USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=16 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 Set 1.1: A 49 HIS : no HD1:sc= 0 K(o=-0.86,f=0) USER MOD Set 1.2: A 52 GLN : amide:sc= -0.86 K(o=-0.86,f=0) USER MOD Set 2.1: A 33 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 37 ASN : amide:sc= -0.121 K(o=-0.12,f=-2) USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -115:sc= -0.989 (180deg=-2.44) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.089) USER MOD Single : A 38 LYS NZ :NH3+ -179:sc= -0.912 (180deg=-0.921) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -12:sc= 0.402 USER MOD Single : A 62 ASN : amide:sc= -0.0373 K(o=-0.037,f=-1.9!) USER MOD Single : A 72 THR OG1 : rot -11:sc= -0.64 USER MOD Single : A 74 LYS NZ :NH3+ 135:sc= 0.105 (180deg=-0.423) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot -50:sc= -1.2 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 CYS SG : rot 70:sc= 1.3 USER MOD Single : A 106 THR OG1 : rot 35:sc= 0.219 USER MOD Single : A 107 LYS NZ :NH3+ 170:sc=-0.00278 (180deg=-0.121) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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=-0.38) USER MOD ----------------------------------------------------------------- ATOM 296 N ARG A 22 -9.505 28.229 -17.312 1.00 0.00 N ATOM 297 CA ARG A 22 -10.848 28.765 -17.599 1.00 0.00 C ATOM 298 C ARG A 22 -11.701 28.774 -16.312 1.00 0.00 C ATOM 299 O ARG A 22 -11.337 28.106 -15.328 1.00 0.00 O ATOM 300 CB ARG A 22 -11.548 27.910 -18.689 1.00 0.00 C ATOM 301 CG ARG A 22 -11.862 26.454 -18.263 1.00 0.00 C ATOM 302 CD ARG A 22 -12.787 25.731 -19.250 1.00 0.00 C ATOM 303 NE ARG A 22 -13.090 24.373 -18.788 1.00 0.00 N ATOM 304 CZ ARG A 22 -14.121 23.623 -19.185 1.00 0.00 C ATOM 305 NH1 ARG A 22 -15.025 24.099 -20.029 1.00 0.00 N ATOM 306 NH2 ARG A 22 -14.245 22.388 -18.721 1.00 0.00 N ATOM 0 HA ARG A 22 -10.744 29.786 -17.965 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -12.479 28.400 -18.974 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -10.915 27.887 -19.576 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -10.929 25.898 -18.173 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -12.326 26.461 -17.277 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -13.713 26.295 -19.366 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -12.315 25.688 -20.232 1.00 0.00 H new ATOM 0 HE ARG A 22 -12.456 23.964 -18.101 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -14.939 25.051 -20.385 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -15.807 23.513 -20.323 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -13.556 22.018 -18.066 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -15.029 21.808 -19.019 1.00 0.00 H new ATOM 320 N PRO A 23 -12.825 29.569 -16.267 1.00 0.00 N ATOM 321 CA PRO A 23 -13.940 29.295 -15.341 1.00 0.00 C ATOM 322 C PRO A 23 -14.502 27.899 -15.676 1.00 0.00 C ATOM 323 O PRO A 23 -15.220 27.734 -16.673 1.00 0.00 O ATOM 324 CB PRO A 23 -14.967 30.436 -15.627 1.00 0.00 C ATOM 325 CG PRO A 23 -14.150 31.520 -16.270 1.00 0.00 C ATOM 326 CD PRO A 23 -13.079 30.799 -17.065 1.00 0.00 C ATOM 0 HA PRO A 23 -13.667 29.284 -14.286 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -15.766 30.096 -16.286 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -15.439 30.786 -14.709 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -14.766 32.145 -16.917 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -13.708 32.176 -15.520 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -13.419 30.561 -18.073 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -12.178 31.405 -17.167 1.00 0.00 H new ATOM 334 N MET A 24 -14.085 26.895 -14.889 1.00 0.00 N ATOM 335 CA MET A 24 -14.353 25.468 -15.182 1.00 0.00 C ATOM 336 C MET A 24 -15.867 25.181 -15.173 1.00 0.00 C ATOM 337 O MET A 24 -16.638 26.001 -14.646 1.00 0.00 O ATOM 338 CB MET A 24 -13.617 24.574 -14.155 1.00 0.00 C ATOM 339 CG MET A 24 -12.137 24.926 -13.928 1.00 0.00 C ATOM 340 SD MET A 24 -11.387 23.878 -12.662 1.00 0.00 S ATOM 341 CE MET A 24 -9.968 24.848 -12.151 1.00 0.00 C ATOM 0 H MET A 24 -13.553 27.043 -14.032 1.00 0.00 H new ATOM 0 HA MET A 24 -13.978 25.238 -16.179 1.00 0.00 H new ATOM 0 HB2 MET A 24 -14.140 24.637 -13.201 1.00 0.00 H new ATOM 0 HB3 MET A 24 -13.682 23.538 -14.486 1.00 0.00 H new ATOM 0 HG2 MET A 24 -11.589 24.815 -14.864 1.00 0.00 H new ATOM 0 HG3 MET A 24 -12.053 25.972 -13.631 1.00 0.00 H new ATOM 0 HE1 MET A 24 -9.422 24.313 -11.374 1.00 0.00 H new ATOM 0 HE2 MET A 24 -9.313 25.014 -13.007 1.00 0.00 H new ATOM 0 HE3 MET A 24 -10.305 25.808 -11.761 1.00 0.00 H new ATOM 351 N SER A 25 -16.270 24.007 -15.725 1.00 0.00 N ATOM 352 CA SER A 25 -17.690 23.684 -15.963 1.00 0.00 C ATOM 353 C SER A 25 -18.504 23.830 -14.663 1.00 0.00 C ATOM 354 O SER A 25 -18.185 23.196 -13.649 1.00 0.00 O ATOM 355 CB SER A 25 -17.806 22.247 -16.525 1.00 0.00 C ATOM 356 OG SER A 25 -17.014 22.101 -17.691 1.00 0.00 O ATOM 0 H SER A 25 -15.625 23.271 -16.012 1.00 0.00 H new ATOM 0 HA SER A 25 -18.098 24.383 -16.693 1.00 0.00 H new ATOM 0 HB2 SER A 25 -17.487 21.529 -15.770 1.00 0.00 H new ATOM 0 HB3 SER A 25 -18.848 22.024 -16.756 1.00 0.00 H new ATOM 0 HG SER A 25 -17.098 21.186 -18.031 1.00 0.00 H new ATOM 362 N TYR A 26 -19.583 24.629 -14.737 1.00 0.00 N ATOM 363 CA TYR A 26 -20.309 25.093 -13.549 1.00 0.00 C ATOM 364 C TYR A 26 -21.052 23.943 -12.879 1.00 0.00 C ATOM 365 O TYR A 26 -20.995 23.834 -11.673 1.00 0.00 O ATOM 366 CB TYR A 26 -21.263 26.281 -13.880 1.00 0.00 C ATOM 367 CG TYR A 26 -22.246 26.057 -15.058 1.00 0.00 C ATOM 368 CD1 TYR A 26 -21.894 26.418 -16.366 1.00 0.00 C ATOM 369 CD2 TYR A 26 -23.522 25.515 -14.859 1.00 0.00 C ATOM 370 CE1 TYR A 26 -22.770 26.248 -17.418 1.00 0.00 C ATOM 371 CE2 TYR A 26 -24.394 25.340 -15.914 1.00 0.00 C ATOM 372 CZ TYR A 26 -24.015 25.709 -17.186 1.00 0.00 C ATOM 373 OH TYR A 26 -24.896 25.554 -18.230 1.00 0.00 O ATOM 0 H TYR A 26 -19.972 24.968 -15.617 1.00 0.00 H new ATOM 0 HA TYR A 26 -19.572 25.469 -12.839 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -21.844 26.514 -12.988 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -20.655 27.158 -14.102 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -20.917 26.838 -16.554 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -23.828 25.229 -13.864 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -22.481 26.536 -18.418 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -25.372 24.915 -15.743 1.00 0.00 H new ATOM 0 HH TYR A 26 -25.729 25.159 -17.899 1.00 0.00 H new ATOM 383 N ASP A 27 -21.662 23.063 -13.703 1.00 0.00 N ATOM 384 CA ASP A 27 -22.500 21.924 -13.253 1.00 0.00 C ATOM 385 C ASP A 27 -21.818 21.100 -12.142 1.00 0.00 C ATOM 386 O ASP A 27 -22.384 20.902 -11.064 1.00 0.00 O ATOM 387 CB ASP A 27 -22.809 21.022 -14.482 1.00 0.00 C ATOM 388 CG ASP A 27 -23.610 19.749 -14.156 1.00 0.00 C ATOM 389 OD1 ASP A 27 -23.054 18.633 -14.246 1.00 0.00 O ATOM 390 OD2 ASP A 27 -24.804 19.868 -13.797 1.00 0.00 O ATOM 0 H ASP A 27 -21.586 23.123 -14.718 1.00 0.00 H new ATOM 0 HA ASP A 27 -23.422 22.320 -12.827 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -23.364 21.607 -15.215 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -21.868 20.734 -14.950 1.00 0.00 H new ATOM 395 N GLU A 28 -20.566 20.717 -12.413 1.00 0.00 N ATOM 396 CA GLU A 28 -19.768 19.851 -11.537 1.00 0.00 C ATOM 397 C GLU A 28 -19.462 20.554 -10.204 1.00 0.00 C ATOM 398 O GLU A 28 -19.612 19.978 -9.132 1.00 0.00 O ATOM 399 CB GLU A 28 -18.447 19.488 -12.256 1.00 0.00 C ATOM 400 CG GLU A 28 -18.622 18.962 -13.699 1.00 0.00 C ATOM 401 CD GLU A 28 -17.289 18.568 -14.350 1.00 0.00 C ATOM 402 OE1 GLU A 28 -16.577 19.459 -14.862 1.00 0.00 O ATOM 403 OE2 GLU A 28 -16.943 17.368 -14.343 1.00 0.00 O ATOM 0 H GLU A 28 -20.071 21.003 -13.258 1.00 0.00 H new ATOM 0 HA GLU A 28 -20.335 18.946 -11.320 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -17.808 20.371 -12.280 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -17.925 18.732 -11.669 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -19.286 18.098 -13.689 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -19.105 19.728 -14.305 1.00 0.00 H new ATOM 410 N LYS A 29 -19.050 21.826 -10.314 1.00 0.00 N ATOM 411 CA LYS A 29 -18.587 22.655 -9.186 1.00 0.00 C ATOM 412 C LYS A 29 -19.764 23.179 -8.341 1.00 0.00 C ATOM 413 O LYS A 29 -19.586 23.497 -7.163 1.00 0.00 O ATOM 414 CB LYS A 29 -17.629 23.783 -9.686 1.00 0.00 C ATOM 415 CG LYS A 29 -16.199 23.276 -10.088 1.00 0.00 C ATOM 416 CD LYS A 29 -16.190 22.333 -11.329 1.00 0.00 C ATOM 417 CE LYS A 29 -14.929 21.458 -11.455 1.00 0.00 C ATOM 418 NZ LYS A 29 -13.728 22.226 -11.817 1.00 0.00 N ATOM 0 H LYS A 29 -19.028 22.319 -11.207 1.00 0.00 H new ATOM 0 HA LYS A 29 -18.004 22.027 -8.512 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -18.083 24.276 -10.545 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -17.530 24.535 -8.903 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -15.563 24.137 -10.294 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -15.759 22.750 -9.241 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -17.064 21.684 -11.283 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -16.289 22.938 -12.230 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -14.754 20.945 -10.509 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -15.102 20.689 -12.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -13.396 21.929 -12.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -13.957 23.240 -11.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -12.980 22.052 -11.115 1.00 0.00 H new ATOM 432 N ARG A 30 -20.961 23.230 -8.951 1.00 0.00 N ATOM 433 CA ARG A 30 -22.224 23.530 -8.242 1.00 0.00 C ATOM 434 C ARG A 30 -22.676 22.301 -7.425 1.00 0.00 C ATOM 435 O ARG A 30 -23.401 22.428 -6.434 1.00 0.00 O ATOM 436 CB ARG A 30 -23.329 23.944 -9.250 1.00 0.00 C ATOM 437 CG ARG A 30 -23.104 25.309 -9.944 1.00 0.00 C ATOM 438 CD ARG A 30 -24.269 25.700 -10.859 1.00 0.00 C ATOM 439 NE ARG A 30 -25.538 25.733 -10.117 1.00 0.00 N ATOM 440 CZ ARG A 30 -26.757 25.723 -10.663 1.00 0.00 C ATOM 441 NH1 ARG A 30 -26.925 25.752 -11.978 1.00 0.00 N ATOM 442 NH2 ARG A 30 -27.819 25.699 -9.880 1.00 0.00 N ATOM 0 H ARG A 30 -21.083 23.065 -9.950 1.00 0.00 H new ATOM 0 HA ARG A 30 -22.052 24.363 -7.560 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -23.408 23.173 -10.016 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -24.285 23.973 -8.727 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -22.967 26.080 -9.186 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -22.185 25.269 -10.528 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -24.077 26.678 -11.300 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -24.344 24.989 -11.682 1.00 0.00 H new ATOM 0 HE ARG A 30 -25.483 25.766 -9.099 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -26.114 25.783 -12.595 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -27.866 25.744 -12.372 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -27.705 25.688 -8.866 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -28.754 25.691 -10.288 1.00 0.00 H new ATOM 456 N GLN A 31 -22.252 21.106 -7.870 1.00 0.00 N ATOM 457 CA GLN A 31 -22.430 19.852 -7.108 1.00 0.00 C ATOM 458 C GLN A 31 -21.322 19.707 -6.039 1.00 0.00 C ATOM 459 O GLN A 31 -21.497 18.990 -5.048 1.00 0.00 O ATOM 460 CB GLN A 31 -22.440 18.651 -8.084 1.00 0.00 C ATOM 461 CG GLN A 31 -23.587 18.706 -9.124 1.00 0.00 C ATOM 462 CD GLN A 31 -23.500 17.642 -10.216 1.00 0.00 C ATOM 463 OE1 GLN A 31 -23.001 16.534 -10.004 1.00 0.00 O ATOM 464 NE2 GLN A 31 -23.958 17.981 -11.407 1.00 0.00 N ATOM 0 H