USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 690 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 68 MET CE :methyl 168:sc= -0.406 (180deg=-0.515) USER MOD Set 1.2: A 74 CYS SG : rot 78:sc= 0.265 USER MOD Set 2.1: A 47 LYS NZ :NH3+ 158:sc= 1.07 (180deg=0) USER MOD Set 2.2: A 62 THR OG1 : rot 180:sc= 0.918 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 MET CE :methyl 145:sc= -1.25 (180deg=-3.79!) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 8:sc= 0.73 USER MOD Single : A 39 THR OG1 : rot 64:sc= 1.29 USER MOD Single : A 45 MET CE :methyl -153:sc= -0.0376 (180deg=-0.349) USER MOD Single : A 49 LYS NZ :NH3+ 173:sc= 2.43 (180deg=2.33) USER MOD Single : A 50 LYS NZ :NH3+ 169:sc= 0.00106 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 174:sc= 0.943 (180deg=0.87) USER MOD Single : A 76 LYS NZ :NH3+ -175:sc= 2.06 (180deg=1.95) USER MOD Single : A 78 MET CE :methyl 172:sc= -0.0282 (180deg=-0.117) USER MOD Single : A 79 TYR OH : rot 130:sc= -0.287 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 144:sc= 1.21 (180deg=0.0286) USER MOD Single : A 98 SER OG : rot 150:sc= 2.14 USER MOD Single : A 109 THR OG1 : rot 70:sc= 0.561 USER MOD Single : A 110 GLN : amide:sc= -0.227 X(o=-0.23,f=-0.22) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 346 N ALA A 22 -4.681 -29.593 -3.653 1.00 0.00 N ATOM 347 CA ALA A 22 -4.223 -29.099 -4.945 1.00 0.00 C ATOM 348 C ALA A 22 -2.719 -28.834 -4.905 1.00 0.00 C ATOM 349 O ALA A 22 -2.187 -28.383 -3.890 1.00 0.00 O ATOM 350 CB ALA A 22 -4.996 -27.815 -5.264 1.00 0.00 C ATOM 0 HA ALA A 22 -4.406 -29.841 -5.722 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -4.671 -27.425 -6.228 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.063 -28.033 -5.302 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.805 -27.073 -4.489 1.00 0.00 H new ATOM 356 N GLU A 23 -2.033 -29.055 -6.028 1.00 0.00 N ATOM 357 CA GLU A 23 -0.567 -29.012 -6.110 1.00 0.00 C ATOM 358 C GLU A 23 -0.086 -28.258 -7.364 1.00 0.00 C ATOM 359 O GLU A 23 1.118 -28.184 -7.617 1.00 0.00 O ATOM 360 CB GLU A 23 -0.010 -30.450 -6.076 1.00 0.00 C ATOM 361 CG GLU A 23 -0.305 -31.186 -4.759 1.00 0.00 C ATOM 362 CD GLU A 23 0.372 -32.567 -4.723 1.00 0.00 C ATOM 363 OE1 GLU A 23 -0.233 -33.563 -5.184 1.00 0.00 O ATOM 364 OE2 GLU A 23 1.512 -32.682 -4.216 1.00 0.00 O ATOM 0 H GLU A 23 -2.482 -29.272 -6.918 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.188 -28.460 -5.250 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.436 -31.017 -6.904 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.068 -30.418 -6.233 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.045 -30.586 -3.919 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.382 -31.304 -4.640 1.00 0.00 H new ATOM 371 N ASP A 24 -1.005 -27.682 -8.147 1.00 0.00 N ATOM 372 CA ASP A 24 -0.713 -26.959 -9.387 1.00 0.00 C ATOM 373 C ASP A 24 -1.588 -25.711 -9.438 1.00 0.00 C ATOM 374 O ASP A 24 -2.695 -25.724 -8.899 1.00 0.00 O ATOM 375 CB ASP A 24 -1.011 -27.858 -10.594 1.00 0.00 C ATOM 376 CG ASP A 24 -0.801 -27.099 -11.912 1.00 0.00 C ATOM 377 OD1 ASP A 24 -1.768 -26.479 -12.405 1.00 0.00 O ATOM 378 OD2 ASP A 24 0.336 -27.104 -12.435 1.00 0.00 O ATOM 0 H ASP A 24 -2.001 -27.708 -7.928 1.00 0.00 H new ATOM 0 HA ASP A 24 0.339 -26.675 -9.416 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.363 -28.734 -10.568 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.038 -28.219 -10.538 1.00 0.00 H new ATOM 383 N LYS A 25 -1.111 -24.637 -10.074 1.00 0.00 N ATOM 384 CA LYS A 25 -1.805 -23.351 -10.123 1.00 0.00 C ATOM 385 C LYS A 25 -3.253 -23.456 -10.606 1.00 0.00 C ATOM 386 O LYS A 25 -4.096 -22.727 -10.089 1.00 0.00 O ATOM 387 CB LYS A 25 -1.000 -22.347 -10.970 1.00 0.00 C ATOM 388 CG LYS A 25 -0.945 -22.726 -12.461 1.00 0.00 C ATOM 389 CD LYS A 25 -0.054 -21.788 -13.277 1.00 0.00 C ATOM 390 CE LYS A 25 -0.091 -22.262 -14.736 1.00 0.00 C ATOM 391 NZ LYS A 25 0.746 -21.418 -15.626 1.00 0.00 N ATOM 0 H LYS A 25 -0.222 -24.638 -10.574 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.868 -22.986 -9.098 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.444 -21.357 -10.869 1.00 0.00 H new ATOM 0 HB3 LYS A 25 0.016 -22.283 -10.579 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.576 -23.747 -12.559 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.954 -22.711 -12.873 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.409 -20.760 -13.200 1.00 0.00 H new ATOM 0 HD3 LYS A 25 0.967 -21.803 -12.896 1.00 0.00 H new ATOM 0 HE2 LYS A 25 0.254 -23.295 -14.789 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.121 -22.252 -15.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 0.689 -21.778 -16.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 0.402 -20.437 -15.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 1.734 -21.448 -15.304 1.00 0.00 H new ATOM 405 N GLU A 26 -3.569 -24.336 -11.561 1.00 0.00 N ATOM 406 CA GLU A 26 -4.932 -24.462 -12.071 1.00 0.00 C ATOM 407 C GLU A 26 -5.827 -25.069 -10.987 1.00 0.00 C ATOM 408 O GLU A 26 -6.931 -24.589 -10.732 1.00 0.00 O ATOM 409 CB GLU A 26 -4.935 -25.332 -13.340 1.00 0.00 C ATOM 410 CG GLU A 26 -4.370 -24.572 -14.550 1.00 0.00 C ATOM 411 CD GLU A 26 -4.402 -25.431 -15.828 1.00 0.00 C ATOM 412 OE1 GLU A 26 -5.464 -25.516 -16.486 1.00 0.00 O ATOM 413 OE2 GLU A 26 -3.359 -26.010 -16.210 1.00 0.00 O ATOM 0 H GLU A 26 -2.898 -24.970 -11.994 1.00 0.00 H new ATOM 0 HA GLU A 26 -5.322 -23.478 -12.332 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.344 -26.231 -13.166 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.953 -25.656 -13.557 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.947 -23.661 -14.709 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.344 -24.267 -14.342 1.00 0.00 H new ATOM 420 N GLU A 27 -5.325 -26.090 -10.293 1.00 0.00 N ATOM 421 CA GLU A 27 -6.050 -26.759 -9.221 1.00 0.00 C ATOM 422 C GLU A 27 -6.194 -25.809 -8.026 1.00 0.00 C ATOM 423 O GLU A 27 -7.239 -25.765 -7.378 1.00 0.00 O ATOM 424 CB GLU A 27 -5.313 -28.050 -8.825 1.00 0.00 C ATOM 425 CG GLU A 27 -5.135 -29.041 -9.986 1.00 0.00 C ATOM 426 CD GLU A 27 -6.477 -29.571 -10.525 1.00 0.00 C ATOM 427 OE1 GLU A 27 -7.114 -30.417 -9.856 1.00 0.00 O ATOM 428 OE2 GLU A 27 -6.896 -29.174 -11.635 1.00 0.00 O ATOM 0 H GLU A 27 -4.396 -26.477 -10.463 1.00 0.00 H new ATOM 0 HA GLU A 27 -7.049 -27.030 -9.562 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -4.332 -27.790 -8.427 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -5.863 -28.540 -8.022 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.590 -28.553 -10.794 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -4.525 -29.880 -9.652 1.00 0.00 H new ATOM 435 N ARG A 28 -5.168 -25.002 -7.741 1.00 0.00 N ATOM 436 CA ARG A 28 -5.203 -24.037 -6.646 1.00 0.00 C ATOM 437 C ARG A 28 -6.121 -22.863 -6.971 1.00 0.00 C ATOM 438 O ARG A 28 -6.750 -22.347 -6.049 1.00 0.00 O ATOM 439 CB ARG A 28 -3.773 -23.605 -6.263 1.00 0.00 C ATOM 440 CG ARG A 28 -3.044 -24.804 -5.634 1.00 0.00 C ATOM 441 CD ARG A 28 -1.682 -24.510 -5.004 1.00 0.00 C ATOM 442 NE ARG A 28 -1.279 -25.664 -4.179 1.00 0.00 N ATOM 443 CZ ARG A 28 -0.435 -25.679 -3.144 1.00 0.00 C ATOM 444 NH1 ARG A 28 0.285 -24.622 -2.797 1.00 0.00 N ATOM 445 NH2 ARG A 28 -0.317 -26.784 -2.428 1.00 0.00 N ATOM 0 H ARG A 28 -4.292 -25.002 -8.264 1.00 0.00 H new ATOM 0 HA ARG A 28 -5.633 -24.516 -5.766 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.235 -23.257 -7.145 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.806 -22.772 -5.560 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -3.690 -25.235 -4.869 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.909 -25.565 -6.403 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -0.940 -24.324 -5.780 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -1.736 -23.610 -4.392 1.00 0.00 H new ATOM 0 HE ARG A 28 -1.696 -26.561 -4.430 1.00 0.00 H new ATOM 0 HH11 ARG A 28 0.206 -23.755 -3.328 1.00 0.00 H new ATOM 0 HH12 ARG A 28 0.918 -24.676 -1.999 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -0.866 -27.609 -2.669 1.00 0.00 H new ATOM 0 HH22 ARG A 28 0.323 -26.812 -1.634 1.00 0.00 H new ATOM 459 N ALA A 29 -6.283 -22.489 -8.245 1.00 0.00 N ATOM 460 CA ALA A 29 -7.303 -21.526 -8.642 1.00 0.00 C ATOM 461 C ALA A 29 -8.689 -22.085 -8.312 1.00 0.00 C ATOM 462 O ALA A 29 -9.531 -21.350 -7.801 1.00 0.00 O ATOM 463 CB ALA A 29 -7.196 -21.177 -10.133 1.00 0.00 C ATOM 0 H ALA A 29 -5.717 -22.842 -9.016 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.146 -20.603 -8.083 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.971 -20.457 -10.395 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.216 -20.745 -10.336 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -7.325 -22.081 -10.728 1.00 0.00 H new ATOM 469 N MET A 30 -8.924 -23.383 -8.540 1.00 0.00 N ATOM 470 CA MET A 30 -10.177 -24.019 -8.145 1.00 0.00 C ATOM 471 C MET A 30 -10.336 -24.047 -6.627 1.00 0.00 C ATOM 472 O MET A 30 -11.427 -23.762 -6.143 1.00 0.00 O ATOM 473 CB