USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 756 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 24 MET CE :methyl -116:sc= -0.249 (180deg=-0.489) USER MOD Single : A 25 SER OG : rot 87:sc= 0.128 USER MOD Single : A 26 TYR OH : rot -19:sc= 0.783 USER MOD Single : A 29 LYS NZ :NH3+ -148:sc= -0.566 (180deg=-2.41!) USER MOD Single : A 31 GLN : amide:sc= -0.255 X(o=-0.25,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.112 X(o=-0.11,f=-0.47) USER MOD Single : A 38 LYS NZ :NH3+ 177:sc= 0.113 (180deg=0.0137) USER MOD Single : A 43 LYS NZ :NH3+ 171:sc= -0.023 (180deg=-0.16) USER MOD Single : A 49 HIS : no HD1:sc= -0.0296 X(o=-0.03,f=-0.5) USER MOD Single : A 52 GLN : amide:sc= -3.33! K(o=-3.3!,f=-0.63) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -10:sc= 0.512 USER MOD Single : A 62 ASN : amide:sc= -1.88! K(o=-1.9!,f=-0.041) USER MOD Single : A 72 THR OG1 : rot -96:sc= 0.347 USER MOD Single : A 74 LYS NZ :NH3+ -172:sc= -0.0184 (180deg=-0.131) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= -0.0723 USER MOD Single : A 84 TYR OH : rot 110:sc= -0.031 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 CYS SG : rot 75:sc= -0.485 USER MOD Single : A 106 THR OG1 : rot 34:sc= 0.216 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0383) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD ----------------------------------------------------------------- ATOM 296 N ARG A 22 -9.439 27.350 -17.732 1.00 0.00 N ATOM 297 CA ARG A 22 -10.904 27.436 -17.902 1.00 0.00 C ATOM 298 C ARG A 22 -11.618 26.804 -16.687 1.00 0.00 C ATOM 299 O ARG A 22 -11.083 25.859 -16.097 1.00 0.00 O ATOM 300 CB ARG A 22 -11.326 26.752 -19.243 1.00 0.00 C ATOM 301 CG ARG A 22 -11.060 27.621 -20.500 1.00 0.00 C ATOM 302 CD ARG A 22 -11.357 26.889 -21.824 1.00 0.00 C ATOM 303 NE ARG A 22 -10.272 25.951 -22.192 1.00 0.00 N ATOM 304 CZ ARG A 22 -10.434 24.682 -22.589 1.00 0.00 C ATOM 305 NH1 ARG A 22 -11.621 24.099 -22.551 1.00 0.00 N ATOM 306 NH2 ARG A 22 -9.389 23.994 -23.012 1.00 0.00 N ATOM 0 HA ARG A 22 -11.204 28.483 -17.953 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -10.788 25.809 -19.344 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -12.388 26.510 -19.198 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -11.672 28.522 -20.446 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -10.018 27.942 -20.497 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -12.295 26.341 -21.733 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -11.490 27.620 -22.621 1.00 0.00 H new ATOM 0 HE ARG A 22 -9.316 26.303 -22.138 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -12.433 24.617 -22.215 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -11.724 23.132 -22.858 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -8.467 24.429 -23.035 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -9.504 23.027 -23.316 1.00 0.00 H new ATOM 320 N PRO A 23 -12.827 27.348 -16.274 1.00 0.00 N ATOM 321 CA PRO A 23 -13.625 26.800 -15.144 1.00 0.00 C ATOM 322 C PRO A 23 -13.961 25.309 -15.338 1.00 0.00 C ATOM 323 O PRO A 23 -14.289 24.886 -16.455 1.00 0.00 O ATOM 324 CB PRO A 23 -14.925 27.663 -15.165 1.00 0.00 C ATOM 325 CG PRO A 23 -14.497 28.949 -15.802 1.00 0.00 C ATOM 326 CD PRO A 23 -13.509 28.534 -16.873 1.00 0.00 C ATOM 0 HA PRO A 23 -13.084 26.849 -14.199 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -15.716 27.178 -15.737 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -15.312 27.825 -14.159 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -15.346 29.481 -16.231 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -14.036 29.618 -15.075 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -14.011 28.280 -17.806 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -12.802 29.332 -17.099 1.00 0.00 H new ATOM 334 N MET A 24 -13.866 24.529 -14.246 1.00 0.00 N ATOM 335 CA MET A 24 -14.265 23.104 -14.224 1.00 0.00 C ATOM 336 C MET A 24 -15.786 22.971 -14.450 1.00 0.00 C ATOM 337 O MET A 24 -16.513 23.977 -14.378 1.00 0.00 O ATOM 338 CB MET A 24 -13.831 22.443 -12.886 1.00 0.00 C ATOM 339 CG MET A 24 -12.307 22.265 -12.722 1.00 0.00 C ATOM 340 SD MET A 24 -11.360 23.797 -12.877 1.00 0.00 S ATOM 341 CE MET A 24 -11.822 24.662 -11.383 1.00 0.00 C ATOM 0 H MET A 24 -13.510 24.866 -13.351 1.00 0.00 H new ATOM 0 HA MET A 24 -13.759 22.581 -15.035 1.00 0.00 H new ATOM 0 HB2 MET A 24 -14.204 23.048 -12.059 1.00 0.00 H new ATOM 0 HB3 MET A 24 -14.308 21.466 -12.807 1.00 0.00 H new ATOM 0 HG2 MET A 24 -12.107 21.825 -11.745 1.00 0.00 H new ATOM 0 HG3 MET A 24 -11.953 21.555 -13.470 1.00 0.00 H new ATOM 0 HE1 MET A 24 -12.358 25.575 -11.642 1.00 0.00 H new ATOM 0 HE2 MET A 24 -12.464 24.023 -10.777 1.00 0.00 H new ATOM 0 HE3 MET A 24 -10.925 24.916 -10.818 1.00 0.00 H new ATOM 351 N SER A 25 -16.252 21.728 -14.701 1.00 0.00 N ATOM 352 CA SER A 25 -17.646 21.445 -15.102 1.00 0.00 C ATOM 353 C SER A 25 -18.647 22.054 -14.107 1.00 0.00 C ATOM 354 O SER A 25 -18.466 21.925 -12.893 1.00 0.00 O ATOM 355 CB SER A 25 -17.872 19.920 -15.212 1.00 0.00 C ATOM 356 OG SER A 25 -16.839 19.313 -15.970 1.00 0.00 O ATOM 0 H SER A 25 -15.671 20.893 -14.631 1.00 0.00 H new ATOM 0 HA SER A 25 -17.814 21.904 -16.076 1.00 0.00 H new ATOM 0 HB2 SER A 25 -17.905 19.480 -14.215 1.00 0.00 H new ATOM 0 HB3 SER A 25 -18.837 19.723 -15.680 1.00 0.00 H new ATOM 0 HG SER A 25 -16.089 19.089 -15.380 1.00 0.00 H new ATOM 362 N TYR A 26 -19.680 22.724 -14.638 1.00 0.00 N ATOM 363 CA TYR A 26 -20.726 23.378 -13.825 1.00 0.00 C ATOM 364 C TYR A 26 -21.431 22.347 -12.931 1.00 0.00 C ATOM 365 O TYR A 26 -21.846 22.672 -11.832 1.00 0.00 O ATOM 366 CB TYR A 26 -21.744 24.122 -14.730 1.00 0.00 C ATOM 367 CG TYR A 26 -21.150 25.321 -15.507 1.00 0.00 C ATOM 368 CD1 TYR A 26 -21.479 26.643 -15.182 1.00 0.00 C ATOM 369 CD2 TYR A 26 -20.242 25.125 -16.554 1.00 0.00 C ATOM 370 CE1 TYR A 26 -20.943 27.707 -15.882 1.00 0.00 C ATOM 371 CE2 TYR A 26 -19.706 26.187 -17.252 1.00 0.00 C ATOM 372 CZ TYR A 26 -20.054 27.475 -16.910 1.00 0.00 C ATOM 373 OH TYR A 26 -19.516 28.532 -17.607 1.00 0.00 O ATOM 0 H TYR A 26 -19.818 22.830 -15.643 1.00 0.00 H new ATOM 0 HA TYR A 26 -20.251 24.119 -13.182 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -22.163 23.413 -15.444 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -22.569 24.477 -14.113 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -22.164 26.834 -14.369 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -19.954 24.119 -16.821 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -21.220 28.719 -15.624 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -19.016 26.009 -18.064 1.00 0.00 H new ATOM 0 HH TYR A 26 -20.070 29.329 -17.472 1.00 0.00 H new ATOM 383 N ASP A 27 -21.510 21.102 -13.424 1.00 0.00 N ATOM 384 CA ASP A 27 -21.991 19.934 -12.662 1.00 0.00 C ATOM 385 C ASP A 27 -21.193 19.758 -11.362 1.00 0.00 C ATOM 386 O ASP A 27 -21.782 19.676 -10.286 1.00 0.00 O ATOM 387 CB ASP A 27 -21.886 18.659 -13.541 1.00 0.00 C ATOM 388 CG ASP A 27 -22.266 17.356 -12.809 1.00 0.00 C ATOM 389 OD1 ASP A 27 -23.457 17.184 -12.462 1.00 0.00 O ATOM 390 OD2 ASP A 27 -21.376 16.512 -12.568 1.00 0.00 O ATOM 0 H ASP A 27 -21.237 20.872 -14.380 1.00 0.00 H new ATOM 0 HA ASP A 27 -23.034 20.099 -12.392 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -22.532 18.776 -14.411 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -20.865 18.570 -13.912 1.00 0.00 H new ATOM 395 N GLU A 28 -19.848 19.730 -11.488 1.00 0.00 N ATOM 396 CA GLU A 28 -18.928 19.619 -10.340 1.00 0.00 C ATOM 397 C GLU A 28 -19.151 20.770 -9.348 1.00 0.00 C ATOM 398 O GLU A 28 -19.107 20.566 -8.155 1.00 0.00 O ATOM 399 CB GLU A 28 -17.450 19.662 -10.809 1.00 0.00 C ATOM 400 CG GLU A 28 -17.013 18.527 -11.752 1.00 0.00 C ATOM 401 CD GLU A 28 -15.542 18.662 -12.192 1.00 0.00 C ATOM 402 OE1 GLU A 28 -14.646 18.353 -11.381 1.00 0.00 O ATOM 403 OE2 GLU A 28 -15.274 19.107 -13.330 1.00 0.00 O ATOM 0 H GLU A 28 -19.372 19.784 -12.389 1.00 0.00 H new ATOM 0 HA GLU A 28 -19.134 18.665 -9.854 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -17.276 20.614 -11.311 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -16.808 19.644 -9.928 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -17.153 17.569 -11.252 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -17.654 18.524 -12.633 1.00 0.00 H new ATOM 410 N LYS A 29 -19.374 21.974 -9.897 1.00 0.00 N ATOM 411 CA LYS A 29 -19.555 23.224 -9.131 1.00 0.00 C ATOM 412 C LYS A 29 -20.889 23.232 -8.349 1.00 0.00 C ATOM 413 O LYS A 29 -20.952 23.753 -7.233 1.00 0.00 O ATOM 414 CB LYS A 29 -19.443 24.438 -10.120 1.00 0.00 C ATOM 415 CG LYS A 29 -18.009 24.973 -10.440 1.00 0.00 C ATOM 416 CD LYS A 29 -16.944 23.878 -10.752 1.00 0.00 C ATOM 417 CE LYS A 29 -16.133 23.447 -9.513 1.00 0.00 C ATOM 418 NZ LYS A 29 -15.174 22.344 -9.798 1.00 0.00 N ATOM 0 H LYS A 29 -19.435 22.112 -10.906 1.00 0.00 H new ATOM 0 HA LYS A 29 -18.771 23.303 -8.378 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -19.914 24.151 -11.060 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -20.027 25.262 -9.710 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -18.073 25.648 -11.293 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -17.662 25.563 -9.592 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -17.443 23.005 -11.173 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -16.260 24.253 -11.513 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -15.585 24.307 -9.128 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -16.820 23.130 -8.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -15.070 21.748 -8.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -15.532 21.768 -10.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -14.250 22.745 -10.055 1.00 0.00 H new ATOM 432 N ARG A 30 -21.932 22.622 -8.933 1.00 0.00 N ATOM 433 CA ARG A 30 -23.254 22.482 -8.284 1.00 0.00 C ATOM 434 C ARG A 30 -23.166 21.459 -7.132 1.00 0.00 C ATOM 435 O ARG A 30 -23.730 21.671 -6.050 1.00 0.00 O ATOM 436 CB ARG A 30 -24.320 22.052 -9.331 1.00 0.00 C ATOM 437 CG ARG A 30 -24.554 23.088 -10.461 1.00 0.00 C ATOM 438 CD ARG A 30 -25.493 22.579 -11.569 1.00 0.00 C ATOM 439 NE ARG A 30 -25.557 23.520 -12.706 1.00 0.00 N ATOM 440 CZ ARG A 30 -26.337 24.622 -12.774 1.00 0.00 C ATOM 441 NH1 ARG A 30 -27.105 24.984 -11.752 1.00 0.00 N ATOM 442 NH2 ARG A 30 -26.324 25.370 -13.870 1.00 0.00 N ATOM 0 H ARG A 30 -21.888 22.211 -9.866 1.00 0.00 H new ATOM 0 HA ARG A 30 -23.556 23.443 -7.868 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -24.013 21.106 -9.778 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -25.265 21.871 -8.818 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -24.972 23.998 -10.030 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -23.594 23.357 -10.903 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -25.148 21.607 -11.920 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -26.493 22.434 -11.160 1.00 0.00 H new ATOM 0 HE ARG A 30 -24.961 23.321 -13.509 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -27.113 24.427 -10.897 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -27.687 25.819 -11.822 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -25.727 25.112 -14.656 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -26.911 26.202 -13.926 1.00 0.00 H new ATOM 456 N GLN A 31 -22.419 20.367 -7.380 1.00 0.00 N ATOM 457 CA GLN A 31 -22.128 19.340 -6.363 1.00 0.00 C ATOM 458 C GLN A 31 -21.191 19.903 -5.277 1.00 0.00 C ATOM 459 O GLN A 31 -21.289 19.523 -4.110 1.00 0.00 O ATOM 460 CB GLN A 31 -21.474 18.098 -7.027 1.00 0.00 C ATOM 461 CG GLN A 31 -22.327 17.410 -8.113 1.00 0.00 C ATOM 462 CD GLN A 31 -21.626 16.209 -8.756 1.00 0.00 C