USER MOD reduce.3.24.130724 H: found=0, std=0, add=390, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 392 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 15 THR OG1 : rot 180:sc= -0.021 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 104:sc= 1.09 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0.00658 USER MOD Single : A 164 GLN : amide:sc= 0.174 X(o=0.17,f=0) USER MOD Single : A 175 MET CE :methyl 141:sc= -0.681 (180deg=-2.89!) USER MOD Single : A 179 MET CE :methyl 161:sc=-0.00182 (180deg=-0.361) USER MOD Single : A 180 MET CE :methyl -107:sc= -0.216 (180deg=-2.48!) USER MOD ----------------------------------------------------------------- ATOM 237 N LEU A 14 -1.623 -18.115 -5.557 1.00 0.00 N ATOM 238 CA LEU A 14 -2.073 -17.284 -6.683 1.00 0.00 C ATOM 239 C LEU A 14 -3.144 -16.289 -6.234 1.00 0.00 C ATOM 240 O LEU A 14 -3.031 -15.087 -6.488 1.00 0.00 O ATOM 241 CB LEU A 14 -2.597 -18.153 -7.836 1.00 0.00 C ATOM 242 CG LEU A 14 -2.075 -17.775 -9.223 1.00 0.00 C ATOM 243 CD1 LEU A 14 -0.684 -18.345 -9.444 1.00 0.00 C ATOM 244 CD2 LEU A 14 -3.026 -18.266 -10.301 1.00 0.00 C ATOM 0 HA LEU A 14 -1.212 -16.722 -7.045 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.333 -19.192 -7.636 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.686 -18.097 -7.847 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.015 -16.688 -9.283 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.330 -18.065 -10.436 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.004 -17.948 -8.691 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.719 -19.432 -9.364 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -2.639 -17.988 -11.281 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.116 -19.351 -10.240 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.006 -17.812 -10.156 1.00 0.00 H new ATOM 256 N THR A 15 -4.170 -16.794 -5.545 1.00 0.00 N ATOM 257 CA THR A 15 -5.253 -15.952 -5.038 1.00 0.00 C ATOM 258 C THR A 15 -4.696 -14.849 -4.144 1.00 0.00 C ATOM 259 O THR A 15 -4.997 -13.674 -4.338 1.00 0.00 O ATOM 260 CB THR A 15 -6.259 -16.795 -4.249 1.00 0.00 C ATOM 261 OG1 THR A 15 -5.595 -17.567 -3.263 1.00 0.00 O ATOM 262 CG2 THR A 15 -7.054 -17.747 -5.112 1.00 0.00 C ATOM 0 H THR A 15 -4.272 -17.785 -5.326 1.00 0.00 H new ATOM 0 HA THR A 15 -5.759 -15.497 -5.889 1.00 0.00 H new ATOM 0 HB THR A 15 -6.947 -16.078 -3.800 1.00 0.00 H new ATOM 0 HG1 THR A 15 -6.252 -18.099 -2.767 1.00 0.00 H new ATOM 0 HG21 THR A 15 -7.747 -18.312 -4.488 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.615 -17.182 -5.856 1.00 0.00 H new ATOM 0 HG23 THR A 15 -6.375 -18.435 -5.615 1.00 0.00 H new ATOM 270 N LEU A 16 -3.861 -15.238 -3.178 1.00 0.00 N ATOM 271 CA LEU A 16 -3.242 -14.277 -2.267 1.00 0.00 C ATOM 272 C LEU A 16 -2.367 -13.292 -3.041 1.00 0.00 C ATOM 273 O LEU A 16 -2.367 -12.095 -2.753 1.00 0.00 O ATOM 274 CB LEU A 16 -2.415 -15.001 -1.200 1.00 0.00 C ATOM 275 CG LEU A 16 -3.150 -15.283 0.114 1.00 0.00 C ATOM 276 CD1 LEU A 16 -3.633 -13.988 0.747 1.00 0.00 C ATOM 277 CD2 LEU A 16 -4.315 -16.229 -0.117 1.00 0.00 C ATOM 0 H LEU A 16 -3.599 -16.209 -3.008 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.034 -13.719 -1.769 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.067 -15.948 -1.613 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.530 -14.404 -0.982 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.450 -15.760 0.800 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.152 -14.210 1.679 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.779 -13.343 0.952 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.315 -13.481 0.064 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.824 -16.417 0.828 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -5.014 -15.780 -0.823 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.944 -17.170 -0.523 1.00 0.00 H new ATOM 289 N ILE A 17 -1.642 -13.802 -4.042 1.00 0.00 N ATOM 290 CA ILE A 17 -0.784 -12.965 -4.878 1.00 0.00 C ATOM 291 C ILE A 17 -1.622 -11.923 -5.619 1.00 0.00 C ATOM 292 O ILE A 17 -1.302 -10.734 -5.607 1.00 0.00 O ATOM 293 CB ILE A 17 0.009 -13.811 -5.903 1.00 0.00 C ATOM 294 CG1 ILE A 17 0.926 -14.806 -5.186 1.00 0.00 C ATOM 295 CG2 ILE A 17 0.821 -12.913 -6.825 1.00 0.00 C ATOM 296 CD1 ILE A 17 1.464 -15.893 -6.094 1.00 0.00 C ATOM 0 H ILE A 17 -1.634 -14.791 -4.291 1.00 0.00 H new ATOM 0 HA ILE A 17 -0.072 -12.465 -4.221 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.705 -14.372 -6.507 1.00 0.00 H new ATOM 0 HG12 ILE A 17 1.763 -14.264 -4.745 1.00 0.00 H new ATOM 0 HG13 ILE A 17 0.377 -15.268 -4.365 1.00 0.00 H new ATOM 0 HG21 ILE A 17 1.371 -13.526 -7.538 1.00 0.00 H new ATOM 0 HG22 ILE A 17 0.151 -12.243 -7.364 1.00 0.00 H new ATOM 0 HG23 ILE A 17 1.523 -12.325 -6.234 1.00 0.00 H new ATOM 0 HD11 ILE A 17 2.106 -16.562 -5.520 1.00 0.00 H new ATOM 0 HD12 ILE A 17 0.633 -16.460 -6.515 1.00 0.00 H new ATOM 0 HD13 ILE A 17 2.041 -15.441 -6.901 1.00 0.00 H new ATOM 308 N PHE A 18 -2.707 -12.374 -6.250 1.00 0.00 N ATOM 309 CA PHE A 18 -3.598 -11.473 -6.978 1.00 0.00 C ATOM 310 C PHE A 18 -4.279 -10.493 -6.019 1.00 0.00 C ATOM 311 O PHE A 18 -4.313 -9.288 -6.272 1.00 0.00 O ATOM 312 CB PHE A 18 -4.652 -12.273 -7.751 1.00 0.00 C ATOM 313 CG PHE A 18 -5.176 -11.559 -8.963 1.00 0.00 C ATOM 314 CD1 PHE A 18 -4.411 -11.473 -10.114 1.00 0.00 C ATOM 315 CD2 PHE A 18 -6.431 -10.973 -8.951 1.00 0.00 C ATOM 316 CE1 PHE A 18 -4.888 -10.817 -11.232 1.00 0.00 C ATOM 317 CE2 PHE A 18 -6.913 -10.315 -10.066 1.00 0.00 C ATOM 318 CZ PHE A 18 -6.141 -10.236 -11.209 1.00 0.00 C ATOM 0 H PHE A 18 -2.988 -13.354 -6.271 1.00 0.00 H new ATOM 0 HA PHE A 18 -2.999 -10.902 -7.688 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.220 -13.225 -8.059 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -5.484 -12.501 -7.085 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -3.430 -11.924 -10.138 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -7.039 -11.031 -8.060 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -4.282 -10.758 -12.124 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -7.893 -9.862 -10.044 1.00 0.00 H new ATOM 0 HZ PHE A 18 -6.516 -9.722 -12.082 1.00 0.00 H new ATOM 328 N LEU A 19 -4.809 -11.022 -4.913 1.00 0.00 N ATOM 329 CA LEU A 19 -5.480 -10.199 -3.906 1.00 0.00 C ATOM 330 C LEU A 19 -4.567 -9.072 -3.421 1.00 0.00 C ATOM 331 O LEU A 19 -4.941 -7.898 -3.468 1.00 0.00 O ATOM 332 CB LEU A 19 -5.924 -11.065 -2.719 1.00 0.00 C ATOM 333 CG LEU A 19 -7.402 -11.466 -2.724 1.00 0.00 C ATOM 334 CD1 LEU A 19 -7.546 -12.975 -2.802 1.00 0.00 C ATOM 335 CD2 LEU A 19 -8.102 -10.931 -1.487 1.00 0.00 C ATOM 0 H LEU A 19 -4.786 -12.018 -4.693 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.360 -9.752 -4.368 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.318 -11.971 -2.703 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.713 -10.525 -1.796 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.872 -11.029 -3.605 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.603 -13.240 -2.804 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.079 -13.338 -3.717 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.059 -13.432 -1.940 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -9.151 -11.225 -1.507 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -7.627 -11.340 -0.595 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -8.030 -9.843 -1.470 1.00 0.00 H new ATOM 347 N ILE A 20 -3.365 -9.433 -2.964 1.00 0.00 N ATOM 348 CA ILE A 20 -2.409 -8.437 -2.481 1.00 0.00 C ATOM 349 C ILE A 20 -1.998 -7.477 -3.599 1.00 0.00 C ATOM 350 O ILE A 20 -1.899 -6.272 -3.377 1.00 0.00 O ATOM 351 CB ILE A 20 -1.150 -9.086 -1.859 1.00 0.00 C ATOM 352 CG1 ILE A 20 -0.290 -8.021 -1.174 1.00 0.00 C ATOM 353 CG2 ILE A 20 -0.335 -9.833 -2.905 1.00 0.00 C ATOM 354 CD1 ILE A 20 -0.833 -7.573 0.166 1.00 0.00 C ATOM 0 H ILE A 20 -3.034 -10.397 -2.919 1.00 0.00 H new ATOM 0 HA ILE A 20 -2.918 -7.875 -1.698 1.00 0.00 H new ATOM 0 HB ILE A 20 -1.479 -9.811 -1.114 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.717 -8.413 -1.035 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -0.207 -7.155 -1.831 1.00 0.00 H new ATOM 0 HG21 ILE A 20 0.542 -10.277 -2.434 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -0.946 -10.619 -3.349 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -0.017 -9.139 -3.683 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -0.172 -6.818 0.592 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -1.829 -7.150 0.032 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.890 -8.428 0.840 1.00 0.00 H new ATOM 366 N LEU A 21 -1.772 -8.010 -4.802 1.00 0.00 N ATOM 367 CA LEU A 21 -1.386 -7.185 -5.948 1.00 0.00 C ATOM 368 C LEU A 21 -2.464 -6.143 -6.258 1.00 0.00 C ATOM 369 O LEU A 21 -2.166 -4.955 -6.430 1.00 0.00 O ATOM 370 CB LEU A 21 -1.135 -8.066 -7.177 1.00 0.00 C ATOM 371 CG LEU A 21 0.284 -8.624 -7.293 1.00 0.00 C ATOM 372 CD1 LEU A 21 0.365 -9.646 -8.414 1.00 0.00 C ATOM 373 CD2 LEU A 21 1.278 -7.498 -7.527 1.00 0.00 C ATOM 0 H LEU A 21 -1.849 -9.006 -5.007 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.465 -6.661 -5.694 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.837 -8.900 -7.157 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.355 -7.485 -8.073 1.00 0.00 H new ATOM 0 HG LEU A 21 0.537 -9.121 -6.356 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.382 -10.032 -8.482 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.322 -10.467 -8.208 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.093 -9.173 -9.358 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.283 -7.911 -7.607 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.025 -6.976 -8.450 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.239 -6.799 -6.692 1.00 0.00 H new ATOM 385 N ALA A 22 -3.718 -6.593 -6.320 1.00 0.00 N ATOM 386 CA ALA A 22 -4.838 -5.701 -6.600 1.00 0.00 C ATOM 387 C ALA A 22 -5.041 -4.697 -5.463 1.00 0.00 C ATOM 388 O ALA A 22 -5.122 -3.490 -5.702 1.00 0.00 O ATOM 389 CB ALA A 22 -6.107 -6.511 -6.833 1.00 0.00 C ATOM 0 H ALA A 22 -3.981 -7.569 -6.180 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.609 -5.138 -7.505 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.937 -5.835 -7.041 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.961 -7.179 -7.682 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.332 -7.099 -5.943 1.00 0.00 H new ATOM 395 N SER A 23 -5.106 -5.199 -4.226 1.00 0.00 N ATOM 396 CA SER A 23 -5.286 -4.334 -3.054 1.00 0.00 C ATOM 397 C SER A 23 -4.155 -3.313 -2.953 1.00 0.00 C ATOM 398 O SER A 23 -4.404 -2.115 -2.821 1.00 0.00 O ATOM 399 CB SER A 23 -5.354 -5.166 -1.772 1.00 0.00 C ATOM 400 OG SER A 23 -5.741 -4.359 -0.670 1.00 0.00 O ATOM 0 H SER A 23 -5.037 -6.193 -4.010 1.00 0.00 H new ATOM 0 HA SER A 23 -6.228 -3.799 -3.176 1.00 0.00 H new ATOM 0 HB2 SER