USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 750 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 3 HIS : no HD1:sc= 0 X(o=0,f=-0.0084) USER MOD Single : A 4 SER OG : rot -59:sc= -1.86! USER MOD Single : A 5 SER OG : rot -150:sc= -0.17 USER MOD Single : A 7 LYS NZ :NH3+ 150:sc= 1.09 (180deg=-1.01!) USER MOD Single : A 11 ASN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 MET CE :methyl -133:sc= -1.32 (180deg=-1.4) USER MOD Single : A 23 GLN : amide:sc= 0.261 X(o=0.26,f=0) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 LYS NZ :NH3+ -155:sc= 0.1 (180deg=0.00561) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 HIS : no HD1:sc= -0.147 X(o=-0.15,f=0.028) USER MOD Single : B 4 SER OG : rot -56:sc= -2.49! USER MOD Single : B 5 SER OG : rot -150:sc= -0.676 USER MOD Single : B 7 LYS NZ :NH3+ -144:sc= 1.18 (180deg=0.971) USER MOD Single : B 11 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : B 12 SER OG : rot 180:sc= 0 USER MOD Single : B 20 THR OG1 : rot 180:sc= 0 USER MOD Single : B 22 MET CE :methyl -162:sc= -0.703 (180deg=-1.29!) USER MOD Single : B 23 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : B 26 ASN : amide:sc= -0.0735 X(o=-0.073,f=-0.5) USER MOD Single : B 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 34 LYS NZ :NH3+ -152:sc= 0.867 (180deg=0.425) USER MOD Single : B 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 279 N ILE A 2 -2.817 -9.832 6.223 1.00 0.00 N ATOM 280 CA ILE A 2 -4.215 -10.204 6.352 1.00 0.00 C ATOM 281 C ILE A 2 -4.848 -10.251 4.971 1.00 0.00 C ATOM 282 O ILE A 2 -4.759 -9.279 4.225 1.00 0.00 O ATOM 283 CB ILE A 2 -4.986 -9.175 7.234 1.00 0.00 C ATOM 284 CG1 ILE A 2 -4.342 -9.076 8.632 1.00 0.00 C ATOM 285 CG2 ILE A 2 -6.467 -9.553 7.345 1.00 0.00 C ATOM 286 CD1 ILE A 2 -4.977 -8.037 9.541 1.00 0.00 C ATOM 0 HA ILE A 2 -4.272 -11.182 6.829 1.00 0.00 H new ATOM 0 HB ILE A 2 -4.923 -8.198 6.755 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -4.402 -10.051 9.116 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -3.284 -8.842 8.516 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -6.984 -8.821 7.965 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -6.914 -9.567 6.351 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -6.558 -10.540 7.798 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -4.464 -8.033 10.503 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -4.894 -7.052 9.082 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -6.029 -8.279 9.691 1.00 0.00 H new ATOM 298 N HIS A 3 -5.447 -11.365 4.618 1.00 0.00 N ATOM 299 CA HIS A 3 -6.108 -11.459 3.335 1.00 0.00 C ATOM 300 C HIS A 3 -7.510 -10.842 3.378 1.00 0.00 C ATOM 301 O HIS A 3 -8.213 -10.901 4.406 1.00 0.00 O ATOM 302 CB HIS A 3 -6.084 -12.894 2.722 1.00 0.00 C ATOM 303 CG HIS A 3 -6.629 -14.025 3.565 1.00 0.00 C ATOM 304 ND1 HIS A 3 -5.992 -15.243 3.706 1.00 0.00 N ATOM 305 CD2 HIS A 3 -7.778 -14.128 4.273 1.00 0.00 C ATOM 306 CE1 HIS A 3 -6.741 -16.023 4.470 1.00 0.00 C ATOM 307 NE2 HIS A 3 -7.850 -15.396 4.850 1.00 0.00 N ATOM 0 H HIS A 3 -5.491 -12.208 5.191 1.00 0.00 H new ATOM 0 HA HIS A 3 -5.520 -10.859 2.641 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -6.646 -12.870 1.788 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -5.052 -13.133 2.466 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -8.521 -13.351 4.375 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -6.485 -17.035 4.748 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -8.596 -15.765 5.439 1.00 0.00 H new ATOM 315 N SER A 4 -7.879 -10.220 2.296 1.00 0.00 N ATOM 316 CA SER A 4 -9.127 -9.510 2.184 1.00 0.00 C ATOM 317 C SER A 4 -9.741 -9.791 0.819 1.00 0.00 C ATOM 318 O SER A 4 -9.504 -10.835 0.238 1.00 0.00 O ATOM 319 CB SER A 4 -8.801 -8.039 2.283 1.00 0.00 C ATOM 320 OG SER A 4 -7.900 -7.689 1.263 1.00 0.00 O ATOM 0 H SER A 4 -7.312 -10.190 1.449 1.00 0.00 H new ATOM 0 HA SER A 4 -9.828 -9.816 2.961 1.00 0.00 H new ATOM 0 HB2 SER A 4 -9.712 -7.447 2.197 1.00 0.00 H new ATOM 0 HB3 SER A 4 -8.367 -7.817 3.258 1.00 0.00 H new ATOM 0 HG SER A 4 -7.082 -8.221 1.353 1.00 0.00 H new ATOM 326 N SER A 5 -10.515 -8.863 0.319 1.00 0.00 N ATOM 327 CA SER A 5 -11.091 -8.958 -0.979 1.00 0.00 C ATOM 328 C SER A 5 -11.477 -7.582 -1.464 1.00 0.00 C ATOM 329 O SER A 5 -11.992 -6.762 -0.687 1.00 0.00 O ATOM 330 CB SER A 5 -12.297 -9.910 -0.987 1.00 0.00 C ATOM 331 OG SER A 5 -13.206 -9.604 0.058 1.00 0.00 O ATOM 0 H SER A 5 -10.761 -8.009 0.819 1.00 0.00 H new ATOM 0 HA SER A 5 -10.350 -9.376 -1.661 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.809 -9.843 -1.947 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.951 -10.938 -0.881 1.00 0.00 H new ATOM 0 HG SER A 5 -13.664 -10.422 0.343 1.00 0.00 H new ATOM 337 N VAL A 6 -11.146 -7.290 -2.696 1.00 0.00 N ATOM 338 CA VAL A 6 -11.590 -6.069 -3.317 1.00 0.00 C ATOM 339 C VAL A 6 -13.013 -6.280 -3.727 1.00 0.00 C ATOM 340 O VAL A 6 -13.287 -7.028 -4.650 1.00 0.00 O ATOM 341 CB VAL A 6 -10.746 -5.703 -4.561 1.00 0.00 C ATOM 342 CG1 VAL A 6 -11.261 -4.425 -5.218 1.00 0.00 C ATOM 343 CG2 VAL A 6 -9.311 -5.527 -4.165 1.00 0.00 C ATOM 0 H VAL A 6 -10.568 -7.884 -3.291 1.00 0.00 H new ATOM 0 HA VAL A 6 -11.483 -5.246 -2.610 1.00 0.00 H new ATOM 0 HB VAL A 6 -10.830 -6.516 -5.283 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -10.649 -4.192 -6.089 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -12.296 -4.567 -5.529 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -11.206 -3.602 -4.505 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -8.720 -5.269 -5.044 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -9.232 -4.728 -3.428 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -8.936 -6.456 -3.735 1.00 0.00 H new ATOM 353 N LYS A 7 -13.900 -5.694 -3.017 1.00 0.00 N ATOM 354 CA LYS A 7 -15.285 -5.854 -3.285 1.00 0.00 C ATOM 355 C LYS A 7 -15.807 -4.592 -3.953 1.00 0.00 C ATOM 356 O LYS A 7 -15.115 -3.572 -3.985 1.00 0.00 O ATOM 357 CB LYS A 7 -16.031 -6.202 -2.002 1.00 0.00 C ATOM 358 CG LYS A 7 -15.676 -7.552 -1.393 1.00 0.00 C ATOM 359 CD LYS A 7 -16.203 -8.680 -2.254 1.00 0.00 C ATOM 360 CE LYS A 7 -16.029 -10.029 -1.584 1.00 0.00 C ATOM 361 NZ LYS A 7 -16.696 -11.099 -2.345 1.00 0.00 N ATOM 0 H LYS A 7 -13.689 -5.084 -2.227 1.00 0.00 H new ATOM 0 HA LYS A 7 -15.451 -6.684 -3.972 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -15.834 -5.425 -1.264 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -17.102 -6.183 -2.206 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -14.594 -7.639 -1.293 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -16.096 -7.626 -0.390 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -17.259 -8.513 -2.465 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -15.682 -8.680 -3.212 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -14.967 -10.256 -1.490 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -16.437 -9.990 -0.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -16.186 -11.994 -2.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -17.676 -11.203 -2.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -16.698 -10.856 -3.356 1.00 0.00 H new ATOM 375 N ARG A 8 -16.981 -4.647 -4.498 1.00 0.00 N ATOM 376 CA ARG A 8 -17.490 -3.532 -5.254 1.00 0.00 C ATOM 377 C ARG A 8 -18.510 -2.730 -4.457 1.00 0.00 C ATOM 378 O ARG A 8 -19.560 -3.246 -4.069 1.00 0.00 O ATOM 379 CB ARG A 8 -18.128 -4.014 -6.521 1.00 0.00 C ATOM 380 CG ARG A 8 -18.190 -2.943 -7.576 1.00 0.00 C ATOM 381 CD ARG A 8 -18.983 -3.404 -8.745 1.00 0.00 C ATOM 382 NE ARG A 8 -18.490 -4.677 -9.309 1.00 0.00 N ATOM 383 CZ ARG A 8 -18.246 -4.908 -10.606 1.00 0.00 C ATOM 384 NH1 ARG A 8 -18.328 -3.932 -11.495 1.00 0.00 N ATOM 385 NH2 ARG A 8 -17.908 -6.122 -11.001 1.00 0.00 N ATOM 0 H ARG A 8 -17.609 -5.448 -4.437 1.00 0.00 H new ATOM 0 HA ARG A 8 -16.645 -2.884 -5.485 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -17.568 -4.866 -6.905 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -19.137 -4.366 -6.305 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -18.637 -2.041 -7.160 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -17.181 -2.681 -7.895 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -20.024 -3.524 -8.446 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -18.960 -2.637 -9.519 1.00 0.00 H new ATOM 0 HE ARG A 8 -18.321 -5.443 -8.657 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -18.580 -2.990 -11.196 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -18.140 -4.122 -12.479 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -17.834 -6.878 -10.320 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -17.721 -6.304 -11.987 1.00 0.00 H new ATOM 399 N TRP A 9 -18.201 -1.486 -4.226 1.00 0.00 N ATOM 400 CA TRP A 9 -19.069 -0.572 -3.514 1.00 0.00 C ATOM 401 C TRP A 9 -19.639 0.390 -4.543 1.00 0.00 C ATOM 402 O TRP A 9 -18.966 1.344 -4.964 1.00 0.00 O ATOM 403 CB TRP A 9 -18.235 0.165 -2.471 1.00 0.00 C ATOM 404 CG TRP A 9 -18.957 1.054 -1.512 1.00 0.00 C ATOM 405 CD1 TRP A 9 -20.283 1.079 -1.236 1.00 0.00 C ATOM 406 CD2 TRP A 9 -18.360 2.040 -0.660 1.00 0.00 C ATOM 407 NE1 TRP A 9 -20.537 1.985 -0.255 1.00 0.00 N ATOM 408 CE2 TRP A 9 -19.395 2.599 0.097 1.00 0.00 C ATOM 409 CE3 TRP A 9 -17.054 2.507 -0.457 1.00 0.00 C ATOM 410 CZ2 TRP A 9 -19.186 3.578 1.026 1.00 0.00 C ATOM 411 CZ3 TRP A 9 -16.850 3.485 0.468 1.00 0.00 C ATOM 412 CH2 TRP A 9 -17.925 4.014 1.196 1.00 0.00 C ATOM 0 H TRP A 9 -17.324 -1.064 -4.530 1.00 0.00 H new ATOM 0 HA TRP A 9 -19.883 -1.084 -3.002 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -17.687 -0.578 -1.893 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -17.495 0.768 -2.997 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -21.029 0.469 -1.724 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -21.454 2.170 0.152 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -16.228 2.100 -1.022 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -20.003 3.987 1.603 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -15.851 3.857 0.642 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -17.735 4.796 1.916 1.00 0.00 H new ATOM 423 N GLY A 10 -20.840 0.106 -4.995 1.00 0.00 N ATOM 424 CA GLY A 10 -21.411 0.856 -6.068 1.00 0.00 C ATOM 425 C GLY A 10 -20.694 0.456 -7.322 1.00 0.00 C ATOM 426 O GLY A 10 -20.531 -0.732 -7.584 1.00 0.00 O ATOM 0 H GLY A 10 -21.432 -0.640 -4.630 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -22.478 0.652 -6.154 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -21.304 1.926 -5.889 1.00 0.00 H new ATOM 430 N ASN A 11 -20.233 1.403 -8.070 1.00 0.00 N ATOM 431 CA ASN A 11 -19.406 1.091 -9.213 1.00 0.00 C ATOM 432 C ASN A 11 -17.940 1.406 -8.918 1.00 0.00 C ATOM 433 O ASN A 11 -17.144 1.642 -9.844 1.00 0.00 O ATOM 434 CB ASN A 11 -19.866 1.825 -10.483 1.00 0.00 C ATOM 435 CG ASN A 11 -21.217 1.363 -11.002 1.00 0.00 C ATOM 436 OD1 ASN A 11 -21.634 0.224 -10.787 1.00 0.00 O ATOM 437 ND2 ASN A 11 -21.880 2.209 -11.740 1.00 0.00 N ATOM 0 H ASN A 11 -20.407 2.397 -7.921 1.00 0.00 H new ATOM 0 HA ASN A 11 -19.510 0.022 -9.401 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -19.913 2.894 -10.277 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -19.119 1.683 -11.264 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -22.769 1.934 -12.157 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -21.509 3.146 -11.900 1.00 0.00 H new ATOM 444 N SER A 12 -17.547 1.353 -7.647 1.00 0.00 N ATOM 445 CA SER A 12 -16.204 1.654 -7.277 1.00 0.00 C ATOM 446 C SER A 12 -15.642 0.504 -6.438 1.00 0.00 C ATOM 447 O SER A 12 -16.256 0.105 -5.444 1.00 0.00 O ATOM 448 CB SER A 12 -16.149 2.972 -6.489 1.00 0.00 C ATOM 449 OG SER A 12 -16.784 4.028 -7.203 1.00 0.00 O ATOM 0 H SER A 12 -18.156 1.102 -6.869 1.00 0.00 H new ATOM 0 HA SER A 12 -15.599 1.772 -8.176 1.00 0.00 H new ATOM 0 HB2 SER A 12 -16.634 2.841 -5.522 1.00 0.00 H new ATOM 0 HB3 SER A 12 -15.110 3.237 -6.291 1.00 0.00 H new ATOM 0 HG SER A 12 -16.735 4.854 -6.677 1.00 0.00 H new ATOM 455 N PRO A 13 -14.541 -0.107 -6.880 1.00 0.00 N ATOM 456 CA PRO A 13 -13.864 -1.145 -6.111 1.00 0.00 C ATOM 457 C PRO A 13 -13.377 -0.588 -4.774 1.00 0.00 C ATOM 458 O PRO A 13 -12.738 0.472 -4.720 1.00 0.00 O ATOM 459 CB PRO A 13 -12.676 -1.561 -6.984 1.00 0.00 C ATOM 460 CG PRO A 13 -12.582 -0.556 -8.080 1.00 0.00 C ATOM 461 CD PRO A 13 -13.898 0.152 -8.169 1.00 0.00 C ATOM 0 HA PRO A 13 -14.521 -1.984 -5.879 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -11.756 -1.585 -6.400 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -12.824 -2.563 -7.388 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -11.780 0.154 -7.879 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -12.346 -1.044 -9.026 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -13.763 1.220 -8.338 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -14.498 -0.228 -8.996 1.00 0.00 H new ATOM 469 N ALA A 14 -13.692 -1.271 -3.715 1.00 0.00 N ATOM 470 CA ALA A 14 -13.371 -0.816 -2.405 1.00 0.00 C ATOM 471 C ALA A 14 -12.636 -1.888 -1.608 1.00 0.00 C ATOM 472 O ALA A 14 -12.968 -3.082 -1.682 1.00 0.00 O ATOM 473 CB ALA A 14 -14.635 -0.378 -1.695 1.00 0.00 C ATOM 0 H ALA A 14 -14.182 -2.165 -3.741 1.00 0.00 H new ATOM 0 HA ALA A 14 -12.698 0.038 -2.488 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -14.387 -0.030 -0.692 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -15.105 0.431 -2.254 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -15.324 -1.220 -1.627 1.00 0.00 H new ATOM 479 N VAL A 15 -11.637 -1.463 -0.874 1.00 0.00 N ATOM 480 CA VAL A 15 -10.848 -2.343 -0.041 1.00 0.00 C ATOM 481 C VAL A 15 -11.249 -2.149 1.403 1.00 0.00 C ATOM 482 O VAL A 15 -11.271 -1.020 1.897 1.00 0.00 O ATOM 483 CB VAL A 15 -9.313 -2.097 -0.208 1.00 0.00 C ATOM 484 CG1 VAL A 15 -8.499 -2.983 0.736 1.00 0.00 C ATOM 485 CG2 VAL A 15 -8.889 -2.350 -1.639 1.00 0.00 C ATOM 0 H VAL A 15 -11.344 -0.487 -0.836 1.00 0.00 H new ATOM 0 HA VAL A 15 -11.044 -3.369 -0.354 1.00 0.00 H new ATOM 0 HB VAL A 15 -9.118 -1.055 0.047 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -7.436 -2.786 0.594 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -8.774 -2.764 1.768 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -8.706 -4.031 0.520 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.818 -2.174 -1.738 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.114 -3.382 -1.908 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -9.430 -1.676 -2.303 1.00 0.00 H new ATOM 495 N ARG A 16 -11.599 -3.232 2.052 1.00 0.00 N ATOM 496 CA ARG A 16 -11.995 -3.209 3.438 1.00 0.00 C ATOM 497 C ARG A 16 -10.785 -3.094 4.354 1.00 0.00 C ATOM 498 O ARG A 16 -9.877 -3.920 4.298 1.00 0.00 O ATOM 499 CB ARG A 16 -12.767 -4.472 3.786 1.00 0.00 C ATOM 500 CG ARG A 16 -14.119 -4.586 3.143 1.00 0.00 C ATOM 501 CD ARG A 16 -14.796 -5.853 3.592 1.00 0.00 C ATOM 502 NE ARG A 16 -16.134 -6.012 3.023 1.00 0.00 N ATOM 503 CZ ARG A 16 -16.711 -7.183 2.704 1.00 0.00 C ATOM 504 NH1 ARG A 16 -16.042 -8.338 2.850 1.00 0.00 N ATOM 505 NH2 ARG A 16 -17.949 -7.189 2.252 1.00 0.00 N ATOM 0 H ARG A 16 -11.617 -4.161 1.630 1.00 0.00 H new ATOM 0 HA ARG A 16 -12.631 -2.336 3.586 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -12.169 -5.336 3.497 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -12.891 -4.518 4.868 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -14.731 -3.723 3.407 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -14.016 -4.583 2.058 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -14.182 -6.708 3.309 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -14.866 -5.857 4.680 1.00 0.00 H new ATOM 0 HE ARG A 16 -16.674 -5.163 2.854 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -15.086 -8.332 3.206 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -16.490 -9.221 2.605 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -18.458 -6.311 2.148 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -18.398 -8.071 2.006 1.00 0.00 H new ATOM 519 N ILE A 17 -10.779 -2.080 5.174 1.00 0.00 N ATOM 520 CA ILE A 17 -9.720 -1.880 6.138 1.00 0.00 C ATOM 521 C ILE A 17 -10.209 -2.387 7.496 1.00 0.00 C ATOM 522 O ILE A 17 -11.347 -2.096 7.888 1.00 0.00 O ATOM 523 CB ILE A 17 -9.333 -0.365 6.268 1.00 0.00 C ATOM 524 CG1 ILE A 17 -8.899 0.219 4.917 1.00 0.00 C ATOM 525 CG2 ILE A 17 -8.232 -0.147 7.310 1.00 0.00 C ATOM 526 CD1 ILE A 17 -7.700 -0.445 4.265 1.00 0.00 C ATOM 0 H ILE A 17 -11.506 -1.365 5.197 1.00 0.00 H new ATOM 0 HA ILE A 17 -8.836 -2.424 5.805 1.00 0.00 H new ATOM 0 HB ILE A 17 -10.228 0.160 6.603 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -9.742 0.159 4.229 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -8.674 1.277 5.055 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -7.993 0.915 7.370 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -8.577 -0.496 8.283 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -7.341 -0.704 7.020 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -7.482 0.047 3.317 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -6.836 -0.363 4.924 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -7.920 -1.497 4.085 1.00 0.00 H new ATOM 538 N PRO A 18 -9.409 -3.198 8.208 1.00 0.00 N ATOM 539 CA PRO A 18 -9.766 -3.638 9.546 1.00 0.00 C ATOM 540 C PRO A 18 -9.780 -2.449 10.509 1.00 0.00 C ATOM 541 O PRO A 18 -8.847 -1.618 10.503 1.00 0.00 O ATOM 542 CB PRO A 18 -8.652 -4.626 9.944 1.00 0.00 C ATOM 543 CG PRO A 18 -7.908 -4.926 8.684 1.00 0.00 C ATOM 544 CD PRO A 18 -8.127 -3.764 7.757 1.00 0.00 C ATOM 0 HA PRO A 18 -10.757 -4.091 9.580 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -7.992 -4.190 10.694 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -9.071 -5.534 10.377 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -6.846 -5.063 8.887 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -8.268 -5.851 8.234 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -7.319 -3.036 7.830 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -8.174 -4.085 6.716 1.00 0.00 H new ATOM 552 N ALA A 19 -10.816 -2.362 11.327 1.00 0.00 N ATOM 553 CA ALA A 19 -10.970 -1.287 12.310 1.00 0.00 C ATOM 554 C ALA A 19 -9.778 -1.248 13.276 1.00 0.00 C ATOM 555 O ALA A 19 -9.416 -0.192 13.798 1.00 0.00 O ATOM 556 CB ALA A 19 -12.277 -1.455 13.076 1.00 0.00 C ATOM 0 H ALA A 19 -11.582 -3.036 11.333 1.00 0.00 H new ATOM 0 HA ALA A 19 -10.998 -0.337 11.775 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -12.379 -0.649 13.803 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -13.114 -1.422 12.379 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -12.274 -2.414 13.595 1.00 0.00 H new ATOM 562 N THR A 20 -9.177 -2.397 13.490 1.00 0.00 N ATOM 563 CA THR A 20 -7.997 -2.535 14.312 1.00 0.00 C ATOM 564 C THR A 20 -6.817 -1.728 13.703 1.00 0.00 C ATOM 565 O THR A 20 -6.082 -1.065 14.407 1.00 0.00 O ATOM 566 CB THR A 20 -7.623 -4.031 14.417 1.00 0.00 C ATOM 567 OG1 THR A 20 -8.787 -4.782 14.828 1.00 0.00 O ATOM 568 CG2 THR A 20 -6.507 -4.248 15.421 1.00 0.00 C ATOM 0 H THR A 20 -9.501 -3.278 13.090 1.00 0.00 H new ATOM 0 HA THR A 20 -8.203 -2.141 15.307 1.00 0.00 H new ATOM 0 HB THR A 20 -7.277 -4.370 13.441 1.00 0.00 H new ATOM 0 HG1 THR A 20 -8.556 -5.732 14.895 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.266 -5.310 15.473 1.00 0.00 H new ATOM 0 HG22 THR A 20 -5.624 -3.690 15.110 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.828 -3.900 16.403 1.00 0.00 H new ATOM 576 N LEU A 21 -6.706 -1.743 12.377 1.00 0.00 N ATOM 577 CA LEU A 21 -5.625 -1.038 11.670 1.00 0.00 C ATOM 578 C LEU A 21 -5.870 0.429 11.644 1.00 0.00 C ATOM 579 O LEU A 21 -4.941 1.231 11.707 1.00 0.00 O ATOM 580 CB LEU A 21 -5.464 -1.569 10.259 1.00 0.00 C ATOM 581 CG LEU A 21 -4.535 -2.758 10.089 1.00 0.00 C ATOM 582 CD1 LEU A 21 -3.087 -2.318 10.254 1.00 0.00 C ATOM 583 CD2 LEU A 21 -4.847 -3.855 11.089 1.00 0.00 C ATOM 0 H LEU A 21 -7.353 -2.237 11.762 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.699 -1.221 12.216 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.449 -1.848 9.884 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.101 -0.758 9.628 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.687 -3.156 9.086 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.429 -3.178 10.130 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.847 -1.566 9.502 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.947 -1.894 11.248 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.163 -4.690 10.938 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.730 -3.468 12.101 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.873 -4.196 10.947 1.00 0.00 H new ATOM 595 N MET A 22 -7.121 0.765 11.546 1.00 0.00 N ATOM 596 CA MET A 22 -7.577 2.156 11.629 1.00 0.00 C ATOM 597 C MET A 22 -7.074 2.770 12.911 1.00 0.00 C ATOM 598 O MET A 22 -6.479 3.845 12.927 1.00 0.00 O ATOM 599 CB MET A 22 -9.095 2.217 11.592 1.00 0.00 C ATOM 600 CG MET A 22 -9.719 1.732 10.302 1.00 0.00 C ATOM 601 SD MET A 22 -9.451 2.838 8.929 1.00 0.00 S ATOM 602 CE MET A 22 -10.351 4.258 9.528 1.00 0.00 C ATOM 0 H MET A 22 -7.874 0.091 11.405 1.00 0.00 H new ATOM 0 HA MET A 22 -7.185 2.711 10.777 1.00 0.00 H new ATOM 0 HB2 MET A 22 -9.489 1.621 12.416 1.00 0.00 H new ATOM 0 HB3 MET A 22 -9.407 3.247 11.765 1.00 0.00 H new ATOM 0 HG2 MET A 22 -9.311 0.752 10.055 1.00 0.00 H new ATOM 0 HG3 MET A 22 -10.791 1.602 10.451 1.00 0.00 H new ATOM 0 HE1 MET A 22 -10.996 4.641 8.737 1.00 0.00 H new ATOM 0 HE2 MET A 22 -10.960 3.968 10.384 1.00 0.00 H new ATOM 0 HE3 MET A 22 -9.647 5.034 9.830 1.00 0.00 H new ATOM 612 N GLN A 23 -7.307 2.056 13.962 1.00 0.00 N ATOM 613 CA GLN A 23 -6.826 2.390 15.279 1.00 0.00 C ATOM 614 C GLN A 23 -5.307 2.363 15.342 1.00 0.00 C ATOM 615 O GLN A 23 -4.687 3.220 15.964 1.00 0.00 O ATOM 616 CB GLN A 23 -7.374 1.392 16.265 1.00 0.00 C ATOM 617 CG GLN A 23 -8.848 1.514 16.482 1.00 0.00 C ATOM 618 CD GLN A 23 -9.408 0.416 17.361 1.00 0.00 C ATOM 619 OE1 GLN A 23 -9.427 0.522 18.586 1.00 0.00 O ATOM 620 NE2 GLN A 23 -9.905 -0.622 16.749 1.00 0.00 N ATOM 0 H GLN A 23 -7.854 1.195 13.936 1.00 0.00 H new ATOM 0 HA GLN A 23 -7.160 3.399 15.520 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -7.149 0.385 15.913 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -6.863 1.518 17.219 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -9.064 2.481 16.936 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -9.355 1.494 15.517 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -9.873 -0.678 15.731 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -10.326 -1.378 17.288 1.00 0.00 H new ATOM 629 N ALA A 24 -4.720 1.413 14.653 1.00 0.00 N ATOM 630 CA ALA A 24 -3.269 1.184 14.723 1.00 0.00 C ATOM 631 C ALA A 24 -2.477 2.337 14.121 1.00 0.00 C ATOM 632 O ALA A 24 -1.443 2.760 14.656 1.00 0.00 O ATOM 633 CB ALA A 24 -2.894 -0.124 14.037 1.00 0.00 C ATOM 0 H ALA A 24 -5.215 0.775 14.030 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.008 1.120 15.779 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.816 -0.272 14.101 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.404 -0.952 14.529 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.193 -0.084 12.990 1.00 0.00 H new ATOM 639 N LEU A 25 -2.965 2.841 13.033 1.00 0.00 N ATOM 640 CA LEU A 25 -2.308 3.912 12.318 1.00 0.00 C ATOM 641 C LEU A 25 -2.850 5.268 12.747 1.00 0.00 C ATOM 642 O LEU A 25 -2.207 6.306 12.552 1.00 0.00 O ATOM 643 CB LEU A 25 -2.503 3.679 10.845 1.00 0.00 C ATOM 644 CG LEU A 25 -1.841 2.413 10.322 1.00 0.00 C ATOM 645 CD1 LEU A 25 -2.371 2.083 8.964 1.00 0.00 C ATOM 646 CD2 LEU A 25 -0.332 2.591 10.274 1.00 0.00 C ATOM 0 H LEU A 25 -3.836 2.526 12.605 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.243 3.917 12.548 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.571 3.631 10.634 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.108 4.535 10.298 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.071 1.589 10.997 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.892 1.175 8.597 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.448 1.927 9.022 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.160 2.906 8.281 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.130 1.678 9.898 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.084 3.422 9.613 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.042 2.801 11.276 1.00 0.00 H new ATOM 658 N ASN A 26 -3.993 5.216 13.398 1.00 0.00 N ATOM 659 CA ASN A 26 -4.738 6.373 13.886 1.00 0.00 C ATOM 660 C ASN A 26 -5.285 7.213 12.744 1.00 0.00 C ATOM 661 O ASN A 26 -4.772 8.287 12.419 1.00 0.00 O ATOM 662 CB ASN A 26 -3.984 7.228 14.935 1.00 0.00 C ATOM 663 CG ASN A 26 -4.838 8.378 15.495 1.00 0.00 C ATOM 664 OD1 ASN A 26 -6.073 8.281 15.589 1.00 0.00 O ATOM 665 ND2 ASN A 26 -4.202 9.454 15.876 1.00 0.00 N ATOM 0 H ASN A 26 -4.454 4.332 13.614 1.00 0.00 H new ATOM 0 HA ASN A 26 -5.586 5.957 14.430 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -3.663 6.587 15.756 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -3.082 7.639 14.481 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -4.720 10.243 16.263 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -3.187 9.505 15.787 1.00 0.00 H new ATOM 672 N LEU A 27 -6.243 6.651 12.071 1.00 0.00 N ATOM 673 CA LEU A 27 -6.973 7.305 11.072 1.00 0.00 C ATOM 674 C LEU A 27 -8.427 7.017 11.309 1.00 0.00 C ATOM 675 O LEU A 27 -8.768 6.050 12.005 1.00 0.00 O ATOM 676 CB LEU A 27 -6.593 6.840 9.683 1.00 0.00 C ATOM 677 CG LEU A 27 -6.820 5.377 9.349 1.00 0.00 C ATOM 678 CD1 LEU A 27 -7.154 5.261 7.894 1.00 0.00 C ATOM 679 CD2 LEU A 27 -5.579 4.572 9.636 1.00 0.00 C ATOM 0 H LEU A 27 -6.535 5.686 12.222 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.757 8.372 11.123 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -7.150 7.440 8.963 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.536 7.060 9.532 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.637 4.993 9.960 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.320 4.214 7.641 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -8.057 5.833 7.681 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.329 5.652 7.299 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.759 3.525 9.391 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.753 4.949 9.033 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.325 4.659 10.693 1.00 0.00 H new ATOM 691 N ASN A 28 -9.267 7.828 10.760 1.00 0.00 N ATOM 692 CA ASN A 28 -10.695 7.659 10.887 1.00 0.00 C ATOM 693 C ASN A 28 -11.303 7.829 9.532 1.00 0.00 C ATOM 694 O ASN A 28 -10.580 8.002 8.543 1.00 0.00 O ATOM 695 CB ASN A 28 -11.312 8.681 11.868 1.00 0.00 C ATOM 696 CG ASN A 28 -10.882 8.489 13.314 1.00 0.00 C ATOM 697 OD1 ASN A 28 -11.517 7.756 14.079 1.00 0.00 O ATOM 698 ND2 ASN A 28 -9.831 9.160 13.712 1.00 0.00 N ATOM 0 H ASN A 28 -8.991 8.637 10.204 1.00 0.00 H new ATOM 0 HA ASN A 28 -10.899 6.666 11.287 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -11.038 9.687 11.549 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -12.398 8.614 11.811 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -9.515 9.086 14.679 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -9.328 9.757 13.055 1.00 0.00 H new ATOM 705 N ILE A 29 -12.603 7.770 9.460 1.00 0.00 N ATOM 706 CA ILE A 29 -13.288 7.983 8.210 1.00 0.00 C ATOM 707 C ILE A 29 -13.050 9.442 7.759 1.00 0.00 C ATOM 708 O ILE A 29 -12.943 10.347 8.609 1.00 0.00 O ATOM 709 CB ILE A 29 -14.817 7.669 8.342 1.00 0.00 C ATOM 710 CG1 ILE A 29 -15.047 6.215 8.807 1.00 0.00 C ATOM 711 CG2 ILE A 29 -15.556 7.913 7.038 1.00 0.00 C ATOM 712 CD1 ILE A 29 -14.462 5.153 7.891 1.00 0.00 C ATOM 0 H ILE A 29 -13.214 7.576 10.253 1.00 0.00 H new ATOM 0 HA ILE A 29 -12.892 7.302 7.456 1.00 0.00 H new ATOM 0 HB ILE A 29 -15.216 8.350 9.094 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -14.617 6.094 9.801 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -16.119 6.044 8.900 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -16.613 7.684 7.171 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -15.445 8.957 6.747 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -15.141 7.273 6.259 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -14.673 4.164 8.299 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -14.909 5.240 6.901 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -13.383 5.291 7.816 1.00 0.00 H new ATOM 724 N ASP A 30 -12.920 9.637 6.448 1.00 0.00 N ATOM 725 CA ASP A 30 -12.632 10.937 5.801 1.00 0.00 C ATOM 726 C ASP A 30 -11.172 11.279 5.824 1.00 0.00 C ATOM 727 O ASP A 30 -10.791 12.425 5.578 1.00 0.00 O ATOM 728 CB ASP A 30 -13.486 12.118 6.304 1.00 0.00 C ATOM 729 CG ASP A 30 -14.875 12.104 5.758 1.00 0.00 C ATOM 730 OD1 ASP A 30 -15.065 12.485 4.604 1.00 0.00 O ATOM 731 OD2 ASP A 30 -15.815 11.711 6.477 1.00 0.00 O ATOM 0 H ASP A 30 -13.013 8.876 5.776 1.00 0.00 H new ATOM 0 HA ASP A 30 -12.932 10.783 4.764 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -13.529 12.091 7.393 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -13.001 13.054 6.027 1.00 0.00 H new ATOM 736 N ASP A 31 -10.351 10.289 6.094 1.00 0.00 N ATOM 737 CA ASP A 31 -8.925 10.466 6.021 1.00 0.00 C ATOM 738 C ASP A 31 -8.572 10.405 4.569 1.00 0.00 C ATOM 739 O ASP A 31 -8.948 9.445 3.869 1.00 0.00 O ATOM 740 CB ASP A 31 -8.180 9.367 6.773 1.00 0.00 C ATOM 741 CG ASP A 31 -6.720 9.718 7.036 1.00 0.00 C ATOM 742 OD1 ASP A 31 -5.858 9.532 6.154 1.00 0.00 O ATOM 743 OD2 ASP A 31 -6.434 10.186 8.162 1.00 0.00 O ATOM 0 H ASP A 31 -10.651 9.353 6.366 1.00 0.00 H new ATOM 0 HA ASP A 31 -8.639 11.413 6.479 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -8.681 9.179 7.723 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -8.229 8.442 6.198 1.00 0.00 H new ATOM 748 N GLU A 32 -7.950 11.421 4.107 1.00 0.00 N ATOM 749 CA GLU A 32 -7.585 11.539 2.745 1.00 0.00 C ATOM 750 C GLU A 32 -6.262 10.871 2.570 1.00 0.00 C ATOM 751 O GLU A 32 -5.272 11.397 2.989 1.00 0.00 O ATOM 752 CB GLU A 32 -7.545 13.029 2.373 1.00 0.00 C ATOM 753 CG GLU A 32 -7.172 13.321 0.948 1.00 0.00 C ATOM 754 CD GLU A 32 -7.646 14.684 0.485 1.00 0.00 C ATOM 755 OE1 GLU A 32 -7.143 15.715 0.960 1.00 0.00 O ATOM 756 OE2 GLU A 32 -8.539 14.738 -0.374 1.00 0.00 O ATOM 0 H GLU A 32 -7.672 12.218 4.680 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.304 11.057 2.083 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -8.525 13.463 2.572 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -6.834 13.532 3.029 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.089 13.262 0.841 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.598 12.554 0.301 1.00 0.00 H new ATOM 763 N VAL A 33 -6.255 9.689 1.993 1.00 0.00 N ATOM 764 CA VAL A 33 -5.022 8.932 1.902 1.00 0.00 C ATOM 765 C VAL A 33 -4.435 9.064 0.534 1.00 0.00 C ATOM 766 O VAL A 33 -5.135 9.432 -0.426 1.00 0.00 O ATOM 767 CB VAL A 33 -5.185 7.402 2.265 1.00 0.00 C ATOM 768 CG1 VAL A 33 -6.145 7.220 3.382 1.00 0.00 C ATOM 769 CG2 VAL A 33 -5.571 6.516 1.091 1.00 0.00 C ATOM 0 H VAL A 33 -7.073 9.236 1.586 1.00 0.00 H new ATOM 0 HA VAL A 33 -4.351 9.359 2.647 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.192 7.075 2.575 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.239 6.159 3.612 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.784 7.751 4.262 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.119 7.616 3.093 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.661 5.484 1.429 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -6.525 6.849 0.682 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.804 6.580 0.320 1.00 0.00 H new ATOM 779 N LYS A 34 -3.190 8.759 0.435 1.00 0.00 N ATOM 780 CA LYS A 34 -2.506 8.786 -0.843 1.00 0.00 C ATOM 781 C LYS A 34 -2.397 7.394 -1.400 1.00 0.00 C ATOM 782 O LYS A 34 -1.955 6.479 -0.703 1.00 0.00 O ATOM 783 CB LYS A 34 -1.081 9.349 -0.748 1.00 0.00 C ATOM 784 CG LYS A 34 -0.952 10.817 -0.358 1.00 0.00 C ATOM 785 CD LYS A 34 0.522 11.256 -0.309 1.00 0.00 C ATOM 786 CE LYS A 34 1.312 10.426 0.699 1.00 0.00 C ATOM 787 NZ LYS A 34 2.733 10.810 0.794 1.00 0.00 N ATOM 0 H LYS A 34 -2.605 8.483 1.223 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.100 9.435 -1.486 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -0.527 8.754 -0.022 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.594 9.209 -1.713 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -1.494 11.435 -1.074 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -1.414 10.979 0.616 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.968 11.153 -1.298 1.00 0.00 H new ATOM 0 HD3 LYS A 34 0.581 12.311 -0.041 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.850 10.527 1.681 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.246 9.374 0.