ATOM 463 OE1 GLN A 31 -21.771 15.074 -8.307 1.00 0.00 O ATOM 464 NE2 GLN A 31 -20.840 16.451 -9.788 1.00 0.00 N ATOM 0 H GLN A 31 -22.001 20.172 -8.290 1.00 0.00 H new ATOM 0 HA GLN A 31 -23.068 19.044 -5.897 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -20.525 18.400 -7.470 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -21.246 17.368 -6.250 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -23.268 17.081 -7.673 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -22.574 18.136 -8.887 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -20.739 17.403 -10.140 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -20.334 15.686 -10.234 1.00 0.00 H new ATOM 473 N LEU A 32 -20.306 20.836 -5.694 1.00 0.00 N ATOM 474 CA LEU A 32 -19.296 21.463 -4.820 1.00 0.00 C ATOM 475 C LEU A 32 -19.981 22.374 -3.805 1.00 0.00 C ATOM 476 O LEU A 32 -19.552 22.456 -2.664 1.00 0.00 O ATOM 477 CB LEU A 32 -18.262 22.269 -5.655 1.00 0.00 C ATOM 478 CG LEU A 32 -17.015 22.802 -4.879 1.00 0.00 C ATOM 479 CD1 LEU A 32 -16.168 21.638 -4.316 1.00 0.00 C ATOM 480 CD2 LEU A 32 -16.160 23.745 -5.765 1.00 0.00 C ATOM 0 H LEU A 32 -20.275 21.176 -6.655 1.00 0.00 H new ATOM 0 HA LEU A 32 -18.762 20.675 -4.290 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -17.913 21.637 -6.471 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -18.774 23.119 -6.106 1.00 0.00 H new ATOM 0 HG LEU A 32 -17.377 23.386 -4.033 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -15.307 22.040 -3.781 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -16.775 21.044 -3.633 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -15.824 21.008 -5.137 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -15.300 24.099 -5.196 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -15.814 23.203 -6.645 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -16.764 24.597 -6.077 1.00 0.00 H new ATOM 492 N SER A 33 -21.065 23.035 -4.246 1.00 0.00 N ATOM 493 CA SER A 33 -21.910 23.862 -3.373 1.00 0.00 C ATOM 494 C SER A 33 -22.559 22.994 -2.273 1.00 0.00 C ATOM 495 O SER A 33 -22.661 23.428 -1.127 1.00 0.00 O ATOM 496 CB SER A 33 -22.980 24.594 -4.211 1.00 0.00 C ATOM 497 OG SER A 33 -23.760 25.487 -3.420 1.00 0.00 O ATOM 0 H SER A 33 -21.378 23.010 -5.216 1.00 0.00 H new ATOM 0 HA SER A 33 -21.289 24.612 -2.883 1.00 0.00 H new ATOM 0 HB2 SER A 33 -22.494 25.150 -5.013 1.00 0.00 H new ATOM 0 HB3 SER A 33 -23.635 23.861 -4.682 1.00 0.00 H new ATOM 0 HG SER A 33 -24.424 25.931 -3.987 1.00 0.00 H new ATOM 503 N LEU A 34 -22.951 21.751 -2.637 1.00 0.00 N ATOM 504 CA LEU A 34 -23.493 20.757 -1.682 1.00 0.00 C ATOM 505 C LEU A 34 -22.388 20.263 -0.721 1.00 0.00 C ATOM 506 O LEU A 34 -22.657 19.938 0.441 1.00 0.00 O ATOM 507 CB LEU A 34 -24.099 19.537 -2.433 1.00 0.00 C ATOM 508 CG LEU A 34 -25.160 19.822 -3.548 1.00 0.00 C ATOM 509 CD1 LEU A 34 -25.743 18.496 -4.105 1.00 0.00 C ATOM 510 CD2 LEU A 34 -26.280 20.762 -3.046 1.00 0.00 C ATOM 0 H LEU A 34 -22.901 21.410 -3.597 1.00 0.00 H new ATOM 0 HA LEU A 34 -24.278 21.249 -1.108 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -23.278 18.980 -2.886 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -24.558 18.882 -1.693 1.00 0.00 H new ATOM 0 HG LEU A 34 -24.652 20.337 -4.363 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -26.478 18.718 -4.878 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -24.939 17.895 -4.530 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -26.222 17.942 -3.298 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -26.996 20.935 -3.849 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -26.789 20.302 -2.199 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -25.846 21.712 -2.736 1.00 0.00 H new ATOM 522 N ASP A 35 -21.150 20.184 -1.248 1.00 0.00 N ATOM 523 CA ASP A 35 -19.959 19.794 -0.472 1.00 0.00 C ATOM 524 C ASP A 35 -19.584 20.866 0.555 1.00 0.00 C ATOM 525 O ASP A 35 -19.026 20.546 1.599 1.00 0.00 O ATOM 526 CB ASP A 35 -18.754 19.489 -1.397 1.00 0.00 C ATOM 527 CG ASP A 35 -18.935 18.198 -2.217 1.00 0.00 C ATOM 528 OD1 ASP A 35 -19.242 17.139 -1.617 1.00 0.00 O ATOM 529 OD2 ASP A 35 -18.744 18.223 -3.451 1.00 0.00 O ATOM 0 H ASP A 35 -20.949 20.390 -2.227 1.00 0.00 H new ATOM 0 HA ASP A 35 -20.214 18.881 0.066 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -18.605 20.327 -2.078 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -17.851 19.405 -0.792 1.00 0.00 H new ATOM 534 N ILE A 36 -19.891 22.129 0.236 1.00 0.00 N ATOM 535 CA ILE A 36 -19.713 23.258 1.166 1.00 0.00 C ATOM 536 C ILE A 36 -20.839 23.252 2.222 1.00 0.00 C ATOM 537 O ILE A 36 -20.597 23.556 3.389 1.00 0.00 O ATOM 538 CB ILE A 36 -19.668 24.633 0.385 1.00 0.00 C ATOM 539 CG1 ILE A 36 -18.480 24.626 -0.644 1.00 0.00 C ATOM 540 CG2 ILE A 36 -19.559 25.854 1.349 1.00 0.00 C ATOM 541 CD1 ILE A 36 -18.468 25.782 -1.628 1.00 0.00 C ATOM 0 H ILE A 36 -20.269 22.400 -0.672 1.00 0.00 H new ATOM 0 HA ILE A 36 -18.758 23.143 1.678 1.00 0.00 H new ATOM 0 HB ILE A 36 -20.609 24.740 -0.155 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -17.541 24.632 -0.090 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -18.513 23.692 -1.206 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -19.531 26.775 0.767 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -20.422 25.871 2.014 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -18.647 25.771 1.940 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -17.610 25.685 -2.293 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -19.386 25.769 -2.215 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -18.399 26.723 -1.083 1.00 0.00 H new ATOM 553 N ASN A 37 -22.057 22.856 1.803 1.00 0.00 N ATOM 554 CA ASN A 37 -23.235 22.782 2.700 1.00 0.00 C ATOM 555 C ASN A 37 -23.062 21.684 3.778 1.00 0.00 C ATOM 556 O ASN A 37 -23.535 21.844 4.904 1.00 0.00 O ATOM 557 CB ASN A 37 -24.543 22.529 1.893 1.00 0.00 C ATOM 558 CG ASN A 37 -24.935 23.677 0.947 1.00 0.00 C ATOM 559 OD1 ASN A 37 -24.640 24.846 1.203 1.00 0.00 O ATOM 560 ND2 ASN A 37 -25.609 23.350 -0.154 1.00 0.00 N ATOM 0 H ASN A 37 -22.255 22.580 0.841 1.00 0.00 H new ATOM 0 HA ASN A 37 -23.313 23.747 3.201 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -24.425 21.617 1.309 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -25.360 22.356 2.593 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -25.895 24.076 -0.811 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -25.839 22.374 -0.340 1.00 0.00 H new ATOM 567 N LYS A 38 -22.376 20.575 3.427 1.00 0.00 N ATOM 568 CA LYS A 38 -22.137 19.449 4.371 1.00 0.00 C ATOM 569 C LYS A 38 -20.922 19.713 5.294 1.00 0.00 C ATOM 570 O LYS A 38 -20.592 18.866 6.132 1.00 0.00 O ATOM 571 CB LYS A 38 -21.957 18.097 3.614 1.00 0.00 C ATOM 572 CG LYS A 38 -20.698 18.016 2.718 1.00 0.00 C ATOM 573 CD LYS A 38 -20.442 16.601 2.135 1.00 0.00 C ATOM 574 CE LYS A 38 -21.569 16.107 1.212 1.00 0.00 C ATOM 575 NZ LYS A 38 -21.759 16.982 0.025 1.00 0.00 N ATOM 0 H LYS A 38 -21.976 20.430 2.500 1.00 0.00 H new ATOM 0 HA LYS A 38 -23.025 19.377 4.999 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -21.917 17.290 4.346 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -22.837 17.923 2.995 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -20.800 18.725 1.897 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -19.828 18.324 3.299 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -19.505 16.610 1.579 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -20.319 15.895 2.956 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -21.344 15.094 0.880 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -22.501 16.058 1.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -22.494 16.578 -0.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -22.050 17.931 0.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -20.865 17.050 -0.503 1.00 0.00 H new ATOM 589 N LEU A 39 -20.254 20.877 5.134 1.00 0.00 N ATOM 590 CA LEU A 39 -19.135 21.290 6.015 1.00 0.00 C ATOM 591 C LEU A 39 -19.682 21.896 7.336 1.00 0.00 C ATOM 592 O LEU A 39 -20.831 22.357 7.370 1.00 0.00 O ATOM 593 CB LEU A 39 -18.204 22.308 5.285 1.00 0.00 C ATOM 594 CG LEU A 39 -17.427 21.766 4.048 1.00 0.00 C ATOM 595 CD1 LEU A 39 -16.549 22.865 3.399 1.00 0.00 C ATOM 596 CD2 LEU A 39 -16.594 20.512 4.412 1.00 0.00 C ATOM 0 H LEU A 39 -20.471 21.551 4.400 1.00 0.00 H new ATOM 0 HA LEU A 39 -18.545 20.407 6.259 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -18.809 23.156 4.965 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -17.479 22.687 6.006 1.00 0.00 H new ATOM 0 HG LEU A 39 -18.165 21.464 3.305 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -16.022 22.450 2.540 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -17.182 23.691 3.073 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -15.824 23.229 4.127 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -16.064 20.158 3.528 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -15.874 20.767 5.189 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -17.258 19.727 4.775 1.00 0.00 H new ATOM 608 N PRO A 40 -18.888 21.859 8.464 1.00 0.00 N ATOM 609 CA PRO A 40 -19.246 22.574 9.723 1.00 0.00 C ATOM 610 C PRO A 40 -19.163 24.120 9.584 1.00 0.00 C ATOM 611 O PRO A 40 -18.571 24.633 8.625 1.00 0.00 O ATOM 612 CB PRO A 40 -18.235 22.012 10.754 1.00 0.00 C ATOM 613 CG PRO A 40 -17.061 21.581 9.931 1.00 0.00 C ATOM 614 CD PRO A 40 -17.624 21.081 8.621 1.00 0.00 C ATOM 0 HA PRO A 40 -20.282 22.407 10.017 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -17.951 22.769 11.485 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -18.659 21.176 11.310 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -16.374 22.412 9.768 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -16.498 20.797 10.437 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -16.937 21.261 7.794 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -17.814 20.008 8.650 1.00 0.00 H new ATOM 622 N GLY A 41 -19.740 24.829 10.584 1.00 0.00 N ATOM 623 CA GLY A 41 -20.049 26.270 10.513 1.00 0.00 C ATOM 624 C GLY A 41 -18.877 27.186 10.144 1.00 0.00 C ATOM 625 O GLY A 41 -18.994 28.011 9.224 1.00 0.00 O ATOM 0 H GLY A 41 -20.006 24.406 11.473 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -20.844 26.416 9.782 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -20.442 26.586 11.479 1.00 0.00 H new ATOM 629 N GLU A 42 -17.742 27.023 10.853 1.00 0.00 N ATOM 630 CA GLU A 42 -16.536 27.876 10.661 1.00 0.00 C ATOM 631 C GLU A 42 -15.821 27.566 9.322 1.00 0.00 C ATOM 632 O GLU A 42 -15.006 28.369 8.852 1.00 0.00 O ATOM 633 CB GLU A 42 -15.533 27.739 11.854 1.00 0.00 C ATOM 634 CG GLU A 42 -14.770 26.393 11.947 1.00 0.00 C ATOM 635 CD GLU A 42 -15.673 25.192 12.259 1.00 0.00 C ATOM 636 OE1 GLU A 42 -16.063 24.469 11.322 1.00 0.00 O ATOM 637 OE2 GLU A 42 -16.008 24.979 13.444 1.00 0.00 O ATOM 0 H GLU A 42 -17.628 26.306 11.569 1.00 0.00 H new ATOM 0 HA GLU A 42 -16.887 28.907 10.629 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -14.802 28.544 11.783 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -16.082 27.888 12.784 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -14.253 26.213 11.004 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -14.005 26.472 12.720 1.00 0.00 H new ATOM 644 N LYS A 43 -16.137 26.406 8.715 1.00 0.00 N ATOM 645 CA LYS A 43 -15.590 26.016 7.398 1.00 0.00 C ATOM 646 C LYS A 43 -16.380 26.694 6.272 1.00 0.00 C ATOM 647 O LYS A 43 -15.823 26.959 5.211 1.00 0.00 O ATOM 648 CB LYS A 43 -15.606 24.475 7.229 1.00 0.00 C ATOM 649 CG LYS A 43 -14.629 23.715 8.156 1.00 0.00 C ATOM 650 CD LYS A 43 -13.143 24.003 7.831 1.00 0.00 C ATOM 651 CE LYS A 43 -12.178 23.274 8.782 1.00 0.00 C ATOM 652 NZ LYS A 43 -12.425 21.810 8.797 1.00 0.00 N ATOM 0 H LYS A 43 -16.773 25.717 9.118 1.00 0.00 H new ATOM 0 HA LYS A 43 -14.554 26.349 7.343 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -16.617 24.113 7.414 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -15.365 24.234 6.194 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -14.829 23.991 9.191 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -14.814 22.644 8.070 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -12.934 23.700 6.805 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -12.963 25.077 7.890 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -11.150 23.467 8.476 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -12.290 23.673 9.