USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 519 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 28 MET CE :methyl 142:sc= -1.06 (180deg=-3!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 165:sc= -2.1! (180deg=-2.53) USER MOD Single : A 33 CYS SG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 133:sc= -2.53 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0874 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -169:sc= -1.93 USER MOD Single : A 53 HIS : no HE2:sc= -1.3 K(o=-1.3,f=-2.4!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.161 K(o=-0.16,f=-0.97) USER MOD Single : A 65 SER OG : rot 180:sc= -0.0371 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.024 USER MOD Single : A 69 MET CE :methyl 154:sc= -5.18! (180deg=-6.94!) USER MOD Single : A 71 GLN : amide:sc= -3.32! K(o=-3.3!,f=-0.84) USER MOD Single : A 75 ASN : amide:sc= -5.9! C(o=-5.9!,f=-3.8!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.101 USER MOD Single : A 79 LYS NZ :NH3+ -112:sc= 1.11 (180deg=-0.0694) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= -0.228 K(o=-0.23,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 288 N PHE A 23 2.846 2.739 -2.039 1.00 0.00 N ATOM 289 CA PHE A 23 2.693 2.752 -0.589 1.00 0.00 C ATOM 290 C PHE A 23 1.370 3.394 -0.185 1.00 0.00 C ATOM 291 O PHE A 23 0.750 2.995 0.801 1.00 0.00 O ATOM 292 CB PHE A 23 3.856 3.503 0.061 1.00 0.00 C ATOM 293 CG PHE A 23 5.184 2.822 -0.112 1.00 0.00 C ATOM 294 CD1 PHE A 23 5.306 1.453 0.075 1.00 0.00 C ATOM 295 CD2 PHE A 23 6.310 3.549 -0.461 1.00 0.00 C ATOM 296 CE1 PHE A 23 6.525 0.824 -0.084 1.00 0.00 C ATOM 297 CE2 PHE A 23 7.533 2.925 -0.621 1.00 0.00 C ATOM 298 CZ PHE A 23 7.641 1.561 -0.432 1.00 0.00 C ATOM 0 HA PHE A 23 2.695 1.719 -0.241 1.00 0.00 H new ATOM 0 HB2 PHE A 23 3.913 4.505 -0.364 1.00 0.00 H new ATOM 0 HB3 PHE A 23 3.653 3.619 1.126 1.00 0.00 H new ATOM 0 HD1 PHE A 23 4.437 0.872 0.348 1.00 0.00 H new ATOM 0 HD2 PHE A 23 6.232 4.616 -0.610 1.00 0.00 H new ATOM 0 HE1 PHE A 23 6.606 -0.243 0.063 1.00 0.00 H new ATOM 0 HE2 PHE A 23 8.403 3.503 -0.894 1.00 0.00 H new ATOM 0 HZ PHE A 23 8.596 1.071 -0.556 1.00 0.00 H new ATOM 308 N LEU A 24 0.944 4.391 -0.952 1.00 0.00 N ATOM 309 CA LEU A 24 -0.305 5.090 -0.672 1.00 0.00 C ATOM 310 C LEU A 24 -1.502 4.163 -0.853 1.00 0.00 C ATOM 311 O LEU A 24 -1.515 3.315 -1.746 1.00 0.00 O ATOM 312 CB LEU A 24 -0.447 6.310 -1.586 1.00 0.00 C ATOM 313 CG LEU A 24 0.465 7.487 -1.239 1.00 0.00 C ATOM 314 CD1 LEU A 24 0.489 8.495 -2.377 1.00 0.00 C ATOM 315 CD2 LEU A 24 0.009 8.150 0.053 1.00 0.00 C ATOM 0 H LEU A 24 1.445 4.733 -1.772 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.281 5.422 0.366 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.244 6.002 -2.612 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.482 6.650 -1.555 1.00 0.00 H new ATOM 0 HG LEU A 24 1.477 7.109 -1.093 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.143 9.326 -2.113 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.861 8.014 -3.282 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.520 8.869 -2.553 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.669 8.986 0.286 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.011 8.515 -0.066 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.042 7.424 0.866 1.00 0.00 H new ATOM 327 N ASP A 25 -2.506 4.329 0.000 1.00 0.00 N ATOM 328 CA ASP A 25 -3.710 3.509 -0.064 1.00 0.00 C ATOM 329 C ASP A 25 -4.614 3.960 -1.210 1.00 0.00 C ATOM 330 O ASP A 25 -4.753 5.156 -1.465 1.00 0.00 O ATOM 331 CB ASP A 25 -4.471 3.583 1.261 1.00 0.00 C ATOM 332 CG ASP A 25 -5.064 2.247 1.665 1.00 0.00 C ATOM 333 OD1 ASP A 25 -6.219 1.969 1.278 1.00 0.00 O ATOM 334 OD2 ASP A 25 -4.374 1.479 2.368 1.00 0.00 O ATOM 0 H ASP A 25 -2.510 5.025 0.745 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.410 2.477 -0.246 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -3.797 3.930 2.044 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -5.269 4.321 1.177 1.00 0.00 H new ATOM 339 N PRO A 26 -5.245 3.007 -1.918 1.00 0.00 N ATOM 340 CA PRO A 26 -6.139 3.322 -3.039 1.00 0.00 C ATOM 341 C PRO A 26 -7.384 4.080 -2.592 1.00 0.00 C ATOM 342 O PRO A 26 -7.975 4.832 -3.365 1.00 0.00 O ATOM 343 CB PRO A 26 -6.522 1.947 -3.595 1.00 0.00 C ATOM 344 CG PRO A 26 -6.299 1.000 -2.466 1.00 0.00 C ATOM 345 CD PRO A 26 -5.142 1.555 -1.686 1.00 0.00 C ATOM 0 HA PRO A 26 -5.657 3.970 -3.770 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -7.561 1.930 -3.925 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -5.909 1.685 -4.457 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -7.189 0.920 -1.841 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -6.077 -0.002 -2.834 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -5.216 1.310 -0.626 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -4.191 1.157 -2.039 1.00 0.00 H new ATOM 353 N ILE A 27 -7.777 3.875 -1.339 1.00 0.00 N ATOM 354 CA ILE A 27 -8.952 4.539 -0.790 1.00 0.00 C ATOM 355 C ILE A 27 -8.557 5.637 0.192 1.00 0.00 C ATOM 356 O ILE A 27 -8.901 6.804 0.005 1.00 0.00 O ATOM 357 CB ILE A 27 -9.881 3.539 -0.075 1.00 0.00 C ATOM 358 CG1 ILE A 27 -10.132 2.319 -0.963 1.00 0.00 C ATOM 359 CG2 ILE A 27 -11.194 4.208 0.301 1.00 0.00 C ATOM 360 CD1 ILE A 27 -10.761 1.155 -0.226 1.00 0.00 C ATOM 0 H ILE A 27 -7.299 3.255 -0.686 1.00 0.00 H new ATOM 0 HA ILE A 27 -9.484 4.982 -1.632 1.00 0.00 H new ATOM 0 HB ILE A 27 -9.393 3.204 0.841 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -10.781 2.609 -1.790 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -9.186 1.995 -1.398 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -11.838 3.488 0.805 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -10.997 5.047 0.968 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -11.689 4.569 -0.600 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -10.910 0.325 -0.917 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -10.104 0.839 0.584 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -11.722 1.462 0.186 1.00 0.00 H new ATOM 372 N MET A 28 -7.833 5.255 1.238 1.00 0.00 N ATOM 373 CA MET A 28 -7.391 6.207 2.251 1.00 0.00 C ATOM 374 C MET A 28 -6.466 7.260 1.649 1.00 0.00 C ATOM 375 O MET A 28 -6.388 8.385 2.141 1.00 0.00 O ATOM 376 CB MET A 28 -6.677 5.477 3.391 1.00 0.00 C ATOM 377 CG MET A 28 -7.623 4.770 4.346 1.00 0.00 C ATOM 378 SD MET A 28 -8.167 5.832 5.698 1.00 0.00 S ATOM 379 CE MET A 28 -9.468 6.764 4.893 1.00 0.00 C ATOM 0 H MET A 28 -7.540 4.293 1.407 1.00 0.00 H new ATOM 0 HA MET A 28 -8.274 6.711 2.646 1.00 0.00 H new ATOM 0 HB2 MET A 28 -5.988 4.746 2.968 1.00 0.00 H new ATOM 0 HB3 MET A 28 -6.077 6.194 3.951 1.00 0.00 H new ATOM 0 HG2 MET A 28 -8.494 4.417 3.794 1.00 0.00 H new ATOM 0 HG3 MET A 28 -7.128 3.890 4.757 1.00 0.00 H new ATOM 0 HE1 MET A 28 -10.290 6.920 5.592 1.00 0.00 H new ATOM 0 HE2 MET A 28 -9.078 7.729 4.570 1.00 0.00 H new ATOM 0 HE3 MET A 28 -9.829 6.211 4.026 1.00 0.00 H new ATOM 389 N SER A 29 -5.766 6.889 0.580 1.00 0.00 N ATOM 390 CA SER A 29 -4.848 7.805 -0.086 1.00 0.00 C ATOM 391 C SER A 29 -3.729 8.238 0.857 1.00 0.00 C ATOM 392 O SER A 29 -3.209 9.349 0.750 1.00 0.00 O ATOM 393 CB SER A 29 -5.601 9.034 -0.599 1.00 0.00 C ATOM 394 OG SER A 29 -6.799 8.661 -1.258 1.00 0.00 O ATOM 0 H SER A 29 -5.818 5.962 0.158 1.00 0.00 H new ATOM 0 HA SER A 29 -4.404 7.280 -0.932 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.832 9.697 0.235 1.00 0.00 H new ATOM 0 HB3 SER A 29 -4.965 9.594 -1.284 1.00 0.00 H new ATOM 0 HG SER A 29 -7.262 9.465 -1.575 1.00 0.00 H new ATOM 400 N THR A 30 -3.364 7.354 1.780 1.00 0.00 N ATOM 401 CA THR A 30 -2.307 7.647 2.742 1.00 0.00 C ATOM 402 C THR A 30 -1.327 6.482 2.845 1.00 0.00 C ATOM 403 O THR A 30 -1.522 