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.290 10.000 1.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 3.078 11.098 -0.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.835 11.603 1.459 1.00 0.00 H new ATOM 801 N ILE A 35 -2.839 7.226 -2.614 1.00 0.00 N ATOM 802 CA ILE A 35 -2.586 6.017 -3.346 1.00 0.00 C ATOM 803 C ILE A 35 -1.359 6.288 -4.182 1.00 0.00 C ATOM 804 O ILE A 35 -1.410 7.097 -5.130 1.00 0.00 O ATOM 805 CB ILE A 35 -3.751 5.570 -4.309 1.00 0.00 C ATOM 806 CG1 ILE A 35 -5.023 5.110 -3.558 1.00 0.00 C ATOM 807 CG2 ILE A 35 -3.271 4.459 -5.237 1.00 0.00 C ATOM 808 CD1 ILE A 35 -5.780 6.201 -2.852 1.00 0.00 C ATOM 0 H ILE A 35 -3.384 7.922 -3.124 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.474 5.206 -2.626 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.026 6.451 -4.888 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -5.692 4.628 -4.271 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.740 4.354 -2.826 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.085 4.159 -5.897 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.434 4.820 -5.834 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.951 3.602 -4.644 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.653 5.776 -2.357 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.134 6.670 -2.109 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -6.102 6.949 -3.577 1.00 0.00 H new ATOM 820 N ASP A 36 -0.274 5.698 -3.814 1.00 0.00 N ATOM 821 CA ASP A 36 0.955 5.865 -4.545 1.00 0.00 C ATOM 822 C ASP A 36 1.427 4.499 -4.987 1.00 0.00 C ATOM 823 O ASP A 36 1.393 3.555 -4.208 1.00 0.00 O ATOM 824 CB ASP A 36 1.995 6.607 -3.679 1.00 0.00 C ATOM 825 CG ASP A 36 3.269 6.928 -4.419 1.00 0.00 C ATOM 826 OD1 ASP A 36 3.202 7.540 -5.491 1.00 0.00 O ATOM 827 OD2 ASP A 36 4.372 6.643 -3.912 1.00 0.00 O ATOM 0 H ASP A 36 -0.204 5.086 -3.001 1.00 0.00 H new ATOM 0 HA ASP A 36 0.804 6.481 -5.432 1.00 0.00 H new ATOM 0 HB2 ASP A 36 1.555 7.533 -3.309 1.00 0.00 H new ATOM 0 HB3 ASP A 36 2.233 5.997 -2.808 1.00 0.00 H new ATOM 832 N LEU A 37 1.776 4.355 -6.236 1.00 0.00 N ATOM 833 CA LEU A 37 2.129 3.117 -6.752 1.00 0.00 C ATOM 834 C LEU A 37 3.636 3.008 -6.767 1.00 0.00 C ATOM 835 O LEU A 37 4.332 3.837 -7.352 1.00 0.00 O ATOM 836 CB LEU A 37 1.548 3.000 -8.154 1.00 0.00 C ATOM 837 CG LEU A 37 1.284 1.601 -8.688 1.00 0.00 C ATOM 838 CD1 LEU A 37 2.530 0.795 -8.744 1.00 0.00 C ATOM 839 CD2 LEU A 37 0.211 0.915 -7.879 1.00 0.00 C ATOM 0 H LEU A 37 1.815 5.120 -6.909 1.00 0.00 H new ATOM 0 HA LEU A 37 1.735 2.305 -6.141 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.608 3.552 -8.176 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.228 3.501 -8.843 1.00 0.00 H new ATOM 0 HG LEU A 37 0.921 1.694 -9.711 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.303 -0.199 -9.130 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.250 1.284 -9.400 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.952 0.708 -7.743 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.038 -0.084 -8.278 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.531 0.841 -6.840 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.712 1.493 -7.934 1.00 0.00 H new ATOM 851 N VAL A 38 4.103 1.978 -6.153 1.00 0.00 N ATOM 852 CA VAL A 38 5.527 1.693 -6.001 1.00 0.00 C ATOM 853 C VAL A 38 5.683 0.176 -6.003 1.00 0.00 C ATOM 854 O VAL A 38 4.879 -0.505 -5.381 1.00 0.00 O ATOM 855 CB VAL A 38 6.091 2.232 -4.635 1.00 0.00 C ATOM 856 CG1 VAL A 38 7.588 1.997 -4.520 1.00 0.00 C ATOM 857 CG2 VAL A 38 5.785 3.708 -4.414 1.00 0.00 C ATOM 0 H VAL A 38 3.503 1.275 -5.721 1.00 0.00 H new ATOM 0 HA VAL A 38 6.073 2.178 -6.810 1.00 0.00 H new ATOM 0 HB VAL A 38 5.580 1.665 -3.857 1.00 0.00 H new ATOM 0 HG11 VAL A 38 7.944 2.382 -3.564 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.794 0.928 -4.581 1.00 0.00 H new ATOM 0 HG13 VAL A 38 8.101 2.512 -5.332 1.00 0.00 H new ATOM 0 HG21 VAL A 38 6.198 4.026 -3.456 1.00 0.00 H new ATOM 0 HG22 VAL A 38 6.233 4.296 -5.215 1.00 0.00 H new ATOM 0 HG23 VAL A 38 4.706 3.860 -4.412 1.00 0.00 H new ATOM 867 N ASP A 39 6.659 -0.348 -6.755 1.00 0.00 N ATOM 868 CA ASP A 39 6.977 -1.810 -6.814 1.00 0.00 C ATOM 869 C ASP A 39 5.818 -2.633 -7.328 1.00 0.00 C ATOM 870 O ASP A 39 5.754 -3.853 -7.101 1.00 0.00 O ATOM 871 CB ASP A 39 7.418 -2.362 -5.442 1.00 0.00 C ATOM 872 CG ASP A 39 8.818 -1.990 -5.059 1.00 0.00 C ATOM 873 OD1 ASP A 39 9.064 -0.839 -4.680 1.00 0.00 O ATOM 874 OD2 ASP A 39 9.706 -2.859 -5.093 1.00 0.00 O ATOM 0 H ASP A 39 7.263 0.220 -7.349 1.00 0.00 H new ATOM 0 HA ASP A 39 7.805 -1.899 -7.517 1.00 0.00 H new ATOM 0 HB2 ASP A 39 6.733 -1.996 -4.677 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.332 -3.449 -5.454 1.00 0.00 H new ATOM 879 N GLY A 40 4.921 -1.994 -8.044 1.00 0.00 N ATOM 880 CA GLY A 40 3.760 -2.680 -8.534 1.00 0.00 C ATOM 881 C GLY A 40 2.792 -3.034 -7.410 1.00 0.00 C ATOM 882 O GLY A 40 2.027 -3.992 -7.524 1.00 0.00 O ATOM 0 H GLY A 40 4.977 -1.007 -8.296 1.00 0.00 H new ATOM 0 HA2 GLY A 40 3.251 -2.054 -9.268 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.067 -3.590 -9.049 1.00 0.00 H new ATOM 886 N LYS A 41 2.858 -2.312 -6.309 1.00 0.00 N ATOM 887 CA LYS A 41 1.949 -2.534 -5.217 1.00 0.00 C ATOM 888 C LYS A 41 1.360 -1.211 -4.824 1.00 0.00 C ATOM 889 O LYS A 41 1.927 -0.151 -5.143 1.00 0.00 O ATOM 890 CB LYS A 41 2.643 -3.248 -4.016 1.00 0.00 C ATOM 891 CG LYS A 41 3.736 -2.469 -3.310 1.00 0.00 C ATOM 892 CD LYS A 41 4.599 -3.375 -2.427 1.00 0.00 C ATOM 893 CE LYS A 41 5.694 -2.585 -1.715 1.00 0.00 C ATOM 894 NZ LYS A 41 6.563 -3.444 -0.876 1.00 0.00 N ATOM 0 H LYS A 41 3.536 -1.566 -6.153 1.00 0.00 H new ATOM 0 HA LYS A 41 1.152 -3.207 -5.534 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.878 -3.505 -3.283 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.068 -4.185 -4.375 1.00 0.00 H new ATOM 0 HG2 LYS A 41 4.366 -1.975 -4.050 1.00 0.00 H new ATOM 0 HG3 LYS A 41 3.288 -1.686 -2.699 1.00 0.00 H new ATOM 0 HD2 LYS A 41 3.969 -3.872 -1.689 1.00 0.00 H new ATOM 0 HD3 LYS A 41 5.051 -4.156 -3.038 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.305 -2.070 -2.456 1.00 0.00 H new ATOM 0 HE3 LYS A 41 5.236 -1.818 -1.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 7.289 -2.859 -0.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 5.987 -3.917 -0.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 7.023 -4.160 -1.473 1.00 0.00 H new ATOM 908 N LEU A 42 0.243 -1.249 -4.177 1.00 0.00 N ATOM 909 CA LEU A 42 -0.414 -0.056 -3.773 1.00 0.00 C ATOM 910 C LEU A 42 0.096 0.341 -2.442 1.00 0.00 C ATOM 911 O LEU A 42 0.028 -0.420 -1.469 1.00 0.00 O ATOM 912 CB LEU A 42 -1.935 -0.221 -3.768 1.00 0.00 C ATOM 913 CG LEU A 42 -2.587 -0.399 -5.128 1.00 0.00 C ATOM 914 CD1 LEU A 42 -3.886 -1.178 -4.986 1.00 0.00 C ATOM 915 CD2 LEU A 42 -2.902 0.947 -5.779 1.00 0.00 C ATOM 0 H LEU A 42 -0.238 -2.109 -3.914 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.197 0.734 -4.492 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.186 -1.084 -3.151 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.374 0.653 -3.287 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.882 -0.942 -5.757 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.346 -1.300 -5.967 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.677 -2.159 -4.558 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.567 -0.634 -4.331 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.368 0.781 -6.750 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.584 1.509 -5.141 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.979 1.512 -5.911 1.00 0.00 H new ATOM 927 N ILE A 43 0.665 1.474 -2.416 1.00 0.00 N ATOM 928 CA ILE A 43 1.192 2.012 -1.226 1.00 0.00 C ATOM 929 C ILE A 43 0.167 2.951 -0.694 1.00 0.00 C ATOM 930 O ILE A 43 -0.260 3.890 -1.384 1.00 0.00 O ATOM 931 CB ILE A 43 2.516 2.731 -1.491 1.00 0.00 C ATOM 932 CG1 ILE A 43 3.553 1.772 -2.081 1.00 0.00 C ATOM 933 CG2 ILE A 43 3.051 3.485 -0.280 1.00 0.00 C ATOM 934 CD1 ILE A 43 3.809 0.524 -1.276 1.00 0.00 C ATOM 0 H ILE A 43 0.783 2.070 -3.235 1.00 0.00 H new ATOM 0 HA ILE A 43 1.408 1.225 -0.503 1.00 0.00 H new ATOM 0 HB ILE A 43 2.308 3.500 -2.235 1.00 0.00 H new ATOM 0 HG12 ILE A 43 3.227 1.480 -3.079 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.495 2.309 -2.198 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.992 3.971 -0.540 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.327 4.239 0.028 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.218 2.786 0.539 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.558 -0.087 -1.780 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.171 0.798 -0.285 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.883 -0.043 -1.180 1.00 0.00 H new ATOM 946 N ILE A 44 -0.263 2.673 0.480 1.00 0.00 N ATOM 947 CA ILE A 44 -1.331 3.408 1.080 1.00 0.00 C ATOM 948 C ILE A 44 -0.839 4.019 2.363 1.00 0.00 C ATOM 949 O ILE A 44 -0.462 3.315 3.306 1.00 0.00 O ATOM 950 CB ILE A 44 -2.573 2.497 1.345 1.00 0.00 C ATOM 951 CG1 ILE A 44 -3.131 1.895 0.034 1.00 0.00 C ATOM 952 CG2 ILE A 44 -3.672 3.239 2.108 1.00 0.00 C ATOM 953 CD1 ILE A 44 -3.615 2.914 -0.982 1.00 0.00 C ATOM 0 H ILE A 44 0.114 1.925 1.062 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.649 4.194 0.395 1.00 0.00 H new ATOM 0 HB ILE A 44 -2.229 1.675 1.973 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -2.355 1.284 -0.427 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -3.957 1.228 0.280 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.517 2.570 2.271 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -3.284 3.575 3.070 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.999 4.101 1.527 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -3.988 2.397 -1.866 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -4.416 3.510 -0.546 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -2.789 3.567 -1.264 1.00 0.00 H new ATOM 965 N GLU A 45 -0.832 5.302 2.400 1.00 0.00 N ATOM 966 CA GLU A 45 -0.369 6.018 3.556 1.00 0.00 C ATOM 967 C GLU A 45 -1.451 6.988 3.927 1.00 0.00 C ATOM 968 O GLU A 45 -2.146 7.494 3.028 1.00 0.00 O ATOM 969 CB GLU A 45 0.903 6.819 3.264 1.00 0.00 C ATOM 970 CG GLU A 45 2.126 6.043 2.804 1.00 0.00 C ATOM 971 CD GLU A 45 3.298 6.958 2.597 1.00 0.00 C ATOM 972 OE1 GLU A 45 3.227 7.860 1.745 1.00 0.00 O ATOM 973 OE2 GLU A 45 4.334 6.780 3.273 1.00 0.00 O ATOM 0 H GLU A 45 -1.146 5.896 1.633 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.143 5.306 4.350 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.667 7.560 2.500 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.171 