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 165:sc=-0.00312 (180deg=-0.231) USER MOD Single : B 87 THR OG1 : rot -70:sc= 0.0106 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 -0.605 -18.451 1.00 0.00 N ATOM 197 CA ILE A 73 11.775 0.731 -18.660 1.00 0.00 C ATOM 198 C ILE A 73 11.438 0.964 -20.128 1.00 0.00 C ATOM 199 O ILE A 73 10.318 1.349 -20.467 1.00 0.00 O ATOM 200 CB ILE A 73 12.760 1.819 -18.192 1.00 0.00 C ATOM 201 CG1 ILE A 73 13.219 1.541 -16.759 1.00 0.00 C ATOM 202 CG2 ILE A 73 12.116 3.194 -18.290 1.00 0.00 C ATOM 203 CD1 ILE A 73 14.202 2.562 -16.230 1.00 0.00 C ATOM 0 HA ILE A 73 10.864 0.797 -18.066 1.00 0.00 H new ATOM 0 HB ILE A 73 13.634 1.801 -18.843 1.00 0.00 H new ATOM 0 HG12 ILE A 73 12.347 1.516 -16.105 1.00 0.00 H new ATOM 0 HG13 ILE A 73 13.677 0.553 -16.718 1.00 0.00 H new ATOM 0 HG21 ILE A 73 12.824 3.952 -17.956 1.00 0.00 H new ATOM 0 HG22 ILE A 73 11.835 3.391 -19.324 1.00 0.00 H new ATOM 0 HG23 ILE A 73 11.227 3.225 -17.660 1.00 0.00 H new ATOM 0 HD11 ILE A 73 14.483 2.301 -15.210 1.00 0.00 H new ATOM 0 HD12 ILE A 73 15.091 2.572 -16.860 1.00 0.00 H new ATOM 0 HD13 ILE A 73 13.741 3.550 -16.238 1.00 0.00 H new ATOM 215 N THR A 74 12.414 0.726 -20.999 1.00 0.00 N ATOM 216 CA THR A 74 12.222 0.909 -22.432 1.00 0.00 C ATOM 217 C THR A 74 10.939 0.234 -22.905 1.00 0.00 C ATOM 218 O THR A 74 10.142 0.831 -23.630 1.00 0.00 O ATOM 219 CB THR A 74 13.410 0.347 -23.235 1.00 0.00 C ATOM 220 OG1 THR A 74 14.624 0.986 -22.824 1.00 0.00 O ATOM 221 CG2 THR A 74 13.202 0.554 -24.727 1.00 0.00 C ATOM 0 H THR A 74 13.346 0.406 -20.736 1.00 0.00 H new ATOM 0 HA THR A 74 12.151 1.983 -22.607 1.00 0.00 H new ATOM 0 HB THR A 74 13.478 -0.723 -23.040 1.00 0.00 H new ATOM 0 HG1 THR A 74 15.375 0.622 -23.338 1.00 0.00 H new ATOM 0 HG21 THR A 74 14.054 0.149 -25.273 1.00 0.00 H new ATOM 0 HG22 THR A 74 12.293 0.042 -25.042 1.00 0.00 H new ATOM 0 HG23 THR A 74 13.110 1.620 -24.937 1.00 0.00 H new ATOM 229 N LEU A 75 10.745 -1.013 -22.491 1.00 0.00 N ATOM 230 CA LEU A 75 9.558 -1.770 -22.872 1.00 0.00 C ATOM 231 C LEU A 75 8.288 -1.045 -22.437 1.00 0.00 C ATOM 232 O LEU A 75 7.407 -0.772 -23.253 1.00 0.00 O ATOM 233 CB LEU A 75 9.599 -3.167 -22.251 1.00 0.00 C ATOM 234 CG LEU A 75 10.485 -4.191 -22.962 1.00 0.00 C ATOM 235 CD1 LEU A 75 11.940 -4.009 -22.558 1.00 0.00 C ATOM 236 CD2 LEU A 75 10.017 -5.606 -22.654 1.00 0.00 C ATOM 0 H LEU A 75 11.395 -1.522 -21.891 1.00 0.00 H new ATOM 0 HA LEU A 75 9.549 -1.862 -23.958 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.940 -3.075 -21.220 1.00 0.00 H new ATOM 0 HB3 LEU A 75 8.582 -3.558 -22.217 1.00 0.00 H new ATOM 0 HG LEU A 75 10.405 -4.029 -24.037 1.00 0.00 H new ATOM 0 HD11 LEU A 75 12.556 -4.746 -23.074 1.00 0.00 H new ATOM 0 HD12 LEU A 75 12.270 -3.006 -22.830 1.00 0.00 H new ATOM 0 HD13 LEU A 75 12.038 -4.144 -21.481 1.00 0.00 H new ATOM 0 HD21 LEU A 75 10.659 -6.321 -23.168 1.00 0.00 H new ATOM 0 HD22 LEU A 75 10.068 -5.780 -21.579 1.00 0.00 H new ATOM 0 HD23 LEU A 75 8.989 -5.731 -22.994 1.00 0.00 H new ATOM 248 N ILE A 76 8.201 -0.735 -21.148 1.00 0.00 N ATOM 249 CA ILE A 76 7.041 -0.039 -20.606 1.00 0.00 C ATOM 250 C ILE A 76 6.804 1.282 -21.330 1.00 0.00 C ATOM 251 O ILE A 76 5.668 1.629 -21.655 1.00 0.00 O ATOM 252 CB ILE A 76 7.202 0.236 -19.100 1.00 0.00 C ATOM 253 CG1 ILE A 76 7.386 -1.077 -18.336 1.00 0.00 C ATOM 254 CG2 ILE A 76 5.998 0.999 -18.569 1.00 0.00 C ATOM 255 CD1 ILE A 76 6.171 -1.977 -18.380 1.00 0.00 C ATOM 0 H ILE A 76 8.920 -0.955 -20.459 1.00 0.00 H new ATOM 0 HA ILE A 76 6.182 -0.693 -20.758 1.00 0.00 H new ATOM 0 HB ILE A 76 8.091 0.849 -18.951 1.00 0.00 H new ATOM 0 HG12 ILE A 76 8.240 -1.613 -18.751 1.00 0.00 H new ATOM 0 HG13 ILE A 76 7.625 -0.853 -17.296 1.00 0.00 H new ATOM 0 HG21 ILE A 76 6.127 1.186 -17.503 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.908 1.949 -19.096 1.00 0.00 H new ATOM 0 HG23 ILE A 76 5.095 0.410 -18.727 1.00 0.00 H new ATOM 0 HD11 ILE A 76 6.373 -2.889 -17.818 