USER MOD reduce.3.24.130724 H: found=0, std=0, add=622, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 624 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 11 TYR OH : rot 180:sc= -0.688 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot 89:sc= -1.6! USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.708 K(o=-0.71,f=-2.3) USER MOD Single : A 29 ASN : amide:sc= 1.13 K(o=1.1,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot -111:sc= -1.61 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc= -10.1! C(o=-10!,f=-11!) USER MOD Single : A 44 HIS : no HD1:sc= -0.0212 X(o=-0.021,f=-0.017) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -143:sc=-0.00248 (180deg=-1.31!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 25:sc= 0.295 USER MOD Single : A 78 MET CE :methyl -151:sc= -0.468 (180deg=-1.49) USER MOD Single : A 80 HIS : no HD1:sc= -0.595 K(o=-0.6,f=-0.015) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 170:sc= 0 USER MOD Single : A 89 HIS : no HD1:sc= -5.12! K(o=-5.1!,f=-3.8) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl 150:sc= -0.0449 (180deg=-0.83) USER MOD ----------------------------------------------------------------- ATOM 191 N TYR A 11 14.123 2.766 -2.290 1.00 0.00 N ATOM 192 CA TYR A 11 13.527 1.489 -2.662 1.00 0.00 C ATOM 193 C TYR A 11 12.113 1.363 -2.101 1.00 0.00 C ATOM 194 O TYR A 11 11.924 1.166 -0.901 1.00 0.00 O ATOM 195 CB TYR A 11 14.392 0.332 -2.158 1.00 0.00 C ATOM 196 CG TYR A 11 15.843 0.437 -2.571 1.00 0.00 C ATOM 197 CD1 TYR A 11 16.197 0.566 -3.908 1.00 0.00 C ATOM 198 CD2 TYR A 11 16.859 0.406 -1.624 1.00 0.00 C ATOM 199 CE1 TYR A 11 17.522 0.662 -4.290 1.00 0.00 C ATOM 200 CE2 TYR A 11 18.186 0.502 -1.996 1.00 0.00 C ATOM 201 CZ TYR A 11 18.512 0.630 -3.330 1.00 0.00 C ATOM 202 OH TYR A 11 19.833 0.724 -3.706 1.00 0.00 O ATOM 0 HA TYR A 11 13.472 1.446 -3.750 1.00 0.00 H new ATOM 0 HB2 TYR A 11 14.334 0.293 -1.070 1.00 0.00 H new ATOM 0 HB3 TYR A 11 13.983 -0.606 -2.533 1.00 0.00 H new ATOM 0 HD1 TYR A 11 15.424 0.592 -4.662 1.00 0.00 H new ATOM 0 HD2 TYR A 11 16.607 0.305 -0.579 1.00 0.00 H new ATOM 0 HE1 TYR A 11 17.781 0.761 -5.334 1.00 0.00 H new ATOM 0 HE2 TYR A 11 18.963 0.477 -1.247 1.00 0.00 H new ATOM 0 HH TYR A 11 20.403 0.687 -2.910 1.00 0.00 H new ATOM 212 N VAL A 12 11.123 1.478 -2.980 1.00 0.00 N ATOM 213 CA VAL A 12 9.726 1.376 -2.576 1.00 0.00 C ATOM 214 C VAL A 12 8.909 0.607 -3.608 1.00 0.00 C ATOM 215 O VAL A 12 9.256 0.573 -4.789 1.00 0.00 O ATOM 216 CB VAL A 12 9.097 2.767 -2.372 1.00 0.00 C ATOM 217 CG1 VAL A 12 7.607 2.644 -2.093 1.00 0.00 C ATOM 218 CG2 VAL A 12 9.800 3.509 -1.245 1.00 0.00 C ATOM 0 H VAL A 12 11.263 1.642 -3.977 1.00 0.00 H new ATOM 0 HA VAL A 12 9.710 0.836 -1.629 1.00 0.00 H new ATOM 0 HB VAL A 12 9.224 3.342 -3.289 1.00 0.00 H new ATOM 0 HG11 VAL A 12 7.180 3.637 -1.952 1.00 0.00 H new ATOM 0 HG12 VAL A 12 7.118 2.155 -2.936 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.453 2.051 -1.191 1.00 0.00 H new ATOM 0 HG21 VAL A 12 9.343 4.490 -1.114 1.00 0.00 H new ATOM 0 HG22 VAL A 12 9.707 2.939 -0.320 1.00 0.00 H new ATOM 0 HG23 VAL A 12 10.855 3.630 -1.492 1.00 0.00 H new ATOM 228 N VAL A 13 7.821 -0.008 -3.156 1.00 0.00 N ATOM 229 CA VAL A 13 6.953 -0.775 -4.041 1.00 0.00 C ATOM 230 C VAL A 13 5.484 -0.530 -3.718 1.00 0.00 C ATOM 231 O VAL A 13 5.119 -0.308 -2.563 1.00 0.00 O ATOM 232 CB VAL A 13 7.243 -2.285 -3.942 1.00 0.00 C ATOM 233 CG1 VAL A 13 8.635 -2.597 -4.471 1.00 0.00 C ATOM 234 CG2 VAL A 13 7.090 -2.763 -2.506 1.00 0.00 C ATOM 0 H VAL A 13 7.520 0.010 -2.182 1.00 0.00 H new ATOM 0 HA VAL A 13 7.160 -0.438 -5.057 1.00 0.00 H new ATOM 0 HB VAL A 13 6.519 -2.818 -4.558 1.00 0.00 H new ATOM 0 HG11 VAL A 13 8.822 -3.668 -4.393 1.00 0.00 H new ATOM 0 HG12 VAL A 13 8.704 -2.291 -5.515 1.00 0.00 H new ATOM 0 HG13 VAL A 13 9.377 -2.055 -3.884 1.00 0.00 H new ATOM 0 HG21 VAL A 13 7.298 -3.832 -2.454 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.790 -2.225 -1.867 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.071 -2.575 -2.167 1.00 0.00 H new ATOM 244 N LYS A 14 4.643 -0.571 -4.746 1.00 0.00 N ATOM 245 CA LYS A 14 3.211 -0.354 -4.573 1.00 0.00 C ATOM 246 C LYS A 14 2.432 -1.642 -4.822 1.00 0.00 C ATOM 247 O LYS A 14 2.583 -2.278 -5.866 1.00 0.00 O ATOM 248 CB LYS A 14 2.722 0.742 -5.521 1.00 0.00 C ATOM 249 CG LYS A 14 1.213 0.768 -5.695 1.00 0.00 C ATOM 250 CD LYS A 14 0.802 1.634 -6.874 1.00 0.00 C ATOM 251 CE LYS A 14 0.670 3.096 -6.472 1.00 0.00 C ATOM 252 NZ LYS A 14 0.500 3.983 -7.656 1.00 0.00 N ATOM 0 H LYS A 14 4.928 -0.753 -5.708 1.00 0.00 H new ATOM 0 HA LYS A 14 3.038 -0.039 -3.544 1.00 0.00 H new ATOM 0 HB2 LYS A 14 3.053 1.710 -5.145 1.00 0.00 H new ATOM 0 HB3 LYS A 14 3.189 0.602 -6.496 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.845 -0.247 -5.843 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.747 1.146 -4.785 1.00 0.00 H new ATOM 0 HD2 LYS A 14 1.540 1.540 -7.671 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.147 1.278 -7.275 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -0.184 3.214 -5.804 1.00 0.00 H new ATOM 0 HE3 LYS A 14 1.555 3.401 -5.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 0.414 4.970 -7.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 1.326 3.890 -8.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.359 3.709 -8.175 1.00 0.00 H new ATOM 266 N LEU A 15 1.599 -2.020 -3.859 1.00 0.00 N ATOM 267 CA LEU A 15 0.795 -3.231 -3.975 1.00 0.00 C ATOM 268 C LEU A 15 -0.662 -2.891 -4.274 1.00 0.00 C ATOM 269 O LEU A 15 -1.308 -2.166 -3.518 1.00 0.00 O ATOM 270 CB LEU A 15 0.884 -4.052 -2.687 1.00 0.00 C ATOM 271 CG LEU A 15 2.285 -4.513 -2.281 1.00 0.00 C ATOM 272 CD1 LEU A 15 2.269 -5.093 -0.876 1.00 0.00 C ATOM 273 CD2 LEU A 15 2.820 -5.532 -3.276 1.00 0.00 C ATOM 0 H LEU A 15 1.463 -1.505 -2.989 1.00 0.00 H new ATOM 0 HA LEU A 15 1.189 -3.821 -4.803 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.468 -3.459 -1.872 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.251 -4.932 -2.796 1.00 0.00 H new ATOM 0 HG LEU A 15 2.948 -3.648 -2.287 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.274 -5.416 -0.604 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.929 -4.333 -0.172 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.592 -5.947 -0.843 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.817 -5.849 -2.971 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.157 -6.397 -3.303 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.869 -5.081 -4.267 1.00 0.00 H new ATOM 285 N ARG A 16 -1.173 -3.421 -5.381 1.00 0.00 N ATOM 286 CA ARG A 16 -2.553 -3.175 -5.779 1.00 0.00 C ATOM 287 C ARG A 16 -3.361 -4.470 -5.772 1.00 0.00 C ATOM 288 O ARG A 16 -2.820 -5.552 -5.995 1.00 0.00 O ATOM 289 CB ARG A 16 -2.599 -2.540 -7.170 1.00 0.00 C ATOM 290 CG ARG A 16 -3.831 -1.682 -7.408 1.00 0.00 C ATOM 291 CD ARG A 16 -3.846 -1.106 -8.815 1.00 0.00 C ATOM 292 NE ARG A 16 -5.167 -0.607 -9.188 1.00 0.00 N ATOM 293 CZ ARG A 16 -5.568 -0.460 -10.446 1.00 0.00 C ATOM 294 NH1 ARG A 16 -4.756 -0.774 -11.446 1.00 0.00 N ATOM 295 NH2 ARG A 16 -6.786 0.000 -10.706 1.00 0.00 N ATOM 0 H ARG A 16 -0.651 -4.023 -6.018 1.00 0.00 H new ATOM 0 HA ARG A 16 -2.996 -2.488 -5.058 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -1.708 -1.928 -7.310 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -2.565 -3.329 -7.921 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -4.728 -2.280 -7.249 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -3.856 -0.870 -6.681 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.120 -0.296 -8.883 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.535 -1.873 -9.524 1.00 0.00 H new ATOM 0 HE ARG A 16 -5.817 -0.358 -8.442 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -3.820 -1.130 -11.251 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -5.067 -0.660 -12.411 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -7.415 0.241 -9.940 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -7.093 0.113 -11.672 1.00 0.00 H new ATOM 309 N GLY A 17 -4.660 -4.350 -5.514 1.00 0.00 N ATOM 310 CA GLY A 17 -5.520 -5.518 -5.482 1.00 0.00 C ATOM 311 C GLY A 17 -5.630 -6.120 -4.095 1.00 0.00 C ATOM 312 O GLY A 17 -6.157 -7.220 -3.927 1.00 0.00 O ATOM 0 H GLY A 17 -5.131 -3.465 -5.327 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.514 -5.243 -5.835 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.133 -6.269 -6.171 1.00 0.00 H new ATOM 316 N LEU A 18 -5.129 -5.399 -3.098 1.00 0.00 N ATOM 317 CA LEU A 18 -5.171 -5.869 -1.717 1.00 0.00 C ATOM 318 C LEU A 18 -6.603 -5.886 -1.192 1.00 0.00 C ATOM 319 O LEU A 18 -7.443 -5.073 -1.579 1.00 0.00 O ATOM 320 CB LEU A 18 -4.300 -4.979 -0.828 1.00 0.00 C ATOM 321 CG LEU A 18 -2.800 -5.003 -1.119 1.00 0.00 C ATOM 322 CD1 LEU A 18 -2.105 -3.835 -0.437 1.00 0.00 C ATOM 323 CD2 LEU A 18 -2.191 -6.324 -0.672 1.00 0.00 C ATOM 0 H LEU A 18 -4.689 -4.487 -3.220 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.782 -6.887 -1.693 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.651 -3.951 -0.921 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.453 -5.275 0.210 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.657 -4.906 -2.195 