5.437 2.222 1.00 0.00 O ATOM 404 CB THR A 30 -2.907 7.947 4.116 1.00 0.00 C ATOM 405 OG1 THR A 30 -3.479 6.780 4.679 1.00 0.00 O ATOM 406 CG2 THR A 30 -3.980 9.015 4.080 1.00 0.00 C ATOM 0 H THR A 30 -3.784 6.430 1.882 1.00 0.00 H new ATOM 0 HA THR A 30 -1.764 8.525 2.391 1.00 0.00 H new ATOM 0 HB THR A 30 -2.077 8.310 4.721 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.856 6.992 5.558 1.00 0.00 H new ATOM 0 HG21 THR A 30 -4.364 9.179 5.087 1.00 0.00 H new ATOM 0 HG22 THR A 30 -3.557 9.943 3.697 1.00 0.00 H new ATOM 0 HG23 THR A 30 -4.793 8.692 3.430 1.00 0.00 H new ATOM 414 N LEU A 31 -0.274 6.669 3.635 1.00 0.00 N ATOM 415 CA LEU A 31 0.735 5.633 3.820 1.00 0.00 C ATOM 416 C LEU A 31 0.114 4.360 4.386 1.00 0.00 C ATOM 417 O LEU A 31 -0.814 4.417 5.193 1.00 0.00 O ATOM 418 CB LEU A 31 1.842 6.132 4.752 1.00 0.00 C ATOM 419 CG LEU A 31 3.186 5.416 4.604 1.00 0.00 C ATOM 420 CD1 LEU A 31 3.822 5.747 3.263 1.00 0.00 C ATOM 421 CD2 LEU A 31 4.118 5.792 5.746 1.00 0.00 C ATOM 0 H LEU A 31 -0.098 7.528 4.157 1.00 0.00 H new ATOM 0 HA LEU A 31 1.165 5.402 2.845 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.993 7.197 4.574 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.503 6.026 5.783 1.00 0.00 H new ATOM 0 HG LEU A 31 3.010 4.341 4.644 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.777 5.229 3.175 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.161 5.427 2.458 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.985 6.822 3.193 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.069 5.274 5.625 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.288 6.869 5.738 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.666 5.503 6.695 1.00 0.00 H new ATOM 433 N MET A 32 0.631 3.214 3.957 1.00 0.00 N ATOM 434 CA MET A 32 0.127 1.925 4.420 1.00 0.00 C ATOM 435 C MET A 32 1.162 1.214 5.286 1.00 0.00 C ATOM 436 O MET A 32 2.312 1.044 4.883 1.00 0.00 O ATOM 437 CB MET A 32 -0.249 1.044 3.227 1.00 0.00 C ATOM 438 CG MET A 32 -1.426 1.575 2.424 1.00 0.00 C ATOM 439 SD MET A 32 -1.943 0.444 1.118 1.00 0.00 S ATOM 440 CE MET A 32 -0.432 0.312 0.166 1.00 0.00 C ATOM 0 H MET A 32 1.399 3.151 3.289 1.00 0.00 H new ATOM 0 HA MET A 32 -0.762 2.106 5.024 1.00 0.00 H new ATOM 0 HB2 MET A 32 0.615 0.949 2.570 1.00 0.00 H new ATOM 0 HB3 MET A 32 -0.487 0.043 3.586 1.00 0.00 H new ATOM 0 HG2 MET A 32 -2.266 1.757 3.095 1.00 0.00 H new ATOM 0 HG3 MET A 32 -1.156 2.534 1.983 1.00 0.00 H new ATOM 0 HE1 MET A 32 -0.500 -0.541 -0.509 1.00 0.00 H new ATOM 0 HE2 MET A 32 -0.287 1.223 -0.415 1.00 0.00 H new ATOM 0 HE3 MET A 32 0.413 0.174 0.841 1.00 0.00 H new ATOM 450 N CYS A 33 0.743 0.798 6.476 1.00 0.00 N ATOM 451 CA CYS A 33 1.632 0.103 7.399 1.00 0.00 C ATOM 452 C CYS A 33 1.470 -1.408 7.272 1.00 0.00 C ATOM 453 O CYS A 33 2.454 -2.140 7.156 1.00 0.00 O ATOM 454 CB CYS A 33 1.351 0.540 8.838 1.00 0.00 C ATOM 455 SG CYS A 33 2.337 1.952 9.387 1.00 0.00 S ATOM 0 H CYS A 33 -0.207 0.930 6.824 1.00 0.00 H new ATOM 0 HA CYS A 33 2.659 0.364 7.143 1.00 0.00 H new ATOM 0 HB2 CYS A 33 0.294 0.791 8.930 1.00 0.00 H new ATOM 0 HB3 CYS A 33 1.538 -0.302 9.505 1.00 0.00 H new ATOM 0 HG CYS A 33 2.026 2.247 10.614 1.00 0.00 H new ATOM 461 N ASP A 34 0.224 -1.867 7.293 1.00 0.00 N ATOM 462 CA ASP A 34 -0.069 -3.292 7.178 1.00 0.00 C ATOM 463 C ASP A 34 -1.013 -3.559 6.008 1.00 0.00 C ATOM 464 O ASP A 34 -2.194 -3.849 6.205 1.00 0.00 O ATOM 465 CB ASP A 34 -0.684 -3.815 8.478 1.00 0.00 C ATOM 466 CG ASP A 34 0.346 -3.994 9.575 1.00 0.00 C ATOM 467 OD1 ASP A 34 0.635 -3.007 10.284 1.00 0.00 O ATOM 468 OD2 ASP A 34 0.864 -5.121 9.725 1.00 0.00 O ATOM 0 H ASP A 34 -0.600 -1.274 7.389 1.00 0.00 H new ATOM 0 HA ASP A 34 0.868 -3.818 6.993 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -1.454 -3.122 8.817 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -1.175 -4.769 8.286 1.00 0.00 H new ATOM 473 N PRO A 35 -0.503 -3.463 4.769 1.00 0.00 N ATOM 474 CA PRO A 35 -1.306 -3.695 3.563 1.00 0.00 C ATOM 475 C PRO A 35 -1.697 -5.159 3.399 1.00 0.00 C ATOM 476 O PRO A 35 -0.839 -6.027 3.235 1.00 0.00 O ATOM 477 CB PRO A 35 -0.376 -3.259 2.428 1.00 0.00 C ATOM 478 CG PRO A 35 0.997 -3.429 2.978 1.00 0.00 C ATOM 479 CD PRO A 35 0.895 -3.121 4.446 1.00 0.00 C ATOM 0 HA PRO A 35 -2.250 -3.151 3.592 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -0.524 -3.870 1.538 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -0.562 -2.224 2.139 1.00 0.00 H new ATOM 0 HG2 PRO A 35 1.359 -4.444 2.816 1.00 0.00 H new ATOM 0 HG3 PRO A 35 1.701 -2.757 2.486 1.00 0.00 H new ATOM 0 HD2 PRO A 35 1.599 -3.713 5.031 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.111 -2.073 4.653 1.00 0.00 H new ATOM 487 N VAL A 36 -2.998 -5.426 3.442 1.00 0.00 N ATOM 488 CA VAL A 36 -3.504 -6.786 3.296 1.00 0.00 C ATOM 489 C VAL A 36 -3.912 -7.066 1.854 1.00 0.00 C ATOM 490 O VAL A 36 -4.610 -6.267 1.229 1.00 0.00 O ATOM 491 CB VAL A 36 -4.712 -7.039 4.219 1.00 0.00 C ATOM 492 CG1 VAL A 36 -4.269 -7.113 5.671 1.00 0.00 C ATOM 493 CG2 VAL A 36 -5.765 -5.958 4.028 1.00 0.00 C ATOM 0 H VAL A 36 -3.721 -4.719 3.577 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.694 -7.458 3.580 1.00 0.00 H new ATOM 0 HB VAL A 36 -5.156 -7.998 3.951 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -5.136 -7.292 6.307 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -3.555 -7.928 5.793 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -3.798 -6.172 5.956 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -6.610 -6.153 4.688 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -5.335 -4.985 4.267 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -6.105 -5.960 2.992 1.00 0.00 H new ATOM 503 N VAL A 37 -3.474 -8.207 1.330 1.00 0.00 N ATOM 504 CA VAL A 37 -3.795 -8.592 -0.038 1.00 0.00 C ATOM 505 C VAL A 37 -5.177 -9.229 -0.121 1.00 0.00 C ATOM 506 O VAL A 37 -5.444 -10.243 0.522 1.00 0.00 O ATOM 507 CB VAL A 37 -2.755 -9.578 -0.603 1.00 0.00 C ATOM 508 CG1 VAL A 37 -2.983 -9.800 -2.091 1.00 0.00 C ATOM 509 CG2 VAL A 37 -1.344 -9.075 -0.341 1.00 0.00 C ATOM 0 H VAL A 37 -2.896 -8.880 1.833 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.782 -7.679 -0.633 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.874 -10.535 -0.094 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.239 -10.499 -2.473 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.981 -10.210 -2.249 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.893 -8.850 -2.619 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.623 -9.785 -0.747 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.208 -8.106 -0.821 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.187 -8.974 0.733 1.00 0.00 H new ATOM 519 N LEU A 38 -6.053 -8.626 -0.919 1.00 0.00 N ATOM 520 CA LEU A 38 -7.409 -9.136 -1.089 1.00 0.00 C ATOM 521 C LEU A 38 -7.427 -10.321 -2.055 1.00 0.00 C ATOM 522 O LEU A 38 -6.992 -10.200 -3.199 1.00 0.00 O ATOM 523 CB LEU A 38 -8.331 -8.029 -1.603 1.00 0.00 C ATOM 524 CG LEU A 38 -8.406 -6.785 -0.714 1.00 0.00 C ATOM 525 CD1 LEU A 38 -8.938 -5.598 -1.501 1.00 0.00 C ATOM 526 CD2 LEU A 38 -9.277 -7.053 0.505 1.00 0.00 C ATOM 0 H LEU A 38 -5.848 -7.784 -1.458 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.768 -9.476 -0.118 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.995 -7.728 -2.595 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -9.335 -8.437 -1.717 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.399 -6.545 -0.371 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -8.984 -4.723 -0.853 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.275 -5.392 -2.342 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -9.936 -5.827 -1.874 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.319 -6.158 1.126 