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -11.666 21.335 9.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -13.339 21.617 9.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -12.444 21.451 7.821 1.00 0.00 H new ATOM 666 N LEU A 44 -17.673 26.991 6.518 1.00 0.00 N ATOM 667 CA LEU A 44 -18.478 27.831 5.596 1.00 0.00 C ATOM 668 C LEU A 44 -17.951 29.268 5.654 1.00 0.00 C ATOM 669 O LEU A 44 -17.692 29.882 4.627 1.00 0.00 O ATOM 670 CB LEU A 44 -20.004 27.802 5.923 1.00 0.00 C ATOM 671 CG LEU A 44 -20.805 26.562 5.404 1.00 0.00 C ATOM 672 CD1 LEU A 44 -20.304 25.262 6.038 1.00 0.00 C ATOM 673 CD2 LEU A 44 -22.333 26.742 5.623 1.00 0.00 C ATOM 0 H LEU A 44 -18.182 26.666 7.340 1.00 0.00 H new ATOM 0 HA LEU A 44 -18.372 27.422 4.591 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -20.122 27.856 7.005 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -20.459 28.701 5.507 1.00 0.00 H new ATOM 0 HG LEU A 44 -20.631 26.491 4.330 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -20.884 24.423 5.654 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -19.252 25.119 5.792 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -20.419 25.317 7.120 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -22.860 25.863 5.252 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -22.536 26.864 6.687 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -22.676 27.625 5.084 1.00 0.00 H new ATOM 685 N GLY A 45 -17.759 29.766 6.890 1.00 0.00 N ATOM 686 CA GLY A 45 -17.214 31.108 7.131 1.00 0.00 C ATOM 687 C GLY A 45 -15.770 31.283 6.644 1.00 0.00 C ATOM 688 O GLY A 45 -15.277 32.410 6.554 1.00 0.00 O ATOM 0 H GLY A 45 -17.977 29.250 7.742 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -17.847 31.843 6.634 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -17.256 31.321 8.199 1.00 0.00 H new ATOM 692 N ARG A 46 -15.095 30.158 6.338 1.00 0.00 N ATOM 693 CA ARG A 46 -13.721 30.145 5.809 1.00 0.00 C ATOM 694 C ARG A 46 -13.735 30.162 4.265 1.00 0.00 C ATOM 695 O ARG A 46 -13.030 30.969 3.641 1.00 0.00 O ATOM 696 CB ARG A 46 -12.970 28.889 6.353 1.00 0.00 C ATOM 697 CG ARG A 46 -11.458 28.783 6.012 1.00 0.00 C ATOM 698 CD ARG A 46 -10.594 29.926 6.596 1.00 0.00 C ATOM 699 NE ARG A 46 -10.761 31.200 5.855 1.00 0.00 N ATOM 700 CZ ARG A 46 -10.452 32.418 6.325 1.00 0.00 C ATOM 701 NH1 ARG A 46 -9.938 32.576 7.539 1.00 0.00 N ATOM 702 NH2 ARG A 46 -10.655 33.487 5.562 1.00 0.00 N ATOM 0 H ARG A 46 -15.493 29.226 6.453 1.00 0.00 H new ATOM 0 HA ARG A 46 -13.195 31.040 6.142 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -13.077 28.871 7.438 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -13.470 28.000 5.968 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -11.079 27.831 6.383 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -11.341 28.772 4.928 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -10.860 30.080 7.642 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -9.545 29.632 6.574 1.00 0.00 H new ATOM 0 HE ARG A 46 -11.142 31.146 4.910 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -9.772 31.763 8.132 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -9.710 33.510 7.878 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -11.044 33.379 4.625 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -10.422 34.416 5.913 1.00 0.00 H new ATOM 716 N VAL A 47 -14.551 29.263 3.668 1.00 0.00 N ATOM 717 CA VAL A 47 -14.657 29.094 2.200 1.00 0.00 C ATOM 718 C VAL A 47 -15.315 30.327 1.551 1.00 0.00 C ATOM 719 O VAL A 47 -14.749 30.931 0.638 1.00 0.00 O ATOM 720 CB VAL A 47 -15.455 27.777 1.826 1.00 0.00 C ATOM 721 CG1 VAL A 47 -15.750 27.688 0.310 1.00 0.00 C ATOM 722 CG2 VAL A 47 -14.695 26.511 2.306 1.00 0.00 C ATOM 0 H VAL A 47 -15.157 28.632 4.193 1.00 0.00 H new ATOM 0 HA VAL A 47 -13.645 28.996 1.807 1.00 0.00 H new ATOM 0 HB VAL A 47 -16.412 27.827 2.345 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -16.298 26.770 0.099 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -16.349 28.546 0.005 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -14.811 27.685 -0.244 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -15.264 25.621 2.037 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -13.715 26.473 1.830 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -14.572 26.549 3.388 1.00 0.00 H new ATOM 732 N VAL A 48 -16.504 30.688 2.052 1.00 0.00 N ATOM 733 CA VAL A 48 -17.295 31.837 1.561 1.00 0.00 C ATOM 734 C VAL A 48 -16.502 33.160 1.675 1.00 0.00 C ATOM 735 O VAL A 48 -16.663 34.046 0.833 1.00 0.00 O ATOM 736 CB VAL A 48 -18.672 31.940 2.346 1.00 0.00 C ATOM 737 CG1 VAL A 48 -19.447 33.246 2.039 1.00 0.00 C ATOM 738 CG2 VAL A 48 -19.558 30.695 2.060 1.00 0.00 C ATOM 0 H VAL A 48 -16.954 30.188 2.819 1.00 0.00 H new ATOM 0 HA VAL A 48 -17.507 31.669 0.505 1.00 0.00 H new ATOM 0 HB VAL A 48 -18.426 31.968 3.407 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -20.379 33.258 2.605 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -18.839 34.105 2.323 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -19.669 33.295 0.973 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -20.497 30.783 2.606 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -19.764 30.633 0.991 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -19.035 29.794 2.381 1.00 0.00 H new ATOM 748 N HIS A 49 -15.616 33.249 2.690 1.00 0.00 N ATOM 749 CA HIS A 49 -14.870 34.484 3.002 1.00 0.00 C ATOM 750 C HIS A 49 -13.946 34.926 1.846 1.00 0.00 C ATOM 751 O HIS A 49 -14.001 36.080 1.424 1.00 0.00 O ATOM 752 CB HIS A 49 -14.041 34.325 4.292 1.00 0.00 C ATOM 753 CG HIS A 49 -13.438 35.625 4.767 1.00 0.00 C ATOM 754 ND1 HIS A 49 -12.116 35.986 4.598 1.00 0.00 N ATOM 755 CD2 HIS A 49 -14.038 36.680 5.377 1.00 0.00 C ATOM 756 CE1 HIS A 49 -11.960 37.217 5.107 1.00 0.00 C ATOM 757 NE2 HIS A 49 -13.093 37.681 5.591 1.00 0.00 N ATOM 0 H HIS A 49 -15.399 32.470 3.312 1.00 0.00 H new ATOM 0 HA HIS A 49 -15.620 35.261 3.148 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -14.676 33.916 5.078 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -13.244 33.602 4.119 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -15.081 36.734 5.652 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -11.025 37.758 5.118 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -13.247 38.588 6.032 1.00 0.00 H new ATOM 765 N ILE A 50 -13.108 33.993 1.349 1.00 0.00 N ATOM 766 CA ILE A 50 -12.117 34.283 0.280 1.00 0.00 C ATOM 767 C ILE A 50 -12.824 34.642 -1.050 1.00 0.00 C ATOM 768 O ILE A 50 -12.311 35.436 -1.847 1.00 0.00 O ATOM 769 CB ILE A 50 -11.119 33.071 0.061 1.00 0.00 C ATOM 770 CG1 ILE A 50 -11.871 31.777 -0.414 1.00 0.00 C ATOM 771 CG2 ILE A 50 -10.300 32.792 1.357 1.00 0.00 C ATOM 772 CD1 ILE A 50 -10.972 30.628 -0.831 1.00 0.00 C ATOM 0 H ILE A 50 -13.095 33.025 1.670 1.00 0.00 H new ATOM 0 HA ILE A 50 -11.533 35.143 0.608 1.00 0.00 H new ATOM 0 HB ILE A 50 -10.427 33.354 -0.732 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -12.520 31.436 0.392 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -12.515 32.037 -1.254 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -9.621 31.957 1.186 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -9.724 33.679 1.622 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -10.981 32.545 2.172 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -11.584 29.781 -1.142 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -10.340 30.943 -1.661 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -10.345 30.333 0.010 1.00 0.00 H new ATOM 784 N ILE A 51 -14.014 34.050 -1.244 1.00 0.00 N ATOM 785 CA ILE A 51 -14.849 34.243 -2.445 1.00 0.00 C ATOM 786 C ILE A 51 -15.480 35.651 -2.458 1.00 0.00 C ATOM 787 O ILE A 51 -15.402 36.371 -3.464 1.00 0.00 O ATOM 788 CB ILE A 51 -15.974 33.136 -2.486 1.00 0.00 C ATOM 789 CG1 ILE A 51 -15.318 31.716 -2.578 1.00 0.00 C ATOM 790 CG2 ILE A 51 -16.997 33.358 -3.641 1.00 0.00 C ATOM 791 CD1 ILE A 51 -16.280 30.556 -2.415 1.00 0.00 C ATOM 0 H ILE A 51 -14.430 33.415 -0.563 1.00 0.00 H new ATOM 0 HA ILE A 51 -14.219 34.152 -3.330 1.00 0.00 H new ATOM 0 HB ILE A 51 -16.543 33.211 -1.559 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -14.821 31.624 -3.544 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -14.546 31.639 -1.813 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -17.747 32.567 -3.620 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -17.485 34.324 -3.514 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -16.475 33.338 -4.598 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -15.733 29.616 -2.494 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -16.760 30.616 -1.438 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -17.039 30.601 -3.196 1.00 0.00 H new ATOM 803 N GLN A 52 -16.095 36.026 -1.318 1.00 0.00 N ATOM 804 CA GLN A 52 -16.836 37.296 -1.181 1.00 0.00 C ATOM 805 C GLN A 52 -15.861 38.494 -1.070 1.00 0.00 C ATOM 806 O GLN A 52 -16.190 39.607 -1.479 1.00 0.00 O ATOM 807 CB GLN A 52 -17.795 37.253 0.041 1.00 0.00 C ATOM 808 CG GLN A 52 -17.110 37.243 1.422 1.00 0.00 C ATOM 809 CD GLN A 52 -18.086 37.470 2.580 1.00 0.00 C ATOM 810 OE1 GLN A 52 -18.325 38.602 2.997 1.00 0.00 O ATOM 811 NE2 GLN A 52 -18.664 36.403 3.094 1.00 0.00 N ATOM 0 H GLN A 52 -16.092 35.459 -0.470 1.00 0.00 H new ATOM 0 HA GLN A 52 -17.439 37.430 -2.079 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -18.459 38.116 -0.010 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -18.421 36.364 -0.041 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -16.605 36.288 1.563 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -16.342 38.016 1.445 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -18.445 35.477 2.726 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -19.331 36.503 3.860 1.00 0.00 H new ATOM 820 N ALA A 53 -14.658 38.240 -0.513 1.00 0.00 N ATOM 821 CA ALA A 53 -13.585 39.251 -0.402 1.00 0.00 C ATOM 822 C ALA A 53 -13.077 39.640 -1.798 1.00 0.00 C ATOM 823 O ALA A 53 -12.734 40.801 -2.052 1.00 0.00 O ATOM 824 CB ALA A 53 -12.433 38.715 0.474 1.00 0.00 C ATOM 0 H ALA A 53 -14.404 37.330 -0.128 1.00 0.00 H new ATOM 0 HA ALA A 53 -13.988 40.144 0.076 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -11.650 39.470 0.547 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -12.810 38.486 1.471 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -12.024 37.810 0.024 1.00 0.00 H new ATOM 830 N ARG A 54 -13.061 38.638 -2.694 1.00 0.00 N ATOM 831 CA ARG A 54 -12.611 38.794 -4.083 1.00 0.00 C ATOM 832 C ARG A 54 -13.680 39.513 -4.929 1.00 0.00 C ATOM 833 O ARG A 54 -13.359 40.423 -5.701 1.00 0.00 O ATOM 834 CB ARG A 54 -12.288 37.401 -4.676 1.00 0.00 C ATOM 835 CG ARG A 54 -11.600 37.441 -6.054 1.00 0.00 C ATOM 836 CD ARG A 54 -11.205 36.046 -6.558 1.00 0.00 C ATOM 837 NE ARG A 54 -10.362 35.316 -5.587 1.00 0.00 N ATOM 838 CZ ARG A 54 -9.018 35.326 -5.562 1.00 0.00 C ATOM 839 NH1 ARG A 54 -8.326 36.006 -6.469 1.00 0.00 