USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=20 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 -145:sc= 0 (180deg=-1.02) 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+ -179:sc= 1.49 (180deg=1.43) USER MOD Single : A 31 GLN : amide:sc= -0.832 K(o=-0.83,f=-0.26) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.479 X(o=-0.48,f=-0.33) USER MOD Single : A 38 LYS NZ :NH3+ 157:sc= -0.107 (180deg=-2.28!) USER MOD Single : A 43 LYS NZ :NH3+ -146:sc= 0.665 (180deg=0.0218) USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 52 GLN : amide:sc= -3.56 K(o=-3.6,f=-5.3!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 101:sc= 0.383 USER MOD Single : A 62 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -176:sc= 0.0517 (180deg=0.0494) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 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 76:sc= 0.802 USER MOD Single : A 106 THR OG1 : rot -170:sc= 0.106 USER MOD Single : A 107 LYS NZ :NH3+ -168:sc= -0.031 (180deg=-0.201) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 LYS NZ :NH3+ 171:sc= 0.655 (180deg=0.438) USER MOD Single : A 120 LYS NZ :NH3+ -156:sc= -0.0631 (180deg=-0.471) USER MOD Single : A 123 GLN : amide:sc= 0.0662 X(o=0.066,f=0) USER MOD ----------------------------------------------------------------- ATOM 296 N ARG A 22 -7.180 28.531 -16.492 1.00 0.00 N ATOM 297 CA ARG A 22 -8.324 28.590 -17.422 1.00 0.00 C ATOM 298 C ARG A 22 -9.612 28.059 -16.755 1.00 0.00 C ATOM 299 O ARG A 22 -9.524 27.210 -15.853 1.00 0.00 O ATOM 300 CB ARG A 22 -7.979 27.797 -18.717 1.00 0.00 C ATOM 301 CG ARG A 22 -6.796 28.411 -19.506 1.00 0.00 C ATOM 302 CD ARG A 22 -6.532 27.717 -20.853 1.00 0.00 C ATOM 303 NE ARG A 22 -5.487 28.416 -21.625 1.00 0.00 N ATOM 304 CZ ARG A 22 -4.695 27.863 -22.557 1.00 0.00 C ATOM 305 NH1 ARG A 22 -4.752 26.561 -22.824 1.00 0.00 N ATOM 306 NH2 ARG A 22 -3.832 28.623 -23.207 1.00 0.00 N ATOM 0 HA ARG A 22 -8.514 29.629 -17.690 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -7.737 26.768 -18.452 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -8.858 27.762 -19.360 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.997 29.467 -19.684 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -5.895 28.357 -18.895 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -6.228 26.685 -20.678 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -7.454 27.684 -21.433 1.00 0.00 H new ATOM 0 HE ARG A 22 -5.354 29.409 -21.433 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -5.406 25.965 -22.317 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -4.142 26.159 -23.536 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -3.772 29.620 -22.999 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -3.225 28.213 -23.917 1.00 0.00 H new ATOM 320 N PRO A 23 -10.832 28.577 -17.162 1.00 0.00 N ATOM 321 CA PRO A 23 -12.146 28.143 -16.601 1.00 0.00 C ATOM 322 C PRO A 23 -12.385 26.623 -16.680 1.00 0.00 C ATOM 323 O PRO A 23 -11.668 25.894 -17.367 1.00 0.00 O ATOM 324 CB PRO A 23 -13.189 28.924 -17.444 1.00 0.00 C ATOM 325 CG PRO A 23 -12.442 30.138 -17.904 1.00 0.00 C ATOM 326 CD PRO A 23 -11.027 29.661 -18.165 1.00 0.00 C ATOM 0 HA PRO A 23 -12.204 28.355 -15.533 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -13.547 28.332 -18.286 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -14.062 29.193 -16.850 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -12.889 30.557 -18.806 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -12.460 30.921 -17.146 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -10.910 29.291 -19.183 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -10.302 30.464 -18.033 1.00 0.00 H new ATOM 334 N MET A 24 -13.404 26.163 -15.952 1.00 0.00 N ATOM 335 CA MET A 24 -13.717 24.730 -15.795 1.00 0.00 C ATOM 336 C MET A 24 -15.182 24.487 -16.151 1.00 0.00 C ATOM 337 O MET A 24 -15.926 25.437 -16.442 1.00 0.00 O ATOM 338 CB MET A 24 -13.446 24.303 -14.322 1.00 0.00 C ATOM 339 CG MET A 24 -12.045 24.655 -13.813 1.00 0.00 C ATOM 340 SD MET A 24 -11.883 24.455 -12.035 1.00 0.00 S ATOM 341 CE MET A 24 -10.320 25.275 -11.742 1.00 0.00 C ATOM 0 H MET A 24 -14.045 26.776 -15.448 1.00 0.00 H new ATOM 0 HA MET A 24 -13.088 24.139 -16.461 1.00 0.00 H new ATOM 0 HB2 MET A 24 -14.185 24.778 -13.676 1.00 0.00 H new ATOM 0 HB3 MET A 24 -13.592 23.226 -14.235 1.00 0.00 H new ATOM 0 HG2 MET A 24 -11.312 24.023 -14.314 1.00 0.00 H new ATOM 0 HG3 MET A 24 -11.814 25.686 -14.081 1.00 0.00 H new ATOM 0 HE1 MET A 24 -9.784 24.762 -10.944 1.00 0.00 H new ATOM 0 HE2 MET A 24 -9.722 25.254 -12.653 1.00 0.00 H new ATOM 0 HE3 MET A 24 -10.501 26.310 -11.450 1.00 0.00 H new ATOM 351 N SER A 25 -15.595 23.212 -16.118 1.00 0.00 N ATOM 352 CA SER A 25 -17.004 22.856 -16.202 1.00 0.00 C ATOM 353 C SER A 25 -17.672 23.230 -14.867 1.00 0.00 C ATOM 354 O SER A 25 -17.159 22.906 -13.780 1.00 0.00 O ATOM 355 CB SER A 25 -17.151 21.351 -16.512 1.00 0.00 C ATOM 356 OG SER A 25 -16.475 21.016 -17.720 1.00 0.00 O ATOM 0 H SER A 25 -14.965 22.414 -16.033 1.00 0.00 H new ATOM 0 HA SER A 25 -17.493 23.400 -17.010 1.00 0.00 H new ATOM 0 HB2 SER A 25 -16.745 20.764 -15.688 1.00 0.00 H new ATOM 0 HB3 SER A 25 -18.207 21.094 -16.597 1.00 0.00 H new ATOM 0 HG SER A 25 -16.579 20.058 -17.898 1.00 0.00 H new ATOM 362 N TYR A 26 -18.809 23.927 -14.963 1.00 0.00 N ATOM 363 CA TYR A 26 -19.520 24.474 -13.796 1.00 0.00 C ATOM 364 C TYR A 26 -20.178 23.354 -13.000 1.00 0.00 C ATOM 365 O TYR A 26 -20.326 23.476 -11.794 1.00 0.00 O ATOM 366 CB TYR A 26 -20.541 25.557 -14.236 1.00 0.00 C ATOM 367 CG TYR A 26 -19.919 26.581 -15.215 1.00 0.00 C ATOM 368 CD1 TYR A 26 -18.796 27.341 -14.860 1.00 0.00 C ATOM 369 CD2 TYR A 26 -20.423 26.745 -16.509 1.00 0.00 C ATOM 370 CE1 TYR A 26 -18.210 28.214 -15.756 1.00 0.00 C ATOM 371 CE2 TYR A 26 -19.840 27.628 -17.397 1.00 0.00 C ATOM 372 CZ TYR A 26 -18.736 28.352 -17.015 1.00 0.00 C ATOM 373 OH TYR A 26 -18.144 29.207 -17.904 1.00 0.00 O ATOM 0 H TYR A 26 -19.265 24.130 -15.852 1.00 0.00 H new ATOM 0 HA TYR A 26 -18.799 24.960 -13.138 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -21.397 25.076 -14.710 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -20.916 26.079 -13.356 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -18.381 27.242 -13.868 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -21.283 26.171 -16.820 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -17.341 28.786 -15.466 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -20.251 27.749 -18.389 1.00 0.00 H new ATOM 0 HH TYR A 26 -18.636 29.190 -18.751 1.00 0.00 H new ATOM 383 N ASP A 27 -20.508 22.248 -13.704 1.00 0.00 N ATOM 384 CA ASP A 27 -21.010 20.987 -13.107 1.00 0.00 C ATOM 385 C ASP A 27 -20.096 20.472 -11.982 1.00 0.00 C ATOM 386 O ASP A 27 -20.595 19.944 -10.988 1.00 0.00 O ATOM 387 CB ASP A 27 -21.168 19.880 -14.203 1.00 0.00 C ATOM 388 CG ASP A 27 -22.421 20.045 -15.081 1.00 0.00 C ATOM 389 OD1 ASP A 27 -23.452 19.398 -14.795 1.00 0.00 O ATOM 390 OD2 ASP A 27 -22.404 20.846 -16.036 1.00 0.00 O ATOM 0 H ASP A 27 -20.432 22.205 -14.720 1.00 0.00 H new ATOM 0 HA ASP A 27 -21.984 21.211 -12.672 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -20.285 19.887 -14.842 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -21.202 18.905 -13.718 1.00 0.00 H new ATOM 395 N GLU A 28 -18.768 20.646 -12.147 1.00 0.00 N ATOM 396 CA GLU A 28 -17.777 20.159 -11.177 1.00 0.00 C ATOM 397 C GLU A 28 -17.920 20.896 -9.829 1.00 0.00 C ATOM 398 O GLU A 28 -18.163 20.281 -8.801 1.00 0.00 O ATOM 399 CB GLU A 28 -16.337 20.396 -11.704 1.00 0.00 C ATOM 400 CG GLU A 28 -15.971 19.753 -13.060 1.00 0.00 C ATOM 401 CD GLU A 28 -14.541 20.129 -13.514 1.00 0.00 C ATOM 402 OE1 GLU A 28 -13.566 19.681 -12.869 1.00 0.00 O ATOM 403 OE2 GLU A 28 -14.382 20.910 -14.476 1.00 0.00 O ATOM 0 H GLU A 28 -18.360 21.124 -12.950 1.00 0.00 H new ATOM 0 HA GLU A 28 -17.956 19.093 -11.037 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -16.179 21.471 -11.786 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -15.637 20.027 -10.954 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -16.053 18.669 -12.981 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -16.687 20.072 -13.817 1.00 0.00 H new ATOM 410 N LYS A 29 -17.797 22.240 -9.884 1.00 0.00 N ATOM 411 CA LYS A 29 -17.806 23.110 -8.689 1.00 0.00 C ATOM 412 C LYS A 29 -19.226 23.243 -8.083 1.00 0.00 C ATOM 413 O LYS A 29 -19.374 23.487 -6.882 1.00 0.00 O ATOM 414 CB LYS A 29 -17.211 24.514 -9.016 1.00 0.00 C ATOM 415 CG LYS A 29 -15.664 24.673 -8.950 1.00 0.00 C ATOM 416 CD LYS A 29 -14.866 24.010 -10.120 1.00 0.00 C ATOM 417 CE LYS A 29 -14.319 22.615 -9.783 1.00 0.00 C ATOM 418 NZ LYS A 29 -13.425 22.085 -10.853 1.00 0.00 N ATOM 0 H LYS A 29 -17.689 22.752 -10.759 1.00 0.00 H new ATOM 0 HA LYS A 29 -17.174 22.635 -7.939 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -17.535 24.791 -10.019 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -17.653 25.235 -8.328 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -15.427 25.737 -8.929 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -15.313 24.250 -8.009 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -15.514 23.935 -10.993 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -14.035 24.660 -10.395 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -13.770 22.660 -8.843 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -15.151 21.927 -9.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -13.094 21.135 -10.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -13.950 22.033 -11.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -12.607 22.717 -10.967 1.00 0.00 H new ATOM 432 N ARG A 30 -20.255 23.077 -8.925 1.00 0.00 N ATOM 433 CA ARG A 30 -21.675 23.138 -8.508 1.00 0.00 C ATOM 434 C ARG A 30 -22.060 21.838 -7.772 1.00 0.00 C ATOM 435 O ARG A 30 -22.927 21.839 -6.889 1.00 0.00 O ATOM 436 CB ARG A 30 -22.556 23.388 -9.755 1.00 0.00 C ATOM 437 CG ARG A 30 -24.067 23.563 -9.505 1.00 0.00 C ATOM 438 CD ARG A 30 -24.815 23.987 -10.785 1.00 0.00 C ATOM 439 NE ARG A 30 -24.587 23.047 -11.907 1.00 0.00 N ATOM 440 CZ ARG A 30 -24.160 23.388 -13.138 1.00 0.00 C ATOM 441 NH1 ARG A 30 -23.849 24.637 -13.442 1.00 0.00 N ATOM 442 NH2 ARG A 30 -24.034 22.461 -14.064 1.00 0.00 N ATOM 0 H ARG A 30 -20.132 22.895 -9.921 1.00 0.00 H new ATOM 0 HA ARG A 30 -21.834 23.962 -7.812 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -22.188 24.281 -10.259 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -22.418 22.554 -10.443 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -24.484 22.627 -9.133 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -24.222 24.312 -8.728 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -25.883 24.047 -10.576 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -24.491 24.985 -11.079 1.00 0.00 H new ATOM 0 HE ARG A 30 -24.769 22.059 -11.733 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -23.930 25.369 -12.736 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -23.528 24.868 -14.382 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -24.259 21.490 -13.848 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -23.711 22.714 -14.998 1.00 0.00 H new ATOM 456 N GLN A 31 -21.375 20.739 -8.138 1.00 0.00 N ATOM 457 CA GLN A 31 -21.434 19.465 -7.394 1.00 0.00 C ATOM 458 C GLN A 31 -20.761 19.640 -6.012 1.00 0.00 C ATOM 459 O GLN A 31 -21.233 19.094 -5.002 1.00 0.00 O ATOM 460 CB GLN A 31 -20.742 18.338 -8.219 1.00 0.00 C ATOM 