A 23 -6.066 -5.982 -1.899 1.00 0.00 H new ATOM 0 HB3 SER A 23 -4.382 -5.619 -1.574 1.00 0.00 H new ATOM 0 HG SER A 23 -5.780 -4.909 0.140 1.00 0.00 H new ATOM 406 N VAL A 24 -2.912 -3.791 -3.038 1.00 0.00 N ATOM 407 CA VAL A 24 -1.745 -2.912 -2.977 1.00 0.00 C ATOM 408 C VAL A 24 -1.829 -1.843 -4.066 1.00 0.00 C ATOM 409 O VAL A 24 -1.603 -0.663 -3.804 1.00 0.00 O ATOM 410 CB VAL A 24 -0.427 -3.708 -3.125 1.00 0.00 C ATOM 411 CG1 VAL A 24 0.738 -2.790 -3.469 1.00 0.00 C ATOM 412 CG2 VAL A 24 -0.130 -4.481 -1.851 1.00 0.00 C ATOM 0 H VAL A 24 -2.689 -4.780 -3.149 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.744 -2.433 -1.998 1.00 0.00 H new ATOM 0 HB VAL A 24 -0.553 -4.414 -3.946 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.650 -3.380 -3.566 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.534 -2.280 -4.410 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.866 -2.052 -2.677 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.800 -5.036 -1.971 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.033 -3.785 -1.018 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -0.944 -5.177 -1.650 1.00 0.00 H new ATOM 422 N THR A 25 -2.175 -2.267 -5.285 1.00 0.00 N ATOM 423 CA THR A 25 -2.311 -1.343 -6.414 1.00 0.00 C ATOM 424 C THR A 25 -3.404 -0.312 -6.132 1.00 0.00 C ATOM 425 O THR A 25 -3.180 0.895 -6.257 1.00 0.00 O ATOM 426 CB THR A 25 -2.633 -2.114 -7.700 1.00 0.00 C ATOM 427 OG1 THR A 25 -1.664 -3.118 -7.941 1.00 0.00 O ATOM 428 CG2 THR A 25 -2.685 -1.236 -8.929 1.00 0.00 C ATOM 0 H THR A 25 -2.366 -3.242 -5.515 1.00 0.00 H new ATOM 0 HA THR A 25 -1.364 -0.820 -6.547 1.00 0.00 H new ATOM 0 HB THR A 25 -3.621 -2.544 -7.534 1.00 0.00 H new ATOM 0 HG1 THR A 25 -2.036 -3.994 -7.709 1.00 0.00 H new ATOM 0 HG21 THR A 25 -2.917 -1.846 -9.802 1.00 0.00 H new ATOM 0 HG22 THR A 25 -3.456 -0.476 -8.801 1.00 0.00 H new ATOM 0 HG23 THR A 25 -1.719 -0.752 -9.071 1.00 0.00 H new ATOM 436 N TRP A 26 -4.582 -0.794 -5.722 1.00 0.00 N ATOM 437 CA TRP A 26 -5.704 0.086 -5.393 1.00 0.00 C ATOM 438 C TRP A 26 -5.283 1.084 -4.315 1.00 0.00 C ATOM 439 O TRP A 26 -5.464 2.297 -4.464 1.00 0.00 O ATOM 440 CB TRP A 26 -6.901 -0.740 -4.908 1.00 0.00 C ATOM 441 CG TRP A 26 -7.820 -1.168 -6.012 1.00 0.00 C ATOM 442 CD1 TRP A 26 -7.616 -2.182 -6.903 1.00 0.00 C ATOM 443 CD2 TRP A 26 -9.090 -0.593 -6.339 1.00 0.00 C ATOM 444 NE1 TRP A 26 -8.684 -2.275 -7.764 1.00 0.00 N ATOM 445 CE2 TRP A 26 -9.600 -1.309 -7.439 1.00 0.00 C ATOM 446 CE3 TRP A 26 -9.845 0.458 -5.810 1.00 0.00 C ATOM 447 CZ2 TRP A 26 -10.830 -1.008 -8.016 1.00 0.00 C ATOM 448 CZ3 TRP A 26 -11.065 0.756 -6.385 1.00 0.00 C ATOM 449 CH2 TRP A 26 -11.548 0.025 -7.477 1.00 0.00 C ATOM 0 H TRP A 26 -4.781 -1.788 -5.611 1.00 0.00 H new ATOM 0 HA TRP A 26 -5.998 0.633 -6.289 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -6.534 -1.625 -4.388 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -7.466 -0.155 -4.182 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -6.743 -2.818 -6.928 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -8.779 -2.952 -8.521 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -9.481 1.027 -4.967 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -11.205 -1.570 -8.859 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 -11.656 1.567 -5.985 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -12.507 0.282 -7.903 1.00 0.00 H new ATOM 460 N LEU A 27 -4.688 0.558 -3.241 1.00 0.00 N ATOM 461 CA LEU A 27 -4.203 1.387 -2.143 1.00 0.00 C ATOM 462 C LEU A 27 -3.212 2.418 -2.672 1.00 0.00 C ATOM 463 O LEU A 27 -3.347 3.611 -2.406 1.00 0.00 O ATOM 464 CB LEU A 27 -3.538 0.514 -1.071 1.00 0.00 C ATOM 465 CG LEU A 27 -4.465 0.052 0.055 1.00 0.00 C ATOM 466 CD1 LEU A 27 -4.159 -1.387 0.439 1.00 0.00 C ATOM 467 CD2 LEU A 27 -4.332 0.966 1.262 1.00 0.00 C ATOM 0 H LEU A 27 -4.532 -0.442 -3.112 1.00 0.00 H new ATOM 0 HA LEU A 27 -5.048 1.906 -1.692 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.111 -0.365 -1.554 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.709 1.071 -0.633 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.494 0.102 -0.302 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.827 -1.700 1.241 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.304 -2.033 -0.427 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.126 -1.461 0.778 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.998 0.623 2.053 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.303 0.948 1.621 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.599 1.984 0.979 1.00 0.00 H new ATOM 479 N LEU A 28 -2.229 1.946 -3.446 1.00 0.00 N ATOM 480 CA LEU A 28 -1.222 2.820 -4.046 1.00 0.00 C ATOM 481 C LEU A 28 -1.902 3.954 -4.810 1.00 0.00 C ATOM 482 O LEU A 28 -1.587 5.127 -4.602 1.00 0.00 O ATOM 483 CB LEU A 28 -0.313 2.015 -4.982 1.00 0.00 C ATOM 484 CG LEU A 28 1.131 2.508 -5.071 1.00 0.00 C ATOM 485 CD1 LEU A 28 2.068 1.538 -4.369 1.00 0.00 C ATOM 486 CD2 LEU A 28 1.543 2.686 -6.521 1.00 0.00 C ATOM 0 H LEU A 28 -2.111 0.958 -3.671 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.610 3.250 -3.253 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.306 0.977 -4.650 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.746 2.027 -5.982 1.00 0.00 H new ATOM 0 HG LEU A 28 1.196 3.475 -4.572 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.092 1.904 -4.442 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.786 