USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=18 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 HE2:sc= 1.07 K(o=1.1,f=-3.2!) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -1.26 USER MOD Single : A 7 LYS NZ :NH3+ 179:sc= 1.21 (180deg=1.14) USER MOD Single : A 11 ASN : amide:sc= 0.0858 K(o=0.086,f=-3.3!) USER MOD Single : A 12 SER OG : rot -80:sc= 0.878 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.0154 USER MOD Single : A 22 MET CE :methyl -166:sc= -0.599 (180deg=-1.13) USER MOD Single : A 23 GLN : amide:sc= 0.28 X(o=0.28,f=0) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 ASN : amide:sc= -0.537 K(o=-0.54,f=0) USER MOD Single : A 34 LYS NZ :NH3+ -154:sc= 1.94 (180deg=0.95) USER MOD Single : A 41 LYS NZ :NH3+ -177:sc= 1.29 (180deg=1.24) USER MOD Single : B 3 HIS : no HE2:sc= 1.2 K(o=1.2,f=-3.8!) USER MOD Single : B 4 SER OG : rot 180:sc= 0 USER MOD Single : B 5 SER OG : rot 180:sc= -1.75! USER MOD Single : B 7 LYS NZ :NH3+ -159:sc= 1.14 (180deg=1.01) USER MOD Single : B 11 ASN : amide:sc= 0.0542 K(o=0.054,f=-2.8!) USER MOD Single : B 12 SER OG : rot -80:sc= 0.768 USER MOD Single : B 20 THR OG1 : rot 180:sc= 0.00343 USER MOD Single : B 22 MET CE :methyl -167:sc= -0.621 (180deg=-1.18) USER MOD Single : B 23 GLN : amide:sc= 0.17 X(o=0.17,f=0) USER MOD Single : B 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 28 ASN : amide:sc= -2.21! K(o=-2.2!,f=0) USER MOD Single : B 34 LYS NZ :NH3+ -149:sc= 1.81 (180deg=0.928) USER MOD Single : B 41 LYS NZ :NH3+ -171:sc= 1.23 (180deg=1.15) USER MOD ----------------------------------------------------------------- ATOM 279 N ILE A 2 -2.374 -9.795 6.153 1.00 0.00 N ATOM 280 CA ILE A 2 -3.809 -9.945 6.139 1.00 0.00 C ATOM 281 C ILE A 2 -4.231 -10.190 4.705 1.00 0.00 C ATOM 282 O ILE A 2 -3.838 -9.442 3.824 1.00 0.00 O ATOM 283 CB ILE A 2 -4.525 -8.667 6.673 1.00 0.00 C ATOM 284 CG1 ILE A 2 -4.014 -8.319 8.086 1.00 0.00 C ATOM 285 CG2 ILE A 2 -6.048 -8.860 6.681 1.00 0.00 C ATOM 286 CD1 ILE A 2 -4.624 -7.063 8.686 1.00 0.00 C ATOM 0 HA ILE A 2 -4.089 -10.776 6.787 1.00 0.00 H new ATOM 0 HB ILE A 2 -4.293 -7.837 6.006 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -4.218 -9.159 8.749 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -2.931 -8.199 8.048 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -6.527 -7.956 7.057 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -6.395 -9.060 5.667 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -6.305 -9.702 7.324 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -4.208 -6.895 9.679 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -4.398 -6.208 8.048 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -5.705 -7.184 8.761 1.00 0.00 H new ATOM 298 N HIS A 3 -4.987 -11.226 4.453 1.00 0.00 N ATOM 299 CA HIS A 3 -5.425 -11.486 3.095 1.00 0.00 C ATOM 300 C HIS A 3 -6.932 -11.346 2.966 1.00 0.00 C ATOM 301 O HIS A 3 -7.704 -12.147 3.484 1.00 0.00 O ATOM 302 CB HIS A 3 -4.864 -12.813 2.477 1.00 0.00 C ATOM 303 CG HIS A 3 -5.241 -14.103 3.164 1.00 0.00 C ATOM 304 ND1 HIS A 3 -6.161 -15.004 2.664 1.00 0.00 N ATOM 305 CD2 HIS A 3 -4.777 -14.648 4.314 1.00 0.00 C ATOM 306 CE1 HIS A 3 -6.232 -16.032 3.510 1.00 0.00 C ATOM 307 NE2 HIS A 3 -5.408 -15.865 4.533 1.00 0.00 N ATOM 0 H HIS A 3 -5.311 -11.896 5.151 1.00 0.00 H new ATOM 0 HA HIS A 3 -4.976 -10.709 2.477 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -5.197 -12.871 1.441 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -3.776 -12.745 2.459 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -6.693 -14.901 1.800 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -4.033 -14.205 4.959 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -6.877 -16.888 3.378 1.00 0.00 H new ATOM 315 N SER A 4 -7.316 -10.299 2.315 1.00 0.00 N ATOM 316 CA SER A 4 -8.696 -9.930 2.085 1.00 0.00 C ATOM 317 C SER A 4 -8.948 -9.877 0.592 1.00 0.00 C ATOM 318 O SER A 4 -8.186 -10.436 -0.155 1.00 0.00 O ATOM 319 CB SER A 4 -8.949 -8.575 2.730 1.00 0.00 C ATOM 320 OG SER A 4 -8.975 -8.675 4.149 1.00 0.00 O ATOM 0 H SER A 4 -6.655 -9.639 1.905 1.00 0.00 H new ATOM 0 HA SER A 4 -9.374 -10.662 2.524 1.00 0.00 H new ATOM 0 HB2 SER A 4 -8.171 -7.875 2.427 1.00 0.00 H new ATOM 0 HB3 SER A 4 -9.897 -8.172 2.374 1.00 0.00 H new ATOM 0 HG SER A 4 -9.138 -7.790 4.536 1.00 0.00 H new ATOM 326 N SER A 5 -9.991 -9.219 0.161 1.00 0.00 N ATOM 327 CA SER A 5 -10.296 -9.138 -1.234 1.00 0.00 C ATOM 328 C SER A 5 -10.974 -7.819 -1.571 1.00 0.00 C ATOM 329 O SER A 5 -11.639 -7.215 -0.720 1.00 0.00 O ATOM 330 CB SER A 5 -11.123 -10.366 -1.685 1.00 0.00 C ATOM 331 OG SER A 5 -12.181 -10.656 -0.784 1.00 0.00 O ATOM 0 H SER A 5 -10.648 -8.728 0.767 1.00 0.00 H new ATOM 0 HA SER A 5 -9.363 -9.159 -1.797 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.533 -10.182 -2.678 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.468 -11.234 -1.766 1.00 0.00 H new ATOM 0 HG SER A 5 -12.680 -11.436 -1.105 1.00 0.00 H new ATOM 337 N VAL A 6 -10.746 -7.349 -2.776 1.00 0.00 N ATOM 338 CA VAL A 6 -11.341 -6.109 -3.254 1.00 0.00 C ATOM 339 C VAL A 6 -12.768 -6.368 -3.621 1.00 0.00 C ATOM 340 O VAL A 6 -13.035 -7.171 -4.499 1.00 0.00 O ATOM 341 CB VAL A 6 -10.614 -5.587 -4.509 1.00 0.00 C ATOM 342 CG1 VAL A 6 -11.174 -4.248 -4.965 1.00 0.00 C ATOM 343 CG2 VAL A 6 -9.151 -5.488 -4.244 1.00 0.00 C ATOM 0 H VAL A 6 -10.144 -7.811 -3.457 1.00 0.00 H new ATOM 0 HA VAL A 6 -11.261 -5.365 -2.461 1.00 0.00 H new ATOM 0 HB VAL A 6 -10.780 -6.298 -5.318 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -10.637 -3.912 -5.852 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -12.232 -4.358 -5.202 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -11.055 -3.513 -4.169 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -8.644 -5.118 -5.135 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -8.977 -4.801 -3.416 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -8.760 -6.472 -3.986 1.00 0.00 H new ATOM 353 N LYS A 7 -13.670 -5.718 -2.982 1.00 0.00 N ATOM 354 CA LYS A 7 -15.049 -5.935 -3.275 1.00 0.00 C ATOM 355 C LYS A 7 -15.578 -4.708 -3.994 1.00 0.00 C ATOM 356 O LYS A 7 -14.878 -3.706 -4.091 1.00 0.00 O ATOM 357 CB LYS A 7 -15.806 -6.199 -1.994 1.00 0.00 C ATOM 358 CG LYS A 7 -15.342 -7.412 -1.197 1.00 0.00 C ATOM 359 CD LYS A 7 -15.659 -8.715 -1.906 1.00 0.00 C ATOM 360 CE LYS A 7 -15.330 -9.902 -1.015 1.00 0.00 C ATOM 361 NZ LYS A 7 -15.799 -11.185 -1.573 1.00 0.00 N ATOM 0 H LYS A 7 -13.484 -5.030 -2.252 1.00 0.00 H new ATOM 0 HA LYS A 7 -15.179 -6.806 -3.917 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -15.729 -5.317 -1.358 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -16.861 -6.326 -2.236 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -14.267 -7.344 -1.027 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -15.821 -7.407 -0.218 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -16.714 -8.740 -2.179 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -15.088 -8.779 -2.832 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -14.251 -9.949 -0.865 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -15.782 -9.751 -0.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -15.533 -11.960 -0.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -16.834 -11.161 -1.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -15.362 -11.339 -2.504 1.00 0.00 H new ATOM 375 N ARG A 8 -16.768 -4.766 -4.508 1.00 0.00 N ATOM 376 CA ARG A 8 -17.297 -3.639 -5.224 1.00 0.00 C ATOM 377 C ARG A 8 -18.371 -2.923 -4.424 1.00 0.00 C ATOM 378 O ARG A 8 -19.406 -3.494 -4.102 1.00 0.00 O ATOM 379 CB ARG A 8 -17.828 -4.043 -6.580 1.00 0.00 C ATOM 380 CG ARG A 8 -18.245 -2.856 -7.416 1.00 0.00 C ATOM 381 CD ARG A 8 -18.718 -3.295 -8.762 1.00 0.00 C ATOM 382 NE ARG A 8 -17.630 -3.695 -9.668 1.00 0.00 N ATOM 383 CZ ARG A 8 -17.748 -4.626 -10.637 1.00 0.00 C ATOM 384 NH1 ARG A 8 -18.845 -5.379 -10.726 1.00 0.00 N ATOM 385 NH2 ARG A 8 -16.758 -4.817 -11.492 1.00 0.00 N ATOM 0 H ARG A 8 -17.389 -5.573 -4.448 1.00 0.00 H new ATOM 0 HA ARG A 8 -16.471 -2.944 -5.377 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -17.063 -4.607 -7.113 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -18.681 -4.708 -6.449 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -19.039 -2.308 -6.908 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -17.405 -2.170 -7.527 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -19.405 -4.133 -8.641 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -19.282 -2.484 -9.222 1.00 0.00 H new ATOM 0 HE ARG A 8 -16.725 -3.237 -9.556 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -19.605 -5.254 -10.057 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -18.924 -6.080 -11.463 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -15.906 -4.261 -11.419 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -16.846 -5.521 -12.225 1.00 0.00 H new ATOM 399 N TRP A 9 -18.109 -1.697 -4.108 1.00 0.00 N ATOM 400 CA TRP A 9 -19.015 -0.840 -3.387 1.00 0.00 C ATOM 401 C TRP A 9 -19.620 0.113 -4.393 1.00 0.00 C ATOM 402 O TRP A 9 -18.976 1.086 -4.804 1.00 0.00 O ATOM 403 CB TRP A 9 -18.214 -0.093 -2.311 1.00 0.00 C ATOM 404 CG TRP A 9 -18.940 0.918 -1.481 1.00 0.00 C ATOM 405 CD1 TRP A 9 -20.273 0.986 -1.230 1.00 0.00 C ATOM 406 CD2 TRP A 9 -18.349 2.010 -0.747 1.00 0.00 C ATOM 407 NE1 TRP A 9 -20.534 2.009 -0.380 1.00 0.00 N ATOM 408 CE2 TRP A 9 -19.400 2.667 -0.093 1.00 0.00 C ATOM 409 CE3 TRP A 9 -17.040 2.506 -0.572 1.00 0.00 C ATOM 410 CZ2 TRP A 9 -19.210 3.763 0.704 1.00 0.00 C ATOM 411 CZ3 TRP A 9 -16.862 3.599 0.220 1.00 0.00 C ATOM 412 CH2 TRP A 9 -17.953 4.220 0.846 1.00 0.00 C ATOM 0 H TRP A 9 -17.229 -1.241 -4.350 1.00 0.00 H new ATOM 0 HA TRP A 9 -19.813 -1.395 -2.893 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -17.785 -0.834 -1.637 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -17.382 0.411 -2.802 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -21.016 0.322 -1.647 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -21.456 2.244 -0.013 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -16.199 2.030 -1.055 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -20.040 4.244 1.201 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -15.868 3.993 0.368 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -17.778 5.091 1.460 1.00 0.00 H new ATOM 423 N GLY A 10 -20.815 -0.197 -4.844 1.00 0.00 N ATOM 424 CA GLY A 10 -21.435 0.591 -5.868 1.00 0.00 C ATOM 425 C GLY A 10 -20.718 0.353 -7.161 1.00 0.00 C ATOM 426 O GLY A 10 -20.640 -0.784 -7.622 1.00 0.00 O ATOM 0 H GLY A 10 -21.370 -0.987 -4.515 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -22.487 0.323 -5.965 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -21.398 1.648 -5.605 1.00 0.00 H new ATOM 430 N ASN A 11 -20.180 1.383 -7.738 1.00 0.00 N ATOM 431 CA ASN A 11 -19.355 1.221 -8.925 1.00 