATOM 0 HA ILE B 91 -9.370 13.856 -25.150 1.00 0.00 H new ATOM 0 HB ILE B 91 -9.366 10.929 -25.673 1.00 0.00 H new ATOM 0 HG12 ILE B 91 -8.213 11.638 -27.706 1.00 0.00 H new ATOM 0 HG13 ILE B 91 -8.641 13.312 -27.412 1.00 0.00 H new ATOM 0 HG21 ILE B 91 -10.666 11.135 -27.755 1.00 0.00 H new ATOM 0 HG22 ILE B 91 -11.667 11.460 -26.320 1.00 0.00 H new ATOM 0 HG23 ILE B 91 -11.085 12.809 -27.324 1.00 0.00 H new ATOM 0 HD11 ILE B 91 -6.317 12.878 -26.786 1.00 0.00 H new ATOM 0 HD12 ILE B 91 -7.280 13.313 -25.353 1.00 0.00 H new ATOM 0 HD13 ILE B 91 -6.845 11.613 -25.651 1.00 0.00 H new ATOM 1115 N SER B 92 -11.922 12.037 -24.077 1.00 0.00 N ATOM 1116 CA SER B 92 -13.353 12.068 -23.800 1.00 0.00 C ATOM 1117 C SER B 92 -13.722 13.301 -22.982 1.00 0.00 C ATOM 1118 O SER B 92 -14.837 13.815 -23.079 1.00 0.00 O ATOM 1119 CB SER B 92 -13.778 10.801 -23.054 1.00 0.00 C ATOM 1120 OG SER B 92 -14.913 11.044 -22.242 1.00 0.00 O ATOM 0 H SER B 92 -11.453 11.181 -23.780 1.00 0.00 H new ATOM 0 HA SER B 92 -13.881 12.114 -24.753 1.00 0.00 H new ATOM 0 HB2 SER B 92 -14.002 10.011 -23.771 1.00 0.00 H new ATOM 0 HB3 SER B 92 -12.954 10.446 -22.436 1.00 0.00 H new ATOM 0 HG SER B 92 -15.165 10.219 -21.777 1.00 0.00 H new ATOM 1126 N TYR B 93 -12.777 13.772 -22.175 1.00 0.00 N ATOM 1127 CA TYR B 93 -13.002 14.943 -21.337 1.00 0.00 C ATOM 1128 C TYR B 93 -13.030 16.217 -22.177 1.00 0.00 C ATOM 1129 O TYR B 93 -13.800 17.137 -21.904 1.00 0.00 O ATOM 1130 CB TYR B 93 -11.912 15.048 -20.268 1.00 0.00 C ATOM 1131 CG TYR B 93 -12.235 16.035 -19.169 1.00 0.00 C ATOM 1132 CD1 TYR B 93 -11.950 17.387 -19.316 1.00 0.00 C ATOM 1133 CD2 TYR B 93 -12.825 15.615 -17.983 1.00 0.00 C ATOM 1134 CE1 TYR B 93 -12.242 18.292 -18.314 1.00 0.00 C ATOM 1135 CE2 TYR B 93 -13.123 16.513 -16.976 1.00 0.00 C ATOM 1136 CZ TYR B 93 -12.830 17.850 -17.146 1.00 0.00 C ATOM 1137 OH TYR B 93 -13.123 18.748 -16.146 1.00 0.00 O ATOM 0 H TYR B 93 -11.848 13.360 -22.084 1.00 0.00 H new ATOM 0 HA TYR B 93 -13.970 14.829 -20.850 1.00 0.00 H new ATOM 0 HB2 TYR B 93 -11.752 14.064 -19.826 1.00 0.00 H new ATOM 0 HB3 TYR B 93 -10.976 15.340 -20.743 1.00 0.00 H new ATOM 0 HD1 TYR B 93 -11.492 17.736 -20.230 1.00 0.00 H new ATOM 0 HD2 TYR B 93 -13.055 14.569 -17.846 1.00 0.00 H new ATOM 0 HE1 TYR B 93 -12.012 19.339 -18.444 1.00 0.00 H new ATOM 0 HE2 TYR B 93 -13.583 16.170 -16.061 1.00 0.00 H new ATOM 0 HH TYR B 93 -13.534 18.276 -15.392 1.00 0.00 H new ATOM 1147 N GLY B 94 -12.184 16.261 -23.201 1.00 0.00 N ATOM 1148 CA GLY B 94 -12.128 17.425 -24.067 1.00 0.00 C ATOM 1149 C GLY B 94 -13.414 17.635 -24.840 1.00 0.00 C ATOM 1150 O GLY B 94 -13.848 18.770 -25.038 1.00 0.00 O ATOM 0 H