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.038 -3.869 -0.656 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.522 -2.898 -0.806 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.257 -3.900 0.640 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.122 -6.323 -0.887 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.345 -6.452 0.399 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.668 -7.144 -1.208 1.00 0.00 H new ATOM 335 N PRO A 19 -6.889 -6.834 -0.287 1.00 0.00 N ATOM 336 CA PRO A 19 -8.219 -6.978 0.314 1.00 0.00 C ATOM 337 C PRO A 19 -8.554 -5.833 1.262 1.00 0.00 C ATOM 338 O PRO A 19 -7.676 -5.297 1.939 1.00 0.00 O ATOM 339 CB PRO A 19 -8.119 -8.298 1.084 1.00 0.00 C ATOM 340 CG PRO A 19 -6.667 -8.453 1.382 1.00 0.00 C ATOM 341 CD PRO A 19 -5.938 -7.836 0.221 1.00 0.00 C ATOM 0 HA PRO A 19 -9.009 -6.965 -0.437 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -8.710 -8.268 1.999 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -8.493 -9.132 0.490 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -6.405 -7.956 2.316 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -6.402 -9.504 1.495 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -5.000 -7.377 0.534 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -5.692 -8.578 -0.539 1.00 0.00 H new ATOM 349 N TRP A 20 -9.829 -5.462 1.307 1.00 0.00 N ATOM 350 CA TRP A 20 -10.280 -4.379 2.174 1.00 0.00 C ATOM 351 C TRP A 20 -9.886 -4.642 3.623 1.00 0.00 C ATOM 352 O TRP A 20 -9.913 -3.737 4.457 1.00 0.00 O ATOM 353 CB TRP A 20 -11.796 -4.211 2.067 1.00 0.00 C ATOM 354 CG TRP A 20 -12.227 -3.471 0.837 1.00 0.00 C ATOM 355 CD1 TRP A 20 -11.525 -3.337 -0.327 1.00 0.00 C ATOM 356 CD2 TRP A 20 -13.456 -2.762 0.650 1.00 0.00 C ATOM 357 NE1 TRP A 20 -12.244 -2.587 -1.226 1.00 0.00 N ATOM 358 CE2 TRP A 20 -13.433 -2.223 -0.652 1.00 0.00 C ATOM 359 CE3 TRP A 20 -14.576 -2.531 1.454 1.00 0.00 C ATOM 360 CZ2 TRP A 20 -14.485 -1.468 -1.164 1.00 0.00 C ATOM 361 CZ3 TRP A 20 -15.619 -1.781 0.944 1.00 0.00 C ATOM 362 CH2 TRP A 20 -15.568 -1.258 -0.355 1.00 0.00 C ATOM 0 H TRP A 20 -10.568 -5.895 0.754 1.00 0.00 H new ATOM 0 HA TRP A 20 -9.796 -3.459 1.847 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -12.265 -5.195 2.073 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -12.158 -3.680 2.947 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -10.548 -3.759 -0.513 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -11.941 -2.341 -2.168 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -14.625 -2.931 2.456 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -14.447 -1.063 -2.164 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -16.488 -1.595 1.557 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -16.400 -0.678 -0.725 1.00 0.00 H new ATOM 373 N SER A 21 -9.519 -5.885 3.916 1.00 0.00 N ATOM 374 CA SER A 21 -9.122 -6.267 5.266 1.00 0.00 C ATOM 375 C SER A 21 -7.633 -6.593 5.324 1.00 0.00 C ATOM 376 O SER A 21 -7.178 -7.315 6.211 1.00 0.00 O ATOM 377 CB SER A 21 -9.938 -7.472 5.738 1.00 0.00 C ATOM 378 OG SER A 21 -10.107 -7.454 7.145 1.00 0.00 O ATOM 0 H SER A 21 -9.488 -6.645 3.237 1.00 0.00 H new ATOM 0 HA SER A 21 -9.317 -5.423 5.927 1.00 0.00 H new ATOM 0 HB2 SER A 21 -10.913 -7.468 5.251 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.437 -8.393 5.440 1.00 0.00 H new ATOM 0 HG SER A 21 -10.633 -8.233 7.421 1.00 0.00 H new ATOM 384 N CYS A 22 -6.879 -6.054 4.371 1.00 0.00 N ATOM 385 CA CYS A 22 -5.441 -6.287 4.311 1.00 0.00 C ATOM 386 C CYS A 22 -4.733 -5.619 5.486 1.00 0.00 C ATOM 387 O CYS A 22 -4.943 -4.438 5.760 1.00 0.00 O ATOM 388 CB CYS A 22 -4.873 -5.762 2.992 1.00 0.00 C ATOM 389 SG CYS A 22 -3.120 -6.131 2.745 1.00 0.00 S ATOM 0 H CYS A 22 -7.240 -5.453 3.630 1.00 0.00 H new ATOM 0 HA CYS A 22 -5.269 -7.362 4.370 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -5.443 -6.190 2.167 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -5.015 -4.682 2.952 1.00 0.00 H new ATOM 0 HG CYS A 22 -2.998 -7.287 2.164 1.00 0.00 H new ATOM 395 N SER A 23 -3.894 -6.384 6.177 1.00 0.00 N ATOM 396 CA SER A 23 -3.158 -5.868 7.325 1.00 0.00 C ATOM 397 C SER A 23 -1.654 -5.911 7.072 1.00 0.00 C ATOM 398 O SER A 23 -1.169 -6.731 6.292 1.00 0.00 O ATOM 399 CB SER A 23 -3.499 -6.675 8.580 1.00 0.00 C ATOM 400 OG SER A 23 -4.821 -6.408 9.015 1.00 0.00 O ATOM 0 H SER A 23 -3.707 -7.363 5.962 1.00 0.00 H new ATOM 0 HA SER A 23 -3.453 -4.830 7.477 1.00 0.00 H new ATOM 0 HB2 SER A 23 -3.389 -7.739 8.373 1.00 0.00 H new ATOM 0 HB3 SER A 23 -2.795 -6.431 9.375 1.00 0.00 H new ATOM 0 HG SER A 23 -5.015 -6.937 9.817 1.00 0.00 H new ATOM 406 N ILE A 24 -0.923 -5.023 7.736 1.00 0.00 N ATOM 407 CA ILE A 24 0.525 -4.959 7.584 1.00 0.00 C ATOM 408 C ILE A 24 1.138 -6.356 7.571 1.00 0.00 C ATOM 409 O ILE A 24 2.040 -6.641 6.785 1.00 0.00 O ATOM 410 CB ILE A 24 1.174 -4.136 8.712 1.00 0.00 C ATOM 411 CG1 ILE A 24 0.719 -2.677 8.635 1.00 0.00 C ATOM 412 CG2 ILE A 24 2.691 -4.229 8.630 1.00 0.00 C ATOM 413 CD1 ILE A 24 1.030 -1.880 9.882 1.00 0.00 C ATOM 0 H ILE A 24 -1.310 -4.337 8.385 1.00 0.00 H new ATOM 0 HA ILE A 24 0.721 -4.469 6.630 1.00 0.00 H new ATOM 0 HB ILE A 24 0.856 -4.546 9.671 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.198 -2.200 7.780 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -0.356 -2.649 8.454 1.00 0.00 H new ATOM 0 HG21 ILE A 24 3.135 -3.642 9.434 1.00 0.00 H new ATOM 0 HG22 ILE A 24 2.998 -5.270 8.729 1.00 0.00 H new ATOM 0 HG23 ILE A 24 3.028 -3.841 7.669 1.00 0.00 H new ATOM 0 HD11 ILE A 24 0.679 -0.856 9.756 1.00 0.00 H new ATOM 0 HD12 ILE A 24 0.529 -2.333 10.738 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.107 -1.877 10.053 1.00 0.00 H new ATOM 425 N GLU A 25 0.640 -7.222 8.448 1.00 0.00 N ATOM 426 CA GLU A 25 1.139 -8.590 8.537 1.00 0.00 C ATOM 427 C GLU A 25 1.063 -9.285 7.181 1.00 0.00 C ATOM 428 O GLU A 25 2.044 -9.863 6.711 1.00 0.00 O ATOM 429 CB GLU A 25 0.340 -9.381 9.574 1.00 0.00 C ATOM 430 CG GLU A 25 0.871 -9.238 10.990 1.00 0.00 C ATOM 431 CD GLU A 25 -0.179 -9.545 12.041 1.00 0.00 C ATOM 432 OE1 GLU A 25 -0.832 -10.604 11.935 1.00 0.00 O ATOM 433 OE2 GLU A 25 -0.346 -8.726 12.969 1.00 0.00 O ATOM 0 H GLU A 25 -0.107 -7.001 9.106 1.00 0.00 H new ATOM 0 HA GLU A 25 2.183 -8.550 8.847 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.698 -9.051 9.549 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.346 -10.435 9.298 1.00 0.00 H new ATOM 0 HG2 GLU A 25 1.721 -9.907 11.125 1.00 0.00 H new ATOM 0 HG3 GLU A 25 1.239 -8.222 11.135 1.00 0.00 H new ATOM 440 N ASP A 26 -0.108 -9.227 6.557 1.00 0.00 N ATOM 441 CA ASP A 26 -0.313 -9.850 5.255 1.00 0.00 C ATOM 442 C ASP A 26 0.688 -9.318 4.234 1.00 0.00 C ATOM 443 O ASP A 26 1.174 -10.060 3.380 1.00 0.00 O ATOM 444 CB ASP A 26 -1.741 -9.601 4.766 1.00 0.00 C ATOM 445 CG ASP A 26 -2.722 -10.627 5.297 1.00 0.00 C ATOM 446 OD1 ASP A 26 -2.829 -11.715 4.692 1.00 0.00 O ATOM 447 OD2 ASP A 26 -3.384 -10.343 6.317 1.00 0.00 O ATOM 0 H ASP A 26 -0.930 -8.754 6.932 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.157 -10.923 5.365 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -2.059 -8.605 5.074 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -1.757 -9.618 3.676 1.00 0.00 H new ATOM 452 N VAL A 27 0.990 -8.027 4.327 1.00 0.00 N ATOM 453 CA VAL A 27 1.933 -7.395 3.411 1.00 0.00 C ATOM 454 C VAL A 27 3.361 -7.850 3.692 1.00 0.00 C ATOM 455 O VAL A 27 4.101 -8.205 2.775 1.00 0.00 O ATOM 456 CB VAL A 27 1.867 -5.859 3.509 1.00 0.00 C ATOM 457 CG1 VAL A 27 2.838 -5.219 2.529 1.00 0.00 C ATOM 458 CG2 VAL A 27 0.447 -5.371 3.262 1.00 0.00 C ATOM 0 H VAL A 27 0.596 -7.398 5.027 1.00 0.00 H new ATOM 0 HA VAL A 27 1.649 -7.700 2.404 1.00 0.00 H new ATOM 0 HB VAL A 27 2.159 -5.563 4.517 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.777 -4.134 2.613 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.853 -5.544 2.758 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.581 -5.519 1.513 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.418 -4.284 3.335 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.125 -5.677 2.266 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.221 -5.803 4.008 1.00 0.00 H new ATOM 468 N GLN A 28 3.740 -7.836 4.966 1.00 0.00 N ATOM 469 CA GLN A 28 5.080 -8.248 5.368 1.00 0.00 C ATOM 470 C GLN A 28 5.386 -9.660 4.879 1.00 0.00 C ATOM 471 O GLN A 28 6.442 -9.912 4.301 1.00 0.00 O ATOM 472 CB GLN A 28 5.223 -8.180 6.889 1.00 0.00 C ATOM 473 CG GLN A 28 5.435 -6.771 7.418 1.00 0.00 C ATOM 474 CD GLN A 28 5.625 -6.734 8.922 1.00 0.00 C ATOM 475 OE1 GLN A 28 4.688 -6.974 9.683 1.00 0.00 O ATOM 476 NE2 GLN A 28 6.842 -6.433 9.357 1.00 0.00 N ATOM 0 H GLN A 28 3.139 -7.544 5.737 1.00 0.00 H new ATOM 0 HA GLN A 28 5.795 -7.563 4.912 1.00 0.00 H new ATOM 0 HB2 GLN A 28 4.329 -8.601 7.349 1.00 0.00 H new ATOM 0 HB3 GLN A 28 6.063 -8.804 7.195 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.308 -6.333 6.935 1.00 0.00 H new ATOM 0 HG3 GLN A 28 4.578 -6.153 7.149 1.00 0.00 H new ATOM 0 HE21 GLN A 28 7.589 -6.241 8.690 1.00 0.00 H new ATOM 0 HE22 GLN A 28 7.030 -6.393 10.359 1.00 0.00 H new ATOM 485 N ASN A 29 4.454 -10.577 5.116 1.00 0.00 N ATOM 486 CA ASN A 29 4.624 -11.965 4.700 1.00 