461 CG GLN A 31 -20.773 16.927 -7.588 1.00 0.00 C ATOM 462 CD GLN A 31 -22.183 16.371 -7.393 1.00 0.00 C ATOM 463 OE1 GLN A 31 -22.730 15.714 -8.279 1.00 0.00 O ATOM 464 NE2 GLN A 31 -22.777 16.627 -6.237 1.00 0.00 N ATOM 0 H GLN A 31 -20.766 20.708 -8.956 1.00 0.00 H new ATOM 0 HA GLN A 31 -22.474 19.179 -7.236 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -21.216 18.288 -9.199 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -19.702 18.620 -8.382 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -20.207 16.243 -8.221 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -20.268 16.959 -6.622 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -22.293 17.175 -5.525 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -23.718 16.276 -6.058 1.00 0.00 H new ATOM 473 N LEU A 32 -19.679 20.452 -5.990 1.00 0.00 N ATOM 474 CA LEU A 32 -18.931 20.757 -4.753 1.00 0.00 C ATOM 475 C LEU A 32 -19.741 21.662 -3.819 1.00 0.00 C ATOM 476 O LEU A 32 -19.486 21.661 -2.635 1.00 0.00 O ATOM 477 CB LEU A 32 -17.556 21.430 -5.036 1.00 0.00 C ATOM 478 CG LEU A 32 -16.641 20.745 -6.092 1.00 0.00 C ATOM 479 CD1 LEU A 32 -15.269 21.430 -6.165 1.00 0.00 C ATOM 480 CD2 LEU A 32 -16.508 19.229 -5.873 1.00 0.00 C ATOM 0 H LEU A 32 -19.304 20.909 -6.821 1.00 0.00 H new ATOM 0 HA LEU A 32 -18.752 19.796 -4.271 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -17.740 22.454 -5.360 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -17.006 21.487 -4.096 1.00 0.00 H new ATOM 0 HG LEU A 32 -17.131 20.869 -7.058 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -14.652 20.930 -6.911 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -15.399 22.476 -6.444 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -14.781 21.372 -5.192 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -15.858 18.806 -6.639 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -16.079 19.040 -4.889 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -17.492 18.765 -5.935 1.00 0.00 H new ATOM 492 N SER A 33 -20.693 22.449 -4.364 1.00 0.00 N ATOM 493 CA SER A 33 -21.566 23.344 -3.558 1.00 0.00 C ATOM 494 C SER A 33 -22.359 22.534 -2.507 1.00 0.00 C ATOM 495 O SER A 33 -22.439 22.914 -1.335 1.00 0.00 O ATOM 496 CB SER A 33 -22.529 24.128 -4.481 1.00 0.00 C ATOM 497 OG SER A 33 -23.353 25.040 -3.756 1.00 0.00 O ATOM 0 H SER A 33 -20.881 22.486 -5.366 1.00 0.00 H new ATOM 0 HA SER A 33 -20.934 24.057 -3.030 1.00 0.00 H new ATOM 0 HB2 SER A 33 -21.950 24.677 -5.224 1.00 0.00 H new ATOM 0 HB3 SER A 33 -23.160 23.425 -5.025 1.00 0.00 H new ATOM 0 HG SER A 33 -23.943 25.514 -4.379 1.00 0.00 H new ATOM 503 N LEU A 34 -22.890 21.383 -2.962 1.00 0.00 N ATOM 504 CA LEU A 34 -23.589 20.405 -2.107 1.00 0.00 C ATOM 505 C LEU A 34 -22.635 19.827 -1.044 1.00 0.00 C ATOM 506 O LEU A 34 -23.029 19.558 0.096 1.00 0.00 O ATOM 507 CB LEU A 34 -24.151 19.261 -2.992 1.00 0.00 C ATOM 508 CG LEU A 34 -25.106 19.699 -4.151 1.00 0.00 C ATOM 509 CD1 LEU A 34 -25.451 18.501 -5.070 1.00 0.00 C ATOM 510 CD2 LEU A 34 -26.392 20.379 -3.602 1.00 0.00 C ATOM 0 H LEU A 34 -22.845 21.104 -3.942 1.00 0.00 H new ATOM 0 HA LEU A 34 -24.407 20.908 -1.592 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -23.311 18.717 -3.425 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -24.687 18.562 -2.350 1.00 0.00 H new ATOM 0 HG LEU A 34 -24.578 20.439 -4.752 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -26.116 18.834 -5.867 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -24.535 18.101 -5.505 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -25.945 17.725 -4.486 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -27.033 20.671 -4.434 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -26.927 19.680 -2.959 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -26.119 21.264 -3.027 1.00 0.00 H new ATOM 522 N ASP A 35 -21.371 19.656 -1.458 1.00 0.00 N ATOM 523 CA ASP A 35 -20.298 19.089 -0.629 1.00 0.00 C ATOM 524 C ASP A 35 -19.868 20.087 0.479 1.00 0.00 C ATOM 525 O ASP A 35 -19.503 19.673 1.584 1.00 0.00 O ATOM 526 CB ASP A 35 -19.101 18.696 -1.546 1.00 0.00 C ATOM 527 CG ASP A 35 -18.043 17.819 -0.857 1.00 0.00 C ATOM 528 OD1 ASP A 35 -18.001 16.593 -1.106 1.00 0.00 O ATOM 529 OD2 ASP A 35 -17.270 18.336 -0.048 1.00 0.00 O ATOM 0 H ASP A 35 -21.061 19.913 -2.395 1.00 0.00 H new ATOM 0 HA ASP A 35 -20.661 18.194 -0.124 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -19.484 18.166 -2.418 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -18.622 19.605 -1.910 1.00 0.00 H new ATOM 534 N ILE A 36 -19.944 21.399 0.167 1.00 0.00 N ATOM 535 CA ILE A 36 -19.619 22.490 1.124 1.00 0.00 C ATOM 536 C ILE A 36 -20.701 22.580 2.216 1.00 0.00 C ATOM 537 O ILE A 36 -20.416 22.936 3.363 1.00 0.00 O ATOM 538 CB ILE A 36 -19.477 23.895 0.394 1.00 0.00 C ATOM 539 CG1 ILE A 36 -18.375 23.842 -0.711 1.00 0.00 C ATOM 540 CG2 ILE A 36 -19.177 25.056 1.394 1.00 0.00 C ATOM 541 CD1 ILE A 36 -18.304 25.071 -1.609 1.00 0.00 C ATOM 0 H ILE A 36 -20.231 21.736 -0.752 1.00 0.00 H new ATOM 0 HA ILE A 36 -18.658 22.249 1.579 1.00 0.00 H new ATOM 0 HB ILE A 36 -20.440 24.102 -0.073 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -17.406 23.705 -0.231 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -18.548 22.965 -1.334 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -19.089 25.994 0.846 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -19.989 25.133 2.117 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -18.243 24.853 1.918 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -17.509 24.940 -2.343 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -19.256 25.201 -2.124 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -18.096 25.953 -1.003 1.00 0.00 H new ATOM 553 N ASN A 37 -21.945 22.224 1.840 1.00 0.00 N ATOM 554 CA ASN A 37 -23.094 22.188 2.775 1.00 0.00 C ATOM 555 C ASN A 37 -22.918 21.118 3.889 1.00 0.00 C ATOM 556 O ASN A 37 -23.698 21.090 4.840 1.00 0.00 O ATOM 557 CB ASN A 37 -24.422 21.939 2.003 1.00 0.00 C ATOM 558 CG ASN A 37 -24.710 22.974 0.899 1.00 0.00 C ATOM 559 OD1 ASN A 37 -24.245 24.107 0.944 1.00 0.00 O ATOM 560 ND2 ASN A 37 -25.490 22.585 -0.101 1.00 0.00 N ATOM 0 H ASN A 37 -22.184 21.954 0.886 1.00 0.00 H new ATOM 0 HA ASN A 37 -23.136 23.163 3.261 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -24.389 20.946 1.555 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -25.249 21.941 2.713 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -25.715 23.234 -0.855 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -25.865 21.637 -0.116 1.00 0.00 H new ATOM 567 N LYS A 38 -21.898 20.237 3.749 1.00 0.00 N ATOM 568 CA LYS A 38 -21.556 19.205 4.757 1.00 0.00 C ATOM 569 C LYS A 38 -20.616 19.751 5.851 1.00 0.00 C ATOM 570 O LYS A 38 -20.333 19.052 6.827 1.00 0.00 O ATOM 571 CB LYS A 38 -20.911 17.976 4.069 1.00 0.00 C ATOM 572 CG LYS A 38 -21.799 17.317 2.989 1.00 0.00 C ATOM 573 CD LYS A 38 -21.279 15.930 2.509 1.00 0.00 C ATOM 574 CE LYS A 38 -20.113 15.994 1.497 1.00 0.00 C ATOM 575 NZ LYS A 38 -18.903 16.722 1.986 1.00 0.00 N ATOM 0 H LYS A 38 -21.288 20.222 2.932 1.00 0.00 H new ATOM 0 HA LYS A 38 -22.485 18.905 5.242 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -19.969 18.282 3.613 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -20.670 17.233 4.829 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -22.808 17.200 3.384 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -21.868 17.986 2.131 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -20.957 15.357 3.378 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -22.106 15.384 2.056 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -19.825 14.977 1.229 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -20.467 16.476 0.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -18.068 16.403 1.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -19.033 17.744 1.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -18.765 16.526 2.998 1.00 0.00 H new ATOM 589 N LEU A 39 -20.125 20.984 5.665 1.00 0.00 N ATOM 590 CA LEU A 39 -19.276 21.681 6.653 1.00 0.00 C ATOM 591 C LEU A 39 -20.178 22.464 7.644 1.00 0.00 C ATOM 592 O LEU A 39 -21.280 22.873 7.260 1.00 0.00 O ATOM 593 CB LEU A 39 -18.290 22.632 5.915 1.00 0.00 C ATOM 594 CG LEU A 39 -17.342 21.949 4.868 1.00 0.00 C ATOM 595 CD1 LEU A 39 -16.529 22.988 4.060 1.00 0.00 C ATOM 596 CD2 LEU A 39 -16.405 20.913 5.549 1.00 0.00 C ATOM 0 H LEU A 39 -20.304 21.532 4.823 1.00 0.00 H new ATOM 0 HA LEU A 39 -18.690 20.958 7.220 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -18.869 23.402 5.405 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -17.675 23.137 6.660 1.00 0.00 H new ATOM 0 HG LEU A 39 -17.977 21.415 4.161 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -15.886 22.472 3.347 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -17.212 23.646 3.523 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -15.916 23.579 4.740 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -15.760 20.457 4.798 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -15.792 21.414 6.298 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -17.005 20.140 6.030 1.00 0.00 H new ATOM 608 N PRO A 40 -19.761 22.646 8.945 1.00 0.00 N ATOM 609 CA PRO A 40 -20.521 23.481 9.915 1.00 0.00 C ATOM 610 C PRO A 40 -20.515 24.982 9.532 1.00 0.00 C ATOM 611 O PRO A 40 -19.536 25.473 8.944 1.00 0.00 O ATOM 612 CB PRO A 40 -19.807 23.220 11.270 1.00 0.00 C ATOM 613 CG PRO A 40 -18.426 22.776 10.898 1.00 0.00 C ATOM 614 CD PRO A 40 -18.560 22.030 9.583 1.00 0.00 C ATOM 0 HA PRO A 40 -21.579 23.220 9.944 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -19.781 24.121 11.883 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -20.325 22.456 11.849 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -17.757 23.630 10.794 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -18.003 22.132 11.669 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -17.672 22.150 8.963 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -18.696 20.960 9.742 1.00 0.00 H new ATOM 622 N GLY A 41 -21.623 25.675 9.883 1.00 0.00 N ATOM 623 CA GLY A 41 -21.868 27.078 9.508 1.00 0.00 C ATOM 624 C GLY A 41 -20.766 28.044 9.934 1.00 0.00 C ATOM 625 O GLY A 41 -20.495 29.024 9.234 1.00 0.00 O ATOM 0 H GLY A 41 -22.375 25.268 10.439 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -21.988 27.137 8.426 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -22.810 27.401 9.952 1.00 0.00 H new ATOM 629 N GLU A 42 -20.142 27.752 11.095 1.00 0.00 N ATOM 630 CA GLU A 42 -18.998 28.521 11.640 1.00 0.00 C ATOM 631 C GLU A 42 -17.828 28.602 10.626 1.00 0.00 C ATOM 632 O GLU A 42 -17.157 29.627 10.524 1.00 0.00 O ATOM 633 CB GLU A 42 -18.504 27.876 12.968 1.00 0.00 C ATOM 634 CG GLU A 42 -18.124 26.378 12.845 1.00 0.00 C ATOM 635 CD GLU A 42 -17.263 25.861 14.006 1.00 0.00 C ATOM 636 OE1 GLU A 42 -16.013 25.869 13.882 1.00 0.00 O ATOM 637 OE2 GLU A 42 -17.821 25.465 15.052 1.00 0.00 O ATOM 0 H GLU A 42 -20.419 26.969 11.687 1.00 0.00 H new ATOM 0 HA GLU A 42 -19.344 29.536 11.834 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -17.637 28.431 13.328 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -19.284 27.980 13.722 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -19.037 25.784 12.789 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -17.586 26.225 11.909 1.00 0.00 H new ATOM 644 N LYS A 43 -17.622 27.506 9.879 1.00 0.00 N ATOM 645 CA LYS A 43 -16.511 27.368 8.921 1.00 0.00 C ATOM 646 C LYS A 43 -16.921 27.840 7.522 1.00 0.00 C ATOM 647 O LYS A 43 -16.054 28.175 6.724 1.00 0.00 O ATOM 648 CB LYS A 43 -16.005 25.898 8.888 1.00 0.00 C ATOM 649 CG LYS A 43 -15.567 25.376 10.272 1.00 0.00 C ATOM 650 CD LYS A 43 -14.938 23.964 10.240 1.00 0.00 C ATOM 651 CE LYS A 43 -14.651 23.428 11.657 1.00 0.00 C ATOM 652 NZ LYS A 43 -13.859 24.388 12.471 1.00 0.00 N ATOM 0 H LYS A 43 -18.225 26.685 9.922 1.00 0.00 H new ATOM 0 HA LYS A 43 -15.693 28.007 9.255 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -16.796 25.257 8.498 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -15.166 25.825 8.197 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -14.848 26.074 10.701 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -16.432 25.362 10.935 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -15.610 23.279 9.722 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -14.010 23.993 9.668 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -15.594 23.218 12.162 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -14.111 22.484 11.