GLN A 31 -21.778 20.979 -8.764 1.00 0.00 H new ATOM 0 HA GLN A 31 -23.386 19.877 -6.584 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -21.486 18.613 -8.610 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -22.525 17.728 -7.510 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -24.539 18.598 -8.603 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -23.590 19.690 -9.592 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -24.366 18.905 -11.553 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -23.904 17.319 -12.181 1.00 0.00 H new ATOM 473 N LEU A 32 -20.180 20.400 -6.250 1.00 0.00 N ATOM 474 CA LEU A 32 -19.126 20.535 -5.217 1.00 0.00 C ATOM 475 C LEU A 32 -19.566 21.558 -4.151 1.00 0.00 C ATOM 476 O LEU A 32 -19.024 21.572 -3.038 1.00 0.00 O ATOM 477 CB LEU A 32 -17.747 20.955 -5.819 1.00 0.00 C ATOM 478 CG LEU A 32 -17.174 20.075 -6.986 1.00 0.00 C ATOM 479 CD1 LEU A 32 -15.718 20.474 -7.344 1.00 0.00 C ATOM 480 CD2 LEU A 32 -17.297 18.563 -6.705 1.00 0.00 C ATOM 0 H LEU A 32 -19.964 20.875 -7.127 1.00 0.00 H new ATOM 0 HA LEU A 32 -18.993 19.554 -4.761 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -17.835 21.980 -6.181 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -17.015 20.963 -5.012 1.00 0.00 H new ATOM 0 HG LEU A 32 -17.794 20.279 -7.859 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -15.357 19.842 -8.156 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -15.693 21.518 -7.658 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -15.079 20.343 -6.470 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -16.886 18.002 -7.544 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -16.746 18.315 -5.798 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -18.347 18.302 -6.574 1.00 0.00 H new ATOM 492 N SER A 33 -20.534 22.438 -4.517 1.00 0.00 N ATOM 493 CA SER A 33 -21.164 23.370 -3.569 1.00 0.00 C ATOM 494 C SER A 33 -21.930 22.595 -2.485 1.00 0.00 C ATOM 495 O SER A 33 -22.051 23.073 -1.377 1.00 0.00 O ATOM 496 CB SER A 33 -22.098 24.380 -4.279 1.00 0.00 C ATOM 497 OG SER A 33 -22.587 25.387 -3.386 1.00 0.00 O ATOM 0 H SER A 33 -20.891 22.515 -5.469 1.00 0.00 H new ATOM 0 HA SER A 33 -20.367 23.945 -3.098 1.00 0.00 H new ATOM 0 HB2 SER A 33 -21.560 24.855 -5.099 1.00 0.00 H new ATOM 0 HB3 SER A 33 -22.941 23.846 -4.718 1.00 0.00 H new ATOM 0 HG SER A 33 -23.171 26.003 -3.876 1.00 0.00 H new ATOM 503 N LEU A 34 -22.418 21.384 -2.802 1.00 0.00 N ATOM 504 CA LEU A 34 -23.072 20.505 -1.804 1.00 0.00 C ATOM 505 C LEU A 34 -22.084 20.122 -0.674 1.00 0.00 C ATOM 506 O LEU A 34 -22.479 19.978 0.494 1.00 0.00 O ATOM 507 CB LEU A 34 -23.634 19.235 -2.487 1.00 0.00 C ATOM 508 CG LEU A 34 -24.679 19.480 -3.628 1.00 0.00 C ATOM 509 CD1 LEU A 34 -25.125 18.150 -4.279 1.00 0.00 C ATOM 510 CD2 LEU A 34 -25.894 20.299 -3.117 1.00 0.00 C ATOM 0 H LEU A 34 -22.374 20.987 -3.740 1.00 0.00 H new ATOM 0 HA LEU A 34 -23.901 21.055 -1.358 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -22.800 18.668 -2.900 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -24.097 18.610 -1.724 1.00 0.00 H new ATOM 0 HG LEU A 34 -24.189 20.073 -4.400 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -25.850 18.356 -5.067 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -24.258 17.645 -4.706 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -25.581 17.510 -3.524 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -26.600 20.451 -3.934 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -26.385 19.756 -2.309 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -25.552 21.266 -2.748 1.00 0.00 H new ATOM 522 N ASP A 35 -20.791 20.008 -1.046 1.00 0.00 N ATOM 523 CA ASP A 35 -19.707 19.618 -0.122 1.00 0.00 C ATOM 524 C ASP A 35 -19.329 20.794 0.802 1.00 0.00 C ATOM 525 O ASP A 35 -18.982 20.581 1.969 1.00 0.00 O ATOM 526 CB ASP A 35 -18.462 19.121 -0.915 1.00 0.00 C ATOM 527 CG ASP A 35 -17.490 18.279 -0.051 1.00 0.00 C ATOM 528 OD1 ASP A 35 -17.608 17.038 -0.070 1.00 0.00 O ATOM 529 OD2 ASP A 35 -16.658 18.848 0.693 1.00 0.00 O ATOM 0 H ASP A 35 -20.470 20.184 -1.998 1.00 0.00 H new ATOM 0 HA ASP A 35 -20.067 18.798 0.499 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -18.794 18.524 -1.765 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -17.928 19.981 -1.319 1.00 0.00 H new ATOM 534 N ILE A 36 -19.398 22.035 0.271 1.00 0.00 N ATOM 535 CA ILE A 36 -19.112 23.249 1.063 1.00 0.00 C ATOM 536 C ILE A 36 -20.342 23.628 1.931 1.00 0.00 C ATOM 537 O ILE A 36 -20.193 24.196 3.001 1.00 0.00 O ATOM 538 CB ILE A 36 -18.630 24.468 0.158 1.00 0.00 C ATOM 539 CG1 ILE A 36 -17.938 25.588 1.010 1.00 0.00 C ATOM 540 CG2 ILE A 36 -19.783 25.075 -0.675 1.00 0.00 C ATOM 541 CD1 ILE A 36 -17.427 26.786 0.211 1.00 0.00 C ATOM 0 H ILE A 36 -19.649 22.221 -0.700 1.00 0.00 H new ATOM 0 HA ILE A 36 -18.279 23.020 1.728 1.00 0.00 H new ATOM 0 HB ILE A 36 -17.896 24.055 -0.534 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -18.647 25.945 1.757 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -17.100 25.147 1.550 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -19.403 25.902 -1.274 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -20.198 24.311 -1.333 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -20.562 25.440 -0.006 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -16.965 27.505 0.888 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -16.690 26.449 -0.518 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -18.260 27.260 -0.308 1.00 0.00 H new ATOM 553 N ASN A 37 -21.560 23.260 1.474 1.00 0.00 N ATOM 554 CA ASN A 37 -22.828 23.571 2.190 1.00 0.00 C ATOM 555 C ASN A 37 -22.983 22.728 3.473 1.00 0.00 C ATOM 556 O ASN A 37 -23.615 23.178 4.438 1.00 0.00 O ATOM 557 CB ASN A 37 -24.066 23.368 1.258 1.00 0.00 C ATOM 558 CG ASN A 37 -24.249 24.480 0.209 1.00 0.00 C ATOM 559 OD1 ASN A 37 -23.296 25.155 -0.182 1.00 0.00 O ATOM 560 ND2 ASN A 37 -25.468 24.655 -0.283 1.00 0.00 N ATOM 0 H ASN A 37 -21.697 22.743 0.606 1.00 0.00 H new ATOM 0 HA ASN A 37 -22.779 24.620 2.481 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -23.969 22.411 0.745 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -24.965 23.310 1.872 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -25.632 25.361 -1.001 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -26.242 24.084 0.057 1.00 0.00 H new ATOM 567 N LYS A 38 -22.415 21.502 3.477 1.00 0.00 N ATOM 568 CA LYS A 38 -22.448 20.622 4.675 1.00 0.00 C ATOM 569 C LYS A 38 -21.376 21.022 5.711 1.00 0.00 C ATOM 570 O LYS A 38 -21.368 20.493 6.833 1.00 0.00 O ATOM 571 CB LYS A 38 -22.307 19.124 4.292 1.00 0.00 C ATOM 572 CG LYS A 38 -21.000 18.749 3.561 1.00 0.00 C ATOM 573 CD LYS A 38 -20.803 17.219 3.447 1.00 0.00 C ATOM 574 CE LYS A 38 -19.620 16.832 2.540 1.00 0.00 C ATOM 575 NZ LYS A 38 -18.341 17.499 2.925 1.00 0.00 N ATOM 0 H LYS A 38 -21.932 21.099 2.674 1.00 0.00 H new ATOM 0 HA LYS A 38 -23.426 20.760 5.137 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -22.380 18.526 5.200 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -23.150 18.847 3.659 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -21.008 19.186 2.563 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -20.153 19.183 4.093 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -20.642 16.804 4.442 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -21.716 16.768 3.057 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -19.483 15.751 2.574 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -19.861 17.091 1.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -17.588 17.212 2.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -18.462 18.531 2.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -18.081 17.219 3.892 1.00 0.00 H new ATOM 589 N LEU A 39 -20.471 21.944 5.329 1.00 0.00 N ATOM 590 CA LEU A 39 -19.544 22.580 6.282 1.00 0.00 C ATOM 591 C LEU A 39 -20.350 23.584 7.142 1.00 0.00 C ATOM 592 O LEU A 39 -21.193 24.295 6.585 1.00 0.00 O ATOM 593 CB LEU A 39 -18.378 23.302 5.547 1.00 0.00 C ATOM 594 CG LEU A 39 -17.487 22.410 4.623 1.00 0.00 C ATOM 595 CD1 LEU A 39 -16.403 23.245 3.897 1.00 0.00 C ATOM 596 CD2 LEU A 39 -16.853 21.235 5.409 1.00 0.00 C ATOM 0 H LEU A 39 -20.363 22.264 4.367 1.00 0.00 H new ATOM 0 HA LEU A 39 -19.094 21.815 6.915 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -18.799 24.106 4.944 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -17.737 23.767 6.296 1.00 0.00 H new ATOM 0 HG LEU A 39 -18.140 21.985 3.861 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -15.803 22.591 3.264 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -16.882 24.006 3.281 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -15.760 23.726 4.634 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -16.240 20.636 4.736 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -16.231 21.629 6.213 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -17.642 20.613 5.832 1.00 0.00 H new ATOM 608 N PRO A 40 -20.127 23.631 8.505 1.00 0.00 N ATOM 609 CA PRO A 40 -20.907 24.498 9.443 1.00 0.00 C ATOM 610 C PRO A 40 -20.985 25.974 8.998 1.00 0.00 C ATOM 611 O PRO A 40 -20.035 26.480 8.399 1.00 0.00 O ATOM 612 CB PRO A 40 -20.130 24.365 10.781 1.00 0.00 C ATOM 613 CG PRO A 40 -19.483 23.019 10.701 1.00 0.00 C ATOM 614 CD PRO A 40 -19.109 22.832 9.240 1.00 0.00 C ATOM 0 HA PRO A 40 -21.950 24.185 9.500 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -19.389 25.157 10.891 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -20.800 24.434 11.638 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -18.602 22.969 11.341 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -20.164 22.236 11.035 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -18.099 23.188 9.037 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -19.141 21.782 8.951 1.00 0.00 H new ATOM 622 N GLY A 41 -22.116 26.645 9.303 1.00 0.00 N ATOM 623 CA GLY A 41 -22.333 28.056 8.932 1.00 0.00 C ATOM 624 C GLY A 41 -21.276 28.997 9.520 1.00 0.00 C ATOM 625 O GLY A 41 -20.848 29.958 8.863 1.00 0.00 O ATOM 0 H GLY A 41 -22.897 26.227 9.809 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -22.328 28.146 7.846 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -23.320 28.368 9.273 1.00 0.00 H new ATOM 629 N GLU A 42 -20.844 28.680 10.761 1.00 0.00 N ATOM 630 CA GLU A 42 -19.746 29.385 11.467 1.00 0.00 C ATOM 631 C GLU A 42 -18.402 29.201 10.720 1.00 0.00 C ATOM 632 O GLU A 42 -17.552 30.103 10.707 1.00 0.00 O ATOM 633 CB GLU A 42 -19.630 28.849 12.928 1.00 0.00 C ATOM 634 CG GLU A 42 -19.239 27.355 13.029 1.00 0.00 C ATOM 635 CD GLU A 42 -19.276 26.785 14.457 1.00 0.00 C ATOM 636 OE1 GLU A 42 -18.253 26.862 15.171 1.00 0.00 O ATOM 637 OE2 GLU A 42 -20.317 26.228 14.861 1.00 0.00 O ATOM 0 H GLU A 42 -21.250 27.921 11.307 1.00 0.00 H new ATOM 0 HA GLU A 42 -19.976 30.450 11.492 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -18.889 29.443 13.463 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -20.584 28.998 13.434 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -19.912 26.772 12.400 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -18.235 27.226 12.625 1.00 0.00 H new ATOM 644 N LYS A 43 -18.250 28.022 10.086 1.00 0.00 N ATOM 645 CA LYS A 43 -17.023 27.623 9.379 1.00 0.00 C ATOM 646 C LYS A 43 -17.006 28.221 7.970 1.00 0.00 C ATOM 647 O LYS A 43 -15.942 28.450 7.412 1.00 0.00 O ATOM 648 CB LYS A 43 -16.922 26.066 9.306 1.00 0.00 C ATOM 649 CG LYS A 43 -15.530 25.484 8.882 1.00 0.00 C ATOM 650 CD LYS A 43 -14.590 25.180 10.084 1.00 0.00 C ATOM 651 CE LYS A 43 -14.145 26.424 10.886 1.00 0.00 C ATOM 652 NZ LYS A 43 -13.512 26.055 12.184 1.00 0.00 N ATOM 0 H LYS A 43 -18.984 27.315 10.051 1.00 0.00 H new ATOM 0 HA LYS A 43 -16.163 28.003 9.931 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -17.180 25.659 10.284 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -17.673 25.706 8.603 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -15.687 24.567 8.313 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -15.037 26.192 8.216 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -15.097 24.491 10.760 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -13.703 24.667 9.713 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -13.440 27.006 10.291 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -15.008 27.063 11.