0.00 C ATOM 432 C ASN A 11 -17.874 1.454 -8.587 1.00 0.00 C ATOM 433 O ASN A 11 -17.069 1.774 -9.469 1.00 0.00 O ATOM 434 CB ASN A 11 -19.788 2.182 -10.047 1.00 0.00 C ATOM 435 CG ASN A 11 -19.538 3.653 -9.744 1.00 0.00 C ATOM 436 OD1 ASN A 11 -19.593 4.097 -8.593 1.00 0.00 O ATOM 437 ND2 ASN A 11 -19.262 4.411 -10.768 1.00 0.00 N ATOM 0 H ASN A 11 -20.288 2.346 -7.419 1.00 0.00 H new ATOM 0 HA ASN A 11 -19.488 0.199 -9.279 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -19.258 1.916 -10.962 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -20.851 2.039 -10.242 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -19.083 5.406 -10.632 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -19.225 4.009 -11.705 1.00 0.00 H new ATOM 444 N SER A 12 -17.493 1.228 -7.345 1.00 0.00 N ATOM 445 CA SER A 12 -16.186 1.519 -6.930 1.00 0.00 C ATOM 446 C SER A 12 -15.607 0.309 -6.239 1.00 0.00 C ATOM 447 O SER A 12 -16.212 -0.233 -5.320 1.00 0.00 O ATOM 448 CB SER A 12 -16.206 2.724 -5.971 1.00 0.00 C ATOM 449 OG SER A 12 -14.897 3.096 -5.539 1.00 0.00 O ATOM 0 H SER A 12 -18.096 0.840 -6.620 1.00 0.00 H new ATOM 0 HA SER A 12 -15.568 1.769 -7.793 1.00 0.00 H new ATOM 0 HB2 SER A 12 -16.677 3.572 -6.467 1.00 0.00 H new ATOM 0 HB3 SER A 12 -16.818 2.483 -5.102 1.00 0.00 H new ATOM 0 HG SER A 12 -14.608 2.498 -4.818 1.00 0.00 H new ATOM 455 N PRO A 13 -14.495 -0.192 -6.734 1.00 0.00 N ATOM 456 CA PRO A 13 -13.748 -1.217 -6.043 1.00 0.00 C ATOM 457 C PRO A 13 -13.291 -0.665 -4.692 1.00 0.00 C ATOM 458 O PRO A 13 -12.688 0.411 -4.622 1.00 0.00 O ATOM 459 CB PRO A 13 -12.541 -1.492 -6.934 1.00 0.00 C ATOM 460 CG PRO A 13 -12.777 -0.770 -8.220 1.00 0.00 C ATOM 461 CD PRO A 13 -13.908 0.189 -8.014 1.00 0.00 C ATOM 0 HA PRO A 13 -14.330 -2.121 -5.861 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -11.623 -1.145 -6.459 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -12.425 -2.562 -7.108 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -11.877 -0.237 -8.528 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -13.017 -1.476 -9.015 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -13.554 1.220 -7.995 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -14.638 0.118 -8.820 1.00 0.00 H new ATOM 469 N ALA A 14 -13.614 -1.359 -3.653 1.00 0.00 N ATOM 470 CA ALA A 14 -13.348 -0.914 -2.330 1.00 0.00 C ATOM 471 C ALA A 14 -12.619 -1.984 -1.549 1.00 0.00 C ATOM 472 O ALA A 14 -12.949 -3.182 -1.639 1.00 0.00 O ATOM 473 CB ALA A 14 -14.659 -0.575 -1.660 1.00 0.00 C ATOM 0 H ALA A 14 -14.078 -2.266 -3.702 1.00 0.00 H new ATOM 0 HA ALA A 14 -12.712 -0.029 -2.362 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -14.470 -0.232 -0.643 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -15.161 0.213 -2.221 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -15.293 -1.461 -1.632 1.00 0.00 H new ATOM 479 N VAL A 15 -11.621 -1.567 -0.808 1.00 0.00 N ATOM 480 CA VAL A 15 -10.860 -2.462 0.034 1.00 0.00 C ATOM 481 C VAL A 15 -11.241 -2.205 1.469 1.00 0.00 C ATOM 482 O VAL A 15 -11.285 -1.048 1.903 1.00 0.00 O ATOM 483 CB VAL A 15 -9.318 -2.298 -0.149 1.00 0.00 C ATOM 484 CG1 VAL A 15 -8.550 -3.269 0.752 1.00 0.00 C ATOM 485 CG2 VAL A 15 -8.928 -2.524 -1.596 1.00 0.00 C ATOM 0 H VAL A 15 -11.312 -0.596 -0.771 1.00 0.00 H new ATOM 0 HA VAL A 15 -11.098 -3.486 -0.255 1.00 0.00 H new ATOM 0 HB VAL A 15 -9.056 -1.279 0.137 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -7.479 -3.133 0.604 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -8.800 -3.073 1.795 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -8.824 -4.293 0.500 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.850 -2.406 -1.705 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.215 -3.532 -1.897 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -9.438 -1.797 -2.228 1.00 0.00 H new ATOM 495 N ARG A 16 -11.559 -3.262 2.179 1.00 0.00 N ATOM 496 CA ARG A 16 -11.960 -3.168 3.556 1.00 0.00 C ATOM 497 C ARG A 16 -10.771 -3.018 4.473 1.00 0.00 C ATOM 498 O ARG A 16 -9.888 -3.874 4.505 1.00 0.00 O ATOM 499 CB ARG A 16 -12.772 -4.384 3.960 1.00 0.00 C ATOM 500 CG ARG A 16 -14.110 -4.429 3.296 1.00 0.00 C ATOM 501 CD ARG A 16 -14.953 -5.566 3.792 1.00 0.00 C ATOM 502 NE ARG A 16 -15.289 -5.446 5.224 1.00 0.00 N ATOM 503 CZ ARG A 16 -15.903 -6.401 5.937 1.00 0.00 C ATOM 504 NH1 ARG A 16 -16.316 -7.512 5.337 1.00 0.00 N ATOM 505 NH2 ARG A 16 -16.127 -6.234 7.241 1.00 0.00 N ATOM 0 H ARG A 16 -11.546 -4.214 1.813 1.00 0.00 H new ATOM 0 HA ARG A 16 -12.578 -2.276 3.654 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -12.216 -5.287 3.709 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -12.907 -4.383 5.042 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -14.632 -3.489 3.472 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -13.976 -4.522 2.218 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -15.873 -5.611 3.210 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -14.424 -6.504 3.625 1.00 0.00 H new ATOM 0 HE ARG A 16 -15.038 -4.581 5.702 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -16.166 -7.637 4.336 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -16.783 -8.240 5.877 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -15.831 -5.375 7.703 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -16.595 -6.966 7.776 1.00 0.00 H new ATOM 519 N ILE A 17 -10.742 -1.936 5.194 1.00 0.00 N ATOM 520 CA ILE A 17 -9.705 -1.710 6.162 1.00 0.00 C ATOM 521 C ILE A 17 -10.270 -2.113 7.512 1.00 0.00 C ATOM 522 O ILE A 17 -11.378 -1.698 7.853 1.00 0.00 O ATOM 523 CB ILE A 17 -9.273 -0.204 6.240 1.00 0.00 C ATOM 524 CG1 ILE A 17 -8.887 0.374 4.868 1.00 0.00 C ATOM 525 CG2 ILE A 17 -8.134 -0.002 7.238 1.00 0.00 C ATOM 526 CD1 ILE A 17 -7.831 -0.393 4.102 1.00 0.00 C ATOM 0 H ILE A 17 -11.432 -1.188 5.130 1.00 0.00 H new ATOM 0 HA ILE A 17 -8.825 -2.287 5.877 1.00 0.00 H new ATOM 0 HB ILE A 17 -10.148 0.344 6.590 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -9.785 0.430 4.253 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -8.534 1.395 5.012 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -7.859 1.052 7.268 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -8.458 -0.321 8.229 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -7.272 -0.593 6.930 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -7.638 0.104 3.151 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -6.911 -0.428 4.686 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -8.182 -1.408 3.916 1.00 0.00 H new ATOM 538 N PRO A 18 -9.578 -2.970 8.274 1.00 0.00 N ATOM 539 CA PRO A 18 -10.029 -3.333 9.606 1.00 0.00 C ATOM 540 C PRO A 18 -10.069 -2.097 10.505 1.00 0.00 C ATOM 541 O PRO A 18 -9.110 -1.297 10.524 1.00 0.00 O ATOM 542 CB PRO A 18 -8.959 -4.311 10.115 1.00 0.00 C ATOM 543 CG PRO A 18 -8.239 -4.777 8.896 1.00 0.00 C ATOM 544 CD PRO A 18 -8.333 -3.663 7.895 1.00 0.00 C ATOM 0 HA PRO A 18 -11.030 -3.764 9.604 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -8.278 -3.821 10.811 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -9.412 -5.147 10.648 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -7.198 -5.007 9.124 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -8.689 -5.689 8.505 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -7.470 -2.999 7.950 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -8.379 -4.042 6.874 1.00 0.00 H new ATOM 552 N ALA A 19 -11.152 -1.944 11.254 1.00 0.00 N ATOM 553 CA ALA A 19 -11.326 -0.816 12.165 1.00 0.00 C ATOM 554 C ALA A 19 -10.217 -0.807 13.210 1.00 0.00 C ATOM 555 O ALA A 19 -9.842 0.237 13.734 1.00 0.00 O ATOM 556 CB ALA A 19 -12.694 -0.870 12.832 1.00 0.00 C ATOM 0 H ALA A 19 -11.936 -2.597 11.249 1.00 0.00 H new ATOM 0 HA ALA A 19 -11.267 0.108 11.589 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -12.804 -0.021 13.507 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -13.472 -0.831 12.070 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -12.787 -1.797 13.398 1.00 0.00 H new ATOM 562 N THR A 20 -9.690 -1.979 13.483 1.00 0.00 N ATOM 563 CA THR A 20 -8.577 -2.170 14.379 1.00 0.00 C ATOM 564 C THR A 20 -7.341 -1.381 13.870 1.00 0.00 C ATOM 565 O THR A 20 -6.685 -0.685 14.627 1.00 0.00 O ATOM 566 CB THR A 20 -8.257 -3.667 14.434 1.00 0.00 C ATOM 567 OG1 THR A 20 -9.491 -4.389 14.637 1.00 0.00 O ATOM 568 CG2 THR A 20 -7.304 -3.980 15.571 1.00 0.00 C ATOM 0 H THR A 20 -10.035 -2.848 13.076 1.00 0.00 H new ATOM 0 HA THR A 20 -8.831 -1.804 15.374 1.00 0.00 H new ATOM 0 HB THR A 20 -7.781 -3.963 13.499 1.00 0.00 H new ATOM 0 HG1 THR A 20 -9.305 -5.351 14.673 1.00 0.00 H new ATOM 0 HG21 THR A 20 -7.094 -5.050 15.586 1.00 0.00 H new ATOM 0 HG22 THR A 20 -6.374 -3.430 15.428 1.00 0.00 H new ATOM 0 HG23 THR A 20 -7.758 -3.686 16.517 1.00 0.00 H new ATOM 576 N LEU A 21 -7.092 -1.450 12.565 1.00 0.00 N ATOM 577 CA LEU A 21 -5.950 -0.767 11.940 1.00 0.00 C ATOM 578 C LEU A 21 -6.182 0.689 11.844 1.00 0.00 C ATOM 579 O LEU A 21 -5.260 1.479 11.953 1.00 0.00 O ATOM 580 CB LEU A 21 -5.651 -1.340 10.570 1.00 0.00 C ATOM 581 CG LEU A 21 -4.699 -2.519 10.531 1.00 0.00 C ATOM 582 CD1 LEU A 21 -3.277 -2.057 10.819 1.00 0.00 C ATOM 583 CD2 LEU A 21 -5.099 -3.577 11.535 1.00 0.00 C ATOM 0 H LEU A 21 -7.669 -1.976 11.909 1.00 0.00 H new ATOM 0 HA LEU A 21 -5.084 -0.935 12.580 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.593 -1.645 10.113 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.238 -0.545 9.949 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.746 -2.953 9.532 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.603 -2.913 10.788 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.972 -1.328 10.068 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.236 -1.599 11.807 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.398 -4.410 11.484 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.084 -3.151 12.538 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.104 -3.933 11.307 1.00 0.00 H new ATOM 595 N MET A 22 -7.411 1.031 11.619 1.00 0.00 N ATOM 596 CA MET A 22 -7.853 2.432 11.625 1.00 0.00 C ATOM 597 C MET A 22 -7.414 3.090 12.915 1.00 0.00 C ATOM 598 O MET A 22 -6.723 4.114 12.919 1.00 0.00 O ATOM 599 CB MET A 22 -9.371 2.509 11.501 1.00 0.00 C ATOM 600 CG MET A 22 -9.934 1.982 10.199 1.00 0.00 C ATOM 601 SD MET A 22 -9.601 3.048 8.806 1.00 0.00 S ATOM 602 CE MET A 22 -10.533 4.491 9.306 1.00 0.00 C ATOM 0 H MET A 22 -8.155 0.362 11.423 1.00 0.00 H new ATOM 0 HA MET A 22 -7.406 2.950 10.777 1.00 0.00 H new ATOM 0 HB2 MET A 22 -9.816 1.951 12.324 1.00 0.00 H new ATOM 0 HB3 MET A 22 -9.678 3.548 11.618 1.00 0.00 H new ATOM 0 HG2 MET A 22 -9.514 0.996 10.002 1.00 0.00 H new ATOM 0 HG3 MET A 22 -11.012 1.855 10.302 1.00 0.00 H new ATOM 0 HE1 MET A 22 -10.647 5.163 8.455 1.00 0.00 H new ATOM 0 HE2 MET A 22 -11.517 4.184 9.660 1.00 0.00 H new ATOM 0 HE3 MET A 22 -10.003 5.006 10.107 