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -13.223 23.863 13.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -13.296 24.995 11.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -14.503 24.978 13.036 1.00 0.00 H new ATOM 666 N LEU A 44 -18.247 27.889 7.245 1.00 0.00 N ATOM 667 CA LEU A 44 -18.787 28.388 5.950 1.00 0.00 C ATOM 668 C LEU A 44 -18.331 29.832 5.675 1.00 0.00 C ATOM 669 O LEU A 44 -18.051 30.179 4.530 1.00 0.00 O ATOM 670 CB LEU A 44 -20.353 28.277 5.903 1.00 0.00 C ATOM 671 CG LEU A 44 -20.933 27.017 5.177 1.00 0.00 C ATOM 672 CD1 LEU A 44 -20.374 25.706 5.758 1.00 0.00 C ATOM 673 CD2 LEU A 44 -22.484 27.021 5.197 1.00 0.00 C ATOM 0 H LEU A 44 -18.967 27.588 7.902 1.00 0.00 H new ATOM 0 HA LEU A 44 -18.384 27.753 5.161 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -20.728 28.286 6.926 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -20.745 29.167 5.411 1.00 0.00 H new ATOM 0 HG LEU A 44 -20.609 27.071 4.138 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -20.804 24.859 5.224 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -19.290 25.692 5.647 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -20.632 25.637 6.815 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -22.857 26.134 4.685 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -22.835 27.019 6.229 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -22.852 27.913 4.691 1.00 0.00 H new ATOM 685 N GLY A 45 -18.262 30.656 6.742 1.00 0.00 N ATOM 686 CA GLY A 45 -17.799 32.046 6.628 1.00 0.00 C ATOM 687 C GLY A 45 -16.309 32.170 6.310 1.00 0.00 C ATOM 688 O GLY A 45 -15.872 33.200 5.802 1.00 0.00 O ATOM 0 H GLY A 45 -18.522 30.379 7.689 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -18.372 32.548 5.848 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -18.007 32.567 7.562 1.00 0.00 H new ATOM 692 N ARG A 46 -15.536 31.102 6.601 1.00 0.00 N ATOM 693 CA ARG A 46 -14.100 31.006 6.249 1.00 0.00 C ATOM 694 C ARG A 46 -13.953 30.524 4.791 1.00 0.00 C ATOM 695 O ARG A 46 -13.133 31.056 4.035 1.00 0.00 O ATOM 696 CB ARG A 46 -13.354 30.024 7.202 1.00 0.00 C ATOM 697 CG ARG A 46 -13.344 30.406 8.700 1.00 0.00 C ATOM 698 CD ARG A 46 -12.661 31.766 8.985 1.00 0.00 C ATOM 699 NE ARG A 46 -12.304 31.911 10.418 1.00 0.00 N ATOM 700 CZ ARG A 46 -12.974 32.615 11.347 1.00 0.00 C ATOM 701 NH1 ARG A 46 -14.096 33.247 11.053 1.00 0.00 N ATOM 702 NH2 ARG A 46 -12.503 32.676 12.585 1.00 0.00 N ATOM 0 H ARG A 46 -15.890 30.279 7.088 1.00 0.00 H new ATOM 0 HA ARG A 46 -13.655 31.995 6.357 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -13.808 29.038 7.102 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -12.322 29.935 6.864 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -14.370 30.440 9.065 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -12.831 29.626 9.263 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -11.762 31.857 8.375 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -13.328 32.577 8.692 1.00 0.00 H new ATOM 0 HE ARG A 46 -11.463 31.426 10.731 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -14.471 33.207 10.105 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -14.588 33.775 11.774 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -11.639 32.191 12.826 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -13.005 33.208 13.296 1.00 0.00 H new ATOM 716 N VAL A 47 -14.772 29.516 4.426 1.00 0.00 N ATOM 717 CA VAL A 47 -14.745 28.878 3.094 1.00 0.00 C ATOM 718 C VAL A 47 -15.111 29.888 2.003 1.00 0.00 C ATOM 719 O VAL A 47 -14.451 29.961 0.968 1.00 0.00 O ATOM 720 CB VAL A 47 -15.712 27.624 3.016 1.00 0.00 C ATOM 721 CG1 VAL A 47 -15.723 26.975 1.603 1.00 0.00 C ATOM 722 CG2 VAL A 47 -15.340 26.575 4.091 1.00 0.00 C ATOM 0 H VAL A 47 -15.474 29.120 5.051 1.00 0.00 H new ATOM 0 HA VAL A 47 -13.727 28.525 2.930 1.00 0.00 H new ATOM 0 HB VAL A 47 -16.720 27.988 3.213 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -16.400 26.121 1.600 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -16.060 27.707 0.869 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -14.717 26.642 1.348 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -16.017 25.724 4.018 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -14.315 26.239 3.932 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -15.425 27.023 5.081 1.00 0.00 H new ATOM 732 N VAL A 48 -16.162 30.671 2.261 1.00 0.00 N ATOM 733 CA VAL A 48 -16.656 31.667 1.304 1.00 0.00 C ATOM 734 C VAL A 48 -15.753 32.920 1.291 1.00 0.00 C ATOM 735 O VAL A 48 -15.703 33.623 0.290 1.00 0.00 O ATOM 736 CB VAL A 48 -18.162 32.066 1.585 1.00 0.00 C ATOM 737 CG1 VAL A 48 -18.322 32.958 2.847 1.00 0.00 C ATOM 738 CG2 VAL A 48 -18.799 32.714 0.338 1.00 0.00 C ATOM 0 H VAL A 48 -16.692 30.634 3.132 1.00 0.00 H new ATOM 0 HA VAL A 48 -16.620 31.205 0.317 1.00 0.00 H new ATOM 0 HB VAL A 48 -18.703 31.144 1.800 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -19.375 33.200 2.990 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -17.951 32.422 3.721 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -17.752 33.878 2.717 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -19.834 32.980 0.555 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -18.242 33.612 0.070 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -18.772 32.009 -0.493 1.00 0.00 H new ATOM 748 N HIS A 49 -15.009 33.164 2.401 1.00 0.00 N ATOM 749 CA HIS A 49 -14.200 34.402 2.584 1.00 0.00 C ATOM 750 C HIS A 49 -13.086 34.545 1.522 1.00 0.00 C ATOM 751 O HIS A 49 -12.702 35.665 1.177 1.00 0.00 O ATOM 752 CB HIS A 49 -13.590 34.467 4.007 1.00 0.00 C ATOM 753 CG HIS A 49 -13.023 35.819 4.373 1.00 0.00 C ATOM 754 ND1 HIS A 49 -11.679 36.112 4.416 1.00 0.00 N ATOM 755 CD2 HIS A 49 -13.662 36.983 4.672 1.00 0.00 C ATOM 756 CE1 HIS A 49 -11.542 37.398 4.757 1.00 0.00 C ATOM 757 NE2 HIS A 49 -12.717 37.978 4.911 1.00 0.00 N ATOM 0 H HIS A 49 -14.952 32.517 3.188 1.00 0.00 H new ATOM 0 HA HIS A 49 -14.887 35.239 2.454 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -14.358 34.198 4.733 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -12.800 33.720 4.087 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -14.733 37.114 4.717 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -10.593 37.897 4.889 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -12.896 38.952 5.154 1.00 0.00 H new ATOM 765 N ILE A 50 -12.594 33.397 1.009 1.00 0.00 N ATOM 766 CA ILE A 50 -11.572 33.359 -0.063 1.00 0.00 C ATOM 767 C ILE A 50 -12.174 33.872 -1.400 1.00 0.00 C ATOM 768 O ILE A 50 -11.477 34.455 -2.230 1.00 0.00 O ATOM 769 CB ILE A 50 -10.949 31.906 -0.230 1.00 0.00 C ATOM 770 CG1 ILE A 50 -11.970 30.887 -0.862 1.00 0.00 C ATOM 771 CG2 ILE A 50 -10.426 31.382 1.144 1.00 0.00 C ATOM 772 CD1 ILE A 50 -11.410 29.495 -1.118 1.00 0.00 C ATOM 0 H ILE A 50 -12.891 32.473 1.324 1.00 0.00 H new ATOM 0 HA ILE A 50 -10.757 34.023 0.225 1.00 0.00 H new ATOM 0 HB ILE A 50 -10.112 31.988 -0.923 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -12.831 30.800 -0.200 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -12.333 31.296 -1.805 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -10.002 30.386 1.016 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -9.659 32.057 1.523 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -11.252 31.336 1.854 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -12.186 28.865 -1.554 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -10.568 29.563 -1.807 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -11.075 29.059 -0.177 1.00 0.00 H new ATOM 784 N ILE A 51 -13.491 33.649 -1.573 1.00 0.00 N ATOM 785 CA ILE A 51 -14.273 34.146 -2.729 1.00 0.00 C ATOM 786 C ILE A 51 -14.550 35.659 -2.568 1.00 0.00 C ATOM 787 O ILE A 51 -14.418 36.437 -3.522 1.00 0.00 O ATOM 788 CB ILE A 51 -15.646 33.372 -2.830 1.00 0.00 C ATOM 789 CG1 ILE A 51 -15.401 31.822 -2.847 1.00 0.00 C ATOM 790 CG2 ILE A 51 -16.495 33.832 -4.046 1.00 0.00 C ATOM 791 CD1 ILE A 51 -16.662 30.985 -2.740 1.00 0.00 C ATOM 0 H ILE A 51 -14.051 33.114 -0.909 1.00 0.00 H new ATOM 0 HA ILE A 51 -13.696 33.977 -3.638 1.00 0.00 H new ATOM 0 HB ILE A 51 -16.228 33.617 -1.942 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -14.882 31.559 -3.769 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -14.737 31.563 -2.023 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -17.429 33.270 -4.071 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -16.714 34.896 -3.955 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -15.939 33.653 -4.966 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -16.399 29.927 -2.760 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -17.173 31.215 -1.805 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -17.321 31.211 -3.578 1.00 0.00 H new ATOM 803 N GLN A 52 -14.910 36.047 -1.321 1.00 0.00 N ATOM 804 CA GLN A 52 -15.274 37.438 -0.956 1.00 0.00 C ATOM 805 C GLN A 52 -14.046 38.363 -1.066 1.00 0.00 C ATOM 806 O GLN A 52 -14.181 39.568 -1.311 1.00 0.00 O ATOM 807 CB GLN A 52 -15.846 37.500 0.498 1.00 0.00 C ATOM 808 CG GLN A 52 -16.926 36.451 0.843 1.00 0.00 C ATOM 809 CD GLN A 52 -18.096 36.385 -0.140 1.00 0.00 C ATOM 810 OE1 GLN A 52 -19.093 37.053 0.039 1.00 0.00 O ATOM 811 NE2 GLN A 52 -17.984 35.560 -1.172 1.00 0.00 N ATOM 0 H GLN A 52 -14.956 35.399 -0.534 1.00 0.00 H new ATOM 0 HA GLN A 52 -16.042 37.776 -1.652 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -15.019 37.385 1.198 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -16.266 38.493 0.661 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -16.456 35.469 0.892 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -17.317 36.667 1.837 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -17.133 35.011 -1.296 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -18.749 35.474 -1.842 1.00 0.00 H new ATOM 820 N ALA A 53 -12.859 37.752 -0.874 1.00 0.00 N ATOM 821 CA ALA A 53 -11.551 38.415 -0.982 1.00 0.00 C ATOM 822 C ALA A 53 -11.329 39.008 -2.381 1.00 0.00 C ATOM 823 O ALA A 53 -10.678 40.047 -2.530 1.00 0.00 O ATOM 824 CB ALA A 53 -10.436 37.406 -0.652 1.00 0.00 C ATOM 0 H ALA A 53 -12.786 36.763 -0.635 1.00 0.00 H new ATOM 0 HA ALA A 53 -11.527 39.239 -0.269 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -9.466 37.897 -0.732 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -10.572 37.033 0.363 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -10.480 36.573 -1.353 1.00 0.00 H new ATOM 830 N ARG A 54 -11.870 38.321 -3.404 1.00 0.00 N ATOM 831 CA ARG A 54 -11.748 38.736 -4.803 1.00 0.00 C ATOM 832 C ARG A 54 -12.966 39.570 -5.215 1.00 0.00 C ATOM 833 O ARG A 54 -12.838 40.770 -5.473 1.00 0.00 O ATOM 834 CB ARG A 54 -11.586 37.484 -5.708 1.00 0.00 C ATOM 835 CG ARG A 54 -10.318 36.666 -5.396 1.00 0.00 C ATOM 836 CD ARG A 54 -10.135 35.454 -6.319 1.00 0.00 C ATOM 837 NE ARG A 54 -8.855 34.790 -6.051 1.00 0.00 N ATOM 838 CZ ARG A 54 -7.687 35.051 -6.661 1.00 0.00 C ATOM 839 NH1 ARG A 54 -7.616 35.946 -7.639 1.00 0.00 N ATOM 840 NH2 ARG A 54 -6.595 34.405 -6.290 1.00 0.00 N ATOM 0 H ARG A 54 -12.404 37.461 -3.277 1.00 0.00 H new ATOM 0 HA ARG A 54 -10.862 39.360 -4.922 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -12.461 36.844 -5.591 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -11.559 37.799 -6.751 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -9.446 37.314 -5.482 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -10.360 36.323 -4.362 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -10.954 34.750 -6.171 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -10.174 35.774 -7.360 1.00 0.00 H new ATOM 0 HE ARG A 54 -8.851 34.063 -5.336 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -8.455 36.445 -7.936 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -6.723 36.135 -8.094 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -6.641 33.712 -5.543 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -5.706 34.600 -6.750 1.00 0.00 H new ATOM 854 N GLU A 55 -14.152 38.928 -5.216 1.00 0.00 N ATOM 855 CA GLU A 55 -15.390 39.508 -5.766 1.00 0.00 C ATOM 856 C GLU A 55 -16.107 40.398 -4.717 1.00 0.00 C ATOM 857 O GLU A 55 -16.676 39.874 -3.741 1.00 0.00 O ATOM 858 CB GLU A 55 -16.327 38.372 -6.274 1.00 0.00 C ATOM 859 CG GLU A 55 -15.659 37.389 -7.269 1.00 0.00 C ATOM 860 CD GLU A 55 -14.964 38.087 -8.458 1.00 0.00 C ATOM 861 OE1 GLU A 55 -13.721 38.256 -8.431 1.00 0.00 O ATOM 862 OE2 GLU A 55 -15.651 38.494 -9.411 1.00 0.00 O ATOM 0 H GLU A 55 -14.276 37.990 -4.834 1.00 0.00 H new ATOM 0 HA GLU A 55 -15.129 40.148 -6.609 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -16.693 37.808 -5.416 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -17.196 38.822 -6.754 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -14.925 36.786 -6.734 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -16.415 36.704 -7.653 1.00 0.00 H new ATOM 869 N PRO A 56 -16.101 41.769 -4.902 1.00 0.00 N ATOM 870 CA PRO A 56 -16.705 42.718 -3.936 1.00 0.00 C ATOM 871 C PRO A 56 -18.246 42.773 -4.034 1.00 0.00 C ATOM 872 O PRO A 56 -18.912 43.355 -3.170 1.00 0.00 O ATOM 873 CB PRO A 56 -16.057 44.069 -4.330 1.00 0.00 C ATOM 874 CG PRO A 56 -15.838 43.956 -5.807 1.00 0.00 C ATOM 875 CD PRO A 56 -15.506 42.494 -6.068 1.00 0.00 C ATOM 0 HA PRO A 56 -16.521 42.432 -2.900 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -16.708 44.909 -4.087 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -15.118 44.230 -3.800 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -16.728 44.259 -6.358 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -15.025 44.605 -6.132 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -15.933 42.151 -7.010 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -14.429 42.335 -6.129 1.00 0.00 H new ATOM 883 N SER A 57 -18.789 42.155 -5.099 1.00 0.00 N ATOM 884 CA SER A 57 -20.230 42.057 -5.338 1.00 0.00 C ATOM 885 C SER A 57 -20.896 41.134 -4.296 1.00 0.00 C ATOM 886 O SER A 57 -22.008 41.409 -3.830 1.00 0.00 O ATOM 887 CB SER A 57 -20.466 41.532 -6.777 1.00 0.00 C ATOM 888 OG SER A 57 -21.837 41.561 -7.137 1.00 0.00 O ATOM 0 H SER A 57 -18.228 41.706 -5.823 1.00 0.00 H new ATOM 0 HA SER A 57 -20.684 43.043 -5.236 1.00 0.00 H new ATOM 0 HB2 SER A 57 -19.894 42.136 -7.481 1.00 0.00 H new ATOM 0 HB3 SER A 57 -20.092 40.511 -6.856 1.00 0.00 H new ATOM 0 HG SER A 57 -21.942 41.224 -8.051 1.00 0.00 H new ATOM 894 N LEU A 58 -20.183 40.060 -3.918 1.00 0.00 N ATOM 895 CA LEU A 58 -20.721 39.002 -3.039 1.00 0.00 C ATOM 896 C LEU A 58 -20.539 39.320 -1.548 1.00 0.00 C ATOM 897 O LEU A 58 -21.431 39.024 -0.746 1.00 0.00 O ATOM 898 CB LEU A 58 -20.059 37.642 -3.380 1.00 0.00 C ATOM 899 CG LEU A 58 -20.337 37.081 -4.817 1.00 0.00 C ATOM 900 CD1 LEU A 58 -19.663 35.705 -5.004 1.00 0.00 C ATOM 901 CD2 LEU A 58 -21.864 37.009 -5.119 1.00 0.00 C ATOM 0 H LEU A 58 -19.219 39.899 -4.211 1.00 0.00 H new ATOM 0 HA LEU A 58 -21.794 38.947 -3.223 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -18.981 37.744 -3.254 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -20.397 36.904 -2.652 1.00 0.00 H new ATOM 0 HG LEU A 58 -19.900 37.774 -5.536 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -19.868 35.333 -6.008 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -18.586 35.806 -4.867 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -20.058 35.003 -4.269 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -22.018 36.616 -6.124 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -22.348 36.354 -4.395 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -22.296 38.007 -5.050 1.00 0.00 H new ATOM 913 N ARG A 59 -19.382 39.932 -1.194 1.00 0.00 N ATOM 914 CA ARG A 59 -18.974 40.177 0.224 1.00 0.00 C ATOM 915 C ARG A 59 -19.969 41.062 1.007 1.00 0.00 C ATOM 916 O ARG A 59 -19.965 41.063 2.245 1.00 0.00 O ATOM 917 CB ARG A 59 -17.560 40.811 0.292 1.00 0.00 C ATOM 918 CG ARG A 59 -17.474 42.192 -0.359 1.00 0.00 C ATOM 919 CD ARG A 59 -16.166 42.941 -0.060 1.00 0.00 C ATOM 920 NE ARG A 59 -16.183 44.295 -0.641 1.00 0.00 N ATOM 921 CZ ARG A 59 -17.009 45.302 -0.276 1.00 0.00 C ATOM 922 NH1 ARG A 59 -17.868 45.165 0.731 1.00 0.00 N ATOM 923 NH2 ARG A 59 -16.956 46.451 -0.926 1.00 0.00 N ATOM 0 H ARG A 59 -18.703 40.271 -1.876 1.00 0.00 H new ATOM 0 HA ARG A 59 -18.968 39.197 0.700 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -17.257 40.892 1.336 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -16.849 40.144 -0.195 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -17.579 42.081 -1.438 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -18.314 42.797 -0.017 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -16.020 43.007 1.018 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -15.322 42.380 -0.462 1.00 0.00 H new ATOM 0 HE ARG A 59 -15.512 44.490 -1.384 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -17.914 44.286 1.246 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -18.481 45.939 0.988 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -16.297 46.572 -1.695 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -17.574 47.217 -0.659 1.00 0.00 H new ATOM 937 N ASP A 60 -20.792 41.822 0.267 1.00 0.00 N ATOM 938 CA ASP A 60 -21.806 42.722 0.842 1.00 0.00 C ATOM 939 C ASP A 60 -22.940 41.917 1.524 1.00 0.00 C ATOM 940 O ASP A 60 -23.556 42.392 2.476 1.00 0.00 O ATOM 941 CB ASP A 60 -22.367 43.638 -0.276 1.00 0.00 C ATOM 942 CG ASP A 60 -23.303 44.751 0.241 1.00 0.00 C ATOM 943 OD1 ASP A 60 -22.800 45.774 0.758 1.00 0.00 O ATOM 944 OD2 ASP A 60 -24.536 44.609 0.139 1.00 0.00 O ATOM 0 H ASP A 60 -20.773 41.830 -0.753 1.00 0.00 H new ATOM 0 HA ASP A 60 -21.342 43.340 1.610 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -21.534 44.096 -0.810 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -22.909 43.026 -0.996 1.00 0.00 H new ATOM 949 N SER A 61 -23.200 40.691 1.021 1.00 0.00 N ATOM 950 CA SER A 61 -24.197 39.764 1.600 1.00 0.00 C ATOM 951 C SER A 61 -23.541 38.886 2.692 1.00 0.00 C ATOM 952 O SER A 61 -22.308 38.773 2.765 1.00 0.00 O ATOM 953 CB SER A 61 -24.806 38.876 0.486 1.00 0.00 C ATOM 954 OG SER A 61 -25.820 38.015 0.988 1.00 0.00 O ATOM 0 H SER A 61 -22.724 40.315 0.201 1.00 0.00 H new ATOM 0 HA SER A 61 -24.996 40.347 2.059 1.00 0.00 H new ATOM 0 HB2 SER A 61 -25.223 39.510 -0.296 1.00 0.00 H new ATOM 0 HB3 SER A 61 -24.018 38.279 0.026 1.00 0.00 H new ATOM 0 HG SER A 61 -26.701 38.389 0.777 1.00 0.00 H new ATOM 960 N ASN A 62 -24.388 38.279 3.543 1.00 0.00 N ATOM 961 CA ASN A 62 -23.952 37.347 4.608 1.00 0.00 C ATOM 962 C ASN A 62 -23.782 35.917 4.044 1.00 0.00 C ATOM 963 O ASN A 62 -24.387 35.593 3.011 1.00 0.00 O ATOM 964 CB ASN A 62 -24.990 37.355 5.774 1.00 0.00 C ATOM 965 CG ASN A 62 -24.982 38.647 6.604 1.00 0.00 C ATOM 966 OD1 ASN A 62 -24.720 39.732 6.094 1.00 0.00 O ATOM 967 ND2 ASN A 62 -25.253 38.536 7.892 1.00 0.00 N ATOM 0 H ASN A 62 -25.398 38.419 3.514 1.00 0.00 H new ATOM 0 HA ASN A 62 -22.986 37.677 4.991 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -25.988 37.206 5.361 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -24.789 36.510 6.433 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -25.248 39.364 8.488 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -25.468 37.622 8.291 1.00 0.00 H new ATOM 974 N PRO A 63 -22.971 35.019 4.726 1.00 0.00 N ATOM 975 CA PRO A 63 -22.809 33.596 4.307 1.00 0.00 C ATOM 976 C PRO A 63 -24.140 32.803 4.350 1.00 0.00 C ATOM 977 O PRO A 63 -24.262 31.744 3.727 1.00 0.00 O ATOM 978 CB PRO A 63 -21.770 33.025 5.319 1.00 0.00 C ATOM 979 CG PRO A 63 -21.870 33.935 6.508 1.00 0.00 C ATOM 980 CD PRO A 63 -22.133 35.309 5.935 1.00 0.00 C ATOM 0 HA PRO A 63 -22.483 33.514 3.270 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -22.001 31.994 5.587 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -20.764 33.028 4.900 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -22.675 33.625 7.174 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -20.950 33.922 7.093 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -22.658 35.948 6.645 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -21.207 35.819 5.671 1.00 0.00 H new ATOM 988 N GLU A 64 -25.131 33.348 5.084 1.00 0.00 N ATOM 989 CA GLU A 64 -26.463 32.740 5.243 1.00 0.00 C ATOM 990 C GLU A 64 -27.361 33.005 4.016 1.00 0.00 C ATOM 991 O GLU A 64 -28.360 32.318 3.830 1.00 0.00 O ATOM 992 CB GLU A 64 -27.129 33.283 6.536 1.00 0.00 C ATOM 993 CG GLU A 64 -26.259 33.154 7.807 1.00 0.00 C ATOM 994 CD GLU A 64 -25.841 31.706 8.121 1.00 0.00 C ATOM 995 OE1 GLU A 64 -26.700 30.921 8.580 1.00 0.00 O ATOM 996 OE2 GLU A 64 -24.656 31.347 7.918 1.00 0.00 O ATOM 0 H GLU A 64 -25.026 34.230 5.586 1.00 0.00 H new ATOM 0 HA GLU A 64 -26.340 31.660 5.324 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -27.379 34.333 6.387 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -28.067 32.752 6.697 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -25.364 33.765 7.688 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -26.810 33.557 8.657 1.00 0.00 H new ATOM 1003 N GLU A 65 -26.994 34.008 3.194 1.00 0.00 N ATOM 1004 CA GLU A 65 -27.756 34.401 1.976 1.00 0.00 C ATOM 1005 C GLU A 65 -26.859 34.294 0.714 1.00 0.00 C ATOM 1006 O GLU A 65 -27.343 34.447 -0.414 1.00 0.00 O ATOM 1007 CB GLU A 65 -28.293 35.851 2.145 1.00 0.00 C ATOM 1008 CG GLU A 65 -29.241 36.337 1.016 1.00 0.00 C ATOM 1009 CD GLU A 65 -29.576 37.830 1.082 1.00 0.00 C ATOM 1010 OE1 GLU A 65 -30.674 38.185 1.552 1.00 0.00 O ATOM 1011 OE2 GLU A 65 -28.730 38.661 0.677 1.00 0.00 O ATOM 0 H GLU A 65 -26.160 34.574 3.350 1.00 0.00 H new ATOM 0 HA GLU A 65 -28.599 33.722 1.848 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -28.821 35.918 3.096 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -27.444 36.532 2.204 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -28.781 36.121 0.052 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -30.168 35.765 