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -13.228 26.918 12.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -14.192 25.522 12.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -12.673 25.467 12.006 1.00 0.00 H new ATOM 666 N LEU A 44 -18.206 28.475 7.408 1.00 0.00 N ATOM 667 CA LEU A 44 -18.369 29.121 6.088 1.00 0.00 C ATOM 668 C LEU A 44 -18.027 30.607 6.166 1.00 0.00 C ATOM 669 O LEU A 44 -17.613 31.203 5.175 1.00 0.00 O ATOM 670 CB LEU A 44 -19.794 28.879 5.525 1.00 0.00 C ATOM 671 CG LEU A 44 -20.109 27.386 5.182 1.00 0.00 C ATOM 672 CD1 LEU A 44 -21.498 27.224 4.525 1.00 0.00 C ATOM 673 CD2 LEU A 44 -18.991 26.779 4.298 1.00 0.00 C ATOM 0 H LEU A 44 -19.091 28.238 7.857 1.00 0.00 H new ATOM 0 HA LEU A 44 -17.667 28.664 5.390 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -20.524 29.234 6.253 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -19.923 29.481 4.625 1.00 0.00 H new ATOM 0 HG LEU A 44 -20.138 26.833 6.121 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -21.675 26.172 4.304 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -22.267 27.586 5.207 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -21.533 27.800 3.600 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -19.230 25.740 4.071 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -18.914 27.345 3.369 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -18.041 26.825 4.830 1.00 0.00 H new ATOM 685 N GLY A 45 -18.167 31.194 7.367 1.00 0.00 N ATOM 686 CA GLY A 45 -17.638 32.535 7.639 1.00 0.00 C ATOM 687 C GLY A 45 -16.103 32.622 7.566 1.00 0.00 C ATOM 688 O GLY A 45 -15.533 33.714 7.667 1.00 0.00 O ATOM 0 H GLY A 45 -18.640 30.760 8.160 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -18.067 33.237 6.924 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -17.964 32.850 8.630 1.00 0.00 H new ATOM 692 N ARG A 46 -15.441 31.451 7.412 1.00 0.00 N ATOM 693 CA ARG A 46 -13.984 31.332 7.232 1.00 0.00 C ATOM 694 C ARG A 46 -13.655 30.855 5.795 1.00 0.00 C ATOM 695 O ARG A 46 -12.826 31.461 5.100 1.00 0.00 O ATOM 696 CB ARG A 46 -13.415 30.324 8.278 1.00 0.00 C ATOM 697 CG ARG A 46 -13.706 30.685 9.755 1.00 0.00 C ATOM 698 CD ARG A 46 -13.147 32.064 10.152 1.00 0.00 C ATOM 699 NE ARG A 46 -11.698 32.175 9.890 1.00 0.00 N ATOM 700 CZ ARG A 46 -10.938 33.244 10.176 1.00 0.00 C ATOM 701 NH1 ARG A 46 -11.462 34.327 10.737 1.00 0.00 N ATOM 702 NH2 ARG A 46 -9.646 33.232 9.896 1.00 0.00 N ATOM 0 H ARG A 46 -15.918 30.549 7.410 1.00 0.00 H new ATOM 0 HA ARG A 46 -13.523 32.308 7.383 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -13.829 29.337 8.072 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -12.336 30.252 8.142 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -14.783 30.672 9.922 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -13.274 29.922 10.403 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -13.675 32.841 9.599 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -13.338 32.240 11.211 1.00 0.00 H new ATOM 0 HE ARG A 46 -11.237 31.375 9.457 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -12.457 34.356 10.958 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -10.869 35.130 10.947 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -9.226 32.410 9.462 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -9.069 34.045 10.114 1.00 0.00 H new ATOM 716 N VAL A 47 -14.337 29.769 5.371 1.00 0.00 N ATOM 717 CA VAL A 47 -14.092 29.081 4.082 1.00 0.00 C ATOM 718 C VAL A 47 -14.553 29.949 2.899 1.00 0.00 C ATOM 719 O VAL A 47 -13.796 30.175 1.947 1.00 0.00 O ATOM 720 CB VAL A 47 -14.814 27.668 4.049 1.00 0.00 C ATOM 721 CG1 VAL A 47 -14.679 26.971 2.671 1.00 0.00 C ATOM 722 CG2 VAL A 47 -14.273 26.752 5.176 1.00 0.00 C ATOM 0 H VAL A 47 -15.082 29.339 5.920 1.00 0.00 H new ATOM 0 HA VAL A 47 -13.018 28.919 3.989 1.00 0.00 H new ATOM 0 HB VAL A 47 -15.876 27.847 4.217 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -15.189 26.008 2.699 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -15.128 27.598 1.901 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -13.624 26.816 2.443 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -14.780 25.788 5.137 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -13.202 26.604 5.042 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -14.456 27.219 6.144 1.00 0.00 H new ATOM 732 N VAL A 48 -15.803 30.434 2.974 1.00 0.00 N ATOM 733 CA VAL A 48 -16.381 31.325 1.951 1.00 0.00 C ATOM 734 C VAL A 48 -15.733 32.724 2.006 1.00 0.00 C ATOM 735 O VAL A 48 -15.687 33.415 0.991 1.00 0.00 O ATOM 736 CB VAL A 48 -17.948 31.449 2.107 1.00 0.00 C ATOM 737 CG1 VAL A 48 -18.553 32.492 1.137 1.00 0.00 C ATOM 738 CG2 VAL A 48 -18.632 30.068 1.936 1.00 0.00 C ATOM 0 H VAL A 48 -16.440 30.222 3.742 1.00 0.00 H new ATOM 0 HA VAL A 48 -16.170 30.878 0.980 1.00 0.00 H new ATOM 0 HB VAL A 48 -18.142 31.806 3.118 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -19.632 32.541 1.282 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -18.115 33.470 1.336 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -18.338 32.200 0.109 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -19.710 30.180 2.048 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -18.409 29.672 0.945 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -18.258 29.380 2.694 1.00 0.00 H new ATOM 748 N HIS A 49 -15.190 33.104 3.183 1.00 0.00 N ATOM 749 CA HIS A 49 -14.686 34.470 3.445 1.00 0.00 C ATOM 750 C HIS A 49 -13.630 34.922 2.410 1.00 0.00 C ATOM 751 O HIS A 49 -13.643 36.074 1.975 1.00 0.00 O ATOM 752 CB HIS A 49 -14.112 34.581 4.876 1.00 0.00 C ATOM 753 CG HIS A 49 -13.836 35.999 5.303 1.00 0.00 C ATOM 754 ND1 HIS A 49 -12.620 36.461 5.761 1.00 0.00 N ATOM 755 CD2 HIS A 49 -14.670 37.073 5.310 1.00 0.00 C ATOM 756 CE1 HIS A 49 -12.752 37.764 6.037 1.00 0.00 C ATOM 757 NE2 HIS A 49 -13.978 38.186 5.780 1.00 0.00 N ATOM 0 H HIS A 49 -15.089 32.473 3.978 1.00 0.00 H new ATOM 0 HA HIS A 49 -15.541 35.140 3.350 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -14.814 34.129 5.577 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -13.188 34.006 4.934 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -15.705 37.064 5.000 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -11.959 38.390 6.420 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -14.342 39.131 5.901 1.00 0.00 H new ATOM 765 N ILE A 50 -12.744 33.987 2.012 1.00 0.00 N ATOM 766 CA ILE A 50 -11.693 34.242 1.002 1.00 0.00 C ATOM 767 C ILE A 50 -12.314 34.430 -0.409 1.00 0.00 C ATOM 768 O ILE A 50 -11.877 35.287 -1.185 1.00 0.00 O ATOM 769 CB ILE A 50 -10.606 33.087 0.986 1.00 0.00 C ATOM 770 CG1 ILE A 50 -11.231 31.704 0.575 1.00 0.00 C ATOM 771 CG2 ILE A 50 -9.904 32.988 2.369 1.00 0.00 C ATOM 772 CD1 ILE A 50 -10.241 30.560 0.413 1.00 0.00 C ATOM 0 H ILE A 50 -12.735 33.036 2.380 1.00 0.00 H new ATOM 0 HA ILE A 50 -11.189 35.167 1.282 1.00 0.00 H new ATOM 0 HB ILE A 50 -9.861 33.341 0.232 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -11.968 31.420 1.327 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -11.768 31.833 -0.365 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -9.161 32.191 2.343 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -9.414 33.935 2.597 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -10.645 32.769 3.138 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -10.776 29.654 0.129 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -9.517 30.812 -0.362 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -9.720 30.393 1.356 1.00 0.00 H new ATOM 784 N ILE A 51 -13.371 33.650 -0.692 1.00 0.00 N ATOM 785 CA ILE A 51 -14.044 33.612 -2.009 1.00 0.00 C ATOM 786 C ILE A 51 -14.833 34.917 -2.255 1.00 0.00 C ATOM 787 O ILE A 51 -14.802 35.490 -3.353 1.00 0.00 O ATOM 788 CB ILE A 51 -15.025 32.379 -2.070 1.00 0.00 C ATOM 789 CG1 ILE A 51 -14.272 31.058 -1.685 1.00 0.00 C ATOM 790 CG2 ILE A 51 -15.700 32.255 -3.465 1.00 0.00 C ATOM 791 CD1 ILE A 51 -15.173 29.869 -1.400 1.00 0.00 C ATOM 0 H ILE A 51 -13.790 33.020 -0.008 1.00 0.00 H new ATOM 0 HA ILE A 51 -13.284 33.513 -2.784 1.00 0.00 H new ATOM 0 HB ILE A 51 -15.819 32.545 -1.342 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -13.593 30.795 -2.496 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -13.659 31.250 -0.805 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -16.369 31.395 -3.470 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -16.271 33.160 -3.675 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -14.934 32.124 -4.229 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -14.563 29.003 -1.143 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -15.835 30.106 -0.567 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -15.768 29.643 -2.285 1.00 0.00 H new ATOM 803 N GLN A 52 -15.534 35.372 -1.202 1.00 0.00 N ATOM 804 CA GLN A 52 -16.362 36.587 -1.250 1.00 0.00 C ATOM 805 C GLN A 52 -15.492 37.855 -1.100 1.00 0.00 C ATOM 806 O GLN A 52 -15.905 38.937 -1.500 1.00 0.00 O ATOM 807 CB GLN A 52 -17.487 36.526 -0.175 1.00 0.00 C ATOM 808 CG GLN A 52 -17.006 36.482 1.285 1.00 0.00 C ATOM 809 CD GLN A 52 -18.133 36.468 2.335 1.00 0.00 C ATOM 810 OE1 GLN A 52 -17.957 36.967 3.444 1.00 0.00 O ATOM 811 NE2 GLN A 52 -19.287 35.895 2.010 1.00 0.00 N ATOM 0 H GLN A 52 -15.542 34.907 -0.294 1.00 0.00 H new ATOM 0 HA GLN A 52 -16.843 36.640 -2.227 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -18.133 37.395 -0.300 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -18.099 35.644 -0.364 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -16.389 35.594 1.423 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -16.368 37.346 1.469 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -19.411 35.487 1.083 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -20.049 35.863 2.687 1.00 0.00 H new ATOM 820 N ALA A 53 -14.273 37.696 -0.533 1.00 0.00 N ATOM 821 CA ALA A 53 -13.267 38.782 -0.473 1.00 0.00 C ATOM 822 C ALA A 53 -12.717 39.069 -1.876 1.00 0.00 C ATOM 823 O ALA A 53 -12.430 40.221 -2.225 1.00 0.00 O ATOM 824 CB ALA A 53 -12.125 38.414 0.492 1.00 0.00 C ATOM 0 H ALA A 53 -13.962 36.822 -0.109 1.00 0.00 H new ATOM 0 HA ALA A 53 -13.751 39.683 -0.096 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -11.397 39.225 0.521 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -12.530 38.254 1.491 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -11.638 37.502 0.148 1.00 0.00 H new ATOM 830 N ARG A 54 -12.576 37.984 -2.665 1.00 0.00 N ATOM 831 CA ARG A 54 -12.150 38.044 -4.068 1.00 0.00 C ATOM 832 C ARG A 54 -13.186 38.806 -4.918 1.00 0.00 C ATOM 833 O ARG A 54 -12.862 39.833 -5.533 1.00 0.00 O ATOM 834 CB ARG A 54 -11.938 36.601 -4.601 1.00 0.00 C ATOM 835 CG ARG A 54 -11.624 36.462 -6.108 1.00 0.00 C ATOM 836 CD ARG A 54 -10.335 37.178 -6.566 1.00 0.00 C ATOM 837 NE ARG A 54 -10.562 38.603 -6.879 1.00 0.00 N ATOM 838 CZ ARG A 54 -9.599 39.538 -6.966 1.00 0.00 C ATOM 839 NH1 ARG A 54 -8.332 39.231 -6.715 1.00 0.00 N ATOM 840 NH2 ARG A 54 -9.910 40.783 -7.278 1.00 0.00 N ATOM 0 H ARG A 54 -12.758 