USER MOD reduce.3.24.130724 H: found=0, std=0, add=390, rem=0, adj=5 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 -92:sc= 0.0464 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 93:sc= 1.22 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 164 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 175 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 179 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 180 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 237 N LEU A 14 0.199 -15.865 -7.331 1.00 0.00 N ATOM 238 CA LEU A 14 -0.843 -15.492 -8.291 1.00 0.00 C ATOM 239 C LEU A 14 -2.019 -14.803 -7.596 1.00 0.00 C ATOM 240 O LEU A 14 -2.435 -13.716 -7.999 1.00 0.00 O ATOM 241 CB LEU A 14 -1.336 -16.732 -9.049 1.00 0.00 C ATOM 242 CG LEU A 14 -1.299 -16.619 -10.575 1.00 0.00 C ATOM 243 CD1 LEU A 14 -1.517 -17.980 -11.215 1.00 0.00 C ATOM 244 CD2 LEU A 14 -2.346 -15.631 -11.063 1.00 0.00 C ATOM 0 HA LEU A 14 -0.407 -14.787 -8.999 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.730 -17.587 -8.749 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.360 -16.944 -8.741 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.315 -16.252 -10.868 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.488 -17.881 -12.300 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.732 -18.664 -10.892 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.488 -18.373 -10.913 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -2.304 -15.564 -12.150 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.336 -15.970 -10.758 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.149 -14.650 -10.631 1.00 0.00 H new ATOM 256 N THR A 15 -2.541 -15.433 -6.543 1.00 0.00 N ATOM 257 CA THR A 15 -3.662 -14.872 -5.785 1.00 0.00 C ATOM 258 C THR A 15 -3.221 -13.660 -4.971 1.00 0.00 C ATOM 259 O THR A 15 -3.835 -12.593 -5.039 1.00 0.00 O ATOM 260 CB THR A 15 -4.249 -15.932 -4.852 1.00 0.00 C ATOM 261 OG1 THR A 15 -3.214 -16.682 -4.240 1.00 0.00 O ATOM 262 CG2 THR A 15 -5.166 -16.908 -5.555 1.00 0.00 C ATOM 0 H THR A 15 -2.206 -16.332 -6.195 1.00 0.00 H new ATOM 0 HA THR A 15 -4.424 -14.552 -6.496 1.00 0.00 H new ATOM 0 HB THR A 15 -4.832 -15.380 -4.114 1.00 0.00 H new ATOM 0 HG1 THR A 15 -3.022 -17.476 -4.781 1.00 0.00 H new ATOM 0 HG21 THR A 15 -5.547 -17.632 -4.835 1.00 0.00 H new ATOM 0 HG22 THR A 15 -6.000 -16.367 -6.001 1.00 0.00 H new ATOM 0 HG23 THR A 15 -4.612 -17.429 -6.336 1.00 0.00 H new ATOM 270 N LEU A 16 -2.144 -13.835 -4.205 1.00 0.00 N ATOM 271 CA LEU A 16 -1.607 -12.766 -3.371 1.00 0.00 C ATOM 272 C LEU A 16 -1.057 -11.621 -4.217 1.00 0.00 C ATOM 273 O LEU A 16 -1.354 -10.460 -3.956 1.00 0.00 O ATOM 274 CB LEU A 16 -0.514 -13.311 -2.444 1.00 0.00 C ATOM 275 CG LEU A 16 -1.010 -13.870 -1.106 1.00 0.00 C ATOM 276 CD1 LEU A 16 -1.959 -12.893 -0.432 1.00 0.00 C ATOM 277 CD2 LEU A 16 -1.689 -15.214 -1.308 1.00 0.00 C ATOM 0 H LEU A 16 -1.626 -14.712 -4.147 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.425 -12.374 -2.766 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.027 -14.098 -2.970 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.201 -12.513 -2.243 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.146 -14.012 -0.456 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.298 -13.311 0.516 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.442 -11.951 -0.249 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.818 -12.716 -1.079 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.034 -15.595 -0.347 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.540 -15.095 -1.978 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.980 -15.918 -1.744 1.00 0.00 H new ATOM 289 N ILE A 17 -0.257 -11.951 -5.233 1.00 0.00 N ATOM 290 CA ILE A 17 0.324 -10.932 -6.111 1.00 0.00 C ATOM 291 C ILE A 17 -0.762 -10.100 -6.805 1.00 0.00 C ATOM 292 O ILE A 17 -0.653 -8.875 -6.885 1.00 0.00 O ATOM 293 CB ILE A 17 1.269 -11.557 -7.168 1.00 0.00 C ATOM 294 CG1 ILE A 17 1.988 -10.463 -7.962 1.00 0.00 C ATOM 295 CG2 ILE A 17 0.506 -12.477 -8.110 1.00 0.00 C ATOM 296 CD1 ILE A 17 3.080 -9.763 -7.181 1.00 0.00 C ATOM 0 H ILE A 17 0.002 -12.909 -5.468 1.00 0.00 H new ATOM 0 HA ILE A 17 0.912 -10.271 -5.475 1.00 0.00 H new ATOM 0 HB ILE A 17 2.013 -12.153 -6.640 1.00 0.00 H new ATOM 0 HG12 ILE A 17 2.421 -10.903 -8.860 1.00 0.00 H new ATOM 0 HG13 ILE A 17 1.257 -9.724 -8.290 1.00 0.00 H new ATOM 0 HG21 ILE A 17 1.194 -12.901 -8.841 1.00 0.00 H new ATOM 0 HG22 ILE A 17 0.043 -13.281 -7.538 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -0.267 -11.908 -8.627 1.00 0.00 H new ATOM 0 HD11 ILE A 17 3.544 -9.001 -7.807 1.00 0.00 H new ATOM 0 HD12 ILE A 17 2.650 -9.293 -6.296 1.00 0.00 H new ATOM 0 HD13 ILE A 17 3.832 -10.490 -6.876 1.00 0.00 H new ATOM 308 N PHE A 18 -1.814 -10.760 -7.295 1.00 0.00 N ATOM 309 CA PHE A 18 -2.912 -10.060 -7.968 1.00 0.00 C ATOM 310 C PHE A 18 -3.676 -9.167 -6.986 1.00 0.00 C ATOM 311 O PHE A 18 -3.889 -7.977 -7.245 1.00 0.00 O ATOM 312 CB PHE A 18 -3.868 -11.070 -8.614 1.00 0.00 C ATOM 313 CG PHE A 18 -4.704 -10.491 -9.723 1.00 0.00 C ATOM 314 CD1 PHE A 18 -5.622 -9.484 -9.466 1.00 0.00 C ATOM 315 CD2 PHE A 18 -4.572 -10.957 -11.021 1.00 0.00 C ATOM 316 CE1 PHE A 18 -6.390 -8.953 -10.483 1.00 0.00 C ATOM 317 CE2 PHE A 18 -5.340 -10.429 -12.042 1.00 0.00 C ATOM 318 CZ PHE A 18 -6.250 -9.426 -11.773 1.00 0.00 C ATOM 0 H PHE A 18 -1.929 -11.772 -7.239 1.00 0.00 H new ATOM 0 HA PHE A 18 -2.485 -9.427 -8.745 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -3.288 -11.905 -9.007 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -4.528 -11.473 -7.846 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -5.737 -9.111 -8.459 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -3.862 -11.741 -11.237 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -7.100 -8.168 -10.270 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -5.228 -10.801 -13.050 1.00 0.00 H new ATOM 0 HZ PHE A 18 -6.851 -9.012 -12.569 1.00 0.00 H new ATOM 328 N LEU A 19 -4.075 -9.745 -5.850 1.00 0.00 N ATOM 329 CA LEU A 19 -4.805 -8.999 -4.827 1.00 0.00 C ATOM 330 C LEU A 19 -3.964 -7.839 -4.298 1.00 0.00 C ATOM 331 O LEU A 19 -4.442 -6.704 -4.205 1.00 0.00 O ATOM 332 CB LEU A 19 -5.213 -9.928 -3.677 1.00 0.00 C ATOM 333 CG LEU A 19 -6.604 -9.671 -3.091 1.00 0.00 C ATOM 334 CD1 LEU A 19 -6.635 -8.350 -2.342 1.00 0.00 C ATOM 335 CD2 LEU A 19 -7.657 -9.684 -4.189 1.00 0.00 C ATOM 0 H LEU A 19 -3.905 -10.724 -5.618 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.706 -8.589 -5.283 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.171 -10.958 -4.031 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.477 -9.835 -2.878 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.830 -10.471 -2.386 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.632 -8.187 -1.934 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.910 -8.376 -1.529 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.385 -7.538 -3.025 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -8.639 -9.500 -3.754 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -7.432 -8.906 -4.918 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.656 -10.656 -4.683 1.00 0.00 H new ATOM 347 N ILE A 20 -2.704 -8.126 -3.967 1.00 0.00 N ATOM 348 CA ILE A 20 -1.795 -7.103 -3.461 1.00 0.00 C ATOM 349 C ILE A 20 -1.588 -5.997 -4.495 1.00 0.00 C ATOM 350 O ILE A 20 -1.532 -4.823 -4.140 1.00 0.00 O ATOM 351 CB ILE A 20 -0.432 -7.704 -3.028 1.00 0.00 C ATOM 352 CG1 ILE A 20 0.117 -6.946 -1.819 1.00 0.00 C ATOM 353 CG2 ILE A 20 0.579 -7.686 -4.167 1.00 0.00 C ATOM 354 CD1 ILE A 20 -0.557 -7.316 -0.515 1.00 0.00 C ATOM 0 H ILE A 20 -2.293 -9.057 -4.041 1.00 0.00 H new ATOM 0 HA ILE A 20 -2.260 -6.669 -2.576 1.00 0.00 H new ATOM 0 HB ILE A 20 -0.600 -8.745 -2.753 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.186 -7.140 -1.734 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -0.000 -5.876 -1.988 1.00 0.00 H new ATOM 0 HG21 ILE A 20 1.521 -8.115 -3.824 1.00 0.00 H new ATOM 0 HG22 ILE A 20 0.196 -8.272 -5.003 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.745 -6.658 -4.490 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -0.117 -6.739 0.299 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -1.622 -7.096 -0.581 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.418 -8.380 -0.323 1.00 0.00 H new ATOM 366 N LEU A 21 -1.499 -6.369 -5.776 1.00 0.00 N ATOM 367 CA LEU A 21 -1.325 -5.389 -6.849 1.00 0.00 C ATOM 368 C LEU A 21 -2.522 -4.437 -6.899 1.00 0.00 C ATOM 369 O LEU A 21 -2.353 -3.212 -6.944 1.00 0.00 O ATOM 370 CB LEU A 21 -1.148 -6.095 -8.200 1.00 0.00 C ATOM 371 CG LEU A 21 -0.801 -5.186 -9.386 1.00 0.00 C ATOM 372 CD1 LEU A 21 -2.064 -4.640 -10.031 1.00 0.00 C ATOM 373 CD2 LEU A 21 0.109 -4.044 -8.953 1.00 0.00 C ATOM 0 H LEU A 21 -1.544 -7.338 -6.093 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.426 -4.808 -6.643 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.362 -6.843 -8.098 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.069 -6.630 -8.433 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.266 -5.787 -10.122 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.796 -3.998 -10.870 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.677 -5.467 -10.389 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.627 -4.063 -9.298 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.339 -3.416 -9.813 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.393 -3.447 -8.192 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.034 -4.451 -8.543 1.00 0.00 H new ATOM 385 N ALA A 22 -3.733 -5.002 -6.874 1.00 0.00 N ATOM 386 CA ALA A 22 -4.951 -4.193 -6.897 1.00 0.00 C ATOM 387 C ALA A 22 -5.045 -3.318 -5.643 1.00 0.00 C ATOM 388 O ALA A 22 -5.248 -2.102 -5.735 1.00 0.00 O ATOM 389 CB ALA A 22 -6.177 -5.087 -7.021 1.00 0.00 C ATOM 0 H ALA A 22 -3.894 -6.009 -6.838 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.912 -3.536 -7.766 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.076 -4.471 -7.037 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.115 -5.663 -7.944 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.218 -5.768 -6.171 1.00 0.00 H new ATOM 395 N SER A 23 -4.873 -3.942 -4.473 1.00 0.00 N ATOM 396 CA SER A 23 -4.921 -3.220 -3.198 1.00 0.00 C ATOM 397 C SER A 23 -3.872 -2.110 -3.170 1.00 0.00 C ATOM 398 O SER A 23 -4.170 -0.971 -2.809 1.00 0.00 O ATOM 399 CB SER A 23 -4.698 -4.181 -2.026 1.00 0.00 C ATOM 400 OG SER A 23 -5.029 -3.568 -0.788 1.00 0.00 O ATOM 0 H SER A 23 -4.700 -4.943 -4.383 1.00 0.00 H new ATOM 0 HA SER A 23 -5.909 -2.771 -3.099 1.00 0.00 H new ATOM 0 HB2 SER A 23 -5.305 -5.076 -2.165 1.00 0.00 H new ATOM 0 HB3 SER A 23 -3.656 -4.502 -2.009 1.00 0.00 H new ATOM 0 HG SER A 23 -4.879 -4.204 -0.058 1.00 0.00 H new