0.00 C ATOM 487 C ASN A 29 4.649 -12.078 3.179 1.00 0.00 C ATOM 488 O ASN A 29 5.432 -12.843 2.615 1.00 0.00 O ATOM 489 CB ASN A 29 3.498 -12.831 5.269 1.00 0.00 C ATOM 490 CG ASN A 29 3.703 -13.155 6.736 1.00 0.00 C ATOM 491 OD1 ASN A 29 4.235 -14.210 7.082 1.00 0.00 O ATOM 492 ND2 ASN A 29 3.279 -12.247 7.607 1.00 0.00 N ATOM 0 H ASN A 29 3.574 -10.385 5.594 1.00 0.00 H new ATOM 0 HA ASN A 29 5.578 -12.320 5.088 1.00 0.00 H new ATOM 0 HB2 ASN A 29 2.547 -12.314 5.143 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.434 -13.759 4.700 1.00 0.00 H new ATOM 0 HD21 ASN A 29 3.389 -12.410 8.608 1.00 0.00 H new ATOM 0 HD22 ASN A 29 2.844 -11.386 7.275 1.00 0.00 H new ATOM 499 N PHE A 30 3.787 -11.311 2.520 1.00 0.00 N ATOM 500 CA PHE A 30 3.710 -11.324 1.064 1.00 0.00 C ATOM 501 C PHE A 30 5.064 -10.993 0.444 1.00 0.00 C ATOM 502 O PHE A 30 5.538 -11.693 -0.452 1.00 0.00 O ATOM 503 CB PHE A 30 2.656 -10.327 0.578 1.00 0.00 C ATOM 504 CG PHE A 30 2.562 -10.235 -0.918 1.00 0.00 C ATOM 505 CD1 PHE A 30 3.532 -9.567 -1.647 1.00 0.00 C ATOM 506 CD2 PHE A 30 1.503 -10.818 -1.595 1.00 0.00 C ATOM 507 CE1 PHE A 30 3.447 -9.480 -3.024 1.00 0.00 C ATOM 508 CE2 PHE A 30 1.413 -10.735 -2.972 1.00 0.00 C ATOM 509 CZ PHE A 30 2.386 -10.066 -3.687 1.00 0.00 C ATOM 0 H PHE A 30 3.132 -10.673 2.971 1.00 0.00 H new ATOM 0 HA PHE A 30 3.422 -12.327 0.750 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.684 -10.615 0.978 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.887 -9.341 0.981 1.00 0.00 H new ATOM 0 HD1 PHE A 30 4.364 -9.109 -1.134 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.739 -11.343 -1.041 1.00 0.00 H new ATOM 0 HE1 PHE A 30 4.209 -8.955 -3.581 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.582 -11.193 -3.488 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.318 -10.001 -4.763 1.00 0.00 H new ATOM 519 N LEU A 31 5.682 -9.921 0.927 1.00 0.00 N ATOM 520 CA LEU A 31 6.982 -9.495 0.421 1.00 0.00 C ATOM 521 C LEU A 31 8.112 -10.071 1.268 1.00 0.00 C ATOM 522 O LEU A 31 9.100 -9.392 1.547 1.00 0.00 O ATOM 523 CB LEU A 31 7.070 -7.968 0.404 1.00 0.00 C ATOM 524 CG LEU A 31 6.144 -7.253 -0.580 1.00 0.00 C ATOM 525 CD1 LEU A 31 6.366 -5.749 -0.526 1.00 0.00 C ATOM 526 CD2 LEU A 31 6.361 -7.775 -1.993 1.00 0.00 C ATOM 0 H LEU A 31 5.304 -9.331 1.668 1.00 0.00 H new ATOM 0 HA LEU A 31 7.088 -9.870 -0.597 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.854 -7.601 1.407 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.098 -7.686 0.175 1.00 0.00 H new ATOM 0 HG LEU A 31 5.113 -7.458 -0.293 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.698 -5.257 -1.233 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.159 -5.387 0.481 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.400 -5.524 -0.787 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.693 -7.255 -2.680 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.395 -7.601 -2.290 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.150 -8.844 -2.022 1.00 0.00 H new ATOM 538 N SER A 32 7.960 -11.328 1.672 1.00 0.00 N ATOM 539 CA SER A 32 8.966 -11.996 2.489 1.00 0.00 C ATOM 540 C SER A 32 10.328 -11.973 1.800 1.00 0.00 C ATOM 541 O SER A 32 11.323 -11.540 2.383 1.00 0.00 O ATOM 542 CB SER A 32 8.549 -13.441 2.770 1.00 0.00 C ATOM 543 OG SER A 32 9.542 -14.122 3.517 1.00 0.00 O ATOM 0 H SER A 32 7.149 -11.905 1.447 1.00 0.00 H new ATOM 0 HA SER A 32 9.046 -11.458 3.434 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.607 -13.451 3.318 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.376 -13.963 1.829 1.00 0.00 H new ATOM 0 HG SER A 32 9.251 -15.043 3.685 1.00 0.00 H new ATOM 549 N ASP A 33 10.363 -12.440 0.558 1.00 0.00 N ATOM 550 CA ASP A 33 11.601 -12.473 -0.212 1.00 0.00 C ATOM 551 C ASP A 33 12.326 -11.133 -0.132 1.00 0.00 C ATOM 552 O ASP A 33 13.535 -11.056 -0.352 1.00 0.00 O ATOM 553 CB ASP A 33 11.309 -12.822 -1.673 1.00 0.00 C ATOM 554 CG ASP A 33 10.875 -14.264 -1.847 1.00 0.00 C ATOM 555 OD1 ASP A 33 9.666 -14.542 -1.701 1.00 0.00 O ATOM 556 OD2 ASP A 33 11.743 -15.115 -2.131 1.00 0.00 O ATOM 0 H ASP A 33 9.548 -12.801 0.062 1.00 0.00 H new ATOM 0 HA ASP A 33 12.246 -13.241 0.215 1.00 0.00 H new ATOM 0 HB2 ASP A 33 10.529 -12.162 -2.052 1.00 0.00 H new ATOM 0 HB3 ASP A 33 12.201 -12.639 -2.273 1.00 0.00 H new ATOM 561 N CYS A 34 11.579 -10.080 0.182 1.00 0.00 N ATOM 562 CA CYS A 34 12.151 -8.743 0.290 1.00 0.00 C ATOM 563 C CYS A 34 12.343 -8.349 1.751 1.00 0.00 C ATOM 564 O CYS A 34 11.673 -8.875 2.640 1.00 0.00 O ATOM 565 CB CYS A 34 11.252 -7.724 -0.412 1.00 0.00 C ATOM 566 SG CYS A 34 10.972 -8.069 -2.164 1.00 0.00 S ATOM 0 H CYS A 34 10.577 -10.126 0.366 1.00 0.00 H new ATOM 0 HA CYS A 34 13.127 -8.752 -0.195 1.00 0.00 H new ATOM 0 HB2 CYS A 34 10.290 -7.692 0.099 1.00 0.00 H new ATOM 0 HB3 CYS A 34 11.698 -6.734 -0.315 1.00 0.00 H new ATOM 0 HG CYS A 34 11.566 -7.164 -2.885 1.00 0.00 H new ATOM 572 N THR A 35 13.263 -7.420 1.992 1.00 0.00 N ATOM 573 CA THR A 35 13.546 -6.958 3.345 1.00 0.00 C ATOM 574 C THR A 35 12.953 -5.575 3.589 1.00 0.00 C ATOM 575 O THR A 35 13.611 -4.559 3.363 1.00 0.00 O ATOM 576 CB THR A 35 15.061 -6.910 3.617 1.00 0.00 C ATOM 577 OG1 THR A 35 15.638 -8.204 3.412 1.00 0.00 O ATOM 578 CG2 THR A 35 15.341 -6.444 5.038 1.00 0.00 C ATOM 0 H THR A 35 13.825 -6.973 1.267 1.00 0.00 H new ATOM 0 HA THR A 35 13.085 -7.673 4.026 1.00 0.00 H new ATOM 0 HB THR A 35 15.509 -6.199 2.923 1.00 0.00 H new ATOM 0 HG1 THR A 35 16.602 -8.164 3.585 1.00 0.00 H new ATOM 0 HG21 THR A 35 16.418 -6.418 5.207 1.00 0.00 H new ATOM 0 HG22 THR A 35 14.927 -5.446 5.182 1.00 0.00 H new ATOM 0 HG23 THR A 35 14.879 -7.134 5.745 1.00 0.00 H new ATOM 586 N ILE A 36 11.708 -5.543 4.050 1.00 0.00 N ATOM 587 CA ILE A 36 11.027 -4.284 4.326 1.00 0.00 C ATOM 588 C ILE A 36 11.802 -3.451 5.341 1.00 0.00 C ATOM 589 O ILE A 36 12.259 -3.965 6.363 1.00 0.00 O ATOM 590 CB ILE A 36 9.600 -4.519 4.854 1.00 0.00 C ATOM 591 CG1 ILE A 36 8.760 -5.255 3.808 1.00 0.00 C ATOM 592 CG2 ILE A 36 8.949 -3.196 5.228 1.00 0.00 C ATOM 593 CD1 ILE A 36 7.516 -5.901 4.377 1.00 0.00 C ATOM 0 H ILE A 36 11.150 -6.375 4.241 1.00 0.00 H new ATOM 0 HA ILE A 36 10.971 -3.742 3.382 1.00 0.00 H new ATOM 0 HB ILE A 36 9.657 -5.139 5.748 1.00 0.00 H new ATOM 0 HG12 ILE A 36 8.470 -4.552 3.027 1.00 0.00 H new ATOM 0 HG13 ILE A 36 9.374 -6.022 3.335 1.00 0.00 H new ATOM 0 HG21 ILE A 36 7.941 -3.379 5.599 1.00 0.00 H new ATOM 0 HG22 ILE A 36 9.538 -2.707 6.004 1.00 0.00 H new ATOM 0 HG23 ILE A 36 8.901 -2.553 4.349 1.00 0.00 H new ATOM 0 HD11 ILE A 36 6.970 -6.404 3.579 1.00 0.00 H new ATOM 0 HD12 ILE A 36 7.799 -6.629 5.138 1.00 0.00 H new ATOM 0 HD13 ILE A 36 6.881 -5.136 4.825 1.00 0.00 H new ATOM 605 N HIS A 37 11.946 -2.161 5.054 1.00 0.00 N ATOM 606 CA HIS A 37 12.664 -1.255 5.944 1.00 0.00 C ATOM 607 C HIS A 37 11.825 -0.924 7.174 1.00 0.00 C ATOM 608 O HIS A 37 10.716 -0.401 7.059 1.00 0.00 O ATOM 609 CB HIS A 37 13.037 0.030 5.205 1.00 0.00 C ATOM 610 CG HIS A 37 13.183 1.218 6.105 1.00 0.00 C ATOM 611 ND1 HIS A 37 14.404 1.680 6.550 1.00 0.00 N ATOM 612 CD2 HIS A 37 12.252 2.041 6.643 1.00 0.00 C ATOM 613 CE1 HIS A 37 14.217 2.735 7.323 1.00 0.00 C ATOM 614 NE2 HIS A 37 12.921 2.974 7.396 1.00 0.00 N ATOM 0 H HIS A 37 11.575 -1.720 4.213 1.00 0.00 H new ATOM 0 HA HIS A 37 13.576 -1.754 6.272 1.00 0.00 H new ATOM 0 HB2 HIS A 37 13.973 -0.127 4.670 1.00 0.00 H new ATOM 0 HB3 HIS A 37 12.274 0.243 4.456 1.00 0.00 H new ATOM 0 HD2 HIS A 37 11.183 1.976 6.505 1.00 0.00 H new ATOM 0 HE1 HIS A 37 14.993 3.305 7.812 1.00 0.00 H new ATOM 0 HE2 HIS A 37 12.487 3.730 7.926 1.00 0.00 H new ATOM 623 N ASP A 38 12.361 -1.231 8.350 1.00 0.00 N ATOM 624 CA ASP A 38 11.662 -0.965 9.602 1.00 0.00 C ATOM 625 C ASP A 38 10.414 -1.834 9.723 1.00 0.00 C ATOM 626 O ASP A 38 9.464 -1.481 10.420 1.00 0.00 O ATOM 627 CB ASP A 38 11.279 0.513 9.693 1.00 0.00 C ATOM 628 CG ASP A 38 12.469 1.432 9.501 1.00 0.00 C ATOM 629 OD1 ASP A 38 13.523 0.949 9.036 1.00 0.00 O ATOM 630 OD2 ASP A 38 12.347 2.635 9.815 1.00 0.00 O ATOM 0 H ASP A 38 13.277 -1.664 8.463 1.00 0.00 H new ATOM 0 HA ASP A 38 12.335 -1.210 10.424 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.525 0.737 8.938 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.825 0.709 10.665 1.00 0.00 H new ATOM 635 N GLY A 39 10.424 -2.973 9.037 1.00 0.00 N ATOM 636 CA GLY A 39 9.287 -3.875 9.079 1.00 0.00 C ATOM 637 C GLY A 39 7.962 -3.139 9.056 1.00 0.00 C ATOM 638 O GLY A 39 7.738 -2.276 8.207 1.00 0.00 O ATOM 0 H GLY A 39 11.199 -3.287 8.453 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.336 -4.556 8.229 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.344 -4.485 9.980 1.00 0.00 H new ATOM 642 N VAL A 40 7.081 -3.481 9.990 1.00 0.00 N ATOM 643 CA VAL A 40 5.770 -2.847 10.073 1.00 0.00 C ATOM 644 C VAL A 40 5.880 -1.335 9.908 1.00 0.00 C ATOM 645 O VAL A 40 4.963 -0.688 9.404 1.00 0.00 O ATOM 646 CB VAL A 40 5.080 -3.158 11.414 1.00 0.00 C ATOM 647 CG1 VAL A 40 4.793 -4.646 11.535 1.00 0.00 C ATOM 648 CG2 VAL A 40 5.935 -2.675 12.577 1.00 0.00 C ATOM 0 H VAL A 40 7.251 -4.193 10.700 1.00 0.00 H new ATOM 0 HA VAL A 40 5.168 -3.255 9.261 1.00 0.00 H new ATOM 0 HB VAL A 40 4.129 -2.626 11.446 1.00 