37.035 -2.338 1.00 0.00 H new ATOM 0 HA ARG A 54 -11.208 38.587 -4.138 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -11.122 36.146 -4.039 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -12.836 36.022 -4.385 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -11.542 35.403 -6.352 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -12.465 36.856 -6.679 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -9.580 37.097 -5.784 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -9.937 36.675 -7.447 1.00 0.00 H new ATOM 0 HE ARG A 54 -11.524 38.902 -7.042 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -8.080 38.278 -6.453 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -7.610 39.948 -6.784 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -10.882 41.037 -7.454 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -9.178 41.490 -7.343 1.00 0.00 H new ATOM 854 N GLU A 55 -14.424 38.291 -4.947 1.00 0.00 N ATOM 855 CA GLU A 55 -15.516 38.888 -5.736 1.00 0.00 C ATOM 856 C GLU A 55 -16.430 39.724 -4.822 1.00 0.00 C ATOM 857 O GLU A 55 -17.149 39.149 -3.993 1.00 0.00 O ATOM 858 CB GLU A 55 -16.306 37.784 -6.498 1.00 0.00 C ATOM 859 CG GLU A 55 -15.453 36.981 -7.510 1.00 0.00 C ATOM 860 CD GLU A 55 -14.725 37.875 -8.538 1.00 0.00 C ATOM 861 OE1 GLU A 55 -15.314 38.190 -9.598 1.00 0.00 O ATOM 862 OE2 GLU A 55 -13.559 38.278 -8.287 1.00 0.00 O ATOM 0 H GLU A 55 -14.697 37.456 -4.429 1.00 0.00 H new ATOM 0 HA GLU A 55 -15.094 39.557 -6.486 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -16.735 37.093 -5.772 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -17.138 38.248 -7.028 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -14.716 36.390 -6.966 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -16.096 36.279 -8.040 1.00 0.00 H new ATOM 869 N PRO A 56 -16.410 41.103 -4.962 1.00 0.00 N ATOM 870 CA PRO A 56 -17.185 42.034 -4.092 1.00 0.00 C ATOM 871 C PRO A 56 -18.706 41.768 -4.114 1.00 0.00 C ATOM 872 O PRO A 56 -19.399 42.007 -3.126 1.00 0.00 O ATOM 873 CB PRO A 56 -16.850 43.446 -4.664 1.00 0.00 C ATOM 874 CG PRO A 56 -15.551 43.260 -5.392 1.00 0.00 C ATOM 875 CD PRO A 56 -15.622 41.866 -5.975 1.00 0.00 C ATOM 0 HA PRO A 56 -16.913 41.916 -3.043 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -17.634 43.798 -5.335 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -16.756 44.184 -3.868 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -15.427 44.009 -6.174 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -14.702 43.362 -4.716 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -16.111 41.863 -6.949 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -14.629 41.439 -6.116 1.00 0.00 H new ATOM 883 N SER A 57 -19.191 41.252 -5.251 1.00 0.00 N ATOM 884 CA SER A 57 -20.610 40.916 -5.465 1.00 0.00 C ATOM 885 C SER A 57 -21.093 39.825 -4.476 1.00 0.00 C ATOM 886 O SER A 57 -22.249 39.834 -4.034 1.00 0.00 O ATOM 887 CB SER A 57 -20.787 40.447 -6.931 1.00 0.00 C ATOM 888 OG SER A 57 -20.207 41.371 -7.842 1.00 0.00 O ATOM 0 H SER A 57 -18.603 41.053 -6.060 1.00 0.00 H new ATOM 0 HA SER A 57 -21.220 41.800 -5.280 1.00 0.00 H new ATOM 0 HB2 SER A 57 -20.326 39.468 -7.060 1.00 0.00 H new ATOM 0 HB3 SER A 57 -21.848 40.332 -7.153 1.00 0.00 H new ATOM 0 HG SER A 57 -20.332 41.049 -8.759 1.00 0.00 H new ATOM 894 N LEU A 58 -20.172 38.914 -4.116 1.00 0.00 N ATOM 895 CA LEU A 58 -20.455 37.776 -3.224 1.00 0.00 C ATOM 896 C LEU A 58 -20.516 38.201 -1.738 1.00 0.00 C ATOM 897 O LEU A 58 -21.348 37.686 -0.990 1.00 0.00 O ATOM 898 CB LEU A 58 -19.390 36.664 -3.433 1.00 0.00 C ATOM 899 CG LEU A 58 -19.406 35.933 -4.816 1.00 0.00 C ATOM 900 CD1 LEU A 58 -18.253 34.902 -4.916 1.00 0.00 C ATOM 901 CD2 LEU A 58 -20.781 35.258 -5.080 1.00 0.00 C ATOM 0 H LEU A 58 -19.205 38.947 -4.438 1.00 0.00 H new ATOM 0 HA LEU A 58 -21.439 37.387 -3.483 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -18.404 37.106 -3.292 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -19.519 35.916 -2.650 1.00 0.00 H new ATOM 0 HG LEU A 58 -19.251 36.685 -5.589 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -18.289 34.409 -5.888 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -17.297 35.413 -4.803 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -18.361 34.157 -4.127 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -20.761 34.758 -6.048 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -20.983 34.526 -4.298 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -21.565 36.016 -5.079 1.00 0.00 H new ATOM 913 N ARG A 59 -19.636 39.144 -1.311 1.00 0.00 N ATOM 914 CA ARG A 59 -19.594 39.607 0.111 1.00 0.00 C ATOM 915 C ARG A 59 -20.783 40.518 0.473 1.00 0.00 C ATOM 916 O ARG A 59 -20.976 40.855 1.647 1.00 0.00 O ATOM 917 CB ARG A 59 -18.213 40.258 0.480 1.00 0.00 C ATOM 918 CG ARG A 59 -17.713 41.434 -0.409 1.00 0.00 C ATOM 919 CD ARG A 59 -18.442 42.768 -0.163 1.00 0.00 C ATOM 920 NE ARG A 59 -18.313 43.209 1.236 1.00 0.00 N ATOM 921 CZ ARG A 59 -19.260 43.850 1.941 1.00 0.00 C ATOM 922 NH1 ARG A 59 -20.438 44.134 1.401 1.00 0.00 N ATOM 923 NH2 ARG A 59 -19.018 44.198 3.194 1.00 0.00 N ATOM 0 H ARG A 59 -18.953 39.596 -1.918 1.00 0.00 H new ATOM 0 HA ARG A 59 -19.696 38.714 0.728 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -18.273 40.615 1.508 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -17.455 39.475 0.459 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -16.647 41.578 -0.234 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -17.830 41.157 -1.457 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -18.035 43.533 -0.825 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -19.497 42.658 -0.414 1.00 0.00 H new ATOM 0 HE ARG A 59 -17.431 43.011 1.709 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -20.635 43.865 0.437 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -21.146 44.621 1.950 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -18.117 43.979 3.619 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -19.732 44.685 3.735 1.00 0.00 H new ATOM 937 N ASP A 60 -21.568 40.913 -0.547 1.00 0.00 N ATOM 938 CA ASP A 60 -22.818 41.687 -0.365 1.00 0.00 C ATOM 939 C ASP A 60 -23.983 40.787 0.113 1.00 0.00 C ATOM 940 O ASP A 60 -25.112 41.267 0.275 1.00 0.00 O ATOM 941 CB ASP A 60 -23.195 42.425 -1.680 1.00 0.00 C ATOM 942 CG ASP A 60 -22.136 43.441 -2.148 1.00 0.00 C ATOM 943 OD1 ASP A 60 -21.543 44.146 -1.300 1.00 0.00 O ATOM 944 OD2 ASP A 60 -21.908 43.562 -3.370 1.00 0.00 O ATOM 0 H ASP A 60 -21.356 40.706 -1.523 1.00 0.00 H new ATOM 0 HA ASP A 60 -22.639 42.429 0.413 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -23.351 41.688 -2.468 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -24.143 42.943 -1.536 1.00 0.00 H new ATOM 949 N SER A 61 -23.701 39.486 0.308 1.00 0.00 N ATOM 950 CA SER A 61 -24.618 38.516 0.944 1.00 0.00 C ATOM 951 C SER A 61 -23.872 37.774 2.074 1.00 0.00 C ATOM 952 O SER A 61 -22.648 37.568 1.985 1.00 0.00 O ATOM 953 CB SER A 61 -25.157 37.519 -0.114 1.00 0.00 C ATOM 954 OG SER A 61 -24.108 36.843 -0.796 1.00 0.00 O ATOM 0 H SER A 61 -22.814 39.070 0.024 1.00 0.00 H new ATOM 0 HA SER A 61 -25.470 39.043 1.373 1.00 0.00 H new ATOM 0 HB2 SER A 61 -25.802 36.788 0.373 1.00 0.00 H new ATOM 0 HB3 SER A 61 -25.772 38.055 -0.837 1.00 0.00 H new ATOM 0 HG SER A 61 -23.254 37.280 -0.597 1.00 0.00 H new ATOM 960 N ASN A 62 -24.617 37.387 3.123 1.00 0.00 N ATOM 961 CA ASN A 62 -24.064 36.698 4.307 1.00 0.00 C ATOM 962 C ASN A 62 -23.540 35.296 3.936 1.00 0.00 C ATOM 963 O ASN A 62 -24.179 34.613 3.134 1.00 0.00 O ATOM 964 CB ASN A 62 -25.150 36.565 5.422 1.00 0.00 C ATOM 965 CG ASN A 62 -25.620 37.902 6.011 1.00 0.00 C ATOM 966 OD1 ASN A 62 -25.704 38.916 5.316 1.00 0.00 O ATOM 967 ND2 ASN A 62 -25.920 37.921 7.301 1.00 0.00 N ATOM 0 H ASN A 62 -25.624 37.543 3.176 1.00 0.00 H new ATOM 0 HA ASN A 62 -23.234 37.298 4.680 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -26.012 36.039 5.012 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -24.753 35.947 6.227 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -26.229 38.788 7.740 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -25.842 37.068 7.855 1.00 0.00 H new ATOM 974 N PRO A 63 -22.390 34.822 4.554 1.00 0.00 N ATOM 975 CA PRO A 63 -21.826 33.460 4.299 1.00 0.00 C ATOM 976 C PRO A 63 -22.770 32.311 4.756 1.00 0.00 C ATOM 977 O PRO A 63 -22.520 31.136 4.459 1.00 0.00 O ATOM 978 CB PRO A 63 -20.493 33.470 5.103 1.00 0.00 C ATOM 979 CG PRO A 63 -20.717 34.486 6.182 1.00 0.00 C ATOM 980 CD PRO A 63 -21.550 35.574 5.537 1.00 0.00 C ATOM 0 HA PRO A 63 -21.688 33.267 3.235 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -20.274 32.488 5.521 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -19.649 33.742 4.470 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -21.235 34.047 7.035 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -19.771 34.882 6.553 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -22.161 36.101 6.270 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -20.926 36.321 5.046 1.00 0.00 H new ATOM 988 N GLU A 64 -23.848 32.681 5.474 1.00 0.00 N ATOM 989 CA GLU A 64 -24.877 31.754 5.970 1.00 0.00 C ATOM 990 C GLU A 64 -25.876 31.361 4.857 1.00 0.00 C ATOM 991 O GLU A 64 -26.457 30.276 4.898 1.00 0.00 O ATOM 992 CB GLU A 64 -25.642 32.423 7.142 1.00 0.00 C ATOM 993 CG GLU A 64 -24.737 32.962 8.268 1.00 0.00 C ATOM 994 CD GLU A 64 -25.533 33.598 9.420 1.00 0.00 C ATOM 995 OE1 GLU A 64 -25.881 34.799 9.329 1.00 0.00 O ATOM 996 OE2 GLU A 64 -25.826 32.894 10.411 1.00 0.00 O ATOM 0 H GLU A 64 -24.029 33.652 5.729 1.00 0.00 H new ATOM 0 HA GLU A 64 -24.382 30.844 6.310 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -26.239 33.245 6.748 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -26.337 31.699 7.567 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -24.128 32.147 8.660 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -24.052 33.702 7.854 1.00 0.00 H new ATOM 1003 N GLU A 65 -26.083 32.263 3.881 1.00 0.00 N ATOM 1004 CA GLU A 65 -27.102 32.092 2.809 1.00 0.00 C ATOM 1005 C GLU A 65 -26.457 32.110 1.407 1.00 0.00 C ATOM 1006 O GLU A 65 -27.065 31.630 0.442 1.00 0.00 O ATOM 1007 CB GLU A 65 -28.166 33.221 2.920 1.00 0.00 C ATOM 1008 CG GLU A 65 -29.334 33.126 1.906 1.00 0.00 C ATOM 1009 CD GLU A 65 -30.272 34.340 1.927 1.00 0.00 C ATOM 1010 OE1 GLU A 65 -31.287 34.314 2.653 1.00 0.00 O ATOM 1011 OE2 GLU A 65 -30.001 35.331 1.221 1.00 0.00 O ATOM 0 H GLU A 65 -25.554 33.132 3.806 1.00 0.00 H new ATOM 0 HA GLU A 65 -27.579 31.121 2.942 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -28.579 33.211 3.929 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -27.669 34.182 2.789 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -28.924 33.013 0.903 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -29.913 32.227 2.116 1.00 0.00 H new ATOM 1018 N ILE A 66 -25.214 32.634 1.327 1.00 0.00 N ATOM 1019 CA ILE A 66 -24.525 32.968 0.056 1.00 0.00 C ATOM 1020 C ILE A 66 -24.532 31.807 -0.972 1.00 0.00 C ATOM 1021 O ILE A 66 -24.244 30.655 -0.638 1.00 0.00 O ATOM 1022 CB ILE A 66 -23.031 33.416 0.312 1.00 0.00 C ATOM 1023 CG1 ILE A 66 -22.349 33.930 -1.005 1.00 0.00 C ATOM 1024 CG2 ILE A 66 -22.205 32.267 0.956 1.00 0.00 C ATOM 1025 CD1 ILE A 66 -20.912 34.391 -0.850 1.00 0.00 C ATOM 0 H ILE A 66 -24.652 32.840 2.153 1.00 0.00 H new ATOM 0 HA ILE A 66 -25.095 33.794 -0.369 1.00 0.00 H new ATOM 0 HB ILE A 66 -23.056 34.249 1.015 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -22.380 33.132 -1.747 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -22.938 34.757 -1.402 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -21.181 32.603 1.121 