1.455 -3.319 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.998 0.558 -4.842 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.574 3.037 -6.566 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.462 1.732 -7.042 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.890 3.417 -6.998 1.00 0.00 H new ATOM 498 N SER A 29 -2.860 3.595 -5.673 1.00 0.00 N ATOM 499 CA SER A 29 -3.613 4.586 -6.445 1.00 0.00 C ATOM 500 C SER A 29 -4.173 5.653 -5.509 1.00 0.00 C ATOM 501 O SER A 29 -3.978 6.851 -5.729 1.00 0.00 O ATOM 502 CB SER A 29 -4.753 3.913 -7.218 1.00 0.00 C ATOM 503 OG SER A 29 -5.168 4.712 -8.315 1.00 0.00 O ATOM 0 H SER A 29 -3.130 2.628 -5.853 1.00 0.00 H new ATOM 0 HA SER A 29 -2.940 5.056 -7.163 1.00 0.00 H new ATOM 0 HB2 SER A 29 -4.426 2.937 -7.578 1.00 0.00 H new ATOM 0 HB3 SER A 29 -5.597 3.740 -6.550 1.00 0.00 H new ATOM 0 HG SER A 29 -5.895 4.260 -8.793 1.00 0.00 H new ATOM 509 N SER A 30 -4.835 5.203 -4.438 1.00 0.00 N ATOM 510 CA SER A 30 -5.388 6.119 -3.440 1.00 0.00 C ATOM 511 C SER A 30 -4.269 6.969 -2.842 1.00 0.00 C ATOM 512 O SER A 30 -4.360 8.196 -2.810 1.00 0.00 O ATOM 513 CB SER A 30 -6.107 5.343 -2.332 1.00 0.00 C ATOM 514 OG SER A 30 -7.369 5.924 -2.038 1.00 0.00 O ATOM 0 H SER A 30 -4.999 4.216 -4.242 1.00 0.00 H new ATOM 0 HA SER A 30 -6.113 6.770 -3.929 1.00 0.00 H new ATOM 0 HB2 SER A 30 -6.243 4.306 -2.639 1.00 0.00 H new ATOM 0 HB3 SER A 30 -5.490 5.331 -1.433 1.00 0.00 H new ATOM 0 HG SER A 30 -7.809 5.410 -1.329 1.00 0.00 H new ATOM 520 N PHE A 31 -3.195 6.305 -2.402 1.00 0.00 N ATOM 521 CA PHE A 31 -2.036 6.993 -1.834 1.00 0.00 C ATOM 522 C PHE A 31 -1.583 8.120 -2.761 1.00 0.00 C ATOM 523 O PHE A 31 -1.349 9.244 -2.317 1.00 0.00 O ATOM 524 CB PHE A 31 -0.883 6.005 -1.611 1.00 0.00 C ATOM 525 CG PHE A 31 -0.929 5.306 -0.280 1.00 0.00 C ATOM 526 CD1 PHE A 31 -0.575 5.973 0.881 1.00 0.00 C ATOM 527 CD2 PHE A 31 -1.322 3.981 -0.192 1.00 0.00 C ATOM 528 CE1 PHE A 31 -0.615 5.332 2.105 1.00 0.00 C ATOM 529 CE2 PHE A 31 -1.364 3.334 1.029 1.00 0.00 C ATOM 530 CZ PHE A 31 -1.010 4.010 2.178 1.00 0.00 C ATOM 0 H PHE A 31 -3.106 5.289 -2.429 1.00 0.00 H new ATOM 0 HA PHE A 31 -2.325 7.419 -0.873 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -0.900 5.257 -2.404 1.00 0.00 H new ATOM 0 HB3 PHE A 31 0.063 6.540 -1.697 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.264 7.006 0.829 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.599 3.446 -1.089 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -0.338 5.864 3.003 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -1.674 2.301 1.083 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.042 3.507 3.133 1.00 0.00 H new ATOM 540 N VAL A 32 -1.487 7.810 -4.056 1.00 0.00 N ATOM 541 CA VAL A 32 -1.085 8.796 -5.061 1.00 0.00 C ATOM 542 C VAL A 32 -2.076 9.964 -5.100 1.00 0.00 C ATOM 543 O VAL A 32 -1.676 11.128 -5.156 1.00 0.00 O ATOM 544 CB VAL A 32 -0.989 8.166 -6.469 1.00 0.00 C ATOM 545 CG1 VAL A 32 -0.523 9.194 -7.488 1.00 0.00 C ATOM 546 CG2 VAL A 32 -0.057 6.962 -6.463 1.00 0.00 C ATOM 0 H VAL A 32 -1.682 6.883 -4.433 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.099 9.162 -4.774 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.985 7.826 -6.754 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -0.462 8.729 -8.472 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.232 10.021 -7.520 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.460 9.569 -7.203 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.006 6.536 -7.465 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.939 7.275 -6.151 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.436 6.212 -5.769 1.00 0.00 H new ATOM 556 N ALA A 33 -3.371 9.638 -5.067 1.00 0.00 N ATOM 557 CA ALA A 33 -4.423 10.655 -5.090 1.00 0.00 C ATOM 558 C ALA A 33 -4.476 11.448 -3.778 1.00 0.00 C ATOM 559 O ALA A 33 -4.672 12.664 -3.791 1.00 0.00 O ATOM 560 CB ALA A 33 -5.771 10.005 -5.373 1.00 0.00 C ATOM 0 H ALA A 33 -3.715 8.679 -5.024 1.00 0.00 H new ATOM 0 HA ALA A 33 -4.189 11.359 -5.888 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -6.548 10.770 -5.388 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -5.737 9.503 -6.340 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.994 9.276 -4.594 1.00 0.00 H new ATOM 566 N TRP A 34 -4.309 10.752 -2.650 1.00 0.00 N ATOM 567 CA TRP A 34 -4.342 11.390 -1.328 1.00 0.00 C ATOM 568 C TRP A 34 -3.289 12.499 -1.212 1.00 0.00 C ATOM 569 O TRP A 34 -2.294 12.513 -1.942 1.00 0.00 O ATOM 570 CB TRP A 34 -4.125 10.347 -0.225 1.00 0.00 C ATOM 571 CG TRP A 34 -5.342 9.520 0.078 1.00 0.00 C ATOM 572 CD1 TRP A 34 -6.183 8.932 -0.824 1.00 0.00 C ATOM 573 CD2 TRP A 34 -5.852 9.185 1.374 1.00 0.00 C ATOM 574 NE1 TRP A 34 -7.175 8.247 -0.170 1.00 0.00 N ATOM 575 CE2 TRP A 34 -6.998 8.390 1.180 1.00 0.00 C ATOM 576 CE3 TRP A 34 -5.450 9.479 2.681 1.00 0.00 C ATOM 577 CZ2 TRP A 34 -7.743 7.886 2.242 1.00 0.00 C ATOM 578 CZ3 TRP A 34 -6.192 8.980 3.734 1.00 0.00 C ATOM 579 CH2 TRP A 34 -7.327 8.191 3.511 1.00 0.00 C ATOM 0 H TRP A 34 -4.149 9.745 -2.624 1.00 0.00 H new ATOM 0 HA TRP A 34 -5.326 11.843 -1.206 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -3.312 9.684 -0.520 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -3.807 10.856 0.685 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -6.081 8.997 -1.897 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -7.923 7.717 -0.617 