ATOM 406 N VAL A 24 -2.646 -2.452 -3.569 1.00 0.00 N ATOM 407 CA VAL A 24 -1.545 -1.490 -3.610 1.00 0.00 C ATOM 408 C VAL A 24 -1.868 -0.351 -4.572 1.00 0.00 C ATOM 409 O VAL A 24 -1.694 0.816 -4.236 1.00 0.00 O ATOM 410 CB VAL A 24 -0.215 -2.164 -4.027 1.00 0.00 C ATOM 411 CG1 VAL A 24 0.777 -1.143 -4.573 1.00 0.00 C ATOM 412 CG2 VAL A 24 0.392 -2.917 -2.854 1.00 0.00 C ATOM 0 H VAL A 24 -2.390 -3.393 -3.870 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.423 -1.090 -2.603 1.00 0.00 H new ATOM 0 HB VAL A 24 -0.437 -2.875 -4.823 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.700 -1.648 -4.857 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.349 -0.651 -5.447 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.992 -0.398 -3.806 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.326 -3.384 -3.166 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.589 -2.222 -2.038 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -0.303 -3.686 -2.516 1.00 0.00 H new ATOM 422 N THR A 25 -2.360 -0.698 -5.763 1.00 0.00 N ATOM 423 CA THR A 25 -2.728 0.307 -6.762 1.00 0.00 C ATOM 424 C THR A 25 -3.719 1.301 -6.158 1.00 0.00 C ATOM 425 O THR A 25 -3.519 2.518 -6.235 1.00 0.00 O ATOM 426 CB THR A 25 -3.337 -0.356 -8.004 1.00 0.00 C ATOM 427 OG1 THR A 25 -2.451 -1.323 -8.542 1.00 0.00 O ATOM 428 CG2 THR A 25 -3.658 0.620 -9.112 1.00 0.00 C ATOM 0 H THR A 25 -2.512 -1.662 -6.058 1.00 0.00 H new ATOM 0 HA THR A 25 -1.826 0.839 -7.066 1.00 0.00 H new ATOM 0 HB THR A 25 -4.265 -0.810 -7.657 1.00 0.00 H new ATOM 0 HG1 THR A 25 -2.664 -2.204 -8.170 1.00 0.00 H new ATOM 0 HG21 THR A 25 -4.085 0.082 -9.958 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.375 1.357 -8.751 1.00 0.00 H new ATOM 0 HG23 THR A 25 -2.745 1.126 -9.427 1.00 0.00 H new ATOM 436 N TRP A 26 -4.773 0.771 -5.530 1.00 0.00 N ATOM 437 CA TRP A 26 -5.784 1.606 -4.880 1.00 0.00 C ATOM 438 C TRP A 26 -5.152 2.423 -3.750 1.00 0.00 C ATOM 439 O TRP A 26 -5.349 3.637 -3.663 1.00 0.00 O ATOM 440 CB TRP A 26 -6.924 0.737 -4.336 1.00 0.00 C ATOM 441 CG TRP A 26 -8.281 1.167 -4.808 1.00 0.00 C ATOM 442 CD1 TRP A 26 -8.868 0.863 -6.004 1.00 0.00 C ATOM 443 CD2 TRP A 26 -9.221 1.979 -4.095 1.00 0.00 C ATOM 444 NE1 TRP A 26 -10.116 1.438 -6.076 1.00 0.00 N ATOM 445 CE2 TRP A 26 -10.355 2.126 -4.917 1.00 0.00 C ATOM 446 CE3 TRP A 26 -9.216 2.594 -2.838 1.00 0.00 C ATOM 447 CZ2 TRP A 26 -11.468 2.863 -4.524 1.00 0.00 C ATOM 448 CZ3 TRP A 26 -10.323 3.326 -2.451 1.00 0.00 C ATOM 449 CH2 TRP A 26 -11.436 3.455 -3.292 1.00 0.00 C ATOM 0 H TRP A 26 -4.947 -0.232 -5.459 1.00 0.00 H new ATOM 0 HA TRP A 26 -6.194 2.294 -5.619 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -6.755 -0.298 -4.634 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -6.902 0.763 -3.247 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -8.418 0.260 -6.779 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -10.759 1.364 -6.865 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -8.363 2.499 -2.182 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -12.328 2.964 -5.170 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 -10.330 3.807 -1.484 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -12.286 4.034 -2.961 1.00 0.00 H new ATOM 460 N LEU A 27 -4.372 1.747 -2.900 1.00 0.00 N ATOM 461 CA LEU A 27 -3.685 2.403 -1.786 1.00 0.00 C ATOM 462 C LEU A 27 -2.840 3.573 -2.295 1.00 0.00 C ATOM 463 O LEU A 27 -2.902 4.674 -1.749 1.00 0.00 O ATOM 464 CB LEU A 27 -2.798 1.400 -1.039 1.00 0.00 C ATOM 465 CG LEU A 27 -2.653 1.655 0.463 1.00 0.00 C ATOM 466 CD1 LEU A 27 -3.637 0.800 1.247 1.00 0.00 C ATOM 467 CD2 LEU A 27 -1.228 1.378 0.918 1.00 0.00 C ATOM 0 H LEU A 27 -4.201 0.743 -2.964 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.437 2.787 -1.097 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.206 0.400 -1.184 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.806 1.409 -1.491 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.878 2.704 0.655 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.519 0.995 2.313 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.655 1.046 0.943 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.443 -0.254 1.047 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.145 1.565 1.989 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.975 0.338 0.711 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.541 2.032 0.381 1.00 0.00 H new ATOM 479 N LEU A 28 -2.071 3.324 -3.358 1.00 0.00 N ATOM 480 CA LEU A 28 -1.232 4.354 -3.965 1.00 0.00 C ATOM 481 C LEU A 28 -2.094 5.532 -4.402 1.00 0.00 C ATOM 482 O LEU A 28 -1.809 6.681 -4.060 1.00 0.00 O ATOM 483 CB LEU A 28 -0.473 3.781 -5.168 1.00 0.00 C ATOM 484 CG LEU A 28 0.212 4.819 -6.062 1.00 0.00 C ATOM 485 CD1 LEU A 28 1.560 4.307 -6.535 1.00 0.00 C ATOM 486 CD2 LEU A 28 -0.669 5.165 -7.252 1.00 0.00 C ATOM 0 H LEU A 28 -2.014 2.414 -3.816 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.507 4.698 -3.228 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.282 3.085 -4.803 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.170 3.205 -5.776 1.00 0.00 H new ATOM 0 HG LEU A 28 0.371 5.724 -5.475 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.032 5.057 -7.169 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.196 4.108 -5.673 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.421 3.387 -7.103 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.165 