N ATOM 840 NH2 ARG A 54 -8.376 34.650 -4.622 1.00 0.00 N ATOM 0 H ARG A 54 -13.363 37.690 -2.470 1.00 0.00 H new ATOM 0 HA ARG A 54 -11.711 39.408 -4.099 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -11.647 36.862 -3.979 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -13.214 36.832 -4.762 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -12.269 37.908 -6.777 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -10.710 38.067 -5.993 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -12.106 35.467 -6.761 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -10.668 36.142 -7.502 1.00 0.00 H new ATOM 0 HE ARG A 54 -10.839 34.759 -4.878 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -8.814 36.529 -7.196 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -7.306 36.005 -6.439 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -8.901 34.126 -3.922 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -7.356 34.654 -4.598 1.00 0.00 H new ATOM 854 N GLU A 55 -14.946 39.087 -4.771 1.00 0.00 N ATOM 855 CA GLU A 55 -16.105 39.679 -5.473 1.00 0.00 C ATOM 856 C GLU A 55 -16.864 40.640 -4.527 1.00 0.00 C ATOM 857 O GLU A 55 -17.690 40.184 -3.725 1.00 0.00 O ATOM 858 CB GLU A 55 -17.044 38.561 -6.010 1.00 0.00 C ATOM 859 CG GLU A 55 -16.431 37.693 -7.127 1.00 0.00 C ATOM 860 CD GLU A 55 -16.054 38.494 -8.390 1.00 0.00 C ATOM 861 OE1 GLU A 55 -16.964 38.891 -9.149 1.00 0.00 O ATOM 862 OE2 GLU A 55 -14.848 38.739 -8.631 1.00 0.00 O ATOM 0 H GLU A 55 -15.198 38.318 -4.150 1.00 0.00 H new ATOM 0 HA GLU A 55 -15.747 40.253 -6.327 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -17.330 37.914 -5.180 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -17.958 39.021 -6.385 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -15.541 37.195 -6.743 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -17.140 36.912 -7.400 1.00 0.00 H new ATOM 869 N PRO A 56 -16.602 41.995 -4.613 1.00 0.00 N ATOM 870 CA PRO A 56 -17.143 42.990 -3.647 1.00 0.00 C ATOM 871 C PRO A 56 -18.679 43.179 -3.738 1.00 0.00 C ATOM 872 O PRO A 56 -19.277 43.816 -2.865 1.00 0.00 O ATOM 873 CB PRO A 56 -16.371 44.293 -4.001 1.00 0.00 C ATOM 874 CG PRO A 56 -16.037 44.142 -5.453 1.00 0.00 C ATOM 875 CD PRO A 56 -15.764 42.664 -5.656 1.00 0.00 C ATOM 0 HA PRO A 56 -16.998 42.669 -2.615 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -16.982 45.178 -3.823 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -15.471 44.400 -3.395 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -16.861 44.479 -6.082 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -15.167 44.742 -5.720 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -16.042 42.341 -6.659 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -14.707 42.432 -5.528 1.00 0.00 H new ATOM 883 N SER A 57 -19.295 42.622 -4.795 1.00 0.00 N ATOM 884 CA SER A 57 -20.758 42.590 -4.957 1.00 0.00 C ATOM 885 C SER A 57 -21.378 41.559 -3.989 1.00 0.00 C ATOM 886 O SER A 57 -22.368 41.852 -3.303 1.00 0.00 O ATOM 887 CB SER A 57 -21.105 42.245 -6.429 1.00 0.00 C ATOM 888 OG SER A 57 -22.503 42.222 -6.671 1.00 0.00 O ATOM 0 H SER A 57 -18.790 42.180 -5.563 1.00 0.00 H new ATOM 0 HA SER A 57 -21.173 43.569 -4.718 1.00 0.00 H new ATOM 0 HB2 SER A 57 -20.638 42.976 -7.089 1.00 0.00 H new ATOM 0 HB3 SER A 57 -20.681 41.273 -6.680 1.00 0.00 H new ATOM 0 HG SER A 57 -22.669 42.002 -7.611 1.00 0.00 H new ATOM 894 N LEU A 58 -20.740 40.376 -3.900 1.00 0.00 N ATOM 895 CA LEU A 58 -21.286 39.217 -3.162 1.00 0.00 C ATOM 896 C LEU A 58 -21.136 39.364 -1.634 1.00 0.00 C ATOM 897 O LEU A 58 -21.930 38.796 -0.882 1.00 0.00 O ATOM 898 CB LEU A 58 -20.621 37.899 -3.650 1.00 0.00 C ATOM 899 CG LEU A 58 -20.812 37.547 -5.172 1.00 0.00 C ATOM 900 CD1 LEU A 58 -20.137 36.195 -5.533 1.00 0.00 C ATOM 901 CD2 LEU A 58 -22.315 37.551 -5.577 1.00 0.00 C ATOM 0 H LEU A 58 -19.835 40.196 -4.335 1.00 0.00 H new ATOM 0 HA LEU A 58 -22.354 39.179 -3.374 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -19.552 37.957 -3.443 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -21.016 37.075 -3.056 1.00 0.00 H new ATOM 0 HG LEU A 58 -20.315 38.328 -5.748 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -20.289 35.984 -6.591 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -19.069 36.255 -5.324 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -20.579 35.397 -4.937 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -22.408 37.304 -6.635 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -22.854 36.813 -4.983 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -22.738 38.540 -5.397 1.00 0.00 H new ATOM 913 N ARG A 59 -20.123 40.139 -1.181 1.00 0.00 N ATOM 914 CA ARG A 59 -19.845 40.314 0.271 1.00 0.00 C ATOM 915 C ARG A 59 -20.926 41.131 0.998 1.00 0.00 C ATOM 916 O ARG A 59 -21.012 41.091 2.231 1.00 0.00 O ATOM 917 CB ARG A 59 -18.408 40.889 0.525 1.00 0.00 C ATOM 918 CG ARG A 59 -18.019 42.219 -0.178 1.00 0.00 C ATOM 919 CD ARG A 59 -18.673 43.475 0.430 1.00 0.00 C ATOM 920 NE ARG A 59 -18.500 43.514 1.891 1.00 0.00 N ATOM 921 CZ ARG A 59 -19.249 44.233 2.737 1.00 0.00 C ATOM 922 NH1 ARG A 59 -20.220 45.021 2.299 1.00 0.00 N ATOM 923 NH2 ARG A 59 -19.015 44.165 4.035 1.00 0.00 N ATOM 0 H ARG A 59 -19.487 40.651 -1.792 1.00 0.00 H new ATOM 0 HA ARG A 59 -19.879 39.316 0.707 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -18.291 41.033 1.599 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -17.687 40.129 0.225 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -16.936 42.333 -0.139 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -18.295 42.154 -1.230 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -18.233 44.368 -0.014 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -19.735 43.488 0.187 1.00 0.00 H new ATOM 0 HE ARG A 59 -17.751 42.949 2.291 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -20.410 45.089 1.299 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -20.778 45.560 2.962 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -18.267 43.567 4.388 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -19.582 44.710 4.685 1.00 0.00 H new ATOM 937 N ASP A 60 -21.734 41.887 0.221 1.00 0.00 N ATOM 938 CA ASP A 60 -22.794 42.748 0.777 1.00 0.00 C ATOM 939 C ASP A 60 -23.932 41.892 1.364 1.00 0.00 C ATOM 940 O ASP A 60 -24.495 42.226 2.414 1.00 0.00 O ATOM 941 CB ASP A 60 -23.352 43.702 -0.313 1.00 0.00 C ATOM 942 CG ASP A 60 -24.349 44.742 0.241 1.00 0.00 C ATOM 943 OD1 ASP A 60 -25.577 44.576 0.068 1.00 0.00 O ATOM 944 OD2 ASP A 60 -23.904 45.708 0.888 1.00 0.00 O ATOM 0 H ASP A 60 -21.669 41.916 -0.797 1.00 0.00 H new ATOM 0 HA ASP A 60 -22.360 43.349 1.576 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -22.522 44.223 -0.790 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -23.845 43.112 -1.086 1.00 0.00 H new ATOM 949 N SER A 61 -24.254 40.786 0.668 1.00 0.00 N ATOM 950 CA SER A 61 -25.257 39.812 1.123 1.00 0.00 C ATOM 951 C SER A 61 -24.665 38.935 2.236 1.00 0.00 C ATOM 952 O SER A 61 -23.469 38.603 2.199 1.00 0.00 O ATOM 953 CB SER A 61 -25.742 38.948 -0.069 1.00 0.00 C ATOM 954 OG SER A 61 -24.664 38.317 -0.745 1.00 0.00 O ATOM 0 H SER A 61 -23.825 40.545 -0.225 1.00 0.00 H new ATOM 0 HA SER A 61 -26.118 40.344 1.527 1.00 0.00 H new ATOM 0 HB2 SER A 61 -26.436 38.189 0.292 1.00 0.00 H new ATOM 0 HB3 SER A 61 -26.292 39.575 -0.771 1.00 0.00 H new ATOM 0 HG SER A 61 -23.815 38.684 -0.421 1.00 0.00 H new ATOM 960 N ASN A 62 -25.514 38.578 3.213 1.00 0.00 N ATOM 961 CA ASN A 62 -25.130 37.745 4.374 1.00 0.00 C ATOM 962 C ASN A 62 -24.819 36.298 3.907 1.00 0.00 C ATOM 963 O ASN A 62 -25.310 35.904 2.856 1.00 0.00 O ATOM 964 CB ASN A 62 -26.278 37.759 5.437 1.00 0.00 C ATOM 965 CG ASN A 62 -26.499 39.118 6.141 1.00 0.00 C ATOM 966 OD1 ASN A 62 -26.861 39.166 7.314 1.00 0.00 O ATOM 967 ND2 ASN A 62 -26.330 40.227 5.432 1.00 0.00 N ATOM 0 H ASN A 62 -26.494 38.859 3.223 1.00 0.00 H new ATOM 0 HA ASN A 62 -24.231 38.154 4.835 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -27.207 37.463 4.950 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -26.061 37.005 6.194 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -26.501 41.137 5.860 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -26.029 40.169 4.459 1.00 0.00 H new ATOM 974 N PRO A 63 -24.010 35.481 4.669 1.00 0.00 N ATOM 975 CA PRO A 63 -23.600 34.108 4.232 1.00 0.00 C ATOM 976 C PRO A 63 -24.782 33.110 4.060 1.00 0.00 C ATOM 977 O PRO A 63 -24.603 32.039 3.470 1.00 0.00 O ATOM 978 CB PRO A 63 -22.602 33.659 5.340 1.00 0.00 C ATOM 979 CG PRO A 63 -22.986 34.473 6.538 1.00 0.00 C ATOM 980 CD PRO A 63 -23.405 35.821 5.990 1.00 0.00 C ATOM 0 HA PRO A 63 -23.162 34.123 3.234 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -22.686 32.591 5.542 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -21.570 33.848 5.045 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -23.801 34.002 7.088 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -22.150 34.573 7.230 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -24.122 36.317 6.645 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -22.554 36.493 5.882 1.00 0.00 H new ATOM 988 N GLU A 64 -25.974 33.461 4.582 1.00 0.00 N ATOM 989 CA GLU A 64 -27.214 32.678 4.351 1.00 0.00 C ATOM 990 C GLU A 64 -27.893 33.108 3.037 1.00 0.00 C ATOM 991 O GLU A 64 -28.560 32.307 2.366 1.00 0.00 O ATOM 992 CB GLU A 64 -28.188 32.857 5.545 1.00 0.00 C ATOM 993 CG GLU A 64 -27.651 32.315 6.890 1.00 0.00 C ATOM 994 CD GLU A 64 -28.636 32.528 8.056 1.00 0.00 C ATOM 995 OE1 GLU A 64 -29.487 31.649 8.303 1.00 0.00 O ATOM 996 OE2 GLU A 64 -28.569 33.587 8.721 1.00 0.00 O ATOM 0 H GLU A 64 -26.109 34.284 5.169 1.00 0.00 H new ATOM 0 HA GLU A 64 -26.947 31.624 4.268 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -28.415 33.917 5.658 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -29.126 32.353 5.312 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -27.439 31.250 6.789 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -26.707 32.807 7.124 1.00 0.00 H new ATOM 1003 N GLU A 65 -27.724 34.393 2.693 1.00 0.00 N ATOM 1004 CA GLU A 65 -28.326 34.999 1.488 1.00 0.00 C ATOM 1005 C GLU A 65 -27.428 34.800 0.253 1.00 0.00 C ATOM 1006 O GLU A 65 -27.925 34.771 -0.877 1.00 0.00 O ATOM 1007 CB GLU A 65 -28.538 36.522 1.704 1.00 0.00 C ATOM 1008 CG GLU A 65 -29.282 36.899 3.001 1.00 0.00 C ATOM 1009 CD GLU A 65 -29.552 38.411 3.113 1.00 0.00 C ATOM 1010 OE1 GLU A 65 -30.721 38.834 3.000 1.00 0.00 O ATOM 1011 OE2 GLU A 65 -28.582 39.188 3.284 1.00 0.00 O ATOM 0 H GLU A 65 -27.165 35.046 3.242 1.00 0.00 H new ATOM 0 HA GLU A 65 -29.282 34.505 1.317 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -27.565 37.012 1.706 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -29.094 36.920 0.855 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -30.229 36.361 3.041 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -28.694 36.574 3.860 1.00 0.00 H new ATOM 1018 N ILE A 66 -26.113 34.671 0.497 1.00 0.00 N ATOM 1019 CA ILE A 66 -25.077 34.724 -0.549 1.00 0.00 C ATOM 1020 C ILE A 66 -25.165 33.507 -1.497 1.00 0.00 C ATOM 1021 O ILE A 66 -25.674 32.437 -1.121 1.00 0.00 O ATOM 1022 CB ILE A 66 -23.628 34.821 0.095 1.00 0.00 C ATOM 1023 CG1 ILE A 66 -22.569 35.345 -0.933 1.00 0.00 C ATOM 1024 CG2 ILE A 66 -23.177 33.455 0.688 1.00 0.00 C ATOM 1025 CD1 ILE A 66 -21.167 35.543 -0.375 1.00 0.00 C ATOM 0 H ILE A 66 -25.736 34.526 1.433 1.00 0.00 H new ATOM 0 HA ILE A 66 -25.256 35.622 -1.140 1.00 0.00 H new ATOM 0 HB ILE A 66 -23.692 35.543 0.909 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -22.516 34.643 -1.765 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -22.919 36.294 -1.339 