1.063 1.00 0.00 H new ATOM 1018 N ILE A 66 -25.562 33.969 0.923 1.00 0.00 N ATOM 1019 CA ILE A 66 -24.517 34.076 -0.116 1.00 0.00 C ATOM 1020 C ILE A 66 -24.825 33.229 -1.377 1.00 0.00 C ATOM 1021 O ILE A 66 -25.386 32.125 -1.292 1.00 0.00 O ATOM 1022 CB ILE A 66 -23.096 33.678 0.453 1.00 0.00 C ATOM 1023 CG1 ILE A 66 -21.959 34.110 -0.530 1.00 0.00 C ATOM 1024 CG2 ILE A 66 -23.004 32.160 0.768 1.00 0.00 C ATOM 1025 CD1 ILE A 66 -21.836 35.606 -0.732 1.00 0.00 C ATOM 0 H ILE A 66 -25.213 33.625 1.818 1.00 0.00 H new ATOM 0 HA ILE A 66 -24.508 35.124 -0.416 1.00 0.00 H new ATOM 0 HB ILE A 66 -22.962 34.215 1.392 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -21.009 33.728 -0.157 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -22.134 33.639 -1.497 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -22.012 31.928 1.156 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -23.756 31.897 1.512 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -23.179 31.588 -0.143 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -21.023 35.814 -1.428 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -22.769 35.996 -1.137 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -21.627 36.086 0.224 1.00 0.00 H new ATOM 1037 N GLU A 67 -24.461 33.780 -2.544 1.00 0.00 N ATOM 1038 CA GLU A 67 -24.529 33.075 -3.827 1.00 0.00 C ATOM 1039 C GLU A 67 -23.120 32.744 -4.312 1.00 0.00 C ATOM 1040 O GLU A 67 -22.197 33.560 -4.188 1.00 0.00 O ATOM 1041 CB GLU A 67 -25.266 33.932 -4.886 1.00 0.00 C ATOM 1042 CG GLU A 67 -26.740 34.201 -4.556 1.00 0.00 C ATOM 1043 CD GLU A 67 -27.564 32.913 -4.377 1.00 0.00 C ATOM 1044 OE1 GLU A 67 -27.714 32.154 -5.355 1.00 0.00 O ATOM 1045 OE2 GLU A 67 -28.082 32.656 -3.275 1.00 0.00 O ATOM 0 H GLU A 67 -24.109 34.734 -2.622 1.00 0.00 H new ATOM 0 HA GLU A 67 -25.088 32.150 -3.684 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -24.748 34.885 -4.991 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -25.206 33.429 -5.851 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -26.799 34.793 -3.643 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -27.181 34.800 -5.353 1.00 0.00 H new ATOM 1052 N ILE A 68 -22.973 31.533 -4.854 1.00 0.00 N ATOM 1053 CA ILE A 68 -21.738 31.065 -5.498 1.00 0.00 C ATOM 1054 C ILE A 68 -22.093 30.479 -6.884 1.00 0.00 C ATOM 1055 O ILE A 68 -22.365 29.282 -7.047 1.00 0.00 O ATOM 1056 CB ILE A 68 -20.947 30.027 -4.583 1.00 0.00 C ATOM 1057 CG1 ILE A 68 -21.877 28.864 -4.055 1.00 0.00 C ATOM 1058 CG2 ILE A 68 -20.254 30.755 -3.392 1.00 0.00 C ATOM 1059 CD1 ILE A 68 -21.158 27.789 -3.248 1.00 0.00 C ATOM 0 H ILE A 68 -23.719 30.837 -4.859 1.00 0.00 H new ATOM 0 HA ILE A 68 -21.059 31.907 -5.635 1.00 0.00 H new ATOM 0 HB ILE A 68 -20.181 29.570 -5.210 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -22.663 29.298 -3.437 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -22.366 28.393 -4.908 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -19.720 30.027 -2.781 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -19.549 31.492 -3.777 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -21.007 31.256 -2.784 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -21.876 27.033 -2.928 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -20.391 27.322 -3.866 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -20.693 28.242 -2.372 1.00 0.00 H new ATOM 1071 N ASP A 69 -22.126 31.368 -7.886 1.00 0.00 N ATOM 1072 CA ASP A 69 -22.453 31.019 -9.280 1.00 0.00 C ATOM 1073 C ASP A 69 -21.158 31.015 -10.078 1.00 0.00 C ATOM 1074 O ASP A 69 -20.615 32.072 -10.377 1.00 0.00 O ATOM 1075 CB ASP A 69 -23.468 32.033 -9.871 1.00 0.00 C ATOM 1076 CG ASP A 69 -24.804 32.065 -9.110 1.00 0.00 C ATOM 1077 OD1 ASP A 69 -25.804 31.494 -9.598 1.00 0.00 O ATOM 1078 OD2 ASP A 69 -24.858 32.654 -8.012 1.00 0.00 O ATOM 0 H ASP A 69 -21.925 32.359 -7.753 1.00 0.00 H new ATOM 0 HA ASP A 69 -22.918 30.034 -9.325 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -23.026 33.029 -9.858 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -23.657 31.782 -10.915 1.00 0.00 H new ATOM 1083 N PHE A 70 -20.673 29.824 -10.416 1.00 0.00 N ATOM 1084 CA PHE A 70 -19.327 29.623 -10.999 1.00 0.00 C ATOM 1085 C PHE A 70 -19.229 30.095 -12.462 1.00 0.00 C ATOM 1086 O PHE A 70 -18.133 30.141 -13.032 1.00 0.00 O ATOM 1087 CB PHE A 70 -18.937 28.134 -10.834 1.00 0.00 C ATOM 1088 CG PHE A 70 -18.987 27.705 -9.362 1.00 0.00 C ATOM 1089 CD1 PHE A 70 -17.950 28.033 -8.492 1.00 0.00 C ATOM 1090 CD2 PHE A 70 -20.088 27.013 -8.843 1.00 0.00 C ATOM 1091 CE1 PHE A 70 -18.007 27.688 -7.159 1.00 0.00 C ATOM 1092 CE2 PHE A 70 -20.139 26.662 -7.507 1.00 0.00 C ATOM 1093 CZ PHE A 70 -19.098 26.998 -6.664 1.00 0.00 C ATOM 0 H PHE A 70 -21.198 28.957 -10.297 1.00 0.00 H new ATOM 0 HA PHE A 70 -18.614 30.247 -10.459 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -19.613 27.512 -11.420 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -17.934 27.973 -11.228 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -17.089 28.565 -8.868 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -20.908 26.750 -9.495 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -17.196 27.958 -6.498 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -20.993 26.125 -7.122 1.00 0.00 H new ATOM 0 HZ PHE A 70 -19.136 26.722 -5.620 1.00 0.00 H new ATOM 1103 N GLU A 71 -20.386 30.468 -13.037 1.00 0.00 N ATOM 1104 CA GLU A 71 -20.470 31.075 -14.372 1.00 0.00 C ATOM 1105 C GLU A 71 -20.002 32.546 -14.337 1.00 0.00 C ATOM 1106 O GLU A 71 -19.346 33.020 -15.273 1.00 0.00 O ATOM 1107 CB GLU A 71 -21.925 30.992 -14.895 1.00 0.00 C ATOM 1108 CG GLU A 71 -22.522 29.565 -14.906 1.00 0.00 C ATOM 1109 CD GLU A 71 -23.962 29.522 -15.446 1.00 0.00 C ATOM 1110 OE1 GLU A 71 -24.850 30.154 -14.835 1.00 0.00 O ATOM 1111 OE2 GLU A 71 -24.216 28.853 -16.472 1.00 0.00 O ATOM 0 H GLU A 71 -21.293 30.355 -12.584 1.00 0.00 H new ATOM 0 HA GLU A 71 -19.813 30.524 -15.045 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -22.556 31.632 -14.278 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -21.957 31.394 -15.908 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -21.891 28.918 -15.515 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -22.507 29.163 -13.893 1.00 0.00 H new ATOM 1118 N THR A 72 -20.366 33.266 -13.253 1.00 0.00 N ATOM 1119 CA THR A 72 -19.951 34.672 -13.047 1.00 0.00 C ATOM 1120 C THR A 72 -18.617 34.730 -12.273 1.00 0.00 C ATOM 1121 O THR A 72 -17.840 35.682 -12.439 1.00 0.00 O ATOM 1122 CB THR A 72 -21.054 35.528 -12.316 1.00 0.00 C ATOM 1123 OG1 THR A 72 -20.679 36.919 -12.307 1.00 0.00 O ATOM 1124 CG2 THR A 72 -21.321 35.077 -10.865 1.00 0.00 C ATOM 0 H THR A 72 -20.949 32.894 -12.503 1.00 0.00 H new ATOM 0 HA THR A 72 -19.813 35.113 -14.034 1.00 0.00 H new ATOM 0 HB THR A 72 -21.974 35.376 -12.880 1.00 0.00 H new ATOM 0 HG1 THR A 72 -21.372 37.442 -11.852 1.00 0.00 H new ATOM 0 HG21 THR A 72 -22.091 35.710 -10.423 1.00 0.00 H new ATOM 0 HG22 THR A 72 -21.658 34.040 -10.862 1.00 0.00 H new ATOM 0 HG23 THR A 72 -20.403 35.162 -10.283 1.00 0.00 H new ATOM 1132 N LEU A 73 -18.352 33.697 -11.442 1.00 0.00 N ATOM 1133 CA LEU A 73 -17.098 33.583 -10.677 1.00 0.00 C ATOM 1134 C LEU A 73 -15.930 33.260 -11.610 1.00 0.00 C ATOM 1135 O LEU A 73 -16.084 32.501 -12.572 1.00 0.00 O ATOM 1136 CB LEU A 73 -17.212 32.505 -9.561 1.00 0.00 C ATOM 1137 CG LEU A 73 -18.188 32.841 -8.385 1.00 0.00 C ATOM 1138 CD1 LEU A 73 -18.272 31.682 -7.355 1.00 0.00 C ATOM 1139 CD2 LEU A 73 -17.791 34.172 -7.704 1.00 0.00 C ATOM 0 H LEU A 73 -19.000 32.925 -11.286 1.00 0.00 H new ATOM 0 HA LEU A 73 -16.911 34.544 -10.198 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -17.533 31.569 -10.018 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -16.219 32.333 -9.146 1.00 0.00 H new ATOM 0 HG LEU A 73 -19.185 32.962 -8.810 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -18.960 31.955 -6.555 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -18.632 30.780 -7.850 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -17.283 31.496 -6.936 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -18.484 34.385 -6.890 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -16.779 34.090 -7.308 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -17.830 34.980 -8.434 1.00 0.00 H new ATOM 1151 N LYS A 74 -14.774 33.847 -11.293 1.00 0.00 N ATOM 1152 CA LYS A 74 -13.547 33.734 -12.091 1.00 0.00 C ATOM 1153 C LYS A 74 -12.847 32.386 -11.823 1.00 0.00 C ATOM 1154 O LYS A 74 -12.950 31.869 -10.710 1.00 0.00 O ATOM 1155 CB LYS A 74 -12.632 34.938 -11.752 1.00 0.00 C ATOM 1156 CG LYS A 74 -13.280 36.291 -12.128 1.00 0.00 C ATOM 1157 CD LYS A 74 -12.548 37.507 -11.540 1.00 0.00 C ATOM 1158 CE LYS A 74 -13.249 38.835 -11.887 1.00 0.00 C ATOM 1159 NZ LYS A 74 -12.789 39.941 -11.014 1.00 0.00 N ATOM 0 H LYS A 74 -14.660 34.425 -10.460 1.00 0.00 H new ATOM 0 HA LYS A 74 -13.784 33.757 -13.155 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -12.405 34.930 -10.686 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -11.685 34.832 -12.281 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -13.306 36.383 -13.214 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -14.314 36.298 -11.783 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -12.487 37.403 -10.457 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -11.525 37.529 -11.916 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -13.054 39.088 -12.929 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -14.328 38.715 -11.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -13.330 40.802 -11.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -12.936 39.681 -10.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -11.778 40.117 -11.180 1.00 0.00 H new ATOM 1173 N PRO A 75 -12.134 31.787 -12.842 1.00 0.00 N ATOM 1174 CA PRO A 75 -11.428 30.476 -12.697 1.00 0.00 C ATOM 1175 C PRO A 75 -10.462 30.403 -11.495 1.00 0.00 C ATOM 1176 O PRO A 75 -10.187 29.313 -10.998 1.00 0.00 O ATOM 1177 CB PRO A 75 -10.666 30.318 -14.041 1.00 0.00 C ATOM 1178 CG PRO A 75 -10.693 31.680 -14.679 1.00 0.00 C ATOM 1179 CD PRO A 75 -11.980 32.313 -14.226 1.00 0.00 C ATOM 0 HA PRO A 75 -12.138 29.674 -12.495 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -9.642 29.982 -13.875 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -11.145 29.576 -14.679 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -9.833 32.275 -14.370 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -10.654 31.605 -15.766 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -11.923 33.401 -14.242 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -12.817 32.028 -14.863 1.00 0.00 H new ATOM 1187 N SER A 76 -9.948 31.575 -11.062 1.00 0.00 N ATOM 1188 CA SER A 76 -9.128 31.708 -9.842 1.00 0.00 C ATOM 1189 C SER A 76 -9.932 31.270 -8.603 1.00 0.00 C ATOM 1190 O SER A 76 -9.458 30.464 -7.800 1.00 0.00 O ATOM 1191 CB SER A 76 -8.650 33.170 -9.692 1.00 0.00 C ATOM 1192 OG SER A 76 -9.749 34.072 -9.753 1.00 0.00 O ATOM 0 H SER A 76 -10.092 32.458 -11.552 1.00 0.00 H new ATOM 0 HA SER A 76 -8.256 31.059 -9.927 1.00 0.00 H new ATOM 0 HB2 SER A 76 -8.128 33.291 -8.743 1.00 0.00 H new ATOM 0 HB3 SER A 76 -7.936 33.406 -10.481 1.00 0.00 H new ATOM 0 HG SER A 76 -9.424 34.991 -9.654 1.00 0.00 H new ATOM 1198 N THR A 77 -11.173 31.784 -8.508 1.00 0.00 N ATOM 1199 CA THR A 77 -12.124 31.449 -7.440 1.00 0.00 C ATOM 1200 C THR A 77 -12.470 29.943 -7.458 1.00 0.00 C ATOM 1201 O THR A 77 -12.494 