5.904 -7.875 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.859 4.266 -7.838 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.615 5.574 -6.898 1.00 0.00 H new ATOM 498 N SER A 29 -3.168 5.232 -5.137 1.00 0.00 N ATOM 499 CA SER A 29 -4.094 6.264 -5.597 1.00 0.00 C ATOM 500 C SER A 29 -4.617 7.063 -4.406 1.00 0.00 C ATOM 501 O SER A 29 -4.628 8.295 -4.430 1.00 0.00 O ATOM 502 CB SER A 29 -5.261 5.643 -6.369 1.00 0.00 C ATOM 503 OG SER A 29 -5.718 6.521 -7.385 1.00 0.00 O ATOM 0 H SER A 29 -3.415 4.285 -5.424 1.00 0.00 H new ATOM 0 HA SER A 29 -3.558 6.934 -6.269 1.00 0.00 H new ATOM 0 HB2 SER A 29 -4.947 4.698 -6.813 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.077 5.417 -5.683 1.00 0.00 H new ATOM 0 HG SER A 29 -6.462 6.104 -7.867 1.00 0.00 H new ATOM 509 N SER A 30 -5.018 6.351 -3.349 1.00 0.00 N ATOM 510 CA SER A 30 -5.510 6.993 -2.127 1.00 0.00 C ATOM 511 C SER A 30 -4.428 7.894 -1.528 1.00 0.00 C ATOM 512 O SER A 30 -4.673 9.068 -1.239 1.00 0.00 O ATOM 513 CB SER A 30 -5.940 5.936 -1.108 1.00 0.00 C ATOM 514 OG SER A 30 -6.510 6.538 0.042 1.00 0.00 O ATOM 0 H SER A 30 -5.012 5.332 -3.315 1.00 0.00 H new ATOM 0 HA SER A 30 -6.375 7.606 -2.381 1.00 0.00 H new ATOM 0 HB2 SER A 30 -6.663 5.259 -1.564 1.00 0.00 H new ATOM 0 HB3 SER A 30 -5.079 5.334 -0.818 1.00 0.00 H new ATOM 0 HG SER A 30 -6.778 5.841 0.677 1.00 0.00 H new ATOM 520 N PHE A 31 -3.222 7.339 -1.371 1.00 0.00 N ATOM 521 CA PHE A 31 -2.084 8.090 -0.836 1.00 0.00 C ATOM 522 C PHE A 31 -1.844 9.349 -1.668 1.00 0.00 C ATOM 523 O PHE A 31 -1.699 10.447 -1.126 1.00 0.00 O ATOM 524 CB PHE A 31 -0.825 7.214 -0.835 1.00 0.00 C ATOM 525 CG PHE A 31 -0.510 6.601 0.501 1.00 0.00 C ATOM 526 CD1 PHE A 31 -1.090 5.402 0.882 1.00 0.00 C ATOM 527 CD2 PHE A 31 0.371 7.223 1.372 1.00 0.00 C ATOM 528 CE1 PHE A 31 -0.798 4.835 2.109 1.00 0.00 C ATOM 529 CE2 PHE A 31 0.666 6.660 2.599 1.00 0.00 C ATOM 530 CZ PHE A 31 0.082 5.464 2.967 1.00 0.00 C ATOM 0 H PHE A 31 -3.009 6.370 -1.608 1.00 0.00 H new ATOM 0 HA PHE A 31 -2.311 8.383 0.189 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -0.948 6.418 -1.569 1.00 0.00 H new ATOM 0 HB3 PHE A 31 0.025 7.816 -1.157 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.777 4.905 0.214 1.00 0.00 H new ATOM 0 HD2 PHE A 31 0.832 8.158 1.089 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.258 3.901 2.396 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.353 7.155 3.270 1.00 0.00 H new ATOM 0 HZ PHE A 31 0.313 5.021 3.925 1.00 0.00 H new ATOM 540 N VAL A 32 -1.828 9.180 -2.992 1.00 0.00 N ATOM 541 CA VAL A 32 -1.636 10.296 -3.917 1.00 0.00 C ATOM 542 C VAL A 32 -2.756 11.325 -3.745 1.00 0.00 C ATOM 543 O VAL A 32 -2.505 12.531 -3.726 1.00 0.00 O ATOM 544 CB VAL A 32 -1.596 9.806 -5.386 1.00 0.00 C ATOM 545 CG1 VAL A 32 -1.624 10.976 -6.361 1.00 0.00 C ATOM 546 CG2 VAL A 32 -0.365 8.948 -5.629 1.00 0.00 C ATOM 0 H VAL A 32 -1.947 8.275 -3.448 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.678 10.762 -3.684 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.486 9.201 -5.559 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.595 10.599 -7.383 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -2.538 11.551 -6.213 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.759 11.616 -6.186 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.354 8.613 -6.666 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.532 9.533 -5.427 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.389 8.082 -4.968 1.00 0.00 H new ATOM 556 N ALA A 33 -3.988 10.834 -3.604 1.00 0.00 N ATOM 557 CA ALA A 33 -5.145 11.704 -3.411 1.00 0.00 C ATOM 558 C ALA A 33 -5.042 12.456 -2.081 1.00 0.00 C ATOM 559 O ALA A 33 -5.194 13.677 -2.039 1.00 0.00 O ATOM 560 CB ALA A 33 -6.432 10.888 -3.472 1.00 0.00 C ATOM 0 H ALA A 33 -4.209 9.838 -3.620 1.00 0.00 H new ATOM 0 HA ALA A 33 -5.163 12.441 -4.214 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -7.288 11.547 -3.327 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.509 10.402 -4.445 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -6.420 10.131 -2.688 1.00 0.00 H new ATOM 566 N TRP A 34 -4.770 11.715 -1.000 1.00 0.00 N ATOM 567 CA TRP A 34 -4.631 12.307 0.335 1.00 0.00 C ATOM 568 C TRP A 34 -3.598 13.441 0.329 1.00 0.00 C ATOM 569 O TRP A 34 -3.883 14.542 0.796 1.00 0.00 O ATOM 570 CB TRP A 34 -4.235 11.226 1.349 1.00 0.00 C ATOM 571 CG TRP A 34 -4.146 11.719 2.764 1.00 0.00 C ATOM 572 CD1 TRP A 34 -5.086 12.439 3.448 1.00 0.00 C ATOM 573 CD2 TRP A 34 -3.055 11.522 3.670 1.00 0.00 C ATOM 574 NE1 TRP A 34 -4.642 12.701 4.724 1.00 0.00 N ATOM 575 CE2 TRP A 34 -3.399 12.148 4.884 1.00 0.00 C ATOM 576 CE3 TRP A 34 -1.819 10.876 3.573 1.00 0.00 C ATOM 577 CZ2 TRP A 34 -2.553 12.146 5.989 1.00 0.00 C ATOM 578 CZ3 TRP A 34 -0.979 10.874 4.671 1.00 0.00 C ATOM 579 CH2 TRP A 34 -1.349 11.506 5.865 1.00 0.00 C ATOM 0 H TRP A 34 -4.642 10.703 -1.024 1.00 0.00 H new ATOM 0 HA TRP A 34 -5.592 12.731 0.626 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -4.962 10.415 1.303 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -3.271 10.807 1.060 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -6.037 12.756 3.046 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -5.155 13.222 5.435 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -1.525 10.387 2.656 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -2.836 