1.00 0.00 H new ATOM 612 N GLN A 23 -7.785 2.456 13.989 1.00 0.00 N ATOM 613 CA GLN A 23 -7.412 2.859 15.329 1.00 0.00 C ATOM 614 C GLN A 23 -5.908 2.818 15.524 1.00 0.00 C ATOM 615 O GLN A 23 -5.335 3.685 16.174 1.00 0.00 O ATOM 616 CB GLN A 23 -8.070 1.929 16.322 1.00 0.00 C ATOM 617 CG GLN A 23 -9.558 2.058 16.337 1.00 0.00 C ATOM 618 CD GLN A 23 -10.227 0.991 17.165 1.00 0.00 C ATOM 619 OE1 GLN A 23 -10.435 1.137 18.372 1.00 0.00 O ATOM 620 NE2 GLN A 23 -10.562 -0.085 16.525 1.00 0.00 N ATOM 0 H GLN A 23 -8.371 1.621 13.965 1.00 0.00 H new ATOM 0 HA GLN A 23 -7.745 3.885 15.485 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -7.801 0.900 16.083 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -7.682 2.136 17.319 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -9.829 3.039 16.728 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -9.933 2.007 15.315 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -10.371 -0.164 15.526 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -11.016 -0.852 17.020 1.00 0.00 H new ATOM 629 N ALA A 24 -5.274 1.843 14.910 1.00 0.00 N ATOM 630 CA ALA A 24 -3.832 1.625 15.103 1.00 0.00 C ATOM 631 C ALA A 24 -2.994 2.676 14.386 1.00 0.00 C ATOM 632 O ALA A 24 -1.883 2.994 14.798 1.00 0.00 O ATOM 633 CB ALA A 24 -3.430 0.231 14.645 1.00 0.00 C ATOM 0 H ALA A 24 -5.720 1.184 14.272 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.636 1.718 16.171 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.360 0.093 14.797 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.978 -0.514 15.222 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.664 0.114 13.587 1.00 0.00 H new ATOM 639 N LEU A 25 -3.523 3.205 13.325 1.00 0.00 N ATOM 640 CA LEU A 25 -2.823 4.179 12.526 1.00 0.00 C ATOM 641 C LEU A 25 -3.339 5.590 12.760 1.00 0.00 C ATOM 642 O LEU A 25 -2.901 6.542 12.109 1.00 0.00 O ATOM 643 CB LEU A 25 -2.899 3.767 11.082 1.00 0.00 C ATOM 644 CG LEU A 25 -2.097 2.517 10.764 1.00 0.00 C ATOM 645 CD1 LEU A 25 -2.606 1.889 9.514 1.00 0.00 C ATOM 646 CD2 LEU A 25 -0.640 2.891 10.583 1.00 0.00 C ATOM 0 H LEU A 25 -4.456 2.976 12.983 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.776 4.205 12.827 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.942 3.597 10.816 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.541 4.587 10.459 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.197 1.807 11.585 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.025 0.993 9.294 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.654 1.619 9.643 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.512 2.594 8.688 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.060 1.997 10.355 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.546 3.603 9.763 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.264 3.343 11.501 1.00 0.00 H new ATOM 658 N ASN A 26 -4.256 5.707 13.718 1.00 0.00 N ATOM 659 CA ASN A 26 -4.810 6.993 14.189 1.00 0.00 C ATOM 660 C ASN A 26 -5.690 7.696 13.157 1.00 0.00 C ATOM 661 O ASN A 26 -5.906 8.913 13.251 1.00 0.00 O ATOM 662 CB ASN A 26 -3.692 7.957 14.679 1.00 0.00 C ATOM 663 CG ASN A 26 -2.925 7.449 15.893 1.00 0.00 C ATOM 664 OD1 ASN A 26 -3.317 7.688 17.033 1.00 0.00 O ATOM 665 ND2 ASN A 26 -1.812 6.789 15.670 1.00 0.00 N ATOM 0 H ASN A 26 -4.648 4.900 14.204 1.00 0.00 H new ATOM 0 HA ASN A 26 -5.452 6.733 15.031 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -2.989 8.127 13.863 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -4.138 8.921 14.921 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -1.248 6.460 16.454 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -1.511 6.605 14.713 1.00 0.00 H new ATOM 672 N LEU A 27 -6.244 6.959 12.216 1.00 0.00 N ATOM 673 CA LEU A 27 -7.080 7.556 11.236 1.00 0.00 C ATOM 674 C LEU A 27 -8.539 7.228 11.511 1.00 0.00 C ATOM 675 O LEU A 27 -8.868 6.203 12.150 1.00 0.00 O ATOM 676 CB LEU A 27 -6.721 7.127 9.821 1.00 0.00 C ATOM 677 CG LEU A 27 -7.026 5.691 9.416 1.00 0.00 C ATOM 678 CD1 LEU A 27 -7.423 5.671 7.967 1.00 0.00 C ATOM 679 CD2 LEU A 27 -5.822 4.801 9.611 1.00 0.00 C ATOM 0 H LEU A 27 -6.122 5.951 12.122 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.922 8.632 11.305 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -7.242 7.788 9.128 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.653 7.295 9.681 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.835 5.316 10.044 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.644 4.647 7.664 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -8.308 6.291 7.824 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.605 6.060 7.360 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.071 3.782 9.313 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.997 5.166 9.000 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.528 4.811 10.661 1.00 0.00 H new ATOM 691 N ASN A 28 -9.399 8.084 11.053 1.00 0.00 N ATOM 692 CA ASN A 28 -10.824 7.910 11.193 1.00 0.00 C ATOM 693 C ASN A 28 -11.436 7.958 9.812 1.00 0.00 C ATOM 694 O ASN A 28 -10.709 8.002 8.808 1.00 0.00 O ATOM 695 CB ASN A 28 -11.459 9.004 12.089 1.00 0.00 C ATOM 696 CG ASN A 28 -10.955 9.039 13.540 1.00 0.00 C ATOM 697 OD1 ASN A 28 -10.959 10.092 14.175 1.00 0.00 O ATOM 698 ND2 ASN A 28 -10.523 7.920 14.071 1.00 0.00 N ATOM 0 H ASN A 28 -9.134 8.938 10.563 1.00 0.00 H new ATOM 0 HA ASN A 28 -11.017 6.952 11.676 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -11.273 9.977 11.634 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -12.539 8.859 12.100 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -10.180 7.910 15.032 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -10.530 7.060 13.523 1.00 0.00 H new ATOM 705 N ILE A 29 -12.738 7.946 9.733 1.00 0.00 N ATOM 706 CA ILE A 29 -13.396 7.991 8.456 1.00 0.00 C ATOM 707 C ILE A 29 -13.339 9.409 7.880 1.00 0.00 C ATOM 708 O ILE A 29 -13.481 10.398 8.610 1.00 0.00 O ATOM 709 CB ILE A 29 -14.870 7.472 8.538 1.00 0.00 C ATOM 710 CG1 ILE A 29 -14.907 5.983 8.952 1.00 0.00 C ATOM 711 CG2 ILE A 29 -15.612 7.673 7.219 1.00 0.00 C ATOM 712 CD1 ILE A 29 -14.238 5.035 7.975 1.00 0.00 C ATOM 0 H ILE A 29 -13.364 7.905 10.537 1.00 0.00 H new ATOM 0 HA ILE A 29 -12.863 7.320 7.782 1.00 0.00 H new ATOM 0 HB ILE A 29 -15.379 8.061 9.302 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -14.426 5.879 9.925 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -15.947 5.681 9.076 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -16.632 7.301 7.315 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -15.635 8.735 6.973 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -15.100 7.128 6.427 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -14.314 4.014 8.349 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -14.731 5.104 7.005 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -13.187 5.305 7.867 1.00 0.00 H new ATOM 724 N ASP A 30 -13.094 9.464 6.582 1.00 0.00 N ATOM 725 CA ASP A 30 -12.996 10.667 5.761 1.00 0.00 C ATOM 726 C ASP A 30 -11.619 11.306 5.882 1.00 0.00 C ATOM 727 O ASP A 30 -11.404 12.447 5.495 1.00 0.00 O ATOM 728 CB ASP A 30 -14.154 11.664 6.012 1.00 0.00 C ATOM 729 CG ASP A 30 -14.205 12.777 4.989 1.00 0.00 C ATOM 730 OD1 ASP A 30 -14.326 12.477 3.798 1.00 0.00 O ATOM 731 OD2 ASP A 30 -14.124 13.968 5.362 1.00 0.00 O ATOM 0 H ASP A 30 -12.948 8.616 6.034 1.00 0.00 H new ATOM 0 HA ASP A 30 -13.111 10.358 4.722 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -15.101 11.124 6.001 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -14.045 12.096 7.007 1.00 0.00 H new ATOM 736 N ASP A 31 -10.656 10.537 6.357 1.00 0.00 N ATOM 737 CA ASP A 31 -9.312 11.040 6.450 1.00 0.00 C ATOM 738 C ASP A 31 -8.670 10.812 5.114 1.00 0.00 C ATOM 739 O ASP A 31 -8.825 9.724 4.514 1.00 0.00 O ATOM 740 CB ASP A 31 -8.495 10.359 7.560 1.00 0.00 C ATOM 741 CG ASP A 31 -7.229 11.149 7.920 1.00 0.00 C ATOM 742 OD1 ASP A 31 -6.177 10.956 7.325 1.00 0.00 O ATOM 743 OD2 ASP A 31 -7.288 12.012 8.838 1.00 0.00 O ATOM 0 H ASP A 31 -10.783 9.577 6.678 1.00 0.00 H new ATOM 0 HA ASP A 31 -9.340 12.098 6.711 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -9.116 10.248 8.449 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -8.215 9.356 7.239 1.00 0.00 H new ATOM 748 N GLU A 32 -8.046 11.830 4.620 1.00 0.00 N ATOM 749 CA GLU A 32 -7.421 11.824 3.341 1.00 0.00 C ATOM 750 C GLU A 32 -6.191 10.929 3.347 1.00 0.00 C ATOM 751 O GLU A 32 -5.421 10.929 4.307 1.00 0.00 O ATOM 752 CB GLU A 32 -7.114 13.266 2.918 1.00 0.00 C ATOM 753 CG GLU A 32 -6.323 13.395 1.641 1.00 0.00 C ATOM 754 CD GLU A 32 -6.212 14.814 1.164 1.00 0.00 C ATOM 755 OE1 GLU A 32 -5.352 15.565 1.662 1.00 0.00 O ATOM 756 OE2 GLU A 32 -6.997 15.211 0.269 1.00 0.00 O ATOM 0 H GLU A 32 -7.955 12.718 5.113 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.097 11.402 2.598 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -8.055 13.804 2.802 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -6.563 13.756 3.721 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.323 12.990 1.796 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.794 12.792 0.865 1.00 0.00 H new ATOM 763 N VAL A 33 -6.040 10.138 2.298 1.00 0.00 N ATOM 764 CA VAL A 33 -4.948 9.209 2.196 1.00 0.00 C ATOM 765 C VAL A 33 -4.304 9.294 0.852 1.00 0.00 C ATOM 766 O VAL A 33 -4.947 9.640 -0.156 1.00 0.00 O ATOM 767 CB VAL A 33 -5.361 7.717 2.486 1.00 0.00 C ATOM 768 CG1 VAL A 33 -6.250 7.638 3.664 1.00 0.00 C ATOM 769 CG2 VAL A 33 -6.031 7.043 1.311 1.00 0.00 C ATOM 0 H VAL A 33 -6.674 10.128 1.499 1.00 0.00 H new ATOM 0 HA VAL A 33 -4.239 9.502 2.971 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.430 7.184 2.682 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.522 6.598 3.845 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.733 8.035 4.537 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.151 8.222 3.479 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.289 6.018 1.578 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -6.937 7.589 1.047 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.351 7.035 0.459 1.00 0.00 H new ATOM 779 N LYS A 34 -3.052 9.011 0.843 1.00 0.00 N ATOM 780 CA LYS A 34 -2.298 8.956 -0.373 1.00 0.00 C ATOM 781 C LYS A 34 -2.246 7.529 -0.841 1.00 0.00 C ATOM 782 O LYS A 34 -1.902 6.634 -0.067 1.00 0.00 O ATOM 783 CB LYS A 34 -0.867 9.457 -0.176 1.00 0.00 C ATOM 784 CG LYS A 34 -0.753 10.881 0.327 1.00 0.00 C ATOM 785 CD LYS A 34 0.701 11.325 0.545 1.00 0.00 C ATOM 786 CE LYS A 34 1.484 10.388 1.455 1.00 0.00 C ATOM 787 NZ LYS A 34 2.211 9.322 0.715 1.00 0.00 N ATOM 0 H LYS A 34 -2.510 8.808 1.683 1.00 0.00 H new ATOM 0 HA LYS A 34 -2.786 9.598 -1.106 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -0.360 8.797 0.528 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.336 9.379 -1.125 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -1.229 11.552 -0.388 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -1.300 10.974 1.265 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.204 11.388 -0.420 1.00 0.00 H new ATOM 0 HD3 LYS A 34 0.708 12.327 0.974 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.199 10.970 2.036 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.799 9.925 2.