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -22.653 31.987 1.909 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -22.201 31.404 0.290 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -20.531 34.727 -1.815 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -20.869 35.214 -0.137 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -20.302 33.564 -0.487 1.00 0.00 H new ATOM 1037 N GLU A 67 -24.908 32.129 -2.211 1.00 0.00 N ATOM 1038 CA GLU A 67 -24.722 31.250 -3.363 1.00 0.00 C ATOM 1039 C GLU A 67 -23.547 31.823 -4.176 1.00 0.00 C ATOM 1040 O GLU A 67 -23.527 33.019 -4.481 1.00 0.00 O ATOM 1041 CB GLU A 67 -26.037 31.161 -4.197 1.00 0.00 C ATOM 1042 CG GLU A 67 -26.224 29.846 -4.985 1.00 0.00 C ATOM 1043 CD GLU A 67 -25.177 29.596 -6.091 1.00 0.00 C ATOM 1044 OE1 GLU A 67 -24.174 28.898 -5.840 1.00 0.00 O ATOM 1045 OE2 GLU A 67 -25.361 30.107 -7.217 1.00 0.00 O ATOM 0 H GLU A 67 -25.354 33.016 -2.443 1.00 0.00 H new ATOM 0 HA GLU A 67 -24.491 30.229 -3.058 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -26.885 31.287 -3.524 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -26.061 31.994 -4.899 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -26.196 29.012 -4.284 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -27.216 29.849 -5.438 1.00 0.00 H new ATOM 1052 N ILE A 68 -22.569 30.972 -4.501 1.00 0.00 N ATOM 1053 CA ILE A 68 -21.343 31.380 -5.202 1.00 0.00 C ATOM 1054 C ILE A 68 -21.490 31.077 -6.703 1.00 0.00 C ATOM 1055 O ILE A 68 -21.580 29.910 -7.088 1.00 0.00 O ATOM 1056 CB ILE A 68 -20.094 30.637 -4.595 1.00 0.00 C ATOM 1057 CG1 ILE A 68 -19.988 30.893 -3.047 1.00 0.00 C ATOM 1058 CG2 ILE A 68 -18.793 31.064 -5.314 1.00 0.00 C ATOM 1059 CD1 ILE A 68 -18.883 30.117 -2.339 1.00 0.00 C ATOM 0 H ILE A 68 -22.604 29.976 -4.285 1.00 0.00 H new ATOM 0 HA ILE A 68 -21.188 32.451 -5.074 1.00 0.00 H new ATOM 0 HB ILE A 68 -20.230 29.567 -4.753 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -19.827 31.958 -2.880 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -20.942 30.639 -2.586 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -17.945 30.537 -4.876 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -18.865 30.818 -6.373 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -18.650 32.139 -5.200 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -18.891 30.361 -1.277 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -19.050 29.048 -2.467 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -17.917 30.387 -2.766 1.00 0.00 H new ATOM 1071 N ASP A 69 -21.531 32.133 -7.537 1.00 0.00 N ATOM 1072 CA ASP A 69 -21.735 31.997 -8.992 1.00 0.00 C ATOM 1073 C ASP A 69 -20.448 31.474 -9.670 1.00 0.00 C ATOM 1074 O ASP A 69 -19.561 32.267 -10.032 1.00 0.00 O ATOM 1075 CB ASP A 69 -22.164 33.350 -9.621 1.00 0.00 C ATOM 1076 CG ASP A 69 -23.322 34.037 -8.882 1.00 0.00 C ATOM 1077 OD1 ASP A 69 -24.500 33.716 -9.154 1.00 0.00 O ATOM 1078 OD2 ASP A 69 -23.060 34.905 -8.019 1.00 0.00 O ATOM 0 H ASP A 69 -21.425 33.098 -7.224 1.00 0.00 H new ATOM 0 HA ASP A 69 -22.536 31.276 -9.156 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -21.306 34.022 -9.636 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -22.456 33.182 -10.658 1.00 0.00 H new ATOM 1083 N PHE A 70 -20.355 30.137 -9.816 1.00 0.00 N ATOM 1084 CA PHE A 70 -19.166 29.444 -10.387 1.00 0.00 C ATOM 1085 C PHE A 70 -18.890 29.839 -11.854 1.00 0.00 C ATOM 1086 O PHE A 70 -17.755 29.706 -12.336 1.00 0.00 O ATOM 1087 CB PHE A 70 -19.330 27.903 -10.263 1.00 0.00 C ATOM 1088 CG PHE A 70 -19.386 27.409 -8.810 1.00 0.00 C ATOM 1089 CD1 PHE A 70 -18.220 27.203 -8.082 1.00 0.00 C ATOM 1090 CD2 PHE A 70 -20.607 27.169 -8.174 1.00 0.00 C ATOM 1091 CE1 PHE A 70 -18.270 26.773 -6.770 1.00 0.00 C ATOM 1092 CE2 PHE A 70 -20.655 26.740 -6.863 1.00 0.00 C ATOM 1093 CZ PHE A 70 -19.485 26.542 -6.159 1.00 0.00 C ATOM 0 H PHE A 70 -21.102 29.498 -9.542 1.00 0.00 H new ATOM 0 HA PHE A 70 -18.302 29.766 -9.806 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -20.242 27.600 -10.777 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -18.499 27.415 -10.773 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -17.262 27.381 -8.548 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -21.528 27.322 -8.717 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -17.354 26.617 -6.220 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -21.608 26.559 -6.388 1.00 0.00 H new ATOM 0 HZ PHE A 70 -19.520 26.207 -5.133 1.00 0.00 H new ATOM 1103 N GLU A 71 -19.933 30.326 -12.543 1.00 0.00 N ATOM 1104 CA GLU A 71 -19.833 30.800 -13.935 1.00 0.00 C ATOM 1105 C GLU A 71 -19.023 32.106 -14.019 1.00 0.00 C ATOM 1106 O GLU A 71 -18.193 32.276 -14.920 1.00 0.00 O ATOM 1107 CB GLU A 71 -21.253 31.011 -14.527 1.00 0.00 C ATOM 1108 CG GLU A 71 -22.140 29.753 -14.491 1.00 0.00 C ATOM 1109 CD GLU A 71 -23.519 29.959 -15.134 1.00 0.00 C ATOM 1110 OE1 GLU A 71 -24.429 30.462 -14.448 1.00 0.00 O ATOM 1111 OE2 GLU A 71 -23.698 29.623 -16.329 1.00 0.00 O ATOM 0 H GLU A 71 -20.872 30.403 -12.152 1.00 0.00 H new ATOM 0 HA GLU A 71 -19.311 30.041 -14.517 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -21.750 31.809 -13.976 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -21.159 31.347 -15.560 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -21.626 28.941 -15.004 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -22.274 29.441 -13.455 1.00 0.00 H new ATOM 1118 N THR A 72 -19.282 33.018 -13.064 1.00 0.00 N ATOM 1119 CA THR A 72 -18.669 34.363 -13.044 1.00 0.00 C ATOM 1120 C THR A 72 -17.332 34.380 -12.282 1.00 0.00 C ATOM 1121 O THR A 72 -16.635 35.403 -12.297 1.00 0.00 O ATOM 1122 CB THR A 72 -19.650 35.418 -12.430 1.00 0.00 C ATOM 1123 OG1 THR A 72 -19.943 35.094 -11.061 1.00 0.00 O ATOM 1124 CG2 THR A 72 -20.971 35.503 -13.221 1.00 0.00 C ATOM 0 H THR A 72 -19.919 32.846 -12.286 1.00 0.00 H new ATOM 0 HA THR A 72 -18.464 34.630 -14.081 1.00 0.00 H new ATOM 0 HB THR A 72 -19.152 36.386 -12.485 1.00 0.00 H new ATOM 0 HG1 THR A 72 -19.618 34.191 -10.862 1.00 0.00 H new ATOM 0 HG21 THR A 72 -21.623 36.246 -12.762 1.00 0.00 H new ATOM 0 HG22 THR A 72 -20.761 35.792 -14.251 1.00 0.00 H new ATOM 0 HG23 THR A 72 -21.465 34.531 -13.210 1.00 0.00 H new ATOM 1132 N LEU A 73 -16.987 33.261 -11.603 1.00 0.00 N ATOM 1133 CA LEU A 73 -15.685 33.123 -10.929 1.00 0.00 C ATOM 1134 C LEU A 73 -14.557 33.068 -11.964 1.00 0.00 C ATOM 1135 O LEU A 73 -14.641 32.328 -12.949 1.00 0.00 O ATOM 1136 CB LEU A 73 -15.626 31.854 -10.038 1.00 0.00 C ATOM 1137 CG LEU A 73 -16.521 31.856 -8.762 1.00 0.00 C ATOM 1138 CD1 LEU A 73 -16.324 30.552 -7.963 1.00 0.00 C ATOM 1139 CD2 LEU A 73 -16.265 33.107 -7.875 1.00 0.00 C ATOM 0 H LEU A 73 -17.593 32.446 -11.510 1.00 0.00 H new ATOM 0 HA LEU A 73 -15.559 33.995 -10.287 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -15.905 30.995 -10.649 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -14.592 31.702 -9.729 1.00 0.00 H new ATOM 0 HG LEU A 73 -17.561 31.907 -9.086 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -16.956 30.570 -7.075 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -16.596 29.699 -8.585 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -15.280 30.463 -7.663 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -16.909 33.068 -6.997 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -15.222 33.122 -7.559 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -16.484 34.009 -8.446 1.00 0.00 H new ATOM 1151 N LYS A 74 -13.511 33.861 -11.715 1.00 0.00 N ATOM 1152 CA LYS A 74 -12.290 33.865 -12.530 1.00 0.00 C ATOM 1153 C LYS A 74 -11.491 32.553 -12.297 1.00 0.00 C ATOM 1154 O LYS A 74 -11.576 31.970 -11.208 1.00 0.00 O ATOM 1155 CB LYS A 74 -11.454 35.133 -12.196 1.00 0.00 C ATOM 1156 CG LYS A 74 -11.081 35.294 -10.704 1.00 0.00 C ATOM 1157 CD LYS A 74 -10.559 36.706 -10.344 1.00 0.00 C ATOM 1158 CE LYS A 74 -11.563 37.805 -10.718 1.00 0.00 C ATOM 1159 NZ LYS A 74 -11.230 39.118 -10.109 1.00 0.00 N ATOM 0 H LYS A 74 -13.486 34.522 -10.939 1.00 0.00 H new ATOM 0 HA LYS A 74 -12.544 33.902 -13.589 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -10.537 35.111 -12.784 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -12.014 36.013 -12.512 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -11.957 35.073 -10.093 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.319 34.558 -10.447 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -10.351 36.754 -9.275 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -9.616 36.886 -10.860 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -11.593 37.910 -11.803 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -12.561 37.504 -10.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -11.326 39.867 -10.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -11.879 39.309 -9.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -10.252 39.099 -9.757 1.00 0.00 H new ATOM 1173 N PRO A 75 -10.722 32.074 -13.334 1.00 0.00 N ATOM 1174 CA PRO A 75 -10.027 30.755 -13.325 1.00 0.00 C ATOM 1175 C PRO A 75 -9.238 30.419 -12.031 1.00 0.00 C ATOM 1176 O PRO A 75 -9.325 29.300 -11.512 1.00 0.00 O ATOM 1177 CB PRO A 75 -9.053 30.890 -14.515 1.00 0.00 C ATOM 1178 CG PRO A 75 -9.731 31.804 -15.482 1.00 0.00 C ATOM 1179 CD PRO A 75 -10.486 32.793 -14.628 1.00 0.00 C ATOM 0 HA PRO A 75 -10.751 29.942 -13.386 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -8.095 31.299 -14.194 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -8.850 29.920 -14.968 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -9.007 32.308 -16.122 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -10.406 31.254 -16.137 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -9.910 33.705 -14.475 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -11.426 33.085 -15.096 1.00 0.00 H new ATOM 1187 N SER A 76 -8.482 31.413 -11.534 1.00 0.00 N ATOM 1188 CA SER A 76 -7.606 31.267 -10.354 1.00 0.00 C ATOM 1189 C SER A 76 -8.424 31.016 -9.068 1.00 0.00 C ATOM 1190 O SER A 76 -8.022 30.220 -8.209 1.00 0.00 O ATOM 1191 CB SER A 76 -6.744 32.541 -10.202 1.00 0.00 C ATOM 1192 OG SER A 76 -6.056 32.840 -11.412 1.00 0.00 O ATOM 0 H SER A 76 -8.460 32.348 -11.941 1.00 0.00 H new ATOM 0 HA SER A 76 -6.962 30.400 -10.504 1.00 0.00 H new ATOM 0 HB2 SER A 76 -7.378 33.382 -9.923 1.00 0.00 H new ATOM 0 HB3 SER A 76 -6.024 32.403 -9.395 1.00 0.00 H new ATOM 0 HG SER A 76 -5.519 33.651 -11.291 1.00 0.00 H new ATOM 1198 N THR A 77 -9.576 31.705 -8.971 1.00 0.00 N ATOM 1199 CA THR A 77 -10.499 31.593 -7.826 1.00 0.00 C ATOM 1200 C THR A 77 -11.260 30.264 -7.853 1.00 0.00 C ATOM 1201 O THR A 77 -11.537 29.693 -6.799 1.00 0.00 O ATOM 1202 CB THR A 77 -11.512 32.779 -7.824 1.00 0.00 C ATOM 1203 OG1 THR A 77 -10.778 34.001 -7.860 1.00 0.00 O ATOM 1204 CG2 THR A 77 -12.452 32.781 -6.596 1.00 0.00 C ATOM 0 H THR A 77 -9.894 32.358 -9.687 1.00 0.00 H new ATOM 0 HA THR A 77 -9.901 31.629 -6.915 1.00 0.00 H new ATOM 0 HB THR A 77 -12.148 32.667 -8.702 1.00 0.00 H new ATOM 0 HG1 THR A 77 -10.087 33.988 -7.166 1.00 0.00 H new ATOM 0 HG21 THR A 77 -13.130 33.632 -6.658 1.00 0.00 H new ATOM 0 HG22 THR A 77 -13.030 31.857 -6.579 1.00 0.00 H new ATOM 0 HG23 THR A 77 -11.859 32.855 -5.684 1.00 0.00 H new ATOM 1212 N LEU A 78 -11.597 29.795 -9.074 1.00 0.00 N ATOM 1213 CA LEU A 78 -12.301 28.517 -9.285 1.00 0.00 C ATOM 1214 C LEU A 78 -11.398 27.356 -8.791 1.00 0.00 C ATOM 1215 O LEU A 78 -11.844 26.498 -8.020 1.00 0.00 O ATOM 1216 CB LEU A 78 -12.684 28.356 -10.804 1.00 0.00 C ATOM 1217 CG LEU A 78 -13.921 27.437 -11.155 1.00 0.00 C ATOM 1218 CD1 LEU A 78 -13.735 25.971 -10.704 1.00 0.00 C ATOM 1219 CD2 LEU A 78 -15.234 28.032 -10.593 1.00 0.00 C ATOM 0 H LEU A 78 -11.388 30.293 -9.939 1.00 0.00 H new ATOM 0 HA LEU A 78 -13.229 28.498 -8.713 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -12.879 29.349 -11.208 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -11.814 27.963 -11.330 1.00 0.00 H new ATOM 0 HG LEU A 78 -13.988 27.416 -12.243 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -14.618 25.392 -10.974 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -12.859 25.547 -11.196 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -13.596 25.938 -9.623 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -16.068 27.379 -10.849 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -15.160 28.117 -9.509 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -15.400 29.019 -11.024 1.00 0.00 H new ATOM 1231 N ARG A 79 -10.118 27.392 -9.224 1.00 0.00 N ATOM 1232 CA ARG A 79 -9.086 26.408 -8.840 1.00 0.00 C ATOM 1233 C ARG A 79 -8.860 26.411 -7.320 1.00 0.00 C ATOM 1234 O ARG A 79 -8.742 25.351 -6.699 1.00 0.00 O ATOM 1235 CB ARG A 79 -7.751 26.724 -9.570 1.00 0.00 C ATOM 1236 CG ARG A 79 -6.579 25.771 -9.210 1.00 0.00 C ATOM 1237 CD ARG A 79 -5.246 26.190 -9.854 1.00 0.00 C ATOM 1238 NE ARG A 79 -5.328 26.162 -11.320 1.00 0.00 N ATOM 1239 CZ ARG A 79 -4.959 27.143 -12.150 1.00 0.00 C ATOM 1240 NH1 ARG A 79 -4.478 28.287 -11.688 1.00 0.00 N ATOM 1241 NH2 ARG A 79 -5.085 26.971 -13.455 1.00 0.00 N ATOM 0 H ARG A 79 -9.771 28.113 -9.856 1.00 0.00 H new ATOM 0 HA ARG A 79 -9.435 25.418 -9.134 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -7.921 26.680 -10.646 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -7.456 27.747 -9.335 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -6.460 25.743 -8.127 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -6.829 24.759 -9.530 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -4.979 27.193 -9.522 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -4.452 25.522 -9.519 1.00 0.00 H new ATOM 0 HE ARG A 79 -5.702 25.314 -11.745 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -4.384 28.432 -10.683 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -4.202 29.023 -12.337 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -5.461 26.096 -13.820 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -4.806 27.713 -14.097 1.00 0.00 H new ATOM 1255 N GLU A 80 -8.796 27.623 -6.744 1.00 0.00 N ATOM 1256 CA GLU A 80 -8.575 27.809 -5.305 1.00 0.00 C ATOM 1257 C GLU A 80 -9.754 27.252 -4.495 1.00 0.00 C ATOM 1258 O GLU A 80 -9.539 26.576 -3.490 1.00 0.00 O ATOM 1259 CB GLU A 80 -8.342 29.305 -4.972 1.00 0.00 C ATOM 1260 CG GLU A 80 -8.116 29.596 -3.467 1.00 0.00 C ATOM 1261 CD GLU A 80 -7.727 31.049 -3.185 1.00 0.00 C ATOM 1262 OE1 GLU A 80 -6.523 31.371 -3.267 1.00 0.00 O ATOM 1263 OE2 GLU A 80 -8.616 31.874 -2.896 1.00 0.00 O ATOM 0 H GLU A 80 -8.896 28.496 -7.262 1.00 0.00 H new ATOM 0 HA GLU A 80 -7.679 27.254 -5.027 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -7.477 29.659 -5.532 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -9.202 29.880 -5.316 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -9.026 29.357 -2.917 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.334 28.938 -3.090 1.00 0.00 H new ATOM 1270 N LEU A 81 -10.985 27.517 -4.979 1.00 0.00 N ATOM 1271 CA LEU A 81 -12.234 27.144 -4.289 1.00 0.00 C ATOM 1272 C LEU A 81 -12.349 25.627 -4.198 1.00 0.00 C ATOM 1273 O LEU A 81 -12.457 25.086 -3.097 1.00 0.00 O ATOM 1274 CB LEU A 81 -13.464 27.771 -5.027 1.00 0.00 C ATOM 1275 CG LEU A 81 -14.881 27.669 -4.326 1.00 0.00 C ATOM 1276 CD1 LEU A 81 -15.850 28.719 -4.895 1.00 0.00 C ATOM 1277 CD2 LEU A 81 -15.526 26.259 -4.423 1.00 0.00 C ATOM 0 H LEU A 81 -11.140 27.999 -5.865 1.00 0.00 H new ATOM 0 HA LEU A 81 -12.217 27.539 -3.273 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -13.250 28.826 -5.196 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -13.541 27.300 -6.007 1.00 0.00 H new ATOM 0 HG LEU A 81 -14.699 27.863 -3.269 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -16.816 28.629 -4.398 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -15.446 29.717 -4.725 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -15.976 28.556 -5.965 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -16.493 26.266 -3.921 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -15.663 25.993 -5.471 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -14.875 25.527 -3.945 1.00 0.00 H new ATOM 1289 N GLU A 82 -12.302 24.948 -5.365 1.00 0.00 N ATOM 1290 CA GLU A 82 -12.504 23.488 -5.450 1.00 0.00 C ATOM 1291 C GLU A 82 -11.455 22.741 -4.612 1.00 0.00 C ATOM 1292 O GLU A 82 -11.783 21.796 -3.906 1.00 0.00 O ATOM 1293 CB GLU A 82 -12.454 23.011 -6.925 1.00 0.00 C ATOM 1294 CG GLU A 82 -11.121 23.305 -7.651 1.00 0.00 C ATOM 1295 CD GLU A 82 -11.045 22.749 -9.072 1.00 0.00 C ATOM 1296 OE1 GLU A 82 -10.051 22.067 -9.419 1.00 0.00 O ATOM 1297 OE2 GLU A 82 -11.986 22.987 -9.849 1.00 0.00 O ATOM 0 H GLU A 82 -12.125 25.393 -6.266 1.00 0.00 H new ATOM 0 HA GLU A 82 -13.491 23.262 -5.047 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -12.638 21.937 -6.952 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -13.265 23.488 -7.475 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -10.970 24.384 -7.687 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -10.302 22.888 -7.065 1.00 0.00 H new ATOM 1304 N ARG A 83 -10.201 23.228 -4.673 1.00 0.00 N ATOM 1305 CA ARG A 83 -9.061 22.615 -3.977 1.00 0.00 C ATOM 1306 C ARG A 83 -9.165 22.847 -2.461 1.00 0.00 C ATOM 1307 O ARG A 83 -8.761 21.993 -1.681 1.00 0.00 O ATOM 1308 CB ARG A 83 -7.729 23.198 -4.522 1.00 0.00 C ATOM 1309 CG ARG A 83 -6.457 22.475 -4.015 1.00 0.00 C ATOM 1310 CD ARG A 83 -5.157 23.212 -4.395 1.00 0.00 C ATOM 1311 NE ARG A 83 -5.094 24.553 -3.782 1.00 0.00 N ATOM 1312 CZ ARG A 83 -4.044 25.384 -3.827 1.00 0.00 C ATOM 1313 NH1 ARG A 83 -2.915 25.040 -4.442 1.00 0.00 N ATOM 1314 NH2 ARG A 83 -4.121 26.559 -3.236 1.00 0.00 N ATOM 0 H ARG A 83 -9.953 24.060 -5.209 1.00 0.00 H new ATOM 0 HA ARG A 83 -9.077 21.541 -4.161 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -7.747 23.155 -5.611 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -7.668 24.251 -4.246 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -6.509 22.376 -2.931 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -6.430 21.466 -4.426 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -4.297 22.624 -4.074 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -5.094 23.304 -5.479 1.00 0.00 H new ATOM 0 HE ARG A 83 -5.922 24.875 -3.281 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -2.837 24.128 -4.891 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -2.128 25.689 -4.464 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -4.975 26.830 -2.749 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -3.326 27.198 -3.265 1.00 0.00 H new ATOM 1328 N TYR A 84 -9.724 24.014 -2.067 1.00 0.00 N ATOM 1329 CA TYR A 84 -9.891 24.408 -0.647 1.00 0.00 C ATOM 1330 C TYR A 84 -10.997 23.567 0.010 1.00 0.00 C ATOM 1331 O TYR A 84 -10.877 23.175 1.174 1.00 0.00 O ATOM 1332 CB TYR A 84 -10.210 25.931 -0.532 1.00 0.00 C ATOM 1333 CG TYR A 84 -10.023 26.532 0.878 1.00 0.00 C ATOM 1334 CD1 TYR A 84 -8.779 27.031 1.294 1.00 0.00 C ATOM 1335 CD2 TYR A 84 -11.079 26.608 1.792 1.00 0.00 C ATOM 1336 CE1 TYR A 84 -8.606 27.579 2.556 1.00 0.00 C ATOM 1337 CE2 TYR A 84 -10.903 27.154 3.053 1.00 0.00 C ATOM 1338 CZ TYR A 84 -9.671 27.635 3.427 1.00 0.00 C ATOM 1339 OH TYR A 84 -9.504 28.182 4.678 1.00 0.00 O ATOM 0 H TYR A 84 -10.073 24.711 -2.725 1.00 0.00 H new ATOM 0 HA TYR A 84 -8.955 24.220 -0.121 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -9.572 26.474 -1.230 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -11.240 26.096 -0.847 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -7.939 26.987 0.617 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -12.052 26.233 1.509 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -7.641 27.960 2.854 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -11.733 27.202 3.742 1.00 0.00 H new ATOM 0 HH TYR A 84 -10.353 28.146 5.167 1.00 0.00 H new ATOM 1349 N VAL A 85 -12.061 23.283 -0.760 1.00 0.00 N ATOM 1350 CA VAL A 85 -13.188 22.431 -0.320 1.00 0.00 C ATOM 1351 C VAL A 85 -12.735 20.957 -0.237 1.00 0.00 C ATOM 1352 O VAL A 85 -13.075 20.248 0.711 1.00 0.00 O ATOM 1353 CB VAL A 85 -14.427 22.600 -1.289 1.00 0.00 C ATOM 1354 CG1 VAL A 85 -15.597 21.651 -0.926 1.00 0.00 C ATOM 1355 CG2 VAL A 85 -14.910 24.074 -1.311 1.00 0.00 C ATOM 0 H VAL A 85 -12.168 23.638 -1.710 1.00 0.00 H new ATOM 0 HA VAL A 85 -13.504 22.747 0.674 1.00 0.00 H new ATOM 0 HB VAL A 85 -14.088 22.323 -2.287 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -16.422 21.807 -1.622 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -15.260 20.616 -0.990 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -15.934 21.861 0.089 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -15.763 24.167 -1.984 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -15.206 24.375 -0.306 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -14.101 24.717 -1.659 1.00 0.00 H new ATOM 1365 N LEU A 86 -11.929 20.530 -1.229 1.00 0.00 N ATOM 1366 CA LEU A 86 -11.307 19.184 -1.266 1.00 0.00 C ATOM 1367 C LEU A 86 -10.197 19.046 -0.208 1.00 0.00 C ATOM 1368 O LEU A 86 -9.811 17.931 0.132 1.00 0.00 O ATOM 1369 CB LEU A 86 -10.750 18.875 -2.684 1.00 0.00 C ATOM 1370 CG LEU A 86 -11.821 18.660 -3.809 1.00 0.00 C ATOM 1371 CD1 LEU A 86 -11.157 18.534 -5.205 1.00 0.00 C ATOM 1372 CD2 LEU A 86 -12.725 17.437 -3.500 1.00 0.00 C ATOM 0 H LEU A 86 -11.688 21.109 -2.033 1.00 0.00 H new ATOM 0 HA LEU A 86 -12.083 18.456 -1.031 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -10.097 19.695 -2.983 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -10.131 17.980 -2.623 1.00 0.00 H new ATOM 0 HG LEU A 86 -12.459 19.544 -3.829 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -11.927 18.386 -5.962 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -10.601 19.445 -5.427 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -10.476 17.683 -5.209 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -13.457 17.315 -4.298 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -12.111 16.539 -3.430 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -13.243 17.597 -2.554 1.00 0.00 H new ATOM 1384 N SER A 87 -9.647 20.189 0.241 1.00 0.00 N ATOM 1385 CA SER A 87 -8.671 20.247 1.356 1.00 0.00 C ATOM 1386 C SER A 87 -9.391 20.105 2.710 1.00 0.00 C ATOM 1387 O SER A 87 -8.889 19.435 3.614 1.00 0.00 O ATOM 1388 CB SER A 87 -7.873 21.573 1.299 1.00 0.00 C ATOM 1389 OG SER A 87 -6.916 21.690 2.343 1.00 0.00 O ATOM 0 H SER A 87 -9.864 21.103 -0.157 1.00 0.00 H new ATOM 0 HA SER A 87 -7.972 19.417 1.252 1.00 0.00 H new ATOM 0 HB2 SER A 87 -7.364 21.644 0.338 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.567 22.411 1.354 1.00 0.00 H new ATOM 0 HG SER A 87 -6.441 22.543 2.258 1.00 0.00 H new ATOM 1395 N CYS A 88 -10.578 20.739 2.832 1.00 0.00 N ATOM 1396 CA CYS A 88 -11.459 20.602 4.012 1.00 0.00 C ATOM 1397 C CYS A 88 -11.962 19.151 4.135 1.00 0.00 C ATOM 1398 O CYS A 88 -12.029 18.588 5.232 1.00 0.00 O ATOM 1399 CB CYS A 88 -12.657 21.578 3.911 1.00 0.00 C ATOM 1400 SG CYS A 88 -12.196 23.329 3.832 1.00 0.00 S ATOM 0 H CYS A 88 -10.952 21.360 2.115 1.00 0.00 H new ATOM 0 HA CYS A 88 -10.884 20.851 4.904 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -13.239 21.328 3.024 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -13.307 21.425 4.772 1.00 0.00 H new ATOM 0 HG CYS A 88 -11.625 23.576 2.691 1.00 0.00 H new ATOM 1406 N LEU A 89 -12.297 18.565 2.976 1.00 0.00 N ATOM 1407 CA LEU A 89 -12.727 