0.00 H new ATOM 0 HG11 VAL A 40 4.305 -4.846 12.489 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.139 -4.958 10.721 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.729 -5.203 11.482 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.433 -2.903 13.517 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.902 -3.178 12.551 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.084 -1.598 12.497 1.00 0.00 H new ATOM 658 N ALA A 41 7.008 -0.779 10.337 1.00 0.00 N ATOM 659 CA ALA A 41 7.239 0.657 10.235 1.00 0.00 C ATOM 660 C ALA A 41 7.747 1.033 8.848 1.00 0.00 C ATOM 661 O ALA A 41 8.393 2.066 8.672 1.00 0.00 O ATOM 662 CB ALA A 41 8.224 1.110 11.302 1.00 0.00 C ATOM 0 H ALA A 41 7.776 -1.301 10.759 1.00 0.00 H new ATOM 0 HA ALA A 41 6.289 1.166 10.395 1.00 0.00 H new ATOM 0 HB1 ALA A 41 8.387 2.184 11.214 1.00 0.00 H new ATOM 0 HB2 ALA A 41 7.821 0.884 12.289 1.00 0.00 H new ATOM 0 HB3 ALA A 41 9.171 0.587 11.169 1.00 0.00 H new ATOM 668 N GLY A 42 7.452 0.189 7.864 1.00 0.00 N ATOM 669 CA GLY A 42 7.888 0.451 6.505 1.00 0.00 C ATOM 670 C GLY A 42 6.766 0.300 5.497 1.00 0.00 C ATOM 671 O GLY A 42 6.899 0.710 4.344 1.00 0.00 O ATOM 0 H GLY A 42 6.918 -0.672 7.984 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.293 1.461 6.445 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.697 -0.232 6.248 1.00 0.00 H new ATOM 675 N VAL A 43 5.658 -0.291 5.931 1.00 0.00 N ATOM 676 CA VAL A 43 4.508 -0.496 5.058 1.00 0.00 C ATOM 677 C VAL A 43 3.496 0.634 5.209 1.00 0.00 C ATOM 678 O VAL A 43 3.179 1.054 6.322 1.00 0.00 O ATOM 679 CB VAL A 43 3.811 -1.837 5.353 1.00 0.00 C ATOM 680 CG1 VAL A 43 2.592 -2.013 4.460 1.00 0.00 C ATOM 681 CG2 VAL A 43 4.784 -2.993 5.174 1.00 0.00 C ATOM 0 H VAL A 43 5.532 -0.637 6.882 1.00 0.00 H new ATOM 0 HA VAL A 43 4.885 -0.509 4.035 1.00 0.00 H new ATOM 0 HB VAL A 43 3.475 -1.832 6.390 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.112 -2.966 4.683 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.888 -1.201 4.642 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.901 -1.998 3.415 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.275 -3.933 5.386 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.152 -3.003 4.148 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.623 -2.872 5.859 1.00 0.00 H new ATOM 691 N HIS A 44 2.990 1.123 4.081 1.00 0.00 N ATOM 692 CA HIS A 44 2.012 2.205 4.087 1.00 0.00 C ATOM 693 C HIS A 44 0.807 1.852 3.220 1.00 0.00 C ATOM 694 O HIS A 44 0.956 1.441 2.069 1.00 0.00 O ATOM 695 CB HIS A 44 2.651 3.502 3.590 1.00 0.00 C ATOM 696 CG HIS A 44 3.911 3.864 4.313 1.00 0.00 C ATOM 697 ND1 HIS A 44 3.941 4.732 5.384 1.00 0.00 N ATOM 698 CD2 HIS A 44 5.191 3.470 4.114 1.00 0.00 C ATOM 699 CE1 HIS A 44 5.185 4.857 5.812 1.00 0.00 C ATOM 700 NE2 HIS A 44 5.963 4.100 5.059 1.00 0.00 N ATOM 0 H HIS A 44 3.241 0.787 3.151 1.00 0.00 H new ATOM 0 HA HIS A 44 1.671 2.348 5.112 1.00 0.00 H new ATOM 0 HB2 HIS A 44 2.867 3.406 2.526 1.00 0.00 H new ATOM 0 HB3 HIS A 44 1.933 4.315 3.698 1.00 0.00 H new ATOM 0 HD2 HIS A 44 5.540 2.787 3.353 1.00 0.00 H new ATOM 0 HE1 HIS A 44 5.510 5.473 6.637 1.00 0.00 H new ATOM 0 HE2 HIS A 44 6.973 4.000 5.163 1.00 0.00 H new ATOM 709 N PHE A 45 -0.387 2.016 3.780 1.00 0.00 N ATOM 710 CA PHE A 45 -1.618 1.713 3.059 1.00 0.00 C ATOM 711 C PHE A 45 -2.254 2.987 2.511 1.00 0.00 C ATOM 712 O PHE A 45 -1.973 4.088 2.986 1.00 0.00 O ATOM 713 CB PHE A 45 -2.606 0.989 3.975 1.00 0.00 C ATOM 714 CG PHE A 45 -2.277 -0.461 4.185 1.00 0.00 C ATOM 715 CD1 PHE A 45 -1.295 -0.839 5.086 1.00 0.00 C ATOM 716 CD2 PHE A 45 -2.951 -1.447 3.482 1.00 0.00 C ATOM 717 CE1 PHE A 45 -0.990 -2.173 5.280 1.00 0.00 C ATOM 718 CE2 PHE A 45 -2.650 -2.783 3.672 1.00 0.00 C ATOM 719 CZ PHE A 45 -1.669 -3.146 4.573 1.00 0.00 C ATOM 0 H PHE A 45 -0.528 2.357 4.731 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.368 1.063 2.221 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.628 1.492 4.942 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.607 1.068 3.551 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -0.762 -0.083 5.643 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.721 -1.168 2.777 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.221 -2.454 5.984 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -3.181 -3.541 3.116 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.433 -4.189 4.725 1.00 0.00 H new ATOM 729 N ILE A 46 -3.112 2.829 1.509 1.00 0.00 N ATOM 730 CA ILE A 46 -3.789 3.966 0.897 1.00 0.00 C ATOM 731 C ILE A 46 -5.271 3.981 1.255 1.00 0.00 C ATOM 732 O ILE A 46 -5.895 2.930 1.406 1.00 0.00 O ATOM 733 CB ILE A 46 -3.643 3.949 -0.636 1.00 0.00 C ATOM 734 CG1 ILE A 46 -2.174 3.779 -1.029 1.00 0.00 C ATOM 735 CG2 ILE A 46 -4.213 5.225 -1.237 1.00 0.00 C ATOM 736 CD1 ILE A 46 -1.327 4.999 -0.741 1.00 0.00 C ATOM 0 H ILE A 46 -3.355 1.925 1.104 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.314 4.865 1.289 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.205 3.102 -1.030 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.760 2.924 -0.494 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.115 3.548 -2.093 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -4.102 5.198 -2.321 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -5.270 5.307 -0.982 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.676 6.086 -0.839 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -0.298 4.807 -1.045 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.717 5.852 -1.297 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.356 5.218 0.326 1.00 0.00 H new ATOM 881 N GLY A 55 -7.246 0.007 -1.409 1.00 0.00 N ATOM 882 CA GLY A 55 -6.515 -1.227 -1.631 1.00 0.00 C ATOM 883 C GLY A 55 -5.032 -0.992 -1.838 1.00 0.00 C ATOM 884 O GLY A 55 -4.202 -1.752 -1.339 1.00 0.00 O ATOM 0 HA2 GLY A 55 -6.659 -1.890 -0.778 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.924 -1.737 -2.503 1.00 0.00 H new ATOM 888 N GLU A 56 -4.698 0.061 -2.578 1.00 0.00 N ATOM 889 CA GLU A 56 -3.305 0.390 -2.852 1.00 0.00 C ATOM 890 C GLU A 56 -2.527 0.587 -1.553 1.00 0.00 C ATOM 891 O GLU A 56 -3.036 1.166 -0.594 1.00 0.00 O ATOM 892 CB GLU A 56 -3.215 1.654 -3.709 1.00 0.00 C ATOM 893 CG GLU A 56 -3.571 1.426 -5.169 1.00 0.00 C ATOM 894 CD GLU A 56 -4.085 2.681 -5.847 1.00 0.00 C ATOM 895 OE1 GLU A 56 -5.127 3.209 -5.405 1.00 0.00 O ATOM 896 OE2 GLU A 56 -3.446 3.135 -6.819 1.00 0.00 O ATOM 0 H GLU A 56 -5.373 0.700 -2.998 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.863 -0.443 -3.398 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.881 2.411 -3.295 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.202 2.052 -3.649 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.691 1.064 -5.701 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.328 0.645 -5.237 1.00 0.00 H new ATOM 903 N ALA A 57 -1.291 0.100 -1.531 1.00 0.00 N ATOM 904 CA ALA A 57 -0.442 0.223 -0.353 1.00 0.00 C ATOM 905 C ALA A 57 1.032 0.107 -0.724 1.00 0.00 C ATOM 906 O ALA A 57 1.456 -0.882 -1.323 1.00 0.00 O ATOM 907 CB ALA A 57 -0.814 -0.833 0.678 1.00 0.00 C ATOM 0 H ALA A 57 -0.855 -0.384 -2.316 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.604 1.210 0.080 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -0.172 -0.730 1.553 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.855 -0.702 0.974 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.682 -1.825 0.246 1.00 0.00 H new ATOM 913 N PHE A 58 1.810 1.123 -0.364 1.00 0.00 N ATOM 914 CA PHE A 58 3.238 1.135 -0.661 1.00 0.00 C ATOM 915 C PHE A 58 4.022 0.381 0.409 1.00 0.00 C ATOM 916 O PHE A 58 3.550 0.204 1.532 1.00 0.00 O ATOM 917 CB PHE A 58 3.746 2.575 -0.763 1.00 0.00 C ATOM 918 CG PHE A 58 3.142 3.345 -1.901 1.00 0.00 C ATOM 919 CD1 PHE A 58 1.799 3.686 -1.889 1.00 0.00 C ATOM 920 CD2 PHE A 58 3.916 3.728 -2.984 1.00 0.00 C ATOM 921 CE1 PHE A 58 1.240 4.394 -2.936 1.00 0.00 C ATOM 922 CE2 PHE A 58 3.363 4.437 -4.034 1.00 0.00 C ATOM 923 CZ PHE A 58 2.023 4.771 -4.009 1.00 0.00 C ATOM 0 H PHE A 58 1.476 1.948 0.134 1.00 0.00 H new ATOM 0 HA PHE A 58 3.390 0.635 -1.617 1.00 0.00 H new ATOM 0 HB2 PHE A 58 3.531 3.094 0.171 1.00 0.00 H new ATOM 0 HB3 PHE A 58 4.830 2.562 -0.879 1.00 0.00 H new ATOM 0 HD1 PHE A 58 1.182 3.395 -1.052 1.00 0.00 H new ATOM 0 HD2 PHE A 58 4.964 3.470 -3.008 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.192 4.652 -2.915 1.00 0.00 H new ATOM 0 HE2 PHE A 58 3.978 4.729 -4.873 1.00 0.00 H new ATOM 0 HZ PHE A 58 1.588 5.326 -4.827 1.00 0.00 H new ATOM 933 N VAL A 59 5.223 -0.062 0.052 1.00 0.00 N ATOM 934 CA VAL A 59 6.075 -0.796 0.980 1.00 0.00 C ATOM 935 C VAL A 59 7.538 -0.404 0.812 1.00 0.00 C ATOM 936 O VAL A 59 8.078 -0.446 -0.293 1.00 0.00 O ATOM 937 CB VAL A 59 5.936 -2.318 0.784 1.00 0.00 C ATOM 938 CG1 VAL A 59 6.865 -3.064 1.730 1.00 0.00 C ATOM 939 CG2 VAL A 59 4.493 -2.752 0.989 1.00 0.00 C ATOM 0 H VAL A 59 5.628 0.075 -0.874 1.00 0.00 H new ATOM 0 HA VAL A 59 5.746 -0.535 1.986 1.00 0.00 H new ATOM 0 HB VAL A 59 6.223 -2.563 -0.239 1.00 0.00 H new ATOM 0 HG11 VAL A 59 6.754 -4.138 1.578 1.00 0.00 H new ATOM 0 HG12 VAL A 59 7.897 -2.774 1.530 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.611 -2.815 2.760 