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.345 8.498 1.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.658 9.040 -0.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 3.139 9.681 0.411 1.00 0.00 H new ATOM 801 N ILE A 35 -2.661 7.315 -2.051 1.00 0.00 N ATOM 802 CA ILE A 35 -2.531 6.040 -2.689 1.00 0.00 C ATOM 803 C ILE A 35 -1.365 6.171 -3.631 1.00 0.00 C ATOM 804 O ILE A 35 -1.467 6.849 -4.673 1.00 0.00 O ATOM 805 CB ILE A 35 -3.796 5.572 -3.512 1.00 0.00 C ATOM 806 CG1 ILE A 35 -5.042 5.378 -2.634 1.00 0.00 C ATOM 807 CG2 ILE A 35 -3.506 4.279 -4.259 1.00 0.00 C ATOM 808 CD1 ILE A 35 -5.707 6.644 -2.180 1.00 0.00 C ATOM 0 H ILE A 35 -3.104 8.028 -2.630 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.402 5.286 -1.913 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.008 6.373 -4.220 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -5.768 4.784 -3.188 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.761 4.799 -1.755 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.391 3.976 -4.819 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.677 4.435 -4.949 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.242 3.498 -3.546 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.575 6.400 -1.567 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.003 7.234 -1.593 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -6.027 7.219 -3.049 1.00 0.00 H new ATOM 820 N ASP A 36 -0.264 5.609 -3.264 1.00 0.00 N ATOM 821 CA ASP A 36 0.910 5.690 -4.076 1.00 0.00 C ATOM 822 C ASP A 36 1.223 4.314 -4.591 1.00 0.00 C ATOM 823 O ASP A 36 1.151 3.340 -3.852 1.00 0.00 O ATOM 824 CB ASP A 36 2.107 6.293 -3.300 1.00 0.00 C ATOM 825 CG ASP A 36 1.868 7.730 -2.829 1.00 0.00 C ATOM 826 OD1 ASP A 36 1.815 8.647 -3.686 1.00 0.00 O ATOM 827 OD2 ASP A 36 1.771 7.958 -1.584 1.00 0.00 O ATOM 0 H ASP A 36 -0.148 5.082 -2.398 1.00 0.00 H new ATOM 0 HA ASP A 36 0.725 6.363 -4.914 1.00 0.00 H new ATOM 0 HB2 ASP A 36 2.321 5.666 -2.434 1.00 0.00 H new ATOM 0 HB3 ASP A 36 2.991 6.270 -3.937 1.00 0.00 H new ATOM 832 N LEU A 37 1.495 4.207 -5.859 1.00 0.00 N ATOM 833 CA LEU A 37 1.772 2.986 -6.451 1.00 0.00 C ATOM 834 C LEU A 37 3.259 2.764 -6.337 1.00 0.00 C ATOM 835 O LEU A 37 4.064 3.623 -6.713 1.00 0.00 O ATOM 836 CB LEU A 37 1.316 3.047 -7.914 1.00 0.00 C ATOM 837 CG LEU A 37 1.139 1.733 -8.677 1.00 0.00 C ATOM 838 CD1 LEU A 37 2.428 0.993 -8.822 1.00 0.00 C ATOM 839 CD2 LEU A 37 0.084 0.877 -8.031 1.00 0.00 C ATOM 0 H LEU A 37 1.524 4.999 -6.501 1.00 0.00 H new ATOM 0 HA LEU A 37 1.250 2.159 -5.969 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.365 3.578 -7.943 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.037 3.654 -8.461 1.00 0.00 H new ATOM 0 HG LEU A 37 0.803 1.982 -9.684 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.256 0.066 -9.370 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.142 1.610 -9.368 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.828 0.762 -7.835 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.024 -0.052 -8.591 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.377 0.651 -7.006 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.866 1.411 -8.027 1.00 0.00 H new ATOM 851 N VAL A 38 3.596 1.641 -5.819 1.00 0.00 N ATOM 852 CA VAL A 38 4.984 1.256 -5.577 1.00 0.00 C ATOM 853 C VAL A 38 5.141 -0.237 -5.845 1.00 0.00 C ATOM 854 O VAL A 38 4.439 -1.046 -5.245 1.00 0.00 O ATOM 855 CB VAL A 38 5.452 1.549 -4.098 1.00 0.00 C ATOM 856 CG1 VAL A 38 6.909 1.148 -3.894 1.00 0.00 C ATOM 857 CG2 VAL A 38 5.263 3.019 -3.712 1.00 0.00 C ATOM 0 H VAL A 38 2.919 0.932 -5.537 1.00 0.00 H new ATOM 0 HA VAL A 38 5.604 1.852 -6.247 1.00 0.00 H new ATOM 0 HB VAL A 38 4.819 0.945 -3.447 1.00 0.00 H new ATOM 0 HG11 VAL A 38 7.205 1.361 -2.867 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.024 0.082 -4.091 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.541 1.714 -4.578 1.00 0.00 H new ATOM 0 HG21 VAL A 38 5.599 3.172 -2.686 1.00 0.00 H new ATOM 0 HG22 VAL A 38 5.847 3.649 -4.383 1.00 0.00 H new ATOM 0 HG23 VAL A 38 4.209 3.283 -3.792 1.00 0.00 H new ATOM 867 N ASP A 39 5.988 -0.576 -6.818 1.00 0.00 N ATOM 868 CA ASP A 39 6.359 -1.981 -7.159 1.00 0.00 C ATOM 869 C ASP A 39 5.183 -2.853 -7.559 1.00 0.00 C ATOM 870 O ASP A 39 5.270 -4.082 -7.526 1.00 0.00 O ATOM 871 CB ASP A 39 7.165 -2.671 -6.047 1.00 0.00 C ATOM 872 CG ASP A 39 8.615 -2.268 -6.010 1.00 0.00 C ATOM 873 OD1 ASP A 39 9.426 -2.830 -6.789 1.00 0.00 O ATOM 874 OD2 ASP A 39 8.994 -1.417 -5.186 1.00 0.00 O ATOM 0 H ASP A 39 6.450 0.115 -7.409 1.00 0.00 H new ATOM 0 HA ASP A 39 6.996 -1.876 -8.037 1.00 0.00 H new ATOM 0 HB2 ASP A 39 6.709 -2.441 -5.084 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.101 -3.751 -6.181 1.00 0.00 H new ATOM 879 N GLY A 40 4.121 -2.242 -7.993 1.00 0.00 N ATOM 880 CA GLY A 40 2.968 -3.000 -8.417 1.00 0.00 C ATOM 881 C GLY A 40 1.923 -3.155 -7.331 1.00 0.00 C ATOM 882 O GLY A 40 1.000 -3.957 -7.469 1.00 0.00 O ATOM 0 H GLY A 40 4.023 -1.229 -8.065 1.00 0.00 H new ATOM 0 HA2 GLY A 40 2.516 -2.510 -9.280 1.00 0.00 H new ATOM 0 HA3 GLY A 40 3.291 -3.988 -8.745 1.00 0.00 H new ATOM 886 N LYS A 41 2.065 -2.428 -6.251 1.00 0.00 N ATOM 887 CA LYS A 41 1.063 -2.439 -5.214 1.00 0.00 C ATOM 888 C LYS A 41 0.604 -1.068 -4.843 1.00 0.00 C ATOM 889 O LYS A 41 1.286 -0.067 -5.122 1.00 0.00 O ATOM 890 CB LYS A 41 1.418 -3.273 -3.965 1.00 0.00 C ATOM 891 CG LYS A 41 2.837 -3.200 -3.432 1.00 0.00 C ATOM 892 CD LYS A 41 3.719 -4.170 -4.179 1.00 0.00 C ATOM 893 CE LYS A 41 5.019 -4.416 -3.466 1.00 0.00 C ATOM 894 NZ LYS A 41 5.688 -5.599 -4.020 1.00 0.00 N ATOM 0 H LYS A 41 2.864 -1.821 -6.067 1.00 0.00 H new ATOM 0 HA LYS A 41 0.225 -2.963 -5.674 1.00 0.00 H new ATOM 0 HB2 LYS A 41 0.745 -2.972 -3.162 1.00 0.00 H new ATOM 0 HB3 LYS A 41 1.200 -4.317 -4.189 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.223 -2.187 -3.540 1.00 0.00 H new ATOM 0 HG3 LYS A 41 2.847 -3.433 -2.367 1.00 0.00 H new ATOM 0 HD2 LYS A 41 3.191 -5.115 -4.306 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.921 -3.781 -5.177 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.666 -3.544 -3.564 1.00 0.00 H new ATOM 0 HE3 LYS A 41 4.836 -4.559 -2.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.560 -5.787 -3.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 5.054 -6.421 -3.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 5.925 -5.428 -5.018 1.00 0.00 H new ATOM 908 N LEU A 42 -0.550 -1.025 -4.227 1.00 0.00 N ATOM 909 CA LEU A 42 -1.186 0.191 -3.833 1.00 0.00 C ATOM 910 C LEU A 42 -0.877 0.470 -2.400 1.00 0.00 C ATOM 911 O LEU A 42 -1.237 -0.287 -1.497 1.00 0.00 O ATOM 912 CB LEU A 42 -2.688 0.091 -4.062 1.00 0.00 C ATOM 913 CG LEU A 42 -3.100 -0.106 -5.515 1.00 0.00 C ATOM 914 CD1 LEU A 42 -4.414 -0.859 -5.592 1.00 0.00 C ATOM 915 CD2 LEU A 42 -3.251 1.234 -6.241 1.00 0.00 C ATOM 0 H LEU A 42 -1.081 -1.861 -3.983 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.809 1.017 -4.436 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.077 -0.740 -3.473 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.160 0.998 -3.685 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.313 -0.682 -6.002 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.696 -0.993 -6.636 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.303 -1.834 -5.119 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.189 -0.292 -5.076 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.546 1.056 -7.275 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.014 1.833 -5.744 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.301 1.768 -6.221 1.00 0.00 H new ATOM 927 N ILE A 43 -0.168 1.501 -2.214 1.00 0.00 N ATOM 928 CA ILE A 43 0.231 1.949 -0.914 1.00 0.00 C ATOM 929 C ILE A 43 -0.742 2.992 -0.447 1.00 0.00 C ATOM 930 O ILE A 43 -0.907 4.029 -1.065 1.00 0.00 O ATOM 931 CB ILE A 43 1.694 2.504 -0.929 1.00 0.00 C ATOM 932 CG1 ILE A 43 2.762 1.407 -0.907 1.00 0.00 C ATOM 933 CG2 ILE A 43 1.958 3.487 0.188 1.00 0.00 C ATOM 934 CD1 ILE A 43 2.631 0.338 -1.957 1.00 0.00 C ATOM 0 H ILE A 43 0.172 2.090 -2.974 1.00 0.00 H new ATOM 0 HA ILE A 43 0.222 1.107 -0.221 1.00 0.00 H new ATOM 0 HB ILE A 43 1.772 3.029 -1.881 1.00 0.00 H new ATOM 0 HG12 ILE A 43 3.739 1.877 -1.015 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.744 0.930 0.073 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.988 3.838 0.128 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.279 4.335 0.095 1.00 0.00 H new ATOM 0 HG23 ILE A 43 1.797 2.998 1.149 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.440 -0.383 -1.845 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.674 -0.170 -1.842 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.684 0.792 -2.947 1.00 0.00 H new ATOM 946 N ILE A 44 -1.407 2.665 0.586 1.00 0.00 N ATOM 947 CA ILE A 44 -2.394 3.533 1.214 1.00 0.00 C ATOM 948 C ILE A 44 -1.810 4.109 2.501 1.00 0.00 C ATOM 949 O ILE A 44 -1.661 3.402 3.516 1.00 0.00 O ATOM 950 CB ILE A 44 -3.781 2.799 1.500 1.00 0.00 C ATOM 951 CG1 ILE A 44 -4.629 2.590 0.215 1.00 0.00 C ATOM 952 CG2 ILE A 44 -4.623 3.552 2.536 1.00 0.00 C ATOM 953 CD1 ILE A 44 -4.032 1.704 -0.857 1.00 0.00 C ATOM 0 H ILE A 44 -1.299 1.766 1.055 1.00 0.00 H new ATOM 0 HA ILE A 44 -2.620 4.337 0.513 1.00 0.00 H new ATOM 0 HB ILE A 44 -3.511 1.820 1.896 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -5.591 2.169 0.507 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -4.828 3.568 -0.224 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -5.559 3.018 2.701 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.072 3.618 3.474 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.838 4.556 2.170 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -4.720 1.639 -1.700 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -3.085 2.127 -1.193 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -3.860 0.707 -0.451 1.00 0.00 H new ATOM 965 N GLU A 45 -1.442 5.362 2.451 1.00 0.00 N ATOM 966 CA GLU A 45 -0.865 6.024 3.595 1.00 0.00 C ATOM 967 C GLU A 45 -1.723 7.220 4.021 1.00 0.00 C ATOM 968 O GLU A 45 -1.957 8.145 3.226 1.00 0.00 O ATOM 969 CB GLU A 45 0.567 6.487 3.282 1.00 0.00 C ATOM 970 CG GLU A 45 1.270 7.255 4.391 1.00 0.00 C ATOM 971 CD GLU A 45 2.704 7.557 4.032 1.00 0.00 C ATOM 972 OE1 GLU A 45 2.952 8.020 2.907 1.00 0.00 O ATOM 973 OE2 GLU A 45 3.607 7.285 4.847 1.00 0.00 O ATOM 0 H GLU A 45 -1.532 5.951 1.623 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.832 5.311 4.419 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.167 