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -10.284 -7.318 0.182 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -8.853 -7.875 1.082 1.00 0.00 H new ATOM 538 N PRO A 39 -7.927 -11.487 -1.607 1.00 0.00 N ATOM 539 CA PRO A 39 -7.988 -12.690 -2.447 1.00 0.00 C ATOM 540 C PRO A 39 -9.007 -12.572 -3.578 1.00 0.00 C ATOM 541 O PRO A 39 -9.059 -13.423 -4.466 1.00 0.00 O ATOM 542 CB PRO A 39 -8.409 -13.788 -1.466 1.00 0.00 C ATOM 543 CG PRO A 39 -9.135 -13.068 -0.382 1.00 0.00 C ATOM 544 CD PRO A 39 -8.465 -11.730 -0.255 1.00 0.00 C ATOM 0 HA PRO A 39 -7.037 -12.879 -2.945 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -9.049 -14.526 -1.949 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -7.544 -14.323 -1.075 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -10.191 -12.954 -0.628 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -9.084 -13.621 0.556 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -9.170 -10.954 0.042 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -7.674 -11.746 0.495 1.00 0.00 H new ATOM 552 N SER A 40 -9.819 -11.519 -3.543 1.00 0.00 N ATOM 553 CA SER A 40 -10.833 -11.305 -4.570 1.00 0.00 C ATOM 554 C SER A 40 -10.458 -10.140 -5.483 1.00 0.00 C ATOM 555 O SER A 40 -9.973 -10.343 -6.595 1.00 0.00 O ATOM 556 CB SER A 40 -12.196 -11.047 -3.923 1.00 0.00 C ATOM 557 OG SER A 40 -12.934 -12.249 -3.789 1.00 0.00 O ATOM 0 H SER A 40 -9.795 -10.803 -2.817 1.00 0.00 H new ATOM 0 HA SER A 40 -10.891 -12.208 -5.178 1.00 0.00 H new ATOM 0 HB2 SER A 40 -12.056 -10.592 -2.943 1.00 0.00 H new ATOM 0 HB3 SER A 40 -12.760 -10.336 -4.527 1.00 0.00 H new ATOM 0 HG SER A 40 -13.800 -12.057 -3.372 1.00 0.00 H new ATOM 563 N SER A 41 -10.692 -8.921 -5.007 1.00 0.00 N ATOM 564 CA SER A 41 -10.385 -7.724 -5.782 1.00 0.00 C ATOM 565 C SER A 41 -8.902 -7.661 -6.143 1.00 0.00 C ATOM 566 O SER A 41 -8.517 -6.985 -7.097 1.00 0.00 O ATOM 567 CB SER A 41 -10.784 -6.470 -5.003 1.00 0.00 C ATOM 568 OG SER A 41 -9.789 -6.118 -4.058 1.00 0.00 O ATOM 0 H SER A 41 -11.093 -8.736 -4.088 1.00 0.00 H new ATOM 0 HA SER A 41 -10.959 -7.771 -6.707 1.00 0.00 H new ATOM 0 HB2 SER A 41 -10.941 -5.643 -5.695 1.00 0.00 H new ATOM 0 HB3 SER A 41 -11.731 -6.642 -4.491 1.00 0.00 H new ATOM 0 HG SER A 41 -9.601 -5.158 -4.123 1.00 0.00 H new ATOM 574 N ARG A 42 -8.074 -8.362 -5.375 1.00 0.00 N ATOM 575 CA ARG A 42 -6.636 -8.378 -5.619 1.00 0.00 C ATOM 576 C ARG A 42 -6.047 -6.978 -5.488 1.00 0.00 C ATOM 577 O ARG A 42 -5.069 -6.640 -6.154 1.00 0.00 O ATOM 578 CB ARG A 42 -6.336 -8.943 -7.009 1.00 0.00 C ATOM 579 CG ARG A 42 -6.443 -10.458 -7.086 1.00 0.00 C ATOM 580 CD ARG A 42 -7.463 -10.897 -8.125 1.00 0.00 C ATOM 581 NE ARG A 42 -8.255 -12.034 -7.666 1.00 0.00 N ATOM 582 CZ ARG A 42 -8.936 -12.840 -8.477 1.00 0.00 C ATOM 583 NH1 ARG A 42 -8.927 -12.636 -9.790 1.00 0.00 N ATOM 584 NH2 ARG A 42 -9.629 -13.853 -7.976 1.00 0.00 N ATOM 0 H ARG A 42 -8.374 -8.926 -4.579 1.00 0.00 H new ATOM 0 HA ARG A 42 -6.174 -9.019 -4.869 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.026 -8.501 -7.728 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -5.331 -8.642 -7.305 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -5.468 -10.880 -7.332 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -6.724 -10.853 -6.110 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -8.126 -10.063 -8.357 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -6.949 -11.162 -9.049 1.00 0.00 H new ATOM 0 HE ARG A 42 -8.288 -12.222 -6.664 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -8.396 -11.858 -10.182 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -9.451 -13.257 -10.406 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -9.640 -14.015 -6.969 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -10.151 -14.471 -8.598 1.00 0.00 H new ATOM 598 N VAL A 43 -6.648 -6.168 -4.621 1.00 0.00 N ATOM 599 CA VAL A 43 -6.182 -4.804 -4.400 1.00 0.00 C ATOM 600 C VAL A 43 -5.631 -4.636 -2.989 1.00 0.00 C ATOM 601 O VAL A 43 -6.387 -4.557 -2.021 1.00 0.00 O ATOM 602 CB VAL A 43 -7.312 -3.782 -4.623 1.00 0.00 C ATOM 603 CG1 VAL A 43 -6.765 -2.363 -4.584 1.00 0.00 C ATOM 604 CG2 VAL A 43 -8.023 -4.050 -5.941 1.00 0.00 C ATOM 0 H VAL A 43 -7.458 -6.433 -4.061 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.387 -4.619 -5.123 1.00 0.00 H new ATOM 0 HB VAL A 43 -8.037 -3.890 -3.817 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -7.578 -1.655 -4.744 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.307 -2.176 -3.613 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -6.018 -2.240 -5.368 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -8.818 -3.318 -6.081 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.310 -3.972 -6.762 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.451 -5.052 -5.926 1.00 0.00 H new ATOM 614 N THR A 44 -4.307 -4.582 -2.879 1.00 0.00 N ATOM 615 CA THR A 44 -3.653 -4.423 -1.585 1.00 0.00 C ATOM 616 C THR A 44 -4.108 -3.140 -0.896 1.00 0.00 C ATOM 617 O THR A 44 -3.981 -2.048 -1.451 1.00 0.00 O ATOM 618 CB THR A 44 -2.133 -4.414 -1.755 1.00 0.00 C ATOM 619 OG1 THR A 44 -1.762 -5.012 -2.985 1.00 0.00 O ATOM 620 CG2 THR A 44 -1.403 -5.147 -0.651 1.00 0.00 C ATOM 0 H THR A 44 -3.666 -4.646 -3.670 1.00 0.00 H new ATOM 0 HA THR A 44 -3.936 -5.269 -0.958 1.00 0.00 H new ATOM 0 HB THR A 44 -1.846 -3.363 -1.724 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.786 -4.995 -3.076 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.329 -5.102 -0.833 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.629 -4.679 0.307 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.725 -6.188 -0.631 1.00 0.00 H new ATOM 628 N VAL A 45 -4.636 -3.280 0.315 1.00 0.00 N ATOM 629 CA VAL A 45 -5.108 -2.132 1.080 1.00 0.00 C ATOM 630 C VAL A 45 -4.822 -2.308 2.566 1.00 0.00 C ATOM 631 O VAL A 45 -4.595 -3.423 3.037 1.00 0.00 O ATOM 632 CB VAL A 45 -6.621 -1.910 0.882 1.00 0.00 C ATOM 633 CG1 VAL A 45 -6.921 -1.530 -0.559 1.00 0.00 C ATOM 634 CG2 VAL A 45 -7.400 -3.151 1.289 1.00 0.00 C ATOM 0 H VAL A 45 -4.748 -4.177 0.788 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.568 -1.260 0.710 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.936 -1.086 1.522 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.994 -1.377 -0.679 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.393 -0.610 -0.810 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.592 -2.330 -1.222 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.466 -2.976 1.143 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.084 -3.996 0.677 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.210 -3.372 2.339 1.00 0.00 H new ATOM 644 N ASP A 46 -4.832 -1.201 3.302 1.00 0.00 N ATOM 645 CA ASP A 46 -4.573 -1.234 4.737 1.00 0.00 C ATOM 646 C ASP A 46 -5.579 -2.130 5.453 1.00 0.00 C ATOM 647 O ASP A 46 -6.751 -2.186 5.080 1.00 0.00 O ATOM 648 CB ASP A 46 -4.624 0.182 5.317 1.00 0.00 C ATOM 649 CG ASP A 46 -3.251 0.701 5.694 1.00 0.00 C ATOM 650 OD1 ASP A 46 -2.284 0.408 4.961 1.00 0.00 O ATOM 651 OD2 ASP A 46 -3.143 1.403 6.722 1.00 0.00 O ATOM 0 H ASP A 46 -5.017 -0.270 2.928 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.576 -1.647 4.892 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.076 0.854 4.588 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -5.266 0.188 6.198 1.00 0.00 H new ATOM 656 N ARG A 47 -5.112 -2.829 6.483 1.00 0.00 N ATOM 657 CA ARG A 47 -5.971 -3.723 7.253 1.00 0.00 C ATOM 658 C ARG A 47 -7.145 -2.962 7.861 1.00 0.00 C ATOM 659 O ARG A 47 -8.227 -3.518 8.049 1.00 0.00 O ATOM 660 CB ARG A 47 -5.166 -4.410 8.357 1.00 0.00 C ATOM 661 CG ARG A 47 -5.573 -5.855 8.599 1.00 0.00 C ATOM 662 CD ARG A 47 -6.508 -5.983 9.792 1.00 0.00 C ATOM 663 NE ARG A 47 -5.928 -6.798 10.856 1.00 0.00 N ATOM 664 CZ ARG A 47 -5.774 -8.119 10.779 1.00 0.00 C ATOM 665 NH1 ARG A 47 -6.155 -8.776 9.691 1.00 0.00 N ATOM 666 NH2 ARG A 47 -5.239 -8.783 11.794 1.00 0.00 N ATOM 0 H ARG A 47 -4.144 -2.794 6.804 1.00 0.00 H new ATOM 0 HA ARG A 47 -6.366 -4.480 6.575 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -4.108 -4.378 8.097 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -5.283 -3.848 9.284 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -6.063 -6.249 7.709 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -4.683 -6.461 8.768 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -6.739 -4.991 10.180 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -7.450 -6.426 9.469 1.00 0.00 H new ATOM 0 HE ARG A 47 -5.623 -6.328 11.708 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -6.568 -8.270 8.908 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -6.035 -9.787 9.638 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -4.946 -8.282 12.633 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -5.121 -9.794 11.736 1.00 0.00 H new ATOM 680 N SER A 48 -6.923 -1.688 8.167 1.00 0.00 N ATOM 681 CA SER A 48 -7.963 -0.850 8.754 1.00 0.00 C ATOM 682 C SER A 48 -8.895 -0.308 7.676 1.00 0.00 C ATOM 683 O SER A 48 -10.085 -0.099 7.918 1.00 0.00 O ATOM 684 CB SER A 48 -7.333 0.305 9.537 1.00 0.00 C ATOM 685 OG SER A 48 -7.642 0.214 10.917 1.00 0.00 O ATOM 0 H SER A 48 -6.033 -1.213 8.018 1.00 0.00 H new ATOM 0 HA SER A 48 -8.550 -1.463 9.438 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.251 0.293 9.402 1.00 0.00 H new ATOM 0 HB3 SER A 48 -7.693 1.255 9.142 1.00 0.00 H new ATOM 0 HG SER A 48 -7.227 0.962 11.395 1.00 0.00 H new ATOM 691 N THR A 49 -8.349 -0.080 6.487 1.00 0.00 N ATOM 692 CA THR A 49 -9.132 0.438 5.371 1.00 0.00 C ATOM 693 C THR A 49 -10.162 -0.587 4.908 1.00 0.00 C ATOM 694 O THR A 49 -11.267 -0.231 4.498 1.00 0.00 O ATOM 695 CB THR A 49 -8.215 0.819 4.208 1.00 0.00 C ATOM 696 OG1 THR A 49 -7.172 1.670 4.650 1.00 0.00 O ATOM 697 CG2 THR A 49 -8.938 1.525 3.082 1.00 0.00 C ATOM 0 H THR A 49 -7.366 -0.246 6.271 1.00 0.00 H new ATOM 0 HA THR A 49 -9.660 1.328 5.713 1.00 0.00 H new ATOM 0 HB THR A 49 -7.821 -0.124 3.830 1.00 0.00 H new ATOM 0 HG1 THR A 49 -6.702 2.041 3.874 1.00 0.00 H new ATOM 0 HG21 THR A 49 -8.229 1.767 2.290 1.00 0.00 H new ATOM 0 HG22 THR A 49 -9.717 0.874 2.685 1.00 0.00 H new ATOM 0 HG23 THR A 49 -9.389 2.443 3.458 1.00 0.00 H new ATOM 705 N ILE A 50 -9.791 -1.861 4.977 1.00 0.00 N ATOM 706 CA ILE A 50 -10.682 -2.939 4.565 1.00 0.00 C ATOM 707 C ILE A 50 -11.601 -3.357 5.709 1.00 0.00 C ATOM 708 O ILE A 50 -12.743 -3.759 5.485 1.00 0.00 O ATOM 709 CB ILE A 50 -9.888 -4.167 4.075 1.00 0.00 C ATOM 710 CG1 ILE A 50 -10.838 -5.241 3.541 1.00 0.00 C ATOM 711 CG2 ILE A 50 -9.023 -4.727 5.196 1.00 0.00 C ATOM 712 CD1 ILE A 50 -11.576 -4.825 2.287 1.00 0.00 C ATOM 0 H ILE A 50 -8.880 -2.172 5.314 1.00 0.00 H new ATOM 0 HA ILE A 50 -11.286 -2.558 3.741 1.00 0.00 H new ATOM 0 HB ILE A 50 -9.234 -3.852 3.262 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -10.269 -6.148 3.334 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -11.564 -5.490 4.315 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -8.470 -5.593 4.831 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -8.321 -3.963 5.530 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -9.657 -5.027 6.030 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -12.231 -5.634 1.965 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -12.172 -3.936 2.494 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -10.857 -4.604 1.498 1.00 0.00 H new ATOM 724 N ALA A 51 -11.095 -3.258 6.934 1.00 0.00 N ATOM 725 CA ALA A 51 -11.871 -3.625 8.113 1.00 0.00 C ATOM 726 C ALA A 51 -13.141 -2.786 8.216 1.00 0.00 C ATOM 727 O ALA A 51 -14.207 -3.296 8.558 1.00 0.00 O ATOM 728 CB ALA A 51 -11.028 -3.466 9.369 1.00 0.00 C ATOM 0 H ALA A 51 -10.152 -2.927 7.136 1.00 0.00 H new ATOM 0 HA ALA A 51 -12.164 -4.670 8.015 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -11.619 -3.743 10.242 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -10.153 -4.112 9.304 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -10.707 -2.429 9.463 1.00 0.00 H new ATOM 734 N ARG A 52 -13.018 -1.497 7.915 1.00 0.00 N ATOM 735 CA ARG A 52 -14.157 -0.588 7.972 1.00 0.00 C ATOM 736 C ARG A 52 -15.223 -0.991 6.959 1.00 0.00 C ATOM 737 O ARG A 52 -16.419 -0.863 7.218 1.00 0.00 O ATOM 738 CB ARG A 52 -13.702 0.848 7.710 1.00 0.00 C ATOM 739 CG ARG A 52 -14.762 1.890 8.030 1.00 0.00 C ATOM 740 CD ARG A 52 -14.139 3.217 8.435 1.00 0.00 C ATOM 741 NE ARG A 52 -14.655 3.694 9.716 1.00 0.00 N ATOM 742 CZ ARG A 52 -14.258 3.225 10.897 1.00 0.00 C ATOM 743 NH1 ARG A 52 -13.343 2.266 10.964 1.00 0.00 N ATOM 744 NH2 ARG A 52 -14.779 3.714 12.014 1.00 0.00 N ATOM 0 H ARG A 52 -12.142 -1.059 7.630 1.00 0.00 H new ATOM 0 HA ARG A 52 -14.590 -0.647 8.971 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -12.812 1.053 8.305 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -13.414 0.944 6.663 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -15.402 2.038 7.160 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -15.399 1.526 8.836 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -13.057 3.105 8.499 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -14.338 3.961 7.664 1.00 0.00 H new ATOM 0 HE ARG A 52 -15.361 4.430 9.705 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -12.940 1.885 10.108 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -13.042 1.910 11.872 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -15.484 4.450 11.968 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -14.475 3.354 12.919 1.00 0.00 H new ATOM 758 N HIS A 53 -14.780 -1.480 5.805 1.00 0.00 N ATOM 759 CA HIS A 53 -15.695 -1.903 4.752 1.00 0.00 C ATOM 760 C HIS A 53 -16.293 -3.272 5.064 1.00 0.00 C ATOM 761 O HIS A 53 -17.365 -3.618 4.566 1.00 0.00 O ATOM 762 CB HIS A 53 -14.970 -1.947 3.406 1.00 0.00 C ATOM 763 CG HIS A 53 -15.895 -1.991 2.230 1.00 0.00 C ATOM 764 ND1 HIS A 53 -16.812 -1.005 1.937 1.00 0.00 N ATOM 765 CD2 HIS A 53 -16.034 -2.931 1.261 1.00 0.00 C ATOM 766 CE1 HIS A 53 -17.465 -1.370 0.825 1.00 0.00 C ATOM 767 NE2 HIS A 53 -17.031 -2.530 0.375 1.00 0.00 N ATOM 0 H HIS A 53 -13.793 -1.593 5.576 1.00 0.00 H new ATOM 0 HA HIS A 53 -16.506 -1.177 4.699 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -14.327 -1.071 3.320 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -14.321 -2.822 3.380 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -16.966 -0.150 2.471 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -15.463 -3.845 1.188 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -18.246 -0.788 0.358 1.00 0.00 H new ATOM 775 N LEU A 54 -15.597 -4.047 5.891 1.00 0.00 N ATOM 776 CA LEU A 54 -16.065 -5.377 6.266 1.00 0.00 C ATOM 777 C LEU A 54 -16.796 -5.342 7.605 1.00 0.00 C ATOM 778 O LEU A 54 -16.748 -6.302 8.373 1.00 0.00 O ATOM 779 CB LEU A 54 -14.887 -6.351 6.340 1.00 0.00 C ATOM 780 CG LEU A 54 -14.139 -6.564 5.024 1.00 0.00 C ATOM 781 CD1 LEU A 54 -13.011 -7.568 5.208 1.00 0.00 C ATOM 782 CD2 LEU A 54 -15.096 -7.027 3.936 1.00 0.00 C ATOM 0 H LEU A 54 -14.709 -3.777 6.313 1.00 0.00 H new ATOM 0 HA LEU A 54 -16.764 -5.718 5.502 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -14.181 -5.987 7.087 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -15.254 -7.315 6.692 1.00 0.00 H new ATOM 0 HG LEU A 54 -13.704 -5.613 4.717 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -12.490 -7.707 4.261 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -12.311 -7.196 5.956 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -13.423 -8.521 5.539 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -14.546 -7.174 3.006 