MET A 30 -10.322 -25.416 -8.759 1.00 0.00 C ATOM 474 CG MET A 30 -10.374 -25.399 -10.291 1.00 0.00 C ATOM 475 SD MET A 30 -11.860 -24.666 -11.042 1.00 0.00 S ATOM 476 CE MET A 30 -11.483 -22.890 -11.022 1.00 0.00 C ATOM 0 H MET A 30 -8.260 -24.009 -8.996 1.00 0.00 H new ATOM 0 HA MET A 30 -10.989 -23.411 -8.543 1.00 0.00 H new ATOM 0 HB2 MET A 30 -9.485 -26.036 -8.437 1.00 0.00 H new ATOM 0 HB3 MET A 30 -11.230 -25.882 -8.376 1.00 0.00 H new ATOM 0 HG2 MET A 30 -9.503 -24.855 -10.656 1.00 0.00 H new ATOM 0 HG3 MET A 30 -10.282 -26.425 -10.647 1.00 0.00 H new ATOM 0 HE1 MET A 30 -11.905 -22.418 -11.909 1.00 0.00 H new ATOM 0 HE2 MET A 30 -11.915 -22.436 -10.130 1.00 0.00 H new ATOM 0 HE3 MET A 30 -10.402 -22.747 -11.015 1.00 0.00 H new ATOM 486 N GLY A 31 -9.273 -24.315 -5.864 1.00 0.00 N ATOM 487 CA GLY A 31 -9.326 -24.265 -4.405 1.00 0.00 C ATOM 488 C GLY A 31 -9.768 -22.885 -3.905 1.00 0.00 C ATOM 489 O GLY A 31 -10.735 -22.788 -3.140 1.00 0.00 O ATOM 0 H GLY A 31 -8.359 -24.571 -6.239 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -10.017 -25.024 -4.039 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -8.344 -24.504 -3.996 1.00 0.00 H new ATOM 493 N TRP A 32 -9.115 -21.821 -4.396 1.00 0.00 N ATOM 494 CA TRP A 32 -9.518 -20.443 -4.142 1.00 0.00 C ATOM 495 C TRP A 32 -10.991 -20.243 -4.511 1.00 0.00 C ATOM 496 O TRP A 32 -11.768 -19.798 -3.668 1.00 0.00 O ATOM 497 CB TRP A 32 -8.631 -19.454 -4.919 1.00 0.00 C ATOM 498 CG TRP A 32 -7.371 -19.009 -4.238 1.00 0.00 C ATOM 499 CD1 TRP A 32 -6.124 -19.479 -4.467 1.00 0.00 C ATOM 500 CD2 TRP A 32 -7.212 -17.950 -3.243 1.00 0.00 C ATOM 501 NE1 TRP A 32 -5.211 -18.797 -3.689 1.00 0.00 N ATOM 502 CE2 TRP A 32 -5.828 -17.842 -2.908 1.00 0.00 C ATOM 503 CE3 TRP A 32 -8.097 -17.057 -2.599 1.00 0.00 C ATOM 504 CZ2 TRP A 32 -5.356 -16.909 -1.975 1.00 0.00 C ATOM 505 CZ3 TRP A 32 -7.632 -16.121 -1.655 1.00 0.00 C ATOM 506 CH2 TRP A 32 -6.264 -16.044 -1.342 1.00 0.00 C ATOM 0 H TRP A 32 -8.286 -21.901 -4.985 1.00 0.00 H new ATOM 0 HA TRP A 32 -9.392 -20.244 -3.078 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -8.361 -19.912 -5.870 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -9.226 -18.570 -5.148 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -5.879 -20.272 -5.158 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -4.207 -18.976 -3.691 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -9.150 -17.093 -2.835 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -4.302 -16.855 -1.744 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -8.332 -15.458 -1.168 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -5.913 -15.323 -0.618 1.00 0.00 H new ATOM 517 N TYR A 33 -11.381 -20.601 -5.739 1.00 0.00 N ATOM 518 CA TYR A 33 -12.739 -20.419 -6.236 1.00 0.00 C ATOM 519 C TYR A 33 -13.764 -21.090 -5.319 1.00 0.00 C ATOM 520 O TYR A 33 -14.765 -20.459 -4.984 1.00 0.00 O ATOM 521 CB TYR A 33 -12.853 -20.956 -7.674 1.00 0.00 C ATOM 522 CG TYR A 33 -14.281 -21.115 -8.164 1.00 0.00 C