5.611 3.036 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.540 7.115 2.392 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.738 8.187 4.583 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.239 6.674 5.313 1.00 0.00 H new ATOM 980 N PRO A 46 -2.250 7.174 5.254 1.00 0.00 N ATOM 981 CA PRO A 46 -2.967 8.258 5.865 1.00 0.00 C ATOM 982 C PRO A 46 -2.132 9.491 5.892 1.00 0.00 C ATOM 983 O PRO A 46 -0.893 9.445 6.007 1.00 0.00 O ATOM 984 CB PRO A 46 -3.235 7.801 7.296 1.00 0.00 C ATOM 985 CG PRO A 46 -2.485 6.578 7.455 1.00 0.00 C ATOM 986 CD PRO A 46 -2.224 6.032 6.091 1.00 0.00 C ATOM 0 HA PRO A 46 -3.880 8.492 5.317 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -2.915 8.555 8.015 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -4.299 7.634 7.462 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -1.548 6.768 7.978 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -3.045 5.860 8.055 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -1.261 5.523 6.042 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -2.983 5.306 5.800 1.00 0.00 H new ATOM 994 N VAL A 47 -2.769 10.558 5.808 1.00 0.00 N ATOM 995 CA VAL A 47 -2.088 11.815 5.749 1.00 0.00 C ATOM 996 C VAL A 47 -2.193 12.469 7.090 1.00 0.00 C ATOM 997 O VAL A 47 -3.284 12.824 7.531 1.00 0.00 O ATOM 998 CB VAL A 47 -2.641 12.760 4.651 1.00 0.00 C ATOM 999 CG1 VAL A 47 -1.767 13.960 4.493 1.00 0.00 C ATOM 1000 CG2 VAL A 47 -2.744 12.059 3.330 1.00 0.00 C ATOM 0 H VAL A 47 -3.787 10.620 5.776 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.048 11.621 5.484 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.636 13.071 4.969 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -2.175 14.608 3.717 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.724 14.505 5.436 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.763 13.644 4.210 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.135 12.749 2.582 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.757 11.713 3.024 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -3.415 11.205 3.422 1.00 0.00 H new ATOM 1351 N ILE B 2 -2.050 9.896 -5.554 1.00 0.00 N ATOM 1352 CA ILE B 2 -3.490 10.063 -5.578 1.00 0.00 C ATOM 1353 C ILE B 2 -3.937 10.297 -4.153 1.00 0.00 C ATOM 1354 O ILE B 2 -3.552 9.549 -3.271 1.00 0.00 O ATOM 1355 CB ILE B 2 -4.207 8.786 -6.148 1.00 0.00 C ATOM 1356 CG1 ILE B 2 -3.772 8.508 -7.601 1.00 0.00 C ATOM 1357 CG2 ILE B 2 -5.733 8.920 -6.062 1.00 0.00 C ATOM 1358 CD1 ILE B 2 -4.323 7.217 -8.185 1.00 0.00 C ATOM 0 HA ILE B 2 -3.751 10.901 -6.224 1.00 0.00 H new ATOM 0 HB ILE B 2 -3.905 7.939 -5.532 1.00 0.00 H new ATOM 0 HG12 ILE B 2 -4.090 9.341 -8.228 1.00 0.00 H new ATOM 0 HG13 ILE B 2 -2.683 8.475 -7.642 1.00 0.00 H new ATOM 0 HG21 ILE B 2 -6.200 8.021 -6.464 1.00 0.00 H new ATOM 0 HG22 ILE B 2 -6.029 9.048 -5.021 1.00 0.00 H new ATOM 0 HG23 ILE B 2 -6.055 9.786 -6.640 1.00 0.00 H new ATOM 0 HD11 ILE B 2 -3.968 7.100 -9.209 1.00 0.00 H new ATOM 0 HD12 ILE B 2 -3.984 6.372 -7.585 1.00 0.00 H new ATOM 0 HD13 ILE B 2 -5.412 7.252 -8.181 1.00 0.00 H new ATOM 1370 N HIS B 3 -4.703 11.327 -3.912 1.00 0.00 N ATOM 1371 CA HIS B 3 -5.164 11.590 -2.568 1.00 0.00 C ATOM 1372 C HIS B 3 -6.676 11.489 -2.460 1.00 0.00 C ATOM 1373 O HIS B 3 -7.426 12.331 -2.958 1.00 0.00 O ATOM 1374 CB HIS B 3 -4.575 12.891 -1.930 1.00 0.00 C ATOM 1375 CG HIS B 3 -4.849 14.193 -2.643 1.00 0.00 C ATOM 1376 ND1 HIS B 3 -5.739 15.150 -2.190 1.00 0.00 N ATOM 1377 CD2 HIS B 3 -4.286 14.713 -3.762 1.00 0.00 C ATOM 1378 CE1 HIS B 3 -5.693 16.186 -3.027 1.00 0.00 C ATOM 1379 NE2 HIS B 3 -4.821 15.974 -4.000 1.00 0.00 N ATOM 0 H HIS B 3 -5.020 11.993 -4.617 1.00 0.00 H new ATOM 0 HA HIS B 3 -4.754 10.791 -1.950 1.00 0.00 H new ATOM 0 HB2 HIS B 3 -4.961 12.974 -0.914 1.00 0.00 H new ATOM 0 HB3 HIS B 3 -3.495 12.770 -1.851 1.00 0.00 H new ATOM 0 HD1 HIS B 3 -6.328 15.076 -1.360 1.00 0.00 H new ATOM 0 HD2 HIS B 3 -3.540 14.225 -4.372 1.00 0.00 H new ATOM 0 HE1 HIS B 3 -6.289 17.081 -2.925 1.00 0.00 H new ATOM 1387 N SER B 4 -7.095 10.434 -1.839 1.00 0.00 N ATOM 1388 CA SER B 4 -8.485 10.100 -1.622 1.00 0.00 C ATOM 1389 C SER B 4 -8.765 10.114 -0.130 1.00 0.00 C ATOM 1390 O SER B 4 -8.023 10.715 0.607 1.00 0.00 O ATOM 1391 CB SER B 4 -8.747 8.719 -2.184 1.00 0.00 C ATOM 1392 OG SER B 4 -8.696 8.729 -3.600 1.00 0.00 O ATOM 0 H SER B 4 -6.455 9.743 -1.447 1.00 0.00 H new ATOM 0 HA SER B 4 -9.134 10.822 -2.118 1.00 0.00 H new ATOM 0 HB2 SER B 4 -8.009 8.018 -1.795 1.00 0.00 H new ATOM 0 HB3 SER B 4 -9.725 8.368 -1.854 1.00 0.00 H new ATOM 0 HG SER B 4 -8.867 7.826 -3.940 1.00 0.00 H new ATOM 1398 N SER B 5 -9.811 9.460 0.304 1.00 0.00 N ATOM 1399 CA SER B 5 -10.154 9.419 1.687 1.00 0.00 C ATOM 1400 C SER B 5 -10.833 8.100 2.011 1.00 0.00 C ATOM 1401 O SER B 5 -11.469 7.491 1.138 1.00 0.00 O ATOM 1402 CB SER B 5 -11.034 10.630 2.040 1.00 0.00 C ATOM 1403 OG SER B 5 -12.071 10.813 1.078 1.00 0.00 O ATOM 0 H SER B 5 -10.447 8.941 -0.301 1.00 0.00 H new ATOM 0 HA SER B 5 -9.253 9.480 2.297 1.00 0.00 H new ATOM 0 HB2 SER B 5 -11.472 10.489 3.028 1.00 0.00 H new ATOM 0 HB3 SER B 5 -10.418 11.528 2.090 1.00 0.00 H new ATOM 0 HG SER B 5 -12.616 11.588 1.328 1.00 0.00 H new ATOM 1409 N VAL B 6 -10.647 7.631 3.222 1.00 0.00 N ATOM 1410 CA VAL B 6 -11.264 6.394 3.671 1.00 0.00 C ATOM 1411 C VAL B 6 -12.694 6.673 3.998 1.00 0.00 C ATOM 1412 O VAL B 6 -12.973 7.476 4.870 1.00 0.00 O ATOM 1413 CB VAL B 6 -10.576 5.858 4.940 1.00 0.00 C ATOM 1414 CG1 VAL B 6 -11.165 4.525 5.379 1.00 0.00 C ATOM 1415 CG2 VAL B 6 -9.109 5.738 4.706 1.00 0.00 C ATOM 0 H VAL B 6 -10.067 8.090 3.925 1.00 0.00 H new ATOM 0 HA VAL B 6 -11.171 5.650 2.880 1.00 0.00 H new ATOM 0 HB VAL B 6 -10.752 6.568 5.748 1.00 0.00 H new ATOM 0 HG11 VAL B 6 -10.654 4.179 6.277 1.00 0.00 H new ATOM 0 HG12 VAL B 6 -12.227 4.649 5.591 1.00 0.00 H new ATOM 0 HG13 VAL B 6 -11.037 3.791 4.583 1.00 0.00 H new ATOM 0 HG21 VAL B 6 -8.627 5.358 5.607 1.00 0.00 H new ATOM 0 HG22 VAL B 6 -8.927 5.050 3.880 1.00 0.00 H new ATOM 0 HG23 VAL B 6 -8.699 6.717 4.460 1.00 0.00 H new ATOM 1425 N LYS B 7 -13.590 6.044 3.327 1.00 0.00 N ATOM 1426 CA LYS B 7 -14.966 6.296 3.586 1.00 0.00 C ATOM 1427 C LYS B 7 -15.536 5.095 4.313 1.00 0.00 C ATOM 1428 O LYS B 7 -14.849 4.086 4.467 1.00 0.00 O ATOM 1429 CB LYS B 7 -15.700 6.549 2.290 1.00 0.00 C ATOM 1430 CG LYS B 7 -15.206 7.730 1.465 1.00 0.00 C ATOM 1431 CD LYS B 7 -15.508 9.062 2.125 1.00 0.00 C ATOM 1432 CE LYS B 7 -15.163 10.203 1.182 1.00 0.00 C ATOM 1433 NZ LYS B 7 -15.537 11.525 1.711 1.00 0.00 N ATOM 0 H LYS B 7 -13.401 5.355 2.599 1.00 0.00 H new ATOM 0 HA LYS B 7 -15.082 7.185 4.206 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -15.635 5.650 1.677 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -16.755 6.705 2.517 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -14.131 7.639 1.312 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -15.671 7.702 0.480 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -16.562 9.111 2.397 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -14.936 9.157 3.048 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -14.092 10.189 0.981 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -15.668 10.044 0.229 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -15.616 12.203 0.927 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -16.451 11.456 2.202 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -14.809 11.851 2.378 1.00 0.00 H new ATOM 1447 N ARG B 8 -16.747 5.182 4.767 1.00 0.00 N ATOM 1448 CA ARG B 8 -17.326 4.085 5.488 1.00 0.00 C ATOM 1449 C ARG B 8 -18.387 3.373 4.660 1.00 0.00 C ATOM 1450 O ARG B 8 -19.388 3.962 4.261 1.00 0.00 O ATOM 1451 CB ARG B 8 -17.890 4.534 6.831 1.00 0.00 C ATOM 1452 CG ARG B 8 -18.531 3.410 7.617 1.00 0.00 C ATOM 1453 CD ARG B 8 -18.981 3.867 8.982 1.00 0.00 C ATOM 1454 NE ARG B 8 -17.854 4.079 9.906 1.00 0.00 N ATOM 1455 CZ ARG B 8 -17.843 4.954 10.928 1.00 0.00 C ATOM 1456 NH1 ARG B 8 -18.842 5.819 11.089 1.00 0.00 N ATOM 1457 NH2 ARG B 8 -16.819 4.976 11.767 1.00 0.00 N ATOM 0 H ARG B 8 -17.353 5.994 4.654 1.00 0.00 H new ATOM 0 HA ARG B 8 -16.526 3.372 5.687 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -17.089 4.973 7.425 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -18.628 5.318 6.663 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -19.386 3.021 7.064 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -17.821 2.590 7.724 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -19.545 4.794 8.883 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -19.659 3.125 9.405 1.00 0.00 H new ATOM 0 HE ARG B 8 -17.015 3.518 9.760 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -19.624 5.822 10.435 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -18.825 6.479 11.867 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -16.040 4.330 11.638 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -16.809 5.639 12.542 1.00 0.00 H new ATOM 1471 N TRP B 9 -18.148 2.123 4.402 1.00 0.00 N ATOM 1472 CA TRP B 9 -19.044 1.264 3.675 1.00 0.00 C ATOM 1473 C TRP B 9 -19.689 0.330 4.681 1.00 0.00 C ATOM 1474 O TRP B 9 -19.080 -0.660 5.114 1.00 0.00 O ATOM 1475 CB TRP B 9 -18.231 0.491 2.631 1.00 0.00 C ATOM 1476 CG TRP B 9 -18.969 -0.496 1.781 1.00 0.00 C ATOM 1477 CD1 TRP B 9 -20.303 -0.538 1.530 1.00 0.00 C ATOM 1478 CD2 TRP B 9 -18.396 -1.589 1.032 1.00 0.00 C ATOM 1479 NE1 TRP B 9 -20.580 -1.544 0.670 1.00 0.00 N ATOM 1480 CE2 TRP B 9 -19.455 -2.216 0.368 1.00 0.00 C ATOM 1481 CE3 TRP B 9 -17.096 -2.099 0.849 1.00 0.00 C ATOM 1482 CZ2 TRP B 9 -19.284 -3.310 -0.446 1.00 0.00 C ATOM 1483 CZ3 TRP B 9 -16.934 -3.188 0.040 1.00 0.00 C ATOM 1484 CH2 TRP B 9 -18.033 -3.785 -0.596 1.00 0.00 C ATOM 0 H TRP B 9 -17.294 1.653 4.701 1.00 0.00 H new ATOM 0 HA TRP B 9 -19.822 1.823 3.154 1.00 0.00 H new ATOM 0 HB2 TRP B 9 -17.754 1.215 1.971 1.00 0.00 H new ATOM 0 HB3 TRP B 9 -17.433 -0.040 3.150 1.00 0.00 H new ATOM 0 HD1 TRP B 9 -21.035 0.133 1.955 1.00 0.00 H new ATOM 0 HE1 TRP B 9 -21.507 -1.761 0.304 1.00 0.00 H new ATOM 0 HE3 TRP B 9 -16.248 -1.641 1.336 1.00 0.00 H new ATOM 0 HZ2 TRP B 9 -20.122 -3.772 -0.947 1.00 0.00 H new ATOM 0 HZ3 TRP B 9 -15.945 -3.595 -0.112 1.00 0.00 H new ATOM 0 HH2 TRP B 9 -17.871 -4.649 -1.223 1.00 0.00 H new ATOM 1495 N GLY B 10 -20.879 0.686 5.118 1.00 0.00 N ATOM 1496 CA GLY B 10 -21.543 -0.087 6.127 1.00 0.00 C ATOM 1497 C GLY B 10 -20.848 0.117 7.439 1.00 0.00 C ATOM 1498 O GLY B 10 -20.725 1.249 7.899 1.00 0.00 O ATOM 0 H GLY B 10 -21.397 1.501 4.789 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -22.588 0.214 6.204 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -21.535 -1.143 5.858 1.00 0.00 H new ATOM 1502 N ASN B 11 -20.390 -0.941 8.044 1.00 0.00 N ATOM 1503 CA ASN B 11 -19.595 -0.819 9.262 1.00 0.00 C ATOM 1504 C ASN B 11 -18.092 -0.972 8.961 1.00 0.00 C ATOM 1505 O ASN B 11 -17.286 -1.117 