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.319 -1.460 -17.939 1.00 0.00 H new ATOM 0 HD13 ILE A 76 5.944 -2.232 -19.415 1.00 0.00 H new ATOM 267 N ILE A 77 7.884 2.014 -21.582 1.00 0.00 N ATOM 268 CA ILE A 77 7.795 3.295 -22.271 1.00 0.00 C ATOM 269 C ILE A 77 7.307 3.116 -23.705 1.00 0.00 C ATOM 270 O ILE A 77 6.392 3.806 -24.152 1.00 0.00 O ATOM 271 CB ILE A 77 9.153 4.021 -22.290 1.00 0.00 C ATOM 272 CG1 ILE A 77 9.587 4.373 -20.865 1.00 0.00 C ATOM 273 CG2 ILE A 77 9.073 5.273 -23.150 1.00 0.00 C ATOM 274 CD1 ILE A 77 8.752 5.463 -20.231 1.00 0.00 C ATOM 0 H ILE A 77 8.831 1.741 -21.319 1.00 0.00 H new ATOM 0 HA ILE A 77 7.077 3.900 -21.718 1.00 0.00 H new ATOM 0 HB ILE A 77 9.899 3.354 -22.723 1.00 0.00 H new ATOM 0 HG12 ILE A 77 9.532 3.478 -20.246 1.00 0.00 H new ATOM 0 HG13 ILE A 77 10.631 4.688 -20.879 1.00 0.00 H new ATOM 0 HG21 ILE A 77 10.041 5.775 -23.153 1.00 0.00 H new ATOM 0 HG22 ILE A 77 8.804 4.997 -24.170 1.00 0.00 H new ATOM 0 HG23 ILE A 77 8.317 5.945 -22.744 1.00 0.00 H new ATOM 0 HD11 ILE A 77 9.116 5.660 -19.223 1.00 0.00 H new ATOM 0 HD12 ILE A 77 8.826 6.372 -20.828 1.00 0.00 H new ATOM 0 HD13 ILE A 77 7.711 5.143 -20.185 1.00 0.00 H new ATOM 286 N PHE A 78 7.925 2.182 -24.421 1.00 0.00 N ATOM 287 CA PHE A 78 7.554 1.910 -25.805 1.00 0.00 C ATOM 288 C PHE A 78 6.071 1.564 -25.913 1.00 0.00 C ATOM 289 O PHE A 78 5.362 2.083 -26.773 1.00 0.00 O ATOM 290 CB PHE A 78 8.399 0.765 -26.367 1.00 0.00 C ATOM 291 CG PHE A 78 7.994 0.344 -27.750 1.00 0.00 C ATOM 292 CD1 PHE A 78 8.286 1.142 -28.845 1.00 0.00 C ATOM 293 CD2 PHE A 78 7.322 -0.850 -27.957 1.00 0.00 C ATOM 294 CE1 PHE A 78 7.914 0.757 -30.119 1.00 0.00 C ATOM 295 CE2 PHE A 78 6.948 -1.241 -29.229 1.00 0.00 C ATOM 296 CZ PHE A 78 7.245 -0.436 -30.312 1.00 0.00 C ATOM 0 H PHE A 78 8.685 1.601 -24.066 1.00 0.00 H new ATOM 0 HA PHE A 78 7.742 2.811 -26.389 1.00 0.00 H new ATOM 0 HB2 PHE A 78 9.446 1.069 -26.380 1.00 0.00 H new ATOM 0 HB3 PHE A 78 8.325 -0.093 -25.698 1.00 0.00 H new ATOM 0 HD1 PHE A 78 8.810 2.075 -28.701 1.00 0.00 H new ATOM 0 HD2 PHE A 78 7.088 -1.483 -27.114 1.00 0.00 H new ATOM 0 HE1 PHE A 78 8.146 1.389 -30.964 1.00 0.00 H new ATOM 0 HE2 PHE A 78 6.425 -2.174 -29.376 1.00 0.00 H new ATOM 0 HZ PHE A 78 6.955 -0.739 -31.307 1.00 0.00 H new ATOM 306 N GLY A 79 5.611 0.680 -25.032 1.00 0.00 N ATOM 307 CA GLY A 79 4.216 0.278 -25.045 1.00 0.00 C ATOM 308 C GLY A 79 3.272 1.455 -24.906 1.00 0.00 C ATOM 309 O GLY A 79 2.391 1.656 -25.742 1.00 0.00 O ATOM 0 H GLY A 79 6.179 0.236 -24.310 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.001 -0.248 -25.975 1.00 0.00 H new ATOM 0 HA3 GLY A 79 4.036 -0.426 -24.232 1.00 0.00 H new ATOM 313 N VAL A 80 3.454 2.236 -23.845 1.00 0.00 N ATOM 314 CA VAL A 80 2.611 3.399 -23.598 1.00 0.00 C ATOM 315 C VAL A 80 2.755 4.429 -24.714 1.00 0.00 C ATOM 316 O VAL A 80 1.794 5.108 -25.073 1.00 0.00 O ATOM 317 CB VAL A 80 2.954 4.065 -22.253 1.00 0.00 C ATOM 318 CG1 VAL A 80 2.033 5.248 -21.992 1.00 0.00 C ATOM 319 CG2 VAL A 80 2.867 3.053 -21.120 1.00 0.00 C ATOM 0 H VAL A 80 4.178 2.084 -23.143 1.00 0.00 H new ATOM 0 HA VAL A 80 1.581 3.043 -23.566 1.00 0.00 H new ATOM 0 HB VAL A 80 3.978 4.435 -22.302 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.291 5.706 -21.037 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.149 5.982 -22.789 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.999 4.904 -21.962 1.00 0.00 H new ATOM 0 HG21 VAL A 80 3.113 3.541 -20.177 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.855 2.651 -21.068 1.00 0.00 H new ATOM 0 HG23 VAL A 80 3.571 2.241 -21.303 1.00 0.00 H new ATOM 329 N MET A 81 3.963 4.539 -25.258 1.00 0.00 N ATOM 330 CA MET A 81 4.232 5.485 -26.334 1.00 0.00 C ATOM 331 C MET A 81 3.493 5.085 -27.607 1.00 0.00 C ATOM 332 O MET A 81 2.843 5.913 -28.245 1.00 0.00 O ATOM 333 CB MET A 81 5.736 5.565 -26.607 1.00 0.00 C ATOM 334 CG MET A 81 6.496 6.390 -25.582 1.00 0.00 C ATOM 335 SD MET A 81 6.486 8.153 -25.963 1.00 0.00 S ATOM 336 CE MET A 81 7.771 8.744 -24.865 1.00 0.00 