7.367 4.167 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.379 5.284 3.544 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.900 5.519 1.875 1.00 0.00 H new ATOM 980 N PRO A 46 -1.614 7.304 5.204 1.00 0.00 N ATOM 981 CA PRO A 46 -2.615 8.204 5.633 1.00 0.00 C ATOM 982 C PRO A 46 -2.061 9.598 5.625 1.00 0.00 C ATOM 983 O PRO A 46 -0.827 9.834 5.724 1.00 0.00 O ATOM 984 CB PRO A 46 -2.940 7.756 7.052 1.00 0.00 C ATOM 985 CG PRO A 46 -1.841 6.828 7.436 1.00 0.00 C ATOM 986 CD PRO A 46 -0.807 6.887 6.333 1.00 0.00 C ATOM 0 HA PRO A 46 -3.499 8.206 4.996 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -2.990 8.607 7.731 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -3.908 7.257 7.094 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -1.404 7.122 8.390 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -2.218 5.813 7.557 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -0.011 7.599 6.554 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -0.332 5.921 6.163 1.00 0.00 H new ATOM 994 N VAL A 47 -2.899 10.494 5.500 1.00 0.00 N ATOM 995 CA VAL A 47 -2.492 11.867 5.349 1.00 0.00 C ATOM 996 C VAL A 47 -3.254 12.726 6.275 1.00 0.00 C ATOM 997 O VAL A 47 -4.468 12.613 6.393 1.00 0.00 O ATOM 998 CB VAL A 47 -2.734 12.384 3.914 1.00 0.00 C ATOM 999 CG1 VAL A 47 -2.194 13.747 3.697 1.00 0.00 C ATOM 1000 CG2 VAL A 47 -2.175 11.477 2.906 1.00 0.00 C ATOM 0 H VAL A 47 -3.908 10.343 5.493 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.425 11.908 5.568 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.817 12.424 3.799 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -2.393 14.058 2.672 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.673 14.442 4.387 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.118 13.744 3.873 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.367 11.877 1.910 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.100 11.382 3.058 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.643 10.497 2.999 1.00 0.00 H new ATOM 1351 N ILE B 2 -2.379 9.744 -5.622 1.00 0.00 N ATOM 1352 CA ILE B 2 -3.759 10.144 -5.787 1.00 0.00 C ATOM 1353 C ILE B 2 -4.417 10.233 -4.414 1.00 0.00 C ATOM 1354 O ILE B 2 -4.367 9.272 -3.647 1.00 0.00 O ATOM 1355 CB ILE B 2 -4.527 9.114 -6.671 1.00 0.00 C ATOM 1356 CG1 ILE B 2 -3.856 8.991 -8.055 1.00 0.00 C ATOM 1357 CG2 ILE B 2 -5.999 9.506 -6.814 1.00 0.00 C ATOM 1358 CD1 ILE B 2 -4.485 7.952 -8.965 1.00 0.00 C ATOM 0 HA ILE B 2 -3.792 11.115 -6.281 1.00 0.00 H new ATOM 0 HB ILE B 2 -4.487 8.142 -6.179 1.00 0.00 H new ATOM 0 HG12 ILE B 2 -3.893 9.961 -8.551 1.00 0.00 H new ATOM 0 HG13 ILE B 2 -2.804 8.744 -7.915 1.00 0.00 H new ATOM 0 HG21 ILE B 2 -6.512 8.772 -7.435 1.00 0.00 H new ATOM 0 HG22 ILE B 2 -6.465 9.537 -5.829 1.00 0.00 H new ATOM 0 HG23 ILE B 2 -6.070 10.489 -7.280 1.00 0.00 H new ATOM 0 HD11 ILE B 2 -3.953 7.931 -9.916 1.00 0.00 H new ATOM 0 HD12 ILE B 2 -4.424 6.971 -8.494 1.00 0.00 H new ATOM 0 HD13 ILE B 2 -5.530 8.206 -9.140 1.00 0.00 H new ATOM 1370 N HIS B 3 -4.987 11.378 -4.090 1.00 0.00 N ATOM 1371 CA HIS B 3 -5.663 11.537 -2.813 1.00 0.00 C ATOM 1372 C HIS B 3 -7.093 10.984 -2.848 1.00 0.00 C ATOM 1373 O HIS B 3 -7.849 11.194 -3.810 1.00 0.00 O ATOM 1374 CB HIS B 3 -5.593 12.989 -2.248 1.00 0.00 C ATOM 1375 CG HIS B 3 -6.079 14.107 -3.144 1.00 0.00 C ATOM 1376 ND1 HIS B 3 -5.411 15.304 -3.293 1.00 0.00 N ATOM 1377 CD2 HIS B 3 -7.195 14.214 -3.909 1.00 0.00 C ATOM 1378 CE1 HIS B 3 -6.114 16.076 -4.117 1.00 0.00 C ATOM 1379 NE2 HIS B 3 -7.212 15.461 -4.525 1.00 0.00 N ATOM 0 H HIS B 3 -4.997 12.206 -4.686 1.00 0.00 H new ATOM 0 HA HIS B 3 -5.105 10.928 -2.101 1.00 0.00 H new ATOM 0 HB2 HIS B 3 -6.173 13.020 -1.325 1.00 0.00 H new ATOM 0 HB3 HIS B 3 -4.557 13.197 -1.981 1.00 0.00 H new ATOM 0 HD2 HIS B 3 -7.951 13.451 -4.022 1.00 0.00 H new ATOM 0 HE1 HIS B 3 -5.826 17.074 -4.414 1.00 0.00 H new ATOM 0 HE2 HIS B 3 -7.923 15.825 -5.159 1.00 0.00 H new ATOM 1387 N SER B 4 -7.444 10.281 -1.819 1.00 0.00 N ATOM 1388 CA SER B 4 -8.718 9.610 -1.717 1.00 0.00 C ATOM 1389 C SER B 4 -9.354 9.945 -0.379 1.00 0.00 C ATOM 1390 O SER B 4 -9.088 10.991 0.179 1.00 0.00 O ATOM 1391 CB SER B 4 -8.427 8.137 -1.773 1.00 0.00 C ATOM 1392 OG SER B 4 -7.524 7.814 -0.760 1.00 0.00 O ATOM 0 H SER B 4 -6.846 10.149 -1.004 1.00 0.00 H new ATOM 0 HA SER B 4 -9.396 9.914 -2.514 1.00 0.00 H new ATOM 0 HB2 SER B 4 -9.348 7.566 -1.653 1.00 0.00 H new ATOM 0 HB3 SER B 4 -8.013 7.872 -2.746 1.00 0.00 H new ATOM 0 HG SER B 4 -6.717 8.362 -0.854 1.00 0.00 H new ATOM 1398 N SER B 5 -10.183 9.072 0.116 1.00 0.00 N ATOM 1399 CA SER B 5 -10.776 9.224 1.400 1.00 0.00 C ATOM 1400 C SER B 5 -11.274 7.886 1.878 1.00 0.00 C ATOM 1401 O SER B 5 -11.879 7.128 1.100 1.00 0.00 O ATOM 1402 CB SER B 5 -11.898 10.283 1.391 1.00 0.00 C ATOM 1403 OG SER B 5 -12.862 10.031 0.379 1.00 0.00 O ATOM 0 H SER B 5 -10.466 8.223 -0.374 1.00 0.00 H new ATOM 0 HA SER B 5 -10.021 9.588 2.096 1.00 0.00 H new ATOM 0 HB2 SER B 5 -12.390 10.298 2.364 1.00 0.00 H new ATOM 0 HB3 SER B 5 -11.463 11.271 1.239 1.00 0.00 H new ATOM 0 HG SER B 5 -13.248 10.879 0.077 1.00 0.00 H new ATOM 1409 N VAL B 6 -10.939 7.548 3.093 1.00 0.00 N ATOM 1410 CA VAL B 6 -11.460 6.354 3.706 1.00 0.00 C ATOM 1411 C VAL B 6 -12.886 6.631 4.076 1.00 0.00 C ATOM 1412 O VAL B 6 -13.152 7.441 4.952 1.00 0.00 O ATOM 1413 CB VAL B 6 -10.660 5.956 4.974 1.00 0.00 C ATOM 1414 CG1 VAL B 6 -11.252 4.713 5.632 1.00 0.00 C ATOM 1415 CG2 VAL B 6 -9.223 5.707 4.611 1.00 0.00 C ATOM 0 H VAL B 6 -10.303 8.086 3.683 1.00 0.00 H new ATOM 0 HA VAL B 6 -11.379 5.523 3.005 1.00 0.00 H new ATOM 0 HB VAL B 6 -10.720 6.778 5.687 1.00 0.00 H new ATOM 0 HG11 VAL B 6 -10.670 4.458 6.518 1.00 0.00 H new ATOM 0 HG12 VAL B 6 -12.284 4.911 5.920 1.00 0.00 H new ATOM 0 HG13 VAL B 6 -11.225 3.881 4.928 1.00 0.00 H new ATOM 0 HG21 VAL B 6 -8.665 5.428 5.505 1.00 0.00 H new ATOM 0 HG22 VAL B 6 -9.167 4.899 3.881 1.00 0.00 H new ATOM 0 HG23 VAL B 6 -8.793 6.613 4.183 1.00 0.00 H new ATOM 1425 N LYS B 7 -13.785 6.030 3.384 1.00 0.00 N ATOM 1426 CA LYS B 7 -15.167 6.248 3.620 1.00 0.00 C ATOM 1427 C LYS B 7 -15.746 5.011 4.285 1.00 0.00 C ATOM 1428 O LYS B 7 -15.091 3.965 4.325 1.00 0.00 O ATOM 1429 CB LYS B 7 -15.876 6.597 2.314 1.00 0.00 C ATOM 1430 CG LYS B 7 -15.469 7.918 1.677 1.00 0.00 C ATOM 1431 CD LYS B 7 -15.935 9.084 2.518 1.00 0.00 C ATOM 1432 CE LYS B 7 -15.798 10.401 1.774 1.00 0.00 C ATOM 1433 NZ LYS B 7 -16.353 11.529 2.549 1.00 0.00 N ATOM 0 H LYS B 7 -13.582 5.369 2.634 1.00 0.00 H new ATOM 0 HA LYS B 7 -15.314 7.095 4.290 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -15.693 5.797 1.597 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -16.950 6.619 2.499 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -14.385 7.954 1.565 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -15.896 7.992 0.677 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -16.976 8.934 2.804 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -15.354 9.124 3.439 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -14.746 10.590 1.560 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -16.311 10.332 0.815 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -16.802 12.208 1.901 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -17.061 11.173 3.222 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -15.587 12.002 3.070 1.00 0.00 H new ATOM 1447 N ARG B 8 -16.926 5.110 4.818 1.00 0.00 N ATOM 1448 CA ARG B 8 -17.484 4.004 5.564 1.00 0.00 C ATOM 1449 C ARG B 8 -18.487 3.231 4.729 1.00 0.00 C ATOM 1450 O ARG B 8 -19.486 3.778 4.279 1.00 0.00 O ATOM 1451 CB ARG B 8 -18.145 4.497 6.850 1.00 0.00 C ATOM 1452 CG ARG B 8 -18.365 3.397 7.874 1.00 0.00 C ATOM 1453 CD ARG B 8 -19.169 3.876 9.077 1.00 0.00 C ATOM 1454 NE ARG B 8 -18.608 5.078 9.701 1.00 0.00 N ATOM 1455 CZ ARG B 8 -18.509 5.298 11.024 1.00 0.00 C ATOM 1456 NH1 ARG B 8 -18.863 4.362 11.899 1.00 0.00 N ATOM 1457 NH2 ARG B 8 -18.056 6.457 11.459 1.00 0.00 N ATOM 0 H ARG B 8 -17.523 5.935 4.756 1.00 0.00 H new ATOM 0 HA ARG B 8 -16.664 3.335 5.824 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -17.525 5.277 7.293 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -19.104 4.953 6.605 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -18.885 2.563 7.402 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -17.400 3.021 8.212 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -20.193 4.080 8.764 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -19.215 3.077 9.817 1.00 0.00 H new ATOM 0 HE ARG B 8 -18.264 5.809 9.079 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -19.215 3.463 11.570 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -18.783 4.543 12.900 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -17.783 7.180 10.793 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -17.978 6.631 12.461 1.00 0.00 H new ATOM 1471 N TRP B 9 -18.214 1.982 4.531 1.00 0.00 N ATOM 1472 CA TRP B 9 -19.086 1.088 3.794 1.00 0.00 C ATOM 1473 C TRP B 9 -19.724 0.156 4.807 1.00 0.00 C ATOM 1474 O TRP B 9 -19.090 -0.809 5.273 1.00 0.00 O ATOM 1475 CB TRP B 9 -18.246 0.307 2.782 1.00 0.00 C ATOM 1476 CG TRP B 9 -18.981 -0.571 1.815 1.00 0.00 C ATOM 1477 CD1 TRP B 9 -20.307 -0.566 1.528 1.00 0.00 C ATOM 1478 CD2 TRP B 9 -18.407 -1.579 0.971 1.00 0.00 C ATOM 1479 NE1 TRP B 9 -20.573 -1.462 0.547 1.00 0.00 N ATOM 1480 CE2 TRP B 9 -19.451 -2.108 0.208 1.00 0.00 C ATOM 1481 CE3 TRP B 9 -17.115 -2.083 0.777 1.00 0.00 C ATOM 1482 CZ2 TRP B 9 -19.265 -3.098 -0.718 1.00 0.00 C ATOM 1483 CZ3 TRP B 9 -16.936 -3.072 -0.144 1.00 0.00 C ATOM 1484 CH2 TRP B 9 -18.019 -3.569 -0.879 1.00 0.00 C ATOM 0 H TRP B 9 -17.366 1.534 4.878 1.00 0.00 H new ATOM 0 HA TRP B 9 -19.860 1.627 3.248 1.00 0.00 H new ATOM 0 HB2 TRP B 9 -17.657 1.022 2.208 1.00 0.00 H new ATOM 0 HB3 TRP B 9 -17.542 -0.315 3.335 1.00 0.00 H new ATOM 0 HD1 TRP B 9 -21.043 0.060 2.011 1.00 0.00 H new ATOM 0 HE1 TRP B 9 -21.490 -1.620 0.130 1.00 0.00 H new ATOM 0 HE3 TRP B 9 -16.280 -1.697 1.344 1.00 0.00 H new ATOM 0 HZ2 TRP B 9 -20.090 -3.486 -1.297 1.00 0.00 H new ATOM 0 HZ3 TRP B 9 -15.948 -3.476 -0.308 1.00 0.00 H new ATOM 0 HH2 TRP B 9 -17.846 -4.356 -1.598 1.00 0.00 H new ATOM 1495 N GLY B 10 -20.937 0.486 5.218 1.00 0.00 N ATOM 1496 CA GLY B 10 -21.569 -0.261 6.258 1.00 0.00 C ATOM 1497 C GLY B 10 -20.866 0.069 7.535 1.00 0.00 C ATOM 1498 O GLY B 10 -20.665 1.239 7.835 1.00 0.00 O ATOM 0 H GLY B 10 -21.487 1.259 4.844 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -22.627 -0.006 6.325 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -21.511 -1.330 6.053 1.00 0.00 H new ATOM 1502 N ASN B 11 -20.455 -0.910 8.270 1.00 0.00 N ATOM 1503 CA ASN B 11 -19.656 -0.637 9.452 1.00 0.00 C ATOM 1504 C ASN B 11 -18.161 -0.879 9.211 1.00 0.00 C ATOM 1505 O ASN B 11 -17.386 -0.929 10.168 1.00 0.00 O ATOM 1506 CB ASN