12.632 6.911 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -0.022 10.377 4.607 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -0.671 11.488 6.705 1.00 0.00 H new ATOM 850 N ILE A 160 4.710 11.704 -7.937 1.00 0.00 N ATOM 851 CA ILE A 160 4.893 10.378 -8.525 1.00 0.00 C ATOM 852 C ILE A 160 5.972 9.587 -7.780 1.00 0.00 C ATOM 853 O ILE A 160 5.751 8.438 -7.393 1.00 0.00 O ATOM 854 CB ILE A 160 5.267 10.472 -10.023 1.00 0.00 C ATOM 855 CG1 ILE A 160 4.188 11.232 -10.799 1.00 0.00 C ATOM 856 CG2 ILE A 160 5.464 9.083 -10.613 1.00 0.00 C ATOM 857 CD1 ILE A 160 4.709 12.448 -11.535 1.00 0.00 C ATOM 0 HA ILE A 160 3.941 9.855 -8.433 1.00 0.00 H new ATOM 0 HB ILE A 160 6.205 11.020 -10.108 1.00 0.00 H new ATOM 0 HG12 ILE A 160 3.725 10.555 -11.517 1.00 0.00 H new ATOM 0 HG13 ILE A 160 3.407 11.545 -10.106 1.00 0.00 H new ATOM 0 HG21 ILE A 160 5.727 9.169 -11.667 1.00 0.00 H new ATOM 0 HG22 ILE A 160 6.266 8.572 -10.080 1.00 0.00 H new ATOM 0 HG23 ILE A 160 4.541 8.512 -10.515 1.00 0.00 H new ATOM 0 HD11 ILE A 160 3.888 12.934 -12.061 1.00 0.00 H new ATOM 0 HD12 ILE A 160 5.146 13.146 -10.821 1.00 0.00 H new ATOM 0 HD13 ILE A 160 5.469 12.141 -12.254 1.00 0.00 H new ATOM 869 N VAL A 161 7.135 10.210 -7.581 1.00 0.00 N ATOM 870 CA VAL A 161 8.246 9.559 -6.884 1.00 0.00 C ATOM 871 C VAL A 161 7.862 9.164 -5.457 1.00 0.00 C ATOM 872 O VAL A 161 8.050 8.014 -5.061 1.00 0.00 O ATOM 873 CB VAL A 161 9.497 10.465 -6.845 1.00 0.00 C ATOM 874 CG1 VAL A 161 10.622 9.803 -6.058 1.00 0.00 C ATOM 875 CG2 VAL A 161 9.962 10.798 -8.254 1.00 0.00 C ATOM 0 H VAL A 161 7.332 11.161 -7.891 1.00 0.00 H new ATOM 0 HA VAL A 161 8.480 8.656 -7.448 1.00 0.00 H new ATOM 0 HB VAL A 161 9.226 11.393 -6.341 1.00 0.00 H new ATOM 0 HG11 VAL A 161 11.492 10.460 -6.044 1.00 0.00 H new ATOM 0 HG12 VAL A 161 10.291 9.618 -5.036 1.00 0.00 H new ATOM 0 HG13 VAL A 161 10.889 8.857 -6.530 1.00 0.00 H new ATOM 0 HG21 VAL A 161 10.844 11.437 -8.205 1.00 0.00 H new ATOM 0 HG22 VAL A 161 10.210 9.877 -8.782 1.00 0.00 H new ATOM 0 HG23 VAL A 161 9.166 11.319 -8.786 1.00 0.00 H new ATOM 885 N ALA A 162 7.311 10.107 -4.691 1.00 0.00 N ATOM 886 CA ALA A 162 6.897 9.823 -3.317 1.00 0.00 C ATOM 887 C ALA A 162 5.675 8.905 -3.296 1.00 0.00 C ATOM 888 O ALA A 162 5.670 7.882 -2.606 1.00 0.00 O ATOM 889 CB ALA A 162 6.613 11.117 -2.565 1.00 0.00 C ATOM 0 H ALA A 162 7.142 11.066 -4.996 1.00 0.00 H new ATOM 0 HA ALA A 162 7.715 9.307 -2.814 1.00 0.00 H new ATOM 0 HB1 ALA A 162 6.306 10.885 -1.545 1.00 0.00 H new ATOM 0 HB2 ALA A 162 7.514 11.730 -2.543 1.00 0.00 H new ATOM 0 HB3 ALA A 162 5.815 11.663 -3.068 1.00 0.00 H new ATOM 895 N GLY A 163 4.650 9.275 -4.072 1.00 0.00 N ATOM 896 CA GLY A 163 3.434 8.478 -4.150 1.00 0.00 C ATOM 897 C GLY A 163 3.714 7.024 -4.473 1.00 0.00 C ATOM 898 O GLY A 163 3.225 6.134 -3.786 1.00 0.00 O ATOM 0 H GLY A 163 4.644 10.116 -4.649 1.00 0.00 H new ATOM 0 HA2 GLY A 163 2.901 8.540 -3.201 1.00 0.00 H new ATOM 0 HA3 GLY A 163 2.777 8.896 -4.913 1.00 0.00 H new ATOM 902 N GLN A 164 4.509 6.785 -5.516 1.00 0.00 N ATOM 903 CA GLN A 164 4.863 5.423 -5.918 1.00 0.00 C ATOM 904 C GLN A 164 5.815 4.763 -4.913 1.00 0.00 C ATOM 905 O GLN A 164 5.695 3.572 -4.628 1.00 0.00 O ATOM 906 CB GLN A 164 5.483 5.415 -7.316 1.00 0.00 C ATOM 907 CG GLN A 164 5.030 4.238 -8.169 1.00 0.00 C ATOM 908 CD GLN A 164 6.099 3.763 -9.129 1.00 0.00 C ATOM 909 OE1 GLN A 164 6.151 4.191 -10.277 1.00 0.00 O ATOM 910 NE2 GLN A 164 6.964 2.872 -8.666 1.00 0.00 N ATOM 0 H GLN A 164 4.920 7.516 -6.097 1.00 0.00 H new ATOM 0 HA GLN A 164 3.941 4.841 -5.937 1.00 0.00 H new ATOM 0 HB2 GLN A 164 5.226 6.344 -7.825 1.00 0.00 H new ATOM 0 HB3 GLN A 164 6.569 5.392 -7.224 1.00 0.00 H new ATOM 0 HG2 GLN A 164 4.741 3.413 -7.518 1.00 0.00 H new ATOM 0 HG3 GLN A 164 4.143 4.525 -8.733 1.00 0.00 H new ATOM 0 HE21 GLN A 164 6.888 2.540 -7.705 1.00 0.00 H new ATOM 0 HE22 GLN A 164 7.705 2.519 -9.271 1.00 0.00 H new ATOM 919 N LEU A 165 6.771 5.536 -4.390 1.00 0.00 N ATOM 920 CA LEU A 165 7.747 5.010 -3.428 1.00 0.00 C ATOM 921 C LEU A 165 7.064 4.381 -2.209 1.00 0.00 C ATOM 922 O LEU A 165 7.436 3.284 -1.785 1.00 0.00 O ATOM 923 CB LEU A 165 8.700 6.120 -2.975 1.00 0.00 C ATOM 924 CG LEU A 165 9.839 5.663 -2.062 1.00 0.00 C ATOM 925 CD1 LEU A 165 11.184 5.918 -2.722 1.00 0.00 C ATOM 926 CD2 LEU A 165 9.763 6.366 -0.717 1.00 0.00 C ATOM 0 H LEU A 165 6.891 6.524 -4.614 1.00 0.00 H new ATOM 0 HA LEU A 165 8.314 4.229 -3.934 1.00 0.00 H new ATOM 0 HB2 LEU A 165 9.130 6.592 -3.859 1.00 0.00 H new ATOM 0 HB3 LEU A 165 8.122 6.884 -2.455 1.00 0.00 H new ATOM 0 HG LEU A 165 9.735 4.591 -1.894 1.00 0.00 H new ATOM 0 HD11 LEU A 165 11.983 5.587 -2.059 1.00 0.00 H new ATOM 0 HD12 LEU A 165 11.239 5.366 -3.660 1.00 0.00 H new ATOM 0 HD13 LEU A 165 11.295 6.984 -2.921 1.00 0.00 H new ATOM 0 HD21 LEU A 165 10.582 6.027 -0.082 1.00 0.00 H new ATOM 0 HD22 LEU A 165 9.840 7.443 -0.865 1.00 0.00 H new ATOM 0 HD23 LEU A 165 8.812 6.133 -0.238 1.00 0.00 H new ATOM 938 N ILE A 166 6.074 5.082 -1.649 1.00 0.00 N ATOM 939 CA ILE A 166 5.343 4.593 -0.473 1.00 0.00 C ATOM 940 C ILE A 166 4.940 3.115 -0.625 1.00 0.00 C ATOM 941 O ILE A 166 5.400 2.265 0.146 1.00 0.00 O ATOM 942 CB ILE A 166 4.095 5.461 -0.180 1.00 0.00 C ATOM 943 CG1 ILE A 166 4.516 6.875 0.235 1.00 0.00 C ATOM 944 CG2 ILE A 166 3.236 4.829 0.908 1.00 0.00 C ATOM 945 CD1 ILE A 166 3.630 