C ATOM 0 H MET A 81 4.770 3.985 -24.971 1.00 0.00 H new ATOM 0 HA MET A 81 3.874 6.466 -26.020 1.00 0.00 H new ATOM 0 HB2 MET A 81 6.148 4.556 -26.627 1.00 0.00 H new ATOM 0 HB3 MET A 81 5.895 5.993 -27.597 1.00 0.00 H new ATOM 0 HG2 MET A 81 6.057 6.233 -24.597 1.00 0.00 H new ATOM 0 HG3 MET A 81 7.527 6.039 -25.531 1.00 0.00 H new ATOM 0 HE1 MET A 81 7.884 9.822 -24.984 1.00 0.00 H new ATOM 0 HE2 MET A 81 7.500 8.520 -23.833 1.00 0.00 H new ATOM 0 HE3 MET A 81 8.712 8.251 -25.108 1.00 0.00 H new ATOM 346 N ALA A 82 3.598 3.811 -27.971 1.00 0.00 N ATOM 347 CA ALA A 82 2.938 3.302 -29.167 1.00 0.00 C ATOM 348 C ALA A 82 1.421 3.354 -29.021 1.00 0.00 C ATOM 349 O ALA A 82 0.713 3.766 -29.939 1.00 0.00 O ATOM 350 CB ALA A 82 3.394 1.879 -29.456 1.00 0.00 C ATOM 0 H ALA A 82 4.134 3.113 -27.455 1.00 0.00 H new ATOM 0 HA ALA A 82 3.218 3.939 -30.006 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.893 1.511 -30.352 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.473 1.867 -29.613 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.143 1.238 -28.611 1.00 0.00 H new ATOM 356 N GLY A 83 0.927 2.932 -27.861 1.00 0.00 N ATOM 357 CA GLY A 83 -0.503 2.939 -27.617 1.00 0.00 C ATOM 358 C GLY A 83 -1.090 4.336 -27.648 1.00 0.00 C ATOM 359 O GLY A 83 -2.071 4.590 -28.348 1.00 0.00 O ATOM 0 H GLY A 83 1.492 2.585 -27.086 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -0.999 2.323 -28.367 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -0.705 2.485 -26.647 1.00 0.00 H new ATOM 363 N VAL A 84 -0.491 5.245 -26.886 1.00 0.00 N ATOM 364 CA VAL A 84 -0.961 6.624 -26.829 1.00 0.00 C ATOM 365 C VAL A 84 -1.038 7.237 -28.222 1.00 0.00 C ATOM 366 O VAL A 84 -2.109 7.642 -28.675 1.00 0.00 O ATOM 367 CB VAL A 84 -0.044 7.493 -25.947 1.00 0.00 C ATOM 368 CG1 VAL A 84 -0.358 8.969 -26.143 1.00 0.00 C ATOM 369 CG2 VAL A 84 -0.182 7.100 -24.485 1.00 0.00 C ATOM 0 H VAL A 84 0.321 5.051 -26.300 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.959 6.600 -26.391 1.00 0.00 H new ATOM 0 HB VAL A 84 0.989 7.322 -26.249 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.299 9.568 -25.512 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.203 9.238 -27.188 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.396 9.160 -25.870 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.473 7.724 -23.877 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.215 7.240 -24.167 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.097 6.054 -24.362 1.00 0.00 H new ATOM 816 N ILE B 73 6.649 -9.663 -22.645 1.00 0.00 N ATOM 817 CA ILE B 73 5.419 -9.437 -23.394 1.00 0.00 C ATOM 818 C ILE B 73 4.377 -8.725 -22.538 1.00 0.00 C ATOM 819 O ILE B 73 3.809 -7.712 -22.946 1.00 0.00 O ATOM 820 CB ILE B 73 4.825 -10.760 -23.912 1.00 0.00 C ATOM 821 CG1 ILE B 73 5.878 -11.545 -24.696 1.00 0.00 C ATOM 822 CG2 ILE B 73 3.604 -10.489 -24.779 1.00 0.00 C ATOM 823 CD1 ILE B 73 6.359 -12.790 -23.982 1.00 0.00 C ATOM 0 HA ILE B 73 5.678 -8.807 -24.245 1.00 0.00 H new ATOM 0 HB ILE B 73 4.514 -11.360 -23.057 1.00 0.00 H new ATOM 0 HG12 ILE B 73 5.463 -11.828 -25.663 1.00 0.00 H new ATOM 0 HG13 ILE B 73 6.731 -10.896 -24.893 1.00 0.00 H new ATOM 0 HG21 ILE B 73 3.195 -11.434 -25.138 1.00 0.00 H new ATOM 0 HG22 ILE B 73 2.849 -9.967 -24.191 1.00 0.00 H new ATOM 0 HG23 ILE B 73 3.892 -9.872 -25.630 1.00 0.00 H new ATOM 0 HD11 ILE B 73 7.104 -13.297 -24.596 1.00 0.00 H new ATOM 0 HD12 ILE B 73 6.804 -12.512 -23.026 1.00 0.00 H new ATOM 0 HD13 ILE B 73 5.516 -13.459 -23.809 1.00 0.00 H new ATOM 835 N THR B 74 4.130 -9.262 -21.347 1.00 0.00 N ATOM 836 CA THR B 74 3.157 -8.678 -20.432 1.00 0.00 C ATOM 837 C THR B 74 3.398 -7.184 -20.254 1.00 0.00 C ATOM 838 O THR B 74 2.472 -6.378 -20.360 1.00 0.00 O ATOM 839 CB THR B 74 3.202 -9.362 -19.053 1.00 0.00 C ATOM 840 OG1 THR B 74 3.036 -10.777 -19.201 1.00 0.00 O ATOM 841 CG2 THR B 74 2.117 -8.812 -18.140 1.00 0.00 C ATOM 0 H THR B 74 4.591 -10.101 -20.994 1.00 0.00 H new ATOM 0 HA THR B 74 2.173 -8.834 -20.875 1.00 0.00 H new