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -15.560 -7.967 4.235 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -15.868 -6.273 3.786 1.00 0.00 H new ATOM 794 N LEU A 55 -17.472 -4.230 7.877 1.00 0.00 N ATOM 795 CA LEU A 55 -18.213 -4.073 9.123 1.00 0.00 C ATOM 796 C LEU A 55 -19.655 -4.545 8.959 1.00 0.00 C ATOM 797 O LEU A 55 -20.079 -5.511 9.593 1.00 0.00 O ATOM 798 CB LEU A 55 -18.192 -2.612 9.573 1.00 0.00 C ATOM 799 CG LEU A 55 -16.827 -2.095 10.031 1.00 0.00 C ATOM 800 CD1 LEU A 55 -16.866 -0.589 10.238 1.00 0.00 C ATOM 801 CD2 LEU A 55 -16.392 -2.799 11.307 1.00 0.00 C ATOM 0 H LEU A 55 -17.522 -3.425 7.252 1.00 0.00 H new ATOM 0 HA LEU A 55 -17.731 -4.687 9.884 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -18.542 -1.989 8.750 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -18.903 -2.489 10.390 1.00 0.00 H new ATOM 0 HG LEU A 55 -16.098 -2.314 9.251 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -15.886 -0.241 10.564 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -17.132 -0.100 9.301 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -17.608 -0.345 10.998 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -15.419 -2.419 11.619 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -17.123 -2.612 12.093 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -16.321 -3.871 11.125 1.00 0.00 H new ATOM 813 N SER A 56 -20.403 -3.856 8.103 1.00 0.00 N ATOM 814 CA SER A 56 -21.797 -4.205 7.855 1.00 0.00 C ATOM 815 C SER A 56 -21.923 -5.088 6.618 1.00 0.00 C ATOM 816 O SER A 56 -22.774 -5.977 6.561 1.00 0.00 O ATOM 817 CB SER A 56 -22.639 -2.939 7.679 1.00 0.00 C ATOM 818 OG SER A 56 -22.787 -2.250 8.909 1.00 0.00 O ATOM 0 H SER A 56 -20.067 -3.054 7.570 1.00 0.00 H new ATOM 0 HA SER A 56 -22.166 -4.761 8.717 1.00 0.00 H new ATOM 0 HB2 SER A 56 -22.168 -2.284 6.946 1.00 0.00 H new ATOM 0 HB3 SER A 56 -23.621 -3.203 7.286 1.00 0.00 H new ATOM 0 HG SER A 56 -23.327 -1.444 8.770 1.00 0.00 H new ATOM 824 N ASP A 57 -21.071 -4.840 5.629 1.00 0.00 N ATOM 825 CA ASP A 57 -21.086 -5.612 4.392 1.00 0.00 C ATOM 826 C ASP A 57 -19.753 -6.323 4.180 1.00 0.00 C ATOM 827 O ASP A 57 -18.814 -5.751 3.626 1.00 0.00 O ATOM 828 CB ASP A 57 -21.386 -4.702 3.200 1.00 0.00 C ATOM 829 CG ASP A 57 -22.582 -3.802 3.447 1.00 0.00 C ATOM 830 OD1 ASP A 57 -23.701 -4.332 3.606 1.00 0.00 O ATOM 831 OD2 ASP A 57 -22.398 -2.567 3.481 1.00 0.00 O ATOM 0 H ASP A 57 -20.360 -4.109 5.660 1.00 0.00 H new ATOM 0 HA ASP A 57 -21.871 -6.364 4.472 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -20.511 -4.088 2.985 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -21.571 -5.313 2.317 1.00 0.00 H new ATOM 836 N GLN A 58 -19.678 -7.573 4.624 1.00 0.00 N ATOM 837 CA GLN A 58 -18.460 -8.363 4.482 1.00 0.00 C ATOM 838 C GLN A 58 -18.170 -8.655 3.014 1.00 0.00 C ATOM 839 O GLN A 58 -18.415 -9.761 2.530 1.00 0.00 O ATOM 840 CB GLN A 58 -18.583 -9.673 5.263 1.00 0.00 C ATOM 841 CG GLN A 58 -17.976 -9.609 6.656 1.00 0.00 C ATOM 842 CD GLN A 58 -18.976 -9.945 7.746 1.00 0.00 C ATOM 843 OE1 GLN A 58 -19.640 -10.982 7.697 1.00 0.00 O ATOM 844 NE2 GLN A 58 -19.089 -9.069 8.736 1.00 0.00 N ATOM 0 H GLN A 58 -20.446 -8.061 5.085 1.00 0.00 H new ATOM 0 HA GLN A 58 -17.631 -7.784 4.888 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -19.637 -9.939 5.347 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -18.097 -10.469 4.700 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -17.136 -10.301 6.714 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -17.578 -8.609 6.829 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -18.519 -8.223 8.736 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -19.746 -9.241 9.497 1.00 0.00 H new ATOM 853 N THR A 59 -17.646 -7.658 2.309 1.00 0.00 N ATOM 854 CA THR A 59 -17.322 -7.808 0.894 1.00 0.00 C ATOM 855 C THR A 59 -16.197 -6.860 0.491 1.00 0.00 C ATOM 856 O THR A 59 -15.719 -6.068 1.302 1.00 0.00 O ATOM 857 CB THR A 59 -18.559 -7.543 0.036 1.00 0.00 C ATOM 858 OG1 THR A 59 -19.296 -6.446 0.543 1.00 0.00 O ATOM 859 CG2 THR A 59 -19.496 -8.729 -0.045 1.00 0.00 C ATOM 0 H THR A 59 -17.436 -6.737 2.694 1.00 0.00 H new ATOM 0 HA THR A 59 -16.987 -8.832 0.730 1.00 0.00 H new ATOM 0 HB THR A 59 -18.178 -7.333 -0.963 1.00 0.00 H new ATOM 0 HG1 THR A 59 -20.083 -6.292 -0.021 1.00 0.00 H new ATOM 0 HG21 THR A 59 -20.353 -8.474 -0.669 1.00 0.00 H new ATOM 0 HG22 THR A 59 -18.970 -9.579 -0.481 1.00 0.00 H new ATOM 0 HG23 THR A 59 -19.840 -8.990 0.956 1.00 0.00 H new ATOM 867 N ASP A 60 -15.777 -6.949 -0.767 1.00 0.00 N ATOM 868 CA ASP A 60 -14.708 -6.099 -1.277 1.00 0.00 C ATOM 869 C ASP A 60 -15.265 -4.766 -1.775 1.00 0.00 C ATOM 870 O ASP A 60 -16.334 -4.721 -2.382 1.00 0.00 O ATOM 871 CB ASP A 60 -13.959 -6.810 -2.406 1.00 0.00 C ATOM 872 CG ASP A 60 -12.627 -7.373 -1.952 1.00 0.00 C ATOM 873 OD1 ASP A 60 -11.992 -6.757 -1.070 1.00 0.00 O ATOM 874 OD2 ASP A 60 -12.218 -8.429 -2.478 1.00 0.00 O ATOM 0 H ASP A 60 -16.161 -7.601 -1.451 1.00 0.00 H new ATOM 0 HA ASP A 60 -14.013 -5.899 -0.461 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -14.578 -7.618 -2.796 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -13.794 -6.111 -3.226 1.00 0.00 H new ATOM 879 N PRO A 61 -14.544 -3.658 -1.525 1.00 0.00 N ATOM 880 CA PRO A 61 -14.975 -2.324 -1.953 1.00 0.00 C ATOM 881 C PRO A 61 -14.777 -2.092 -3.449 1.00 0.00 C ATOM 882 O PRO A 61 -15.168 -1.052 -3.980 1.00 0.00 O ATOM 883 CB PRO A 61 -14.076 -1.393 -1.144 1.00 0.00 C ATOM 884 CG PRO A 61 -12.829 -2.177 -0.921 1.00 0.00 C ATOM 885 CD PRO A 61 -13.255 -3.618 -0.806 1.00 0.00 C ATOM 0 HA PRO A 61 -16.041 -2.168 -1.787 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -13.872 -0.469 -1.685 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -14.543 -1.113 -0.200 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -12.131 -2.042 -1.747 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -12.319 -1.848 -0.016 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -12.524 -4.289 -1.256 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -13.367 -3.921 0.235 1.00 0.00 H new ATOM 893 N PHE A 62 -14.166 -3.062 -4.127 1.00 0.00 N ATOM 894 CA PHE A 62 -13.920 -2.951 -5.560 1.00 0.00 C ATOM 895 C PHE A 62 -14.635 -4.059 -6.326 1.00 0.00 C ATOM 896 O PHE A 62 -15.342 -3.798 -7.299 1.00 0.00 O ATOM 897 CB PHE A 62 -12.418 -3.009 -5.846 1.00 0.00 C ATOM 898 CG PHE A 62 -11.595 -2.156 -4.923 1.00 0.00 C ATOM 899 CD1 PHE A 62 -11.609 -0.776 -5.040 1.00 0.00 C ATOM 900 CD2 PHE A 62 -10.810 -2.735 -3.940 1.00 0.00 C ATOM 901 CE1 PHE A 62 -10.853 0.012 -4.191 1.00 0.00 C ATOM 902 CE2 PHE A 62 -10.052 -1.954 -3.089 1.00 0.00 C ATOM 903 CZ PHE A 62 -10.073 -0.577 -3.215 1.00 0.00 C ATOM 0 H PHE A 62 -13.834 -3.930 -3.707 1.00 0.00 H new ATOM 0 HA PHE A 62 -14.313 -1.991 -5.895 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -12.082 -4.043 -5.768 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -12.240 -2.693 -6.874 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -12.216 -0.310 -5.802 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -10.790 -3.810 -3.837 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -10.873 1.087 -4.291 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -9.444 -2.418 -2.327 1.00 0.00 H new ATOM 0 HZ PHE A 62 -9.481 0.036 -2.552 1.00 0.00 H new ATOM 913 N ASN A 63 -14.445 -5.298 -5.882 1.00 0.00 N ATOM 914 CA ASN A 63 -15.069 -6.446 -6.529 1.00 0.00 C ATOM 915 C ASN A 63 -16.485 -6.672 -6.002 1.00 0.00 C ATOM 916 O ASN A 63 -17.339 -7.211 -6.706 1.00 0.00 O ATOM 917 CB ASN A 63 -14.224 -7.703 -6.310 1.00 0.00 C ATOM 918 CG ASN A 63 -13.984 -8.469 -7.595 1.00 0.00 C ATOM 919 OD1 ASN A 63 -13.832 -7.878 -8.665 1.00 0.00 O ATOM 920 ND2 ASN A 63 -13.951 -9.793 -7.499 1.00 0.00 N ATOM 0 H ASN