ATOM 523 CD1 TYR A 33 -14.935 -20.053 -8.813 1.00 0.00 C ATOM 524 CD2 TYR A 33 -14.982 -22.310 -7.902 1.00 0.00 C ATOM 525 CE1 TYR A 33 -16.280 -20.182 -9.198 1.00 0.00 C ATOM 526 CE2 TYR A 33 -16.344 -22.423 -8.229 1.00 0.00 C ATOM 527 CZ TYR A 33 -16.998 -21.360 -8.893 1.00 0.00 C ATOM 528 OH TYR A 33 -18.316 -21.453 -9.231 1.00 0.00 O ATOM 0 H TYR A 33 -10.752 -21.029 -6.419 1.00 0.00 H new ATOM 0 HA TYR A 33 -12.959 -19.351 -6.243 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -12.323 -20.281 -8.346 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -12.351 -21.922 -7.731 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -14.402 -19.136 -9.016 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -14.469 -23.144 -7.447 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -16.767 -19.378 -9.729 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -16.890 -23.319 -7.974 1.00 0.00 H new ATOM 0 HH TYR A 33 -18.664 -22.326 -8.953 1.00 0.00 H new ATOM 538 N TYR A 34 -13.543 -22.346 -4.911 1.00 0.00 N ATOM 539 CA TYR A 34 -14.556 -23.110 -4.198 1.00 0.00 C ATOM 540 C TYR A 34 -14.845 -22.470 -2.846 1.00 0.00 C ATOM 541 O TYR A 34 -16.014 -22.226 -2.537 1.00 0.00 O ATOM 542 CB TYR A 34 -14.137 -24.580 -4.018 1.00 0.00 C ATOM 543 CG TYR A 34 -14.181 -25.450 -5.267 1.00 0.00 C ATOM 544 CD1 TYR A 34 -15.337 -25.488 -6.074 1.00 0.00 C ATOM 545 CD2 TYR A 34 -13.085 -26.274 -5.590 1.00 0.00 C ATOM 546 CE1 TYR A 34 -15.381 -26.306 -7.216 1.00 0.00 C ATOM 547 CE2 TYR A 34 -13.125 -27.106 -6.723 1.00 0.00 C ATOM 548 CZ TYR A 34 -14.273 -27.118 -7.550 1.00 0.00 C ATOM 549 OH TYR A 34 -14.330 -27.913 -8.656 1.00 0.00 O ATOM 0 H TYR A 34 -12.669 -22.849 -5.066 1.00 0.00 H new ATOM 0 HA TYR A 34 -15.465 -23.098 -4.799 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -13.122 -24.601 -3.622 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -14.783 -25.030 -3.264 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -16.194 -24.885 -5.813 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -12.206 -26.267 -4.962 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -16.263 -26.314 -7.839 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -12.280 -27.735 -6.962 1.00 0.00 H new ATOM 0 HH TYR A 34 -13.489 -28.407 -8.747 1.00 0.00 H new ATOM 559 N TYR A 35 -13.812 -22.178 -2.043 1.00 0.00 N ATOM 560 CA TYR A 35 -14.063 -21.603 -0.725 1.00 0.00 C ATOM 561 C TYR A 35 -14.583 -20.167 -0.864 1.00 0.00 C ATOM 562 O TYR A 35 -15.444 -19.761 -0.086 1.00 0.00 O ATOM 563 CB TYR A 35 -12.841 -21.709 0.202 1.00 0.00 C ATOM 564 CG TYR A 35 -12.018 -20.443 0.336 1.00 0.00 C ATOM 565 CD1 TYR A 35 -10.975 -20.187 -0.569 1.00 0.00 C ATOM 566 CD2 TYR A 35 -12.325 -19.502 1.339 1.00 0.00 C ATOM 567 CE1 TYR A 35 -10.226 -19.003 -0.468 1.00 0.00 C ATOM 568 CE2 TYR A 35 -11.588 -18.311 1.442 1.00 0.00 C ATOM 569 CZ TYR A 35 -10.530 -18.056 0.538 1.00 0.00 C ATOM 570 OH TYR A 35 -9.803 -16.909 0.639 1.00 0.00 O ATOM 0 H TYR A 35 -12.830 -22.326 -2.276 1.00 0.00 H new ATOM 