ATOM 0 HB THR B 74 4.173 -9.156 -18.602 1.00 0.00 H new ATOM 0 HG1 THR B 74 3.068 -11.204 -18.320 1.00 0.00 H new ATOM 0 HG21 THR B 74 2.169 -9.310 -17.172 1.00 0.00 H new ATOM 0 HG22 THR B 74 2.264 -7.740 -18.005 1.00 0.00 H new ATOM 0 HG23 THR B 74 1.139 -8.990 -18.588 1.00 0.00 H new ATOM 849 N LEU B 75 4.646 -6.818 -19.983 1.00 0.00 N ATOM 850 CA LEU B 75 5.008 -5.418 -19.791 1.00 0.00 C ATOM 851 C LEU B 75 4.608 -4.581 -21.001 1.00 0.00 C ATOM 852 O LEU B 75 3.987 -3.527 -20.862 1.00 0.00 O ATOM 853 CB LEU B 75 6.512 -5.290 -19.542 1.00 0.00 C ATOM 854 CG LEU B 75 7.042 -5.960 -18.274 1.00 0.00 C ATOM 855 CD1 LEU B 75 8.556 -5.838 -18.199 1.00 0.00 C ATOM 856 CD2 LEU B 75 6.394 -5.351 -17.039 1.00 0.00 C ATOM 0 H LEU B 75 5.424 -7.471 -19.891 1.00 0.00 H new ATOM 0 HA LEU B 75 4.468 -5.045 -18.921 1.00 0.00 H new ATOM 0 HB2 LEU B 75 7.039 -5.711 -20.398 1.00 0.00 H new ATOM 0 HB3 LEU B 75 6.764 -4.230 -19.502 1.00 0.00 H new ATOM 0 HG LEU B 75 6.785 -7.019 -18.310 1.00 0.00 H new ATOM 0 HD11 LEU B 75 8.915 -6.320 -17.290 1.00 0.00 H new ATOM 0 HD12 LEU B 75 9.003 -6.321 -19.068 1.00 0.00 H new ATOM 0 HD13 LEU B 75 8.836 -4.785 -18.186 1.00 0.00 H new ATOM 0 HD21 LEU B 75 6.783 -5.840 -16.146 1.00 0.00 H new ATOM 0 HD22 LEU B 75 6.620 -4.286 -16.997 1.00 0.00 H new ATOM 0 HD23 LEU B 75 5.314 -5.491 -17.088 1.00 0.00 H new ATOM 868 N ILE B 76 4.967 -5.058 -22.189 1.00 0.00 N ATOM 869 CA ILE B 76 4.642 -4.355 -23.424 1.00 0.00 C ATOM 870 C ILE B 76 3.141 -4.110 -23.538 1.00 0.00 C ATOM 871 O ILE B 76 2.705 -3.001 -23.851 1.00 0.00 O ATOM 872 CB ILE B 76 5.119 -5.140 -24.660 1.00 0.00 C ATOM 873 CG1 ILE B 76 6.610 -5.460 -24.544 1.00 0.00 C ATOM 874 CG2 ILE B 76 4.838 -4.349 -25.929 1.00 0.00 C ATOM 875 CD1 ILE B 76 7.495 -4.233 -24.560 1.00 0.00 C ATOM 0 H ILE B 76 5.483 -5.928 -22.322 1.00 0.00 H new ATOM 0 HA ILE B 76 5.162 -3.398 -23.389 1.00 0.00 H new ATOM 0 HB ILE B 76 4.569 -6.080 -24.711 1.00 0.00 H new ATOM 0 HG12 ILE B 76 6.784 -6.011 -23.620 1.00 0.00 H new ATOM 0 HG13 ILE B 76 6.897 -6.116 -25.366 1.00 0.00 H new ATOM 0 HG21 ILE B 76 5.180 -4.916 -26.795 1.00 0.00 H new ATOM 0 HG22 ILE B 76 3.767 -4.167 -26.015 1.00 0.00 H new ATOM 0 HG23 ILE B 76 5.365 -3.396 -25.888 1.00 0.00 H new ATOM 0 HD11 ILE B 76 8.539 -4.536 -24.474 1.00 0.00 H new ATOM 0 HD12 ILE B 76 7.350 -3.692 -25.495 1.00 0.00 H new ATOM 0 HD13 ILE B 76 7.235 -3.586 -23.722 1.00 0.00 H new ATOM 887 N ILE B 77 2.356 -5.151 -23.282 1.00 0.00 N ATOM 888 CA ILE B 77 0.904 -5.047 -23.353 1.00 0.00 C ATOM 889 C ILE B 77 0.373 -4.051 -22.328 1.00 0.00 C ATOM 890 O ILE B 77 -0.414 -3.164 -22.658 1.00 0.00 O ATOM 891 CB ILE B 77 0.230 -6.413 -23.123 1.00 0.00 C ATOM 892 CG1 ILE B 77 0.717 -7.428 -24.160 1.00 0.00 C ATOM 893 CG2 ILE B 77 -1.284 -6.273 -23.180 1.00 0.00 C ATOM 894 CD1 ILE B 77 -0.021 -8.747 -24.107 1.00 0.00 C ATOM 0 H ILE B 77 2.701 -6.076 -23.024 1.00 0.00 H new ATOM 0 HA ILE B 77 0.661 -4.696 -24.356 1.00 0.00 H new ATOM 0 HB ILE B 77 0.504 -6.775 -22.132 1.00 0.00 H new ATOM 0 HG12 ILE B 77 0.607 -6.999 -25.156 1.00 0.00 H new ATOM 0 HG13 ILE B 77 1.781 -7.610 -24.007 1.00 0.00 H new ATOM 0 HG21 ILE B 77 -1.746 -7.247 -23.016 1.00 0.00 H new ATOM 0 HG22 ILE B 77 -1.615 -5.579 -22.407 1.00 0.00 H new ATOM 0 HG23 ILE B 77 -1.578 -5.893 -24.158 1.00 0.00 H new ATOM 0 HD11 ILE B 77 0.376 -9.417 -24.869 1.00 0.00 H new ATOM 0 HD12 ILE B 77 0.110 -9.198 -23.123 1.00 0.00 H new ATOM 0 HD13 ILE B 77 -1.082 -8.578 -24.290 1.00 0.00 H new ATOM 906 N PHE B 78 0.809 -4.204 -21.082 1.00 0.00 N ATOM 907 CA PHE B 78 0.378 -3.318 -20.007 1.00 0.00 C ATOM 908 C PHE B 78 0.637 -1.858 -20.369 1.00 0.00 C ATOM 909 O PHE B 78 -0.218 -0.997 -20.172 1.00 0.00 O ATOM 910 CB PHE B 78 1.102 -3.669 -18.706 1.00 0.00 C ATOM 911 CG PHE B 78 0.863 -2.681 -17.601 1.00 0.00 C ATOM 912 CD1 PHE B 78 -0.233 -2.809 -16.763 1.00 0.00 C ATOM 913 CD2 PHE B 78 1.734 -1.622 -17.400 1.00 0.00 C ATOM 914 CE1 PHE B 78 -0.455 -1.901 -15.745 1.00 0.00 C ATOM 915 CE2 PHE B 78 1.517 -0.711 -16.384 1.00 0.00 C ATOM 916 CZ PHE B 78 0.420 -0.850 -15.556 1.00 0.00 C ATOM 0 H PHE B 78 1.460 -4.933 -20.792 1.00 0.00 H new ATOM 0 HA PHE B 78 -0.694 -3.454 -19.865 1.00 0.00 H new ATOM 0 HB2 PHE B 78 0.780 -4.656 -18.375 1.00 0.00 H new ATOM 0 HB3 PHE B 78 2.173 -3.732 -18.901 1.00 0.00 H new ATOM 0 HD1 PHE B 78 -0.922 -3.628 -16.907 1.00 0.00 H new ATOM 0 HD2 PHE B 78 2.593 -1.507 -18.045 1.00 0.00 H new ATOM 0 HE1 PHE B 78 -1.312 -2.014 -15.098 1.00 0.00 H new ATOM 0 HE2 PHE B 78 2.204 0.109 -16.237 1.00 0.00 H new ATOM 0 HZ PHE B 78 0.247 -0.138 -14.763 1.00 0.00 H new ATOM 926 N GLY B 79 1.827 -1.589 -20.899 1.00 0.00 N ATOM 927 CA GLY B 79 2.179 -0.233 -21.279 1.00 0.00 C ATOM 928 C GLY B 79 1.218 0.353 -22.293 1.00 0.00 C ATOM 929 O GLY B 79 0.700 1.454 -22.104 1.00 0.00 O ATOM 0 H GLY B 79 2.552 -2.285 -21.072 1.00 0.00 H new ATOM 0 HA2 GLY B 79 2.194 0.398 -20.390 1.00 0.00 H new ATOM 0 HA3 GLY B 79 3.188 -0.225 -21.692 1.00 0.00 H new ATOM 933 N VAL B 80 0.980 -0.382 -23.375 1.00 0.00 N ATOM 934 CA VAL B 80 0.074 0.072 -24.424 1.00 0.00 C ATOM 935 C VAL B 80 -1.353 0.192 -23.903 1.00 0.00 C ATOM 936 O VAL B 80 -2.097 1.087 -24.304 1.00 0.00 O ATOM 937 CB VAL B 80 0.090 -0.885 -25.631 1.00 0.00 C ATOM 938 CG1 VAL B 80 -0.787 -0.346 -26.751 1.00 0.00 C ATOM 939 CG2 VAL B 80 1.514 -1.105 -26.117 1.00 0.00 C ATOM 0 H VAL B 80 1.402 -1.294 -23.548 1.00 0.00 H new ATOM 0 HA VAL B 80 0.425 1.054 -24.743 1.00 0.00 H new ATOM 0 HB VAL B 80 -0.315 -1.847 -25.316 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -0.763 -1.035 -27.595 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -1.812 -0.245 -26.394 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -0.415 0.628 -27.068 1.00 0.00 H new ATOM 0 HG21 VAL B 80 1.507 -1.784 -26.970 1.00 0.00 H new ATOM 0 HG22 VAL B 80 1.948 -0.151 -26.416 1.00 0.00 H new ATOM 0 HG23 VAL B 80 2.110 -1.539 -25.314 1.00 0.00 H new ATOM 949 N MET B 81 -1.729 -0.714 -23.007 1.00 0.00 N ATOM 950 CA MET B 81 -3.068 -0.708 -22.429 1.00 0.00 C ATOM 951 C MET B 81 -3.281 0.530 -21.564 1.00 0.00 C ATOM 952 O MET B 81 -4.330 1.172 -21.629 1.00 0.00 O ATOM 953 CB MET B 81 -3.294 -1.971 -21.596 1.00 0.00 C ATOM 954 CG MET B 81 -3.585 -3.206 -22.433 1.00 0.00 C ATOM 955 SD MET B 81 -4.069 -4.625 -21.431 1.00 0.00 S ATOM 956 CE MET B 81 -5.730 -4.154 -20.956 1.00 0.00 C ATOM 0 H MET B 81 -1.125 -1.462 -22.665 1.00 0.00 H new ATOM 0 HA MET B 81 -3.789 -0.687 -23.246 1.00 0.00 H new ATOM 0 HB2 MET B 81 -2.411 -2.156 -20.985 1.00 0.00 H new ATOM 0 HB3 MET B 81 -4.125 -1.801 -20.912 1.00 0.00 H new ATOM 0 HG2 MET B 81 -4.380 -2.980 -23.144 1.00 0.00 H new ATOM 0 HG3 MET B 81 -2.700 -3.462 -23.016 1.00 0.00 H new ATOM 0 HE1 MET B 81 -6.257 -5.024 -20.565 1.00 0.00 H new ATOM 0 HE2 MET B 81 -5.684 -3.383 -20.187 1.00 0.00 H new ATOM 0 HE3 MET B 81 -6.262 -3.768 -21.826 1.00 0.00 H new ATOM 966 N ALA B 82 -2.280 0.860 -20.754 1.00 0.00 N ATOM 967 CA ALA B 82 -2.358 2.022 -19.878 1.00 0.00 C ATOM 968 C ALA B 82 -2.401 3.316 -20.684 1.00 0.00 C ATOM 969 O ALA B 82 -3.221 4.195 -20.423 1.00 0.00 O ATOM 970 CB ALA B 82 -1.180 2.037 -18.915 1.00 0.00 C ATOM 0 H ALA B 82 -1.406 0.339 -20.687 1.00 0.00 H new ATOM 0 HA ALA B 82 -3.282 1.952 -19.304 1.00 0.00 H new ATOM 0 HB1 ALA B 82 -1.251 2.910 -18.267 1.00 0.00 H new ATOM 0 HB2 ALA B 82 -1.195 1.132 -18.308 1.00 0.00 H new ATOM 0 HB3 ALA B 82 -0.249 2.079 -19.480 1.00 0.00 H new ATOM 976 N GLY B 83 -1.511 3.426 -21.665 1.00 0.00 N ATOM 977 CA GLY B 83 -1.464 4.617 -22.494 1.00 0.00 C ATOM 978 C GLY B 83 -2.737 4.820 -23.290 1.00 0.00 C ATOM 979 O GLY B 83 -3.348 5.887 -23.237 1.00 0.00 O ATOM 0 H GLY B 83 -0.822 2.712 -21.901 1.00 0.00 H new ATOM 0 HA2 GLY B 83 -1.291 5.489 -21.863 1.00 0.00 H new ATOM 0 HA3 GLY B 83 -0.619 4.546 -23.178 1.00 0.00 H new ATOM 983 N VAL B 84 -3.139 3.793 -24.033 1.00 0.00 N ATOM 984 CA VAL B 84 -4.348 3.863 -24.844 1.00 0.00 C ATOM 985 C VAL B 84 -5.551 4.276 -24.004 1.00 0.00 C ATOM 986 O VAL B 84 -6.200 5.285 -24.283 1.00 0.00 