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -4.575 10.085 2.864 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -8.618 7.276 2.072 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -5.891 9.202 4.747 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -7.885 7.816 4.356 1.00 0.00 H new ATOM 850 N ILE A 160 6.385 14.546 -5.048 1.00 0.00 N ATOM 851 CA ILE A 160 5.733 13.410 -5.709 1.00 0.00 C ATOM 852 C ILE A 160 6.625 12.173 -5.667 1.00 0.00 C ATOM 853 O ILE A 160 6.156 11.071 -5.386 1.00 0.00 O ATOM 854 CB ILE A 160 5.382 13.718 -7.185 1.00 0.00 C ATOM 855 CG1 ILE A 160 4.697 15.082 -7.317 1.00 0.00 C ATOM 856 CG2 ILE A 160 4.490 12.623 -7.755 1.00 0.00 C ATOM 857 CD1 ILE A 160 5.456 16.052 -8.196 1.00 0.00 C ATOM 0 HA ILE A 160 4.809 13.223 -5.162 1.00 0.00 H new ATOM 0 HB ILE A 160 6.311 13.750 -7.753 1.00 0.00 H new ATOM 0 HG12 ILE A 160 3.696 14.940 -7.725 1.00 0.00 H new ATOM 0 HG13 ILE A 160 4.578 15.518 -6.325 1.00 0.00 H new ATOM 0 HG21 ILE A 160 4.251 12.852 -8.793 1.00 0.00 H new ATOM 0 HG22 ILE A 160 5.011 11.667 -7.705 1.00 0.00 H new ATOM 0 HG23 ILE A 160 3.569 12.565 -7.175 1.00 0.00 H new ATOM 0 HD11 ILE A 160 4.915 16.997 -8.246 1.00 0.00 H new ATOM 0 HD12 ILE A 160 6.448 16.223 -7.777 1.00 0.00 H new ATOM 0 HD13 ILE A 160 5.552 15.636 -9.199 1.00 0.00 H new ATOM 869 N VAL A 161 7.919 12.365 -5.932 1.00 0.00 N ATOM 870 CA VAL A 161 8.881 11.264 -5.906 1.00 0.00 C ATOM 871 C VAL A 161 8.865 10.556 -4.549 1.00 0.00 C ATOM 872 O VAL A 161 8.792 9.330 -4.485 1.00 0.00 O ATOM 873 CB VAL A 161 10.319 11.746 -6.222 1.00 0.00 C ATOM 874 CG1 VAL A 161 10.433 12.168 -7.679 1.00 0.00 C ATOM 875 CG2 VAL A 161 10.736 12.888 -5.303 1.00 0.00 C ATOM 0 H VAL A 161 8.323 13.272 -6.167 1.00 0.00 H new ATOM 0 HA VAL A 161 8.578 10.562 -6.682 1.00 0.00 H new ATOM 0 HB VAL A 161 10.996 10.910 -6.046 1.00 0.00 H new ATOM 0 HG11 VAL A 161 11.450 12.503 -7.882 1.00 0.00 H new ATOM 0 HG12 VAL A 161 10.195 11.321 -8.323 1.00 0.00 H new ATOM 0 HG13 VAL A 161 9.736 12.982 -7.878 1.00 0.00 H new ATOM 0 HG21 VAL A 161 11.750 13.203 -5.551 1.00 0.00 H new ATOM 0 HG22 VAL A 161 10.053 13.728 -5.433 1.00 0.00 H new ATOM 0 HG23 VAL A 161 10.704 12.551 -4.267 1.00 0.00 H new ATOM 885 N ALA A 162 8.913 11.336 -3.466 1.00 0.00 N ATOM 886 CA ALA A 162 8.886 10.784 -2.112 1.00 0.00 C ATOM 887 C ALA A 162 7.509 10.203 -1.779 1.00 0.00 C ATOM 888 O ALA A 162 7.400 9.062 -1.327 1.00 0.00 O ATOM 889 CB ALA A 162 9.275 11.856 -1.101 1.00 0.00 C ATOM 0 H ALA A 162 8.971 12.354 -3.502 1.00 0.00 H new ATOM 0 HA ALA A 162 9.611 9.971 -2.060 1.00 0.00 H new ATOM 0 HB1 ALA A 162 9.252 11.434 -0.096 1.00 0.00 H new ATOM 0 HB2 ALA A 162 10.280 12.215 -1.320 1.00 0.00 H new ATOM 0 HB3 ALA A 162 8.572 12.686 -1.162 1.00 0.00 H new ATOM 895 N GLY A 163 6.462 10.999 -2.020 1.00 0.00 N ATOM 896 CA GLY A 163 5.097 10.562 -1.759 1.00 0.00 C ATOM 897 C GLY A 163 4.758 9.275 -2.481 1.00 0.00 C ATOM 898 O GLY A 163 4.155 8.378 -1.901 1.00 0.00 O ATOM 0 H GLY A 163 6.539 11.945 -2.394 1.00 0.00 H new ATOM 0 HA2 GLY A 163 4.962 10.421 -0.687 1.00 0.00 H new ATOM 0 HA3 GLY A 163 4.402 11.343 -2.068 1.00 0.00 H new ATOM 902 N GLN A 164 5.167 9.182 -3.745 1.00 0.00 N ATOM 903 CA GLN A 164 4.930 7.986 -4.549 1.00 0.00 C ATOM 904 C GLN A 164 5.802 6.830 -4.052 1.00 0.00 C ATOM 905 O GLN A 164 5.349 5.682 -3.971 1.00 0.00 O ATOM 906 CB GLN A 164 5.216 8.273 -6.028 1.00 0.00 C ATOM 907 CG GLN A 164 4.731 7.180 -6.970 1.00 0.00 C ATOM 908 CD GLN A 164 5.865 6.357 -7.547 1.00 0.00 C ATOM 909 OE1 GLN A 164 6.400 6.674 -8.607 1.00 0.00 O ATOM 910 NE2 GLN A 164 6.240 5.293 -6.853 1.00 0.00 N ATOM 0 H GLN A 164 5.666 9.924 -4.235 1.00 0.00 H new ATOM 0 HA GLN A 164 3.883 7.700 -4.447 1.00 0.00 H new ATOM 0 HB2 GLN A 164 4.742 9.215 -6.304 1.00 0.00 H new ATOM 0 HB3 GLN A 164 6.290 8.405 -6.162 1.00 0.00 H new ATOM 0 HG2 GLN A 164 4.047 6.522 -6.434 1.00 0.00 H new ATOM 0 HG3 GLN A 164 4.166 7.633 -7.784 1.00 0.00 H new ATOM 0 HE21 GLN A 164 5.770 5.064 -5.977 1.00 0.00 H new ATOM 0 HE22 GLN A 164 6.999 4.703 -7.194 1.00 0.00 H new ATOM 919 N LEU A 165 7.058 7.139 -3.716 1.00 0.00 N ATOM 920 CA LEU A 165 7.988 6.127 -3.220 1.00 0.00 C ATOM 921 C LEU A 165 7.486 5.508 -1.917 1.00 0.00 C ATOM 922 O LEU A 165 7.519 4.293 -1.761 1.00 0.00 O ATOM 923 CB LEU A 165 9.383 6.730 -3.010 1.00 0.00 C ATOM 924 CG LEU A 165 10.478 6.173 -3.923 1.00 0.00 C ATOM 925 CD1 LEU A 165 10.818 4.742 -3.539 1.00 0.00 C ATOM 926 CD2 LEU A 165 10.050 6.245 -5.379 1.00 0.00 C ATOM 0 H LEU A 165 7.450 8.078 -3.779 1.00 0.00 H new ATOM 0 HA LEU A 165 8.053 5.341 -3.972 1.00 0.00 H new ATOM 0 HB2 LEU A 165 9.321 7.808 -3.159 1.00 0.00 H new ATOM 0 HB3 LEU A 165 9.679 6.568 -1.974 1.00 0.00 H new ATOM 0 HG LEU A 165 11.371 6.785 -3.797 1.00 0.00 H new ATOM 0 HD11 LEU A 165 11.598 4.364 -4.199 1.00 0.00 H new ATOM 0 HD12 LEU A 165 11.171 4.716 -2.508 1.00 0.00 H new ATOM 0 HD13 LEU A 165 9.929 4.119 -3.634 1.00 0.00 H new ATOM 0 HD21 LEU A 165 10.842 5.844 -6.011 1.00 0.00 H new ATOM 0 HD22 LEU A 165 9.142 5.659 -5.521 1.00 0.00 H new ATOM 0 HD23 LEU A 165 9.859 7.283 -5.651 1.00 0.00 H new ATOM 938 N ILE A 166 7.026 6.350 -0.986 1.00 0.00 N ATOM 939 CA ILE A 166 6.521 5.883 0.313 1.00 0.00 C ATOM 940 C ILE A 166 5.716 4.576 0.187 1.00 0.00 C ATOM 941 O ILE A 166 6.125 3.542 0.725 1.00 0.00 O ATOM 942 CB ILE A 166 5.661 6.973 1.006 1.00 0.00 C ATOM 943 CG1 ILE A 166 6.559 8.063 1.601 1.00 0.00 C ATOM 