B 11 -20.145 -1.444 10.658 1.00 0.00 C ATOM 1507 CG ASN B 11 -21.413 -0.900 11.296 1.00 0.00 C ATOM 1508 OD1 ASN B 11 -22.234 -0.240 10.651 1.00 0.00 O ATOM 1509 ND2 ASN B 11 -21.592 -1.183 12.553 1.00 0.00 N ATOM 0 H ASN B 11 -20.647 -1.896 8.091 1.00 0.00 H new ATOM 0 HA ASN B 11 -19.784 0.422 9.674 1.00 0.00 H new ATOM 0 HB2 ASN B 11 -20.321 -2.473 10.346 1.00 0.00 H new ATOM 0 HB3 ASN B 11 -19.355 -1.469 11.409 1.00 0.00 H new ATOM 0 HD21 ASN B 11 -22.430 -0.858 13.035 1.00 0.00 H new ATOM 0 HD22 ASN B 11 -20.894 -1.730 13.057 1.00 0.00 H new ATOM 1516 N SER B 12 -17.731 -0.949 7.944 1.00 0.00 N ATOM 1517 CA SER B 12 -16.364 -1.223 7.652 1.00 0.00 C ATOM 1518 C SER B 12 -15.771 -0.091 6.816 1.00 0.00 C ATOM 1519 O SER B 12 -16.375 0.344 5.833 1.00 0.00 O ATOM 1520 CB SER B 12 -16.221 -2.566 6.919 1.00 0.00 C ATOM 1521 OG SER B 12 -16.748 -3.632 7.695 1.00 0.00 O ATOM 0 H SER B 12 -18.325 -0.817 7.126 1.00 0.00 H new ATOM 0 HA SER B 12 -15.816 -1.291 8.592 1.00 0.00 H new ATOM 0 HB2 SER B 12 -16.740 -2.518 5.962 1.00 0.00 H new ATOM 0 HB3 SER B 12 -15.170 -2.755 6.702 1.00 0.00 H new ATOM 0 HG SER B 12 -16.646 -4.475 7.205 1.00 0.00 H new ATOM 1527 N PRO B 13 -14.644 0.455 7.249 1.00 0.00 N ATOM 1528 CA PRO B 13 -13.918 1.462 6.489 1.00 0.00 C ATOM 1529 C PRO B 13 -13.439 0.884 5.157 1.00 0.00 C ATOM 1530 O PRO B 13 -12.855 -0.213 5.110 1.00 0.00 O ATOM 1531 CB PRO B 13 -12.727 1.833 7.377 1.00 0.00 C ATOM 1532 CG PRO B 13 -12.679 0.815 8.466 1.00 0.00 C ATOM 1533 CD PRO B 13 -14.017 0.149 8.531 1.00 0.00 C ATOM 0 HA PRO B 13 -14.537 2.326 6.248 1.00 0.00 H new ATOM 0 HB2 PRO B 13 -11.800 1.832 6.804 1.00 0.00 H new ATOM 0 HB3 PRO B 13 -12.847 2.836 7.788 1.00 0.00 H new ATOM 0 HG2 PRO B 13 -11.897 0.082 8.269 1.00 0.00 H new ATOM 0 HG3 PRO B 13 -12.441 1.287 9.419 1.00 0.00 H new ATOM 0 HD2 PRO B 13 -13.918 -0.927 8.677 1.00 0.00 H new ATOM 0 HD3 PRO B 13 -14.609 0.530 9.363 1.00 0.00 H new ATOM 1541 N ALA B 14 -13.705 1.588 4.091 1.00 0.00 N ATOM 1542 CA ALA B 14 -13.377 1.120 2.788 1.00 0.00 C ATOM 1543 C ALA B 14 -12.590 2.160 2.007 1.00 0.00 C ATOM 1544 O ALA B 14 -12.882 3.368 2.074 1.00 0.00 O ATOM 1545 CB ALA B 14 -14.639 0.725 2.052 1.00 0.00 C ATOM 0 H ALA B 14 -14.156 2.503 4.110 1.00 0.00 H new ATOM 0 HA ALA B 14 -12.739 0.242 2.886 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -14.382 0.367 1.055 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -15.148 -0.067 2.601 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -15.297 1.590 1.969 1.00 0.00 H new ATOM 1551 N VAL B 15 -11.593 1.697 1.292 1.00 0.00 N ATOM 1552 CA VAL B 15 -10.756 2.543 0.471 1.00 0.00 C ATOM 1553 C VAL B 15 -11.147 2.356 -0.975 1.00 0.00 C ATOM 1554 O VAL B 15 -11.232 1.226 -1.450 1.00 0.00 O ATOM 1555 CB VAL B 15 -9.240 2.220 0.649 1.00 0.00 C ATOM 1556 CG1 VAL B 15 -8.375 3.093 -0.264 1.00 0.00 C ATOM 1557 CG2 VAL B 15 -8.824 2.430 2.091 1.00 0.00 C ATOM 0 H VAL B 15 -11.336 0.710 1.263 1.00 0.00 H new ATOM 0 HA VAL B 15 -10.907 3.577 0.782 1.00 0.00 H new ATOM 0 HB VAL B 15 -9.089 1.176 0.374 1.00 0.00 H new ATOM 0 HG11 VAL B 15 -7.324 2.844 -0.117 1.00 0.00 H new ATOM 0 HG12 VAL B 15 -8.648 2.914 -1.304 1.00 0.00 H new ATOM 0 HG13 VAL B 15 -8.536 4.144 -0.022 1.00 0.00 H new ATOM 0 HG21 VAL B 15 -7.764 2.201 2.201 1.00 0.00 H new ATOM 0 HG22 VAL B 15 -9.002 3.467 2.374 1.00 0.00 H new ATOM 0 HG23 VAL B 15 -9.406 1.773 2.737 1.00 0.00 H new ATOM 1567 N ARG B 16 -11.423 3.443 -1.647 1.00 0.00 N ATOM 1568 CA ARG B 16 -11.802 3.413 -3.039 1.00 0.00 C ATOM 1569 C ARG B 16 -10.581 3.248 -3.931 1.00 0.00 C ATOM 1570 O ARG B 16 -9.631 4.027 -3.845 1.00 0.00 O ATOM 1571 CB ARG B 16 -12.520 4.694 -3.410 1.00 0.00 C ATOM 1572 CG ARG B 16 -13.859 4.887 -2.771 1.00 0.00 C ATOM 1573 CD ARG B 16 -14.466 6.164 -3.269 1.00 0.00 C ATOM 1574 NE ARG B 16 -15.763 6.462 -2.662 1.00 0.00 N ATOM 1575 CZ ARG B 16 -16.237 7.700 -2.472 1.00 0.00 C ATOM 1576 NH1 ARG B 16 -15.469 8.761 -2.714 1.00 0.00 N ATOM 1577 NH2 ARG B 16 -17.454 7.868 -2.010 1.00 0.00 N ATOM 0 H ARG B 16 -11.392 4.379 -1.244 1.00 0.00 H new ATOM 0 HA ARG B 16 -12.466 2.562 -3.189 1.00 0.00 H new ATOM 0 HB2 ARG B 16 -11.884 5.538 -3.143 1.00 0.00 H new ATOM 0 HB3 ARG B 16 -12.646 4.720 -4.492 1.00 0.00 H new ATOM 0 HG2 ARG B 16 -14.511 4.045 -3.005 1.00 0.00 H new ATOM 0 HG3 ARG B 16 -13.756 4.919 -1.686 1.00 0.00 H new ATOM 0 HD2 ARG B 16 -13.780 6.987 -3.068 1.00 0.00 H new ATOM 0 HD3 ARG B 16 -14.584 6.105 -4.351 1.00 0.00 H new ATOM 0 HE ARG B 16 -16.343 5.677 -2.365 1.00 0.00 H new ATOM 0 HH11 ARG B 16 -14.513 8.634 -3.046 1.00 0.00 H new ATOM 0 HH12 ARG B 16 -15.837 9.701 -2.567 1.00 0.00 H new ATOM 0 HH21 ARG B 16 -18.035 7.057 -1.797 1.00 0.00 H new ATOM 0 HH22 ARG B 16 -17.819 8.809 -1.864 1.00 0.00 H new ATOM 1591 N ILE B 17 -10.611 2.246 -4.762 1.00 0.00 N ATOM 1592 CA ILE B 17 -9.551 2.004 -5.711 1.00 0.00 C ATOM 1593 C ILE B 17 -10.016 2.508 -7.078 1.00 0.00 C ATOM 1594 O ILE B 17 -11.134 2.209 -7.494 1.00 0.00 O ATOM 1595 CB ILE B 17 -9.208 0.478 -5.823 1.00 0.00 C ATOM 1596 CG1 ILE B 17 -8.828 -0.114 -4.458 1.00 0.00 C ATOM 1597 CG2 ILE B 17 -8.087 0.226 -6.835 1.00 0.00 C ATOM 1598 CD1 ILE B 17 -7.617 0.510 -3.784 1.00 0.00 C ATOM 0 H ILE B 17 -11.372 1.569 -4.804 1.00 0.00 H new ATOM 0 HA ILE B 17 -8.654 2.525 -5.374 1.00 0.00 H new ATOM 0 HB ILE B 17 -10.109 -0.023 -6.177 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -9.683 -0.017 -3.789 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -8.642 -1.180 -4.584 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -7.876 -0.842 -6.886 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -8.397 0.582 -7.817 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -7.189 0.759 -6.523 1.00 0.00 H new ATOM 0 HD11 ILE B 17 -7.438 0.017 -2.828 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -6.742 0.390 -4.423 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -7.801 1.571 -3.616 1.00 0.00 H new ATOM 1610 N PRO B 18 -9.209 3.322 -7.771 1.00 0.00 N ATOM 1611 CA PRO B 18 -9.536 3.771 -9.111 1.00 0.00 C ATOM 1612 C PRO B 18 -9.546 2.586 -10.074 1.00 0.00 C ATOM 1613 O PRO B 18 -8.621 1.746 -10.057 1.00 0.00 O ATOM 1614 CB PRO B 18 -8.400 4.738 -9.490 1.00 0.00 C ATOM 1615 CG PRO B 18 -7.651 4.999 -8.227 1.00 0.00 C ATOM 1616 CD PRO B 18 -7.940 3.858 -7.296 1.00 0.00 C ATOM 0 HA PRO B 18 -10.518 4.241 -9.159 1.00 0.00 H new ATOM 0 HB2 PRO B 18 -7.750 4.300 -10.247 1.00 0.00 H new ATOM 0 HB3 PRO B 18 -8.797 5.663 -9.908 1.00 0.00 H new ATOM 0 HG2 PRO B 18 -6.581 5.075 -8.423 1.00 0.00 H new ATOM 0 HG3 PRO B 18 -7.962 5.945 -7.784 1.00 0.00 H new ATOM 0 HD2 PRO B 18 -7.152 3.106 -7.331 1.00 0.00 H new ATOM 0 HD3 PRO B 18 -8.012 4.196 -6.262 1.00 0.00 H new ATOM 1624 N ALA B 19 -10.564 2.522 -10.909 1.00 0.00 N ATOM 1625 CA ALA B 19 -10.726 1.455 -11.890 1.00 0.00 C ATOM 1626 C ALA B 19 -9.518 1.383 -12.830 1.00 0.00 C ATOM 1627 O ALA B 19 -9.136 0.307 -13.288 1.00 0.00 O ATOM 1628 CB ALA B 19 -12.016 1.657 -12.670 1.00 0.00 C ATOM 0 H ALA B 19 -11.313 3.214 -10.930 1.00 0.00 H new ATOM 0 HA ALA B 19 -10.786 0.503 -11.362 1.00 0.00 H new ATOM 0 HB1 ALA B 19 -12.129 0.856 -13.400 1.00 0.00 H new ATOM 0 HB2 ALA B 19 -12.862 1.644 -11.983 1.00 0.00 H new ATOM 0 HB3 ALA B 19 -11.983 2.616 -13.186 1.00 0.00 H new ATOM 1634 N THR B 20 -8.901 2.527 -13.065 1.00 0.00 N ATOM 1635 CA THR B 20 -7.702 2.618 -13.872 1.00 0.00 C ATOM 1636 C THR B 20 -6.531 1.811 -13.233 1.00 0.00 C ATOM 1637 O THR B 20 -5.746 1.179 -13.935 1.00 0.00 O ATOM 1638 CB THR B 20 -7.319 4.107 -14.062 1.00 0.00 C ATOM 1639 OG1 THR B 20 -8.425 4.791 -14.678 1.00 0.00 O ATOM 1640 CG2 THR B 20 -6.096 4.268 -14.949 1.00 0.00 C ATOM 0 H THR B 20 -9.221 3.423 -12.698 1.00 0.00 H new ATOM 0 HA THR B 20 -7.899 2.177 -14.849 1.00 0.00 H new ATOM 0 HB THR B 20 -7.087 4.525 -13.083 1.00 0.00 H new ATOM 0 HG1 THR B 20 -8.197 5.736 -14.803 1.00 0.00 H new ATOM 0 HG21 THR B 20 -5.861 5.327 -15.056 1.00 0.00 H new ATOM 0 HG22 THR B 20 -5.248 3.753 -14.497 1.00 0.00 H new ATOM 0 HG23 THR B 20 -6.300 3.840 -15.931 1.00 0.00 H new ATOM 1648 N LEU B 21 -6.469 1.792 -11.903 1.00 0.00 N ATOM 1649 CA LEU B 21 -5.422 1.056 -11.175 1.00 0.00 C ATOM 1650 C LEU B 21 -5.718 -0.398 -11.152 1.00 0.00 C ATOM 1651 O LEU B 21 -4.817 -1.226 -11.198 1.00 0.00 O ATOM 1652 CB LEU B 21 -5.274 1.573 -9.758 1.00 0.00 C ATOM 1653 CG LEU B 21 -4.310 2.725 -9.555 1.00 0.00 C ATOM 1654 CD1 LEU B 21 -2.873 2.238 -9.689 1.00 0.00 C ATOM 1655 CD2 LEU B 21 -4.559 3.839 -10.548 1.00 0.00 C ATOM 0 H LEU B 21 -7.132 2.279 -11.300 1.00 0.00 H new ATOM 0 HA LEU B 21 -4.482 1.217 -11.702 1.00 0.00 H new ATOM 0 HB2 LEU B 21 -6.257 1.884 -9.404 1.00 0.00 H new ATOM 0 HB3 LEU B 21 -4.955 0.745 -9.125 1.00 0.00 H new ATOM 0 HG LEU B 21 -4.473 3.117 -8.551 1.00 0.00 H new ATOM 0 HD11 LEU B 21 -2.190 3.075 -9.541 1.00 0.00 H new ATOM 0 HD12 LEU B 21 -2.677 1.472 -8.938 1.00 0.00 H new ATOM 0 HD13 LEU B 21 -2.722 1.818 -10.684 1.00 0.00 H new ATOM 0 HD21 LEU B 21 -3.850 4.648 -10.373 1.00 0.00 H new ATOM 0 HD22 LEU B 21 -4.432 3.458 -11.561 1.00 0.00 H new ATOM 0 HD23 LEU B 21 -5.575 4.215 -10.426 1.00 0.00 H new ATOM 1667 N MET B 22 -6.979 -0.695 -11.072 1.00 0.00 N ATOM 1668 CA MET B 22 -7.475 -2.073 -11.151 1.00 0.00 C ATOM 1669 C MET B 22 -6.956 -2.731 -12.410 1.00 0.00 C ATOM 1670 O MET B 22 -6.408 -3.842 -12.387 1.00 0.00 O ATOM 1671 CB MET B 22 -8.995 -2.090 -11.147 1.00 0.00 C ATOM 1672 CG MET B 22 -9.628 -1.592 -9.868 1.00 0.00 C ATOM 1673 SD MET B 22 -9.416 -2.717 -8.498 1.00 0.00 S ATOM 1674 CE MET B 22 -10.338 -4.108 -9.129 1.00 0.00 C ATOM 0 H MET B 22 -7.713 0.002 -10.949 1.00 0.00 H new ATOM 0 HA MET B 22 -7.118 -2.626 -10.282 1.00 0.00 H new ATOM 0 HB2 MET B 22 -9.354 -1.480 -11.976 1.00 0.00 H new ATOM 0 HB3 MET B 22 -9.334 -3.109 -11.331 1.00 0.00 H new ATOM 0 HG2 MET B 22 -9.195 -0.626 -9.608 1.00 0.00 H new ATOM 0 HG3 MET B 22 -10.693 -1.430 -10.036 1.00 0.00 H new ATOM 0 HE1 MET B 22 -10.592 -4.779 -8.308 1.00 0.00 H new ATOM 0 HE2 MET B 22 -11.253 -3.753 -9.603 1.00 0.00 H new ATOM 0 HE3 MET B 22 -9.734 -4.643 -9.861 1.00 0.00 H new ATOM 1684 N GLN B 23 -7.118 -2.022 -13.487 1.00 0.00 N ATOM 1685 CA GLN B 23 -6.606 -2.414 -14.782 1.00 0.00 C ATOM 1686 C GLN B 23 -5.088 -2.462 -14.778 1.00 0.00 C ATOM 1687 O GLN B 23 -4.492 -3.380 -15.330 1.00 0.00 O ATOM 1688 CB GLN B 23 -7.034 -1.407 -15.825 1.00 0.00 C ATOM 1689 CG GLN B 23 -8.521 -1.258 -15.959 1.00 0.00 C ATOM 1690 CD GLN B 23 -8.910 -0.201 -16.966 1.00 0.00 C ATOM 1691 OE1 GLN B 23 -8.207 0.038 -17.941 1.00 0.00 O ATOM 1692 NE2 GLN B 23 -9.999 0.461 -16.727 1.00 0.00 N ATOM 0 H GLN B 23 -7.620 -1.134 -13.498 1.00 0.00 H new ATOM 0 HA GLN B 23 -7.002 -3.404 -15.009 1.00 0.00 H new ATOM 0 HB2 GLN B 23 -6.603 -0.437 -15.576 1.00 0.00 H new ATOM 0 HB3 GLN B 23 -6.621 -1.701 -16.790 1.00 0.00 H new ATOM 0 HG2 GLN B 23 -8.953 -2.214 -16.256 1.00 0.00 H new ATOM 0 HG3 GLN B 23 -8.946 -1.004 -14.988 1.00 0.00 H new ATOM 0 HE21 GLN B 23 -10.562 0.237 -15.906 1.00 0.00 H new ATOM 0 HE22 GLN B 23 -10.293 1.205 -17.360 1.00 0.00 H new ATOM 1701 N ALA B 24 -4.478 -1.507 -14.095 1.00 0.00 N ATOM 1702 CA ALA B 24 -3.015 -1.340 -14.148 1.00 0.00 C ATOM 1703 C ALA B 24 -2.280 -2.477 -13.461 1.00 0.00 C ATOM 1704 O ALA B 24 -1.213 -2.894 -13.891 1.00 0.00 O ATOM 1705 CB ALA B 24 -2.602 -0.003 -13.547 1.00 0.00 C ATOM 0 H ALA B 24 -4.960 -0.834 -13.498 1.00 0.00 H new ATOM 0 HA ALA B 24 -2.732 -1.359 -15.200 1.00 0.00 H new ATOM 0 HB1 ALA B 24 -1.518 0.099 -13.597 1.00 0.00 H new ATOM 0 HB2 ALA B 24 -3.069 0.807 -14.107 1.00 0.00 H new ATOM 0 HB3 ALA B 24 -2.923 0.043 -12.506 1.00 0.00 H new ATOM 1711 N LEU B 25 -2.858 -2.973 -12.410 1.00 0.00 N ATOM 1712 CA LEU B 25 -2.246 -4.034 -11.632 1.00 0.00 C ATOM 1713 C LEU B 25 -2.836 -5.384 -11.981 1.00 0.00 C ATOM 1714 O LEU B 25 -2.378 -6.422 -11.503 1.00 0.00 O ATOM 1715 CB LEU B 25 -2.442 -3.732 -10.174 1.00 0.00 C ATOM 1716 CG LEU B 25 -1.740 -2.483 -9.683 1.00 0.00 C ATOM 1717 CD1 LEU B 25 -2.253 -2.122 -8.328 1.00 0.00 C ATOM 1718 CD2 LEU B 25 -0.238 -2.713 -9.636 1.00 0.00 C ATOM 0 H LEU B 25 -3.764 -2.663 -12.059 1.00 0.00 H new ATOM 0 HA LEU B 25 -1.182 -4.080 -11.863 1.00 0.00 H new ATOM 0 HB2 LEU B 25 -3.510 -3.632 -9.979 1.00 0.00 H new ATOM 0 HB3 LEU B 25 -2.090 -4.583 -9.591 1.00 0.00 H new ATOM 0 HG LEU B 25 -1.942 -1.662 -10.370 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -1.747 -1.223 -7.975 1.00 0.00 H new ATOM 0 HD12 LEU B 25 -3.326 -1.937 -8.382 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -2.061 -2.942 -7.636 1.00 0.00 H new ATOM 0 HD21 LEU B 25 0.258 -1.809 -9.282 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -0.017 -3.537 -8.958 1.00 0.00 H new ATOM 0 HD23 LEU B 25 0.124 -2.958 -10.635 1.00 0.00 H new ATOM 1730 N ASN B 26 -3.850 -5.340 -12.821 1.00 0.00 N ATOM 1731 CA ASN B 26 -4.589 -6.503 -13.304 1.00 0.00 C ATOM 1732 C ASN B 26 -5.267 -7.281 -12.177 1.00 0.00 C ATOM 1733 O ASN B 26 -4.897 -8.416 -11.847 1.00 0.00 O ATOM 1734 CB ASN B 26 -3.732 -7.432 -14.211 1.00 0.00 C ATOM 1735 CG ASN B 26 -4.529 -8.606 -14.792 1.00 0.00 C ATOM 1736 OD1 ASN B 26 -5.737 -8.500 -15.032 1.00 0.00 O ATOM 1737 ND2 ASN B 26 -3.867 -9.718 -15.021 1.00 0.00 N ATOM 0 H ASN B 26 -4.200 -4.462 -13.204 1.00 0.00 H new ATOM 0 HA ASN B 26 -5.384 -6.102 -13.933 1.00 0.00 H new ATOM 0 HB2 ASN B 26 -3.312 -6.846 -15.028 1.00 0.00 H new ATOM 0 HB3 ASN B 26 -2.893 -7.820 -13.634 1.00 0.00 H new ATOM 0 HD21 ASN B 26 -4.350 -10.528 -15.409 1.00 0.00 H new ATOM 0 HD22 ASN B 26 -2.870 -9.771 -14.811 1.00 0.00 H new ATOM 1744 N LEU B 27 -6.199 -6.644 -11.538 1.00 0.00 N ATOM 1745 CA LEU B 27 -7.007 -7.265 -10.573 1.00 0.00 C ATOM 1746 C LEU B 27 -8.445 -6.978 -10.903 1.00 0.00 C ATOM 1747 O LEU B 27 -8.726 -6.131 -11.763 1.00 0.00 O ATOM 1748 CB LEU B 27 -6.696 -6.800 -9.165 1.00 0.00 C ATOM 1749 CG LEU B 27 -6.863 -5.326 -8.846 1.00 0.00 C ATOM 1750 CD1 LEU B 27 -7.219 -5.195 -7.400 1.00 0.00 C ATOM 1751 CD2 LEU B 27 -5.579 -4.581 -9.102 1.00 0.00 C ATOM 0 H LEU B 27 -6.412 -5.658 -11.687 1.00 0.00 H new ATOM 0 HA LEU B 27 -6.807 -8.336 -10.598 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -7.330 -7.363 -8.480 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -5.665 -7.074 -8.943 1.00 0.00 H new ATOM 0 HG LEU B 27 -7.644 -4.906 -9.479 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -7.344 -4.141 -7.150 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -8.150 -5.727 -7.205 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -6.423 -5.621 -6.789 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -5.718 -3.526 -8.868 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -4.789 -4.991 -8.473 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -5.300 -4.686 -10.150 1.00 0.00 H new ATOM 1763 N ASN B 28 -9.333 -7.681 -10.272 1.00 0.00 N ATOM 1764 CA ASN B 28 -10.760 -7.504 -10.457 1.00 0.00 C ATOM 1765 C ASN B 28 -11.412 -7.598 -9.111 1.00 0.00 C ATOM 1766 O ASN B 28 -10.713 -7.710 -8.093 1.00 0.00 O ATOM 1767 CB ASN B 28 -11.361 -8.575 -11.397 1.00 0.00 C ATOM 1768 CG ASN B 28 -10.921 -8.448 -12.842 1.00 0.00 C ATOM 1769 OD1 ASN B 28 -11.541 -7.745 -13.635 1.00 0.00 O ATOM 1770 ND2 ASN B 28 -9.877 -9.137 -13.201 1.00 0.00 N ATOM 0 H ASN B 28 -9.094 -8.410 -9.600 1.00 0.00 H new ATOM 0 HA ASN B 28 -10.938 -6.533 -10.920 1.00 0.00 H new ATOM 0 HB2 ASN B 28 -11.083 -9.563 -11.029 1.00 0.00 H new ATOM 0 HB3 ASN B 28 -12.448 -8.513 -11.353 1.00 0.00 H new ATOM 0 HD21 ASN B 28 -9.551 -9.103 -14.167 1.00 0.00 H new ATOM 0 HD22 ASN B 28 -9.385 -9.711 -12.517 1.00 0.00 H new ATOM 1777 N ILE B 29 -12.719 -7.545 -9.078 1.00 0.00 N ATOM 1778 CA ILE B 29 -13.437 -7.681 -7.840 1.00 0.00 C ATOM 1779 C ILE B 29 -13.296 -9.133 -7.353 1.00 0.00 C ATOM 1780 O ILE B 29 -13.207 -10.053 -8.172 1.00 0.00 O ATOM 1781 CB ILE B 29 -14.942 -7.278 -8.003 1.00 0.00 C ATOM 1782 CG1 ILE B 29 -15.066 -5.817 -8.495 1.00 0.00 C ATOM 1783 CG2 ILE B 29 -15.707 -7.448 -6.698 1.00 0.00 C ATOM 1784 CD1 ILE B 29 -14.484 -4.778 -7.555 1.00 0.00 C ATOM 0 H ILE B 29 -13.308 -7.408 -9.899 1.00 0.00 H new ATOM 0 HA ILE B 29 -13.014 -7.004 -7.098 1.00 0.00 H new ATOM 0 HB ILE B 29 -15.379 -7.944 -8.747 1.00 0.00 H new ATOM 0 HG12 ILE B 29 -14.570 -5.731 -9.462 1.00 0.00 H new ATOM 0 HG13 ILE B 29 -16.120 -5.591 -8.656 1.00 0.00 H new ATOM 0 HG21 ILE B 29 -16.748 -7.160 -6.846 1.00 0.00 H new ATOM 0 HG22 ILE B 29 -15.661 -8.490 -6.382 1.00 0.00 H new ATOM 0 HG23 ILE B 29 -15.261 -6.816 -5.930 1.00 0.00 H new ATOM 0 HD11 ILE B 29 -14.617 -3.785 -7.983 1.00 0.00 H new ATOM 0 HD12 ILE B 29 -14.995 -4.830 -6.594 1.00 0.00 H new ATOM 0 HD13 ILE B 29 -13.421 -4.972 -7.412 1.00 0.00 H new ATOM 1796 N ASP B 30 -13.218 -9.300 -6.033 1.00 0.00 N ATOM 1797 CA ASP B 30 -13.042 -10.591 -5.353 1.00 0.00 C ATOM 1798 C ASP B 30 -11.612 -11.040 -5.312 1.00 0.00 C ATOM 1799 O ASP B 30 -11.324 -12.191 -4.956 1.00 0.00 O ATOM 1800 CB ASP B 30 -13.968 -11.707 -5.860 1.00 0.00 C ATOM 1801 CG ASP B 30 -15.156 -11.912 -4.971 1.00 0.00 C ATOM 1802 OD1 ASP B 30 -16.131 -11.130 -5.033 1.00 0.00 O ATOM 1803 OD2 ASP B 30 -15.150 -12.867 -4.170 1.00 0.00 O ATOM 0 H ASP B 30 -13.277 -8.517 -5.383 1.00 0.00 H new ATOM 0 HA ASP B 30 -13.352 -10.393 -4.327 1.00 0.00 H new ATOM 0 HB2 ASP B 30 -14.309 -11.463 -6.866 1.00 0.00 H new ATOM 0 HB3 ASP B 30 -13.406 -12.638 -5.930 1.00 0.00 H new ATOM 1808 N ASP B 31 -10.701 -10.137 -5.623 1.00 0.00 N ATOM 1809 CA ASP B 31 -9.302 -10.437 -5.542 1.00 0.00 C ATOM 1810 C ASP B 31 -8.913 -10.336 -4.097 1.00 0.00 C ATOM 1811 O ASP B 31 -9.240 -9.344 -3.422 1.00 0.00 O ATOM 1812 CB ASP B 31 -8.452 -9.483 -6.388 1.00 0.00 C ATOM 1813 CG ASP B 31 -7.059 -10.039 -6.643 1.00 0.00 C ATOM 1814 OD1 ASP B 31 -6.962 -11.026 -7.415 1.00 0.00 O ATOM 1815 OD2 ASP B 31 -6.061 -9.533 -6.096 1.00 0.00 O ATOM 0 H ASP B 31 -10.916 -9.190 -5.934 1.00 0.00 H new ATOM 0 HA ASP B 31 -9.122 -11.437 -5.937 1.00 0.00 H new ATOM 0 HB2 ASP B 31 -8.950 -9.301 -7.340 1.00 0.00 H new ATOM 0 HB3 ASP B 31 -8.372 -8.521 -5.881 1.00 0.00 H new ATOM 1820 N GLU B 32 -8.290 -11.353 -3.620 1.00 0.00 N ATOM 1821 CA GLU B 32 -7.923 -11.461 -2.256 1.00 0.00 C ATOM 1822 C GLU B 32 -6.588 -10.801 -2.086 1.00 0.00 C ATOM 1823 O GLU B 32 -5.611 -11.314 -2.546 1.00 0.00 O ATOM 1824 CB GLU B 32 -7.902 -12.958 -1.876 1.00 0.00 C ATOM 1825 CG GLU B 32 -7.581 -13.246 -0.430 1.00 0.00 C ATOM 1826 CD GLU B 32 -8.089 -14.605 0.034 1.00 0.00 C ATOM 1827 OE1 GLU B 32 -7.435 -15.628 -0.196 1.00 0.00 O ATOM 1828 OE2 GLU B 32 -9.196 -14.663 0.648 1.00 0.00 O ATOM 0 H GLU B 32 -8.014 -12.156 -4.185 1.00 0.00 H new ATOM 0 HA GLU B 32 -8.631 -10.964 -1.593 1.00 0.00 H new ATOM 0 HB2 GLU B 32 -8.875 -13.390 -2.109 1.00 0.00 H new ATOM 0 HB3 GLU B 32 -7.169 -13.466 -2.503 1.00 0.00 H new ATOM 0 HG2 GLU B 32 -6.501 -13.200 -0.287 1.00 0.00 H new ATOM 0 HG3 GLU B 32 -8.019 -12.468 0.195 1.00 0.00 H new ATOM 1835 N VAL B 33 -6.562 -9.628 -1.485 1.00 0.00 N ATOM 1836 CA VAL B 33 -5.309 -8.894 -1.372 1.00 0.00 C ATOM 1837 C VAL B 33 -4.770 -9.025 0.035 1.00 0.00 C ATOM 1838 O VAL B 33 -5.524 -9.348 0.965 1.00 0.00 O ATOM 1839 CB VAL B 33 -5.443 -7.366 -1.759 1.00 0.00 C ATOM 1840 CG1 VAL B 33 -6.402 -7.175 -2.895 1.00 0.00 C ATOM 1841 CG2 VAL B 33 -5.818 -6.460 -0.589 1.00 0.00 C ATOM 0 H VAL B 33 -7.374 -9.167 -1.074 1.00 0.00 H new ATOM 0 HA VAL B 33 -4.616 -9.336 -2.088 1.00 0.00 H new ATOM 0 HB VAL B 33 -4.445 -7.061 -2.074 1.00 0.00 H new ATOM 0 HG11 VAL B 33 -6.472 -6.115 -3.137 1.00 0.00 H new ATOM 0 HG12 VAL B 33 -6.047 -7.724 -3.767 1.00 0.00 H new ATOM 0 HG13 VAL B 33 -7.385 -7.547 -2.608 1.00 0.00 H new ATOM 0 HG21 VAL B 33 -5.890 -5.429 -0.936 1.00 0.00 H new ATOM 0 HG22 VAL B 33 -6.778 -6.773 -0.179 1.00 0.00 H new ATOM 0 HG23 VAL B 33 -5.053 -6.530 0.185 1.00 0.00 H new ATOM 1851 N LYS B 34 -3.499 -8.782 0.195 1.00 0.00 N ATOM 1852 CA LYS B 34 -2.882 -8.834 1.510 1.00 0.00 C ATOM 1853 C LYS B 34 -2.752 -7.443 2.077 1.00 0.00 C ATOM 1854 O LYS B 34 -2.272 -6.536 1.395 1.00 0.00 O ATOM 1855 CB LYS B 34 -1.472 -9.432 1.475 1.00 0.00 C ATOM 1856 CG LYS B 34 -1.352 -10.903 1.078 1.00 0.00 C ATOM 1857 CD LYS B 34 0.123 -11.349 1.043 1.00 0.00 C ATOM 1858 CE LYS B 34 0.914 -10.504 0.054 1.00 0.00 C ATOM 1859 NZ LYS B 34 2.348 -10.838 -0.024 1.00 0.00 N ATOM 0 H LYS B 34 -2.861 -8.545 -0.565 1.00 0.00 H new ATOM 0 HA LYS B 34 -3.528 -9.464 2.122 1.00 0.00 H new ATOM 0 HB2 LYS B 34 -0.872 -8.844 0.781 1.00 0.00 H new ATOM 0 HB3 LYS B 34 -1.028 -9.310 2.463 1.00 0.00 H new ATOM 0 HG2 LYS B 34 -1.905 -11.520 1.786 1.00 0.00 H new ATOM 0 HG3 LYS B 34 -1.805 -11.057 0.099 1.00 0.00 H new ATOM 0 HD2 LYS B 34 0.560 -11.259 2.038 1.00 0.00 H new ATOM 0 HD3 LYS B 34 0.184 -12.400 0.762 1.00 0.00 H new ATOM 0 HE2 LYS B 34 0.473 -10.618 -0.936 1.00 0.00 H new ATOM 0 HE3 LYS B 34 0.813 -9.454 0.330 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 2.886 -9.994 -0.307 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 2.679 -11.164 0.906 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 2.491 -11.591 -0.727 1.00 0.00 H new ATOM 1873 N ILE B 35 -3.206 -7.274 3.284 1.00 0.00 N ATOM 1874 CA ILE B 35 -2.950 -6.074 4.035 1.00 0.00 C ATOM 1875 C ILE B 35 -1.742 -6.357 4.898 1.00 0.00 C ATOM 1876 O ILE B 35 -1.825 -7.121 5.889 1.00 0.00 O ATOM 1877 CB ILE B 35 -4.154 -5.603 4.951 1.00 0.00 C ATOM 1878 CG1 ILE B 35 -5.366 -5.096 4.143 1.00 0.00 C ATOM 1879 CG2 ILE B 35 -3.712 -4.523 5.931 1.00 0.00 C ATOM 1880 CD1 ILE B 35 -6.105 -6.148 3.372 1.00 0.00 C ATOM 0 H ILE B 35 -3.767 -7.966 3.780 1.00 0.00 H new ATOM 0 HA ILE B 35 -2.794 -5.259 3.329 1.00 0.00 H new ATOM 0 HB ILE B 35 -4.470 -6.490 5.501 1.00 0.00 H new ATOM 0 HG12 ILE B 35 -6.063 -4.614 4.828 1.00 0.00 H new ATOM 0 HG13 ILE B 