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.413 -3.830 0.847 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.176 -2.495 2.000 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.854 -2.243 0.268 1.00 0.00 H new ATOM 949 N GLU A 60 8.174 -0.023 1.915 1.00 0.00 N ATOM 950 CA GLU A 60 9.576 0.377 1.889 1.00 0.00 C ATOM 951 C GLU A 60 10.491 -0.840 1.988 1.00 0.00 C ATOM 952 O GLU A 60 10.167 -1.822 2.657 1.00 0.00 O ATOM 953 CB GLU A 60 9.874 1.348 3.033 1.00 0.00 C ATOM 954 CG GLU A 60 9.631 2.804 2.675 1.00 0.00 C ATOM 955 CD GLU A 60 10.852 3.468 2.068 1.00 0.00 C ATOM 956 OE1 GLU A 60 11.642 2.762 1.407 1.00 0.00 O ATOM 957 OE2 GLU A 60 11.017 4.691 2.255 1.00 0.00 O ATOM 0 H GLU A 60 7.741 0.017 2.838 1.00 0.00 H new ATOM 0 HA GLU A 60 9.767 0.877 0.939 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.255 1.086 3.891 1.00 0.00 H new ATOM 0 HB3 GLU A 60 10.913 1.227 3.340 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.800 2.867 1.972 1.00 0.00 H new ATOM 0 HG3 GLU A 60 9.333 3.349 3.570 1.00 0.00 H new ATOM 964 N LEU A 61 11.636 -0.768 1.318 1.00 0.00 N ATOM 965 CA LEU A 61 12.599 -1.864 1.329 1.00 0.00 C ATOM 966 C LEU A 61 13.896 -1.441 2.011 1.00 0.00 C ATOM 967 O LEU A 61 14.027 -0.305 2.465 1.00 0.00 O ATOM 968 CB LEU A 61 12.889 -2.330 -0.099 1.00 0.00 C ATOM 969 CG LEU A 61 11.677 -2.780 -0.917 1.00 0.00 C ATOM 970 CD1 LEU A 61 12.111 -3.256 -2.294 1.00 0.00 C ATOM 971 CD2 LEU A 61 10.918 -3.877 -0.185 1.00 0.00 C ATOM 0 H LEU A 61 11.920 0.037 0.760 1.00 0.00 H new ATOM 0 HA LEU A 61 12.165 -2.690 1.893 1.00 0.00 H new ATOM 0 HB2 LEU A 61 13.381 -1.517 -0.633 1.00 0.00 H new ATOM 0 HB3 LEU A 61 13.599 -3.156 -0.053 1.00 0.00 H new ATOM 0 HG LEU A 61 11.010 -1.927 -1.044 1.00 0.00 H new ATOM 0 HD11 LEU A 61 11.236 -3.572 -2.862 1.00 0.00 H new ATOM 0 HD12 LEU A 61 12.610 -2.442 -2.820 1.00 0.00 H new ATOM 0 HD13 LEU A 61 12.798 -4.095 -2.189 1.00 0.00 H new ATOM 0 HD21 LEU A 61 10.059 -4.185 -0.781 1.00 0.00 H new ATOM 0 HD22 LEU A 61 11.576 -4.732 -0.028 1.00 0.00 H new ATOM 0 HD23 LEU A 61 10.575 -3.501 0.779 1.00 0.00 H new ATOM 983 N GLU A 62 14.852 -2.363 2.077 1.00 0.00 N ATOM 984 CA GLU A 62 16.139 -2.084 2.703 1.00 0.00 C ATOM 985 C GLU A 62 17.187 -1.724 1.654 1.00 0.00 C ATOM 986 O GLU A 62 17.922 -0.748 1.805 1.00 0.00 O ATOM 987 CB GLU A 62 16.609 -3.293 3.514 1.00 0.00 C ATOM 988 CG GLU A 62 17.984 -3.111 4.136 1.00 0.00 C ATOM 989 CD GLU A 62 17.961 -2.195 5.344 1.00 0.00 C ATOM 990 OE1 GLU A 62 17.233 -1.181 5.305 1.00 0.00 O ATOM 991 OE2 GLU A 62 18.671 -2.491 6.327 1.00 0.00 O ATOM 0 H GLU A 62 14.759 -3.308 1.705 1.00 0.00 H new ATOM 0 HA GLU A 62 16.012 -1.233 3.372 1.00 0.00 H new ATOM 0 HB2 GLU A 62 15.886 -3.493 4.304 1.00 0.00 H new ATOM 0 HB3 GLU A 62 16.625 -4.170 2.867 1.00 0.00 H new ATOM 0 HG2 GLU A 62 18.377 -4.084 4.430 1.00 0.00 H new ATOM 0 HG3 GLU A 62 18.666 -2.704 3.389 1.00 0.00 H new ATOM 998 N SER A 63 17.250 -2.519 0.591 1.00 0.00 N ATOM 999 CA SER A 63 18.210 -2.287 -0.482 1.00 0.00 C ATOM 1000 C SER A 63 17.535 -2.389 -1.847 1.00 0.00 C ATOM 1001 O SER A 63 16.322 -2.573 -1.938 1.00 0.00 O ATOM 1002 CB SER A 63 19.360 -3.292 -0.392 1.00 0.00 C ATOM 1003 OG SER A 63 19.984 -3.241 0.879 1.00 0.00 O ATOM 0 H SER A 63 16.647 -3.330 0.450 1.00 0.00 H new ATOM 0 HA SER A 63 18.608 -1.279 -0.368 1.00 0.00 H new ATOM 0 HB2 SER A 63 18.983 -4.298 -0.575 1.00 0.00 H new ATOM 0 HB3 SER A 63 20.094 -3.080 -1.170 1.00 0.00 H new ATOM 0 HG SER A 63 20.714 -3.894 0.911 1.00 0.00 H new ATOM 1009 N GLU A 64 18.332 -2.269 -2.904 1.00 0.00 N ATOM 1010 CA GLU A 64 17.812 -2.347 -4.264 1.00 0.00 C ATOM 1011 C GLU A 64 17.258 -3.739 -4.556 1.00 0.00 C ATOM 1012 O GLU A 64 16.084 -3.894 -4.890 1.00 0.00 O ATOM 1013 CB GLU A 64 18.908 -2.000 -5.274 1.00 0.00 C ATOM 1014 CG GLU A 64 18.392 -1.807 -6.690 1.00 0.00 C ATOM 1015 CD GLU A 64 19.360 -1.031 -7.563 1.00 0.00 C ATOM 1016 OE1 GLU A 64 19.819 0.045 -7.126 1.00 0.00 O ATOM 1017 OE2 GLU A 64 19.658 -1.500 -8.681 1.00 0.00 O ATOM 0 H GLU A 64 19.339 -2.118 -2.845 1.00 0.00 H new ATOM 0 HA GLU A 64 17.001 -1.625 -4.357 1.00 0.00 H new ATOM 0 HB2 GLU A 64 19.411 -1.088 -4.952 1.00 0.00 H new ATOM 0 HB3 GLU A 64 19.655 -2.794 -5.274 1.00 0.00 H new ATOM 0 HG2 GLU A 64 18.204 -2.782 -7.140 1.00 0.00 H new ATOM 0 HG3 GLU A 64 17.438 -1.282 -6.656 1.00 0.00 H new ATOM 1024 N ASP A 65 18.113 -4.747 -4.428 1.00 0.00 N ATOM 1025 CA ASP A 65 17.711 -6.127 -4.677 1.00 0.00 C ATOM 1026 C ASP A 65 16.257 -6.350 -4.274 1.00 0.00 C ATOM 1027 O ASP A 65 15.488 -6.972 -5.008 1.00 0.00 O ATOM 1028 CB ASP A 65 18.619 -7.091 -3.913 1.00 0.00 C ATOM 1029 CG ASP A 65 18.345 -7.085 -2.422 1.00 0.00 C ATOM 1030 OD1 ASP A 65 17.400 -7.778 -1.989 1.00 0.00 O ATOM 1031 OD2 ASP A 65 19.076 -6.388 -1.688 1.00 0.00 O ATOM 0 H ASP A 65 19.089 -4.635 -4.153 1.00 0.00 H new ATOM 0 HA ASP A 65 17.807 -6.320 -5.745 1.00 0.00 H new ATOM 0 HB2 ASP A 65 18.481 -8.100 -4.301 1.00 0.00 H new ATOM 0 HB3 ASP A 65 19.660 -6.822 -4.089 1.00 0.00 H new ATOM 1036 N ASP A 66 15.888 -5.840 -3.105 1.00 0.00 N ATOM 1037 CA ASP A 66 14.525 -5.983 -2.604 1.00 0.00 C ATOM 1038 C ASP A 66 13.510 -5.590 -3.672 1.00 0.00 C ATOM 1039 O ASP A 66 12.565 -6.330 -3.947 1.00 0.00 O ATOM 1040 CB ASP A 66 14.326 -5.126 -1.353 1.00 0.00 C ATOM 1041 CG ASP A 66 15.121 -5.639 -0.168 1.00 0.00 C ATOM 1042 OD1 ASP A 66 15.437 -6.847 -0.143 1.00 0.00 O ATOM 1043 OD2 ASP A 66 15.426 -4.832 0.735 1.00 0.00 O ATOM 0 H ASP A 66 16.513 -5.324 -2.486 1.00 0.00 H new ATOM 0 HA ASP A 66 14.367 -7.030 -2.346 1.00 0.00 H new ATOM 0 HB2 ASP A 66 14.622 -4.099 -1.568 1.00 0.00 H new ATOM 0 HB3 ASP A 66 13.267 -5.105 -1.095 1.00 0.00 H new ATOM 1048 N VAL A 67 13.710 -4.421 -4.270 1.00 0.00 N ATOM 1049 CA VAL A 67 12.812 -3.929 -5.308 1.00 0.00 C ATOM 1050 C VAL A 67 12.619 -4.969 -6.406 1.00 0.00 C ATOM 1051 O VAL A 67 11.501 -5.411 -6.669 1.00 0.00 O ATOM 1052 CB VAL A 67 13.341 -2.626 -5.937 1.00 0.00 C ATOM 1053 CG1 VAL A 67 12.365 -2.102 -6.980 1.00 0.00 C ATOM 1054 CG2 VAL A 67 13.596 -1.581 -4.861 1.00 0.00 C ATOM 0 H VAL A 67 14.487 -3.796 -4.054 1.00 0.00 H new ATOM 0 HA VAL A 67 11.854 -3.729 -4.829 1.00 0.00 H new ATOM 0 HB VAL A 67 14.287 -2.841 -6.435 1.00 0.00 H new ATOM 0 HG11 VAL A 67 12.755 -1.181 -7.413 1.00 0.00 H new ATOM 0 HG12 VAL A 67 12.237 -2.847 -7.765 1.00 0.00 H new ATOM 0 HG13 VAL A 67 11.402 -1.902 -6.509 1.00 0.00 H new ATOM 0 HG21 VAL A 67 13.969 -0.667 -5.323 1.00 0.00 H new ATOM 0 HG22 VAL A 67 12.666 -1.368 -4.333 1.00 0.00 H new ATOM 0 HG23 VAL A 67 14.335 -1.959 -4.155 1.00 0.00 H new ATOM 1064 N LYS A 68 13.717 -5.356 -7.046 1.00 0.00 N ATOM 1065 CA LYS A 68 13.672 -6.346 -8.115 1.00 0.00 C ATOM 1066 C LYS A 68 12.914 -7.593 -7.670 1.00 0.00 C ATOM 1067 O LYS A 68 12.173 -8.193 -8.450 1.00 0.00 O ATOM 1068 CB LYS A 68 15.090 -6.725 -8.548 1.00 0.00 C ATOM 1069 CG LYS A 68 15.954 -5.531 -8.913 1.00 0.00 C ATOM 1070 CD LYS A 68 17.383 -5.949 -9.219 1.00 0.00 C ATOM 1071 CE LYS A 68 18.351 -4.788 -9.052 1.00 0.00 C ATOM 1072 NZ LYS A 68 19.665 -5.065 -9.694 1.00 0.00 N ATOM 0 H LYS A 68 14.650 -4.998 -6.842 1.00 0.00 H new ATOM 0 HA LYS A 68 13.146 -5.906 -8.962 1.00 0.00 H new ATOM 0 HB2 LYS A 68 15.571 -7.278 -7.742 1.00 0.00 H new ATOM 0 HB3 LYS A 68 15.032 -7.396 -9.405 1.00 0.00 H new ATOM 0 HG2 LYS A 68 15.529 -5.024 -9.779 1.00 0.00 H new ATOM 0 HG3 LYS A 68 15.952 -4.814 -8.092 1.00 0.00 H new ATOM 0 HD2 LYS A 68 17.674 -6.765 -8.557 1.00 0.00 H new ATOM 0 HD3 LYS A 68 17.442 -6.329 -10.239 1.00 0.00 H new ATOM 0 HE2 LYS A 68 17.917 -3.888 -9.487 1.00 0.00 H new ATOM 0 HE3 LYS A 68 18.500 -4.589 -7.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 20.296 -4.250 -9.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 20.091 -5.909 -9.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 19.526 -5.230 -10.712 1.00 0.00 H new ATOM 1086 N LEU A 69 13.103 -7.977 -6.413 1.00 0.00 N ATOM 1087 CA LEU A 69 12.436 -9.153 -5.863 1.00 0.00 C ATOM 1088 C LEU A 69 10.928 -8.935 -5.783 1.00 0.00 C ATOM 1089 O LEU A 69 10.147 -9.749 -6.276 1.00 0.00 O ATOM 1090 CB LEU A 69 12.990 -9.476 -4.475 1.00 0.00 C ATOM 1091 CG LEU A 69 14.461 -9.890 -4.419 1.00 0.00 C ATOM 1092 CD1 LEU A 69 14.949 -9.935 -2.979 1.00 0.00 C ATOM 1093 CD2 LEU A 69 14.661 -11.239 -5.094 1.00 0.00 C ATOM 0 H LEU A 69 13.713 -7.492 -5.755 1.00 0.00 H new ATOM 0 HA LEU A 69 12.629 -9.994 -6.529 1.00 0.00 H new ATOM 0 HB2 LEU A 69 12.855 -8.601 -3.839 1.00 0.00 H new ATOM 0 HB3 LEU A 69 12.391 -10.278 -4.044 1.00 0.00 H new ATOM 0 HG LEU A 69 15.049 -9.146 -4.957 1.00 0.00 H new ATOM 0 HD11 LEU A 69 15.998 -10.231 -2.959 1.00 0.00 H new ATOM 0 HD12 LEU A 69 14.842 -8.949 -2.528 1.00 0.00 H new ATOM 0 HD13 LEU A 69 14.357 -10.657 -2.417 1.00 0.00 H new ATOM 0 HD21 LEU A 69 15.714 -11.518 -5.045 1.00 0.00 H new ATOM 0 HD22 LEU A 69 14.061 -11.993 -4.584 1.00 0.00 H new ATOM 0 HD23 LEU A 69 14.351 -11.173 -6.137 1.00 0.00 H new ATOM 1105 N ALA A 70 10.527 -7.831 -5.162 1.00 0.00 N ATOM 1106 CA ALA A 70 9.113 -7.505 -5.022 1.00 0.00 C ATOM 1107 C ALA A 70 8.388 -7.620 -6.358 1.00 0.00 C ATOM 1108 O ALA A 70 7.295 -8.183 -6.437 1.00 0.00 O ATOM 1109 CB ALA A 70 8.949 -6.105 -4.449 1.00 0.00 C ATOM 