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -22.182 33.557 1.120 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -23.879 33.145 1.462 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -23.154 32.705 -0.103 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -20.509 35.907 -1.164 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -21.198 36.270 0.436 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -20.788 34.593 0.003 1.00 0.00 H new ATOM 1037 N GLU A 67 -24.669 33.691 -2.724 1.00 0.00 N ATOM 1038 CA GLU A 67 -24.544 32.616 -3.704 1.00 0.00 C ATOM 1039 C GLU A 67 -23.175 32.725 -4.371 1.00 0.00 C ATOM 1040 O GLU A 67 -22.743 33.822 -4.763 1.00 0.00 O ATOM 1041 CB GLU A 67 -25.689 32.696 -4.741 1.00 0.00 C ATOM 1042 CG GLU A 67 -25.758 31.505 -5.725 1.00 0.00 C ATOM 1043 CD GLU A 67 -27.043 31.529 -6.561 1.00 0.00 C ATOM 1044 OE1 GLU A 67 -28.118 31.178 -6.019 1.00 0.00 O ATOM 1045 OE2 GLU A 67 -27.001 31.941 -7.739 1.00 0.00 O ATOM 0 H GLU A 67 -24.342 34.595 -3.064 1.00 0.00 H new ATOM 0 HA GLU A 67 -24.624 31.647 -3.212 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -26.638 32.765 -4.209 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -25.577 33.616 -5.314 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -24.893 31.531 -6.388 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -25.705 30.570 -5.168 1.00 0.00 H new ATOM 1052 N ILE A 68 -22.488 31.578 -4.474 1.00 0.00 N ATOM 1053 CA ILE A 68 -21.162 31.499 -5.080 1.00 0.00 C ATOM 1054 C ILE A 68 -21.338 31.365 -6.592 1.00 0.00 C ATOM 1055 O ILE A 68 -21.552 30.261 -7.102 1.00 0.00 O ATOM 1056 CB ILE A 68 -20.339 30.280 -4.509 1.00 0.00 C ATOM 1057 CG1 ILE A 68 -20.267 30.344 -2.945 1.00 0.00 C ATOM 1058 CG2 ILE A 68 -18.917 30.219 -5.138 1.00 0.00 C ATOM 1059 CD1 ILE A 68 -19.603 29.146 -2.287 1.00 0.00 C ATOM 0 H ILE A 68 -22.841 30.682 -4.138 1.00 0.00 H new ATOM 0 HA ILE A 68 -20.600 32.402 -4.842 1.00 0.00 H new ATOM 0 HB ILE A 68 -20.858 29.362 -4.784 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -19.726 31.245 -2.657 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -21.279 30.441 -2.553 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -18.373 29.369 -4.726 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -19.002 30.106 -6.219 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -18.379 31.139 -4.911 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -19.600 29.280 -1.205 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -20.155 28.240 -2.539 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -18.577 29.057 -2.645 1.00 0.00 H new ATOM 1071 N ASP A 69 -21.352 32.504 -7.286 1.00 0.00 N ATOM 1072 CA ASP A 69 -21.388 32.532 -8.746 1.00 0.00 C ATOM 1073 C ASP A 69 -19.988 32.180 -9.266 1.00 0.00 C ATOM 1074 O ASP A 69 -19.070 33.009 -9.246 1.00 0.00 O ATOM 1075 CB ASP A 69 -21.858 33.911 -9.246 1.00 0.00 C ATOM 1076 CG ASP A 69 -23.265 34.284 -8.756 1.00 0.00 C ATOM 1077 OD1 ASP A 69 -23.385 34.875 -7.664 1.00 0.00 O ATOM 1078 OD2 ASP A 69 -24.259 33.985 -9.461 1.00 0.00 O ATOM 0 H ASP A 69 -21.339 33.428 -6.853 1.00 0.00 H new ATOM 0 HA ASP A 69 -22.102 31.801 -9.126 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -21.151 34.671 -8.914 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -21.846 33.919 -10.336 1.00 0.00 H new ATOM 1083 N PHE A 70 -19.837 30.921 -9.681 1.00 0.00 N ATOM 1084 CA PHE A 70 -18.539 30.340 -10.062 1.00 0.00 C ATOM 1085 C PHE A 70 -17.988 30.960 -11.360 1.00 0.00 C ATOM 1086 O PHE A 70 -16.771 31.016 -11.553 1.00 0.00 O ATOM 1087 CB PHE A 70 -18.665 28.800 -10.208 1.00 0.00 C ATOM 1088 CG PHE A 70 -19.080 28.070 -8.917 1.00 0.00 C ATOM 1089 CD1 PHE A 70 -18.125 27.665 -7.984 1.00 0.00 C ATOM 1090 CD2 PHE A 70 -20.418 27.768 -8.654 1.00 0.00 C ATOM 1091 CE1 PHE A 70 -18.491 26.990 -6.836 1.00 0.00 C ATOM 1092 CE2 PHE A 70 -20.785 27.096 -7.501 1.00 0.00 C ATOM 1093 CZ PHE A 70 -19.820 26.704 -6.593 1.00 0.00 C ATOM 0 H PHE A 70 -20.615 30.267 -9.764 1.00 0.00 H new ATOM 0 HA PHE A 70 -17.829 30.569 -9.267 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -19.396 28.580 -10.986 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -17.709 28.400 -10.546 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -17.082 27.883 -8.162 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -21.178 28.064 -9.362 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -17.736 26.685 -6.127 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -21.826 26.878 -7.311 1.00 0.00 H new ATOM 0 HZ PHE A 70 -20.104 26.175 -5.695 1.00 0.00 H new ATOM 1103 N GLU A 71 -18.892 31.439 -12.232 1.00 0.00 N ATOM 1104 CA GLU A 71 -18.510 31.999 -13.544 1.00 0.00 C ATOM 1105 C GLU A 71 -17.974 33.442 -13.407 1.00 0.00 C ATOM 1106 O GLU A 71 -17.100 33.857 -14.180 1.00 0.00 O ATOM 1107 CB GLU A 71 -19.710 31.927 -14.521 1.00 0.00 C ATOM 1108 CG GLU A 71 -19.371 32.285 -15.994 1.00 0.00 C ATOM 1109 CD GLU A 71 -20.579 32.179 -16.943 1.00 0.00 C ATOM 1110 OE1 GLU A 71 -21.309 33.179 -17.107 1.00 0.00 O ATOM 1111 OE2 GLU A 71 -20.820 31.092 -17.507 1.00 0.00 O ATOM 0 H GLU A 71 -19.896 31.450 -12.053 1.00 0.00 H new ATOM 0 HA GLU A 71 -17.698 31.398 -13.954 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -20.124 30.919 -14.493 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -20.490 32.602 -14.168 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -18.977 33.301 -16.032 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -18.581 31.623 -16.348 1.00 0.00 H new ATOM 1118 N THR A 72 -18.488 34.202 -12.410 1.00 0.00 N ATOM 1119 CA THR A 72 -17.988 35.569 -12.125 1.00 0.00 C ATOM 1120 C THR A 72 -16.627 35.502 -11.396 1.00 0.00 C ATOM 1121 O THR A 72 -15.871 36.479 -11.388 1.00 0.00 O ATOM 1122 CB THR A 72 -19.010 36.449 -11.313 1.00 0.00 C ATOM 1123 OG1 THR A 72 -18.662 37.832 -11.454 1.00 0.00 O ATOM 1124 CG2 THR A 72 -19.054 36.117 -9.807 1.00 0.00 C ATOM 0 H THR A 72 -19.242 33.895 -11.795 1.00 0.00 H new ATOM 0 HA THR A 72 -17.860 36.061 -13.089 1.00 0.00 H new ATOM 0 HB THR A 72 -19.995 36.231 -11.726 1.00 0.00 H new ATOM 0 HG1 THR A 72 -18.121 38.113 -10.687 1.00 0.00 H new ATOM 0 HG21 THR A 72 -19.780 36.763 -9.313 1.00 0.00 H new ATOM 0 HG22 THR A 72 -19.345 35.075 -9.672 1.00 0.00 H new ATOM 0 HG23 THR A 72 -18.069 36.278 -9.370 1.00 0.00 H new ATOM 1132 N LEU A 73 -16.352 34.340 -10.766 1.00 0.00 N ATOM 1133 CA LEU A 73 -15.024 33.998 -10.235 1.00 0.00 C ATOM 1134 C LEU A 73 -14.095 33.593 -11.392 1.00 0.00 C ATOM 1135 O LEU A 73 -14.567 33.108 -12.430 1.00 0.00 O ATOM 1136 CB LEU A 73 -15.133 32.835 -9.211 1.00 0.00 C ATOM 1137 CG LEU A 73 -15.962 33.132 -7.917 1.00 0.00 C ATOM 1138 CD1 LEU A 73 -16.116 31.863 -7.043 1.00 0.00 C ATOM 1139 CD2 LEU A 73 -15.339 34.290 -7.098 1.00 0.00 C ATOM 0 H LEU A 73 -17.051 33.613 -10.613 1.00 0.00 H new ATOM 0 HA LEU A 73 -14.611 34.870 -9.727 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -15.578 31.976 -9.714 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -14.125 32.544 -8.914 1.00 0.00 H new ATOM 0 HG LEU A 73 -16.956 33.445 -8.235 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -16.696 32.103 -6.152 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -16.629 31.089 -7.613 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -15.131 31.503 -6.748 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -15.940 34.470 -6.206 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -14.324 34.023 -6.804 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -15.314 35.194 -7.707 1.00 0.00 H new ATOM 1151 N LYS A 74 -12.779 33.793 -11.209 1.00 0.00 N ATOM 1152 CA LYS A 74 -11.779 33.410 -12.226 1.00 0.00 C ATOM 1153 C LYS A 74 -11.562 31.878 -12.224 1.00 0.00 C ATOM 1154 O LYS A 74 -11.844 31.223 -11.215 1.00 0.00 O ATOM 1155 CB LYS A 74 -10.437 34.158 -11.985 1.00 0.00 C ATOM 1156 CG LYS A 74 -10.571 35.700 -11.950 1.00 0.00 C ATOM 1157 CD LYS A 74 -9.227 36.437 -12.151 1.00 0.00 C ATOM 1158 CE LYS A 74 -9.371 37.967 -12.031 1.00 0.00 C ATOM 1159 NZ LYS A 74 -10.440 38.509 -12.912 1.00 0.00 N ATOM 0 H LYS A 74 -12.382 34.216 -10.370 1.00 0.00 H new ATOM 0 HA LYS A 74 -12.157 33.700 -13.206 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -10.009 33.820 -11.041 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -9.734 33.883 -12.771 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -11.269 36.014 -12.726 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -11.001 35.998 -10.994 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -8.508 36.084 -11.412 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -8.823 36.189 -13.133 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -9.591 38.228 -10.996 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -8.422 38.439 -12.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.408 39.548 -12.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.293 38.171 -13.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -11.368 38.187 -12.570 1.00 0.00 H new ATOM 1173 N PRO A 75 -11.079 31.279 -13.361 1.00 0.00 N ATOM 1174 CA PRO A 75 -10.710 29.837 -13.419 1.00 0.00 C ATOM 1175 C PRO A 75 -9.679 29.443 -12.337 1.00 0.00 C ATOM 1176 O PRO A 75 -9.756 28.359 -11.756 1.00 0.00 O ATOM 1177 CB PRO A 75 -10.102 29.685 -14.836 1.00 0.00 C ATOM 1178 CG PRO A 75 -10.736 30.781 -15.642 1.00 0.00 C ATOM 1179 CD PRO A 75 -10.899 31.939 -14.689 1.00 0.00 C ATOM 0 HA PRO A 75 -11.566 29.188 -13.234 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -9.017 29.786 -14.814 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -10.322 28.705 -15.258 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -10.110 31.056 -16.491 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -11.699 30.466 -16.045 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -10.026 32.591 -14.697 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -11.759 32.555 -14.950 1.00 0.00 H new ATOM 1187 N SER A 76 -8.731 30.365 -12.096 1.00 0.00 N ATOM 1188 CA SER A 76 -7.666 30.216 -11.093 1.00 0.00 C ATOM 1189 C SER A 76 -8.229 30.325 -9.656 1.00 0.00 C ATOM 1190 O SER A 76 -7.720 29.672 -8.737 1.00 0.00 O ATOM 1191 CB SER A 76 -6.587 31.290 -11.347 1.00 0.00 C ATOM 1192 OG SER A 76 -6.152 31.258 -12.700 1.00 0.00 O ATOM 0 H SER A 76 -8.684 31.249 -12.602 1.00 0.00 H new ATOM 0 HA SER A 76 -7.222 29.225 -11.187 1.00 0.00 H new ATOM 0 HB2 SER A 76 -6.987 32.276 -11.112 1.00 0.00 H new ATOM 0 HB3 SER A 76 -5.738 31.124 -10.683 1.00 0.00 H new ATOM 0 HG SER A 76 -5.470 31.947 -12.841 1.00 0.00 H new ATOM 1198 N THR A 77 -9.280 31.161 -9.485 1.00 0.00 N ATOM 1199 CA THR A 77 -10.028 31.270 -8.213 1.00 0.00 C ATOM 1200 C THR A 77 -10.712 29.934 -7.880 1.00 0.00 C ATOM 1201 O THR A 77 -10.648 29.456 -6.746 1.00 0.00 O ATOM 1202 CB THR A 77 -11.116 32.399 -8.291 1.00 0.00 C ATOM 1203 OG1 THR A 77 -10.507 33.657 -8.614 1.00 0.00 O ATOM 1204 CG2 THR A 77 -11.932 32.539 -6.987 1.00 0.00 C ATOM 0 H THR A 77 -9.630 31.775 -10.221 1.00 0.00 H new ATOM 0 HA THR A 77 -9.313 31.523 -7.430 1.00 0.00 H new ATOM 0 HB THR A 77 -11.810 32.106 -9.079 1.00 0.00 H new ATOM 0 HG1 THR A 77 -11.197 34.352 -8.661 1.00 0.00 H new ATOM 0 HG21 THR A 77 -12.668 33.335 -7.102 1.00 0.00 H new ATOM 0 HG22 THR A 77 -12.443 31.600 -6.775 1.00 0.00 H new ATOM 0 HG23 THR A 77 -11.262 32.781 -6.162 1.00 0.00 H new ATOM 1212 N LEU A 78 -11.355 29.348 -8.903 1.00 0.00 N ATOM 1213 CA LEU A 78 -12.039 28.057 -8.786 1.00 0.00 C ATOM 1214 C LEU A 78 -11.038 26.924 -8.550 1.00 0.00 C ATOM 1215 O LEU A 78 -11.345 25.987 -7.834 1.00 0.00 O ATOM 1216 CB LEU A 78 -12.878 27.770 -10.051 1.00 0.00 C ATOM 1217 CG LEU A 78 -14.046 28.762 -10.347 1.00 0.00 C ATOM 1218 CD1 LEU A 78 -14.886 28.290 -11.555 1.00 0.00 C ATOM 1219 CD2 LEU A 78 -14.928 28.977 -9.103 1.00 0.00 C ATOM 0 H LEU A 78 -11.413 29.760 -9.834 1.00 0.00 H new ATOM 0 HA LEU A 78 -12.707 28.109 -7.926 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -12.209 27.764 -10.911 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -13.295 26.767 -9.964 1.00 0.00 H new ATOM 0 HG LEU A 78 -13.604 29.724 -10.606 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -15.692 29.001 -11.737 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -14.250 28.228 -12.438 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -15.309 27.308 -11.343 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -15.732 29.673 -9.343 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -15.354 28.024 -8.790 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -14.323 29.387 -8.294 1.00 0.00 H new ATOM 1231 N ARG A 79 -9.849 27.046 -9.163 1.00 0.00 N ATOM 1232 CA ARG A 79 -8.748 26.072 -9.033 1.00 0.00 C ATOM 1233 C ARG A 79 -8.230 26.039 -7.582 1.00 0.00 C ATOM 1234 O ARG A 79 -7.921 24.973 -7.043 1.00 0.00 O ATOM 1235 CB ARG A 79 -7.606 26.434 -10.020 1.00 0.00 C ATOM 1236 CG ARG A 79 -6.426 25.434 -10.060 1.00 0.00 C ATOM 1237 CD ARG A 79 -5.337 25.849 -11.065 1.00 0.00 C ATOM 1238 NE ARG A 79 -4.241 24.872 -11.110 1.00 0.00 N ATOM 1239 CZ ARG A 79 -3.141 24.974 -11.870 1.00 0.00 C ATOM 1240 NH1 ARG A 79 -2.930 26.036 -12.644 1.00 0.00 N ATOM 1241 NH2 ARG A 79 -2.241 24.004 -11.842 1.00 0.00 N ATOM 0 H ARG A 79 -9.621 27.833 -9.771 1.00 0.00 H new ATOM 0 HA ARG A 79 -9.120 25.078 -9.281 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -8.026 26.515 -11.022 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -7.218 27.418 -9.756 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -5.987 25.355 -9.065 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -6.801 24.445 -10.323 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -5.776 25.949 -12.057 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -4.942 26.827 -10.791 1.00 0.00 H new ATOM 0 HE ARG A 79 -4.323 24.048 -10.514 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -3.612 26.794 -12.667 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -2.086 26.092 -13.214 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -2.388 23.189 -11.246 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -1.401 24.071 -12.416 1.00 0.00 H new ATOM 1255 N GLU A 80 -8.163 27.230 -6.966 1.00 0.00 N ATOM 1256 CA GLU A 80 -7.826 27.389 -5.541 1.00 0.00 C ATOM 1257 C GLU A 80 -8.962 26.810 -4.667 1.00 0.00 C ATOM 1258 O GLU A 80 -8.709 26.161 -3.644 1.00 0.00 O ATOM 1259 CB GLU A 80 -7.608 28.899 -5.209 1.00 0.00 C ATOM 1260 CG GLU A 80 -7.091 29.186 -3.778 1.00 0.00 C ATOM 1261 CD GLU A 80 -5.629 28.738 -3.562 1.00 0.00 C ATOM 1262 OE1 GLU A 80 -4.711 29.569 -3.716 1.00 0.00 O ATOM 1263 OE2 GLU A 80 -5.386 27.554 -3.253 1.00 0.00 O ATOM 0 H GLU A 80 -8.342 28.113 -7.444 1.00 0.00 H new ATOM 0 HA GLU A 80 -6.904 26.847 -5.329 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -6.899 29.314 -5.925 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -8.551 29.427 -5.351 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -7.171 30.254 -3.576 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.731 28.677 -3.058 1.00 0.00 H new ATOM 1270 N LEU A 81 -10.212 27.043 -5.121 1.00 0.00 N ATOM 1271 CA LEU A 81 -11.441 26.616 -4.423 1.00 0.00 C ATOM 1272 C LEU A 81 -11.574 25.073 -4.398 1.00 0.00 C ATOM 1273 O LEU A 81 -12.158 24.525 -3.457 1.00 0.00 O ATOM 1274 CB LEU A 81 -12.690 27.277 -5.086 1.00 0.00 C ATOM 1275 CG LEU A 81 -14.062 27.046 -4.382 1.00 0.00 C ATOM 1276 CD1 LEU A 81 -14.036 27.590 -2.935 1.00 0.00 C ATOM 1277 CD2 LEU A 81 -15.216 27.683 -5.201 1.00 0.00 C ATOM 0 H LEU A 81 -10.397 27.539 -5.993 1.00 0.00 H new ATOM 0 HA LEU A 81 -11.378 26.949 -3.387 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -12.515 28.351 -5.146 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -12.767 26.909 -6.109 1.00 0.00 H new ATOM 0 HG LEU A 81 -14.243 25.972 -4.331 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -15.004 27.418 -2.464 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -13.260 27.077 -2.367 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -13.826 28.659 -2.952 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -16.163 27.509 -4.691 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -15.046 28.756 -5.296 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -15.250 27.232 -6.193 1.00 0.00 H new ATOM 1289 N GLU A 82 -11.024 24.388 -5.436 1.00 0.00 N ATOM 1290 CA GLU A 82 -10.963 22.906 -5.494 1.00 0.00 C ATOM 1291 C GLU A 82 -10.206 22.382 -4.271 1.00 0.00 C ATOM 1292 O GLU A 82 -10.742 21.626 -3.470 1.00 0.00 O ATOM 1293 CB GLU A 82 -10.239 22.401 -6.785 1.00 0.00 C ATOM 1294 CG GLU A 82 -10.802 22.930 -8.115 1.00 0.00 C ATOM 1295 CD GLU A 82 -12.285 22.607 -8.352 1.00 0.00 C ATOM 1296 OE1 GLU A 82 -13.166 23.408 -7.956 1.00 0.00 O ATOM 1297 OE2 GLU A 82 -12.581 21.560 -8.967 1.00 0.00 O ATOM 0 H GLU A 82 -10.614 24.846 -6.250 1.00 0.00 H new ATOM 0 HA GLU A 82 -11.987 22.534 -5.508 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -9.187 22.678 -6.721 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -10.282 21.312 -6.801 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -10.669 24.011 -8.147 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -10.217 22.513 -8.934 1.00 0.00 H new ATOM 1304 N ARG A 83 -8.965 22.878 -4.124 1.00 0.00 N ATOM 1305 CA ARG A 83 -8.057 22.495 -3.031 1.00 0.00 C ATOM 1306 C ARG A 83 -8.650 22.879 -1.660 1.00 0.00 C ATOM 1307 O ARG A 83 -8.500 22.144 -0.689 1.00 0.00 O ATOM 1308 CB ARG A 83 -6.678 23.177 -3.237 1.00 0.00 C ATOM 1309 CG ARG A 83 -5.597 22.806 -2.187 1.00 0.00 C ATOM 1310 CD ARG A 83 -4.291 23.607 -2.377 1.00 0.00 C ATOM 1311 NE ARG A 83 -3.670 23.354 -3.695 1.00 0.00 N ATOM 1312 CZ ARG A 83 -3.484 24.265 -4.667 1.00 0.00 C ATOM 1313 NH1 ARG A 83 -3.880 25.517 -4.513 1.00 0.00 N ATOM 1314 NH2 ARG A 83 -2.918 23.906 -5.806 1.00 0.00 N ATOM 0 H ARG A 83 -8.562 23.561 -4.766 1.00 0.00 H new ATOM 0 HA ARG A 83 -7.928 21.413 -3.046 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -6.305 22.916 -4.227 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -6.819 24.258 -3.224 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -5.989 22.988 -1.186 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -5.379 21.740 -2.255 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -4.501 24.672 -2.274 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -3.586 23.343 -1.588 1.00 0.00 H new ATOM 0 HE ARG A 83 -3.354 22.403 -3.884 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -4.335 25.805 -3.647 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -3.731 26.195 -5.261 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -2.623 22.940 -5.947 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -2.776 24.595 -6.544 1.00 0.00 H new ATOM 1328 N TYR A 84 -9.376 24.015 -1.629 1.00 0.00 N ATOM 1329 CA TYR A 84 -9.873 24.639 -0.386 1.00 0.00 C ATOM 1330 C TYR A 84 -11.004 23.798 0.257 1.00 0.00 C ATOM 1331 O TYR A 84 -10.927 23.444 1.441 1.00 0.00 O ATOM 1332 CB TYR A 84 -10.351 26.098 -0.689 1.00 0.00 C ATOM 1333 CG TYR A 84 -10.159 27.097 0.467 1.00 0.00 C ATOM 1334 CD1 TYR A 84 -8.892 27.625 0.750 1.00 0.00 C ATOM 1335 CD2 TYR A 84 -11.226 27.531 1.261 1.00 0.00 C ATOM 1336 CE1 TYR A 84 -8.702 28.537 1.763 1.00 0.00 C ATOM 1337 CE2 TYR A 84 -11.030 28.443 2.280 1.00 0.00 C ATOM 1338 CZ TYR A 84 -9.768 28.940 2.525 1.00 0.00 C ATOM 1339 OH TYR A 84 -9.573 29.865 3.518 1.00 0.00 O ATOM 0 H TYR A 84 -9.636 24.528 -2.471 1.00 0.00 H new ATOM 0 HA TYR A 84 -9.058 24.678 0.337 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -9.813 26.467 -1.562 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -11.408 26.071 -0.954 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -8.045 27.309 0.159 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -12.218 27.147 1.074 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -7.716 28.934 1.957 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -11.865 28.766 2.884 1.00 0.00 H new ATOM 0 HH TYR A 84 -9.994 30.712 3.263 1.00 0.00 H new ATOM 1349 N VAL A 85 -12.038 23.478 -0.545 1.00 0.00 N ATOM 1350 CA VAL A 85 -13.216 22.718 -0.077 1.00 0.00 C ATOM 1351 C VAL A 85 -12.861 21.236 0.122 1.00 0.00 C ATOM 1352 O VAL A 85 -13.232 20.635 1.135 1.00 0.00 O ATOM 1353 CB VAL A 85 -14.426 22.843 -1.079 1.00 0.00 C ATOM 1354 CG1 VAL A 85 -15.679 22.076 -0.574 1.00 0.00 C ATOM 1355 CG2 VAL A 85 -14.754 24.330 -1.362 1.00 0.00 C ATOM 0 H VAL A 85 -12.082 23.737 -1.531 1.00 0.00 H new ATOM 0 HA VAL A 85 -13.518 23.148 0.878 1.00 0.00 H new ATOM 0 HB VAL A 85 -14.124 22.377 -2.017 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -16.489 22.188 -1.294 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -15.438 21.019 -0.461 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -15.990 22.482 0.389 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -15.592 24.392 -2.056 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -15.018 24.828 -0.429 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -13.883 24.818 -1.800 1.00 0.00 H new ATOM 1365 N LEU A 86 -12.122 20.669 -0.847 1.00 0.00 N ATOM 1366 CA LEU A 86 -11.730 19.243 -0.832 1.00 0.00 C ATOM 1367 C LEU A 86 -10.773 18.934 0.339 1.00 0.00 C ATOM 1368 O LEU A 86 -10.726 17.803 0.800 1.00 0.00 O ATOM 1369 CB LEU A 86 -11.110 18.811 -2.198 1.00 0.00 C ATOM 1370 CG LEU A 86 -12.114 18.480 -3.373 1.00 0.00 C ATOM 1371 CD1 LEU A 86 -13.198 19.569 -3.574 1.00 0.00 C ATOM 1372 CD2 LEU A 86 -11.346 18.221 -4.700 1.00 0.00 C ATOM 0 H LEU A 86 -11.779 21.181 -1.660 1.00 0.00 H new ATOM 0 HA LEU A 86 -12.636 18.656 -0.680 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -10.446 19.607 -2.535 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -10.490 17.931 -2.025 1.00 0.00 H new ATOM 0 HG LEU A 86 -12.638 17.570 -3.080 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -13.855 19.281 -4.395 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -13.783 19.673 -2.660 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -12.719 20.520 -3.808 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -12.058 17.995 -5.494 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -10.773 19.109 -4.968 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -10.668 17.377 -4.569 1.00 0.00 H new ATOM 1384 N SER A 87 -10.022 19.950 0.815 1.00 0.00 N ATOM 1385 CA SER A 87 -9.173 19.827 2.026 1.00 0.00 C ATOM 1386 C SER A 87 -10.046 19.607 3.278 1.00 0.00 C ATOM 1387 O SER A 87 -9.674 18.860 4.185 1.00 0.00 O ATOM 1388 CB SER A 87 -8.301 21.091 2.199 1.00 0.00 C ATOM 1389 OG SER A 87 -7.453 21.006 3.333 1.00 0.00 O ATOM 0 H SER A 87 -9.985 20.871 0.378 1.00 0.00 H new ATOM 0 HA SER A 87 -8.519 18.963 1.903 1.00 0.00 H new ATOM 0 HB2 SER A 87 -7.695 21.238 1.305 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.946 21.965 2.294 1.00 0.00 H new ATOM 0 HG SER A 87 -6.919 21.824 3.404 1.00 0.00 H new ATOM 1395 N CYS A 88 -11.208 20.278 3.296 1.00 0.00 N ATOM 1396 CA CYS A 88 -12.182 20.193 4.399 1.00 0.00 C ATOM 1397 C CYS A 88 -13.018 18.891 4.314 1.00 0.00 C ATOM 1398 O CYS A 88 -13.538 18.410 5.329 1.00 0.00 O ATOM 1399 CB CYS A 88 -13.089 21.440 4.368 1.00 0.00 C ATOM 1400 SG CYS A 88 -12.192 23.016 4.390 1.00 0.00 S ATOM 0 H CYS A 88 -11.501 20.899 2.542 1.00 0.00 H new ATOM 0 HA CYS A 88 -11.645 20.163 5.347 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -13.710 21.401 3.473 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -13.762 21.407 5.225 1.00 0.00 H new ATOM 0 HG CYS A 88 -11.663 23.230 3.222 1.00 0.00 H new ATOM 1406 N LEU A 89 -13.148 18.338 3.092 1.00 0.00 N ATOM 