A 63 -13.864 -5.532 -5.077 1.00 0.00 H new ATOM 0 HA ASN A 63 -15.130 -6.237 -7.597 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -13.266 -7.422 -5.874 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -14.723 -8.352 -5.591 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -13.795 -10.361 -8.332 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -14.082 -10.242 -6.593 1.00 0.00 H new ATOM 927 N ARG A 64 -16.727 -6.259 -4.762 1.00 0.00 N ATOM 928 CA ARG A 64 -18.039 -6.419 -4.146 1.00 0.00 C ATOM 929 C ARG A 64 -18.387 -7.896 -3.985 1.00 0.00 C ATOM 930 O ARG A 64 -19.555 -8.280 -4.045 1.00 0.00 O ATOM 931 CB ARG A 64 -19.111 -5.716 -4.984 1.00 0.00 C ATOM 932 CG ARG A 64 -20.126 -4.947 -4.154 1.00 0.00 C ATOM 933 CD ARG A 64 -20.635 -3.721 -4.894 1.00 0.00 C ATOM 934 NE ARG A 64 -21.745 -3.080 -4.193 1.00 0.00 N ATOM 935 CZ ARG A 64 -21.595 -2.301 -3.125 1.00 0.00 C ATOM 936 NH1 ARG A 64 -20.386 -2.063 -2.631 1.00 0.00 N ATOM 937 NH2 ARG A 64 -22.658 -1.756 -2.547 1.00 0.00 N ATOM 0 H ARG A 64 -16.032 -5.811 -4.164 1.00 0.00 H new ATOM 0 HA ARG A 64 -18.007 -5.962 -3.157 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -18.626 -5.029 -5.677 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -19.635 -6.459 -5.586 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -20.964 -5.598 -3.907 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -19.671 -4.642 -3.212 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -19.821 -3.006 -5.014 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -20.956 -4.009 -5.895 1.00 0.00 H new ATOM 0 HE ARG A 64 -22.690 -3.239 -4.543 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -19.565 -2.478 -3.071 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -20.278 -1.465 -1.812 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -23.590 -1.934 -2.922 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -22.543 -1.159 -1.728 1.00 0.00 H new ATOM 951 N SER A 65 -17.364 -8.718 -3.779 1.00 0.00 N ATOM 952 CA SER A 65 -17.557 -10.154 -3.608 1.00 0.00 C ATOM 953 C SER A 65 -17.461 -10.541 -2.134 1.00 0.00 C ATOM 954 O SER A 65 -17.007 -9.752 -1.305 1.00 0.00 O ATOM 955 CB SER A 65 -16.518 -10.927 -4.423 1.00 0.00 C ATOM 956 OG SER A 65 -17.098 -11.491 -5.586 1.00 0.00 O ATOM 0 H SER A 65 -16.392 -8.415 -3.726 1.00 0.00 H new ATOM 0 HA SER A 65 -18.553 -10.411 -3.968 1.00 0.00 H new ATOM 0 HB2 SER A 65 -15.704 -10.260 -4.706 1.00 0.00 H new ATOM 0 HB3 SER A 65 -16.084 -11.717 -3.810 1.00 0.00 H new ATOM 0 HG SER A 65 -16.413 -11.978 -6.090 1.00 0.00 H new ATOM 962 N PRO A 66 -17.888 -11.767 -1.785 1.00 0.00 N ATOM 963 CA PRO A 66 -17.844 -12.253 -0.401 1.00 0.00 C ATOM 964 C PRO A 66 -16.423 -12.292 0.150 1.00 0.00 C ATOM 965 O PRO A 66 -15.619 -13.138 -0.238 1.00 0.00 O ATOM 966 CB PRO A 66 -18.425 -13.670 -0.490 1.00 0.00 C ATOM 967 CG PRO A 66 -18.306 -14.051 -1.925 1.00 0.00 C ATOM 968 CD PRO A 66 -18.441 -12.776 -2.704 1.00 0.00 C ATOM 0 HA PRO A 66 -18.397 -11.600 0.275 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -17.875 -14.362 0.148 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -19.464 -13.691 -0.162 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -17.347 -14.530 -2.123 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -19.082 -14.763 -2.205 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -17.886 -12.815 -3.642 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -19.480 -12.565 -2.957 1.00 0.00 H new ATOM 976 N LEU A 67 -16.123 -11.370 1.059 1.00 0.00 N ATOM 977 CA LEU A 67 -14.799 -11.297 1.665 1.00 0.00 C ATOM 978 C LEU A 67 -14.902 -11.110 3.174 1.00 0.00 C ATOM 979 O LEU A 67 -15.859 -10.517 3.672 1.00 0.00 O ATOM 980 CB LEU A 67 -13.997 -10.148 1.049 1.00 0.00 C ATOM 981 CG LEU A 67 -12.562 -10.013 1.560 1.00 0.00 C ATOM 982 CD1 LEU A 67 -11.656 -11.032 0.886 1.00 0.00 C ATOM 983 CD2 LEU A 67 -12.044 -8.601 1.327 1.00 0.00 C ATOM 0 H LEU A 67 -16.779 -10.663 1.392 1.00 0.00 H new ATOM 0 HA LEU A 67 -14.283 -12.237 1.469 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -13.970 -10.283 -0.032 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -14.524 -9.213 1.241 1.00 0.00 H new ATOM 0 HG LEU A 67 -12.559 -10.208 2.632 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -10.639 -10.920 1.263 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -12.015 -12.038 1.103 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -11.664 -10.869 -0.192 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -11.022 -8.523 1.697 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -12.062 -8.378 0.260 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -12.677 -7.889 1.857 1.00 0.00 H new ATOM 995 N THR A 68 -13.911 -11.619 3.898 1.00 0.00 N ATOM 996 CA THR A 68 -13.891 -11.508 5.351 1.00 0.00 C ATOM 997 C THR A 68 -12.527 -11.032 5.843 1.00 0.00 C ATOM 998 O THR A 68 -11.624 -10.777 5.047 1.00 0.00 O ATOM 999 CB THR A 68 -14.234 -12.854 5.989 1.00 0.00 C ATOM 1000 OG1 THR A 68 -13.198 -13.794 5.767 1.00 0.00 O ATOM 1001 CG2 THR A 68 -15.519 -13.455 5.461 1.00 0.00 C ATOM 0 H THR A 68 -13.111 -12.113 3.502 1.00 0.00 H new ATOM 0 HA THR A 68 -14.639 -10.772 5.645 1.00 0.00 H new ATOM 0 HB THR A 68 -14.357 -12.647 7.052 1.00 0.00 H new ATOM 0 HG1 THR A 68 -13.436 -14.648 6.185 1.00 0.00 H new ATOM 0 HG21 THR A 68 -15.704 -14.409 5.955 1.00 0.00 H new ATOM 0 HG22 THR A 68 -16.348 -12.776 5.661 1.00 0.00 H new ATOM 0 HG23 THR A 68 -15.432 -13.614 4.386 1.00 0.00 H new ATOM 1009 N MET A 69 -12.386 -10.918 7.159 1.00 0.00 N ATOM 1010 CA MET A 69 -11.133 -10.473 7.757 1.00 0.00 C ATOM 1011 C MET A 69 -10.115 -11.609 7.799 1.00 0.00 C ATOM 1012 O MET A 69 -8.908 -11.375 7.757 1.00 0.00 O ATOM 1013 CB MET A 69 -11.379 -9.941 9.171 1.00 0.00 C ATOM 1014 CG MET A 69 -10.532 -8.728 9.520 1.00 0.00 C ATOM 1015 SD MET A 69 -11.305 -7.175 9.028 1.00 0.00 S ATOM 1016 CE MET A 69 -10.018 -6.465 8.004 1.00 0.00 C ATOM 0 H MET A 69 -13.124 -11.128 7.832 1.00 0.00 H new ATOM 0 HA MET A 69 -10.730 -9.671 7.139 1.00 0.00 H new ATOM 0 HB2 MET A 69 -12.432 -9.680 9.274 1.00 0.00 H new ATOM 0 HB3 MET A 69 -11.175 -10.735 9.890 1.00 0.00 H new ATOM 0 HG2 MET A 69 -10.350 -8.714 10.595 1.00 0.00 H new ATOM 0 HG3 MET A 69 -9.561 -8.816 9.033 1.00 0.00 H new ATOM 0 HE1 MET A 69 -10.464 -5.784 7.279 1.00 0.00 H new ATOM 0 HE2 MET A 69 -9.314 -5.918 8.631 1.00 0.00 H new ATOM 0 HE3 MET A 69 -9.492 -7.261 7.477 1.00 0.00 H new ATOM 1026 N ASP A 70 -10.612 -12.839 7.882 1.00 0.00 N ATOM 1027 CA ASP A 70 -9.745 -14.012 7.930 1.00 0.00 C ATOM 1028 C ASP A 70 -9.151 -14.306 6.556 1.00 0.00 C ATOM 1029 O ASP A 70 -8.003 -14.736 6.444 1.00 0.00 O ATOM 1030 CB ASP A 70 -10.525 -15.228 8.433 1.00 0.00 C ATOM 1031 CG ASP A 70 -10.364 -15.441 9.925 1.00 0.00 C ATOM 1032 OD1 ASP A 70 -11.035 -14.729 10.702 1.00 0.00 O ATOM 1033 OD2 ASP A 70 -9.566 -16.319 10.316 1.00 0.00 O ATOM 0 H ASP A 70 -11.609 -13.050 7.917 1.00 0.00 H new ATOM 0 HA ASP A 70 -8.929 -13.802 8.621 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -11.582 -15.101 8.199 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -10.186 -16.118 7.903 1.00 0.00 H new ATOM 1038 N GLN A 71 -9.940 -14.073 5.512 1.00 0.00 N ATOM 1039 CA GLN A 71 -9.493 -14.315 4.146 1.00 0.00 C ATOM 1040 C GLN A 71 -8.312 -13.417 3.791 1.00 0.00 C ATOM 1041 O GLN A 71 -7.252 -13.897 3.391 1.00 0.00 O ATOM 1042 CB GLN A 71 -10.641 -14.081 3.162 1.00 0.00 C ATOM 1043 CG GLN A 71 -11.526 -15.301 2.961 1.00 0.00 C ATOM 1044 CD GLN A 71 -12.160 -15.341 1.584 1.00 0.00 C ATOM 1045 OE1 GLN A 71 -12.184 -16.383 0.930 1.00 0.00 O ATOM 1046 NE2 GLN A 71 -12.676 -14.203 1.137 1.00 0.00 N ATOM 0 H GLN A 71 -10.893 -13.717 5.587 1.00 0.00 H new ATOM 0 HA GLN A 71 -9.169 -15.353 4.076 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -11.253 -13.253 3.520 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.228 -13.779 2.199 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -10.934 -16.204 3.111 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -12.310 -15.305 3.718 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -12.634 -13.363 1.714 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -13.115 -14.169 0.217 1.00 0.00 H new ATOM 1055 N ILE A 72 -8.503 -12.109 3.940 1.00 0.00 N ATOM 1056 CA ILE A 72 -7.452 -11.144 3.635 1.00 0.00 C ATOM 1057 C ILE A 72 -6.201 -11.412 4.463 1.00 0.00 C ATOM 1058 O ILE A 72 -6.273 -11.580 5.681 1.00 0.00 O ATOM 1059 CB ILE A 72 -7.923 -9.699 3.892 1.00 0.00 C ATOM 1060 CG1 ILE A 72 -8.496 -9.568 5.305 1.00 0.00 C ATOM 1061 CG2 ILE A 72 -8.956 -9.287 2.853 1.00 0.00 C ATOM 1062 CD1 ILE A 72 -7.550 -8.906 6.282 1.00 0.00 C ATOM 0 H ILE A 72 -9.374 -11.694 4.270 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.216 -11.259 2.577 1.00 0.00 H new ATOM 0 HB ILE A 72 -7.065 -9.032 3.807 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -9.421 -8.993 5.261 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -8.754 -10.560 5.677 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -9.279 -8.264 3.047 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -8.515 -9.345 1.858 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -9.815 -9.956 2.909 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -8.022 -8.847 7.263 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -6.634 -9.492 6.355 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -7.311 -7.901 5.933 1.00 0.00 H new ATOM 1074 N ARG A 73 -5.053 -11.454 3.794 1.00 0.00 N ATOM 1075 CA ARG A 73 -3.783 -11.702 4.468 1.00 0.00 C ATOM 1076 C ARG A 73 -2.838 -10.513 4.310 1.00 0.00 C ATOM 1077 O ARG A 73 -2.942 -9.752 3.348 1.00 0.00 O ATOM 1078 CB ARG A 73 -3.126 -12.967 3.911 1.00 0.00 C ATOM 1079 CG ARG A 73 -3.696 -14.253 4.490 1.00 0.00 C ATOM 1080 CD ARG A 73 -2.663 -14.997 5.323 1.00 0.00 C ATOM 1081 NE ARG A 73 -2.970 -16.421 5.431 1.00 0.00 N ATOM 1082 CZ ARG A 73 -2.268 -17.278 6.170 1.00 0.00 C ATOM 1083 NH1 ARG A 73 -1.220 -16.858 6.868 1.00 0.00 N ATOM 1084 NH2 ARG A 73 -2.616 -18.557 6.212 1.00 0.00 N ATOM 0 H ARG A 73 -4.976 -11.320 2.786 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.986 -11.841 5.530 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -3.245 -12.982 2.828 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -2.056 -12.930 4.113 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -4.564 -14.022 5.107 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -4.043 -14.895 3.680 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -1.677 -14.872 4.875 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -2.618 -14.559 6.320 1.00 0.00 H new ATOM 0 HE ARG A 73 -3.770 -16.780 4.909 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -0.949 -15.875 6.840 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -0.685 -17.518 7.433 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -3.421 -18.884 5.678 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -2.078 -19.213 6.778 1.00 0.00 H new ATOM 1098 N PRO A 74 -1.901 -10.337 5.258 1.00 0.00 N ATOM 1099 CA PRO A 74 -0.936 -9.234 5.218 1.00 0.00 C ATOM 1100 C PRO A 74 0.111 -9.418 4.126 1.00 0.00 C ATOM 1101 O PRO A 74 0.796 -10.439 4.076 1.00 0.00 O ATOM 1102 CB PRO A 74 -0.282 -9.288 6.599 1.00 0.00 C ATOM 1103 CG PRO A 74 -0.413 -10.709 7.023 1.00 0.00 C ATOM 1104 CD PRO A 74 -1.710 -11.200 6.439 1.00 0.00 C ATOM 0 HA PRO A 74 -1.415 -8.281 4.994 1.00 0.00 H new ATOM 0 HB2 PRO A 74 0.763 -8.983 6.554 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -0.780 -8.618 7.300 1.00 0.00 H new ATOM 0 HG2 PRO A 74 0.427 -11.303 6.662 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -0.418 -10.793 8.110 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -1.653 -12.253 6.162 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -2.533 -11.100 7.147 1.00 0.00 H new ATOM 1112 N ASN A 75 0.229 -8.424 3.253 1.00 0.00 N ATOM 1113 CA ASN A 75 1.195 -8.476 2.161 1.00 0.00 C ATOM 1114 C ASN A 75 2.614 -8.274 2.678 1.00 0.00 C ATOM 1115 O ASN A 75 3.078 -7.143 2.823 1.00 0.00 O ATOM 1116 CB ASN A 75 0.866 -7.412 1.112 1.00 0.00 C ATOM 1117 CG ASN A 75 1.426 -7.754 -0.254 1.00 0.00 C ATOM 1118 OD1 ASN A 75 1.921 -8.858 -0.477 1.00 0.00 O ATOM 1119 ND2 ASN A 75 1.352 -6.803 -1.179 1.00 0.00 N ATOM 0 H ASN A 75 -0.332 -7.572 3.280 1.00 0.00 H new ATOM 0 HA ASN A 75 1.133 -9.463 1.702 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -0.216 -7.299 1.040 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.266 -6.451 1.435 1.00 0.00 H new ATOM 0 HD21 ASN A 75 1.714 -6.975 -2.117 1.00 0.00 H new ATOM 0 HD22 ASN A 75 0.933 -5.901 -0.951 1.00 0.00 H new ATOM 1126 N THR A 76 3.300 -9.377 2.959 1.00 0.00 N ATOM 1127 CA THR A 76 4.668 -9.322 3.461 1.00 0.00 C ATOM 1128 C THR A 76 5.606 -8.716 2.423 1.00 0.00 C ATOM 1129 O THR A 76 6.580 -8.049 2.766 1.00 0.00 O ATOM 1130 CB THR A 76 5.149 -10.721 3.846 1.00 0.00 C ATOM 1131 OG1 THR A 76 4.050 -11.573 4.118 1.00 0.00 O ATOM 1132 CG2 THR A 76 6.049 -10.731 5.062 1.00 0.00 C ATOM 0 H THR A 76 2.930 -10.321 2.847 1.00 0.00 H new ATOM 0 HA THR A 76 4.677 -8.686 4.346 1.00 0.00 H new ATOM 0 HB THR A 76 5.720 -11.075 2.988 1.00 0.00 H new ATOM 0 HG1 THR A 76 4.379 -12.464 4.361 1.00 0.00 H new ATOM 0 HG21 THR A 76 6.354 -11.754 5.280 1.00 0.00 H new ATOM 0 HG22 THR A 76 6.932 -10.123 4.866 1.00 0.00 H new ATOM 0 HG23 THR A 76 5.510 -10.323 5.917 1.00 0.00 H new ATOM 1140 N GLU A 77 5.304 -8.953 1.149 1.00 0.00 N ATOM 1141 CA GLU A 77 6.121 -8.431 0.061 1.00 0.00 C ATOM 1142 C GLU A 77 6.066 -6.908 0.021 1.00 0.00 C ATOM 1143 O GLU A 77 7.044 -6.250 -0.331 1.00 0.00 O ATOM 1144 CB GLU A 77 5.654 -9.006 -1.278 1.00 0.00 C ATOM 1145 CG GLU A 77 6.358 -10.297 -1.665 1.00 0.00 C ATOM 1146 CD GLU A 77 6.768 -10.321 -3.125 1.00 0.00 C ATOM 1147 OE1 GLU A 77 6.078 -9.681 -3.946 1.00 0.00 O ATOM 1148 OE2 GLU A 77 7.778 -10.981 -3.447 1.00 0.00 O ATOM 0 H GLU A 77 4.500 -9.503 0.847 1.00 0.00 H new ATOM 0 HA GLU A 77 7.153 -8.734 0.238 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.580 -9.187 -1.231 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.818 -8.264 -2.060 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.242 -10.426 -1.041 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.699 -11.141 -1.462 1.00 0.00 H new ATOM 1155 N LEU A 78 4.914 -6.354 0.383 1.00 0.00 N ATOM 1156 CA LEU A 78 4.729 -4.907 0.389 1.00 0.00 C ATOM 1157 C LEU A 78 5.121 -4.314 1.738 1.00 0.00 C ATOM 1158 O LEU A 78 5.715 -3.238 1.805 1.00 0.00 O ATOM 1159 CB LEU A 78 3.274 -4.557 0.069 1.00 0.00 C ATOM 1160 CG LEU A 78 3.018 -3.081 -0.241 1.00 0.00 C ATOM 1161 CD1 LEU A 78 3.846 -2.634 -1.435 1.00 0.00 C ATOM 1162 CD2 LEU A 78 1.538 -2.841 -0.496 1.00 0.00 C ATOM 0 H LEU A 78 4.094 -6.885 0.676 1.00 0.00 H new ATOM 0 HA LEU A 78 5.376 -4.480 -0.377 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.952 -5.153 -0.785 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.651 -4.849 0.915 1.00 0.00 H new ATOM 0 HG LEU A 78 3.319 -2.490 0.624 1.00 0.00 H new ATOM 0 HD11 LEU A 78 3.650 -1.582 -1.640 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.905 -2.770 -1.215 1.00 0.00 H new ATOM 0 HD13 LEU A 78 3.577 -3.230 -2.307 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.373 -1.786 -0.715 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.213 -3.443 -1.344 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.966 -3.122 0.388 1.00 0.00 H new ATOM 1174 N LYS A 79 4.785 -5.023 2.811 1.00 0.00 N ATOM 1175 CA LYS A 79 5.103 -4.567 4.160 1.00 0.00 C ATOM 1176 C LYS A 79 6.604 -4.352 4.325 1.00 0.00 C ATOM 1177 O LYS A 79 7.037 -3.440 5.028 1.00 0.00 O ATOM 1178 CB LYS A 79 4.604 -5.579 5.194 1.00 0.00 C ATOM 1179 CG LYS A 79 4.433 -4.991 6.586 1.00 0.00 C ATOM 1180 CD LYS A 79 5.051 -5.886 7.650 1.00 0.00 C ATOM 1181 CE LYS A 79 4.548 -5.528 9.038 1.00 0.00 C ATOM 1182 NZ LYS A 79 3.397 -6.379 9.449 1.00 0.00 N ATOM 0 H LYS A 79 4.293 -5.915 2.773 1.00 0.00 H new ATOM 0 HA LYS A 79 4.599 -3.614 4.321 1.00 0.00 H new ATOM 0 HB2 LYS A 79 3.649 -5.986 4.861 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.306 -6.412 5.244 1.00 0.00 H new ATOM 0 HG2 LYS A 79 4.896 -4.005 6.625 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.372 -4.854 6.796 1.00 0.00 H new ATOM 0 HD2 LYS A 79 4.814 -6.928 7.433 1.00 0.00 H new ATOM 0 HD3 LYS A 79 6.137 -5.793 7.620 1.00 0.00 H new ATOM 0 HE2 LYS A 79 5.358 -5.641 9.758 1.00 0.00 H new ATOM 0 HE3 LYS A 79 4.249 -4.480 9.