9.887 1.00 0.00 O ATOM 1506 CB ASN B 11 -20.004 -1.879 10.307 1.00 0.00 C ATOM 1507 CG ASN B 11 -19.613 -3.314 9.925 1.00 0.00 C ATOM 1508 OD1 ASN B 11 -19.575 -3.683 8.744 1.00 0.00 O ATOM 1509 ND2 ASN B 11 -19.317 -4.125 10.914 1.00 0.00 N ATOM 0 H ASN B 11 -20.544 -1.898 7.727 1.00 0.00 H new ATOM 0 HA ASN B 11 -19.785 0.176 9.666 1.00 0.00 H new ATOM 0 HB2 ASN B 11 -19.543 -1.630 11.263 1.00 0.00 H new ATOM 0 HB3 ASN B 11 -21.083 -1.834 10.453 1.00 0.00 H new ATOM 0 HD21 ASN B 11 -19.046 -5.089 10.719 1.00 0.00 H new ATOM 0 HD22 ASN B 11 -19.358 -3.791 11.877 1.00 0.00 H new ATOM 1516 N SER B 12 -17.695 -0.865 7.705 1.00 0.00 N ATOM 1517 CA SER B 12 -16.368 -1.144 7.340 1.00 0.00 C ATOM 1518 C SER B 12 -15.768 0.054 6.632 1.00 0.00 C ATOM 1519 O SER B 12 -16.361 0.593 5.706 1.00 0.00 O ATOM 1520 CB SER B 12 -16.348 -2.367 6.408 1.00 0.00 C ATOM 1521 OG SER B 12 -15.023 -2.719 5.992 1.00 0.00 O ATOM 0 H SER B 12 -18.299 -0.582 6.933 1.00 0.00 H new ATOM 0 HA SER B 12 -15.780 -1.357 8.233 1.00 0.00 H new ATOM 0 HB2 SER B 12 -16.803 -3.216 6.918 1.00 0.00 H new ATOM 0 HB3 SER B 12 -16.958 -2.160 5.529 1.00 0.00 H new ATOM 0 HG SER B 12 -14.743 -2.130 5.260 1.00 0.00 H new ATOM 1527 N PRO B 13 -14.636 0.522 7.107 1.00 0.00 N ATOM 1528 CA PRO B 13 -13.861 1.521 6.401 1.00 0.00 C ATOM 1529 C PRO B 13 -13.421 0.943 5.057 1.00 0.00 C ATOM 1530 O PRO B 13 -12.914 -0.194 4.993 1.00 0.00 O ATOM 1531 CB PRO B 13 -12.642 1.764 7.285 1.00 0.00 C ATOM 1532 CG PRO B 13 -12.900 1.069 8.579 1.00 0.00 C ATOM 1533 CD PRO B 13 -14.050 0.131 8.381 1.00 0.00 C ATOM 0 HA PRO B 13 -14.418 2.438 6.212 1.00 0.00 H new ATOM 0 HB2 PRO B 13 -11.739 1.377 6.812 1.00 0.00 H new ATOM 0 HB3 PRO B 13 -12.487 2.831 7.444 1.00 0.00 H new ATOM 0 HG2 PRO B 13 -12.014 0.522 8.901 1.00 0.00 H new ATOM 0 HG3 PRO B 13 -13.129 1.793 9.361 1.00 0.00 H new ATOM 0 HD2 PRO B 13 -13.715 -0.906 8.360 1.00 0.00 H new ATOM 0 HD3 PRO B 13 -14.774 0.216 9.192 1.00 0.00 H new ATOM 1541 N ALA B 14 -13.652 1.668 4.009 1.00 0.00 N ATOM 1542 CA ALA B 14 -13.346 1.213 2.701 1.00 0.00 C ATOM 1543 C ALA B 14 -12.568 2.258 1.932 1.00 0.00 C ATOM 1544 O ALA B 14 -12.862 3.465 2.020 1.00 0.00 O ATOM 1545 CB ALA B 14 -14.623 0.858 1.977 1.00 0.00 C ATOM 0 H ALA B 14 -14.063 2.601 4.043 1.00 0.00 H new ATOM 0 HA ALA B 14 -12.720 0.324 2.776 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -14.386 0.509 0.972 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -15.143 0.070 2.522 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -15.262 1.739 1.914 1.00 0.00 H new ATOM 1551 N VAL B 15 -11.572 1.817 1.212 1.00 0.00 N ATOM 1552 CA VAL B 15 -10.785 2.699 0.387 1.00 0.00 C ATOM 1553 C VAL B 15 -11.162 2.460 -1.055 1.00 0.00 C ATOM 1554 O VAL B 15 -11.244 1.303 -1.491 1.00 0.00 O ATOM 1555 CB VAL B 15 -9.251 2.491 0.568 1.00 0.00 C ATOM 1556 CG1 VAL B 15 -8.462 3.470 -0.307 1.00 0.00 C ATOM 1557 CG2 VAL B 15 -8.859 2.676 2.019 1.00 0.00 C ATOM 0 H VAL B 15 -11.282 0.840 1.179 1.00 0.00 H new ATOM 0 HA VAL B 15 -10.999 3.724 0.690 1.00 0.00 H new ATOM 0 HB VAL B 15 -9.012 1.473 0.260 1.00 0.00 H new ATOM 0 HG11 VAL B 15 -7.394 3.306 -0.164 1.00 0.00 H new ATOM 0 HG12 VAL B 15 -8.717 3.309 -1.354 1.00 0.00 H new ATOM 0 HG13 VAL B 15 -8.713 4.493 -0.026 1.00 0.00 H new ATOM 0 HG21 VAL B 15 -7.785 2.527 2.127 1.00 0.00 H new ATOM 0 HG22 VAL B 15 -9.120 3.684 2.341 1.00 0.00 H new ATOM 0 HG23 VAL B 15 -9.390 1.950 2.635 1.00 0.00 H new ATOM 1567 N ARG B 16 -11.434 3.529 -1.768 1.00 0.00 N ATOM 1568 CA ARG B 16 -11.805 3.452 -3.157 1.00 0.00 C ATOM 1569 C ARG B 16 -10.587 3.249 -4.031 1.00 0.00 C ATOM 1570 O ARG B 16 -9.630 4.024 -3.966 1.00 0.00 O ATOM 1571 CB ARG B 16 -12.544 4.710 -3.586 1.00 0.00 C ATOM 1572 CG ARG B 16 -13.893 4.842 -2.954 1.00 0.00 C ATOM 1573 CD ARG B 16 -14.663 6.009 -3.510 1.00 0.00 C ATOM 1574 NE ARG B 16 -14.982 5.850 -4.938 1.00 0.00 N ATOM 1575 CZ ARG B 16 -15.454 6.823 -5.741 1.00 0.00 C ATOM 1576 NH1 ARG B 16 -15.647 8.056 -5.256 1.00 0.00 N ATOM 1577 NH2 ARG B 16 -15.726 6.563 -7.018 1.00 0.00 N ATOM 0 H ARG B 16 -11.403 4.479 -1.397 1.00 0.00 H new ATOM 0 HA ARG B 16 -12.467 2.595 -3.277 1.00 0.00 H new ATOM 0 HB2 ARG B 16 -11.943 5.582 -3.330 1.00 0.00 H new ATOM 0 HB3 ARG B 16 -12.656 4.707 -4.670 1.00 0.00 H new ATOM 0 HG2 ARG B 16 -14.460 3.925 -3.113 1.00 0.00 H new ATOM 0 HG3 ARG B 16 -13.779 4.963 -1.877 1.00 0.00 H new ATOM 0 HD2 ARG B 16 -15.588 6.130 -2.947 1.00 0.00 H new ATOM 0 HD3 ARG B 16 -14.083 6.921 -3.371 1.00 0.00 H new ATOM 0 HE ARG B 16 -14.834 4.930 -5.353 1.00 0.00 H new ATOM 0 HH11 ARG B 16 -15.437 8.258 -4.279 1.00 0.00 H new ATOM 0 HH12 ARG B 16 -16.004 8.793 -5.864 1.00 0.00 H new ATOM 0 HH21 ARG B 16 -15.577 5.625 -7.390 1.00 0.00 H new ATOM 0 HH22 ARG B 16 -16.083 7.302 -7.624 1.00 0.00 H new ATOM 1591 N ILE B 17 -10.604 2.200 -4.800 1.00 0.00 N ATOM 1592 CA ILE B 17 -9.549 1.928 -5.737 1.00 0.00 C ATOM 1593 C ILE B 17 -10.072 2.326 -7.106 1.00 0.00 C ATOM 1594 O ILE B 17 -11.180 1.926 -7.474 1.00 0.00 O ATOM 1595 CB ILE B 17 -9.171 0.406 -5.789 1.00 0.00 C ATOM 1596 CG1 ILE B 17 -8.861 -0.159 -4.392 1.00 0.00 C ATOM 1597 CG2 ILE B 17 -7.998 0.157 -6.737 1.00 0.00 C ATOM 1598 CD1 ILE B 17 -7.767 0.549 -3.624 1.00 0.00 C ATOM 0 H ILE B 17 -11.351 1.506 -4.797 1.00 0.00 H new ATOM 0 HA ILE B 17 -8.658 2.480 -5.436 1.00 0.00 H new ATOM 0 HB ILE B 17 -10.044 -0.121 -6.174 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -9.774 -0.129 -3.798 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -8.584 -1.208 -4.498 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -7.761 -0.907 -6.751 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -8.267 0.482 -7.742 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -7.128 0.718 -6.395 1.00 0.00 H new ATOM 0 HD11 ILE B 17 -7.633 0.068 -2.655 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -6.835 0.497 -4.187 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -8.044 1.593 -3.476 1.00 0.00 H new ATOM 1610 N PRO B 18 -9.338 3.147 -7.866 1.00 0.00 N ATOM 1611 CA PRO B 18 -9.751 3.499 -9.206 1.00 0.00 C ATOM 1612 C PRO B 18 -9.796 2.255 -10.089 1.00 0.00 C ATOM 1613 O PRO B 18 -8.849 1.442 -10.090 1.00 0.00 O ATOM 1614 CB PRO B 18 -8.664 4.466 -9.708 1.00 0.00 C ATOM 1615 CG PRO B 18 -7.924 4.901 -8.484 1.00 0.00 C ATOM 1616 CD PRO B 18 -8.082 3.804 -7.470 1.00 0.00 C ATOM 0 HA PRO B 18 -10.746 3.944 -9.229 1.00 0.00 H new ATOM 0 HB2 PRO B 18 -7.997 3.974 -10.416 1.00 0.00 H new ATOM 0 HB3 PRO B 18 -9.105 5.319 -10.225 1.00 0.00 H new ATOM 0 HG2 PRO B 18 -6.871 5.071 -8.709 1.00 0.00 H new ATOM 0 HG3 PRO B 18 -8.325 5.840 -8.103 1.00 0.00 H new ATOM 0 HD2 PRO B 18 -7.241 3.111 -7.495 1.00 0.00 H new ATOM 0 HD3 PRO B 18 -8.139 4.200 -6.456 1.00 0.00 H new ATOM 1624 N ALA B 19 -10.867 2.117 -10.851 1.00 0.00 N ATOM 1625 CA ALA B 19 -11.060 0.988 -11.748 1.00 0.00 C ATOM 1626 C ALA B 19 -9.957 0.959 -12.795 1.00 0.00 C ATOM 1627 O ALA B 19 -9.611 -0.090 -13.319 1.00 0.00 O ATOM 1628 CB ALA B 19 -12.432 1.051 -12.404 1.00 0.00 C ATOM 0 H ALA B 19 -11.634 2.790 -10.866 1.00 0.00 H new ATOM 0 HA ALA B 19 -11.010 0.067 -11.168 1.00 0.00 H new ATOM 0 HB1 ALA B 19 -12.556 0.198 -13.071 1.00 0.00 H new ATOM 0 HB2 ALA B 19 -13.204 1.026 -11.635 1.00 0.00 H new ATOM 0 HB3 ALA B 19 -12.520 1.974 -12.976 1.00 0.00 H new ATOM 1634 N THR B 20 -9.407 2.121 -13.082 1.00 0.00 N ATOM 1635 CA THR B 20 -8.280 2.258 -13.974 1.00 0.00 C ATOM 1636 C THR B 20 -7.060 1.478 -13.426 1.00 0.00 C ATOM 1637 O THR B 20 -6.373 0.790 -14.162 1.00 0.00 O ATOM 1638 CB THR B 20 -7.935 3.749 -14.121 1.00 0.00 C ATOM 1639 OG1 THR B 20 -9.139 4.460 -14.444 1.00 0.00 O ATOM 1640 CG2 THR B 20 -6.918 3.974 -15.227 1.00 0.00 C ATOM 0 H THR B 20 -9.736 3.006 -12.696 1.00 0.00 H new ATOM 0 HA THR B 20 -8.538 1.845 -14.949 1.00 0.00 H new ATOM 0 HB THR B 20 -7.505 4.105 -13.185 1.00 0.00 H new ATOM 0 HG1 THR B 20 -8.939 5.415 -14.540 1.00 0.00 H new ATOM 0 HG21 THR B 20 -6.695 5.038 -15.306 1.00 0.00 H new ATOM 0 HG22 THR B 20 -6.003 3.428 -14.997 1.00 0.00 H new ATOM 0 HG23 THR B 20 -7.325 3.618 -16.173 1.00 0.00 H new ATOM 1648 N LEU B 21 -6.851 1.546 -12.115 1.00 0.00 N ATOM 1649 CA LEU B 21 -5.730 0.865 -11.462 1.00 0.00 C ATOM 1650 C LEU B 21 -5.989 -0.587 -11.345 1.00 0.00 C ATOM 1651 O LEU B 21 -5.080 -1.393 -11.436 1.00 0.00 O ATOM 1652 CB LEU B 21 -5.446 1.457 -10.099 1.00 0.00 C ATOM 1653 CG LEU B 21 -4.470 2.617 -10.064 1.00 0.00 C ATOM 1654 CD1 LEU B 21 -3.054 2.117 -10.321 1.00 0.00 C ATOM 1655 CD2 LEU B 21 -4.831 3.673 -11.089 1.00 0.00 C ATOM 0 H LEU B 21 -7.448 2.070 -11.476 1.00 0.00 H new ATOM 0 HA LEU B 21 -4.849 1.012 -12.087 1.00 0.00 H new ATOM 0 HB2 LEU B 21 -6.390 1.790 -9.666 1.00 0.00 H new ATOM 0 HB3 LEU B 21 -5.062 0.666 -9.455 1.00 0.00 H new ATOM 0 HG LEU B 21 -4.524 3.069 -9.074 1.00 0.00 H new ATOM 0 HD11 LEU B 21 -2.361 2.958 -10.294 1.00 0.00 H new ATOM 0 HD12 LEU B 21 -2.778 1.394 -9.553 1.00 0.00 H new ATOM 0 HD13 LEU B 21 -3.008 1.641 -11.300 1.00 0.00 H new ATOM 0 HD21 LEU B 21 -4.112 4.491 -11.038 1.00 0.00 H new ATOM 0 HD22 LEU B 21 -4.811 3.234 -12.086 1.00 0.00 H new ATOM 0 HD23 LEU B 21 -5.830 4.055 -10.881 1.00 0.00 H new ATOM 1667 N MET B 22 -7.226 -0.905 -11.128 1.00 0.00 N ATOM 1668 CA MET B 22 -7.692 -2.299 -11.119 1.00 0.00 C ATOM 1669 C MET B 22 -7.247 -2.986 -12.393 1.00 0.00 C ATOM 1670 O MET B 22 -6.577 -4.025 -12.374 1.00 0.00 O ATOM 1671 CB MET B 22 -9.213 -2.350 -11.015 1.00 0.00 C ATOM 1672 CG MET B 22 -9.780 -1.817 -9.720 1.00 0.00 C ATOM 1673 SD MET B 22 -9.493 -2.898 -8.330 1.00 0.00 S ATOM 1674 CE MET B 22 -10.441 -4.322 -8.857 1.00 0.00 C ATOM 0 H MET B 22 -7.961 -0.220 -10.949 1.00 0.00 H new ATOM 0 HA MET B 22 -7.264 -2.810 -10.256 1.00 0.00 H new ATOM 0 HB2 MET B 22 -9.638 -1.782 -11.842 1.00 0.00 H new ATOM 0 HB3 MET B 22 -9.537 -3.383 -11.138 1.00 0.00 H new ATOM 0 HG2 MET B 22 -9.339 -0.842 -9.511 1.00 0.00 H new ATOM 0 HG3 MET B 22 -10.853 -1.663 -9.837 1.00 0.00 H new ATOM 0 HE1 MET B 22 -10.568 -5.006 -8.018 1.00 0.00 H new ATOM 0 HE2 MET B 22 -11.419 -3.997 -9.211 1.00 0.00 H new ATOM 0 HE3 MET B 22 -9.914 -4.832 -9.664 1.00 0.00 H new ATOM 1684 N GLN B 23 -7.582 -2.358 -13.481 1.00 0.00 N ATOM 1685 CA GLN B 23 -7.215 -2.795 -14.813 1.00 0.00 C ATOM 1686 C GLN B 23 -5.709 -2.759 -15.013 1.00 0.00 C ATOM 1687 O GLN B 23 -5.139 -3.617 -15.689 1.00 0.00 O ATOM 1688 CB GLN B 23 -7.881 -1.886 -15.824 1.00 0.00 C ATOM 1689 CG GLN B 23 -9.376 -1.958 -15.770 1.00 0.00 C ATOM 1690 CD GLN B 23 -10.057 -0.965 -16.685 1.00 0.00 C ATOM 1691 OE1 GLN B 23 -10.333 -1.249 -17.847 1.00 0.00 O ATOM 1692 NE2 GLN B 23 -10.351 0.196 -16.163 1.00 0.00 N ATOM 0 H GLN B 23 -8.135 -1.501 -13.475 1.00 0.00 H new ATOM 0 HA GLN B 23 -7.546 -3.825 -14.946 1.00 0.00 H new ATOM 0 HB2 GLN B 23 -7.564 -0.858 -15.646 1.00 0.00 H new ATOM 0 HB3 GLN B 23 -7.544 -2.155 -16.825 1.00 0.00 H new ATOM 0 