0 HA TYR A 35 -14.842 -22.191 -0.240 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -13.182 -22.007 1.193 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -12.195 -22.506 -0.166 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -10.748 -20.903 -1.345 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -13.130 -19.698 2.031 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -9.417 -18.815 -1.159 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -11.828 -17.591 2.210 1.00 0.00 H new ATOM 0 HH TYR A 35 -9.203 -16.833 -0.132 1.00 0.00 H new ATOM 580 N LEU A 36 -14.097 -19.406 -1.852 1.00 0.00 N ATOM 581 CA LEU A 36 -14.523 -18.032 -2.073 1.00 0.00 C ATOM 582 C LEU A 36 -16.008 -17.998 -2.425 1.00 0.00 C ATOM 583 O LEU A 36 -16.761 -17.293 -1.760 1.00 0.00 O ATOM 584 CB LEU A 36 -13.667 -17.405 -3.181 1.00 0.00 C ATOM 585 CG LEU A 36 -14.092 -15.986 -3.593 1.00 0.00 C ATOM 586 CD1 LEU A 36 -14.029 -14.979 -2.436 1.00 0.00 C ATOM 587 CD2 LEU A 36 -13.169 -15.522 -4.722 1.00 0.00 C ATOM 0 H LEU A 36 -13.397 -19.732 -2.518 1.00 0.00 H new ATOM 0 HA LEU A 36 -14.384 -17.449 -1.163 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -12.629 -17.377 -2.848 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -13.703 -18.050 -4.059 1.00 0.00 H new ATOM 0 HG LEU A 36 -15.133 -16.027 -3.914 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -14.341 -13.997 -2.791 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -14.694 -15.303 -1.635 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -13.008 -14.921 -2.059 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -13.451 -14.516 -5.032 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -12.137 -15.517 -4.370 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -13.260 -16.202 -5.569 1.00 0.00 H new ATOM 599 N ASP A 37 -16.447 -18.778 -3.414 1.00 0.00 N ATOM 600 CA ASP A 37 -17.849 -18.837 -3.828 1.00 0.00 C ATOM 601 C ASP A 37 -18.742 -19.267 -2.664 1.00 0.00 C ATOM 602 O ASP A 37 -19.805 -18.684 -2.453 1.00 0.00 O ATOM 603 CB ASP A 37 -18.022 -19.810 -4.999 1.00 0.00 C ATOM 604 CG ASP A 37 -19.504 -19.927 -5.388 1.00 0.00 C ATOM 605 OD1 ASP A 37 -20.042 -18.983 -6.007 1.00 0.00 O ATOM 606 OD2 ASP A 37 -20.126 -20.974 -5.096 1.00 0.00 O ATOM 0 H ASP A 37 -15.835 -19.390 -3.954 1.00 0.00 H new ATOM 0 HA ASP A 37 -18.147 -17.838 -4.147 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -17.442 -19.465 -5.855 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -17.633 -20.791 -4.725 1.00 0.00 H new ATOM 611 N ASP A 38 -18.285 -20.243 -1.873 1.00 0.00 N ATOM 612 CA ASP A 38 -18.978 -20.681 -0.658 1.00 0.00 C ATOM 613 C ASP A 38 -19.047 -19.593 0.431 1.00 0.00 C ATOM 614 O ASP A 38 -19.963 -19.613 1.255 1.00 0.00 O ATOM 615 CB ASP A 38 -18.300 -21.939 -0.100 1.00 0.00 C ATOM 616 CG ASP A 38 -19.017 -22.460 1.157 1.00 0.00 C ATOM 617 OD1 ASP A 38 -20.148 -22.984 1.040 1.00 0.00 O ATOM 618 OD2 ASP A 38 -18.434 -22.400 2.263 1.00 0.00 O ATOM 0 H ASP A 38 -17.421 -20.753 -2.058 1.00 