0 H ALA A 70 11.161 -7.147 -4.748 1.00 0.00 H new ATOM 0 HA ALA A 70 8.666 -8.222 -4.334 1.00 0.00 H new ATOM 0 HB1 ALA A 70 7.888 -5.874 -4.350 1.00 0.00 H new ATOM 0 HB2 ALA A 70 9.425 -6.055 -3.469 1.00 0.00 H new ATOM 0 HB3 ALA A 70 9.417 -5.381 -5.117 1.00 0.00 H new ATOM 1115 N LEU A 71 9.001 -7.083 -7.407 1.00 0.00 N ATOM 1116 CA LEU A 71 8.413 -7.124 -8.741 1.00 0.00 C ATOM 1117 C LEU A 71 8.121 -8.561 -9.163 1.00 0.00 C ATOM 1118 O LEU A 71 7.275 -8.807 -10.023 1.00 0.00 O ATOM 1119 CB LEU A 71 9.351 -6.465 -9.754 1.00 0.00 C ATOM 1120 CG LEU A 71 9.668 -4.989 -9.513 1.00 0.00 C ATOM 1121 CD1 LEU A 71 10.770 -4.519 -10.451 1.00 0.00 C ATOM 1122 CD2 LEU A 71 8.418 -4.139 -9.689 1.00 0.00 C ATOM 0 H LEU A 71 9.905 -6.614 -7.359 1.00 0.00 H new ATOM 0 HA LEU A 71 7.473 -6.574 -8.714 1.00 0.00 H new ATOM 0 HB2 LEU A 71 10.289 -7.020 -9.765 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.910 -6.564 -10.746 1.00 0.00 H new ATOM 0 HG LEU A 71 10.019 -4.876 -8.487 1.00 0.00 H new ATOM 0 HD11 LEU A 71 10.982 -3.466 -10.265 1.00 0.00 H new ATOM 0 HD12 LEU A 71 11.671 -5.107 -10.277 1.00 0.00 H new ATOM 0 HD13 LEU A 71 10.447 -4.647 -11.484 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.663 -3.091 -9.514 1.00 0.00 H new ATOM 0 HD22 LEU A 71 8.037 -4.258 -10.703 1.00 0.00 H new ATOM 0 HD23 LEU A 71 7.658 -4.458 -8.976 1.00 0.00 H new ATOM 1134 N LYS A 72 8.823 -9.507 -8.549 1.00 0.00 N ATOM 1135 CA LYS A 72 8.637 -10.920 -8.857 1.00 0.00 C ATOM 1136 C LYS A 72 7.361 -11.453 -8.214 1.00 0.00 C ATOM 1137 O LYS A 72 6.838 -12.492 -8.618 1.00 0.00 O ATOM 1138 CB LYS A 72 9.842 -11.731 -8.374 1.00 0.00 C ATOM 1139 CG LYS A 72 11.168 -11.239 -8.927 1.00 0.00 C ATOM 1140 CD LYS A 72 12.290 -12.224 -8.643 1.00 0.00 C ATOM 1141 CE LYS A 72 13.623 -11.717 -9.171 1.00 0.00 C ATOM 1142 NZ LYS A 72 14.775 -12.391 -8.510 1.00 0.00 N ATOM 0 H LYS A 72 9.527 -9.321 -7.834 1.00 0.00 H new ATOM 0 HA LYS A 72 8.548 -11.022 -9.939 1.00 0.00 H new ATOM 0 HB2 LYS A 72 9.878 -11.699 -7.285 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.704 -12.774 -8.658 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.080 -11.086 -10.003 1.00 0.00 H new ATOM 0 HG3 LYS A 72 11.411 -10.272 -8.486 1.00 0.00 H new ATOM 0 HD2 LYS A 72 12.364 -12.394 -7.569 1.00 0.00 H new ATOM 0 HD3 LYS A 72 12.057 -13.185 -9.102 1.00 0.00 H new ATOM 0 HE2 LYS A 72 13.674 -11.883 -10.247 1.00 0.00 H new ATOM 0 HE3 LYS A 72 13.691 -10.641 -9.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 15.545 -11.706 -8.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 14.475 -12.765 -7.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 15.110 -13.173 -9.108 1.00 0.00 H new ATOM 1156 N LYS A 73 6.863 -10.735 -7.213 1.00 0.00 N ATOM 1157 CA LYS A 73 5.647 -11.134 -6.516 1.00 0.00 C ATOM 1158 C LYS A 73 4.408 -10.643 -7.259 1.00 0.00 C ATOM 1159 O LYS A 73 3.302 -10.658 -6.718 1.00 0.00 O ATOM 1160 CB LYS A 73 5.649 -10.584 -5.088 1.00 0.00 C ATOM 1161 CG LYS A 73 6.976 -10.763 -4.370 1.00 0.00 C ATOM 1162 CD LYS A 73 7.219 -12.216 -4.000 1.00 0.00 C ATOM 1163 CE LYS A 73 6.438 -12.613 -2.756 1.00 0.00 C ATOM 1164 NZ LYS A 73 6.066 -14.055 -2.772 1.00 0.00 N ATOM 0 H LYS A 73 7.284 -9.873 -6.866 1.00 0.00 H new ATOM 0 HA LYS A 73 5.620 -12.223 -6.479 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.400 -9.523 -5.116 1.00 0.00 H new ATOM 0 HB3 LYS A 73 4.865 -11.080 -4.515 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.786 -10.409 -5.007 1.00 0.00 H new ATOM 0 HG3 LYS A 73 6.988 -10.150 -3.469 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.930 -12.858 -4.832 1.00 0.00 H new ATOM 0 HD3 LYS A 73 8.284 -12.376 -3.829 1.00 0.00 H new ATOM 0 HE2 LYS A 73 7.036 -12.402 -1.869 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.536 -12.006 -2.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.535 -14.286 -1.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.475 -14.252 -3.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.928 -14.635 -2.815 1.00 0.00 H new ATOM 1178 N ASP A 74 4.601 -10.211 -8.500 1.00 0.00 N ATOM 1179 CA ASP A 74 3.499 -9.718 -9.318 1.00 0.00 C ATOM 1180 C ASP A 74 2.493 -10.829 -9.600 1.00 0.00 C ATOM 1181 O ASP A 74 2.838 -12.011 -9.585 1.00 0.00 O ATOM 1182 CB ASP A 74 4.029 -9.146 -10.634 1.00 0.00 C ATOM 1183 CG ASP A 74 4.134 -10.197 -11.721 1.00 0.00 C ATOM 1184 OD1 ASP A 74 4.757 -11.250 -11.470 1.00 0.00 O ATOM 1185 OD2 ASP A 74 3.593 -9.967 -12.823 1.00 0.00 O ATOM 0 H ASP A 74 5.510 -10.192 -8.962 1.00 0.00 H new ATOM 0 HA ASP A 74 2.993 -8.927 -8.765 1.00 0.00 H new ATOM 0 HB2 ASP A 74 3.371 -8.345 -10.970 1.00 0.00 H new ATOM 0 HB3 ASP A 74 5.010 -8.703 -10.465 1.00 0.00 H new ATOM 1190 N ARG A 75 1.248 -10.442 -9.857 1.00 0.00 N ATOM 1191 CA ARG A 75 0.191 -11.405 -10.140 1.00 0.00 C ATOM 1192 C ARG A 75 0.174 -12.516 -9.095 1.00 0.00 C ATOM 1193 O ARG A 75 -0.206 -13.650 -9.387 1.00 0.00 O ATOM 1194 CB ARG A 75 0.379 -12.005 -11.535 1.00 0.00 C ATOM 1195 CG ARG A 75 -0.329 -11.228 -12.633 1.00 0.00 C ATOM 1196 CD ARG A 75 -0.212 -11.931 -13.977 1.00 0.00 C ATOM 1197 NE ARG A 75 -1.257 -12.934 -14.163 1.00 0.00 N ATOM 1198 CZ ARG A 75 -1.146 -13.965 -14.993 1.00 0.00 C ATOM 1199 NH1 ARG A 75 -0.042 -14.128 -15.709 1.00 0.00 N ATOM 1200 NH2 ARG A 75 -2.141 -14.836 -15.107 1.00 0.00 N ATOM 0 H ARG A 75 0.947 -9.468 -9.875 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.764 -10.880 -10.103 1.00 0.00 H new ATOM 0 HB2 ARG A 75 1.444 -12.049 -11.762 1.00 0.00 H new ATOM 0 HB3 ARG A 75 0.011 -13.031 -11.533 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -1.381 -11.107 -12.375 1.00 0.00 H new ATOM 0 HG3 ARG A 75 0.098 -10.228 -12.706 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -0.270 -11.194 -14.778 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.765 -12.407 -14.053 1.00 0.00 H new ATOM 0 HE ARG A 75 -2.119 -12.838 -13.626 1.00 0.00 H new ATOM 0 HH11 ARG A 75 0.725 -13.461 -15.623 1.00 0.00 H new ATOM 0 HH12 ARG A 75 0.041 -14.921 -16.346 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.991 -14.714 -14.557 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -2.055 -15.628 -15.745 1.00 0.00 H new ATOM 1214 N GLU A 76 0.588 -12.182 -7.877 1.00 0.00 N ATOM 1215 CA GLU A 76 0.621 -13.153 -6.789 1.00 0.00 C ATOM 1216 C GLU A 76 -0.758 -13.303 -6.151 1.00 0.00 C ATOM 1217 O GLU A 76 -1.737 -12.723 -6.621 1.00 0.00 O ATOM 1218 CB GLU A 76 1.641 -12.731 -5.730 1.00 0.00 C ATOM 1219 CG GLU A 76 3.055 -13.205 -6.024 1.00 0.00 C ATOM 1220 CD GLU A 76 3.208 -14.707 -5.879 1.00 0.00 C ATOM 1221 OE1 GLU A 76 3.037 -15.215 -4.752 1.00 0.00 O ATOM 1222 OE2 GLU A 76 3.499 -15.374 -6.895 1.00 0.00 O ATOM 0 H GLU A 76 0.905 -11.248 -7.619 1.00 0.00 H new ATOM 0 HA GLU A 76 0.917 -14.116 -7.205 1.00 0.00 H new ATOM 0 HB2 GLU A 76 1.640 -11.644 -5.650 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.330 -13.122 -4.761 1.00 0.00 H new ATOM 0 HG2 GLU A 76 3.329 -12.912 -7.037 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.750 -12.706 -5.348 1.00 0.00 H new ATOM 1229 N SER A 77 -0.825 -14.085 -5.079 1.00 0.00 N ATOM 1230 CA SER A 77 -2.084 -14.316 -4.379 1.00 0.00 C ATOM 1231 C SER A 77 -1.906 -14.150 -2.873 1.00 0.00 C ATOM 1232 O SER A 77 -1.086 -14.828 -2.255 1.00 0.00 O ATOM 1233 CB SER A 77 -2.616 -15.716 -4.690 1.00 0.00 C ATOM 1234 OG SER A 77 -1.674 -16.711 -4.327 1.00 0.00 O ATOM 0 H SER A 77 -0.023 -14.569 -4.676 1.00 0.00 H new ATOM 0 HA SER A 77 -2.805 -13.576 -4.726 1.00 0.00 H new ATOM 0 HB2 SER A 77 -3.550 -15.881 -4.153 1.00 0.00 H new ATOM 0 HB3 SER A 77 -2.842 -15.795 -5.753 1.00 0.00 H new ATOM 0 HG SER A 77 -1.092 -16.367 -3.618 1.00 0.00 H new ATOM 1240 N MET A 78 -2.680 -13.242 -2.289 1.00 0.00 N ATOM 1241 CA MET A 78 -2.610 -12.986 -0.854 1.00 0.00 C ATOM 1242 C MET A 78 -3.901 -13.412 -0.162 1.00 0.00 C ATOM 1243 O MET A 78 -4.929 -12.747 -0.282 1.00 0.00 O ATOM 1244 CB MET A 78 -2.341 -11.503 -0.591 1.00 0.00 C ATOM 1245 CG MET A 78 -2.440 -11.119 0.876 1.00 0.00 C ATOM 1246 SD MET A 78 -2.565 -9.337 1.120 1.00 0.00 S ATOM 1247 CE MET A 78 -0.847 -8.853 0.977 1.00 0.00 C ATOM 0 H MET A 78 -3.363 -12.671 -2.786 1.00 0.00 H new ATOM 0 HA MET A 78 -1.789 -13.574 -0.445 1.00 0.00 H new ATOM 0 HB2 MET A 78 -1.346 -11.252 -0.958 1.00 0.00 H new ATOM 0 HB3 MET A 78 -3.051 -10.906 -1.163 1.00 0.00 H new ATOM 0 HG2 MET A 78 -3.311 -11.604 1.317 1.00 0.00 H new ATOM 0 HG3 MET A 78 -1.564 -11.494 1.406 1.00 0.00 H new ATOM 0 HE1 MET A 78 -0.669 -7.960 1.576 1.00 0.00 H new ATOM 0 HE2 MET A 78 -0.210 -9.662 1.334 1.00 0.00 H new ATOM 0 HE3 MET A 78 -0.614 -8.642 -0.067 1.00 0.00 H new ATOM 1257 N GLY A 79 -3.839 -14.525 0.562 1.00 0.00 N ATOM 1258 CA GLY A 79 -5.010 -15.020 1.262 1.00 0.00 C ATOM 1259 C GLY A 79 -6.035 -15.623 0.323 1.00 0.00 C ATOM 1260 O GLY A 79 -5.985 -16.816 0.021 1.00 0.00 O ATOM 0 H GLY A 79 -2.999 -15.093 0.676 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -4.704 -15.770 1.991 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -5.469 -14.203 1.819 1.00 0.00 H new ATOM 1264 N HIS A 80 -6.970 -14.799 -0.139 1.00 0.00 N ATOM 1265 CA HIS A 80 -8.013 -15.258 -1.050 1.00 0.00 C ATOM 1266 C HIS A 80 -8.172 -14.297 -2.223 1.00 0.00 C ATOM 1267 