29.308 -6.407 1.00 0.00 O ATOM 1202 CB THR A 77 -13.428 32.304 -7.586 1.00 0.00 C ATOM 1203 OG1 THR A 77 -13.100 33.706 -7.550 1.00 0.00 O ATOM 1204 CG2 THR A 77 -14.467 31.999 -6.495 1.00 0.00 C ATOM 0 H THR A 77 -11.545 32.453 -9.182 1.00 0.00 H new ATOM 0 HA THR A 77 -11.654 31.679 -6.484 1.00 0.00 H new ATOM 0 HB THR A 77 -13.873 32.039 -8.545 1.00 0.00 H new ATOM 0 HG1 THR A 77 -13.919 34.236 -7.643 1.00 0.00 H new ATOM 0 HG21 THR A 77 -15.349 32.621 -6.648 1.00 0.00 H new ATOM 0 HG22 THR A 77 -14.751 30.948 -6.547 1.00 0.00 H new ATOM 0 HG23 THR A 77 -14.039 32.211 -5.515 1.00 0.00 H new ATOM 1212 N LEU A 78 -12.717 29.392 -8.667 1.00 0.00 N ATOM 1213 CA LEU A 78 -13.042 27.954 -8.855 1.00 0.00 C ATOM 1214 C LEU A 78 -11.873 27.048 -8.408 1.00 0.00 C ATOM 1215 O LEU A 78 -12.087 25.991 -7.795 1.00 0.00 O ATOM 1216 CB LEU A 78 -13.413 27.653 -10.348 1.00 0.00 C ATOM 1217 CG LEU A 78 -14.872 28.026 -10.812 1.00 0.00 C ATOM 1218 CD1 LEU A 78 -15.146 29.545 -10.771 1.00 0.00 C ATOM 1219 CD2 LEU A 78 -15.178 27.438 -12.216 1.00 0.00 C ATOM 0 H LEU A 78 -12.698 29.924 -9.537 1.00 0.00 H new ATOM 0 HA LEU A 78 -13.905 27.733 -8.228 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -12.708 28.186 -10.986 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -13.263 26.588 -10.526 1.00 0.00 H new ATOM 0 HG LEU A 78 -15.553 27.571 -10.092 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -16.166 29.740 -11.101 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -15.019 29.910 -9.752 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -14.447 30.059 -11.431 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -16.191 27.711 -12.512 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -14.469 27.838 -12.940 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -15.089 26.352 -12.183 1.00 0.00 H new ATOM 1231 N ARG A 79 -10.644 27.500 -8.708 1.00 0.00 N ATOM 1232 CA ARG A 79 -9.405 26.729 -8.476 1.00 0.00 C ATOM 1233 C ARG A 79 -9.075 26.660 -6.982 1.00 0.00 C ATOM 1234 O ARG A 79 -8.674 25.606 -6.467 1.00 0.00 O ATOM 1235 CB ARG A 79 -8.243 27.378 -9.275 1.00 0.00 C ATOM 1236 CG ARG A 79 -6.937 26.548 -9.342 1.00 0.00 C ATOM 1237 CD ARG A 79 -5.886 27.202 -10.256 1.00 0.00 C ATOM 1238 NE ARG A 79 -4.684 26.363 -10.433 1.00 0.00 N ATOM 1239 CZ ARG A 79 -3.442 26.824 -10.671 1.00 0.00 C ATOM 1240 NH1 ARG A 79 -3.192 28.123 -10.713 1.00 0.00 N ATOM 1241 NH2 ARG A 79 -2.453 25.974 -10.878 1.00 0.00 N ATOM 0 H ARG A 79 -10.478 28.417 -9.122 1.00 0.00 H new ATOM 0 HA ARG A 79 -9.548 25.706 -8.823 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -8.586 27.567 -10.292 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -8.015 28.347 -8.830 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -6.526 26.437 -8.339 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -7.162 25.546 -9.707 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -6.332 27.401 -11.231 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -5.594 28.164 -9.836 1.00 0.00 H new ATOM 0 HE ARG A 79 -4.805 25.352 -10.370 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -3.947 28.793 -10.564 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -2.245 28.454 -10.895 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -2.631 24.970 -10.857 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -1.511 26.322 -11.059 1.00 0.00 H new ATOM 1255 N GLU A 80 -9.253 27.802 -6.300 1.00 0.00 N ATOM 1256 CA GLU A 80 -9.018 27.918 -4.855 1.00 0.00 C ATOM 1257 C GLU A 80 -10.106 27.182 -4.068 1.00 0.00 C ATOM 1258 O GLU A 80 -9.799 26.538 -3.061 1.00 0.00 O ATOM 1259 CB GLU A 80 -8.989 29.399 -4.423 1.00 0.00 C ATOM 1260 CG GLU A 80 -7.842 30.229 -5.043 1.00 0.00 C ATOM 1261 CD GLU A 80 -7.829 31.688 -4.565 1.00 0.00 C ATOM 1262 OE1 GLU A 80 -6.738 32.231 -4.279 1.00 0.00 O ATOM 1263 OE2 GLU A 80 -8.916 32.296 -4.466 1.00 0.00 O ATOM 0 H GLU A 80 -9.564 28.670 -6.736 1.00 0.00 H new ATOM 0 HA GLU A 80 -8.051 27.464 -4.639 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -9.939 29.860 -4.691 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -8.907 29.445 -3.337 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.889 29.763 -4.795 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.933 30.209 -6.129 1.00 0.00 H new ATOM 1270 N LEU A 81 -11.372 27.298 -4.540 1.00 0.00 N ATOM 1271 CA LEU A 81 -12.547 26.706 -3.871 1.00 0.00 C ATOM 1272 C LEU A 81 -12.392 25.194 -3.780 1.00 0.00 C ATOM 1273 O LEU A 81 -12.424 24.650 -2.686 1.00 0.00 O ATOM 1274 CB LEU A 81 -13.877 27.094 -4.593 1.00 0.00 C ATOM 1275 CG LEU A 81 -15.215 26.483 -3.989 1.00 0.00 C ATOM 1276 CD1 LEU A 81 -16.348 27.526 -3.942 1.00 0.00 C ATOM 1277 CD2 LEU A 81 -15.687 25.211 -4.756 1.00 0.00 C ATOM 0 H LEU A 81 -11.602 27.805 -5.395 1.00 0.00 H new ATOM 0 HA LEU A 81 -12.602 27.112 -2.861 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -13.965 28.180 -4.587 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -13.802 26.786 -5.636 1.00 0.00 H new ATOM 0 HG LEU A 81 -14.976 26.186 -2.968 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -17.245 27.070 -3.523 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -16.043 28.366 -3.318 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -16.558 27.880 -4.951 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -16.604 24.833 -4.304 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -15.874 25.464 -5.800 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -14.913 24.445 -4.701 1.00 0.00 H new ATOM 1289 N GLU A 82 -12.180 24.533 -4.938 1.00 0.00 N ATOM 1290 CA GLU A 82 -12.093 23.061 -5.004 1.00 0.00 C ATOM 1291 C GLU A 82 -10.927 22.531 -4.158 1.00 0.00 C ATOM 1292 O GLU A 82 -11.059 21.518 -3.488 1.00 0.00 O ATOM 1293 CB GLU A 82 -11.976 22.557 -6.463 1.00 0.00 C ATOM 1294 CG GLU A 82 -10.689 22.946 -7.211 1.00 0.00 C ATOM 1295 CD GLU A 82 -10.572 22.238 -8.558 1.00 0.00 C ATOM 1296 OE1 GLU A 82 -10.122 21.070 -8.591 1.00 0.00 O ATOM 1297 OE2 GLU A 82 -10.969 22.815 -9.585 1.00 0.00 O ATOM 0 H GLU A 82 -12.066 24.997 -5.839 1.00 0.00 H new ATOM 0 HA GLU A 82 -13.022 22.670 -4.589 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -12.055 21.470 -6.458 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -12.829 22.936 -7.027 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -10.672 24.025 -7.366 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -9.824 22.699 -6.596 1.00 0.00 H new ATOM 1304 N ARG A 83 -9.802 23.260 -4.183 1.00 0.00 N ATOM 1305 CA ARG A 83 -8.591 22.892 -3.436 1.00 0.00 C ATOM 1306 C ARG A 83 -8.839 22.994 -1.917 1.00 0.00 C ATOM 1307 O ARG A 83 -8.412 22.127 -1.153 1.00 0.00 O ATOM 1308 CB ARG A 83 -7.414 23.802 -3.863 1.00 0.00 C ATOM 1309 CG ARG A 83 -6.059 23.455 -3.211 1.00 0.00 C ATOM 1310 CD ARG A 83 -4.939 24.407 -3.645 1.00 0.00 C ATOM 1311 NE ARG A 83 -3.666 24.062 -3.000 1.00 0.00 N ATOM 1312 CZ ARG A 83 -2.637 24.901 -2.818 1.00 0.00 C ATOM 1313 NH1 ARG A 83 -2.714 26.172 -3.182 1.00 0.00 N ATOM 1314 NH2 ARG A 83 -1.535 24.463 -2.250 1.00 0.00 N ATOM 0 H ARG A 83 -9.706 24.121 -4.721 1.00 0.00 H new ATOM 0 HA ARG A 83 -8.334 21.858 -3.665 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -7.305 23.747 -4.946 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -7.665 24.835 -3.620 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -6.162 23.490 -2.126 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -5.785 22.433 -3.472 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -4.823 24.366 -4.728 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -5.211 25.432 -3.392 1.00 0.00 H new ATOM 0 HE ARG A 83 -3.556 23.106 -2.663 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -3.568 26.529 -3.610 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -1.919 26.794 -3.034 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -1.467 23.490 -1.951 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -0.748 25.096 -2.108 1.00 0.00 H new ATOM 1328 N TYR A 84 -9.567 24.051 -1.519 1.00 0.00 N ATOM 1329 CA TYR A 84 -9.861 24.368 -0.109 1.00 0.00 C ATOM 1330 C TYR A 84 -10.861 23.347 0.480 1.00 0.00 C ATOM 1331 O TYR A 84 -10.692 22.884 1.610 1.00 0.00 O ATOM 1332 CB TYR A 84 -10.427 25.819 -0.014 1.00 0.00 C ATOM 1333 CG TYR A 84 -10.491 26.404 1.407 1.00 0.00 C ATOM 1334 CD1 TYR A 84 -11.687 26.463 2.128 1.00 0.00 C ATOM 1335 CD2 TYR A 84 -9.343 26.913 2.025 1.00 0.00 C ATOM 1336 CE1 TYR A 84 -11.728 26.993 3.401 1.00 0.00 C ATOM 1337 CE2 TYR A 84 -9.389 27.443 3.300 1.00 0.00 C ATOM 1338 CZ TYR A 84 -10.584 27.486 3.981 1.00 0.00 C ATOM 1339 OH TYR A 84 -10.635 28.011 5.253 1.00 0.00 O ATOM 0 H TYR A 84 -9.973 24.718 -2.175 1.00 0.00 H new ATOM 0 HA TYR A 84 -8.942 24.306 0.474 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -9.812 26.473 -0.632 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -11.430 25.829 -0.440 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -12.595 26.087 1.681 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -8.402 26.891 1.495 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -12.662 27.021 3.943 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -8.489 27.823 3.761 1.00 0.00 H new ATOM 0 HH TYR A 84 -9.742 28.315 5.517 1.00 0.00 H new ATOM 1349 N VAL A 85 -11.884 22.999 -0.321 1.00 0.00 N ATOM 1350 CA VAL A 85 -12.944 22.050 0.069 1.00 0.00 C ATOM 1351 C VAL A 85 -12.374 20.627 0.188 1.00 0.00 C ATOM 1352 O VAL A 85 -12.565 19.979 1.210 1.00 0.00 O ATOM 1353 CB VAL A 85 -14.147 22.081 -0.954 1.00 0.00 C ATOM 1354 CG1 VAL A 85 -15.226 21.011 -0.636 1.00 0.00 C ATOM 1355 CG2 VAL A 85 -14.776 23.496 -0.999 1.00 0.00 C ATOM 0 H VAL A 85 -12.000 23.371 -1.264 1.00 0.00 H new ATOM 0 HA VAL A 85 -13.326 22.356 1.043 1.00 0.00 H new ATOM 0 HB VAL A 85 -13.742 21.837 -1.936 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -16.030 21.076 -1.369 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -14.777 20.019 -0.676 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -15.630 21.186 0.361 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -15.604 23.504 -1.708 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -15.144 23.762 -0.008 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -14.023 24.219 -1.313 1.00 0.00 H new ATOM 1365 N LEU A 86 -11.647 20.184 -0.861 1.00 0.00 N ATOM 1366 CA LEU A 86 -10.984 18.861 -0.902 1.00 0.00 C ATOM 1367 C LEU A 86 -9.945 18.732 0.234 1.00 0.00 C ATOM 1368 O LEU A 86 -9.769 17.645 0.775 1.00 0.00 O ATOM 1369 CB LEU A 86 -10.336 18.595 -2.310 1.00 0.00 C ATOM 1370 CG LEU A 86 -11.251 17.939 -3.410 1.00 0.00 C ATOM 1371 CD1 LEU A 86 -11.569 16.474 -3.061 1.00 0.00 C ATOM 1372 CD2 LEU A 86 -12.552 18.745 -3.642 1.00 0.00 C ATOM 0 H LEU A 86 -11.503 20.736 -1.707 1.00 0.00 H new ATOM 0 HA LEU A 86 -11.744 18.096 -0.744 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -9.969 19.545 -2.698 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -9.467 17.953 -2.166 1.00 0.00 H new ATOM 0 HG LEU A 86 -10.690 17.956 -4.344 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -12.202 16.044 -3.837 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -10.641 15.906 -2.994 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -12.089 16.433 -2.104 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -13.152 18.255 -4.409 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -13.120 18.794 -2.713 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -12.301 19.755 -3.967 1.00 0.00 H new ATOM 1384 N SER A 87 -9.292 19.856 0.605 1.00 0.00 N ATOM 1385 CA SER A 87 -8.358 19.902 1.754 1.00 0.00 C ATOM 1386 C SER A 87 -9.113 19.648 3.081 1.00 0.00 C ATOM 1387 O SER A 87 -8.609 18.952 3.968 1.00 0.00 O ATOM 1388 CB SER A 87 -7.615 21.257 1.793 1.00 0.00 C ATOM 1389 OG SER A 87 -6.621 21.300 2.815 1.00 0.00 O ATOM 0 H SER A 87 -9.395 20.749 0.122 1.00 0.00 H new ATOM 0 HA SER A 87 -7.618 19.111 1.630 1.00 0.00 H new ATOM 0 HB2 SER A 87 -7.147 21.440 0.826 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.335 22.059 1.955 1.00 0.00 H new ATOM 0 HG SER A 87 -6.176 22.173 2.802 1.00 0.00 H new ATOM 1395 N CYS A 88 -10.332 20.208 3.187 1.00 0.00 N ATOM 1396 CA CYS A 88 -11.222 20.006 4.354 1.00 0.00 C ATOM 1397 C CYS A 88 -11.872 18.598 4.340 1.00 0.00 C ATOM 1398 O CYS A 88 -12.426 18.157 5.352 1.00 0.00 O ATOM 1399 CB CYS A 88 -12.306 21.109 4.397 1.00 0.00 C ATOM 1400 SG CYS A 88 -11.647 22.788 4.570 1.00 0.00 S ATOM 0 H CYS A 88 -10.731 20.813 2.469 1.00 0.00 H new ATOM 0 HA CYS A 88 -10.613 20.075 5.256 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -12.900 21.056 3.484 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -12.981 20.908 5.229 1.00 0.00 H new ATOM 0 HG CYS A 88 -11.152 23.179 3.433 1.00 0.00 H new ATOM 1406 N LEU A 89 -11.819 17.915 3.181 1.00 0.00 N ATOM 1407 CA LEU A 89 -12.270 16.515 3.047 1.00 0.00 C ATOM 1408 C LEU A 89 -11.158 15.539 3.449 1.00 0.00 C ATOM 1409 O LEU A 89 -11.453 14.417 3.874 1.00 0.00 O ATOM 1410 CB LEU A 89 -12.741 16.217 1.601 1.00 0.00 C ATOM 1411 CG LEU A 89 -13.929 17.086 1.084 1.00 0.00 C ATOM 1412 CD1 LEU A 89 -14.350 16.676 -0.345 1.00 0.00 C ATOM 1413 CD2 LEU A 89 -15.120 17.055 2.075 1.00 0.00 C ATOM 0 H LEU A 89 -11.464 18.316 2.313 1.00 0.00 H new ATOM 0 HA LEU A 89 -13.115 16.377 3.722 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -11.895 16.354 0.928 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -13.030 15.168 1.541 1.00 0.00 H new ATOM 0 HG LEU A 89 -13.586 18.119 1.028 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -15.180 17.302 -0.673 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -13.507 16.805 -1.024 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -14.661 15.631 -0.347 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -15.932 17.670 1.687 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -15.467 16.029 2.195 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -14.800 17.445 3.041 1.00 0.00 H new ATOM 1425 N ARG A 90 -9.879 15.964 3.288 1.00 0.00 N ATOM 1426 CA ARG A 90 -8.714 15.152 3.695 1.00 0.00 C ATOM 1427 C ARG A 90 -8.775 14.923 5.211 1.00 0.00 C ATOM 1428 O ARG A 90 -8.630 15.878 5.975 1.00 0.00 O ATOM 1429 CB ARG A 90 -7.363 15.826 3.317 1.00 0.00 C ATOM 1430 CG ARG A 90 -7.167 16.200 1.822 1.00 0.00 C ATOM 1431 CD ARG A 90 -7.348 15.028 0.833 1.00 0.00 C ATOM 1432 NE ARG A 90 -8.772 14.755 0.513 1.00 0.00 N ATOM 1433 CZ ARG A 90 -9.227 14.329 -0.673 1.00 0.00 C ATOM 1434 NH1 ARG A 90 -8.404 14.117 -1.691 1.00 0.00 N ATOM 1435 NH2 ARG A 90 -10.520 14.117 -0.833 1.00 0.00 N ATOM 0 H ARG A 90 -9.633 16.865 2.879 1.00 0.00 H new ATOM 0 HA ARG A 90 -8.759 14.203 3.160 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -7.257 16.733 3.912 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -6.554 15.156 3.610 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -7.874 16.988 1.563 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -6.167 16.614 1.694 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -6.810 15.251 -0.089 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -6.897 14.130 1.256 1.00 0.00 H new ATOM 0 HE ARG A 90 -9.457 14.903 1.254 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -7.403 14.278 -1.580 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -8.772 13.793 -2.585 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -11.163 14.278 -0.058 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -10.876 13.793 -1.732 1.00 0.00 H new ATOM 1724 N THR A 106 -1.860 14.504 38.113 1.00 0.00 N ATOM 1725 CA THR A 106 -1.003 13.393 38.563 1.00 0.00 C ATOM 1726 C THR A 106 -1.431 12.874 39.951 1.00 0.00 C ATOM 1727 O THR A 106 -2.216 13.518 40.672 1.00 0.00 O ATOM 1728 CB THR A 106 0.502 13.848 38.631 1.00 0.00 C ATOM 1729 OG1 THR A 106 0.630 14.991 39.495 1.00 0.00 O ATOM 1730 CG2 THR A 106 1.080 14.190 37.245 1.00 0.00 C ATOM 0 HA THR A 106 -1.114 12.588 37.837 1.00 0.00 H new ATOM 0 HB THR A 106 1.071 13.007 39.027 1.00 0.00 H new ATOM 0 HG1 THR A 106 1.532 15.365 39.411 1.00 0.00 H new ATOM 0 HG21 THR A 106 2.120 14.498 37.350 1.00 0.00 H new ATOM 0 HG22 THR A 106 1.025 13.312 36.601 1.00 0.00 H new ATOM 0 HG23 THR A 106 0.505 15.002 36.801 1.00 0.00 H new ATOM 1738 N LYS A 107 -0.897 11.694 40.305 1.00 0.00 N ATOM 1739 CA LYS A 107 -0.972 11.142 41.666 1.00 0.00 C ATOM 1740 C LYS A 107 -0.186 12.048 42.638 1.00 0.00 C ATOM 1741 O LYS A 107 -0.590 12.231 43.784 1.00 0.00 O ATOM 1742 CB LYS A 107 -0.384 9.706 41.674 1.00 0.00 C ATOM 1743 CG LYS A 107 -0.411 9.012 43.055 1.00 0.00 C ATOM 1744 CD LYS A 107 0.338 7.657 43.067 1.00 0.00 C ATOM 1745 CE LYS A 107 0.340 7.002 44.458 1.00 0.00 C ATOM 1746 NZ LYS A 107 0.958 7.879 45.488 1.00 0.00 N ATOM 0 H LYS A 107 -0.398 11.093 39.650 1.00 0.00 H new ATOM 0 HA LYS A 107 -2.013 11.101 41.988 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -0.940 9.095 40.963 1.00 0.00 H new ATOM 0 HB3 LYS A 107 0.647 9.747 41.322 1.00 0.00 H new ATOM 0 HG2 LYS A 107 0.036 9.674 43.797 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -1.447 8.851 43.354 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -0.128 6.981 42.350 1.00 0.00 H new ATOM 0 HD3 LYS A 107 1.366 7.810 42.739 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -0.684 6.767 44.749 1.00 0.00 H new ATOM 0 HE3 LYS A 107 0.883 6.058 44.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 1.124 7.331 46.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 1.863 8.247 45.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 0.319 8.673 45.697 1.00 0.00 H new ATOM 1760 N GLU A 108 0.933 12.608 42.120 1.00 0.00 N ATOM 1761 CA GLU A 108 1.819 13.543 42.837 1.00 0.00 C ATOM 1762 C GLU A 108 1.074 14.835 43.238 1.00 0.00 C ATOM 1763 O GLU A 108 1.402 15.433 44.249 1.00 0.00 O ATOM 1764 CB GLU A 108 3.041 13.884 41.944 1.00 0.00 C ATOM 1765 CG GLU A 108 4.078 14.835 42.586 1.00 0.00 C ATOM 1766 CD GLU A 108 5.230 15.179 41.637 1.00 0.00 C ATOM 1767 OE1 GLU A 108 6.280 14.500 41.686 1.00 0.00 O ATOM 1768 OE2 GLU A 108 5.084 16.113 40.819 1.00 0.00 O ATOM 0 H GLU A 108 1.248 12.415 41.169 1.00 0.00 H new ATOM 0 HA GLU A 108 2.157 13.060 43.754 1.00 0.00 H new ATOM 0 HB2 GLU A 108 3.543 12.955 41.671 1.00 0.00 H new ATOM 0 HB3 GLU A 108 2.681 14.335 41.019 1.00 0.00 H new ATOM 0 HG2 GLU A 108 3.580 15.754 42.895 1.00 0.00 H new ATOM 0 HG3 GLU A 108 4.481 14.372 43.487 1.00 0.00 H new ATOM 1775 N GLU A 109 0.086 15.249 42.421 1.00 0.00 N ATOM 1776 CA GLU A 109 -0.750 16.443 42.685 1.00 0.00 C ATOM 1777 C GLU A 109 -1.640 16.187 43.918 1.00 0.00 C ATOM 1778 O GLU A 109 -1.677 16.995 44.866 1.00 0.00 O ATOM 1779 CB GLU A 109 -1.587 16.775 41.408 1.00 0.00 C ATOM 1780 CG GLU A 109 -2.314 18.149 41.387 1.00 0.00 C ATOM 1781 CD GLU A 109 -3.617 18.208 42.217 1.00 0.00 C ATOM 1782 OE1 GLU A 109 -3.650 18.884 43.265 1.00 0.00 O ATOM 1783 OE2 GLU A 109 -4.618 17.583 41.814 1.00 0.00 O ATOM 0 H GLU A 109 -0.158 14.766 41.557 1.00 0.00 H new ATOM 0 HA GLU A 109 -0.125 17.308 42.908 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -0.923 16.728 40.545 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -2.335 15.993 41.278 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -1.629 18.912 41.758 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -2.547 18.405 40.353 1.00 0.00 H new ATOM 1790 N LEU A 110 -2.316 15.031 43.915 1.00 0.00 N ATOM 1791 CA LEU A 110 -3.153 14.585 45.047 1.00 0.00 C ATOM 1792 C LEU A 110 -2.286 14.339 46.303 1.00 0.00 C ATOM 1793 O LEU A 110 -2.725 14.553 47.434 1.00 0.00 O ATOM 1794 CB LEU A 110 -3.938 13.307 44.656 1.00 0.00 C ATOM 1795 CG LEU A 110 -4.840 13.434 43.380 1.00 0.00 C ATOM 1796 CD1 LEU A 110 -5.546 12.094 43.050 1.00 0.00 C ATOM 1797 CD2 LEU A 110 -5.867 14.595 43.524 1.00 0.00 C ATOM 0 H LEU A 110 -2.301 14.377 43.132 1.00 0.00 H new ATOM 0 HA LEU A 110 -3.869 15.371 45.285 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -3.225 12.498 44.497 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -4.567 13.016 45.497 1.00 0.00 H new ATOM 0 HG LEU A 110 -4.187 13.675 42.541 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -6.163 12.217 42.160 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -4.797 11.323 42.868 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -6.175 11.798 43.889 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -6.476 14.656 42.622 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -6.510 14.408 44.384 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -5.335 15.536 43.666 1.00 0.00 H new ATOM 1809 N ALA A 111 -1.033 13.907 46.062 1.00 0.00 N ATOM 1810 CA ALA A 111 -0.024 13.679 47.106 1.00 0.00 C ATOM 1811 C ALA A 111 0.604 14.997 47.573 1.00 0.00 C ATOM 1812 O ALA A 111 1.170 15.035 48.652 1.00 0.00 O ATOM 1813 CB ALA A 111 1.067 12.718 46.612 1.00 0.00 C ATOM 0 H ALA A 111 -0.692 13.705 45.122 1.00 0.00 H new ATOM 0 HA ALA A 111 -0.531 13.224 47.957 1.00 0.00 H new ATOM 0 HB1 ALA A 111 1.802 12.565 47.402 1.00 0.00 H new ATOM 0 HB2 ALA A 111 0.616 11.762 46.346 1.00 0.00 H new ATOM 0 HB3 ALA A 111 1.558 13.144 45.737 1.00 0.00 H new ATOM 1819 N LEU A 112 0.513 16.057 46.735 1.00 0.00 N ATOM 1820 CA LEU A 112 1.028 17.407 47.061 1.00 0.00 C ATOM 1821 C LEU A 112 0.133 18.070 48.122 1.00 0.00 C ATOM 1822 O LEU A 112 0.596 18.889 48.925 1.00 0.00 O ATOM 1823 CB LEU A 112 1.142 18.286 45.789 1.00 0.00 C ATOM 1824 CG LEU A 112 1.826 19.681 45.972 1.00 0.00 C ATOM 1825 CD1 LEU A 112 3.295 19.542 46.457 1.00 0.00 C ATOM 1826 CD2 LEU A 112 1.738 20.525 44.674 1.00 0.00 C ATOM 0 H LEU A 112 0.080 15.999 45.813 1.00 0.00 H new ATOM 0 HA LEU A 112 2.032 17.305 47.473 1.00 0.00 H new ATOM 0 HB2 LEU A 112 1.698 17.728 45.036 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.140 18.445 45.392 1.00 0.00 H new ATOM 0 HG LEU A 112 1.278 20.211 46.751 1.00 0.00 H new ATOM 0 HD11 LEU A 112 3.735 20.532 46.572 1.00 0.00 H new ATOM 0 HD12 LEU A 112 3.314 19.023 47.415 1.00 0.00 H new ATOM 0 HD13 LEU A 112 3.868 18.973 45.725 1.00 0.00 H new ATOM 0 HD21 LEU A 112 2.222 21.489 44.833 1.00 0.00 H new ATOM 0 HD22 LEU A 112 2.238 19.997 43.862 1.00 0.00 H new ATOM 0 HD23 LEU A 112 0.692 20.683 44.413 1.00 0.00 H new ATOM 1838 N GLU A 113 -1.154 17.690 48.111 1.00 0.00 N ATOM 1839 CA GLU A 113 -2.095 18.028 49.202 1.00 0.00 C ATOM 1840 C GLU A 113 -1.630 17.398 50.535 1.00 0.00 C ATOM 1841 O GLU A 113 -1.659 18.043 51.591 1.00 0.00 O ATOM 1842 CB GLU A 113 -3.503 17.513 48.859 1.00 0.00 C ATOM 1843 CG GLU A 113 -4.078 18.056 47.544 1.00 0.00 C ATOM 1844 CD GLU A 113 -5.470 17.498 47.247 1.00 0.00 C ATOM 1845 OE1 GLU A 113 -6.462 18.025 47.801 1.00 0.00 O ATOM 1846 OE2 GLU A 113 -5.585 16.530 46.466 1.00 0.00 O ATOM 0 H GLU A 113 -1.573 17.146 47.357 1.00 0.00 H new ATOM 0 HA GLU A 113 -2.119 19.112 49.311 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -3.475 16.425 48.806 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -4.180 17.775 49.672 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -4.128 19.144 47.593 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -3.405 17.804 46.724 1.00 0.00 H new ATOM 1853 N LYS A 114 -1.206 16.120 50.460 1.00 0.00 N ATOM 1854 CA LYS A 114 -0.691 15.370 51.622 1.00 0.00 C ATOM 1855 C LYS A 114 0.746 15.815 51.971 1.00 0.00 C ATOM 1856 O LYS A 114 1.189 15.640 53.099 1.00 0.00 O ATOM 1857 CB LYS A 114 -0.760 13.842 51.343 1.00 0.00 C ATOM 1858 CG LYS A 114 -0.293 12.960 52.529 1.00 0.00 C ATOM 1859 CD LYS A 114 -0.602 11.457 52.345 1.00 0.00 C ATOM 1860 CE LYS A 114 -0.161 10.626 53.566 1.00 0.00 C ATOM 1861 NZ LYS A 114 -0.530 9.197 53.445 1.00 0.00 N ATOM 0 H LYS A 114 -1.211 15.581 49.594 1.00 0.00 H new ATOM 0 HA LYS A 114 -1.318 15.588 52.487 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -1.786 13.576 51.088 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -0.146 13.615 50.471 1.00 0.00 H new ATOM 0 HG2 LYS A 114 0.781 13.087 52.664 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -0.773 13.311 53.443 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -1.671 11.324 52.182 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -0.095 11.089 51.453 1.00 0.00 H new ATOM 0 HE2 LYS A 114 0.919 10.710 53.687 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -0.616 11.040 54.