0.00 H new ATOM 0 HA ASP A 38 -20.007 -20.900 -0.944 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -18.292 -22.717 -0.863 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -17.260 -21.716 0.140 1.00 0.00 H new ATOM 623 N THR A 39 -18.117 -18.633 0.439 1.00 0.00 N ATOM 624 CA THR A 39 -18.023 -17.596 1.467 1.00 0.00 C ATOM 625 C THR A 39 -18.779 -16.324 1.061 1.00 0.00 C ATOM 626 O THR A 39 -19.386 -15.690 1.925 1.00 0.00 O ATOM 627 CB THR A 39 -16.539 -17.292 1.749 1.00 0.00 C ATOM 628 OG1 THR A 39 -15.881 -18.461 2.192 1.00 0.00 O ATOM 629 CG2 THR A 39 -16.351 -16.204 2.813 1.00 0.00 C ATOM 0 H THR A 39 -17.398 -18.555 -0.280 1.00 0.00 H new ATOM 0 HA THR A 39 -18.495 -17.965 2.378 1.00 0.00 H new ATOM 0 HB THR A 39 -16.113 -16.934 0.812 1.00 0.00 H new ATOM 0 HG1 THR A 39 -15.881 -19.128 1.474 1.00 0.00 H new ATOM 0 HG21 THR A 39 -15.287 -16.030 2.972 1.00 0.00 H new ATOM 0 HG22 THR A 39 -16.823 -15.281 2.477 1.00 0.00 H new ATOM 0 HG23 THR A 39 -16.809 -16.526 3.748 1.00 0.00 H new ATOM 637 N LEU A 40 -18.749 -15.942 -0.222 1.00 0.00 N ATOM 638 CA LEU A 40 -19.409 -14.739 -0.721 1.00 0.00 C ATOM 639 C LEU A 40 -20.908 -14.831 -0.416 1.00 0.00 C ATOM 640 O LEU A 40 -21.580 -15.751 -0.884 1.00 0.00 O ATOM 641 CB LEU A 40 -19.195 -14.582 -2.241 1.00 0.00 C ATOM 642 CG LEU A 40 -17.769 -14.218 -2.702 1.00 0.00 C ATOM 643 CD1 LEU A 40 -17.685 -14.318 -4.229 1.00 0.00 C ATOM 644 CD2 LEU A 40 -17.316 -12.826 -2.263 1.00 0.00 C ATOM 0 H LEU A 40 -18.260 -16.468 -0.946 1.00 0.00 H new ATOM 0 HA LEU A 40 -18.978 -13.869 -0.227 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -19.481 -15.516 -2.724 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -19.877 -13.813 -2.604 1.00 0.00 H new ATOM 0 HG LEU A 40 -17.098 -14.931 -2.222 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -16.677 -14.061 -4.556 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -17.919 -15.336 -4.540 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -18.399 -13.628 -4.679 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -16.304 -12.642 -2.624 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -17.991 -12.077 -2.677 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -17.329 -12.765 -1.175 1.00 0.00 H new ATOM 656 N GLU A 41 -21.456 -13.860 0.315 1.00 0.00 N ATOM 657 CA GLU A 41 -22.881 -13.752 0.640 1.00 0.00 C ATOM 658 C GLU A 41 -23.628 -13.107 -0.536 1.00 0.00 C ATOM 659 O GLU A 41 -24.353 -12.122 -0.388 1.00 0.00 O ATOM 660 CB GLU A 41 -23.054 -12.986 1.965 1.00 0.00 C ATOM 661 CG GLU A 41 -22.566 -13.818 3.158 1.00 0.00 C ATOM 662 CD GLU A 41 -23.595 -14.881 3.588 1.00 0.00 C ATOM 663 OE1 GLU A 41 -24.472 -14.578 4.429 1.00 0.00 O ATOM 664 OE2 GLU A 41 -23.534 -16.035 3.106 1.00 0.00 O ATOM 0 H GLU A 41 -20.902 -13.101 0.711 1.00 0.00 H new ATOM 0 HA GLU A 41 -23.318 -14.739 0.789 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -22.499 -12.049 1.921 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -24.104 -12.728 2.104 