1407 CA LEU A 89 -13.872 17.070 2.845 1.00 0.00 C ATOM 1408 C LEU A 89 -13.015 15.854 3.259 1.00 0.00 C ATOM 1409 O LEU A 89 -13.505 14.932 3.918 1.00 0.00 O ATOM 1410 CB LEU A 89 -14.258 16.958 1.346 1.00 0.00 C ATOM 1411 CG LEU A 89 -15.265 18.024 0.805 1.00 0.00 C ATOM 1412 CD1 LEU A 89 -15.440 17.892 -0.729 1.00 0.00 C ATOM 1413 CD2 LEU A 89 -16.630 17.936 1.540 1.00 0.00 C ATOM 0 H LEU A 89 -12.756 18.755 2.248 1.00 0.00 H new ATOM 0 HA LEU A 89 -14.778 17.074 3.450 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -13.345 17.019 0.753 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -14.684 15.969 1.176 1.00 0.00 H new ATOM 0 HG LEU A 89 -14.849 19.010 1.009 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -16.145 18.645 -1.081 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -14.478 18.039 -1.219 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -15.820 16.899 -0.968 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -17.308 18.690 1.140 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -17.061 16.946 1.391 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -16.481 18.110 2.606 1.00 0.00 H new ATOM 1425 N ARG A 90 -11.740 15.872 2.837 1.00 0.00 N ATOM 1426 CA ARG A 90 -10.766 14.791 3.105 1.00 0.00 C ATOM 1427 C ARG A 90 -10.353 14.787 4.584 1.00 0.00 C ATOM 1428 O ARG A 90 -10.505 13.772 5.288 1.00 0.00 O ATOM 1429 CB ARG A 90 -9.514 14.967 2.201 1.00 0.00 C ATOM 1430 CG ARG A 90 -9.777 14.785 0.689 1.00 0.00 C ATOM 1431 CD ARG A 90 -8.576 15.204 -0.176 1.00 0.00 C ATOM 1432 NE ARG A 90 -7.355 14.435 0.140 1.00 0.00 N ATOM 1433 CZ ARG A 90 -6.358 14.188 -0.726 1.00 0.00 C ATOM 1434 NH1 ARG A 90 -6.428 14.614 -1.981 1.00 0.00 N ATOM 1435 NH2 ARG A 90 -5.291 13.514 -0.329 1.00 0.00 N ATOM 0 H ARG A 90 -11.349 16.642 2.295 1.00 0.00 H new ATOM 0 HA ARG A 90 -11.239 13.836 2.877 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -9.100 15.962 2.367 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -8.754 14.250 2.512 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -10.017 13.741 0.489 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -10.649 15.373 0.402 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -8.825 15.067 -1.228 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -8.380 16.266 -0.030 1.00 0.00 H new ATOM 0 HE ARG A 90 -7.262 14.064 1.086 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -7.245 15.135 -2.298 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -5.664 14.420 -2.629 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -5.226 13.183 0.633 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -4.533 13.326 -0.985 1.00 0.00 H new ATOM 1724 N THR A 106 -23.075 36.428 20.809 1.00 0.00 N ATOM 1725 CA THR A 106 -23.772 37.263 19.831 1.00 0.00 C ATOM 1726 C THR A 106 -22.930 38.524 19.520 1.00 0.00 C ATOM 1727 O THR A 106 -22.101 38.940 20.333 1.00 0.00 O ATOM 1728 CB THR A 106 -25.179 37.651 20.403 1.00 0.00 C ATOM 1729 OG1 THR A 106 -25.867 36.459 20.838 1.00 0.00 O ATOM 1730 CG2 THR A 106 -26.065 38.386 19.379 1.00 0.00 C ATOM 0 HA THR A 106 -23.910 36.713 18.900 1.00 0.00 H new ATOM 0 HB THR A 106 -25.003 38.333 21.235 1.00 0.00 H new ATOM 0 HG1 THR A 106 -25.217 35.817 21.192 1.00 0.00 H new ATOM 0 HG21 THR A 106 -27.025 38.627 19.835 1.00 0.00 H new ATOM 0 HG22 THR A 106 -25.571 39.306 19.064 1.00 0.00 H new ATOM 0 HG23 THR A 106 -26.226 37.746 18.512 1.00 0.00 H new ATOM 1738 N LYS A 107 -23.135 39.099 18.328 1.00 0.00 N ATOM 1739 CA LYS A 107 -22.479 40.357 17.903 1.00 0.00 C ATOM 1740 C LYS A 107 -22.900 41.558 18.791 1.00 0.00 C ATOM 1741 O LYS A 107 -22.101 42.471 19.034 1.00 0.00 O ATOM 1742 CB LYS A 107 -22.794 40.626 16.405 1.00 0.00 C ATOM 1743 CG LYS A 107 -24.305 40.767 16.077 1.00 0.00 C ATOM 1744 CD LYS A 107 -24.603 40.819 14.560 1.00 0.00 C ATOM 1745 CE LYS A 107 -23.898 41.979 13.835 1.00 0.00 C ATOM 1746 NZ LYS A 107 -24.228 41.998 12.385 1.00 0.00 N ATOM 0 H LYS A 107 -23.761 38.709 17.624 1.00 0.00 H new ATOM 0 HA LYS A 107 -21.402 40.242 18.026 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -22.282 41.538 16.098 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -22.381 39.813 15.809 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -24.844 39.928 16.517 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -24.688 41.673 16.546 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -24.297 39.877 14.105 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -25.679 40.909 14.412 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -24.193 42.925 14.288 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -22.819 41.887 13.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -23.736 42.792 11.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -23.924 41.104 11.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -25.255 42.111 12.264 1.00 0.00 H new ATOM 1760 N GLU A 108 -24.157 41.515 19.284 1.00 0.00 N ATOM 1761 CA GLU A 108 -24.723 42.534 20.192 1.00 0.00 C ATOM 1762 C GLU A 108 -24.001 42.517 21.549 1.00 0.00 C ATOM 1763 O GLU A 108 -23.833 43.558 22.184 1.00 0.00 O ATOM 1764 CB GLU A 108 -26.244 42.268 20.400 1.00 0.00 C ATOM 1765 CG GLU A 108 -27.076 42.156 19.106 1.00 0.00 C ATOM 1766 CD GLU A 108 -27.011 43.412 18.226 1.00 0.00 C ATOM 1767 OE1 GLU A 108 -26.214 43.444 17.260 1.00 0.00 O ATOM 1768 OE2 GLU A 108 -27.752 44.379 18.505 1.00 0.00 O ATOM 0 H GLU A 108 -24.812 40.766 19.061 1.00 0.00 H new ATOM 0 HA GLU A 108 -24.584 43.516 19.739 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -26.360 41.345 20.968 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -26.657 43.072 21.009 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -26.724 41.300 18.530 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -28.116 41.959 19.368 1.00 0.00 H new ATOM 1775 N GLU A 109 -23.574 41.305 21.955 1.00 0.00 N ATOM 1776 CA GLU A 109 -22.893 41.055 23.236 1.00 0.00 C ATOM 1777 C GLU A 109 -21.595 41.885 23.340 1.00 0.00 C ATOM 1778 O GLU A 109 -21.396 42.621 24.310 1.00 0.00 O ATOM 1779 CB GLU A 109 -22.582 39.534 23.352 1.00 0.00 C ATOM 1780 CG GLU A 109 -22.083 39.053 24.728 1.00 0.00 C ATOM 1781 CD GLU A 109 -23.175 39.022 25.818 1.00 0.00 C ATOM 1782 OE1 GLU A 109 -22.922 39.468 26.958 1.00 0.00 O ATOM 1783 OE2 GLU A 109 -24.286 38.524 25.542 1.00 0.00 O ATOM 0 H GLU A 109 -23.695 40.462 21.393 1.00 0.00 H new ATOM 0 HA GLU A 109 -23.544 41.359 24.056 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -23.485 38.978 23.100 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -21.831 39.278 22.605 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -21.663 38.053 24.621 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -21.274 39.705 25.058 1.00 0.00 H new ATOM 1790 N LEU A 110 -20.758 41.782 22.288 1.00 0.00 N ATOM 1791 CA LEU A 110 -19.448 42.465 22.212 1.00 0.00 C ATOM 1792 C LEU A 110 -19.602 43.996 22.252 1.00 0.00 C ATOM 1793 O LEU A 110 -18.846 44.681 22.947 1.00 0.00 O ATOM 1794 CB LEU A 110 -18.698 42.048 20.916 1.00 0.00 C ATOM 1795 CG LEU A 110 -18.387 40.522 20.766 1.00 0.00 C ATOM 1796 CD1 LEU A 110 -17.628 40.223 19.446 1.00 0.00 C ATOM 1797 CD2 LEU A 110 -17.614 39.980 21.998 1.00 0.00 C ATOM 0 H LEU A 110 -20.971 41.221 21.463 1.00 0.00 H new ATOM 0 HA LEU A 110 -18.868 42.160 23.083 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -19.292 42.364 20.058 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -17.757 42.597 20.872 1.00 0.00 H new ATOM 0 HG LEU A 110 -19.341 39.997 20.719 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -17.429 39.154 19.375 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -18.237 40.536 18.598 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -16.685 40.769 19.437 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -17.413 38.917 21.863 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -16.671 40.517 22.101 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -18.214 40.124 22.896 1.00 0.00 H new ATOM 1809 N ALA A 111 -20.591 44.505 21.491 1.00 0.00 N ATOM 1810 CA ALA A 111 -20.878 45.953 21.368 1.00 0.00 C ATOM 1811 C ALA A 111 -21.378 46.554 22.694 1.00 0.00 C ATOM 1812 O ALA A 111 -20.995 47.672 23.071 1.00 0.00 O ATOM 1813 CB ALA A 111 -21.909 46.185 20.249 1.00 0.00 C ATOM 0 H ALA A 111 -21.219 43.921 20.939 1.00 0.00 H new ATOM 0 HA ALA A 111 -19.947 46.460 21.115 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -22.117 47.251 20.162 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -21.510 45.815 19.305 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -22.830 45.654 20.487 1.00 0.00 H new ATOM 1819 N LEU A 112 -22.228 45.787 23.388 1.00 0.00 N ATOM 1820 CA LEU A 112 -22.850 46.207 24.657 1.00 0.00 C ATOM 1821 C LEU A 112 -21.796 46.285 25.789 1.00 0.00 C ATOM 1822 O LEU A 112 -21.819 47.210 26.620 1.00 0.00 O ATOM 1823 CB LEU A 112 -23.996 45.223 25.016 1.00 0.00 C ATOM 1824 CG LEU A 112 -24.941 45.652 26.188 1.00 0.00 C ATOM 1825 CD1 LEU A 112 -25.677 46.981 25.865 1.00 0.00 C ATOM 1826 CD2 LEU A 112 -25.949 44.523 26.540 1.00 0.00 C ATOM 0 H LEU A 112 -22.507 44.853 23.087 1.00 0.00 H new ATOM 0 HA LEU A 112 -23.269 47.206 24.540 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -24.605 45.069 24.125 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -23.552 44.260 25.270 1.00 0.00 H new ATOM 0 HG LEU A 112 -24.318 45.826 27.065 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -26.325 47.250 26.699 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -24.945 47.772 25.704 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -26.278 46.854 24.965 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -26.592 44.851 27.357 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -26.560 44.296 25.667 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -25.403 43.630 26.843 1.00 0.00 H new ATOM 1838 N GLU A 113 -20.872 45.304 25.788 1.00 0.00 N ATOM 1839 CA GLU A 113 -19.725 45.254 26.719 1.00 0.00 C ATOM 1840 C GLU A 113 -18.734 46.394 26.435 1.00 0.00 C ATOM 1841 O GLU A 113 -18.188 46.992 27.369 1.00 0.00 O ATOM 1842 CB GLU A 113 -18.992 43.893 26.605 1.00 0.00 C ATOM 1843 CG GLU A 113 -19.800 42.671 27.101 1.00 0.00 C ATOM 1844 CD GLU A 113 -19.022 41.353 26.976 1.00 0.00 C ATOM 1845 OE1 GLU A 113 -18.145 41.092 27.829 1.00 0.00 O ATOM 1846 OE2 GLU A 113 -19.260 40.584 26.016 1.00 0.00 O ATOM 0 H GLU A 113 -20.900 44.519 25.138 1.00 0.00 H new ATOM 0 HA GLU A 113 -20.114 45.371 27.730 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -18.720 43.730 25.562 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -18.063 43.949 27.172 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -20.080 42.825 28.143 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -20.725 42.597 26.530 1.00 0.00 H new ATOM 1853 N LYS A 114 -18.509 46.670 25.131 1.00 0.00 N ATOM 1854 CA LYS A 114 -17.557 47.696 24.670 1.00 0.00 C ATOM 1855 C LYS A 114 -18.016 49.087 25.120 1.00 0.00 C ATOM 1856 O LYS A 114 -17.182 49.929 25.446 1.00 0.00 O ATOM 1857 CB LYS A 114 -17.384 47.626 23.118 1.00 0.00 C ATOM 1858 CG LYS A 114 -16.241 48.502 22.503 1.00 0.00 C ATOM 1859 CD LYS A 114 -16.617 49.991 22.277 1.00 0.00 C ATOM 1860 CE LYS A 114 -15.443 50.824 21.742 1.00 0.00 C ATOM 1861 NZ LYS A 114 -14.965 50.335 20.426 1.00 0.00 N ATOM 0 H LYS A 114 -18.985 46.185 24.370 1.00 0.00 H new ATOM 0 HA LYS A 114 -16.584 47.502 25.120 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -17.204 46.587 22.841 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -18.326 47.921 22.656 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -15.373 48.456 23.160 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -15.942 48.068 21.549 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -17.448 50.049 21.574 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -16.964 50.421 23.217 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -15.750 51.866 21.651 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -14.622 50.795 22.