HG2 GLN B 23 -9.694 -2.966 -16.038 1.00 0.00 H new ATOM 0 HG3 GLN B 23 -9.704 -1.782 -14.746 1.00 0.00 H new ATOM 0 HE21 GLN B 23 -10.106 0.396 -15.193 1.00 0.00 H new ATOM 0 HE22 GLN B 23 -10.826 0.902 -16.725 1.00 0.00 H new ATOM 1701 N ALA B 24 -5.067 -1.804 -14.386 1.00 0.00 N ATOM 1702 CA ALA B 24 -3.629 -1.611 -14.568 1.00 0.00 C ATOM 1703 C ALA B 24 -2.831 -2.705 -13.877 1.00 0.00 C ATOM 1704 O ALA B 24 -1.764 -3.113 -14.351 1.00 0.00 O ATOM 1705 CB ALA B 24 -3.202 -0.244 -14.060 1.00 0.00 C ATOM 0 H ALA B 24 -5.506 -1.144 -13.744 1.00 0.00 H new ATOM 0 HA ALA B 24 -3.421 -1.667 -15.637 1.00 0.00 H new ATOM 0 HB1 ALA B 24 -2.129 -0.121 -14.205 1.00 0.00 H new ATOM 0 HB2 ALA B 24 -3.734 0.531 -14.611 1.00 0.00 H new ATOM 0 HB3 ALA B 24 -3.437 -0.161 -12.999 1.00 0.00 H new ATOM 1711 N LEU B 25 -3.362 -3.182 -12.779 1.00 0.00 N ATOM 1712 CA LEU B 25 -2.709 -4.173 -11.953 1.00 0.00 C ATOM 1713 C LEU B 25 -3.288 -5.571 -12.148 1.00 0.00 C ATOM 1714 O LEU B 25 -2.975 -6.490 -11.396 1.00 0.00 O ATOM 1715 CB LEU B 25 -2.792 -3.721 -10.519 1.00 0.00 C ATOM 1716 CG LEU B 25 -1.968 -2.481 -10.218 1.00 0.00 C ATOM 1717 CD1 LEU B 25 -2.452 -1.838 -8.964 1.00 0.00 C ATOM 1718 CD2 LEU B 25 -0.521 -2.874 -10.047 1.00 0.00 C ATOM 0 H LEU B 25 -4.274 -2.890 -12.427 1.00 0.00 H new ATOM 0 HA LEU B 25 -1.664 -4.255 -12.252 1.00 0.00 H new ATOM 0 HB2 LEU B 25 -3.834 -3.522 -10.270 1.00 0.00 H new ATOM 0 HB3 LEU B 25 -2.459 -4.533 -9.872 1.00 0.00 H new ATOM 0 HG LEU B 25 -2.068 -1.777 -11.044 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -1.855 -0.950 -8.757 1.00 0.00 H new ATOM 0 HD12 LEU B 25 -3.498 -1.553 -9.081 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -2.358 -2.540 -8.135 1.00 0.00 H new ATOM 0 HD21 LEU B 25 0.074 -1.987 -9.831 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -0.431 -3.581 -9.222 1.00 0.00 H new ATOM 0 HD23 LEU B 25 -0.159 -3.339 -10.964 1.00 0.00 H new ATOM 1730 N ASN B 26 -4.146 -5.704 -13.158 1.00 0.00 N ATOM 1731 CA ASN B 26 -4.709 -7.000 -13.614 1.00 0.00 C ATOM 1732 C ASN B 26 -5.622 -7.682 -12.592 1.00 0.00 C ATOM 1733 O ASN B 26 -5.909 -8.887 -12.707 1.00 0.00 O ATOM 1734 CB ASN B 26 -3.598 -7.979 -14.069 1.00 0.00 C ATOM 1735 CG ASN B 26 -2.816 -7.487 -15.275 1.00 0.00 C ATOM 1736 OD1 ASN B 26 -3.194 -7.735 -16.416 1.00 0.00 O ATOM 1737 ND2 ASN B 26 -1.703 -6.833 -15.045 1.00 0.00 N ATOM 0 H ASN B 26 -4.483 -4.908 -13.700 1.00 0.00 H new ATOM 0 HA ASN B 26 -5.336 -6.743 -14.468 1.00 0.00 H new ATOM 0 HB2 ASN B 26 -2.908 -8.144 -13.241 1.00 0.00 H new ATOM 0 HB3 ASN B 26 -4.048 -8.943 -14.306 1.00 0.00 H new ATOM 0 HD21 ASN B 26 -1.127 -6.516 -15.825 1.00 0.00 H new ATOM 0 HD22 ASN B 26 -1.413 -6.641 -14.086 1.00 0.00 H new ATOM 1744 N LEU B 27 -6.126 -6.942 -11.638 1.00 0.00 N ATOM 1745 CA LEU B 27 -6.982 -7.519 -10.668 1.00 0.00 C ATOM 1746 C LEU B 27 -8.413 -7.169 -10.988 1.00 0.00 C ATOM 1747 O LEU B 27 -8.688 -6.176 -11.663 1.00 0.00 O ATOM 1748 CB LEU B 27 -6.652 -7.066 -9.255 1.00 0.00 C ATOM 1749 CG LEU B 27 -6.953 -5.621 -8.883 1.00 0.00 C ATOM 1750 CD1 LEU B 27 -7.381 -5.576 -7.445 1.00 0.00 C ATOM 1751 CD2 LEU B 27 -5.738 -4.742 -9.063 1.00 0.00 C ATOM 0 H LEU B 27 -5.952 -5.944 -11.523 1.00 0.00 H new ATOM 0 HA LEU B 27 -6.835 -8.598 -10.705 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -7.194 -7.710 -8.562 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -5.589 -7.240 -9.087 1.00 0.00 H new ATOM 0 HG LEU B 27 -7.742 -5.250 -9.537 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -7.600 -4.546 -7.163 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -8.274 -6.187 -7.312 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -6.580 -5.962 -6.815 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -5.987 -3.717 -8.789 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -4.931 -5.102 -8.426 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -5.419 -4.772 -10.105 1.00 0.00 H new ATOM 1763 N ASN B 28 -9.307 -7.989 -10.559 1.00 0.00 N ATOM 1764 CA ASN B 28 -10.734 -7.764 -10.736 1.00 0.00 C ATOM 1765 C ASN B 28 -11.378 -7.777 -9.375 1.00 0.00 C ATOM 1766 O ASN B 28 -10.686 -7.926 -8.365 1.00 0.00 O ATOM 1767 CB ASN B 28 -11.383 -8.851 -11.640 1.00 0.00 C ATOM 1768 CG ASN B 28 -11.126 -8.704 -13.156 1.00 0.00 C ATOM 1769 OD1 ASN B 28 -11.935 -9.152 -13.971 1.00 0.00 O ATOM 1770 ND2 ASN B 28 -10.064 -8.056 -13.544 1.00 0.00 N ATOM 0 H ASN B 28 -9.084 -8.853 -10.065 1.00 0.00 H new ATOM 0 HA ASN B 28 -10.885 -6.804 -11.231 1.00 0.00 H new ATOM 0 HB2 ASN B 28 -11.018 -9.827 -11.321 1.00 0.00 H new ATOM 0 HB3 ASN B 28 -12.460 -8.843 -11.470 1.00 0.00 H new ATOM 0 HD21 ASN B 28 -9.890 -7.911 -14.539 1.00 0.00 H new ATOM 0 HD22 ASN B 28 -9.407 -7.693 -12.853 1.00 0.00 H new ATOM 1777 N ILE B 29 -12.675 -7.617 -9.324 1.00 0.00 N ATOM 1778 CA ILE B 29 -13.380 -7.662 -8.059 1.00 0.00 C ATOM 1779 C ILE B 29 -13.340 -9.087 -7.497 1.00 0.00 C ATOM 1780 O ILE B 29 -13.372 -10.063 -8.262 1.00 0.00 O ATOM 1781 CB ILE B 29 -14.850 -7.158 -8.207 1.00 0.00 C ATOM 1782 CG1 ILE B 29 -14.885 -5.665 -8.586 1.00 0.00 C ATOM 1783 CG2 ILE B 29 -15.700 -7.417 -6.955 1.00 0.00 C ATOM 1784 CD1 ILE B 29 -14.209 -4.747 -7.586 1.00 0.00 C ATOM 0 H ILE B 29 -13.267 -7.455 -10.138 1.00 0.00 H new ATOM 0 HA ILE B 29 -12.881 -6.992 -7.359 1.00 0.00 H new ATOM 0 HB ILE B 29 -15.294 -7.739 -9.015 1.00 0.00 H new ATOM 0 HG12 ILE B 29 -14.407 -5.538 -9.557 1.00 0.00 H new ATOM 0 HG13 ILE B 29 -15.924 -5.356 -8.699 1.00 0.00 H new ATOM 0 HG21 ILE B 29 -16.711 -7.045 -7.118 1.00 0.00 H new ATOM 0 HG22 ILE B 29 -15.735 -8.488 -6.754 1.00 0.00 H new ATOM 0 HG23 ILE B 29 -15.258 -6.902 -6.102 1.00 0.00 H new ATOM 0 HD11 ILE B 29 -14.281 -3.716 -7.932 1.00 0.00 H new ATOM 0 HD12 ILE B 29 -14.700 -4.840 -6.617 1.00 0.00 H new ATOM 0 HD13 ILE B 29 -13.159 -5.025 -7.489 1.00 0.00 H new ATOM 1796 N ASP B 30 -13.199 -9.172 -6.185 1.00 0.00 N ATOM 1797 CA ASP B 30 -13.149 -10.407 -5.401 1.00 0.00 C ATOM 1798 C ASP B 30 -11.788 -11.081 -5.541 1.00 0.00 C ATOM 1799 O ASP B 30 -11.625 -12.276 -5.317 1.00 0.00 O ATOM 1800 CB ASP B 30 -14.337 -11.350 -5.727 1.00 0.00 C ATOM 1801 CG ASP B 30 -14.453 -12.518 -4.771 1.00 0.00 C ATOM 1802 OD1 ASP B 30 -14.558 -12.288 -3.564 1.00 0.00 O ATOM 1803 OD2 ASP B 30 -14.435 -13.684 -5.220 1.00 0.00 O ATOM 0 H ASP B 30 -13.111 -8.340 -5.602 1.00 0.00 H new ATOM 0 HA ASP B 30 -13.265 -10.148 -4.349 1.00 0.00 H new ATOM 0 HB2 ASP B 30 -15.264 -10.777 -5.704 1.00 0.00 H new ATOM 0 HB3 ASP B 30 -14.222 -11.730 -6.742 1.00 0.00 H new ATOM 1808 N ASP B 31 -10.783 -10.288 -5.874 1.00 0.00 N ATOM 1809 CA ASP B 31 -9.438 -10.803 -5.943 1.00 0.00 C ATOM 1810 C ASP B 31 -8.818 -10.584 -4.603 1.00 0.00 C ATOM 1811 O ASP B 31 -8.955 -9.492 -4.015 1.00 0.00 O ATOM 1812 CB ASP B 31 -8.596 -10.117 -7.021 1.00 0.00 C ATOM 1813 CG ASP B 31 -7.283 -10.863 -7.301 1.00 0.00 C ATOM 1814 OD1 ASP B 31 -7.333 -11.957 -7.931 1.00 0.00 O ATOM 1815 OD2 ASP B 31 -6.205 -10.393 -6.920 1.00 0.00 O ATOM 0 H ASP B 31 -10.877 -9.297 -6.097 1.00 0.00 H new ATOM 0 HA ASP B 31 -9.474 -11.859 -6.210 1.00 0.00 H new ATOM 0 HB2 ASP B 31 -9.175 -10.048 -7.942 1.00 0.00 H new ATOM 0 HB3 ASP B 31 -8.372 -9.097 -6.709 1.00 0.00 H new ATOM 1820 N GLU B 32 -8.218 -11.610 -4.099 1.00 0.00 N ATOM 1821 CA GLU B 32 -7.602 -11.616 -2.823 1.00 0.00 C ATOM 1822 C GLU B 32 -6.344 -10.765 -2.845 1.00 0.00 C ATOM 1823 O GLU B 32 -5.560 -10.820 -3.799 1.00 0.00 O ATOM 1824 CB GLU B 32 -7.335 -13.066 -2.402 1.00 0.00 C ATOM 1825 CG GLU B 32 -6.563 -13.235 -1.119 1.00 0.00 C ATOM 1826 CD GLU B 32 -6.404 -14.681 -0.734 1.00 0.00 C ATOM 1827 OE1 GLU B 32 -5.479 -15.350 -1.233 1.00 0.00 O ATOM 1828 OE2 GLU B 32 -7.213 -15.187 0.074 1.00 0.00 O ATOM 0 H GLU B 32 -8.143 -12.502 -4.588 1.00 0.00 H new ATOM 0 HA GLU B 32 -8.262 -11.172 -2.078 1.00 0.00 H new ATOM 0 HB2 GLU B 32 -8.291 -13.579 -2.301 1.00 0.00 H new ATOM 0 HB3 GLU B 32 -6.789 -13.564 -3.203 1.00 0.00 H new ATOM 0 HG2 GLU B 32 -5.579 -12.780 -1.227 1.00 0.00 H new ATOM 0 HG3 GLU B 32 -7.074 -12.702 -0.317 1.00 0.00 H new ATOM 1835 N VAL B 33 -6.187 -9.947 -1.825 1.00 0.00 N ATOM 1836 CA VAL B 33 -5.076 -9.045 -1.724 1.00 0.00 C ATOM 1837 C VAL B 33 -4.464 -9.133 -0.340 1.00 0.00 C ATOM 1838 O VAL B 33 -5.160 -9.423 0.650 1.00 0.00 O ATOM 1839 CB VAL B 33 -5.453 -7.542 -2.056 1.00 0.00 C ATOM 1840 CG1 VAL B 33 -6.370 -7.456 -3.244 1.00 0.00 C ATOM 1841 CG2 VAL B 33 -6.097 -6.817 -0.893 1.00 0.00 C ATOM 0 H VAL B 33 -6.836 -9.895 -1.040 1.00 0.00 H new ATOM 0 HA VAL B 33 -4.352 -9.356 -2.477 1.00 0.00 H new ATOM 0 HB VAL B 33 -4.505 -7.052 -2.279 1.00 0.00 H new ATOM 0 HG11 VAL B 33 -6.609 -6.412 -3.444 1.00 0.00 H new ATOM 0 HG12 VAL B 33 -5.879 -7.890 -4.115 1.00 0.00 H new ATOM 0 HG13 VAL B 33 -7.288 -8.005 -3.035 1.00 0.00 H new ATOM 0 HG21 VAL B 33 -6.330 -5.793 -1.186 1.00 0.00 H new ATOM 0 HG22 VAL B 33 -7.015 -7.331 -0.607 1.00 0.00 H new ATOM 0 HG23 VAL B 33 -5.410 -6.804 -0.047 1.00 0.00 H new ATOM 1851 N LYS B 34 -3.181 -8.928 -0.281 1.00 0.00 N ATOM 1852 CA LYS B 34 -2.472 -8.899 0.968 1.00 0.00 C ATOM 1853 C LYS B 34 -2.404 -7.470 1.450 1.00 0.00 C ATOM 1854 O LYS B 34 -2.074 -6.569 0.671 1.00 0.00 O ATOM 1855 CB LYS B 34 -1.043 -9.422 0.809 1.00 0.00 C ATOM 1856 CG LYS B 34 -0.930 -10.849 0.302 1.00 0.00 C ATOM 1857 CD LYS B 34 0.522 -11.279 0.063 1.00 0.00 C ATOM 1858 CE LYS B 34 1.285 -10.320 -0.845 1.00 0.00 C ATOM 1859 NZ LYS B 34 2.033 -9.274 -0.094 1.00 0.00 N ATOM 0 H LYS B 34 -2.593 -8.775 -1.100 1.00 0.00 H new ATOM 0 HA LYS B 34 -3.000 -9.535 1.679 1.00 0.00 H new ATOM 0 HB2 LYS B 34 -0.507 -8.766 0.123 1.00 0.00 H new ATOM 0 HB3 LYS B 34 -0.539 -9.355 1.773 1.00 0.00 H new ATOM 0 HG2 LYS B 34 -1.390 -11.524 1.023 1.00 0.00 H new ATOM 0 HG3 LYS B 34 -1.491 -10.945 -0.628 1.00 0.00 H new ATOM 0 HD2 LYS B 34 1.037 -11.350 1.021 1.00 0.00 H new ATOM 0 HD3 LYS B 34 0.532 -12.275 -0.379 1.00 0.00 H new ATOM 0 HE2 LYS B 34 1.984 -10.889 -1.458 1.00 0.00 H new ATOM 0 HE3 LYS B 34 0.583 -9.838 -1.526 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 2.080 -8.405 -0.663 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 1.545 -9.074 0.802 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 2.997 -9.611 0.104 1.00 0.00 H new ATOM 1873 N ILE B 35 -2.778 -7.262 2.676 1.00 0.00 N ATOM 1874 CA ILE B 35 -2.637 -5.991 3.319 1.00 0.00 C ATOM 1875 C ILE B 35 -1.499 -6.124 4.303 1.00 0.00 C ATOM 1876 O ILE B 35 -1.636 -6.776 5.365 1.00 0.00 O ATOM 1877 CB ILE B 35 -3.930 -5.476 4.071 1.00 0.00 C ATOM 1878 CG1 ILE B 35 -5.133 -5.262 3.129 1.00 0.00 C ATOM 1879 CG2 ILE B 35 -3.642 -4.184 4.826 1.00 0.00 C ATOM 1880 CD1 ILE B 35 -5.831 -6.524 2.683 1.00 0.00 C ATOM 0 H ILE B 35 -3.196 -7.981 3.266 1.00 0.00 H new ATOM 0 HA ILE B 35 -2.451 -5.247 2.544 1.00 0.00 H new ATOM 0 HB ILE B 35 -4.200 -6.264 4.775 1.00 0.00 H new ATOM 0 HG12 ILE B 35 -5.859 -4.622 3.632 1.00 0.00 H new