O HIS A 80 -9.131 -14.391 -2.990 1.00 0.00 O ATOM 1268 CB HIS A 80 -9.342 -15.399 -0.307 1.00 0.00 C ATOM 1269 CG HIS A 80 -9.850 -14.110 0.261 1.00 0.00 C ATOM 1270 ND1 HIS A 80 -11.103 -13.606 -0.018 1.00 0.00 N ATOM 1271 CD2 HIS A 80 -9.267 -13.221 1.099 1.00 0.00 C ATOM 1272 CE1 HIS A 80 -11.268 -12.462 0.622 1.00 0.00 C ATOM 1273 NE2 HIS A 80 -10.168 -12.206 1.307 1.00 0.00 N ATOM 0 H HIS A 80 -7.027 -13.810 0.102 1.00 0.00 H new ATOM 0 HA HIS A 80 -7.718 -16.232 -1.440 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -10.089 -15.805 -0.989 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -9.222 -16.121 0.501 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -8.277 -13.296 1.525 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -12.152 -11.842 0.590 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -10.013 -11.387 1.895 1.00 0.00 H new ATOM 1282 N ARG A 81 -7.226 -13.372 -2.357 1.00 0.00 N ATOM 1283 CA ARG A 81 -7.263 -12.393 -3.436 1.00 0.00 C ATOM 1284 C ARG A 81 -5.917 -12.320 -4.151 1.00 0.00 C ATOM 1285 O ARG A 81 -4.942 -12.938 -3.724 1.00 0.00 O ATOM 1286 CB ARG A 81 -7.637 -11.014 -2.889 1.00 0.00 C ATOM 1287 CG ARG A 81 -9.038 -10.950 -2.304 1.00 0.00 C ATOM 1288 CD ARG A 81 -9.503 -9.514 -2.126 1.00 0.00 C ATOM 1289 NE ARG A 81 -9.982 -8.934 -3.378 1.00 0.00 N ATOM 1290 CZ ARG A 81 -10.847 -7.928 -3.439 1.00 0.00 C ATOM 1291 NH1 ARG A 81 -11.326 -7.393 -2.325 1.00 0.00 N ATOM 1292 NH2 ARG A 81 -11.235 -7.456 -4.617 1.00 0.00 N ATOM 0 H ARG A 81 -6.425 -13.281 -1.732 1.00 0.00 H new ATOM 0 HA ARG A 81 -8.020 -12.710 -4.154 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -6.918 -10.730 -2.120 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -7.553 -10.280 -3.690 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -9.731 -11.479 -2.958 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -9.055 -11.461 -1.341 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -10.300 -9.481 -1.383 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -8.681 -8.912 -1.739 1.00 0.00 H new ATOM 0 HE ARG A 81 -9.633 -9.323 -4.254 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -11.030 -7.754 -1.418 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -11.990 -6.620 -2.375 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -10.869 -7.866 -5.476 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -11.899 -6.683 -4.663 1.00 0.00 H new ATOM 1306 N TYR A 82 -5.872 -11.562 -5.241 1.00 0.00 N ATOM 1307 CA TYR A 82 -4.646 -11.411 -6.016 1.00 0.00 C ATOM 1308 C TYR A 82 -3.955 -10.090 -5.691 1.00 0.00 C ATOM 1309 O TYR A 82 -4.602 -9.117 -5.304 1.00 0.00 O ATOM 1310 CB TYR A 82 -4.953 -11.483 -7.513 1.00 0.00 C ATOM 1311 CG TYR A 82 -4.863 -12.881 -8.083 1.00 0.00 C ATOM 1312 CD1 TYR A 82 -5.739 -13.878 -7.671 1.00 0.00 C ATOM 1313 CD2 TYR A 82 -3.903 -13.204 -9.034 1.00 0.00 C ATOM 1314 CE1 TYR A 82 -5.660 -15.156 -8.188 1.00 0.00 C ATOM 1315 CE2 TYR A 82 -3.818 -14.480 -9.557 1.00 0.00 C ATOM 1316 CZ TYR A 82 -4.698 -15.452 -9.131 1.00 0.00 C ATOM 1317 OH TYR A 82 -4.617 -16.724 -9.650 1.00 0.00 O ATOM 0 H TYR A 82 -6.670 -11.043 -5.608 1.00 0.00 H new ATOM 0 HA TYR A 82 -3.974 -12.227 -5.749 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -5.955 -11.092 -7.689 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -4.259 -10.836 -8.049 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -6.494 -13.649 -6.934 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -3.212 -12.445 -9.370 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -6.348 -15.920 -7.856 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -3.066 -14.715 -10.296 1.00 0.00 H new ATOM 0 HH TYR A 82 -3.887 -16.765 -10.303 1.00 0.00 H new ATOM 1327 N ILE A 83 -2.636 -10.065 -5.852 1.00 0.00 N ATOM 1328 CA ILE A 83 -1.856 -8.865 -5.577 1.00 0.00 C ATOM 1329 C ILE A 83 -0.987 -8.489 -6.772 1.00 0.00 C ATOM 1330 O ILE A 83 -0.403 -9.354 -7.424 1.00 0.00 O ATOM 1331 CB ILE A 83 -0.957 -9.049 -4.340 1.00 0.00 C ATOM 1332 CG1 ILE A 83 -1.742 -9.710 -3.205 1.00 0.00 C ATOM 1333 CG2 ILE A 83 -0.393 -7.709 -3.892 1.00 0.00 C ATOM 1334 CD1 ILE A 83 -2.986 -8.947 -2.807 1.00 0.00 C ATOM 0 H ILE A 83 -2.086 -10.862 -6.171 1.00 0.00 H new ATOM 0 HA ILE A 83 -2.568 -8.063 -5.382 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.125 -9.700 -4.607 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.025 -10.718 -3.509 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -1.093 -9.810 -2.335 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.240 -7.855 -3.017 1.00 0.00 H new ATOM 0 HG22 ILE A 83 0.197 -7.275 -4.699 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.212 -7.036 -3.639 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -3.492 -9.473 -1.998 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -2.708 -7.948 -2.472 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -3.655 -8.870 -3.664 1.00 0.00 H new ATOM 1346 N GLU A 84 -0.905 -7.192 -7.052 1.00 0.00 N ATOM 1347 CA GLU A 84 -0.106 -6.701 -8.169 1.00 0.00 C ATOM 1348 C GLU A 84 0.975 -5.740 -7.684 1.00 0.00 C ATOM 1349 O GLU A 84 0.678 -4.677 -7.139 1.00 0.00 O ATOM 1350 CB GLU A 84 -0.999 -6.004 -9.197 1.00 0.00 C ATOM 1351 CG GLU A 84 -1.991 -6.935 -9.873 1.00 0.00 C ATOM 1352 CD GLU A 84 -2.916 -6.208 -10.830 1.00 0.00 C ATOM 1353 OE1 GLU A 84 -3.973 -5.721 -10.378 1.00 0.00 O ATOM 1354 OE2 GLU A 84 -2.582 -6.126 -12.030 1.00 0.00 O ATOM 0 H GLU A 84 -1.382 -6.463 -6.521 1.00 0.00 H new ATOM 0 HA GLU A 84 0.378 -7.557 -8.640 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.546 -5.200 -8.705 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.370 -5.542 -9.958 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.446 -7.707 -10.416 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.586 -7.440 -9.112 1.00 0.00 H new ATOM 1361 N VAL A 85 2.233 -6.123 -7.885 1.00 0.00 N ATOM 1362 CA VAL A 85 3.359 -5.296 -7.468 1.00 0.00 C ATOM 1363 C VAL A 85 3.666 -4.223 -8.507 1.00 0.00 C ATOM 1364 O VAL A 85 3.585 -4.467 -9.710 1.00 0.00 O ATOM 1365 CB VAL A 85 4.623 -6.146 -7.235 1.00 0.00 C ATOM 1366 CG1 VAL A 85 5.764 -5.277 -6.727 1.00 0.00 C ATOM 1367 CG2 VAL A 85 4.330 -7.279 -6.263 1.00 0.00 C ATOM 0 H VAL A 85 2.497 -7.000 -8.334 1.00 0.00 H new ATOM 0 HA VAL A 85 3.073 -4.819 -6.531 1.00 0.00 H new ATOM 0 HB VAL A 85 4.927 -6.583 -8.186 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.648 -5.894 -6.568 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.988 -4.504 -7.462 1.00 0.00 H new ATOM 0 HG13 VAL A 85 5.474 -4.809 -5.786 1.00 0.00 H new ATOM 0 HG21 VAL A 85 5.233 -7.870 -6.110 1.00 0.00 H new ATOM 0 HG22 VAL A 85 4.001 -6.865 -5.310 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.545 -7.916 -6.672 1.00 0.00 H new ATOM 1377 N PHE A 86 4.020 -3.033 -8.032 1.00 0.00 N ATOM 1378 CA PHE A 86 4.339 -1.920 -8.920 1.00 0.00 C ATOM 1379 C PHE A 86 5.595 -1.192 -8.449 1.00 0.00 C ATOM 1380 O PHE A 86 5.691 -0.780 -7.293 1.00 0.00 O ATOM 1381 CB PHE A 86 3.164 -0.942 -8.989 1.00 0.00 C ATOM 1382 CG PHE A 86 2.010 -1.449 -9.805 1.00 0.00 C ATOM 1383 CD1 PHE A 86 2.174 -1.754 -11.146 1.00 0.00 C ATOM 1384 CD2 PHE A 86 0.760 -1.619 -9.231 1.00 0.00 C ATOM 1385 CE1 PHE A 86 1.113 -2.220 -11.900 1.00 0.00 C ATOM 1386 CE2 PHE A 86 -0.303 -2.086 -9.979 1.00 0.00 C ATOM 1387 CZ PHE A 86 -0.127 -2.386 -11.316 1.00 0.00 C ATOM 0 H PHE A 86 4.093 -2.815 -7.038 1.00 0.00 H new ATOM 0 HA PHE A 86 4.526 -2.323 -9.915 1.00 0.00 H new ATOM 0 HB2 PHE A 86 2.818 -0.730 -7.977 1.00 0.00 H new ATOM 0 HB3 PHE A 86 3.511 0.001 -9.411 1.00 0.00 H new ATOM 0 HD1 PHE A 86 3.142 -1.626 -11.608 1.00 0.00 H new ATOM 0 HD2 PHE A 86 0.616 -1.384 -8.187 1.00 0.00 H new ATOM 0 HE1 PHE A 86 1.254 -2.454 -12.945 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -1.271 -2.217 -9.519 1.00 0.00 H new ATOM 0 HZ PHE A 86 -0.957 -2.750 -11.903 1.00 0.00 H new ATOM 1397 N LYS A 87 6.556 -1.038 -9.353 1.00 0.00 N ATOM 1398 CA LYS A 87 7.806 -0.360 -9.033 1.00 0.00 C ATOM 1399 C LYS A 87 7.580 1.136 -8.840 1.00 0.00 C ATOM 1400 O LYS A 87 7.168 1.836 -9.765 1.00 0.00 O ATOM 1401 CB LYS A 87 8.834 -0.591 -10.143 1.00 0.00 C ATOM 1402 CG LYS A 87 10.273 -0.536 -9.660 1.00 0.00 C ATOM 1403 CD LYS A 87 10.729 0.894 -9.428 1.00 0.00 C ATOM 1404 CE LYS A 87 12.221 0.964 -9.140 1.00 0.00 C ATOM 1405 NZ LYS A 87 12.565 2.124 -8.271 1.00 0.00 N ATOM 0 H LYS A 87 6.493 -1.374 -10.314 1.00 0.00 H new ATOM 0 HA LYS A 87 8.187 -0.776 -8.100 1.00 0.00 H new ATOM 0 HB2 LYS A 87 8.650 -1.563 -10.601 1.00 0.00 H new ATOM 0 HB3 LYS A 87 8.692 0.159 -10.921 1.00 0.00 H new ATOM 0 HG2 LYS A 87 10.369 -1.104 -8.735 1.00 0.00 H new ATOM 0 HG3 LYS A 87 10.923 -1.011 -10.395 1.00 0.00 H new ATOM 0 HD2 LYS A 87 10.498 1.497 -10.306 1.00 0.00 H new ATOM 0 HD3 LYS A 87 10.176 1.322 -8.592 1.00 0.00 H new ATOM 0 HE2 LYS A 87 12.541 0.041 -8.657 1.00 0.00 H new ATOM 0 HE3 LYS A 87 12.769 1.039 -10.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 13.590 2.136 -8.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 12.283 3.007 -8.