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -14.255 50.994 20.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -14.538 49.393 20.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -15.767 50.274 19.766 1.00 0.00 H new ATOM 1875 N LYS A 115 -19.344 49.310 25.127 1.00 0.00 N ATOM 1876 CA LYS A 115 -19.937 50.587 25.560 1.00 0.00 C ATOM 1877 C LYS A 115 -19.573 50.893 27.026 1.00 0.00 C ATOM 1878 O LYS A 115 -19.096 51.984 27.340 1.00 0.00 O ATOM 1879 CB LYS A 115 -21.475 50.570 25.383 1.00 0.00 C ATOM 1880 CG LYS A 115 -22.166 51.880 25.837 1.00 0.00 C ATOM 1881 CD LYS A 115 -23.694 51.866 25.640 1.00 0.00 C ATOM 1882 CE LYS A 115 -24.328 53.196 26.078 1.00 0.00 C ATOM 1883 NZ LYS A 115 -25.781 53.251 25.800 1.00 0.00 N ATOM 0 H LYS A 115 -20.031 48.615 24.835 1.00 0.00 H new ATOM 0 HA LYS A 115 -19.525 51.375 24.930 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -21.710 50.390 24.334 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -21.888 49.736 25.950 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -21.944 52.053 26.890 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -21.743 52.717 25.281 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -23.926 51.679 24.591 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -24.129 51.047 26.214 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -24.160 53.341 27.145 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -23.832 54.018 25.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -26.160 54.167 26.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -25.943 53.140 24.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -26.262 52.484 26.312 1.00 0.00 H new ATOM 1897 N ARG A 116 -19.778 49.895 27.899 1.00 0.00 N ATOM 1898 CA ARG A 116 -19.513 50.017 29.354 1.00 0.00 C ATOM 1899 C ARG A 116 -18.001 50.060 29.643 1.00 0.00 C ATOM 1900 O ARG A 116 -17.574 50.627 30.658 1.00 0.00 O ATOM 1901 CB ARG A 116 -20.224 48.860 30.134 1.00 0.00 C ATOM 1902 CG ARG A 116 -21.722 49.131 30.455 1.00 0.00 C ATOM 1903 CD ARG A 116 -22.601 49.354 29.198 1.00 0.00 C ATOM 1904 NE ARG A 116 -23.769 50.211 29.497 1.00 0.00 N ATOM 1905 CZ ARG A 116 -25.014 50.037 29.030 1.00 0.00 C ATOM 1906 NH1 ARG A 116 -25.314 48.970 28.317 1.00 0.00 N ATOM 1907 NH2 ARG A 116 -25.969 50.925 29.306 1.00 0.00 N ATOM 0 H ARG A 116 -20.132 48.979 27.624 1.00 0.00 H new ATOM 0 HA ARG A 116 -19.929 50.961 29.705 1.00 0.00 H new ATOM 0 HB2 ARG A 116 -20.150 47.944 29.548 1.00 0.00 H new ATOM 0 HB3 ARG A 116 -19.690 48.685 31.068 1.00 0.00 H new ATOM 0 HG2 ARG A 116 -22.121 48.289 31.021 1.00 0.00 H new ATOM 0 HG3 ARG A 116 -21.793 50.009 31.097 1.00 0.00 H new ATOM 0 HD2 ARG A 116 -22.003 49.814 28.412 1.00 0.00 H new ATOM 0 HD3 ARG A 116 -22.943 48.392 28.817 1.00 0.00 H new ATOM 0 HE ARG A 116 -23.613 51.007 30.115 1.00 0.00 H new ATOM 0 HH11 ARG A 116 -24.598 48.272 28.118 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -26.263 48.843 27.964 1.00 0.00 H new ATOM 0 HH21 ARG A 116 -25.755 51.743 29.876 1.00 0.00 H new ATOM 0 HH22 ARG A 116 -26.914 50.786 28.947 1.00 0.00 H new ATOM 1921 N GLU A 117 -17.209 49.446 28.742 1.00 0.00 N ATOM 1922 CA GLU A 117 -15.745 49.535 28.765 1.00 0.00 C ATOM 1923 C GLU A 117 -15.307 50.977 28.450 1.00 0.00 C ATOM 1924 O GLU A 117 -14.453 51.527 29.128 1.00 0.00 O ATOM 1925 CB GLU A 117 -15.111 48.533 27.752 1.00 0.00 C ATOM 1926 CG GLU A 117 -13.568 48.465 27.783 1.00 0.00 C ATOM 1927 CD GLU A 117 -13.021 47.956 29.133 1.00 0.00 C ATOM 1928 OE1 GLU A 117 -12.797 48.771 30.056 1.00 0.00 O ATOM 1929 OE2 GLU A 117 -12.818 46.733 29.282 1.00 0.00 O ATOM 0 H GLU A 117 -17.572 48.875 27.979 1.00 0.00 H new ATOM 0 HA GLU A 117 -15.393 49.268 29.761 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -15.508 47.538 27.951 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -15.428 48.807 26.746 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -13.221 47.809 26.985 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -13.161 49.456 27.581 1.00 0.00 H new ATOM 1936 N LEU A 118 -15.961 51.580 27.446 1.00 0.00 N ATOM 1937 CA LEU A 118 -15.666 52.949 26.972 1.00 0.00 C ATOM 1938 C LEU A 118 -16.053 53.999 28.036 1.00 0.00 C ATOM 1939 O LEU A 118 -15.370 55.022 28.185 1.00 0.00 O ATOM 1940 CB LEU A 118 -16.411 53.208 25.633 1.00 0.00 C ATOM 1941 CG LEU A 118 -16.147 54.589 24.948 1.00 0.00 C ATOM 1942 CD1 LEU A 118 -14.640 54.789 24.618 1.00 0.00 C ATOM 1943 CD2 LEU A 118 -17.032 54.754 23.684 1.00 0.00 C ATOM 0 H LEU A 118 -16.718 51.130 26.932 1.00 0.00 H new ATOM 0 HA LEU A 118 -14.593 53.041 26.801 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -16.137 52.420 24.931 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -17.482 53.115 25.814 1.00 0.00 H new ATOM 0 HG LEU A 118 -16.424 55.369 25.657 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -14.497 55.760 24.143 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -14.057 54.746 25.538 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -14.308 54.002 23.941 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -16.832 55.722 23.224 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -16.803 53.960 22.973 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -18.083 54.697 23.966 1.00 0.00 H new ATOM 1955 N GLU A 119 -17.145 53.715 28.777 1.00 0.00 N ATOM 1956 CA GLU A 119 -17.591 54.539 29.921 1.00 0.00 C ATOM 1957 C GLU A 119 -16.514 54.572 31.022 1.00 0.00 C ATOM 1958 O GLU A 119 -16.315 55.604 31.671 1.00 0.00 O ATOM 1959 CB GLU A 119 -18.932 54.012 30.492 1.00 0.00 C ATOM 1960 CG GLU A 119 -20.135 54.170 29.531 1.00 0.00 C ATOM 1961 CD GLU A 119 -21.466 53.708 30.143 1.00 0.00 C ATOM 1962 OE1 GLU A 119 -21.936 52.595 29.833 1.00 0.00 O ATOM 1963 OE2 GLU A 119 -22.042 54.453 30.963 1.00 0.00 O ATOM 0 H GLU A 119 -17.743 52.908 28.599 1.00 0.00 H new ATOM 0 HA GLU A 119 -17.748 55.556 29.562 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -18.818 52.958 30.743 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -19.151 54.539 31.421 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -20.222 55.216 29.237 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -19.943 53.599 28.623 1.00 0.00 H new ATOM 1970 N LYS A 120 -15.831 53.426 31.221 1.00 0.00 N ATOM 1971 CA LYS A 120 -14.652 53.349 32.096 1.00 0.00 C ATOM 1972 C LYS A 120 -13.514 54.210 31.520 1.00 0.00 C ATOM 1973 O LYS A 120 -12.994 55.088 32.209 1.00 0.00 O ATOM 1974 CB LYS A 120 -14.187 51.879 32.279 1.00 0.00 C ATOM 1975 CG LYS A 120 -12.853 51.737 33.053 1.00 0.00 C ATOM 1976 CD LYS A 120 -12.381 50.278 33.183 1.00 0.00 C ATOM 1977 CE LYS A 120 -11.022 50.164 33.885 1.00 0.00 C ATOM 1978 NZ LYS A 120 -10.596 48.757 34.035 1.00 0.00 N ATOM 0 H LYS A 120 -16.081 52.539 30.783 1.00 0.00 H new ATOM 0 HA LYS A 120 -14.925 53.735 33.078 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -14.963 51.325 32.807 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -14.078 51.417 31.298 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -12.082 52.318 32.546 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -12.971 52.164 34.049 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -13.124 49.707 33.740 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -12.313 49.831 32.191 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -10.272 50.712 33.315 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -11.080 50.632 34.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -9.673 48.723 34.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -11.299 48.240 34.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -10.515 48.317 33.096 1.00 0.00 H new ATOM 1992 N ARG A 121 -13.204 53.988 30.218 1.00 0.00 N ATOM 1993 CA ARG A 121 -12.051 54.608 29.513 1.00 0.00 C ATOM 1994 C ARG A 121 -12.202 56.131 29.349 1.00 0.00 C ATOM 1995 O ARG A 121 -11.269 56.794 28.878 1.00 0.00 O ATOM 1996 CB ARG A 121 -11.793 53.919 28.137 1.00 0.00 C ATOM 1997 CG ARG A 121 -11.597 52.383 28.209 1.00 0.00 C ATOM 1998 CD ARG A 121 -10.499 51.938 29.198 1.00 0.00 C ATOM 1999 NE ARG A 121 -10.489 50.465 29.367 1.00 0.00 N ATOM 2000 CZ ARG A 121 -9.614 49.746 30.107 1.00 0.00 C ATOM 2001 NH1 ARG A 121 -8.642 50.333 30.791 1.00 0.00 N ATOM 2002 NH2 ARG A 121 -9.745 48.425 30.175 1.00 0.00 N ATOM 0 H ARG A 121 -13.752 53.368 29.621 1.00 0.00 H new ATOM 0 HA ARG A 121 -11.179 54.447 30.146 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -12.632 54.134 27.475 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -10.907 54.364 27.684 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -12.541 51.919 28.496 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -11.349 52.011 27.215 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -9.526 52.271 28.838 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -10.662 52.416 30.164 1.00 0.00 H new ATOM 0 HE ARG A 121 -11.214 49.942 28.876 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -8.542 51.348 30.766 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -7.994 49.770 31.342 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -10.501 47.961 29.671 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -9.090 47.875 30.731 1.00 0.00 H new ATOM 2016 N LEU A 122 -13.392 56.658 29.709 1.00 0.00 N ATOM 2017 CA LEU A 122 -13.648 58.103 29.848 1.00 0.00 C ATOM 2018 C LEU A 122 -12.685 58.693 30.914 1.00 0.00 C ATOM 2019 O LEU A 122 -11.859 59.562 30.607 1.00 0.00 O ATOM 2020 CB LEU A 122 -15.163 58.316 30.222 1.00 0.00 C ATOM 2021 CG LEU A 122 -15.797 59.745 30.011 1.00 0.00 C ATOM 2022 CD1 LEU A 122 -17.341 59.681 30.122 1.00 0.00 C ATOM 2023 CD2 LEU A 122 -15.241 60.807 30.991 1.00 0.00 C ATOM 0 H LEU A 122 -14.210 56.083 29.913 1.00 0.00 H new ATOM 0 HA LEU A 122 -13.458 58.628 28.912 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -15.751 57.604 29.643 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -15.286 58.051 31.272 1.00 0.00 H new ATOM 0 HG LEU A 122 -15.515 60.058 29.006 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -17.758 60.677 29.973 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -17.733 59.006 29.361 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -17.620 59.315 31.110 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -15.717 61.768 30.794 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -15.451 60.501 32.016 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -14.164 60.901 30.853 1.00 0.00 H new ATOM 2035 N GLN A 123 -12.799 58.177 32.156 1.00 0.00 N ATOM 2036 CA GLN A 123 -11.995 58.646 33.312 1.00 0.00 C ATOM 2037 C GLN A 123 -10.673 57.868 33.447 1.00 0.00 C ATOM 2038 O GLN A 123 -9.726 58.371 34.048 1.00 0.00 O ATOM 2039 CB GLN A 123 -12.818 58.524 34.625 1.00 0.00 C ATOM 2040 CG GLN A 123 -14.105 59.370 34.647 1.00 0.00 C ATOM 2041 CD GLN A 123 -14.876 59.286 35.969 1.00 0.00 C ATOM 2042 OE1 GLN A 123 -14.826 58.283 36.681 1.00 0.00 O ATOM 2043 NE2 GLN A 123 -15.615 60.335 36.298 1.00 0.00 N ATOM 0 H GLN A 123 -13.448 57.425 32.389 1.00 0.00 H new ATOM 0 HA GLN A 123 -11.748 59.692 33.134 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -13.082 57.478 34.779 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -12.188 58.820 35.464 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -13.848 60.411 34.452 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -14.756 59.045 33.836 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -15.638 61.153 35.690 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -16.161 60.324 37.160 1.00 0.00 H new