17.165 2.861 1.00 0.00 C ATOM 1408 C LEU A 89 -11.506 16.218 2.985 1.00 0.00 C ATOM 1409 O LEU A 89 -11.643 15.076 3.427 1.00 0.00 O ATOM 1410 CB LEU A 89 -13.451 16.963 1.496 1.00 0.00 C ATOM 1411 CG LEU A 89 -14.174 15.592 1.296 1.00 0.00 C ATOM 1412 CD1 LEU A 89 -15.303 15.386 2.338 1.00 0.00 C ATOM 1413 CD2 LEU A 89 -14.709 15.450 -0.152 1.00 0.00 C ATOM 0 H LEU A 89 -12.276 19.056 2.082 1.00 0.00 H new ATOM 0 HA LEU A 89 -13.419 16.926 3.668 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -14.186 17.759 1.377 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -12.718 17.084 0.698 1.00 0.00 H new ATOM 0 HG LEU A 89 -13.437 14.805 1.457 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -15.783 14.422 2.168 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -14.880 15.409 3.342 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -16.041 16.182 2.237 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -15.207 14.487 -0.263 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -15.418 16.252 -0.358 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -13.878 15.512 -0.855 1.00 0.00 H new ATOM 1425 N ARG A 90 -10.323 16.735 2.574 1.00 0.00 N ATOM 1426 CA ARG A 90 -9.011 16.030 2.576 1.00 0.00 C ATOM 1427 C ARG A 90 -9.039 14.751 1.684 1.00 0.00 C ATOM 1428 O ARG A 90 -8.165 13.881 1.779 1.00 0.00 O ATOM 1429 CB ARG A 90 -8.530 15.743 4.044 1.00 0.00 C ATOM 1430 CG ARG A 90 -7.020 15.408 4.169 1.00 0.00 C ATOM 1431 CD ARG A 90 -6.572 15.043 5.594 1.00 0.00 C ATOM 1432 NE ARG A 90 -5.132 14.724 5.612 1.00 0.00 N ATOM 1433 CZ ARG A 90 -4.411 14.382 6.692 1.00 0.00 C ATOM 1434 NH1 ARG A 90 -4.960 14.325 7.898 1.00 0.00 N ATOM 1435 NH2 ARG A 90 -3.123 14.105 6.550 1.00 0.00 N ATOM 0 H ARG A 90 -10.250 17.688 2.219 1.00 0.00 H new ATOM 0 HA ARG A 90 -8.271 16.691 2.125 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -8.749 16.614 4.662 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -9.109 14.912 4.447 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -6.787 14.577 3.503 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -6.440 16.264 3.826 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -6.776 15.873 6.270 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -7.145 14.189 5.955 1.00 0.00 H new ATOM 0 HE ARG A 90 -4.638 14.767 4.721 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -5.949 14.543 8.019 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -4.393 14.063 8.704 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -2.690 14.153 5.628 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -2.565 13.844 7.363 1.00 0.00 H new ATOM 1724 N THR A 106 1.087 35.626 -23.326 1.00 0.00 N ATOM 1725 CA THR A 106 1.703 36.906 -23.686 1.00 0.00 C ATOM 1726 C THR A 106 0.644 38.008 -23.678 1.00 0.00 C ATOM 1727 O THR A 106 -0.519 37.714 -23.943 1.00 0.00 O ATOM 1728 CB THR A 106 2.373 36.796 -25.099 1.00 0.00 C ATOM 1729 OG1 THR A 106 3.222 35.636 -25.118 1.00 0.00 O ATOM 1730 CG2 THR A 106 3.203 38.042 -25.479 1.00 0.00 C ATOM 0 HA THR A 106 2.473 37.156 -22.956 1.00 0.00 H new ATOM 0 HB THR A 106 1.572 36.716 -25.834 1.00 0.00 H new ATOM 0 HG1 THR A 106 2.823 34.930 -24.568 1.00 0.00 H new ATOM 0 HG21 THR A 106 3.639 37.901 -26.468 1.00 0.00 H new ATOM 0 HG22 THR A 106 2.557 38.920 -25.489 1.00 0.00 H new ATOM 0 HG23 THR A 106 3.999 38.186 -24.748 1.00 0.00 H new ATOM 1738 N LYS A 107 1.070 39.260 -23.390 1.00 0.00 N ATOM 1739 CA LYS A 107 0.183 40.448 -23.315 1.00 0.00 C ATOM 1740 C LYS A 107 -0.774 40.536 -24.521 1.00 0.00 C ATOM 1741 O LYS A 107 -1.980 40.679 -24.352 1.00 0.00 O ATOM 1742 CB LYS A 107 1.048 41.735 -23.223 1.00 0.00 C ATOM 1743 CG LYS A 107 0.244 43.050 -23.074 1.00 0.00 C ATOM 1744 CD LYS A 107 1.153 44.301 -23.109 1.00 0.00 C ATOM 1745 CE LYS A 107 0.374 45.604 -22.880 1.00 0.00 C ATOM 1746 NZ LYS A 107 -0.262 45.651 -21.541 1.00 0.00 N ATOM 0 H LYS A 107 2.048 39.477 -23.201 1.00 0.00 H new ATOM 0 HA LYS A 107 -0.434 40.349 -22.422 1.00 0.00 H new ATOM 0 HB2 LYS A 107 1.724 41.641 -22.373 1.00 0.00 H new ATOM 0 HB3 LYS A 107 1.667 41.804 -24.117 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -0.492 43.116 -23.875 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -0.308 43.031 -22.134 1.00 0.00 H new ATOM 0 HD2 LYS A 107 1.926 44.205 -22.346 1.00 0.00 H new ATOM 0 HD3 LYS A 107 1.660 44.350 -24.072 1.00 0.00 H new ATOM 0 HE2 LYS A 107 1.049 46.453 -22.989 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -0.393 45.706 -23.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -0.631 46.607 -21.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -1.044 44.966 -21.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 0.442 45.412 -20.814 1.00 0.00 H new ATOM 1760 N GLU A 108 -0.200 40.397 -25.725 1.00 0.00 N ATOM 1761 CA GLU A 108 -0.939 40.477 -26.999 1.00 0.00 C ATOM 1762 C GLU A 108 -1.829 39.234 -27.207 1.00 0.00 C ATOM 1763 O GLU A 108 -2.896 39.341 -27.784 1.00 0.00 O ATOM 1764 CB GLU A 108 0.028 40.642 -28.208 1.00 0.00 C ATOM 1765 CG GLU A 108 0.818 41.975 -28.274 1.00 0.00 C ATOM 1766 CD GLU A 108 1.757 42.224 -27.076 1.00 0.00 C ATOM 1767 OE1 GLU A 108 2.560 41.326 -26.747 1.00 0.00 O ATOM 1768 OE2 GLU A 108 1.700 43.313 -26.464 1.00 0.00 O ATOM 0 H GLU A 108 0.798 40.224 -25.846 1.00 0.00 H new ATOM 0 HA GLU A 108 -1.577 41.359 -26.943 1.00 0.00 H new ATOM 0 HB2 GLU A 108 0.744 39.820 -28.189 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -0.551 40.540 -29.126 1.00 0.00 H new ATOM 0 HG2 GLU A 108 1.408 41.988 -29.190 1.00 0.00 H new ATOM 0 HG3 GLU A 108 0.109 42.800 -28.341 1.00 0.00 H new ATOM 1775 N GLU A 109 -1.386 38.064 -26.720 1.00 0.00 N ATOM 1776 CA GLU A 109 -2.134 36.799 -26.898 1.00 0.00 C ATOM 1777 C GLU A 109 -3.440 36.827 -26.063 1.00 0.00 C ATOM 1778 O GLU A 109 -4.541 36.730 -26.613 1.00 0.00 O ATOM 1779 CB GLU A 109 -1.256 35.579 -26.490 1.00 0.00 C ATOM 1780 CG GLU A 109 -1.931 34.199 -26.705 1.00 0.00 C ATOM 1781 CD GLU A 109 -1.146 33.041 -26.056 1.00 0.00 C ATOM 1782 OE1 GLU A 109 -0.227 32.493 -26.694 1.00 0.00 O ATOM 1783 OE2 GLU A 109 -1.443 32.689 -24.893 1.00 0.00 O ATOM 0 H GLU A 109 -0.515 37.963 -26.200 1.00 0.00 H new ATOM 0 HA GLU A 109 -2.393 36.697 -27.952 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -0.328 35.608 -27.061 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -0.986 35.677 -25.439 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -2.939 34.225 -26.292 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -2.029 34.011 -27.774 1.00 0.00 H new ATOM 1790 N LEU A 110 -3.294 37.014 -24.738 1.00 0.00 N ATOM 1791 CA LEU A 110 -4.426 36.990 -23.793 1.00 0.00 C ATOM 1792 C LEU A 110 -5.399 38.166 -24.036 1.00 0.00 C ATOM 1793 O LEU A 110 -6.602 38.039 -23.788 1.00 0.00 O ATOM 1794 CB LEU A 110 -3.906 36.931 -22.312 1.00 0.00 C ATOM 1795 CG LEU A 110 -2.908 38.057 -21.829 1.00 0.00 C ATOM 1796 CD1 LEU A 110 -3.617 39.373 -21.423 1.00 0.00 C ATOM 1797 CD2 LEU A 110 -2.006 37.552 -20.681 1.00 0.00 C ATOM 0 H LEU A 110 -2.392 37.185 -24.294 1.00 0.00 H new ATOM 0 HA LEU A 110 -5.002 36.082 -23.971 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -4.774 36.949 -21.653 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -3.417 35.968 -22.168 1.00 0.00 H new ATOM 0 HG LEU A 110 -2.285 38.291 -22.692 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -2.874 40.103 -21.102 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -4.168 39.768 -22.277 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -4.309 39.176 -20.604 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -1.331 38.350 -20.371 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -2.626 37.252 -19.836 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -1.424 36.697 -21.025 1.00 0.00 H new ATOM 1809 N ALA A 111 -4.877 39.302 -24.547 1.00 0.00 N ATOM 1810 CA ALA A 111 -5.700 40.493 -24.810 1.00 0.00 C ATOM 1811 C ALA A 111 -6.477 40.349 -26.122 1.00 0.00 C ATOM 1812 O ALA A 111 -7.692 40.445 -26.118 1.00 0.00 O ATOM 1813 CB ALA A 111 -4.835 41.761 -24.830 1.00 0.00 C ATOM 0 H ALA A 111 -3.891 39.415 -24.784 1.00 0.00 H new ATOM 0 HA ALA A 111 -6.423 40.584 -23.999 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -5.465 42.628 -25.026 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -4.343 41.881 -23.865 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -4.082 41.675 -25.613 1.00 0.00 H new ATOM 1819 N LEU A 112 -5.761 40.068 -27.226 1.00 0.00 N ATOM 1820 CA LEU A 112 -6.327 40.108 -28.596 1.00 0.00 C ATOM 1821 C LEU A 112 -7.173 38.862 -28.925 1.00 0.00 C ATOM 1822 O LEU A 112 -8.293 38.985 -29.433 1.00 0.00 O ATOM 1823 CB LEU A 112 -5.187 40.273 -29.653 1.00 0.00 C ATOM 1824 CG LEU A 112 -4.600 41.721 -29.850 1.00 0.00 C ATOM 1825 CD1 LEU A 112 -3.930 42.278 -28.571 1.00 0.00 C ATOM 1826 CD2 LEU A 112 -3.613 41.750 -31.042 1.00 0.00 C ATOM 0 H LEU A 112 -4.775 39.807 -27.199 1.00 0.00 H new ATOM 0 HA LEU A 112 -6.992 40.971 -28.637 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -4.368 39.610 -29.374 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -5.564 39.926 -30.615 1.00 0.00 H new ATOM 0 HG LEU A 112 -5.444 42.375 -30.069 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -3.545 43.278 -28.768 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -4.664 42.324 -27.766 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -3.109 41.624 -28.276 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -3.218 42.759 -31.163 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -2.792 41.059 -30.851 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -4.133 41.453 -31.953 1.00 0.00 H new ATOM 1838 N GLU A 113 -6.626 37.670 -28.636 1.00 0.00 N ATOM 1839 CA GLU A 113 -7.203 36.385 -29.091 1.00 0.00 C ATOM 1840 C GLU A 113 -8.515 36.043 -28.367 1.00 0.00 C ATOM 1841 O GLU A 113 -9.449 35.514 -28.979 1.00 0.00 O ATOM 1842 CB GLU A 113 -6.161 35.241 -28.936 1.00 0.00 C ATOM 1843 CG GLU A 113 -4.818 35.506 -29.654 1.00 0.00 C ATOM 1844 CD GLU A 113 -4.999 35.844 -31.147 1.00 0.00 C ATOM 1845 OE1 GLU A 113 -5.181 34.919 -31.955 1.00 0.00 O ATOM 1846 OE2 GLU A 113 -4.986 37.041 -31.515 1.00 0.00 O ATOM 0 H GLU A 113 -5.775 37.565 -28.083 1.00 0.00 H new ATOM 0 HA GLU A 113 -7.451 36.493 -30.147 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -5.968 35.082 -27.875 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -6.591 34.318 -29.324 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -4.302 36.329 -29.159 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -4.180 34.627 -29.559 1.00 0.00 H new ATOM 1853 N LYS A 114 -8.576 36.351 -27.063 1.00 0.00 N ATOM 1854 CA LYS A 114 -9.805 36.161 -26.261 1.00 0.00 C ATOM 1855 C LYS A 114 -10.790 37.343 -26.468 1.00 0.00 C ATOM 1856 O LYS A 114 -11.987 37.215 -26.182 1.00 0.00 O ATOM 1857 CB LYS A 114 -9.447 35.941 -24.760 1.00 0.00 C ATOM 1858 CG LYS A 114 -8.520 34.718 -24.517 1.00 0.00 C ATOM 1859 CD LYS A 114 -8.299 34.369 -23.020 1.00 0.00 C ATOM 1860 CE LYS A 114 -7.656 35.503 -22.213 1.00 0.00 C ATOM 1861 NZ LYS A 114 -7.399 35.115 -20.801 1.00 0.00 N ATOM 0 H LYS A 114 -7.791 36.733 -26.536 1.00 0.00 H new ATOM 0 HA LYS A 114 -10.316 35.262 -26.606 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -8.961 36.838 -24.375 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -10.367 35.808 -24.191 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -8.944 33.850 -25.021 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -7.552 34.913 -24.979 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -9.258 34.113 -22.570 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -7.668 33.483 -22.952 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -6.717 35.794 -22.684 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -8.308 36.376 -22.