ATOM 0 HG13 ILE B 35 -4.791 -4.723 2.245 1.00 0.00 H new ATOM 0 HG21 ILE B 35 -4.547 -3.850 5.335 1.00 0.00 H new ATOM 0 HG22 ILE B 35 -2.856 -4.359 5.561 1.00 0.00 H new ATOM 0 HG23 ILE B 35 -3.317 -3.417 4.123 1.00 0.00 H new ATOM 0 HD11 ILE B 35 -6.661 -6.267 2.025 1.00 0.00 H new ATOM 0 HD12 ILE B 35 -5.126 -7.160 2.147 1.00 0.00 H new ATOM 0 HD13 ILE B 35 -6.210 -7.057 3.555 1.00 0.00 H new ATOM 1892 N ASP B 36 -0.381 -5.581 3.950 1.00 0.00 N ATOM 1893 CA ASP B 36 0.780 -5.673 4.775 1.00 0.00 C ATOM 1894 C ASP B 36 1.110 -4.286 5.276 1.00 0.00 C ATOM 1895 O ASP B 36 1.146 -3.335 4.501 1.00 0.00 O ATOM 1896 CB ASP B 36 1.973 -6.295 4.005 1.00 0.00 C ATOM 1897 CG ASP B 36 1.694 -7.704 3.462 1.00 0.00 C ATOM 1898 OD1 ASP B 36 1.561 -8.650 4.266 1.00 0.00 O ATOM 1899 OD2 ASP B 36 1.674 -7.889 2.211 1.00 0.00 O ATOM 0 H ASP B 36 -0.245 -5.061 3.083 1.00 0.00 H new ATOM 0 HA ASP B 36 0.582 -6.333 5.619 1.00 0.00 H new ATOM 0 HB2 ASP B 36 2.237 -5.641 3.174 1.00 0.00 H new ATOM 0 HB3 ASP B 36 2.839 -6.336 4.666 1.00 0.00 H new ATOM 1904 N LEU B 37 1.285 -4.138 6.565 1.00 0.00 N ATOM 1905 CA LEU B 37 1.567 -2.901 7.137 1.00 0.00 C ATOM 1906 C LEU B 37 3.058 -2.704 7.067 1.00 0.00 C ATOM 1907 O LEU B 37 3.837 -3.540 7.530 1.00 0.00 O ATOM 1908 CB LEU B 37 1.074 -2.914 8.584 1.00 0.00 C ATOM 1909 CG LEU B 37 0.930 -1.576 9.316 1.00 0.00 C ATOM 1910 CD1 LEU B 37 2.241 -0.872 9.476 1.00 0.00 C ATOM 1911 CD2 LEU B 37 -0.083 -0.704 8.635 1.00 0.00 C ATOM 0 H LEU B 37 1.229 -4.905 7.235 1.00 0.00 H new ATOM 0 HA LEU B 37 1.071 -2.083 6.615 1.00 0.00 H new ATOM 0 HB2 LEU B 37 0.102 -3.407 8.599 1.00 0.00 H new ATOM 0 HB3 LEU B 37 1.757 -3.537 9.162 1.00 0.00 H new ATOM 0 HG LEU B 37 0.571 -1.793 10.322 1.00 0.00 H new ATOM 0 HD11 LEU B 37 2.086 0.071 10.000 1.00 0.00 H new ATOM 0 HD12 LEU B 37 2.923 -1.499 10.050 1.00 0.00 H new ATOM 0 HD13 LEU B 37 2.670 -0.674 8.494 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -0.169 0.241 9.172 1.00 0.00 H new ATOM 0 HD22 LEU B 37 0.233 -0.512 7.610 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -1.050 -1.207 8.628 1.00 0.00 H new ATOM 1923 N VAL B 38 3.430 -1.620 6.514 1.00 0.00 N ATOM 1924 CA VAL B 38 4.832 -1.272 6.304 1.00 0.00 C ATOM 1925 C VAL B 38 5.016 0.223 6.532 1.00 0.00 C ATOM 1926 O VAL B 38 4.336 1.025 5.895 1.00 0.00 O ATOM 1927 CB VAL B 38 5.325 -1.610 4.842 1.00 0.00 C ATOM 1928 CG1 VAL B 38 6.804 -1.279 4.667 1.00 0.00 C ATOM 1929 CG2 VAL B 38 5.075 -3.069 4.468 1.00 0.00 C ATOM 0 H VAL B 38 2.777 -0.913 6.176 1.00 0.00 H new ATOM 0 HA VAL B 38 5.420 -1.861 7.008 1.00 0.00 H new ATOM 0 HB VAL B 38 4.738 -0.986 4.169 1.00 0.00 H new ATOM 0 HG11 VAL B 38 7.114 -1.523 3.651 1.00 0.00 H new ATOM 0 HG12 VAL B 38 6.963 -0.216 4.850 1.00 0.00 H new ATOM 0 HG13 VAL B 38 7.393 -1.861 5.375 1.00 0.00 H new ATOM 0 HG21 VAL B 38 5.431 -3.251 3.454 1.00 0.00 H new ATOM 0 HG22 VAL B 38 5.608 -3.719 5.162 1.00 0.00 H new ATOM 0 HG23 VAL B 38 4.007 -3.280 4.521 1.00 0.00 H new ATOM 1939 N ASP B 39 5.864 0.581 7.501 1.00 0.00 N ATOM 1940 CA ASP B 39 6.270 1.992 7.774 1.00 0.00 C ATOM 1941 C ASP B 39 5.096 2.932 8.028 1.00 0.00 C ATOM 1942 O ASP B 39 5.167 4.129 7.720 1.00 0.00 O ATOM 1943 CB ASP B 39 7.166 2.556 6.647 1.00 0.00 C ATOM 1944 CG ASP B 39 8.586 2.046 6.696 1.00 0.00 C ATOM 1945 OD1 ASP B 39 8.872 0.958 6.177 1.00 0.00 O ATOM 1946 OD2 ASP B 39 9.452 2.735 7.264 1.00 0.00 O ATOM 0 H ASP B 39 6.299 -0.093 8.131 1.00 0.00 H new ATOM 0 HA ASP B 39 6.844 1.947 8.700 1.00 0.00 H new ATOM 0 HB2 ASP B 39 6.729 2.298 5.682 1.00 0.00 H new ATOM 0 HB3 ASP B 39 7.176 3.644 6.712 1.00 0.00 H new ATOM 1951 N GLY B 40 4.046 2.410 8.606 1.00 0.00 N ATOM 1952 CA GLY B 40 2.906 3.225 8.942 1.00 0.00 C ATOM 1953 C GLY B 40 1.889 3.351 7.835 1.00 0.00 C ATOM 1954 O GLY B 40 1.018 4.220 7.889 1.00 0.00 O ATOM 0 H GLY B 40 3.956 1.425 8.854 1.00 0.00 H new ATOM 0 HA2 GLY B 40 2.419 2.804 9.822 1.00 0.00 H new ATOM 0 HA3 GLY B 40 3.254 4.221 9.216 1.00 0.00 H new ATOM 1958 N LYS B 41 2.002 2.529 6.824 1.00 0.00 N ATOM 1959 CA LYS B 41 1.021 2.518 5.767 1.00 0.00 C ATOM 1960 C LYS B 41 0.547 1.142 5.428 1.00 0.00 C ATOM 1961 O LYS B 41 1.213 0.137 5.736 1.00 0.00 O ATOM 1962 CB LYS B 41 1.417 3.297 4.496 1.00 0.00 C ATOM 1963 CG LYS B 41 2.854 3.199 4.008 1.00 0.00 C ATOM 1964 CD LYS B 41 3.714 4.180 4.764 1.00 0.00 C ATOM 1965 CE LYS B 41 5.051 4.409 4.112 1.00 0.00 C ATOM 1966 NZ LYS B 41 5.699 5.599 4.694 1.00 0.00 N ATOM 0 H LYS B 41 2.762 1.859 6.709 1.00 0.00 H new ATOM 0 HA LYS B 41 0.184 3.069 6.196 1.00 0.00 H new ATOM 0 HB2 LYS B 41 0.768 2.964 3.686 1.00 0.00 H new ATOM 0 HB3 LYS B 41 1.196 4.350 4.669 1.00 0.00 H new ATOM 0 HG2 LYS B 41 3.229 2.186 4.152 1.00 0.00 H new ATOM 0 HG3 LYS B 41 2.901 3.408 2.939 1.00 0.00 H new ATOM 0 HD2 LYS B 41 3.187 5.131 4.845 1.00 0.00 H new ATOM 0 HD3 LYS B 41 3.868 3.814 5.779 1.00 0.00 H new ATOM 0 HE2 LYS B 41 5.687 3.534 4.250 1.00 0.00 H new ATOM 0 HE3 LYS B 41 4.923 4.543 3.038 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 6.545 5.840 4.139 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 5.035 6.399 4.677 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 5.975 5.399 5.677 1.00 0.00 H new ATOM 1980 N LEU B 42 -0.596 1.105 4.804 1.00 0.00 N ATOM 1981 CA LEU B 42 -1.253 -0.100 4.417 1.00 0.00 C ATOM 1982 C LEU B 42 -0.916 -0.411 3.004 1.00 0.00 C ATOM 1983 O LEU B 42 -1.239 0.336 2.079 1.00 0.00 O ATOM 1984 CB LEU B 42 -2.753 0.062 4.589 1.00 0.00 C ATOM 1985 CG LEU B 42 -3.188 0.259 6.020 1.00 0.00 C ATOM 1986 CD1 LEU B 42 -4.540 0.950 6.080 1.00 0.00 C ATOM 1987 CD2 LEU B 42 -3.264 -1.075 6.744 1.00 0.00 C ATOM 0 H LEU B 42 -1.110 1.947 4.544 1.00 0.00 H new ATOM 0 HA LEU B 42 -0.919 -0.925 5.047 1.00 0.00 H new ATOM 0 HB2 LEU B 42 -3.086 0.915 3.998 1.00 0.00 H new ATOM 0 HB3 LEU B 42 -3.252 -0.819 4.186 1.00 0.00 H new ATOM 0 HG LEU B 42 -2.447 0.889 6.512 1.00 0.00 H new ATOM 0 HD11 LEU B 42 -4.835 1.082 7.121 1.00 0.00 H new ATOM 0 HD12 LEU B 42 -4.473 1.924 5.595 1.00 0.00 H new ATOM 0 HD13 LEU B 42 -5.283 0.340 5.567 1.00 0.00 H new ATOM 0 HD21 LEU B 42 -3.579 -0.912 7.775 1.00 0.00 H new ATOM 0 HD22 LEU B 42 -3.984 -1.721 6.242 1.00 0.00 H new ATOM 0 HD23 LEU B 42 -2.283 -1.550 6.736 1.00 0.00 H new ATOM 1999 N ILE B 43 -0.222 -1.455 2.851 1.00 0.00 N ATOM 2000 CA ILE B 43 0.192 -1.926 1.562 1.00 0.00 C ATOM 2001 C ILE B 43 -0.797 -2.949 1.078 1.00 0.00 C ATOM 2002 O ILE B 43 -1.005 -3.979 1.699 1.00 0.00 O ATOM 2003 CB ILE B 43 1.646 -2.505 1.600 1.00 0.00 C ATOM 2004 CG1 ILE B 43 2.731 -1.425 1.583 1.00 0.00 C ATOM 2005 CG2 ILE B 43 1.908 -3.499 0.494 1.00 0.00 C ATOM 2006 CD1 ILE B 43 2.607 -0.347 2.623 1.00 0.00 C ATOM 0 H ILE B 43 0.094 -2.038 3.626 1.00 0.00 H new ATOM 0 HA ILE B 43 0.213 -1.089 0.864 1.00 0.00 H new ATOM 0 HB ILE B 43 1.704 -3.024 2.557 1.00 0.00 H new ATOM 0 HG12 ILE B 43 3.700 -1.910 1.705 1.00 0.00 H new ATOM 0 HG13 ILE B 43 2.732 -0.955 0.600 1.00 0.00 H new ATOM 0 HG21 ILE B 43 2.931 -3.867 0.570 1.00 0.00 H new ATOM 0 HG22 ILE B 43 1.214 -4.335 0.584 1.00 0.00 H new ATOM 0 HG23 ILE B 43 1.768 -3.014 -0.472 1.00 0.00 H new ATOM 0 HD11 ILE B 43 3.429 0.360 2.514 1.00 0.00 H new ATOM 0 HD12 ILE B 43 1.659 0.176 2.494 1.00 0.00 H new ATOM 0 HD13 ILE B 43 2.642 -0.794 3.616 1.00 0.00 H new ATOM 2018 N ILE B 44 -1.427 -2.607 0.023 1.00 0.00 N ATOM 2019 CA ILE B 44 -2.422 -3.445 -0.632 1.00 0.00 C ATOM 2020 C ILE B 44 -1.825 -4.025 -1.912 1.00 0.00 C ATOM 2021 O ILE B 44 -1.629 -3.313 -2.914 1.00 0.00 O ATOM 2022 CB ILE B 44 -3.783 -2.675 -0.943 1.00 0.00 C ATOM 2023 CG1 ILE B 44 -4.654 -2.457 0.324 1.00 0.00 C ATOM 2024 CG2 ILE B 44 -4.615 -3.392 -2.006 1.00 0.00 C ATOM 2025 CD1 ILE B 44 -4.064 -1.584 1.409 1.00 0.00 C ATOM 0 H ILE B 44 -1.279 -1.713 -0.445 1.00 0.00 H new ATOM 0 HA ILE B 44 -2.683 -4.247 0.058 1.00 0.00 H new ATOM 0 HB ILE B 44 -3.480 -1.699 -1.322 1.00 0.00 H new ATOM 0 HG12 ILE B 44 -5.603 -2.020 0.014 1.00 0.00 H new ATOM 0 HG13 ILE B 44 -4.878 -3.433 0.756 1.00 0.00 H new ATOM 0 HG21 ILE B 44 -5.533 -2.833 -2.187 1.00 0.00 H new ATOM 0 HG22 ILE B 44 -4.043 -3.460 -2.931 1.00 0.00 H new ATOM 0 HG23 ILE B 44 -4.863 -4.395 -1.659 1.00 0.00 H new ATOM 0 HD11 ILE B 44 -4.767 -1.509 2.239 1.00 0.00 H new ATOM 0 HD12 ILE B 44 -3.131 -2.023 1.762 1.00 0.00 H new ATOM 0 HD13 ILE B 44 -3.868 -0.589 1.009 1.00 0.00 H new ATOM 2037 N GLU B 45 -1.499 -5.288 -1.868 1.00 0.00 N ATOM 2038 CA GLU B 45 -0.900 -5.956 -2.999 1.00 0.00 C ATOM 2039 C GLU B 45 -1.754 -7.150 -3.433 1.00 0.00 C ATOM 2040 O GLU B 45 -2.022 -8.057 -2.630 1.00 0.00 O ATOM 2041 CB GLU B 45 0.515 -6.411 -2.638 1.00 0.00 C ATOM 2042 CG GLU B 45 1.262 -7.182 -3.706 1.00 0.00 C ATOM 2043 CD GLU B 45 2.679 -7.479 -3.272 1.00 0.00 C ATOM 2044 OE1 GLU B 45 2.880 -7.845 -2.105 1.00 0.00 O ATOM 2045 OE2 GLU B 45 3.608 -7.298 -4.070 1.00 0.00 O ATOM 0 H GLU B 45 -1.639 -5.884 -1.052 1.00 0.00 H new ATOM 0 HA GLU B 45 -0.846 -5.258 -3.834 1.00 0.00 H new ATOM 0 HB2 GLU B 45 1.102 -5.530 -2.377 1.00 0.00 H new ATOM 0 HB3 GLU B 45 0.458 -7.032 -1.744 1.00 0.00 H new ATOM 0 HG2 GLU B 45 0.740 -8.115 -3.917 1.00 0.00 H new ATOM 0 HG3 GLU B 45 1.275 -6.607 -4.632 1.00 0.00 H new ATOM 2052 N PRO B 46 -2.247 -7.115 -4.681 1.00 0.00 N ATOM 2053 CA PRO B 46 -2.968 -8.196 -5.293 1.00 0.00 C ATOM 2054 C PRO B 46 -2.156 -9.455 -5.267 1.00 0.00 C ATOM 2055 O PRO B 46 -0.908 -9.434 -5.287 1.00 0.00 O ATOM 2056 CB PRO B 46 -3.190 -7.754 -6.741 1.00 0.00 C ATOM 2057 CG PRO B 46 -2.423 -6.539 -6.896 1.00 0.00 C ATOM 2058 CD PRO B 46 -2.181 -5.984 -5.533 1.00 0.00 C ATOM 0 HA PRO B 46 -3.902 -8.405 -4.771 1.00 0.00 H new ATOM 0 HB2 PRO B 46 -2.857 -8.520 -7.441 1.00 0.00 H new ATOM 0 HB3 PRO B 46 -4.247 -7.579 -6.940 1.00 0.00 H new ATOM 0 HG2 PRO B 46 -1.478 -6.744 -7.400 1.00 0.00 H new ATOM 0 HG3 PRO B 46 -2.964 -5.820 -7.512 1.00 0.00 H new ATOM 0 HD2 PRO B 46 -1.210 -5.493 -5.469 1.00 0.00 H new ATOM 0 HD3 PRO B 46 -2.932 -5.240 -5.267 1.00 0.00 H new ATOM 2066 N VAL B 47 -2.825 -10.512 -5.223 1.00 0.00 N ATOM 2067 CA VAL B 47 -2.184 -11.793 -5.132 1.00 0.00 C ATOM 2068 C VAL B 47 -2.262 -12.440 -6.479 1.00 0.00 C ATOM 2069 O VAL B 47 -3.360 -12.692 -6.996 1.00 0.00 O ATOM 2070 CB VAL B 47 -2.816 -12.716 -4.054 1.00 0.00 C ATOM 2071 CG1 VAL B 47 -1.996 -13.954 -3.869 1.00 0.00 C ATOM 2072 CG2 VAL B 47 -2.928 -12.012 -2.736 1.00 0.00 C ATOM 0 H VAL B 47 -3.844 -10.547 -5.247 1.00 0.00 H new ATOM 0 HA VAL B 47 -1.150 -11.640 -4.824 1.00 0.00 H new ATOM 0 HB VAL B 47 -3.813 -12.984 -4.404 1.00 0.00 H new ATOM 0 HG11 VAL B 47 -2.457 -14.586 -3.110 1.00 0.00 H new ATOM 0 HG12 VAL B 47 -1.943 -14.499 -4.811 1.00 0.00 H new ATOM 0 HG13 VAL B 47 -0.990 -13.680 -3.551 1.00 0.00 H new ATOM 0 HG21 VAL B 47 -3.374 -12.683 -2.002 1.00 0.00 H new ATOM 0 HG22 VAL B 47 -1.936 -11.712 -2.398 1.00 0.00 H new ATOM 0 HG23 VAL B 47 -3.556 -11.128 -2.848 1.00 0.00 H new