7.959 -0.336 1.00 0.00 C ATOM 0 H ILE A 166 5.759 5.990 -1.990 1.00 0.00 H new ATOM 0 HA ILE A 166 6.023 4.672 0.375 1.00 0.00 H new ATOM 0 HB ILE A 166 3.502 5.522 -1.093 1.00 0.00 H new ATOM 0 HG12 ILE A 166 4.506 6.944 1.323 1.00 0.00 H new ATOM 0 HG13 ILE A 166 5.543 7.049 -0.086 1.00 0.00 H new ATOM 0 HG21 ILE A 166 2.366 5.458 1.096 1.00 0.00 H new ATOM 0 HG22 ILE A 166 2.907 3.841 0.584 1.00 0.00 H new ATOM 0 HG23 ILE A 166 3.820 4.735 1.824 1.00 0.00 H new ATOM 0 HD11 ILE A 166 3.986 8.933 -0.002 1.00 0.00 H new ATOM 0 HD12 ILE A 166 3.659 7.916 -1.425 1.00 0.00 H new ATOM 0 HD13 ILE A 166 2.606 7.810 0.006 1.00 0.00 H new ATOM 957 N PRO A 167 4.087 2.776 -1.622 1.00 0.00 N ATOM 958 CA PRO A 167 3.657 1.391 -1.849 1.00 0.00 C ATOM 959 C PRO A 167 4.836 0.443 -2.085 1.00 0.00 C ATOM 960 O PRO A 167 4.760 -0.731 -1.740 1.00 0.00 O ATOM 961 CB PRO A 167 2.758 1.470 -3.091 1.00 0.00 C ATOM 962 CG PRO A 167 3.053 2.790 -3.713 1.00 0.00 C ATOM 963 CD PRO A 167 3.491 3.698 -2.599 1.00 0.00 C ATOM 0 HA PRO A 167 3.142 0.986 -0.978 1.00 0.00 H new ATOM 0 HB2 PRO A 167 2.971 0.654 -3.782 1.00 0.00 H new ATOM 0 HB3 PRO A 167 1.705 1.391 -2.819 1.00 0.00 H new ATOM 0 HG2 PRO A 167 3.834 2.697 -4.468 1.00 0.00 H new ATOM 0 HG3 PRO A 167 2.171 3.188 -4.214 1.00 0.00 H new ATOM 0 HD2 PRO A 167 4.212 4.439 -2.944 1.00 0.00 H new ATOM 0 HD3 PRO A 167 2.650 4.246 -2.173 1.00 0.00 H new ATOM 971 N TRP A 168 5.932 0.959 -2.654 1.00 0.00 N ATOM 972 CA TRP A 168 7.126 0.144 -2.902 1.00 0.00 C ATOM 973 C TRP A 168 7.791 -0.230 -1.571 1.00 0.00 C ATOM 974 O TRP A 168 7.996 -1.416 -1.271 1.00 0.00 O ATOM 975 CB TRP A 168 8.111 0.905 -3.801 1.00 0.00 C ATOM 976 CG TRP A 168 9.414 0.193 -4.012 1.00 0.00 C ATOM 977 CD1 TRP A 168 9.605 -1.001 -4.647 1.00 0.00 C ATOM 978 CD2 TRP A 168 10.711 0.633 -3.586 1.00 0.00 C ATOM 979 NE1 TRP A 168 10.940 -1.331 -4.642 1.00 0.00 N ATOM 980 CE2 TRP A 168 11.638 -0.344 -3.996 1.00 0.00 C ATOM 981 CE3 TRP A 168 11.176 1.757 -2.897 1.00 0.00 C ATOM 982 CZ2 TRP A 168 13.002 -0.228 -3.741 1.00 0.00 C ATOM 983 CZ3 TRP A 168 12.530 1.871 -2.644 1.00 0.00 C ATOM 984 CH2 TRP A 168 13.430 0.883 -3.066 1.00 0.00 C ATOM 0 H TRP A 168 6.016 1.932 -2.950 1.00 0.00 H new ATOM 0 HA TRP A 168 6.830 -0.772 -3.414 1.00 0.00 H new ATOM 0 HB2 TRP A 168 7.643 1.081 -4.770 1.00 0.00 H new ATOM 0 HB3 TRP A 168 8.309 1.882 -3.361 1.00 0.00 H new ATOM 0 HD1 TRP A 168 8.822 -1.599 -5.089 1.00 0.00 H new ATOM 0 HE1 TRP A 168 11.345 -2.173 -5.052 1.00 0.00 H new ATOM 0 HE3 TRP A 168 10.489 2.523 -2.568 1.00 0.00 H new ATOM 0 HZ2 TRP A 168 13.698 -0.988 -4.065 1.00 0.00 H new ATOM 0 HZ3 TRP A 168 12.900 2.735 -2.113 1.00 0.00 H new ATOM 0 HH2 TRP A 168 14.482 1.001 -2.854 1.00 0.00 H new ATOM 995 N LEU A 169 8.095 0.790 -0.762 1.00 0.00 N ATOM 996 CA LEU A 169 8.702 0.578 0.552 1.00 0.00 C ATOM 997 C LEU A 169 7.834 -0.373 1.376 1.00 0.00 C ATOM 998 O LEU A 169 8.335 -1.320 1.985 1.00 0.00 O ATOM 999 CB LEU A 169 8.872 1.913 1.284 1.00 0.00 C ATOM 1000 CG LEU A 169 10.194 2.077 2.039 1.00 0.00 C ATOM 1001 CD1 LEU A 169 11.222 2.777 1.168 1.00 0.00 C ATOM 1002 CD2 LEU A 169 9.978 2.850 3.329 1.00 0.00 C ATOM 0 H LEU A 169 7.930 1.769 -0.996 1.00 0.00 H new ATOM 0 HA LEU A 169 9.688 0.132 0.418 1.00 0.00 H new ATOM 0 HB2 LEU A 169 8.784 2.721 0.558 1.00 0.00 H new ATOM 0 HB3 LEU A 169 8.051 2.029 1.991 1.00 0.00 H new ATOM 0 HG LEU A 169 10.572 1.086 2.289 1.00 0.00 H new ATOM 0 HD11 LEU A 169 12.155 2.885 1.721 1.00 0.00 H new ATOM 0 HD12 LEU A 169 11.399 2.187 0.269 1.00 0.00 H new ATOM 0 HD13 LEU A 169 10.851 3.763 0.888 1.00 0.00 H new ATOM 0 HD21 LEU A 169 10.928 2.957 3.852 1.00 0.00 H new ATOM 0 HD22 LEU A 169 9.577 3.837 3.099 1.00 0.00 H new ATOM 0 HD23 LEU A 169 9.273 2.311 3.962 1.00 0.00 H new ATOM 1014 N VAL A 170 6.522 -0.126 1.360 1.00 0.00 N ATOM 1015 CA VAL A 170 5.564 -0.970 2.076 1.00 0.00 C ATOM 1016 C VAL A 170 5.435 -2.343 1.399 1.00 0.00 C ATOM 1017 O VAL A 170 5.102 -3.337 2.048 1.00 0.00 O ATOM 1018 CB VAL A 170 4.171 -0.302 2.155 1.00 0.00 C ATOM 1019 CG1 VAL A 170 3.179 -1.198 2.880 1.00 0.00 C ATOM 1020 CG2 VAL A 170 4.263 1.052 2.846 1.00 0.00 C ATOM 0 H VAL A 170 6.098 0.654 0.857 1.00 0.00 H new ATOM 0 HA VAL A 170 5.944 -1.102 3.089 1.00 0.00 H new ATOM 0 HB VAL A 170 3.814 -0.149 1.137 1.00 0.00 H new ATOM 0 HG11 VAL A 170 2.207 -0.706 2.922 1.00 0.00 H new ATOM 0 HG12 VAL A 170 3.084 -2.143 2.345 1.00 0.00 H new ATOM 0 HG13 VAL A 170 3.534 -1.388 3.893 1.00 0.00 H new ATOM 0 HG21 VAL A 170 3.273 1.505 2.891 1.00 0.00 H new ATOM 0 HG22 VAL A 170 4.648 0.919 3.857 1.00 0.00 H new ATOM 0 HG23 VAL A 170 4.934 1.702 2.285 1.00 0.00 H new ATOM 1030 N ALA A 171 5.701 -2.390 0.091 1.00 0.00 N ATOM 1031 CA ALA A 171 5.623 -3.632 -0.676 1.00 0.00 C ATOM 1032 C ALA A 171 6.696 -4.621 -0.231 1.00 0.00 C ATOM 1033 O ALA A 171 6.423 -5.811 -0.096 1.00 0.00 O ATOM 1034 CB ALA A 171 5.746 -3.350 -2.169 1.00 0.00 C ATOM 0 H ALA A 171 5.974 -1.576 -0.460 1.00 0.00 H new ATOM 0 HA ALA A 171 4.648 -4.082 -0.486 1.00 0.00 H new ATOM 0 HB1 ALA A 171 5.686 -4.287 -2.722 1.00 0.00 H new ATOM 0 HB2 ALA A 171 4.937 -2.691 -2.483 1.00 0.00 H new ATOM 0 HB3 ALA A 171 6.704 -2.870 -2.371 1.00 0.00 H new ATOM 1040 N LEU A 172 7.916 -4.122 0.003 1.00 0.00 N ATOM 1041 CA LEU A 172 9.028 -4.978 0.446 1.00 0.00 C ATOM 1042 C LEU A 172 8.547 -6.006 1.487 1.00 0.00 C ATOM 1043 O LEU A 172 