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -6.964 35.913 -20.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -8.297 34.862 -20.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -6.756 34.298 -20.777 1.00 0.00 H new ATOM 1875 N LYS A 115 -10.279 38.485 -27.000 1.00 0.00 N ATOM 1876 CA LYS A 115 -11.120 39.660 -27.363 1.00 0.00 C ATOM 1877 C LYS A 115 -11.952 39.374 -28.630 1.00 0.00 C ATOM 1878 O LYS A 115 -13.010 39.974 -28.828 1.00 0.00 O ATOM 1879 CB LYS A 115 -10.253 40.925 -27.587 1.00 0.00 C ATOM 1880 CG LYS A 115 -11.040 42.241 -27.768 1.00 0.00 C ATOM 1881 CD LYS A 115 -10.133 43.434 -28.155 1.00 0.00 C ATOM 1882 CE LYS A 115 -9.434 43.229 -29.515 1.00 0.00 C ATOM 1883 NZ LYS A 115 -8.618 44.406 -29.911 1.00 0.00 N ATOM 0 H LYS A 115 -9.285 38.618 -27.188 1.00 0.00 H new ATOM 0 HA LYS A 115 -11.796 39.843 -26.528 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -9.579 41.038 -26.738 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -9.632 40.768 -28.469 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -11.799 42.102 -28.538 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -11.565 42.475 -26.842 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -10.732 44.344 -28.192 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -9.379 43.579 -27.381 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -8.795 42.347 -29.464 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -10.184 43.035 -30.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -8.168 44.223 -30.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -9.230 45.243 -29.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -7.884 44.577 -29.194 1.00 0.00 H new ATOM 1897 N ARG A 116 -11.452 38.449 -29.484 1.00 0.00 N ATOM 1898 CA ARG A 116 -12.181 37.980 -30.691 1.00 0.00 C ATOM 1899 C ARG A 116 -13.559 37.409 -30.293 1.00 0.00 C ATOM 1900 O ARG A 116 -14.568 37.665 -30.954 1.00 0.00 O ATOM 1901 CB ARG A 116 -11.364 36.889 -31.441 1.00 0.00 C ATOM 1902 CG ARG A 116 -9.938 37.306 -31.868 1.00 0.00 C ATOM 1903 CD ARG A 116 -9.200 36.163 -32.589 1.00 0.00 C ATOM 1904 NE ARG A 116 -7.803 36.497 -32.922 1.00 0.00 N ATOM 1905 CZ ARG A 116 -7.291 36.543 -34.163 1.00 0.00 C ATOM 1906 NH1 ARG A 116 -8.078 36.517 -35.227 1.00 0.00 N ATOM 1907 NH2 ARG A 116 -5.985 36.654 -34.333 1.00 0.00 N ATOM 0 H ARG A 116 -10.540 38.009 -29.359 1.00 0.00 H new ATOM 0 HA ARG A 116 -12.320 38.833 -31.355 1.00 0.00 H new ATOM 0 HB2 ARG A 116 -11.291 36.010 -30.801 1.00 0.00 H new ATOM 0 HB3 ARG A 116 -11.919 36.591 -32.331 1.00 0.00 H new ATOM 0 HG2 ARG A 116 -9.994 38.174 -32.525 1.00 0.00 H new ATOM 0 HG3 ARG A 116 -9.369 37.608 -30.989 1.00 0.00 H new ATOM 0 HD2 ARG A 116 -9.215 35.274 -31.958 1.00 0.00 H new ATOM 0 HD3 ARG A 116 -9.736 35.913 -33.505 1.00 0.00 H new ATOM 0 HE ARG A 116 -7.175 36.710 -32.147 1.00 0.00 H new ATOM 0 HH11 ARG A 116 -9.090 36.461 -35.112 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -7.673 36.553 -36.162 1.00 0.00 H new ATOM 0 HH21 ARG A 116 -5.368 36.705 -33.523 1.00 0.00 H new ATOM 0 HH22 ARG A 116 -5.594 36.689 -35.275 1.00 0.00 H new ATOM 1921 N GLU A 117 -13.564 36.655 -29.178 1.00 0.00 N ATOM 1922 CA GLU A 117 -14.775 36.056 -28.599 1.00 0.00 C ATOM 1923 C GLU A 117 -15.620 37.138 -27.903 1.00 0.00 C ATOM 1924 O GLU A 117 -16.842 37.159 -28.033 1.00 0.00 O ATOM 1925 CB GLU A 117 -14.382 34.973 -27.563 1.00 0.00 C ATOM 1926 CG GLU A 117 -13.322 33.958 -28.043 1.00 0.00 C ATOM 1927 CD GLU A 117 -12.897 32.995 -26.925 1.00 0.00 C ATOM 1928 OE1 GLU A 117 -13.346 31.829 -26.920 1.00 0.00 O ATOM 1929 OE2 GLU A 117 -12.151 33.426 -26.013 1.00 0.00 O ATOM 0 H GLU A 117 -12.717 36.444 -28.650 1.00 0.00 H new ATOM 0 HA GLU A 117 -15.358 35.602 -29.401 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -14.008 35.469 -26.667 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -15.280 34.427 -27.274 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -13.721 33.386 -28.881 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -12.447 34.494 -28.411 1.00 0.00 H new ATOM 1936 N LEU A 118 -14.915 38.026 -27.175 1.00 0.00 N ATOM 1937 CA LEU A 118 -15.501 39.089 -26.334 1.00 0.00 C ATOM 1938 C LEU A 118 -16.414 40.037 -27.144 1.00 0.00 C ATOM 1939 O LEU A 118 -17.581 40.240 -26.799 1.00 0.00 O ATOM 1940 CB LEU A 118 -14.342 39.881 -25.669 1.00 0.00 C ATOM 1941 CG LEU A 118 -14.735 41.048 -24.711 1.00 0.00 C ATOM 1942 CD1 LEU A 118 -15.448 40.524 -23.443 1.00 0.00 C ATOM 1943 CD2 LEU A 118 -13.497 41.910 -24.358 1.00 0.00 C ATOM 0 H LEU A 118 -13.895 38.024 -27.155 1.00 0.00 H new ATOM 0 HA LEU A 118 -16.132 38.628 -25.574 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -13.729 39.176 -25.109 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -13.714 40.290 -26.461 1.00 0.00 H new ATOM 0 HG LEU A 118 -15.446 41.688 -25.234 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -15.707 41.364 -22.798 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -16.355 39.992 -23.729 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -14.784 39.846 -22.906 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -13.795 42.718 -23.689 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -12.749 41.288 -23.866 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -13.075 42.332 -25.270 1.00 0.00 H new ATOM 1955 N GLU A 119 -15.865 40.586 -28.232 1.00 0.00 N ATOM 1956 CA GLU A 119 -16.577 41.544 -29.097 1.00 0.00 C ATOM 1957 C GLU A 119 -17.636 40.845 -29.961 1.00 0.00 C ATOM 1958 O GLU A 119 -18.632 41.462 -30.341 1.00 0.00 O ATOM 1959 CB GLU A 119 -15.575 42.304 -29.987 1.00 0.00 C ATOM 1960 CG GLU A 119 -14.500 43.070 -29.193 1.00 0.00 C ATOM 1961 CD GLU A 119 -13.576 43.905 -30.087 1.00 0.00 C ATOM 1962 OE1 GLU A 119 -13.824 45.116 -30.252 1.00 0.00 O ATOM 1963 OE2 GLU A 119 -12.609 43.351 -30.645 1.00 0.00 O ATOM 0 H GLU A 119 -14.915 40.382 -28.542 1.00 0.00 H new ATOM 0 HA GLU A 119 -17.093 42.256 -28.453 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -15.085 41.595 -30.655 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -16.121 43.008 -30.615 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -14.987 43.725 -28.471 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -13.901 42.359 -28.624 1.00 0.00 H new ATOM 1970 N LYS A 120 -17.399 39.554 -30.255 1.00 0.00 N ATOM 1971 CA LYS A 120 -18.343 38.708 -31.007 1.00 0.00 C ATOM 1972 C LYS A 120 -19.674 38.570 -30.239 1.00 0.00 C ATOM 1973 O LYS A 120 -20.739 38.868 -30.783 1.00 0.00 O ATOM 1974 CB LYS A 120 -17.707 37.313 -31.259 1.00 0.00 C ATOM 1975 CG LYS A 120 -18.621 36.277 -31.957 1.00 0.00 C ATOM 1976 CD LYS A 120 -17.938 34.895 -32.121 1.00 0.00 C ATOM 1977 CE LYS A 120 -17.516 34.271 -30.776 1.00 0.00 C ATOM 1978 NZ LYS A 120 -16.916 32.922 -30.948 1.00 0.00 N ATOM 0 H LYS A 120 -16.547 39.067 -29.978 1.00 0.00 H new ATOM 0 HA LYS A 120 -18.556 39.177 -31.968 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -16.811 37.446 -31.865 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -17.387 36.901 -30.302 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -19.538 36.159 -31.379 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -18.909 36.655 -32.938 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -18.621 34.216 -32.632 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -17.060 35.003 -32.757 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -16.798 34.926 -30.283 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -18.385 34.200 -30.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -16.647 32.541 -30.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -17.609 32.288 -31.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -16.071 32.992 -31.551 1.00 0.00 H new ATOM 1992 N ARG A 121 -19.585 38.149 -28.957 1.00 0.00 N ATOM 1993 CA ARG A 121 -20.763 37.951 -28.078 1.00 0.00 C ATOM 1994 C ARG A 121 -21.386 39.297 -27.652 1.00 0.00 C ATOM 1995 O ARG A 121 -22.548 39.343 -27.233 1.00 0.00 O ATOM 1996 CB ARG A 121 -20.401 37.052 -26.843 1.00 0.00 C ATOM 1997 CG ARG A 121 -19.230 37.545 -25.933 1.00 0.00 C ATOM 1998 CD ARG A 121 -19.649 38.526 -24.817 1.00 0.00 C ATOM 1999 NE ARG A 121 -20.491 37.875 -23.797 1.00 0.00 N ATOM 2000 CZ ARG A 121 -20.711 38.350 -22.562 1.00 0.00 C ATOM 2001 NH1 ARG A 121 -20.197 39.509 -22.175 1.00 0.00 N ATOM 2002 NH2 ARG A 121 -21.452 37.657 -21.713 1.00 0.00 N ATOM 0 H ARG A 121 -18.697 37.937 -28.502 1.00 0.00 H new ATOM 0 HA ARG A 121 -21.523 37.421 -28.653 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -21.292 36.950 -26.224 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -20.151 36.056 -27.209 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -18.754 36.678 -25.476 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -18.480 38.028 -26.559 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -18.758 38.938 -24.343 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -20.192 39.363 -25.255 1.00 0.00 H new ATOM 0 HE ARG A 121 -20.941 36.995 -24.050 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -19.625 40.054 -22.820 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -20.374 39.856 -21.232 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -21.854 36.764 -21.998 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -21.621 38.016 -20.773 1.00 0.00 H new ATOM 2016 N LEU A 122 -20.591 40.381 -27.753 1.00 0.00 N ATOM 2017 CA LEU A 122 -21.045 41.753 -27.451 1.00 0.00 C ATOM 2018 C LEU A 122 -21.989 42.236 -28.574 1.00 0.00 C ATOM 2019 O LEU A 122 -23.067 42.758 -28.299 1.00 0.00 O ATOM 2020 CB LEU A 122 -19.796 42.692 -27.279 1.00 0.00 C ATOM 2021 CG LEU A 122 -19.985 44.055 -26.510 1.00 0.00 C ATOM 2022 CD1 LEU A 122 -18.610 44.677 -26.162 1.00 0.00 C ATOM 2023 CD2 LEU A 122 -20.853 45.084 -27.288 1.00 0.00 C ATOM 0 H LEU A 122 -19.615 40.330 -28.046 1.00 0.00 H new ATOM 0 HA LEU A 122 -21.604 41.775 -26.515 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -19.022 42.124 -26.763 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -19.414 42.922 -28.273 1.00 0.00 H new ATOM 0 HG LEU A 122 -20.525 43.816 -25.593 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -18.760 45.617 -25.631 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -18.049 43.989 -25.530 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -18.052 44.863 -27.080 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -20.944 45.999 -26.703 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -20.381 45.309 -28.244 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -21.844 44.666 -27.463 1.00 0.00 H new ATOM 2035 N GLN A 123 -21.567 42.044 -29.840 1.00 0.00 N ATOM 2036 CA GLN A 123 -22.319 42.511 -31.031 1.00 0.00 C ATOM 2037 C GLN A 123 -23.489 41.573 -31.381 1.00 0.00 C ATOM 2038 O GLN A 123 -24.518 42.033 -31.878 1.00 0.00 O ATOM 2039 CB GLN A 123 -21.364 42.658 -32.246 1.00 0.00 C ATOM 2040 CG GLN A 123 -20.316 43.784 -32.099 1.00 0.00 C ATOM 2041 CD GLN A 123 -19.350 43.884 -33.285 1.00 0.00 C ATOM 2042 OE1 GLN A 123 -19.021 42.888 -33.928 1.00 0.00 O ATOM 2043 NE2 GLN A 123 -18.892 45.087 -33.587 1.00 0.00 N ATOM 0 H GLN A 123 -20.698 41.562 -30.069 1.00 0.00 H new ATOM 0 HA GLN A 123 -22.744 43.485 -30.787 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -20.845 41.712 -32.401 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -21.959 42.846 -33.140 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -20.833 44.736 -31.981 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -19.742 43.618 -31.187 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -19.181 45.896 -33.037 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -18.249 45.206 -34.370 1.00 0.00 H new