O ATOM 987 CB VAL B 84 -4.648 2.513 -25.523 1.00 0.00 C ATOM 988 CG1 VAL B 84 -6.016 2.542 -26.189 1.00 0.00 C ATOM 989 CG2 VAL B 84 -3.562 2.171 -26.531 1.00 0.00 C ATOM 0 H VAL B 84 -2.644 2.903 -24.090 1.00 0.00 H new ATOM 0 HA VAL B 84 -4.170 4.616 -25.612 1.00 0.00 H new ATOM 0 HB VAL B 84 -4.660 1.736 -24.758 1.00 0.00 H new ATOM 0 HG11 VAL B 84 -6.210 1.580 -26.663 1.00 0.00 H new ATOM 0 HG12 VAL B 84 -6.782 2.738 -25.439 1.00 0.00 H new ATOM 0 HG13 VAL B 84 -6.037 3.329 -26.943 1.00 0.00 H new ATOM 0 HG21 VAL B 84 -3.790 1.214 -27.001 1.00 0.00 H new ATOM 0 HG22 VAL B 84 -3.516 2.948 -27.294 1.00 0.00 H new ATOM 0 HG23 VAL B 84 -2.601 2.105 -26.022 1.00 0.00 H new ATOM 999 N ILE B 85 -5.844 3.489 -22.974 1.00 0.00 N ATOM 1000 CA ILE B 85 -6.969 3.773 -22.091 1.00 0.00 C ATOM 1001 C ILE B 85 -6.872 5.182 -21.515 1.00 0.00 C ATOM 1002 O ILE B 85 -7.874 5.887 -21.401 1.00 0.00 O ATOM 1003 CB ILE B 85 -7.046 2.761 -20.933 1.00 0.00 C ATOM 1004 CG1 ILE B 85 -7.295 1.352 -21.475 1.00 0.00 C ATOM 1005 CG2 ILE B 85 -8.140 3.159 -19.953 1.00 0.00 C ATOM 1006 CD1 ILE B 85 -8.649 1.186 -22.129 1.00 0.00 C ATOM 0 H ILE B 85 -5.318 2.650 -22.730 1.00 0.00 H new ATOM 0 HA ILE B 85 -7.873 3.690 -22.694 1.00 0.00 H new ATOM 0 HB ILE B 85 -6.093 2.763 -20.403 1.00 0.00 H new ATOM 0 HG12 ILE B 85 -6.518 1.108 -22.200 1.00 0.00 H new ATOM 0 HG13 ILE B 85 -7.205 0.636 -20.658 1.00 0.00 H new ATOM 0 HG21 ILE B 85 -8.182 2.434 -19.140 1.00 0.00 H new ATOM 0 HG22 ILE B 85 -7.923 4.147 -19.547 1.00 0.00 H new ATOM 0 HG23 ILE B 85 -9.100 3.182 -20.469 1.00 0.00 H new ATOM 0 HD11 ILE B 85 -8.756 0.163 -22.490 1.00 0.00 H new ATOM 0 HD12 ILE B 85 -9.433 1.398 -21.402 1.00 0.00 H new ATOM 0 HD13 ILE B 85 -8.735 1.877 -22.967 1.00 0.00 H new ATOM 1018 N GLY B 86 -5.658 5.586 -21.153 1.00 0.00 N ATOM 1019 CA GLY B 86 -5.452 6.909 -20.594 1.00 0.00 C ATOM 1020 C GLY B 86 -5.888 8.011 -21.538 1.00 0.00 C ATOM 1021 O GLY B 86 -6.655 8.898 -21.160 1.00 0.00 O ATOM 0 H GLY B 86 -4.813 5.020 -21.237 1.00 0.00 H new ATOM 0 HA2 GLY B 86 -6.006 6.995 -19.659 1.00 0.00 H new ATOM 0 HA3 GLY B 86 -4.397 7.038 -20.353 1.00 0.00 H new ATOM 1025 N THR B 87 -5.397 7.959 -22.773 1.00 0.00 N ATOM 1026 CA THR B 87 -5.737 8.963 -23.774 1.00 0.00 C ATOM 1027 C THR B 87 -7.245 9.039 -23.985 1.00 0.00 C ATOM 1028 O THR B 87 -7.816 10.127 -24.063 1.00 0.00 O ATOM 1029 CB THR B 87 -5.055 8.664 -25.122 1.00 0.00 C ATOM 1030 OG1 THR B 87 -3.724 8.185 -24.903 1.00 0.00 O ATOM 1031 CG2 THR B 87 -5.015 9.909 -25.995 1.00 0.00 C ATOM 0 H THR B 87 -4.763 7.232 -23.104 1.00 0.00 H new ATOM 0 HA THR B 87 -5.377 9.921 -23.398 1.00 0.00 H new ATOM 0 HB THR B 87 -5.635 7.898 -25.636 1.00 0.00 H new ATOM 0 HG1 THR B 87 -3.163 8.917 -24.572 1.00 0.00 H new ATOM 0 HG21 THR B 87 -4.529 9.674 -26.942 1.00 0.00 H new ATOM 0 HG22 THR B 87 -6.032 10.253 -26.185 1.00 0.00 H new ATOM 0 HG23 THR B 87 -4.456 10.693 -25.485 1.00 0.00 H new ATOM 1039 N ILE B 88 -7.884 7.878 -24.076 1.00 0.00 N ATOM 1040 CA ILE B 88 -9.327 7.814 -24.277 1.00 0.00 C ATOM 1041 C ILE B 88 -10.066 8.605 -23.203 1.00 0.00 C ATOM 1042 O ILE B 88 -10.912 9.447 -23.508 1.00 0.00 O ATOM 1043 CB ILE B 88 -9.833 6.360 -24.268 1.00 0.00 C ATOM 1044 CG1 ILE B 88 -9.235 5.582 -25.442 1.00 0.00 C ATOM 1045 CG2 ILE B 88 -11.353 6.327 -24.322 1.00 0.00 C ATOM 1046 CD1 ILE B 88 -9.691 6.085 -26.794 1.00 0.00 C ATOM 0 H ILE B 88 -7.426 6.969 -24.014 1.00 0.00 H new ATOM 0 HA ILE B 88 -9.530 8.254 -25.254 1.00 0.00 H new ATOM 0 HB ILE B 88 -9.512 5.885 -23.341 1.00 0.00 H new ATOM 0 HG12 ILE B 88 -8.148 5.640 -25.390 1.00 0.00 H new ATOM 0 HG13 ILE B 88 -9.504 4.530 -25.345 1.00 0.00 H new ATOM 0 HG21 ILE B 88 -11.695 5.292 -24.315 1.00 0.00 H new ATOM 0 HG22 ILE B 88 -11.759 6.849 -23.456 1.00 0.00 H new ATOM 0 HG23 ILE B 88 -11.695 6.816 -25.234 1.00 0.00 H new ATOM 0 HD11 ILE B 88 -9.228 5.488 -27.580 1.00 0.00 H new ATOM 0 HD12 ILE B 88 -10.775 6.002 -26.866 1.00 0.00 H new ATOM 0 HD13 ILE B 88 -9.399 7.128 -26.912 1.00 0.00 H new