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 12.062 2.040 -7.365 1.00 0.00 H new ATOM 1419 N SER A 88 7.853 1.620 -7.632 1.00 0.00 N ATOM 1420 CA SER A 88 7.676 3.033 -7.317 1.00 0.00 C ATOM 1421 C SER A 88 8.795 3.530 -6.406 1.00 0.00 C ATOM 1422 O SER A 88 9.500 2.738 -5.780 1.00 0.00 O ATOM 1423 CB SER A 88 6.319 3.263 -6.649 1.00 0.00 C ATOM 1424 OG SER A 88 5.820 4.556 -6.941 1.00 0.00 O ATOM 0 H SER A 88 8.197 1.055 -6.856 1.00 0.00 H new ATOM 0 HA SER A 88 7.713 3.595 -8.250 1.00 0.00 H new ATOM 0 HB2 SER A 88 5.609 2.510 -6.991 1.00 0.00 H new ATOM 0 HB3 SER A 88 6.416 3.142 -5.570 1.00 0.00 H new ATOM 0 HG SER A 88 4.889 4.623 -6.642 1.00 0.00 H new ATOM 1430 N HIS A 89 8.951 4.848 -6.337 1.00 0.00 N ATOM 1431 CA HIS A 89 9.983 5.453 -5.502 1.00 0.00 C ATOM 1432 C HIS A 89 9.394 5.955 -4.188 1.00 0.00 C ATOM 1433 O HIS A 89 8.215 5.745 -3.905 1.00 0.00 O ATOM 1434 CB HIS A 89 10.659 6.606 -6.245 1.00 0.00 C ATOM 1435 CG HIS A 89 9.697 7.502 -6.962 1.00 0.00 C ATOM 1436 ND1 HIS A 89 9.476 8.813 -6.596 1.00 0.00 N ATOM 1437 CD2 HIS A 89 8.898 7.271 -8.030 1.00 0.00 C ATOM 1438 CE1 HIS A 89 8.580 9.349 -7.407 1.00 0.00 C ATOM 1439 NE2 HIS A 89 8.214 8.433 -8.286 1.00 0.00 N ATOM 0 H HIS A 89 8.376 5.517 -6.849 1.00 0.00 H new ATOM 0 HA HIS A 89 10.727 4.689 -5.277 1.00 0.00 H new ATOM 0 HB2 HIS A 89 11.234 7.199 -5.533 1.00 0.00 H new ATOM 0 HB3 HIS A 89 11.368 6.197 -6.965 1.00 0.00 H new ATOM 0 HD2 HIS A 89 8.814 6.345 -8.579 1.00 0.00 H new ATOM 0 HE1 HIS A 89 8.210 10.363 -7.359 1.00 0.00 H new ATOM 0 HE2 HIS A 89 7.533 8.568 -9.034 1.00 0.00 H new ATOM 1448 N ARG A 90 10.222 6.620 -3.389 1.00 0.00 N ATOM 1449 CA ARG A 90 9.784 7.150 -2.104 1.00 0.00 C ATOM 1450 C ARG A 90 9.099 8.503 -2.279 1.00 0.00 C ATOM 1451 O ARG A 90 7.935 8.674 -1.914 1.00 0.00 O ATOM 1452 CB ARG A 90 10.973 7.289 -1.152 1.00 0.00 C ATOM 1453 CG ARG A 90 10.575 7.629 0.275 1.00 0.00 C ATOM 1454 CD ARG A 90 10.348 9.122 0.449 1.00 0.00 C ATOM 1455 NE ARG A 90 10.542 9.548 1.832 1.00 0.00 N ATOM 1456 CZ ARG A 90 9.594 9.485 2.761 1.00 0.00 C ATOM 1457 NH1 ARG A 90 8.393 9.015 2.455 1.00 0.00 N ATOM 1458 NH2 ARG A 90 9.848 9.891 3.998 1.00 0.00 N ATOM 0 H ARG A 90 11.201 6.805 -3.609 1.00 0.00 H new ATOM 0 HA ARG A 90 9.066 6.450 -1.677 1.00 0.00 H new ATOM 0 HB2 ARG A 90 11.537 6.356 -1.150 1.00 0.00 H new ATOM 0 HB3 ARG A 90 11.640 8.064 -1.529 1.00 0.00 H new ATOM 0 HG2 ARG A 90 9.666 7.088 0.539 1.00 0.00 H new ATOM 0 HG3 ARG A 90 11.354 7.296 0.960 1.00 0.00 H new ATOM 0 HD2 ARG A 90 11.032 9.670 -0.198 1.00 0.00 H new ATOM 0 HD3 ARG A 90 9.337 9.374 0.131 1.00 0.00 H new ATOM 0 HE ARG A 90 11.456 9.914 2.100 1.00 0.00 H new ATOM 0 HH11 ARG A 90 8.195 8.701 1.505 1.00 0.00 H new ATOM 0 HH12 ARG A 90 7.667 8.967 3.170 1.00 0.00 H new ATOM 0 HH21 ARG A 90 10.772 10.252 4.237 1.00 0.00 H new ATOM 0 HH22 ARG A 90 9.120 9.842 4.710 1.00 0.00 H new ATOM 1472 N THR A 91 9.829 9.461 -2.841 1.00 0.00 N ATOM 1473 CA THR A 91 9.293 10.799 -3.064 1.00 0.00 C ATOM 1474 C THR A 91 7.815 10.745 -3.431 1.00 0.00 C ATOM 1475 O THR A 91 7.015 11.541 -2.940 1.00 0.00 O ATOM 1476 CB THR A 91 10.061 11.533 -4.179 1.00 0.00 C ATOM 1477 OG1 THR A 91 11.467 11.500 -3.909 1.00 0.00 O ATOM 1478 CG2 THR A 91 9.596 12.977 -4.296 1.00 0.00 C ATOM 0 H THR A 91 10.793 9.336 -3.150 1.00 0.00 H new ATOM 0 HA THR A 91 9.412 11.347 -2.129 1.00 0.00 H new ATOM 0 HB THR A 91 9.861 11.026 -5.123 1.00 0.00 H new ATOM 0 HG1 THR A 91 11.948 11.967 -4.623 1.00 0.00 H new ATOM 0 HG21 THR A 91 10.153 13.475 -5.090 1.00 0.00 H new ATOM 0 HG22 THR A 91 8.532 12.999 -4.530 1.00 0.00 H new ATOM 0 HG23 THR A 91 9.770 13.493 -3.352 1.00 0.00 H new ATOM 1486 N GLU A 92 7.459 9.800 -4.296 1.00 0.00 N ATOM 1487 CA GLU A 92 6.075 9.644 -4.728 1.00 0.00 C ATOM 1488 C GLU A 92 5.198 9.152 -3.580 1.00 0.00 C ATOM 1489 O GLU A 92 4.263 9.834 -3.164 1.00 0.00 O ATOM 1490 CB GLU A 92 5.991 8.667 -5.903 1.00 0.00 C ATOM 1491 CG GLU A 92 4.594 8.121 -6.142 1.00 0.00 C ATOM 1492 CD GLU A 92 4.361 7.727 -7.588 1.00 0.00 C ATOM 1493 OE1 GLU A 92 4.839 8.452 -8.485 1.00 0.00 O ATOM 1494 OE2 GLU A 92 3.701 6.692 -7.821 1.00 0.00 O ATOM 0 H GLU A 92 8.109 9.132 -4.711 1.00 0.00 H new ATOM 0 HA GLU A 92 5.710 10.620 -5.049 1.00 0.00 H new ATOM 0 HB2 GLU A 92 6.335 9.169 -6.807 1.00 0.00 H new ATOM 0 HB3 GLU A 92 6.671 7.835 -5.722 1.00 0.00 H new ATOM 0 HG2 GLU A 92 4.433 7.253 -5.502 1.00 0.00 H new ATOM 0 HG3 GLU A 92 3.860 8.872 -5.851 1.00 0.00 H new ATOM 1501 N MET A 93 5.509 7.963 -3.074 1.00 0.00 N ATOM 1502 CA MET A 93 4.750 7.380 -1.973 1.00 0.00 C ATOM 1503 C MET A 93 4.533 8.401 -0.862 1.00 0.00 C ATOM 1504 O MET A 93 3.634 8.250 -0.034 1.00 0.00 O ATOM 1505 CB MET A 93 5.477 6.152 -1.419 1.00 0.00 C ATOM 1506 CG MET A 93 4.833 5.579 -0.168 1.00 0.00 C ATOM 1507 SD MET A 93 5.874 4.355 0.651 1.00 0.00 S ATOM 1508 CE MET A 93 7.165 5.401 1.318 1.00 0.00 C ATOM 0 H MET A 93 6.280 7.385 -3.408 1.00 0.00 H new ATOM 0 HA MET A 93 3.776 7.075 -2.357 1.00 0.00 H new ATOM 0 HB2 MET A 93 5.508 5.380 -2.188 1.00 0.00 H new ATOM 0 HB3 MET A 93 6.509 6.421 -1.196 1.00 0.00 H new ATOM 0 HG2 MET A 93 4.616 6.389 0.528 1.00 0.00 H new ATOM 0 HG3 MET A 93 3.880 5.121 -0.432 1.00 0.00 H new ATOM 0 HE1 MET A 93 7.556 4.957 2.234 1.00 0.00 H new ATOM 0 HE2 MET A 93 7.969 5.496 0.589 1.00 0.00 H new ATOM 0 HE3 MET A 93 6.757 6.387 1.538 1.00 0.00 H new ATOM 1518 N ASP A 94 5.361 9.440 -0.848 1.00 0.00 N ATOM 1519 CA ASP A 94 5.258 10.487 0.162 1.00 0.00 C ATOM 1520 C ASP A 94 4.036 11.365 -0.088 1.00 0.00 C ATOM 1521 O ASP A 94 3.294 11.691 0.839 1.00 0.00 O ATOM 1522 CB ASP A 94 6.525 11.344 0.170 1.00 0.00 C ATOM 1523 CG ASP A 94 6.806 11.949 1.531 1.00 0.00 C ATOM 1524 OD1 ASP A 94 6.844 11.189 2.522 1.00 0.00 O ATOM 1525 OD2 ASP A 94 6.990 13.181 1.605 1.00 0.00 O ATOM 0 H ASP A 94 6.111 9.580 -1.525 1.00 0.00 H new ATOM 0 HA ASP A 94 5.146 10.009 1.135 1.00 0.00 H new ATOM 0 HB2 ASP A 94 7.375 10.734 -0.136 1.00 0.00 H new ATOM 0 HB3 ASP A 94 6.425 12.142 -0.566 1.00 0.00 H new ATOM 1530 N TRP A 95 3.834 11.744 -1.344 1.00 0.00 N ATOM 1531 CA TRP A 95 2.702 12.586 -1.716 1.00 0.00 C ATOM 1532 C TRP A 95 1.403 11.789 -1.700 1.00 0.00 C ATOM 1533 O TRP A 95 0.391 12.243 -1.166 1.00 0.00 O ATOM 1534 CB TRP A 95 2.925 13.194 -3.102 1.00 0.00 C ATOM 1535 CG TRP A 95 2.296 12.401 -4.207 1.00 0.00 C ATOM 1536 CD1 TRP A 95 2.943 11.688 -5.175 1.00 0.00 C ATOM 1537 CD2 TRP A 95 0.895 12.243 -4.457 1.00 0.00 C ATOM 1538 NE1 TRP A 95 2.028 11.096 -6.013 1.00 0.00 N ATOM 1539 CE2 TRP A 95 0.765 11.420 -5.593 1.00 0.00 C ATOM 1540 CE3 TRP A 95 -0.262 12.714 -3.831 1.00 0.00 C ATOM 1541 CZ2 TRP A 95 -0.475 11.062 -6.114 1.00 0.00 C ATOM 1542 CZ3 TRP A 95 -1.492 12.357 -4.350 1.00 0.00 C ATOM 1543 CH2 TRP A 95 -1.591 11.537 -5.482 1.00 0.00 C ATOM 0 H TRP A 95 4.439 11.482 -2.123 1.00 0.00 H new ATOM 0 HA TRP A 95 2.623 13.389 -0.984 1.00 0.00 H new ATOM 0 HB2 TRP A 95 2.521 14.206 -3.116 1.00 0.00 H new ATOM 0 HB3 TRP A 95 3.996 13.275 -3.287 1.00 0.00 H new ATOM 0 HD1 TRP A 95 4.015 11.602 -5.269 1.00 0.00 H new ATOM 0 HE1 TRP A 95 2.253 10.510 -6.817 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -0.196 13.346 -2.957 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -0.553 10.431 -6.987 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -2.393 12.716 -3.875 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -2.567 11.275 -5.863 1.00 0.00 H new ATOM 1554 N VAL A 96 1.437 10.598 -2.290 1.00 0.00 N ATOM 1555 CA VAL A 96 0.261 9.737 -2.342 1.00 0.00 C ATOM 1556 C VAL A 96 -0.287 9.470 -0.945 1.00 0.00 C ATOM 1557 O VAL A 96 -1.490 9.280 -0.764 1.00 0.00 O ATOM 1558 CB VAL A 96 0.580 8.393 -3.022 1.00 0.00 C ATOM 1559 CG1 VAL A 96 1.321 8.619 -4.331 1.00 0.00 C ATOM 1560 CG2 VAL A 96 1.387 7.502 -2.090 1.00 0.00 C ATOM 0 H VAL A 96 2.266 10.208 -2.738 1.00 0.00 H new ATOM 0 HA VAL A 96 -0.491 10.264 -2.929 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.359 7.888 -3.247 1.00 0.00 H new ATOM 0 HG11 VAL A 96 1.538 7.658 -4.797 1.00 0.00 H new ATOM 0 HG12 VAL A 96 0.702 9.216 -5.001 1.00 0.00 H new ATOM 0 HG13 VAL A 96 2.255 9.146 -4.134 1.00 0.00 H new ATOM 0 HG21 VAL A 96 1.603 6.556 -2.587 1.00 0.00 H new ATOM 0 HG22 VAL A 96 2.322 7.998 -1.832 1.00 0.00 H new ATOM 0 HG23 VAL A 96 0.814 7.312 -1.182 1.00 0.00 H new ATOM 1570 N LEU A 97 0.603 9.457 0.041 1.00 0.00 N ATOM 1571 CA LEU A 97 0.210 9.213 1.425 1.00 0.00 C ATOM 1572 C LEU A 97 -0.430 10.456 2.035 1.00 0.00 C ATOM 1573 O LEU A 97 -1.585 10.427 2.461 1.00 0.00 O ATOM 1574 CB LEU A 97 1.423 8.790 2.254 1.00 0.00 C ATOM 1575 CG LEU A 97 1.890 7.346 2.072 1.00 0.00 C ATOM 1576 CD1 LEU A 97 3.231 7.128 2.756 1.00 0.00 C ATOM 1577 CD2 LEU A 97 0.850 6.376 2.613 1.00 0.00 C ATOM 0 H LEU A 97 1.602 9.613 -0.092 1.00 0.00 H new ATOM 0 HA LEU A 97 -0.524 8.408 1.432 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.253 9.453 2.010 1.00 0.00 H new ATOM 0 HB3 LEU A 97 1.190 8.945 3.307 1.00 0.00 H new ATOM 0 HG LEU A 97 2.014 7.157 1.006 1.00 0.00 H new ATOM 0 HD11 LEU A 97 3.547 6.094 2.616 1.00 0.00 H new ATOM 0 HD12 LEU A 97 3.974 7.797 2.322 1.00 0.00 H new ATOM 0 HD13 LEU A 97 3.134 7.336 3.822 1.00 0.00 H new ATOM 0 HD21 LEU A 97 1.200 5.353 2.475 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.693 6.566 3.675 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -0.089 6.514 2.077 1.00 0.00 H new