944 CG2 ILE A 166 4.775 6.368 2.090 1.00 0.00 C ATOM 945 CD1 ILE A 166 7.420 7.588 2.754 1.00 0.00 C ATOM 0 H ILE A 166 6.992 7.362 -1.107 1.00 0.00 H new ATOM 0 HA ILE A 166 7.395 5.679 0.931 1.00 0.00 H new ATOM 0 HB ILE A 166 5.014 7.421 0.252 1.00 0.00 H new ATOM 0 HG12 ILE A 166 7.205 8.456 0.816 1.00 0.00 H new ATOM 0 HG13 ILE A 166 5.934 8.888 1.943 1.00 0.00 H new ATOM 0 HG21 ILE A 166 4.184 7.155 2.558 1.00 0.00 H new ATOM 0 HG22 ILE A 166 4.108 5.630 1.645 1.00 0.00 H new ATOM 0 HG23 ILE A 166 5.399 5.886 2.843 1.00 0.00 H new ATOM 0 HD11 ILE A 166 8.026 8.416 3.121 1.00 0.00 H new ATOM 0 HD12 ILE A 166 6.782 7.222 3.558 1.00 0.00 H new ATOM 0 HD13 ILE A 166 8.072 6.784 2.414 1.00 0.00 H new ATOM 957 N PRO A 167 4.567 4.594 -0.526 1.00 0.00 N ATOM 958 CA PRO A 167 3.733 3.397 -0.705 1.00 0.00 C ATOM 959 C PRO A 167 4.446 2.296 -1.491 1.00 0.00 C ATOM 960 O PRO A 167 4.280 1.112 -1.191 1.00 0.00 O ATOM 961 CB PRO A 167 2.512 3.913 -1.475 1.00 0.00 C ATOM 962 CG PRO A 167 2.974 5.165 -2.135 1.00 0.00 C ATOM 963 CD PRO A 167 3.995 5.765 -1.211 1.00 0.00 C ATOM 0 HA PRO A 167 3.480 2.937 0.250 1.00 0.00 H new ATOM 0 HB2 PRO A 167 2.171 3.183 -2.209 1.00 0.00 H new ATOM 0 HB3 PRO A 167 1.675 4.106 -0.804 1.00 0.00 H new ATOM 0 HG2 PRO A 167 3.408 4.954 -3.112 1.00 0.00 H new ATOM 0 HG3 PRO A 167 2.143 5.851 -2.297 1.00 0.00 H new ATOM 0 HD2 PRO A 167 4.756 6.321 -1.759 1.00 0.00 H new ATOM 0 HD3 PRO A 167 3.539 6.460 -0.506 1.00 0.00 H new ATOM 971 N TRP A 168 5.252 2.680 -2.486 1.00 0.00 N ATOM 972 CA TRP A 168 5.990 1.698 -3.287 1.00 0.00 C ATOM 973 C TRP A 168 6.936 0.878 -2.401 1.00 0.00 C ATOM 974 O TRP A 168 6.878 -0.356 -2.382 1.00 0.00 O ATOM 975 CB TRP A 168 6.777 2.397 -4.402 1.00 0.00 C ATOM 976 CG TRP A 168 7.563 1.447 -5.255 1.00 0.00 C ATOM 977 CD1 TRP A 168 7.132 0.804 -6.380 1.00 0.00 C ATOM 978 CD2 TRP A 168 8.917 1.025 -5.045 1.00 0.00 C ATOM 979 NE1 TRP A 168 8.134 0.008 -6.882 1.00 0.00 N ATOM 980 CE2 TRP A 168 9.240 0.128 -6.080 1.00 0.00 C ATOM 981 CE3 TRP A 168 9.887 1.320 -4.082 1.00 0.00 C ATOM 982 CZ2 TRP A 168 10.490 -0.476 -6.179 1.00 0.00 C ATOM 983 CZ3 TRP A 168 11.128 0.720 -4.182 1.00 0.00 C ATOM 984 CH2 TRP A 168 11.421 -0.169 -5.223 1.00 0.00 C ATOM 0 H TRP A 168 5.409 3.652 -2.754 1.00 0.00 H new ATOM 0 HA TRP A 168 5.270 1.019 -3.743 1.00 0.00 H new ATOM 0 HB2 TRP A 168 6.084 2.953 -5.033 1.00 0.00 H new ATOM 0 HB3 TRP A 168 7.457 3.124 -3.957 1.00 0.00 H new ATOM 0 HD1 TRP A 168 6.148 0.906 -6.812 1.00 0.00 H new ATOM 0 HE1 TRP A 168 8.066 -0.577 -7.715 1.00 0.00 H new ATOM 0 HE3 TRP A 168 9.670 2.004 -3.275 1.00 0.00 H new ATOM 0 HZ2 TRP A 168 10.718 -1.162 -6.981 1.00 0.00 H new ATOM 0 HZ3 TRP A 168 11.885 0.941 -3.444 1.00 0.00 H new ATOM 0 HH2 TRP A 168 12.400 -0.621 -5.273 1.00 0.00 H new ATOM 995 N LEU A 169 7.793 1.582 -1.656 1.00 0.00 N ATOM 996 CA LEU A 169 8.746 0.947 -0.749 1.00 0.00 C ATOM 997 C LEU A 169 8.022 0.067 0.268 1.00 0.00 C ATOM 998 O LEU A 169 8.483 -1.026 0.584 1.00 0.00 O ATOM 999 CB LEU A 169 9.582 2.012 -0.031 1.00 0.00 C ATOM 1000 CG LEU A 169 10.701 1.468 0.862 1.00 0.00 C ATOM 1001 CD1 LEU A 169 12.020 2.152 0.543 1.00 0.00 C ATOM 1002 CD2 LEU A 169 10.347 1.657 2.328 1.00 0.00 C ATOM 0 H LEU A 169 7.844 2.601 -1.666 1.00 0.00 H new ATOM 0 HA LEU A 169 9.411 0.314 -1.337 1.00 0.00 H new ATOM 0 HB2 LEU A 169 10.023 2.670 -0.779 1.00 0.00 H new ATOM 0 HB3 LEU A 169 8.917 2.623 0.579 1.00 0.00 H new ATOM 0 HG LEU A 169 10.811 0.402 0.665 1.00 0.00 H new ATOM 0 HD11 LEU A 169 12.803 1.752 1.188 1.00 0.00 H new ATOM 0 HD12 LEU A 169 12.281 1.971 -0.500 1.00 0.00 H new ATOM 0 HD13 LEU A 169 11.924 3.225 0.712 1.00 0.00 H new ATOM 0 HD21 LEU A 169 11.152 1.265 2.950 1.00 0.00 H new ATOM 0 HD22 LEU A 169 10.211 2.718 2.536 1.00 0.00 H new ATOM 0 HD23 LEU A 169 9.423 1.123 2.551 1.00 0.00 H new ATOM 1014 N VAL A 170 6.879 0.546 0.767 1.00 0.00 N ATOM 1015 CA VAL A 170 6.084 -0.214 1.735 1.00 0.00 C ATOM 1016 C VAL A 170 5.451 -1.442 1.073 1.00 0.00 C ATOM 1017 O VAL A 170 5.383 -2.519 1.670 1.00 0.00 O ATOM 1018 CB VAL A 170 4.977 0.660 2.368 1.00 0.00 C ATOM 1019 CG1 VAL A 170 4.083 -0.171 3.277 1.00 0.00 C ATOM 1020 CG2 VAL A 170 5.586 1.819 3.142 1.00 0.00 C ATOM 0 H VAL A 170 6.485 1.453 0.518 1.00 0.00 H new ATOM 0 HA VAL A 170 6.761 -0.540 2.524 1.00 0.00 H new ATOM 0 HB VAL A 170 4.365 1.064 1.562 1.00 0.00 H new ATOM 0 HG11 VAL A 170 3.312 0.466 3.710 1.00 0.00 H new ATOM 0 HG12 VAL A 170 3.613 -0.966 2.698 1.00 0.00 H new ATOM 0 HG13 VAL A 170 4.682 -0.609 4.075 1.00 0.00 H new ATOM 0 HG21 VAL A 170 4.791 2.422 3.580 1.00 0.00 H new ATOM 0 HG22 VAL A 170 6.225 1.431 3.935 1.00 0.00 H new ATOM 0 HG23 VAL A 170 6.179 2.436 2.467 1.00 0.00 H new ATOM 1030 N ALA A 171 4.996 -1.275 -0.171 1.00 0.00 N ATOM 1031 CA ALA A 171 4.381 -2.367 -0.920 1.00 0.00 C ATOM 1032 C ALA A 171 5.366 -3.516 -1.133 1.00 0.00 C ATOM 1033 O ALA A 171 5.027 -4.674 -0.893 1.00 0.00 O ATOM 1034 CB ALA A 171 3.857 -1.859 -2.257 1.00 0.00 C ATOM 0 H ALA A 171 5.043 -0.392 -0.679 1.00 0.00 H new ATOM 0 HA ALA A 171 3.544 -2.749 -0.335 1.00 0.00 H new ATOM 0 HB1 ALA A 171 3.401 -2.683 -2.806 1.00 0.00 H new ATOM 0 HB2 ALA A 171 3.113 -1.082 -2.084 1.00 0.00 H new ATOM 0 HB3 ALA A 171 4.682 -1.448 -2.839 1.00 0.00 H new ATOM 1040 N LEU A 172 6.585 -3.187 -1.583 1.00 0.00 N ATOM 1041 CA LEU A 172 7.629 -4.194 -1.832 1.00 0.00 C ATOM 1042 C LEU A 172 7.584 -5.329 -0.798 