8.571 -7.219 1.232 1.00 0.00 O ATOM 1044 CB LEU A 172 10.168 -4.124 1.018 1.00 0.00 C ATOM 1045 CG LEU A 172 11.527 -4.312 0.339 1.00 0.00 C ATOM 1046 CD1 LEU A 172 11.477 -3.848 -1.107 1.00 0.00 C ATOM 1047 CD2 LEU A 172 12.607 -3.562 1.098 1.00 0.00 C ATOM 0 H LEU A 172 8.159 -3.137 -0.105 1.00 0.00 H new ATOM 0 HA LEU A 172 9.405 -5.523 -0.420 1.00 0.00 H new ATOM 0 HB2 LEU A 172 9.886 -3.074 0.945 1.00 0.00 H new ATOM 0 HB3 LEU A 172 10.275 -4.352 2.078 1.00 0.00 H new ATOM 0 HG LEU A 172 11.768 -5.375 0.348 1.00 0.00 H new ATOM 0 HD11 LEU A 172 12.454 -3.991 -1.569 1.00 0.00 H new ATOM 0 HD12 LEU A 172 10.730 -4.428 -1.650 1.00 0.00 H new ATOM 0 HD13 LEU A 172 11.211 -2.792 -1.141 1.00 0.00 H new ATOM 0 HD21 LEU A 172 13.567 -3.706 0.602 1.00 0.00 H new ATOM 0 HD22 LEU A 172 12.365 -2.499 1.119 1.00 0.00 H new ATOM 0 HD23 LEU A 172 12.665 -3.941 2.118 1.00 0.00 H new ATOM 1059 N PRO A 173 8.068 -5.541 2.664 1.00 0.00 N ATOM 1060 CA PRO A 173 7.552 -6.439 3.704 1.00 0.00 C ATOM 1061 C PRO A 173 6.329 -7.209 3.209 1.00 0.00 C ATOM 1062 O PRO A 173 6.175 -8.396 3.500 1.00 0.00 O ATOM 1063 CB PRO A 173 7.184 -5.498 4.859 1.00 0.00 C ATOM 1064 CG PRO A 173 7.018 -4.158 4.232 1.00 0.00 C ATOM 1065 CD PRO A 173 7.960 -4.123 3.059 1.00 0.00 C ATOM 0 HA PRO A 173 8.277 -7.198 3.999 1.00 0.00 H new ATOM 0 HB2 PRO A 173 6.266 -5.819 5.351 1.00 0.00 H new ATOM 0 HB3 PRO A 173 7.965 -5.483 5.619 1.00 0.00 H new ATOM 0 HG2 PRO A 173 5.988 -4.004 3.909 1.00 0.00 H new ATOM 0 HG3 PRO A 173 7.251 -3.365 4.942 1.00 0.00 H new ATOM 0 HD2 PRO A 173 7.569 -3.509 2.248 1.00 0.00 H new ATOM 0 HD3 PRO A 173 8.929 -3.708 3.334 1.00 0.00 H new ATOM 1073 N ILE A 174 5.479 -6.531 2.424 1.00 0.00 N ATOM 1074 CA ILE A 174 4.286 -7.153 1.845 1.00 0.00 C ATOM 1075 C ILE A 174 4.656 -8.461 1.136 1.00 0.00 C ATOM 1076 O ILE A 174 3.971 -9.473 1.277 1.00 0.00 O ATOM 1077 CB ILE A 174 3.562 -6.185 0.867 1.00 0.00 C ATOM 1078 CG1 ILE A 174 2.148 -5.887 1.365 1.00 0.00 C ATOM 1079 CG2 ILE A 174 3.512 -6.739 -0.554 1.00 0.00 C ATOM 1080 CD1 ILE A 174 2.115 -5.099 2.657 1.00 0.00 C ATOM 0 H ILE A 174 5.599 -5.549 2.177 1.00 0.00 H new ATOM 0 HA ILE A 174 3.597 -7.380 2.658 1.00 0.00 H new ATOM 0 HB ILE A 174 4.138 -5.260 0.839 1.00 0.00 H new ATOM 0 HG12 ILE A 174 1.610 -5.332 0.596 1.00 0.00 H new ATOM 0 HG13 ILE A 174 1.617 -6.828 1.509 1.00 0.00 H new ATOM 0 HG21 ILE A 174 2.998 -6.030 -1.203 1.00 0.00 H new ATOM 0 HG22 ILE A 174 4.527 -6.895 -0.920 1.00 0.00 H new ATOM 0 HG23 ILE A 174 2.976 -7.688 -0.556 1.00 0.00 H new ATOM 0 HD11 ILE A 174 1.080 -4.924 2.950 1.00 0.00 H new ATOM 0 HD12 ILE A 174 2.624 -5.662 3.440 1.00 0.00 H new ATOM 0 HD13 ILE A 174 2.618 -4.143 2.513 1.00 0.00 H new ATOM 1092 N MET A 175 5.759 -8.430 0.386 1.00 0.00 N ATOM 1093 CA MET A 175 6.241 -9.608 -0.327 1.00 0.00 C ATOM 1094 C MET A 175 6.633 -10.698 0.668 1.00 0.00 C ATOM 1095 O MET A 175 6.283 -11.869 0.489 1.00 0.00 O ATOM 1096 CB MET A 175 7.440 -9.244 -1.211 1.00 0.00 C ATOM 1097 CG MET A 175 7.062 -8.916 -2.646 1.00 0.00 C ATOM 1098 SD MET A 175 7.689 -10.129 -3.823 1.00 0.00 S ATOM 1099 CE MET A 175 8.554 -9.064 -4.973 1.00 0.00 C ATOM 0 H MET A 175 6.335 -7.598 0.258 1.00 0.00 H new ATOM 0 HA MET A 175 5.440 -9.982 -0.965 1.00 0.00 H new ATOM 0 HB2 MET A 175 7.955 -8.388 -0.775 1.00 0.00 H new ATOM 0 HB3 MET A 175 8.146 -10.075 -1.211 1.00 0.00 H new ATOM 0 HG2 MET A 175 5.976 -8.863 -2.729 1.00 0.00 H new ATOM 0 HG3 MET A 175 7.450 -7.931 -2.904 1.00 0.00 H new ATOM 0 HE1 MET A 175 8.999 -9.668 -5.764 1.00 0.00 H new ATOM 0 HE2 MET A 175 7.852 -8.354 -5.410 1.00 0.00 H new ATOM 0 HE3 MET A 175 9.339 -8.521 -4.446 1.00 0.00 H new ATOM 1109 N LEU A 176 7.343 -10.297 1.727 1.00 0.00 N ATOM 1110 CA LEU A 176 7.764 -11.233 2.767 1.00 0.00 C ATOM 1111 C LEU A 176 6.548 -11.881 3.431 1.00 0.00 C ATOM 1112 O LEU A 176 6.477 -13.104 3.546 1.00 0.00 O ATOM 1113 CB LEU A 176 8.626 -10.520 3.816 1.00 0.00 C ATOM 1114 CG LEU A 176 9.271 -11.438 4.859 1.00 0.00 C ATOM 1115 CD1 LEU A 176 10.775 -11.218 4.913 1.00 0.00 C ATOM 1116 CD2 LEU A 176 8.652 -11.207 6.228 1.00 0.00 C ATOM 0 H LEU A 176 7.636 -9.333 1.884 1.00 0.00 H new ATOM 0 HA LEU A 176 8.362 -12.016 2.300 1.00 0.00 H new ATOM 0 HB2 LEU A 176 9.414 -9.969 3.303 1.00 0.00 H new ATOM 0 HB3 LEU A 176 8.008 -9.786 4.333 1.00 0.00 H new ATOM 0 HG LEU A 176 9.086 -12.471 4.565 1.00 0.00 H new ATOM 0 HD11 LEU A 176 11.213 -11.880 5.660 1.00 0.00 H new ATOM 0 HD12 LEU A 176 11.210 -11.434 3.937 1.00 0.00 H new ATOM 0 HD13 LEU A 176 10.982 -10.182 5.181 1.00 0.00 H new ATOM 0 HD21 LEU A 176 9.122 -11.868 6.956 1.00 0.00 H new ATOM 0 HD22 LEU A 176 8.806 -10.170 6.526 1.00 0.00 H new ATOM 0 HD23 LEU A 176 7.583 -11.417 6.184 1.00 0.00 H new ATOM 1128 N ILE A 177 5.585 -11.057 3.851 1.00 0.00 N ATOM 1129 CA ILE A 177 4.367 -11.566 4.488 1.00 0.00 C ATOM 1130 C ILE A 177 3.548 -12.409 3.508 1.00 0.00 C ATOM 1131 O ILE A 177 3.060 -13.479 3.865 1.00 0.00 O ATOM 1132 CB ILE A 177 3.483 -10.430 5.067 1.00 0.00 C ATOM 1133 CG1 ILE A 177 2.201 -11.003 5.678 1.00 0.00 C ATOM 1134 CG2 ILE A 177 3.138 -9.399 4.004 1.00 0.00 C ATOM 1135 CD1 ILE A 177 1.792 -10.333 6.971 1.00 0.00 C ATOM 0 H ILE A 177 5.624 -10.042 3.763 1.00 0.00 H new ATOM 0 HA ILE A 177 4.691 -12.192 5.319 1.00 0.00 H new ATOM 0 HB ILE A 177 4.057 -9.933 5.849 1.00 0.00 H new ATOM 0 HG12 ILE A 177 1.390 -10.906 4.956 1.00 