35 -5.023 -4.331 3.446 1.00 0.00 H new ATOM 0 HG21 ILE B 35 -4.560 -4.220 6.546 1.00 0.00 H new ATOM 0 HG22 ILE B 35 -2.921 -4.914 6.571 1.00 0.00 H new ATOM 0 HG23 ILE B 35 -3.338 -3.661 5.378 1.00 0.00 H new ATOM 0 HD11 ILE B 35 -6.938 -5.690 2.839 1.00 0.00 H new ATOM 0 HD12 ILE B 35 -5.430 -6.616 2.656 1.00 0.00 H new ATOM 0 HD13 ILE B 35 -6.485 -6.903 4.060 1.00 0.00 H new ATOM 1892 N ASP B 36 -0.631 -5.833 4.505 1.00 0.00 N ATOM 1893 CA ASP B 36 0.591 -6.053 5.225 1.00 0.00 C ATOM 1894 C ASP B 36 1.138 -4.705 5.645 1.00 0.00 C ATOM 1895 O ASP B 36 1.182 -3.783 4.847 1.00 0.00 O ATOM 1896 CB ASP B 36 1.561 -6.853 4.342 1.00 0.00 C ATOM 1897 CG ASP B 36 2.815 -7.291 5.050 1.00 0.00 C ATOM 1898 OD1 ASP B 36 2.728 -7.828 6.176 1.00 0.00 O ATOM 1899 OD2 ASP B 36 3.906 -7.196 4.458 1.00 0.00 O ATOM 0 H ASP B 36 -0.537 -5.241 3.680 1.00 0.00 H new ATOM 0 HA ASP B 36 0.432 -6.643 6.127 1.00 0.00 H new ATOM 0 HB2 ASP B 36 1.045 -7.734 3.960 1.00 0.00 H new ATOM 0 HB3 ASP B 36 1.836 -6.246 3.480 1.00 0.00 H new ATOM 1904 N LEU B 37 1.460 -4.552 6.899 1.00 0.00 N ATOM 1905 CA LEU B 37 1.875 -3.325 7.404 1.00 0.00 C ATOM 1906 C LEU B 37 3.388 -3.290 7.425 1.00 0.00 C ATOM 1907 O LEU B 37 4.047 -4.161 8.002 1.00 0.00 O ATOM 1908 CB LEU B 37 1.295 -3.174 8.807 1.00 0.00 C ATOM 1909 CG LEU B 37 1.113 -1.765 9.352 1.00 0.00 C ATOM 1910 CD1 LEU B 37 2.410 -1.036 9.431 1.00 0.00 C ATOM 1911 CD2 LEU B 37 0.099 -1.009 8.532 1.00 0.00 C ATOM 0 H LEU B 37 1.433 -5.303 7.589 1.00 0.00 H new ATOM 0 HA LEU B 37 1.526 -2.499 6.784 1.00 0.00 H new ATOM 0 HB2 LEU B 37 0.323 -3.667 8.822 1.00 0.00 H new ATOM 0 HB3 LEU B 37 1.940 -3.719 9.496 1.00 0.00 H new ATOM 0 HG LEU B 37 0.732 -1.843 10.370 1.00 0.00 H new ATOM 0 HD11 LEU B 37 2.241 -0.034 9.824 1.00 0.00 H new ATOM 0 HD12 LEU B 37 3.091 -1.575 10.091 1.00 0.00 H new ATOM 0 HD13 LEU B 37 2.849 -0.966 8.436 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -0.019 -0.003 8.936 1.00 0.00 H new ATOM 0 HD22 LEU B 37 0.440 -0.947 7.498 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -0.858 -1.529 8.568 1.00 0.00 H new ATOM 1923 N VAL B 38 3.910 -2.277 6.831 1.00 0.00 N ATOM 1924 CA VAL B 38 5.351 -2.053 6.703 1.00 0.00 C ATOM 1925 C VAL B 38 5.591 -0.551 6.744 1.00 0.00 C ATOM 1926 O VAL B 38 4.834 0.189 6.133 1.00 0.00 O ATOM 1927 CB VAL B 38 5.915 -2.594 5.339 1.00 0.00 C ATOM 1928 CG1 VAL B 38 7.421 -2.405 5.251 1.00 0.00 C ATOM 1929 CG2 VAL B 38 5.561 -4.060 5.092 1.00 0.00 C ATOM 0 H VAL B 38 3.349 -1.543 6.398 1.00 0.00 H new ATOM 0 HA VAL B 38 5.854 -2.580 7.513 1.00 0.00 H new ATOM 0 HB VAL B 38 5.434 -2.004 4.559 1.00 0.00 H new ATOM 0 HG11 VAL B 38 7.781 -2.789 4.296 1.00 0.00 H new ATOM 0 HG12 VAL B 38 7.660 -1.344 5.329 1.00 0.00 H new ATOM 0 HG13 VAL B 38 7.904 -2.946 6.065 1.00 0.00 H new ATOM 0 HG21 VAL B 38 5.976 -4.379 4.136 1.00 0.00 H new ATOM 0 HG22 VAL B 38 5.976 -4.674 5.891 1.00 0.00 H new ATOM 0 HG23 VAL B 38 4.477 -4.174 5.073 1.00 0.00 H new ATOM 1939 N ASP B 39 6.589 -0.105 7.515 1.00 0.00 N ATOM 1940 CA ASP B 39 6.992 1.333 7.614 1.00 0.00 C ATOM 1941 C ASP B 39 5.864 2.241 8.054 1.00 0.00 C ATOM 1942 O ASP B 39 5.912 3.451 7.843 1.00 0.00 O ATOM 1943 CB ASP B 39 7.617 1.855 6.299 1.00 0.00 C ATOM 1944 CG ASP B 39 9.051 1.421 6.102 1.00 0.00 C ATOM 1945 OD1 ASP B 39 9.288 0.259 5.716 1.00 0.00 O ATOM 1946 OD2 ASP B 39 9.984 2.246 6.327 1.00 0.00 O ATOM 0 H ASP B 39 7.154 -0.723 8.098 1.00 0.00 H new ATOM 0 HA ASP B 39 7.753 1.362 8.394 1.00 0.00 H new ATOM 0 HB2 ASP B 39 7.020 1.504 5.457 1.00 0.00 H new ATOM 0 HB3 ASP B 39 7.570 2.944 6.291 1.00 0.00 H new ATOM 1951 N GLY B 40 4.878 1.666 8.703 1.00 0.00 N ATOM 1952 CA GLY B 40 3.754 2.432 9.166 1.00 0.00 C ATOM 1953 C GLY B 40 2.805 2.813 8.050 1.00 0.00 C ATOM 1954 O GLY B 40 2.056 3.782 8.176 1.00 0.00 O ATOM 0 H GLY B 40 4.835 0.670 8.920 1.00 0.00 H new ATOM 0 HA2 GLY B 40 3.212 1.857 9.917 1.00 0.00 H new ATOM 0 HA3 GLY B 40 4.114 3.337 9.656 1.00 0.00 H new ATOM 1958 N LYS B 41 2.848 2.085 6.957 1.00 0.00 N ATOM 1959 CA LYS B 41 1.946 2.317 5.869 1.00 0.00 C ATOM 1960 C LYS B 41 1.324 1.009 5.473 1.00 0.00 C ATOM 1961 O LYS B 41 1.860 -0.068 5.792 1.00 0.00 O ATOM 1962 CB LYS B 41 2.658 3.009 4.677 1.00 0.00 C ATOM 1963 CG LYS B 41 3.765 2.217 4.012 1.00 0.00 C ATOM 1964 CD LYS B 41 4.669 3.124 3.183 1.00 0.00 C ATOM 1965 CE LYS B 41 5.824 2.356 2.563 1.00 0.00 C ATOM 1966 NZ LYS B 41 6.746 3.247 1.825 1.00 0.00 N ATOM 0 H LYS B 41 3.507 1.322 6.805 1.00 0.00 H new ATOM 0 HA LYS B 41 1.159 3.002 6.187 1.00 0.00 H new ATOM 0 HB2 LYS B 41 1.909 3.251 3.923 1.00 0.00 H new ATOM 0 HB3 LYS B 41 3.074 3.953 5.027 1.00 0.00 H new ATOM 0 HG2 LYS B 41 4.356 1.705 4.771 1.00 0.00 H new ATOM 0 HG3 LYS B 41 3.332 1.448 3.373 1.00 0.00 H new ATOM 0 HD2 LYS B 41 4.084 3.599 2.395 1.00 0.00 H new ATOM 0 HD3 LYS B 41 5.060 3.922 3.814 1.00 0.00 H new ATOM 0 HE2 LYS B 41 6.374 1.833 3.345 1.00 0.00 H new ATOM 0 HE3 LYS B 41 5.433 1.597 1.886 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 7.520 2.685 1.417 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 6.228 3.728 1.062 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 7.139 3.956 2.476 1.00 0.00 H new ATOM 1980 N LEU B 42 0.212 1.085 4.828 1.00 0.00 N ATOM 1981 CA LEU B 42 -0.490 -0.078 4.402 1.00 0.00 C ATOM 1982 C LEU B 42 0.041 -0.500 3.092 1.00 0.00 C ATOM 1983 O LEU B 42 0.035 0.261 2.114 1.00 0.00 O ATOM 1984 CB LEU B 42 -1.983 0.191 4.340 1.00 0.00 C ATOM 1985 CG LEU B 42 -2.661 0.347 5.679 1.00 0.00 C ATOM 1986 CD1 LEU B 42 -4.002 1.046 5.526 1.00 0.00 C ATOM 1987 CD2 LEU B 42 -2.865 -1.006 6.332 1.00 0.00 C ATOM 0 H LEU B 42 -0.241 1.964 4.578 1.00 0.00 H new ATOM 0 HA LEU B 42 -0.342 -0.885 5.120 1.00 0.00 H new ATOM 0 HB2 LEU B 42 -2.149 1.098 3.758 1.00 0.00 H new ATOM 0 HB3 LEU B 42 -2.462 -0.626 3.801 1.00 0.00 H new ATOM 0 HG LEU B 42 -2.016 0.956 6.312 1.00 0.00 H new ATOM 0 HD11 LEU B 42 -4.473 1.148 6.504 1.00 0.00 H new ATOM 0 HD12 LEU B 42 -3.850 2.034 5.092 1.00 0.00 H new ATOM 0 HD13 LEU B 42 -4.646 0.458 4.872 1.00 0.00 H new ATOM 0 HD21 LEU B 42 -3.355 -0.874 7.297 1.00 0.00 H new ATOM 0 HD22 LEU B 42 -3.488 -1.629 5.691 1.00 0.00 H new ATOM 0 HD23 LEU B 42 -1.899 -1.488 6.479 1.00 0.00 H new ATOM 1999 N ILE B 43 0.567 -1.653 3.086 1.00 0.00 N ATOM 2000 CA ILE B 43 1.108 -2.218 1.911 1.00 0.00 C ATOM 2001 C ILE B 43 0.073 -3.125 1.352 1.00 0.00 C ATOM 2002 O ILE B 43 -0.389 -4.062 2.020 1.00 0.00 O ATOM 2003 CB ILE B 43 2.406 -2.970 2.206 1.00 0.00 C ATOM 2004 CG1 ILE B 43 3.466 -2.036 2.793 1.00 0.00 C ATOM 2005 CG2 ILE B 43 2.926 -3.763 1.015 1.00 0.00 C ATOM 2006 CD1 ILE B 43 3.772 -0.806 1.971 1.00 0.00 C ATOM 0 H ILE B 43 0.639 -2.249 3.911 1.00 0.00 H new ATOM 0 HA ILE B 43 1.364 -1.440 1.192 1.00 0.00 H new ATOM 0 HB ILE B 43 2.168 -3.716 2.965 1.00 0.00 H new ATOM 0 HG12 ILE B 43 3.138 -1.719 3.783 1.00 0.00 H new ATOM 0 HG13 ILE B 43 4.389 -2.601 2.929 1.00 0.00 H new ATOM 0 HG21 ILE B 43 3.849 -4.272 1.292 1.00 0.00 H new ATOM 0 HG22 ILE B 43 2.181 -4.500 0.715 1.00 0.00 H new ATOM 0 HG23 ILE B 43 3.121 -3.085 0.184 1.00 0.00 H new ATOM 0 HD11 ILE B 43 4.535 -0.212 2.475 1.00 0.00 H new ATOM 0 HD12 ILE B 43 4.136 -1.106 0.988 1.00 0.00 H new ATOM 0 HD13 ILE B 43 2.866 -0.211 1.856 1.00 0.00 H new ATOM 2018 N ILE B 44 -0.323 -2.823 0.172 1.00 0.00 N ATOM 2019 CA ILE B 44 -1.387 -3.524 -0.460 1.00 0.00 C ATOM 2020 C ILE B 44 -0.875 -4.144 -1.733 1.00 0.00 C ATOM 2021 O ILE B 44 -0.472 -3.451 -2.671 1.00 0.00 O ATOM 2022 CB ILE B 44 -2.599 -2.584 -0.757 1.00 0.00 C ATOM 2023 CG1 ILE B 44 -3.171 -1.963 0.542 1.00 0.00 C ATOM 2024 CG2 ILE B 44 -3.699 -3.306 -1.541 1.00 0.00 C ATOM 2025 CD1 ILE B 44 -3.699 -2.964 1.552 1.00 0.00 C ATOM 0 H ILE B 44 0.083 -2.076 -0.391 1.00 0.00 H new ATOM 0 HA ILE B 44 -1.743 -4.303 0.214 1.00 0.00 H new ATOM 0 HB ILE B 44 -2.223 -1.773 -1.380 1.00 0.00 H new ATOM 0 HG12 ILE B 44 -2.391 -1.368 1.017 1.00 0.00 H new ATOM 0 HG13 ILE B 44 -3.977 -1.279 0.276 1.00 0.00 H new ATOM 0 HG21 ILE B 44 -4.524 -2.618 -1.728 1.00 0.00 H new ATOM 0 HG22 ILE B 44 -3.298 -3.657 -2.491 1.00 0.00 H new ATOM 0 HG23 ILE B 44 -4.059 -4.157 -0.963 1.00 0.00 H new ATOM 0 HD11 ILE B 44 -4.078 -2.434 2.426 1.00 0.00 H new ATOM 0 HD12 ILE B 44 -4.505 -3.544 1.102 1.00 0.00 H new ATOM 0 HD13 ILE B 44 -2.895 -3.634 1.855 1.00 0.00 H new ATOM 2037 N GLU B 45 -0.875 -5.427 -1.762 1.00 0.00 N ATOM 2038 CA GLU B 45 -0.411 -6.157 -2.907 1.00 0.00 C ATOM 2039 C GLU B 45 -1.542 -7.067 -3.295 1.00 0.00 C ATOM 2040 O GLU B 45 -2.292 -7.517 -2.407 1.00 0.00 O ATOM 2041 CB GLU B 45 0.809 -7.037 -2.582 1.00 0.00 C ATOM 2042 CG GLU B 45 2.078 -6.353 -2.073 1.00 0.00 C ATOM 2043 CD GLU B 45 3.170 -7.365 -1.758 1.00 0.00 C ATOM 2044 OE1 GLU B 45 2.998 -8.187 -0.828 1.00 0.00 O ATOM 2045 OE2 GLU B 45 4.240 -7.332 -2.408 1.00 0.00 O ATOM 0 H GLU B 45 -1.197 -6.013 -0.992 1.00 0.00 H new ATOM 0 HA GLU B 45 -0.115 -5.459 -3.690 1.00 0.00 H new ATOM 0 HB2 GLU B 45 0.502 -7.768 -1.834 1.00 0.00 H new ATOM 0 HB3 GLU B 45 1.069 -7.592 -3.483 1.00 0.00 H new ATOM 0 HG2 GLU B 45 2.439 -5.649 -2.823 1.00 0.00 H new ATOM 0 HG3 GLU B 45 1.847 -5.775 -1.178 1.00 0.00 H new ATOM 2052 N PRO B 46 -1.703 -7.385 -4.569 1.00 0.00 N ATOM 2053 CA PRO B 46 -2.733 -8.248 -4.997 1.00 0.00 C ATOM 2054 C PRO B 46 -2.234 -9.664 -4.963 1.00 0.00 C ATOM 2055 O PRO B 46 -1.007 -9.939 -5.016 1.00 0.00 O ATOM 2056 CB PRO B 46 -3.027 -7.800 -6.423 1.00 0.00 C ATOM 2057 CG PRO B 46 -1.905 -6.902 -6.794 1.00 0.00 C ATOM 2058 CD PRO B 46 -0.878 -6.997 -5.694 1.00 0.00 C ATOM 0 HA PRO B 46 -3.625 -8.210 -4.371 1.00 0.00 H new ATOM 0 HB2 PRO B 46 -3.087 -8.653 -7.098 1.00 0.00 H new ATOM 0 HB3 PRO B 46 -3.983 -7.279 -6.482 1.00 0.00 H new ATOM 0 HG2 PRO B 46 -1.474 -7.199 -7.750 1.00 0.00 H new ATOM 0 HG3 PRO B 46 -2.254 -5.876 -6.907 1.00 0.00 H new ATOM 0 HD2 PRO B 46 -0.108 -7.736 -5.913 1.00 0.00 H new ATOM 0 HD3 PRO B 46 -0.370 -6.048 -5.523 1.00 0.00 H new ATOM 2066 N VAL B 47 -3.119 -10.537 -4.854 1.00 0.00 N ATOM 2067 CA VAL B 47 -2.767 -11.937 -4.684 1.00 0.00 C ATOM 2068 C VAL B 47 -3.548 -12.806 -5.606 1.00 0.00 C ATOM 2069 O VAL B 47 -4.778 -12.773 -5.621 1.00 0.00 O ATOM 2070 CB VAL B 47 -3.048 -12.438 -3.250 1.00 0.00 C ATOM 2071 CG1 VAL B 47 -2.509 -13.798 -3.013 1.00 0.00 C ATOM 2072 CG2 VAL B 47 -2.533 -11.515 -2.230 1.00 0.00 C ATOM 0 H VAL B 47 -4.121 -10.347 -4.874 1.00 0.00 H new ATOM 0 HA VAL B 47 -1.700 -11.999 -4.900 1.00 0.00 H new ATOM 0 HB VAL B 47 -4.133 -12.480 -3.160 1.00 0.00 H new ATOM 0 HG11 VAL B 47 -2.732 -14.105 -1.991 1.00 0.00 H new ATOM 0 HG12 VAL B 47 -2.968 -14.498 -3.711 1.00 0.00 H new ATOM 0 HG13 VAL B 47 -1.429 -13.793 -3.163 1.00 0.00 H new ATOM 0 HG21 VAL B 47 -2.754 -11.909 -1.238 1.00 0.00 H new ATOM 0 HG22 VAL B 47 -1.454 -11.409 -2.346 1.00 0.00 H new ATOM 0 HG23 VAL B 47 -3.008 -10.541 -2.348 1.00 0.00 H new