ATOM 1058 N LEU B 89 -9.741 8.330 -21.944 1.00 0.00 N ATOM 1059 CA LEU B 89 -10.373 9.016 -20.823 1.00 0.00 C ATOM 1060 C LEU B 89 -10.198 10.527 -20.941 1.00 0.00 C ATOM 1061 O LEU B 89 -11.170 11.281 -20.892 1.00 0.00 O ATOM 1062 CB LEU B 89 -9.783 8.525 -19.500 1.00 0.00 C ATOM 1063 CG LEU B 89 -10.245 7.146 -19.030 1.00 0.00 C ATOM 1064 CD1 LEU B 89 -9.498 6.733 -17.771 1.00 0.00 C ATOM 1065 CD2 LEU B 89 -11.747 7.141 -18.787 1.00 0.00 C ATOM 0 H LEU B 89 -9.043 7.637 -21.674 1.00 0.00 H new ATOM 0 HA LEU B 89 -11.439 8.789 -20.845 1.00 0.00 H new ATOM 0 HB2 LEU B 89 -8.697 8.510 -19.593 1.00 0.00 H new ATOM 0 HB3 LEU B 89 -10.027 9.251 -18.725 1.00 0.00 H new ATOM 0 HG LEU B 89 -10.022 6.422 -19.814 1.00 0.00 H new ATOM 0 HD11 LEU B 89 -9.840 5.749 -17.451 1.00 0.00 H new ATOM 0 HD12 LEU B 89 -8.429 6.696 -17.978 1.00 0.00 H new ATOM 0 HD13 LEU B 89 -9.689 7.458 -16.980 1.00 0.00 H new ATOM 0 HD21 LEU B 89 -12.058 6.151 -18.453 1.00 0.00 H new ATOM 0 HD22 LEU B 89 -11.994 7.877 -18.022 1.00 0.00 H new ATOM 0 HD23 LEU B 89 -12.266 7.392 -19.712 1.00 0.00 H new ATOM 1077 N LEU B 90 -8.953 10.962 -21.100 1.00 0.00 N ATOM 1078 CA LEU B 90 -8.650 12.384 -21.228 1.00 0.00 C ATOM 1079 C LEU B 90 -9.407 12.999 -22.400 1.00 0.00 C ATOM 1080 O LEU B 90 -10.056 14.035 -22.257 1.00 0.00 O ATOM 1081 CB LEU B 90 -7.145 12.590 -21.413 1.00 0.00 C ATOM 1082 CG LEU B 90 -6.260 12.163 -20.241 1.00 0.00 C ATOM 1083 CD1 LEU B 90 -4.816 12.006 -20.692 1.00 0.00 C ATOM 1084 CD2 LEU B 90 -6.359 13.169 -19.104 1.00 0.00 C ATOM 0 H LEU B 90 -8.137 10.351 -21.143 1.00 0.00 H new ATOM 0 HA LEU B 90 -8.969 12.882 -20.312 1.00 0.00 H new ATOM 0 HB2 LEU B 90 -6.830 12.040 -22.300 1.00 0.00 H new ATOM 0 HB3 LEU B 90 -6.965 13.646 -21.612 1.00 0.00 H new ATOM 0 HG LEU B 90 -6.612 11.198 -19.877 1.00 0.00 H new ATOM 0 HD11 LEU B 90 -4.201 11.702 -19.845 1.00 0.00 H new ATOM 0 HD12 LEU B 90 -4.759 11.247 -21.473 1.00 0.00 H new ATOM 0 HD13 LEU B 90 -4.451 12.956 -21.082 1.00 0.00 H new ATOM 0 HD21 LEU B 90 -5.723 12.849 -18.279 1.00 0.00 H new ATOM 0 HD22 LEU B 90 -6.033 14.148 -19.455 1.00 0.00 H new ATOM 0 HD23 LEU B 90 -7.392 13.232 -18.762 1.00 0.00 H new ATOM 1096 N ILE B 91 -9.321 12.352 -23.558 1.00 0.00 N ATOM 1097 CA ILE B 91 -10.000 12.834 -24.754 1.00 0.00 C ATOM 1098 C ILE B 91 -11.491 13.027 -24.498 1.00 0.00 C ATOM 1099 O ILE B 91 -12.060 14.064 -24.840 1.00 0.00 O ATOM 1100 CB ILE B 91 -9.815 11.864 -25.936 1.00 0.00 C ATOM 1101 CG1 ILE B 91 -8.346 11.819 -26.362 1.00 0.00 C ATOM 1102 CG2 ILE B 91 -10.698 12.277 -27.104 1.00 0.00 C ATOM 1103 CD1 ILE B 91 -7.959 10.534 -27.060 1.00 0.00 C ATOM 0 H ILE B 91 -8.788 11.493 -23.693 1.00 0.00 H new ATOM 0 HA ILE B 91 -9.549 13.793 -25.008 1.00 0.00 H new ATOM 0 HB ILE B 91 -10.112 10.865 -25.617 1.00 0.00 H new ATOM 0 HG12 ILE B 91 -8.143 12.659 -27.026 1.00 0.00 H new ATOM 0 HG13 ILE B 91 -7.717 11.949 -25.482 1.00 0.00 H new ATOM 0 HG21 ILE B 91 -10.556 11.582 -27.931 1.00 0.00 H new ATOM 0 HG22 ILE B 91 -11.743 12.262 -26.793 1.00 0.00 H new ATOM 0 HG23 ILE B 91 -10.429 13.283 -27.425 1.00 0.00 H new ATOM 0 HD11 ILE B 91 -6.905 10.572 -27.334 1.00 0.00 H new ATOM 0 HD12 ILE B 91 -8.130 9.691 -26.391 1.00 0.00 H new ATOM 0 HD13 ILE B 91 -8.563 10.412 -27.959 1.00 0.00 H new ATOM 1115 N SER B 92 -12.118 12.023 -23.894 1.00 0.00 N ATOM 1116 CA SER B 92 -13.544 12.082 -23.594 1.00 0.00 C ATOM 1117 C SER B 92 -13.875 13.322 -22.770 1.00 0.00 C ATOM 1118 O SER B 92 -14.982 13.855 -22.847 1.00 0.00 O ATOM 1119 CB SER B 92 -13.980 10.823 -22.841 1.00 0.00 C ATOM 1120 OG SER B 92 -15.303 10.955 -22.351 1.00 0.00 O ATOM 0 H SER B 92 -11.661 11.159 -23.603 1.00 0.00 H new ATOM 0 HA SER B 92 -14.087 12.139 -24.537 1.00 0.00 H new ATOM 0 HB2 SER B 92 -13.919 9.960 -23.503 1.00 0.00 H new ATOM 0 HB3 SER B 92 -13.298 10.637 -22.011 1.00 0.00 H new ATOM 0 HG SER B 92 -15.559 10.137 -21.875 1.00 0.00 H new ATOM 1126 N TYR B 93 -12.907 13.776 -21.982 1.00 0.00 N ATOM 1127 CA TYR B 93 -13.096 14.952 -21.141 1.00 0.00 