1.00 0.00 C ATOM 1043 O LEU A 172 7.315 -6.483 -1.152 1.00 0.00 O ATOM 1044 CB LEU A 172 9.017 -3.538 -1.841 1.00 0.00 C ATOM 1045 CG LEU A 172 9.804 -3.695 -3.145 1.00 0.00 C ATOM 1046 CD1 LEU A 172 11.071 -2.857 -3.106 1.00 0.00 C ATOM 1047 CD2 LEU A 172 10.144 -5.156 -3.392 1.00 0.00 C ATOM 0 H LEU A 172 6.874 -2.229 -1.783 1.00 0.00 H new ATOM 0 HA LEU A 172 7.435 -4.630 -2.812 1.00 0.00 H new ATOM 0 HB2 LEU A 172 8.900 -2.475 -1.632 1.00 0.00 H new ATOM 0 HB3 LEU A 172 9.606 -3.960 -1.027 1.00 0.00 H new ATOM 0 HG LEU A 172 9.180 -3.342 -3.966 1.00 0.00 H new ATOM 0 HD11 LEU A 172 11.618 -2.981 -4.041 1.00 0.00 H new ATOM 0 HD12 LEU A 172 10.809 -1.807 -2.975 1.00 0.00 H new ATOM 0 HD13 LEU A 172 11.696 -3.181 -2.274 1.00 0.00 H new ATOM 0 HD21 LEU A 172 10.703 -5.247 -4.323 1.00 0.00 H new ATOM 0 HD22 LEU A 172 10.749 -5.533 -2.567 1.00 0.00 H new ATOM 0 HD23 LEU A 172 9.224 -5.737 -3.463 1.00 0.00 H new ATOM 1059 N PRO A 173 7.827 -5.024 0.498 1.00 0.00 N ATOM 1060 CA PRO A 173 7.790 -6.035 1.558 1.00 0.00 C ATOM 1061 C PRO A 173 6.406 -6.666 1.692 1.00 0.00 C ATOM 1062 O PRO A 173 6.294 -7.876 1.833 1.00 0.00 O ATOM 1063 CB PRO A 173 8.169 -5.262 2.827 1.00 0.00 C ATOM 1064 CG PRO A 173 7.911 -3.832 2.505 1.00 0.00 C ATOM 1065 CD PRO A 173 8.139 -3.686 1.027 1.00 0.00 C ATOM 0 HA PRO A 173 8.465 -6.866 1.354 1.00 0.00 H new ATOM 0 HB2 PRO A 173 7.572 -5.587 3.679 1.00 0.00 H new ATOM 0 HB3 PRO A 173 9.214 -5.424 3.089 1.00 0.00 H new ATOM 0 HG2 PRO A 173 6.892 -3.551 2.771 1.00 0.00 H new ATOM 0 HG3 PRO A 173 8.579 -3.180 3.068 1.00 0.00 H new ATOM 0 HD2 PRO A 173 7.492 -2.922 0.595 1.00 0.00 H new ATOM 0 HD3 PRO A 173 9.166 -3.396 0.806 1.00 0.00 H new ATOM 1073 N ILE A 174 5.352 -5.847 1.625 1.00 0.00 N ATOM 1074 CA ILE A 174 3.977 -6.353 1.713 1.00 0.00 C ATOM 1075 C ILE A 174 3.752 -7.498 0.710 1.00 0.00 C ATOM 1076 O ILE A 174 3.269 -8.579 1.071 1.00 0.00 O ATOM 1077 CB ILE A 174 2.941 -5.212 1.503 1.00 0.00 C ATOM 1078 CG1 ILE A 174 2.130 -4.995 2.782 1.00 0.00 C ATOM 1079 CG2 ILE A 174 2.007 -5.491 0.331 1.00 0.00 C ATOM 1080 CD1 ILE A 174 1.353 -6.217 3.225 1.00 0.00 C ATOM 0 H ILE A 174 5.423 -4.836 1.511 1.00 0.00 H new ATOM 0 HA ILE A 174 3.829 -6.749 2.718 1.00 0.00 H new ATOM 0 HB ILE A 174 3.499 -4.306 1.267 1.00 0.00 H new ATOM 0 HG12 ILE A 174 2.805 -4.695 3.583 1.00 0.00 H new ATOM 0 HG13 ILE A 174 1.435 -4.170 2.625 1.00 0.00 H new ATOM 0 HG21 ILE A 174 1.302 -4.667 0.224 1.00 0.00 H new ATOM 0 HG22 ILE A 174 2.591 -5.590 -0.584 1.00 0.00 H new ATOM 0 HG23 ILE A 174 1.460 -6.416 0.514 1.00 0.00 H new ATOM 0 HD11 ILE A 174 0.803 -5.987 4.138 1.00 0.00 H new ATOM 0 HD12 ILE A 174 0.652 -6.506 2.442 1.00 0.00 H new ATOM 0 HD13 ILE A 174 2.044 -7.038 3.415 1.00 0.00 H new ATOM 1092 N MET A 175 4.130 -7.255 -0.548 1.00 0.00 N ATOM 1093 CA MET A 175 3.998 -8.255 -1.607 1.00 0.00 C ATOM 1094 C MET A 175 4.934 -9.430 -1.336 1.00 0.00 C ATOM 1095 O MET A 175 4.517 -10.593 -1.373 1.00 0.00 O ATOM 1096 CB MET A 175 4.303 -7.631 -2.973 1.00 0.00 C ATOM 1097 CG MET A 175 4.001 -8.551 -4.146 1.00 0.00 C ATOM 1098 SD MET A 175 5.396 -8.713 -5.277 1.00 0.00 S ATOM 1099 CE MET A 175 4.784 -7.822 -6.705 1.00 0.00 C ATOM 0 H MET A 175 4.531 -6.370 -0.857 1.00 0.00 H new ATOM 0 HA MET A 175 2.971 -8.620 -1.619 1.00 0.00 H new ATOM 0 HB2 MET A 175 3.722 -6.715 -3.082 1.00 0.00 H new ATOM 0 HB3 MET A 175 5.355 -7.347 -3.006 1.00 0.00 H new ATOM 0 HG2 MET A 175 3.727 -9.536 -3.769 1.00 0.00 H new ATOM 0 HG3 MET A 175 3.139 -8.167 -4.691 1.00 0.00 H new ATOM 0 HE1 MET A 175 5.595 -7.244 -7.148 1.00 0.00 H new ATOM 0 HE2 MET A 175 4.400 -8.531 -7.439 1.00 0.00 H new ATOM 0 HE3 MET A 175 3.984 -7.148 -6.398 1.00 0.00 H new ATOM 1109 N LEU A 176 6.197 -9.115 -1.035 1.00 0.00 N ATOM 1110 CA LEU A 176 7.190 -10.141 -0.723 1.00 0.00 C ATOM 1111 C LEU A 176 6.671 -11.053 0.389 1.00 0.00 C ATOM 1112 O LEU A 176 6.858 -12.264 0.342 1.00 0.00 O ATOM 1113 CB LEU A 176 8.515 -9.495 -0.300 1.00 0.00 C ATOM 1114 CG LEU A 176 9.596 -9.462 -1.381 1.00 0.00 C ATOM 1115 CD1 LEU A 176 10.536 -8.290 -1.155 1.00 0.00 C ATOM 1116 CD2 LEU A 176 10.374 -10.770 -1.396 1.00 0.00 C ATOM 0 H LEU A 176 6.553 -8.160 -1.001 1.00 0.00 H new ATOM 0 HA LEU A 176 7.366 -10.738 -1.618 1.00 0.00 H new ATOM 0 HB2 LEU A 176 8.316 -8.473 0.024 1.00 0.00 H new ATOM 0 HB3 LEU A 176 8.904 -10.033 0.564 1.00 0.00 H new ATOM 0 HG LEU A 176 9.112 -9.337 -2.349 1.00 0.00 H new ATOM 0 HD11 LEU A 176 11.300 -8.281 -1.933 1.00 0.00 H new ATOM 0 HD12 LEU A 176 9.971 -7.358 -1.190 1.00 0.00 H new ATOM 0 HD13 LEU A 176 11.013 -8.389 -0.180 1.00 0.00 H new ATOM 0 HD21 LEU A 176 11.139 -10.729 -2.171 1.00 0.00 H new ATOM 0 HD22 LEU A 176 10.848 -10.923 -0.426 1.00 0.00 H new ATOM 0 HD23 LEU A 176 9.693 -11.596 -1.601 1.00 0.00 H new ATOM 1128 N ILE A 177 6.005 -10.454 1.377 1.00 0.00 N ATOM 1129 CA ILE A 177 5.437 -11.191 2.501 1.00 0.00 C ATOM 1130 C ILE A 177 4.316 -12.117 2.029 1.00 0.00 C ATOM 1131 O ILE A 177 4.321 -13.307 2.335 1.00 0.00 O ATOM 1132 CB ILE A 177 4.907 -10.215 3.588 1.00 0.00 C ATOM 1133 CG1 ILE A 177 5.973 -9.985 4.661 1.00 0.00 C ATOM 1134 CG2 ILE A 177 3.618 -10.723 4.225 1.00 0.00 C ATOM 1135 CD1 ILE A 177 6.083 -8.543 5.104 1.00 0.00 C ATOM 0 H ILE A 177 5.846 -9.447 1.419 1.00 0.00 H new ATOM 0 HA ILE A 177 6.228 -11.800 2.939 1.00 0.00 H new ATOM 0 HB ILE A 177 4.682 -9.268 3.098 1.00 0.00 H new ATOM 0 HG12 ILE A 177 5.745 -10.606 