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -0.211 8.683 54.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -1.563 9.111 53.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -0.076 8.791 52.602 1.00 0.00 H new ATOM 1875 N LYS A 115 1.440 16.411 50.981 1.00 0.00 N ATOM 1876 CA LYS A 115 2.808 16.947 51.128 1.00 0.00 C ATOM 1877 C LYS A 115 2.757 18.228 51.984 1.00 0.00 C ATOM 1878 O LYS A 115 3.663 18.499 52.767 1.00 0.00 O ATOM 1879 CB LYS A 115 3.446 17.218 49.713 1.00 0.00 C ATOM 1880 CG LYS A 115 4.869 16.664 49.485 1.00 0.00 C ATOM 1881 CD LYS A 115 5.940 17.349 50.354 1.00 0.00 C ATOM 1882 CE LYS A 115 7.355 16.827 50.051 1.00 0.00 C ATOM 1883 NZ LYS A 115 8.377 17.460 50.911 1.00 0.00 N ATOM 0 H LYS A 115 1.060 16.535 50.043 1.00 0.00 H new ATOM 0 HA LYS A 115 3.441 16.217 51.633 1.00 0.00 H new ATOM 0 HB2 LYS A 115 2.788 16.793 48.955 1.00 0.00 H new ATOM 0 HB3 LYS A 115 3.468 18.295 49.549 1.00 0.00 H new ATOM 0 HG2 LYS A 115 4.872 15.594 49.694 1.00 0.00 H new ATOM 0 HG3 LYS A 115 5.133 16.784 48.434 1.00 0.00 H new ATOM 0 HD2 LYS A 115 5.908 18.425 50.186 1.00 0.00 H new ATOM 0 HD3 LYS A 115 5.711 17.184 51.407 1.00 0.00 H new ATOM 0 HE2 LYS A 115 7.381 15.747 50.193 1.00 0.00 H new ATOM 0 HE3 LYS A 115 7.594 17.016 49.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 9.288 16.975 50.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 8.479 18.462 50.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 8.085 17.390 51.907 1.00 0.00 H new ATOM 1897 N ARG A 116 1.657 18.988 51.818 1.00 0.00 N ATOM 1898 CA ARG A 116 1.318 20.167 52.637 1.00 0.00 C ATOM 1899 C ARG A 116 1.223 19.751 54.122 1.00 0.00 C ATOM 1900 O ARG A 116 1.754 20.434 55.011 1.00 0.00 O ATOM 1901 CB ARG A 116 -0.015 20.782 52.089 1.00 0.00 C ATOM 1902 CG ARG A 116 -0.576 22.061 52.788 1.00 0.00 C ATOM 1903 CD ARG A 116 -1.374 21.773 54.080 1.00 0.00 C ATOM 1904 NE ARG A 116 -2.003 22.985 54.626 1.00 0.00 N ATOM 1905 CZ ARG A 116 -1.480 23.783 55.581 1.00 0.00 C ATOM 1906 NH1 ARG A 116 -0.255 23.570 56.067 1.00 0.00 N ATOM 1907 NH2 ARG A 116 -2.187 24.812 56.028 1.00 0.00 N ATOM 0 H ARG A 116 0.964 18.795 51.095 1.00 0.00 H new ATOM 0 HA ARG A 116 2.091 20.933 52.573 1.00 0.00 H new ATOM 0 HB2 ARG A 116 0.134 21.016 51.035 1.00 0.00 H new ATOM 0 HB3 ARG A 116 -0.783 20.011 52.138 1.00 0.00 H new ATOM 0 HG2 ARG A 116 0.254 22.726 53.027 1.00 0.00 H new ATOM 0 HG3 ARG A 116 -1.219 22.593 52.087 1.00 0.00 H new ATOM 0 HD2 ARG A 116 -2.143 21.029 53.872 1.00 0.00 H new ATOM 0 HD3 ARG A 116 -0.708 21.343 54.828 1.00 0.00 H new ATOM 0 HE ARG A 116 -2.915 23.246 54.250 1.00 0.00 H new ATOM 0 HH11 ARG A 116 0.304 22.792 55.717 1.00 0.00 H new ATOM 0 HH12 ARG A 116 0.121 24.185 56.788 1.00 0.00 H new ATOM 0 HH21 ARG A 116 -3.117 24.994 55.650 1.00 0.00 H new ATOM 0 HH22 ARG A 116 -1.801 25.421 56.749 1.00 0.00 H new ATOM 1921 N GLU A 117 0.542 18.612 54.364 1.00 0.00 N ATOM 1922 CA GLU A 117 0.396 18.036 55.713 1.00 0.00 C ATOM 1923 C GLU A 117 1.712 17.381 56.181 1.00 0.00 C ATOM 1924 O GLU A 117 1.999 17.357 57.373 1.00 0.00 O ATOM 1925 CB GLU A 117 -0.745 16.990 55.722 1.00 0.00 C ATOM 1926 CG GLU A 117 -1.046 16.386 57.115 1.00 0.00 C ATOM 1927 CD GLU A 117 -2.088 15.265 57.075 1.00 0.00 C ATOM 1928 OE1 GLU A 117 -3.304 15.562 57.119 1.00 0.00 O ATOM 1929 OE2 GLU A 117 -1.697 14.073 56.995 1.00 0.00 O ATOM 0 H GLU A 117 0.081 18.070 53.633 1.00 0.00 H new ATOM 0 HA GLU A 117 0.151 18.844 56.403 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -1.652 17.456 55.338 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -0.487 16.182 55.037 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -0.122 15.999 57.543 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -1.398 17.176 57.778 1.00 0.00 H new ATOM 1936 N LEU A 118 2.496 16.870 55.216 1.00 0.00 N ATOM 1937 CA LEU A 118 3.753 16.141 55.473 1.00 0.00 C ATOM 1938 C LEU A 118 4.788 17.065 56.139 1.00 0.00 C ATOM 1939 O LEU A 118 5.458 16.667 57.090 1.00 0.00 O ATOM 1940 CB LEU A 118 4.312 15.561 54.147 1.00 0.00 C ATOM 1941 CG LEU A 118 5.547 14.612 54.254 1.00 0.00 C ATOM 1942 CD1 LEU A 118 5.192 13.321 55.030 1.00 0.00 C ATOM 1943 CD2 LEU A 118 6.114 14.283 52.853 1.00 0.00 C ATOM 0 H LEU A 118 2.273 16.952 54.224 1.00 0.00 H new ATOM 0 HA LEU A 118 3.546 15.316 56.155 1.00 0.00 H new ATOM 0 HB2 LEU A 118 3.509 15.017 53.650 1.00 0.00 H new ATOM 0 HB3 LEU A 118 4.581 16.395 53.499 1.00 0.00 H new ATOM 0 HG LEU A 118 6.323 15.133 54.815 1.00 0.00 H new ATOM 0 HD11 LEU A 118 6.071 12.679 55.089 1.00 0.00 H new ATOM 0 HD12 LEU A 118 4.864 13.580 56.037 1.00 0.00 H new ATOM 0 HD13 LEU A 118 4.391 12.793 54.512 1.00 0.00 H new ATOM 0 HD21 LEU A 118 6.974 13.621 52.955 1.00 0.00 H new ATOM 0 HD22 LEU A 118 5.346 13.792 52.256 1.00 0.00 H new ATOM 0 HD23 LEU A 118 6.423 15.205 52.360 1.00 0.00 H new ATOM 1955 N GLU A 119 4.877 18.314 55.628 1.00 0.00 N ATOM 1956 CA GLU A 119 5.780 19.350 56.167 1.00 0.00 C ATOM 1957 C GLU A 119 5.314 19.804 57.560 1.00 0.00 C ATOM 1958 O GLU A 119 6.133 20.182 58.400 1.00 0.00 O ATOM 1959 CB GLU A 119 5.865 20.572 55.205 1.00 0.00 C ATOM 1960 CG GLU A 119 6.134 20.227 53.721 1.00 0.00 C ATOM 1961 CD GLU A 119 7.328 19.279 53.485 1.00 0.00 C ATOM 1962 OE1 GLU A 119 8.460 19.762 53.279 1.00 0.00 O ATOM 1963 OE2 GLU A 119 7.135 18.043 53.478 1.00 0.00 O ATOM 0 H GLU A 119 4.324 18.629 54.831 1.00 0.00 H new ATOM 0 HA GLU A 119 6.775 18.913 56.256 1.00 0.00 H new ATOM 0 HB2 GLU A 119 4.930 21.129 55.268 1.00 0.00 H new ATOM 0 HB3 GLU A 119 6.655 21.236 55.556 1.00 0.00 H new ATOM 0 HG2 GLU A 119 5.238 19.772 53.300 1.00 0.00 H new ATOM 0 HG3 GLU A 119 6.309 21.153 53.173 1.00 0.00 H new ATOM 1970 N LYS A 120 3.982 19.764 57.777 1.00 0.00 N ATOM 1971 CA LYS A 120 3.346 20.163 59.049 1.00 0.00 C ATOM 1972 C LYS A 120 3.709 19.178 60.179 1.00 0.00 C ATOM 1973 O LYS A 120 4.197 19.590 61.228 1.00 0.00 O ATOM 1974 CB LYS A 120 1.798 20.248 58.858 1.00 0.00 C ATOM 1975 CG LYS A 120 0.955 20.638 60.105 1.00 0.00 C ATOM 1976 CD LYS A 120 1.257 22.076 60.655 1.00 0.00 C ATOM 1977 CE LYS A 120 2.115 22.083 61.935 1.00 0.00 C ATOM 1978 NZ LYS A 120 1.457 21.350 63.038 1.00 0.00 N ATOM 0 H LYS A 120 3.315 19.452 57.071 1.00 0.00 H new ATOM 0 HA LYS A 120 3.720 21.145 59.337 1.00 0.00 H new ATOM 0 HB2 LYS A 120 1.593 20.973 58.070 1.00 0.00 H new ATOM 0 HB3 LYS A 120 1.447 19.280 58.500 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -0.103 20.572 59.851 1.00 0.00 H new ATOM 0 HG3 LYS A 120 1.138 19.911 60.897 1.00 0.00 H new ATOM 0 HD2 LYS A 120 1.768 22.651 59.883 1.00 0.00 H new ATOM 0 HD3 LYS A 120 0.314 22.583 60.858 1.00 0.00 H new ATOM 0 HE2 LYS A 120 3.085 21.632 61.726 1.00 0.00 H new ATOM 0 HE3 LYS A 120 2.302 23.112 62.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 1.819 21.696 63.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 0.429 21.504 62.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 1.659 20.334 62.948 1.00 0.00 H new ATOM 1992 N ARG A 121 3.482 17.876 59.934 1.00 0.00 N ATOM 1993 CA ARG A 121 3.783 16.794 60.913 1.00 0.00 C ATOM 1994 C ARG A 121 5.307 16.592 61.071 1.00 0.00 C ATOM 1995 O ARG A 121 5.766 16.100 62.106 1.00 0.00 O ATOM 1996 CB ARG A 121 3.065 15.475 60.516 1.00 0.00 C ATOM 1997 CG ARG A 121 3.384 14.981 59.097 1.00 0.00 C ATOM 1998 CD ARG A 121 2.672 13.670 58.730 1.00 0.00 C ATOM 1999 NE ARG A 121 3.158 12.540 59.537 1.00 0.00 N ATOM 2000 CZ ARG A 121 2.999 11.245 59.242 1.00 0.00 C ATOM 2001 NH1 ARG A 121 2.326 10.865 58.160 1.00 0.00 N ATOM 2002 NH2 ARG A 121 3.529 10.325 60.038 1.00 0.00 N ATOM 0 H ARG A 121 3.086 17.535 59.058 1.00 0.00 H new ATOM 0 HA ARG A 121 3.397 17.098 61.886 1.00 0.00 H new ATOM 0 HB2 ARG A 121 3.340 14.697 61.229 1.00 0.00 H new ATOM 0 HB3 ARG A 121 1.988 15.621 60.603 1.00 0.00 H new ATOM 0 HG2 ARG A 121 3.101 15.752 58.380 1.00 0.00 H new ATOM 0 HG3 ARG A 121 4.461 14.839 59.004 1.00 0.00 H new ATOM 0 HD2 ARG A 121 1.598 13.786 58.877 1.00 0.00 H new ATOM 0 HD3 ARG A 121 2.828 13.455 57.673 1.00 0.00 H new ATOM 0 HE ARG A 121 3.660 12.763 60.396 1.00 0.00 H new ATOM 0 HH11 ARG A 121 1.921 11.566 57.539 1.00 0.00 H new ATOM 0 HH12 ARG A 121 2.215 9.873 57.951 1.00 0.00 H new ATOM 0 HH21 ARG A 121 4.052 10.608 60.867 1.00 0.00 H new ATOM 0 HH22 ARG A 121 3.413 9.335 59.821 1.00 0.00 H new ATOM 2016 N LEU A 122 6.077 16.993 60.038 1.00 0.00 N ATOM 2017 CA LEU A 122 7.551 17.036 60.094 1.00 0.00 C ATOM 2018 C LEU A 122 8.017 18.209 60.989 1.00 0.00 C ATOM 2019 O LEU A 122 9.044 18.119 61.656 1.00 0.00 O ATOM 2020 CB LEU A 122 8.129 17.158 58.660 1.00 0.00 C ATOM 2021 CG LEU A 122 9.687 17.160 58.529 1.00 0.00 C ATOM 2022 CD1 LEU A 122 10.319 15.879 59.137 1.00 0.00 C ATOM 2023 CD2 LEU A 122 10.112 17.343 57.054 1.00 0.00 C ATOM 0 H LEU A 122 5.693 17.296 59.143 1.00 0.00 H new ATOM 0 HA LEU A 122 7.923 16.111 60.534 1.00 0.00 H new ATOM 0 HB2 LEU A 122 7.738 16.333 58.064 1.00 0.00 H new ATOM 0 HB3 LEU A 122 7.749 18.079 58.217 1.00 0.00 H new ATOM 0 HG LEU A 122 10.063 18.007 59.102 1.00 0.00 H new ATOM 0 HD11 LEU A 122 11.403 15.920 59.026 1.00 0.00 H new ATOM 0 HD12 LEU A 122 10.065 15.815 60.195 1.00 0.00 H new ATOM 0 HD13 LEU A 122 9.934 15.001 58.618 1.00 0.00 H new ATOM 0 HD21 LEU A 122 11.200 17.341 56.986 1.00 0.00 H new ATOM 0 HD22 LEU A 122 9.710 16.526 56.455 1.00 0.00 H new ATOM 0 HD23 LEU A 122 9.726 18.291 56.679 1.00 0.00 H new ATOM 2035 N GLN A 123 7.228 19.300 60.993 1.00 0.00 N ATOM 2036 CA GLN A 123 7.467 20.472 61.862 1.00 0.00 C ATOM 2037 C GLN A 123 7.077 20.143 63.327 1.00 0.00 C ATOM 2038 O GLN A 123 7.693 20.651 64.272 1.00 0.00 O ATOM 2039 CB GLN A 123 6.665 21.695 61.324 1.00 0.00 C ATOM 2040 CG GLN A 123 6.879 23.027 62.085 1.00 0.00 C ATOM 2041 CD GLN A 123 8.321 23.546 62.036 1.00 0.00 C ATOM 2042 OE1 GLN A 123 8.692 24.289 61.125 1.00 0.00 O ATOM 2043 NE2 GLN A 123 9.134 23.177 63.019 1.00 0.00 N ATOM 0 H GLN A 123 6.407 19.396 60.395 1.00 0.00 H new ATOM 0 HA GLN A 123 8.528 20.723 61.849 1.00 0.00 H new ATOM 0 HB2 GLN A 123 6.931 21.849 60.278 1.00 0.00 H new ATOM 0 HB3 GLN A 123 5.603 21.450 61.350 1.00 0.00 H new ATOM 0 HG2 GLN A 123 6.216 23.784 61.666 1.00 0.00 H new ATOM 0 HG3 GLN A 123 6.588 22.890 63.126 1.00 0.00 H new ATOM 0 HE21 GLN A 123 8.794 22.561 63.758 1.00 0.00 H new ATOM 0 HE22 GLN A 123 10.098 23.510 63.036 1.00 0.00 H new