0.00 H new ATOM 0 HG13 ILE A 177 2.340 -12.069 5.859 1.00 0.00 H new ATOM 0 HG21 ILE A 177 2.518 -8.617 4.443 1.00 0.00 H new ATOM 0 HG22 ILE A 177 4.055 -8.958 3.613 1.00 0.00 H new ATOM 0 HG23 ILE A 177 2.593 -9.881 3.193 1.00 0.00 H new ATOM 0 HD11 ILE A 177 0.876 -10.791 7.344 1.00 0.00 H new ATOM 0 HD12 ILE A 177 2.585 -10.453 7.709 1.00 0.00 H new ATOM 0 HD13 ILE A 177 1.620 -9.272 6.792 1.00 0.00 H new ATOM 1147 N ILE A 178 3.417 -11.932 2.266 1.00 0.00 N ATOM 1148 CA ILE A 178 2.672 -12.660 1.237 1.00 0.00 C ATOM 1149 C ILE A 178 3.244 -14.065 1.055 1.00 0.00 C ATOM 1150 O ILE A 178 2.506 -15.052 1.060 1.00 0.00 O ATOM 1151 CB ILE A 178 2.689 -11.907 -0.118 1.00 0.00 C ATOM 1152 CG1 ILE A 178 1.581 -10.853 -0.148 1.00 0.00 C ATOM 1153 CG2 ILE A 178 2.532 -12.875 -1.286 1.00 0.00 C ATOM 1154 CD1 ILE A 178 1.516 -10.077 -1.445 1.00 0.00 C ATOM 0 H ILE A 178 3.816 -11.048 1.951 1.00 0.00 H new ATOM 0 HA ILE A 178 1.638 -12.733 1.573 1.00 0.00 H new ATOM 0 HB ILE A 178 3.654 -11.410 -0.220 1.00 0.00 H new ATOM 0 HG12 ILE A 178 0.622 -11.342 0.021 1.00 0.00 H new ATOM 0 HG13 ILE A 178 1.733 -10.155 0.676 1.00 0.00 H new ATOM 0 HG21 ILE A 178 2.547 -12.319 -2.224 1.00 0.00 H new ATOM 0 HG22 ILE A 178 3.352 -13.593 -1.276 1.00 0.00 H new ATOM 0 HG23 ILE A 178 1.584 -13.405 -1.194 1.00 0.00 H new ATOM 0 HD11 ILE A 178 0.707 -9.348 -1.393 1.00 0.00 H new ATOM 0 HD12 ILE A 178 2.461 -9.559 -1.607 1.00 0.00 H new ATOM 0 HD13 ILE A 178 1.333 -10.764 -2.271 1.00 0.00 H new ATOM 1166 N MET A 179 4.564 -14.154 0.906 1.00 0.00 N ATOM 1167 CA MET A 179 5.222 -15.446 0.743 1.00 0.00 C ATOM 1168 C MET A 179 5.183 -16.241 2.053 1.00 0.00 C ATOM 1169 O MET A 179 4.969 -17.455 2.044 1.00 0.00 O ATOM 1170 CB MET A 179 6.664 -15.261 0.269 1.00 0.00 C ATOM 1171 CG MET A 179 7.135 -16.364 -0.666 1.00 0.00 C ATOM 1172 SD MET A 179 8.922 -16.589 -0.635 1.00 0.00 S ATOM 1173 CE MET A 179 9.063 -17.999 0.460 1.00 0.00 C ATOM 0 H MET A 179 5.194 -13.352 0.895 1.00 0.00 H new ATOM 0 HA MET A 179 4.682 -16.011 -0.017 1.00 0.00 H new ATOM 0 HB2 MET A 179 6.752 -14.301 -0.239 1.00 0.00 H new ATOM 0 HB3 MET A 179 7.323 -15.224 1.137 1.00 0.00 H new ATOM 0 HG2 MET A 179 6.651 -17.300 -0.389 1.00 0.00 H new ATOM 0 HG3 MET A 179 6.820 -16.131 -1.683 1.00 0.00 H new ATOM 0 HE1 MET A 179 10.114 -18.262 0.581 1.00 0.00 H new ATOM 0 HE2 MET A 179 8.637 -17.749 1.432 1.00 0.00 H new ATOM 0 HE3 MET A 179 8.524 -18.845 0.035 1.00 0.00 H new ATOM 1183 N MET A 180 5.387 -15.546 3.178 1.00 0.00 N ATOM 1184 CA MET A 180 5.370 -16.180 4.499 1.00 0.00 C ATOM 1185 C MET A 180 4.007 -16.814 4.805 1.00 0.00 C ATOM 1186 O MET A 180 3.942 -17.947 5.294 1.00 0.00 O ATOM 1187 CB MET A 180 5.731 -15.159 5.578 1.00 0.00 C ATOM 1188 CG MET A 180 7.227 -15.000 5.797 1.00 0.00 C ATOM 1189 SD MET A 180 7.926 -16.321 6.805 1.00 0.00 S ATOM 1190 CE MET A 180 8.273 -15.441 8.325 1.00 0.00 C ATOM 0 H MET A 180 5.566 -14.542 3.199 1.00 0.00 H new ATOM 0 HA MET A 180 6.113 -16.977 4.495 1.00 0.00 H new ATOM 0 HB2 MET A 180 5.308 -14.192 5.306 1.00 0.00 H new ATOM 0 HB3 MET A 180 5.265 -15.457 6.517 1.00 0.00 H new ATOM 0 HG2 MET A 180 7.731 -14.980 4.831 1.00 0.00 H new ATOM 0 HG3 MET A 180 7.420 -14.041 6.277 1.00 0.00 H new ATOM 0 HE1 MET A 180 8.711 -16.127 9.051 1.00 0.00 H new ATOM 0 HE2 MET A 180 8.973 -14.630 8.124 1.00 0.00 H new ATOM 0 HE3 MET A 180 7.347 -15.030 8.727 1.00 0.00 H new ATOM 1200 N VAL A 181 2.920 -16.092 4.504 1.00 0.00 N ATOM 1201 CA VAL A 181 1.566 -16.609 4.736 1.00 0.00 C ATOM 1202 C VAL A 181 1.391 -17.952 4.031 1.00 0.00 C ATOM 1203 O VAL A 181 0.806 -18.885 4.585 1.00 0.00 O ATOM 1204 CB VAL A 181 0.470 -15.613 4.271 1.00 0.00 C ATOM 1205 CG1 VAL A 181 0.124 -15.794 2.800 1.00 0.00 C ATOM 1206 CG2 VAL A 181 -0.779 -15.764 5.127 1.00 0.00 C ATOM 0 H VAL A 181 2.951 -15.155 4.102 1.00 0.00 H new ATOM 0 HA VAL A 181 1.447 -16.743 5.811 1.00 0.00 H new ATOM 0 HB VAL A 181 0.870 -14.607 4.393 1.00 0.00 H new ATOM 0 HG11 VAL A 181 -0.647 -15.077 2.517 1.00 0.00 H new ATOM 0 HG12 VAL A 181 1.014 -15.628 2.194 1.00 0.00 H new ATOM 0 HG13 VAL A 181 -0.244 -16.807 2.635 1.00 0.00 H new ATOM 0 HG21 VAL A 181 -1.539 -15.059 4.789 1.00 0.00 H new ATOM 0 HG22 VAL A 181 -1.161 -16.781 5.037 1.00 0.00 H new ATOM 0 HG23 VAL A 181 -0.533 -15.560 6.169 1.00 0.00 H new ATOM 1216 N LEU A 182 1.943 -18.050 2.819 1.00 0.00 N ATOM 1217 CA LEU A 182 1.894 -19.287 2.048 1.00 0.00 C ATOM 1218 C LEU A 182 2.633 -20.393 2.801 1.00 0.00 C ATOM 1219 O LEU A 182 2.190 -21.543 2.831 1.00 0.00 O ATOM 1220 CB LEU A 182 2.509 -19.078 0.656 1.00 0.00 C ATOM 1221 CG LEU A 182 1.859 -19.879 -0.475 1.00 0.00 C ATOM 1222 CD1 LEU A 182 2.189 -21.357 -0.345 1.00 0.00 C ATOM 1223 CD2 LEU A 182 0.352 -19.671 -0.486 1.00 0.00 C ATOM 0 H LEU A 182 2.429 -17.284 2.353 1.00 0.00 H new ATOM 0 HA LEU A 182 0.853 -19.583 1.917 1.00 0.00 H new ATOM 0 HB2 LEU A 182 2.452 -18.018 0.407 1.00 0.00 H new ATOM 0 HB3 LEU A 182 3.567 -19.338 0.702 1.00 0.00 H new ATOM 0 HG LEU A 182 2.263 -19.517 -1.421 1.00 0.00 H new ATOM 0 HD11 LEU A 182 1.717 -21.908 -1.159 1.00 0.00 H new ATOM 0 HD12 LEU A 182 3.269 -21.494 -0.392 1.00 0.00 H new ATOM 0 HD13 LEU A 182 1.817 -21.730 0.609 1.00 0.00 H new ATOM 0 HD21 LEU A 182 -0.089 -20.249 -1.298 1.00 0.00 H new ATOM 0 HD22 LEU A 182 -0.068 -20.001 0.464 1.00 0.00 H new ATOM 0 HD23 LEU A 182 0.132 -18.614 -0.633 1.00 0.00 H new