5.527 1.00 0.00 H new ATOM 0 HG13 ILE A 177 6.939 -10.314 4.278 1.00 0.00 H new ATOM 0 HG21 ILE A 177 3.280 -10.012 4.979 1.00 0.00 H new ATOM 0 HG22 ILE A 177 2.851 -10.830 3.458 1.00 0.00 H new ATOM 0 HG23 ILE A 177 3.800 -11.690 4.693 1.00 0.00 H new ATOM 0 HD11 ILE A 177 6.858 -8.454 5.866 1.00 0.00 H new ATOM 0 HD12 ILE A 177 6.341 -7.918 4.249 1.00 0.00 H new ATOM 0 HD13 ILE A 177 5.129 -8.216 5.517 1.00 0.00 H new ATOM 1147 N ILE A 178 3.366 -11.574 1.264 1.00 0.00 N ATOM 1148 CA ILE A 178 2.257 -12.380 0.747 1.00 0.00 C ATOM 1149 C ILE A 178 2.779 -13.532 -0.117 1.00 0.00 C ATOM 1150 O ILE A 178 2.283 -14.658 -0.032 1.00 0.00 O ATOM 1151 CB ILE A 178 1.261 -11.531 -0.075 1.00 0.00 C ATOM 1152 CG1 ILE A 178 0.591 -10.478 0.815 1.00 0.00 C ATOM 1153 CG2 ILE A 178 0.209 -12.418 -0.729 1.00 0.00 C ATOM 1154 CD1 ILE A 178 -0.139 -11.059 2.008 1.00 0.00 C ATOM 0 H ILE A 178 3.341 -10.591 0.991 1.00 0.00 H new ATOM 0 HA ILE A 178 1.730 -12.784 1.611 1.00 0.00 H new ATOM 0 HB ILE A 178 1.817 -11.020 -0.861 1.00 0.00 H new ATOM 0 HG12 ILE A 178 1.350 -9.780 1.170 1.00 0.00 H new ATOM 0 HG13 ILE A 178 -0.114 -9.904 0.214 1.00 0.00 H new ATOM 0 HG21 ILE A 178 -0.482 -11.800 -1.303 1.00 0.00 H new ATOM 0 HG22 ILE A 178 0.697 -13.131 -1.394 1.00 0.00 H new ATOM 0 HG23 ILE A 178 -0.341 -12.958 0.041 1.00 0.00 H new ATOM 0 HD11 ILE A 178 -0.586 -10.252 2.589 1.00 0.00 H new ATOM 0 HD12 ILE A 178 -0.922 -11.734 1.662 1.00 0.00 H new ATOM 0 HD13 ILE A 178 0.565 -11.609 2.633 1.00 0.00 H new ATOM 1166 N MET A 179 3.787 -13.243 -0.938 1.00 0.00 N ATOM 1167 CA MET A 179 4.389 -14.254 -1.808 1.00 0.00 C ATOM 1168 C MET A 179 5.196 -15.280 -0.998 1.00 0.00 C ATOM 1169 O MET A 179 5.035 -16.491 -1.172 1.00 0.00 O ATOM 1170 CB MET A 179 5.288 -13.581 -2.851 1.00 0.00 C ATOM 1171 CG MET A 179 4.546 -13.143 -4.105 1.00 0.00 C ATOM 1172 SD MET A 179 5.523 -13.374 -5.603 1.00 0.00 S ATOM 1173 CE MET A 179 4.349 -12.866 -6.858 1.00 0.00 C ATOM 0 H MET A 179 4.205 -12.316 -1.020 1.00 0.00 H new ATOM 0 HA MET A 179 3.584 -14.785 -2.315 1.00 0.00 H new ATOM 0 HB2 MET A 179 5.766 -12.711 -2.399 1.00 0.00 H new ATOM 0 HB3 MET A 179 6.083 -14.271 -3.132 1.00 0.00 H new ATOM 0 HG2 MET A 179 3.618 -13.708 -4.190 1.00 0.00 H new ATOM 0 HG3 MET A 179 4.272 -12.092 -4.012 1.00 0.00 H new ATOM 0 HE1 MET A 179 4.881 -12.628 -7.779 1.00 0.00 H new ATOM 0 HE2 MET A 179 3.643 -13.675 -7.045 1.00 0.00 H new ATOM 0 HE3 MET A 179 3.807 -11.985 -6.514 1.00 0.00 H new ATOM 1183 N MET A 180 6.064 -14.783 -0.117 1.00 0.00 N ATOM 1184 CA MET A 180 6.902 -15.640 0.720 1.00 0.00 C ATOM 1185 C MET A 180 6.054 -16.505 1.660 1.00 0.00 C ATOM 1186 O MET A 180 6.258 -17.720 1.738 1.00 0.00 O ATOM 1187 CB MET A 180 7.906 -14.790 1.506 1.00 0.00 C ATOM 1188 CG MET A 180 9.055 -14.271 0.654 1.00 0.00 C ATOM 1189 SD MET A 180 10.646 -14.366 1.498 1.00 0.00 S ATOM 1190 CE MET A 180 10.947 -12.634 1.838 1.00 0.00 C ATOM 0 H MET A 180 6.205 -13.784 0.036 1.00 0.00 H new ATOM 0 HA MET A 180 7.455 -16.318 0.070 1.00 0.00 H new ATOM 0 HB2 MET A 180 7.384 -13.944 1.953 1.00 0.00 H new ATOM 0 HB3 MET A 180 8.310 -15.384 2.326 1.00 0.00 H new ATOM 0 HG2 MET A 180 9.104 -14.845 -0.271 1.00 0.00 H new ATOM 0 HG3 MET A 180 8.857 -13.236 0.376 1.00 0.00 H new ATOM 0 HE1 MET A 180 11.731 -12.264 1.177 1.00 0.00 H new ATOM 0 HE2 MET A 180 10.032 -12.066 1.669 1.00 0.00 H new ATOM 0 HE3 MET A 180 11.261 -12.516 2.875 1.00 0.00 H new ATOM 1200 N VAL A 181 5.081 -15.892 2.347 1.00 0.00 N ATOM 1201 CA VAL A 181 4.193 -16.643 3.243 1.00 0.00 C ATOM 1202 C VAL A 181 3.490 -17.746 2.458 1.00 0.00 C ATOM 1203 O VAL A 181 3.349 -18.871 2.937 1.00 0.00 O ATOM 1204 CB VAL A 181 3.145 -15.736 3.934 1.00 0.00 C ATOM 1205 CG1 VAL A 181 2.069 -15.282 2.959 1.00 0.00 C ATOM 1206 CG2 VAL A 181 2.518 -16.453 5.120 1.00 0.00 C ATOM 0 H VAL A 181 4.890 -14.891 2.301 1.00 0.00 H new ATOM 0 HA VAL A 181 4.810 -17.077 4.030 1.00 0.00 H new ATOM 0 HB VAL A 181 3.664 -14.847 4.294 1.00 0.00 H new ATOM 0 HG11 VAL A 181 1.351 -14.648 3.479 1.00 0.00 H new ATOM 0 HG12 VAL A 181 2.528 -14.720 2.146 1.00 0.00 H new ATOM 0 HG13 VAL A 181 1.555 -16.153 2.552 1.00 0.00 H new ATOM 0 HG21 VAL A 181 1.784 -15.801 5.593 1.00 0.00 H new ATOM 0 HG22 VAL A 181 2.026 -17.363 4.776 1.00 0.00 H new ATOM 0 HG23 VAL A 181 3.294 -16.710 5.841 1.00 0.00 H new ATOM 1216 N LEU A 182 3.088 -17.417 1.229 1.00 0.00 N ATOM 1217 CA LEU A 182 2.443 -18.376 0.342 1.00 0.00 C ATOM 1218 C LEU A 182 3.416 -19.506 0.010 1.00 0.00 C ATOM 1219 O LEU A 182 3.031 -20.674 -0.052 1.00 0.00 O ATOM 1220 CB LEU A 182 1.996 -17.676 -0.946 1.00 0.00 C ATOM 1221 CG LEU A 182 0.494 -17.430 -1.076 1.00 0.00 C ATOM 1222 CD1 LEU A 182 -0.036 -16.679 0.136 1.00 0.00 C ATOM 1223 CD2 LEU A 182 0.199 -16.656 -2.349 1.00 0.00 C ATOM 0 H LEU A 182 3.201 -16.486 0.827 1.00 0.00 H new ATOM 0 HA LEU A 182 1.568 -18.793 0.841 1.00 0.00 H new ATOM 0 HB2 LEU A 182 2.510 -16.717 -1.015 1.00 0.00 H new ATOM 0 HB3 LEU A 182 2.323 -18.275 -1.796 1.00 0.00 H new ATOM 0 HG LEU A 182 -0.011 -18.395 -1.126 1.00 0.00 H new ATOM 0 HD11 LEU A 182 -1.108 -16.515 0.022 1.00 0.00 H new ATOM 0 HD12 LEU A 182 0.148 -17.265 1.036 1.00 0.00 H new ATOM 0 HD13 LEU A 182 0.472 -15.718 0.219 1.00 0.00 H new ATOM 0 HD21 LEU A 182 -0.875 -16.486 -2.431 1.00 0.00 H new ATOM 0 HD22 LEU A 182 0.717 -15.697 -2.320 1.00 0.00 H new ATOM 0 HD23 LEU A 182 0.543 -17.228 -3.211 1.00 0.00 H new