C ATOM 1128 C TYR B 93 -13.111 16.226 -21.980 1.00 0.00 C ATOM 1129 O TYR B 93 -13.865 17.157 -21.703 1.00 0.00 O ATOM 1130 CB TYR B 93 -11.989 15.035 -20.088 1.00 0.00 C ATOM 1131 CG TYR B 93 -12.350 15.890 -18.895 1.00 0.00 C ATOM 1132 CD1 TYR B 93 -13.439 15.571 -18.092 1.00 0.00 C ATOM 1133 CD2 TYR B 93 -11.605 17.017 -18.571 1.00 0.00 C ATOM 1134 CE1 TYR B 93 -13.774 16.350 -17.001 1.00 0.00 C ATOM 1135 CE2 TYR B 93 -11.931 17.800 -17.481 1.00 0.00 C ATOM 1136 CZ TYR B 93 -13.017 17.463 -16.699 1.00 0.00 C ATOM 1137 OH TYR B 93 -13.346 18.241 -15.613 1.00 0.00 O ATOM 0 H TYR B 93 -11.984 13.348 -21.908 1.00 0.00 H new ATOM 0 HA TYR B 93 -14.059 14.857 -20.640 1.00 0.00 H new ATOM 0 HB2 TYR B 93 -11.750 14.029 -19.744 1.00 0.00 H new ATOM 0 HB3 TYR B 93 -11.088 15.435 -20.552 1.00 0.00 H new ATOM 0 HD1 TYR B 93 -14.033 14.700 -18.325 1.00 0.00 H new ATOM 0 HD2 TYR B 93 -10.756 17.286 -19.182 1.00 0.00 H new ATOM 0 HE1 TYR B 93 -14.624 16.089 -16.388 1.00 0.00 H new ATOM 0 HE2 TYR B 93 -11.339 18.671 -17.242 1.00 0.00 H new ATOM 0 HH TYR B 93 -12.712 18.985 -15.539 1.00 0.00 H new ATOM 1147 N GLY B 94 -12.270 16.258 -23.010 1.00 0.00 N ATOM 1148 CA GLY B 94 -12.202 17.421 -23.876 1.00 0.00 C ATOM 1149 C GLY B 94 -13.493 17.655 -24.635 1.00 0.00 C ATOM 1150 O GLY B 94 -13.895 18.799 -24.850 1.00 0.00 O ATOM 0 H GLY B 94 -11.635 15.500 -23.260 1.00 0.00 H new ATOM 0 HA2 GLY B 94 -11.971 18.302 -23.278 1.00 0.00 H new ATOM 0 HA3 GLY B 94 -11.385 17.294 -24.586 1.00 0.00 H new ATOM 1154 N ILE B 95 -14.143 16.570 -25.043 1.00 0.00 N ATOM 1155 CA ILE B 95 -15.395 16.663 -25.782 1.00 0.00 C ATOM 1156 C ILE B 95 -16.500 17.264 -24.920 1.00 0.00 C ATOM 1157 O ILE B 95 -17.388 17.953 -25.422 1.00 0.00 O ATOM 1158 CB ILE B 95 -15.851 15.284 -26.293 1.00 0.00 C ATOM 1159 CG1 ILE B 95 -14.787 14.677 -27.209 1.00 0.00 C ATOM 1160 CG2 ILE B 95 -17.181 15.403 -27.023 1.00 0.00 C ATOM 1161 CD1 ILE B 95 -14.447 15.547 -28.400 1.00 0.00 C ATOM 0 H ILE B 95 -13.823 15.616 -24.874 1.00 0.00 H new ATOM 0 HA ILE B 95 -15.209 17.315 -26.636 1.00 0.00 H new ATOM 0 HB ILE B 95 -15.986 14.623 -25.437 1.00 0.00 H new ATOM 0 HG12 ILE B 95 -13.881 14.497 -26.630 1.00 0.00 H new ATOM 0 HG13 ILE B 95 -15.136 13.708 -27.565 1.00 0.00 H new ATOM 0 HG21 ILE B 95 -17.490 14.420 -27.378 1.00 0.00 H new ATOM 0 HG22 ILE B 95 -17.936 15.797 -26.342 1.00 0.00 H new ATOM 0 HG23 ILE B 95 -17.071 16.078 -27.872 1.00 0.00 H new ATOM 0 HD11 ILE B 95 -13.686 15.054 -29.005 1.00 0.00 H new ATOM 0 HD12 ILE B 95 -15.342 15.706 -29.001 1.00 0.00 H new ATOM 0 HD13 ILE B 95 -14.068 16.508 -28.052 1.00 0.00 H new ATOM 1173 N ARG B 96 -16.436 17.001 -23.619 1.00 0.00 N ATOM 1174 CA ARG B 96 -17.431 17.516 -22.685 1.00 0.00 C ATOM 1175 C ARG B 96 -17.212 19.004 -22.424 1.00 0.00 C ATOM 1176 O ARG B 96 -18.149 19.730 -22.091 1.00 0.00 O ATOM 1177 CB ARG B 96 -17.374 16.742 -21.367 1.00 0.00 C ATOM 1178 CG ARG B 96 -18.382 15.608 -21.283 1.00 0.00 C ATOM 1179 CD ARG B 96 -18.261 14.851 -19.969 1.00 0.00 C ATOM 1180 NE ARG B 96 -17.221 13.827 -20.021 1.00 0.00 N ATOM 1181 CZ ARG B 96 -16.705 13.248 -18.943 1.00 0.00 C ATOM 1182 NH1 ARG B 96 -17.129 13.592 -17.735 1.00 0.00 N ATOM 1183 NH2 ARG B 96 -15.762 12.324 -19.072 1.00 0.00 N ATOM 0 H ARG B 96 -15.706 16.434 -23.187 1.00 0.00 H new ATOM 0 HA ARG B 96 -18.416 17.384 -23.133 1.00 0.00 H new ATOM 0 HB2 ARG B 96 -16.371 16.336 -21.237 1.00 0.00 H new ATOM 0 HB3 ARG B 96 -17.547 17.433 -20.542 1.00 0.00 H new ATOM 0 HG2 ARG B 96 -19.391 16.009 -21.382 1.00 0.00 H new ATOM 0 HG3 ARG B 96 -18.229 14.921 -22.115 1.00 0.00 H new ATOM 0 HD2 ARG B 96 -18.039 15.553 -19.165 1.00 0.00 H new ATOM 0 HD3 ARG B 96 -19.217 14.385 -19.730 1.00 0.00 H new ATOM 0 HE ARG B 96 -16.872 13.541 -20.936 1.00 0.00 H new ATOM 0 HH11 ARG B 96 -17.853 14.303 -17.632 1.00 0.00 H new ATOM 0 HH12 ARG B 96 -16.731 13.146 -16.909 1.00 0.00 H new ATOM 0 HH21 ARG B 96 -15.433 12.058 -20.000 1.00 0.00 H new ATOM 0 HH22 ARG B 96 -15.366 11.880 -18.243 1.00 0.00 H new