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 2.537 -5.797 9.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 3.260 -7.138 8.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 3.590 -6.797 10.382 1.00 0.00 H new ATOM 1196 N GLU A 80 7.393 -5.199 3.670 1.00 0.00 N ATOM 1197 CA GLU A 80 8.845 -5.101 3.744 1.00 0.00 C ATOM 1198 C GLU A 80 9.350 -3.910 2.933 1.00 0.00 C ATOM 1199 O GLU A 80 10.359 -3.295 3.277 1.00 0.00 O ATOM 1200 CB GLU A 80 9.491 -6.390 3.233 1.00 0.00 C ATOM 1201 CG GLU A 80 9.382 -7.552 4.209 1.00 0.00 C ATOM 1202 CD GLU A 80 10.475 -8.583 4.010 1.00 0.00 C ATOM 1203 OE1 GLU A 80 11.643 -8.183 3.828 1.00 0.00 O ATOM 1204 OE2 GLU A 80 10.162 -9.793 4.038 1.00 0.00 O ATOM 0 H GLU A 80 7.051 -5.960 3.083 1.00 0.00 H new ATOM 0 HA GLU A 80 9.122 -4.953 4.788 1.00 0.00 H new ATOM 0 HB2 GLU A 80 9.023 -6.673 2.290 1.00 0.00 H new ATOM 0 HB3 GLU A 80 10.543 -6.201 3.022 1.00 0.00 H new ATOM 0 HG2 GLU A 80 9.428 -7.171 5.229 1.00 0.00 H new ATOM 0 HG3 GLU A 80 8.410 -8.031 4.091 1.00 0.00 H new ATOM 1211 N LYS A 81 8.640 -3.591 1.857 1.00 0.00 N ATOM 1212 CA LYS A 81 9.014 -2.474 0.997 1.00 0.00 C ATOM 1213 C LYS A 81 8.795 -1.143 1.708 1.00 0.00 C ATOM 1214 O LYS A 81 9.592 -0.216 1.570 1.00 0.00 O ATOM 1215 CB LYS A 81 8.207 -2.510 -0.303 1.00 0.00 C ATOM 1216 CG LYS A 81 8.871 -3.312 -1.409 1.00 0.00 C ATOM 1217 CD LYS A 81 7.924 -3.543 -2.576 1.00 0.00 C ATOM 1218 CE LYS A 81 8.680 -3.702 -3.886 1.00 0.00 C ATOM 1219 NZ LYS A 81 8.657 -2.452 -4.695 1.00 0.00 N ATOM 0 H LYS A 81 7.802 -4.090 1.559 1.00 0.00 H new ATOM 0 HA LYS A 81 10.074 -2.569 0.761 1.00 0.00 H new ATOM 0 HB2 LYS A 81 7.224 -2.934 -0.099 1.00 0.00 H new ATOM 0 HB3 LYS A 81 8.048 -1.489 -0.651 1.00 0.00 H new ATOM 0 HG2 LYS A 81 9.759 -2.786 -1.759 1.00 0.00 H new ATOM 0 HG3 LYS A 81 9.204 -4.272 -1.014 1.00 0.00 H new ATOM 0 HD2 LYS A 81 7.326 -4.435 -2.389 1.00 0.00 H new ATOM 0 HD3 LYS A 81 7.231 -2.705 -2.654 1.00 0.00 H new ATOM 0 HE2 LYS A 81 9.713 -3.981 -3.678 1.00 0.00 H new ATOM 0 HE3 LYS A 81 8.240 -4.516 -4.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 9.183 -2.601 -5.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 7.673 -2.199 -4.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 9.100 -1.681 -4.155 1.00 0.00 H new ATOM 1233 N ILE A 82 7.708 -1.056 2.469 1.00 0.00 N ATOM 1234 CA ILE A 82 7.385 0.161 3.202 1.00 0.00 C ATOM 1235 C ILE A 82 8.401 0.420 4.310 1.00 0.00 C ATOM 1236 O ILE A 82 8.839 1.553 4.513 1.00 0.00 O ATOM 1237 CB ILE A 82 5.974 0.090 3.819 1.00 0.00 C ATOM 1238 CG1 ILE A 82 4.947 -0.313 2.758 1.00 0.00 C ATOM 1239 CG2 ILE A 82 5.599 1.427 4.443 1.00 0.00 C ATOM 1240 CD1 ILE A 82 3.808 -1.145 3.306 1.00 0.00 C ATOM 0 H ILE A 82 7.037 -1.814 2.593 1.00 0.00 H new ATOM 0 HA ILE A 82 7.417 0.980 2.484 1.00 0.00 H new ATOM 0 HB ILE A 82 5.976 -0.668 4.603 1.00 0.00 H new ATOM 0 HG12 ILE A 82 4.540 0.587 2.297 1.00 0.00 H new ATOM 0 HG13 ILE A 82 5.451 -0.874 1.971 1.00 0.00 H new ATOM 0 HG21 ILE A 82 4.600 1.360 4.874 1.00 0.00 H new ATOM 0 HG22 ILE A 82 6.316 1.677 5.225 1.00 0.00 H new ATOM 0 HG23 ILE A 82 5.612 2.202 3.677 1.00 0.00 H new ATOM 0 HD11 ILE A 82 3.119 -1.394 2.499 1.00 0.00 H new ATOM 0 HD12 ILE A 82 4.204 -2.062 3.741 1.00 0.00 H new ATOM 0 HD13 ILE A 82 3.280 -0.578 4.073 1.00 0.00 H new ATOM 1252 N GLN A 83 8.772 -0.638 5.024 1.00 0.00 N ATOM 1253 CA GLN A 83 9.738 -0.524 6.111 1.00 0.00 C ATOM 1254 C GLN A 83 11.078 -0.010 5.595 1.00 0.00 C ATOM 1255 O GLN A 83 11.804 0.685 6.306 1.00 0.00 O ATOM 1256 CB GLN A 83 9.927 -1.877 6.798 1.00 0.00 C ATOM 1257 CG GLN A 83 8.629 -2.500 7.284 1.00 0.00 C ATOM 1258 CD GLN A 83 8.337 -2.179 8.737 1.00 0.00 C ATOM 1259 OE1 GLN A 83 9.251 -2.004 9.542 1.00 0.00 O ATOM 1260 NE2 GLN A 83 7.057 -2.100 9.080 1.00 0.00 N ATOM 0 H GLN A 83 8.419 -1.583 4.870 1.00 0.00 H new ATOM 0 HA GLN A 83 9.349 0.191 6.836 1.00 0.00 H new ATOM 0 HB2 GLN A 83 10.412 -2.563 6.103 1.00 0.00 H new ATOM 0 HB3 GLN A 83 10.601 -1.753 7.646 1.00 0.00 H new ATOM 0 HG2 GLN A 83 7.805 -2.145 6.665 1.00 0.00 H new ATOM 0 HG3 GLN A 83 8.680 -3.581 7.158 1.00 0.00 H new ATOM 0 HE21 GLN A 83 6.331 -2.252 8.380 1.00 0.00 H new ATOM 0 HE22 GLN A 83 6.799 -1.887 10.044 1.00 0.00 H new ATOM 1269 N ARG A 84 11.399 -0.357 4.353 1.00 0.00 N ATOM 1270 CA ARG A 84 12.653 0.069 3.741 1.00 0.00 C ATOM 1271 C ARG A 84 12.617 1.557 3.411 1.00 0.00 C ATOM 1272 O ARG A 84 13.619 2.259 3.552 1.00 0.00 O ATOM 1273 CB ARG A 84 12.925 -0.741 2.471 1.00 0.00 C ATOM 1274 CG ARG A 84 13.720 -2.012 2.719 1.00 0.00 C ATOM 1275 CD ARG A 84 14.518 -2.419 1.490 1.00 0.00 C ATOM 1276 NE ARG A 84 14.565 -3.870 1.324 1.00 0.00 N ATOM 1277 CZ ARG A 84 13.563 -4.593 0.831 1.00 0.00 C ATOM 1278 NH1 ARG A 84 12.434 -4.004 0.454 1.00 0.00 N ATOM 1279 NH2 ARG A 84 13.689 -5.907 0.714 1.00 0.00 N ATOM 0 H ARG A 84 10.809 -0.931 3.751 1.00 0.00 H new ATOM 0 HA ARG A 84 13.457 -0.108 4.455 1.00 0.00 H new ATOM 0 HB2 ARG A 84 11.974 -1.002 2.006 1.00 0.00 H new ATOM 0 HB3 ARG A 84 13.467 -0.116 1.761 1.00 0.00 H new ATOM 0 HG2 ARG A 84 14.397 -1.861 3.560 1.00 0.00 H new ATOM 0 HG3 ARG A 84 13.041 -2.818 2.997 1.00 0.00 H new ATOM 0 HD2 ARG A 84 14.074 -1.967 0.603 1.00 0.00 H new ATOM 0 HD3 ARG A 84 15.533 -2.030 1.572 1.00 0.00 H new ATOM 0 HE ARG A 84 15.417 -4.357 1.603 1.00 0.00 H new ATOM 0 HH11 ARG A 84 12.332 -2.993 0.542 1.00 0.00 H new ATOM 0 HH12 ARG A 84 11.669 -4.563 0.077 1.00 0.00 H new ATOM 0 HH21 ARG A 84 14.554 -6.364 1.002 1.00 0.00 H new ATOM 0 HH22 ARG A 84 12.921 -6.461 0.336 1.00 0.00 H new ATOM 1293 N TRP A 85 11.457 2.033 2.971 1.00 0.00 N ATOM 1294 CA TRP A 85 11.290 3.439 2.621 1.00 0.00 C ATOM 1295 C TRP A 85 11.167 4.301 3.874 1.00 0.00 C ATOM 1296 O TRP A 85 11.729 5.393 3.945 1.00 0.00 O ATOM 1297 CB TRP A 85 10.056 3.624 1.737 1.00 0.00 C ATOM 1298 CG TRP A 85 9.853 5.039 1.288 1.00 0.00 C ATOM 1299 CD1 TRP A 85 10.480 5.668 0.252 1.00 0.00 C ATOM 1300 CD2 TRP A 85 8.963 6.003 1.864 1.00 0.00 C ATOM 1301 NE1 TRP A 85 10.035 6.964 0.146 1.00 0.00 N ATOM 1302 CE2 TRP A 85 9.103 7.193 1.125 1.00 0.00 C ATOM 1303 CE3 TRP A 85 8.061 5.975 2.931 1.00 0.00 C ATOM 1304 CZ2 TRP A 85 8.375 8.343 1.420 1.00 0.00 C ATOM 1305 CZ3 TRP A 85 7.339 7.117 3.223 1.00 0.00 C ATOM 1306 CH2 TRP A 85 7.499 8.286 2.469 1.00 0.00 C ATOM 0 H TRP A 85 10.618 1.466 2.848 1.00 0.00 H new ATOM 0 HA TRP A 85 12.174 3.757 2.069 1.00 0.00 H new ATOM 0 HB2 TRP A 85 10.146 2.982 0.861 1.00 0.00 H new ATOM 0 HB3 TRP A 85 9.173 3.294 2.284 1.00 0.00 H new ATOM 0 HD1 TRP A 85 11.219 5.213 -0.391 1.00 0.00 H new ATOM 0 HE1 TRP A 85 10.347 7.644 -0.547 1.00 0.00 H new ATOM 0 HE3 TRP A 85 7.930 5.077 3.517 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 8.498 9.247 0.842 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 6.640 7.107 4.046 1.00 0.00 H new ATOM 0 HH2 TRP A 85 6.918 9.161 2.721 1.00 0.00 H new