GLY B 94 -11.537 15.512 -23.447 1.00 0.00 H new ATOM 0 HA2 GLY B 94 -11.920 18.311 -23.467 1.00 0.00 H new ATOM 0 HA3 GLY B 94 -11.301 17.313 -24.768 1.00 0.00 H new ATOM 1154 N ILE B 95 -14.024 16.540 -25.280 1.00 0.00 N ATOM 1155 CA ILE B 95 -15.268 16.610 -26.036 1.00 0.00 C ATOM 1156 C ILE B 95 -16.403 17.160 -25.178 1.00 0.00 C ATOM 1157 O ILE B 95 -17.289 17.855 -25.675 1.00 0.00 O ATOM 1158 CB ILE B 95 -15.675 15.228 -26.581 1.00 0.00 C ATOM 1159 CG1 ILE B 95 -14.576 14.670 -27.487 1.00 0.00 C ATOM 1160 CG2 ILE B 95 -16.993 15.323 -27.334 1.00 0.00 C ATOM 1161 CD1 ILE B 95 -14.716 13.190 -27.766 1.00 0.00 C ATOM 0 H ILE B 95 -13.677 15.593 -25.126 1.00 0.00 H new ATOM 0 HA ILE B 95 -15.090 17.284 -26.874 1.00 0.00 H new ATOM 0 HB ILE B 95 -15.808 14.547 -25.741 1.00 0.00 H new ATOM 0 HG12 ILE B 95 -14.586 15.212 -28.433 1.00 0.00 H new ATOM 0 HG13 ILE B 95 -13.607 14.854 -27.024 1.00 0.00 H new ATOM 0 HG21 ILE B 95 -17.267 14.339 -27.713 1.00 0.00 H new ATOM 0 HG22 ILE B 95 -17.771 15.683 -26.661 1.00 0.00 H new ATOM 0 HG23 ILE B 95 -16.886 16.016 -28.168 1.00 0.00 H new ATOM 0 HD11 ILE B 95 -13.903 12.863 -28.414 1.00 0.00 H new ATOM 0 HD12 ILE B 95 -14.676 12.637 -26.827 1.00 0.00 H new ATOM 0 HD13 ILE B 95 -15.670 13.001 -28.258 1.00 0.00 H new ATOM 1173 N ARG B 96 -16.367 16.846 -23.888 1.00 0.00 N ATOM 1174 CA ARG B 96 -17.392 17.309 -22.960 1.00 0.00 C ATOM 1175 C ARG B 96 -17.207 18.789 -22.639 1.00 0.00 C ATOM 1176 O ARG B 96 -18.172 19.499 -22.357 1.00 0.00 O ATOM 1177 CB ARG B 96 -17.352 16.487 -21.670 1.00 0.00 C ATOM 1178 CG ARG B 96 -18.380 15.368 -21.629 1.00 0.00 C ATOM 1179 CD ARG B 96 -18.554 14.824 -20.219 1.00 0.00 C ATOM 1180 NE ARG B 96 -19.702 13.927 -20.117 1.00 0.00 N ATOM 1181 CZ ARG B 96 -20.038 13.287 -19.002 1.00 0.00 C ATOM 1182 NH1 ARG B 96 -19.318 13.446 -17.900 1.00 0.00 N ATOM 1183 NH2 ARG B 96 -21.096 12.487 -18.988 1.00 0.00 N ATOM 0 H ARG B 96 -15.639 16.273 -23.461 1.00 0.00 H new ATOM 0 HA ARG B 96 -18.363 17.177 -23.436 1.00 0.00 H new ATOM 0 HB2 ARG B 96 -16.356 16.059 -21.553 1.00 0.00 H new ATOM 0 HB3 ARG B 96 -17.516 17.151 -20.821 1.00 0.00 H new ATOM 0 HG2 ARG B 96 -19.337 15.737 -21.999 1.00 0.00 H new ATOM 0 HG3 ARG B 96 -18.070 14.563 -22.295 1.00 0.00 H new ATOM 0 HD2 ARG B 96 -17.650 14.292 -19.922 1.00 0.00 H new ATOM 0 HD3 ARG B 96 -18.679 15.654 -19.523 1.00 0.00 H new ATOM 0 HE ARG B 96 -20.277 13.784 -20.947 1.00 0.00 H new ATOM 0 HH11 ARG B 96 -18.504 14.061 -17.907 1.00 0.00 H new ATOM 0 HH12 ARG B 96 -19.578 12.954 -17.045 1.00 0.00 H new ATOM 0 HH21 ARG B 96 -21.653 12.363 -19.834 1.00 0.00 H new ATOM 0 HH22 ARG B 96 -21.353 11.996 -18.132 1.00 0.00 H new