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -21.628 -14.308 2.897 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -22.357 -13.156 3.999 1.00 0.00 H new ATOM 671 N PHE A 42 -23.371 -13.627 -1.736 1.00 0.00 N ATOM 672 CA PHE A 42 -23.928 -13.116 -2.983 1.00 0.00 C ATOM 673 C PHE A 42 -25.465 -13.262 -3.019 1.00 0.00 C ATOM 674 O PHE A 42 -26.000 -14.172 -2.375 1.00 0.00 O ATOM 675 CB PHE A 42 -23.231 -13.779 -4.187 1.00 0.00 C ATOM 676 CG PHE A 42 -23.520 -15.256 -4.405 1.00 0.00 C ATOM 677 CD1 PHE A 42 -24.704 -15.657 -5.055 1.00 0.00 C ATOM 678 CD2 PHE A 42 -22.590 -16.234 -4.000 1.00 0.00 C ATOM 679 CE1 PHE A 42 -24.968 -17.020 -5.274 1.00 0.00 C ATOM 680 CE2 PHE A 42 -22.855 -17.597 -4.218 1.00 0.00 C ATOM 681 CZ PHE A 42 -24.045 -17.992 -4.852 1.00 0.00 C ATOM 0 H PHE A 42 -22.757 -14.431 -1.868 1.00 0.00 H new ATOM 0 HA PHE A 42 -23.731 -12.046 -3.045 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -23.518 -13.238 -5.089 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -22.154 -13.655 -4.070 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -25.413 -14.913 -5.387 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -21.670 -15.935 -3.520 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -25.881 -17.321 -5.767 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -22.142 -18.342 -3.897 1.00 0.00 H new ATOM 0 HZ PHE A 42 -24.250 -19.040 -5.015 1.00 0.00 H new ATOM 691 N PRO A 43 -26.189 -12.429 -3.796 1.00 0.00 N ATOM 692 CA PRO A 43 -25.691 -11.255 -4.511 1.00 0.00 C ATOM 693 C PRO A 43 -25.298 -10.129 -3.540 1.00 0.00 C ATOM 694 O PRO A 43 -25.838 -10.021 -2.437 1.00 0.00 O ATOM 695 CB PRO A 43 -26.834 -10.828 -5.436 1.00 0.00 C ATOM 696 CG PRO A 43 -28.085 -11.276 -4.683 1.00 0.00 C ATOM 697 CD PRO A 43 -27.627 -12.557 -3.986 1.00 0.00 C ATOM 0 HA PRO A 43 -24.785 -11.482 -5.073 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -26.832 -9.751 -5.607 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -26.760 -11.306 -6.413 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -28.416 -10.524 -3.967 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -28.919 -11.461 -5.360 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -28.136 -12.682 -3.030 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -27.863 -13.433 -4.590 1.00 0.00 H new ATOM 705 N PHE A 44 -24.358 -9.288 -3.969 1.00 0.00 N ATOM 706 CA PHE A 44 -23.855 -8.130 -3.232 1.00 0.00 C ATOM 707 C PHE A 44 -23.630 -6.987 -4.223 1.00 0.00 C ATOM 708 O PHE A 44 -24.083 -7.078 -5.364 1.00 0.00 O ATOM 709 CB PHE A 44 -22.601 -8.511 -2.421 1.00 0.00 C ATOM 710 CG PHE A 44 -21.350 -8.937 -3.183 1.00 0.00 C ATOM 711 CD1 PHE A 44 -21.198 -10.265 -3.626 1.00 0.00 C ATOM 712 CD2 PHE A 44 -20.282 -8.036 -3.360 1.00 0.00 C ATOM 713 CE1 PHE A 44 -19.999 -10.689 -4.225 1.00 0.00 C ATOM 714 CE2 PHE A 44 -19.077 -8.457 -3.950 1.00 0.00 C ATOM 715 CZ PHE A 44 -18.931 -9.788 -4.375 1.00 0.00 C ATOM 0 H PHE A 44 -23.908 -9.400 -4.877 1.00 0.00 H new ATOM 0 HA PHE A 44 -24.581 -7.786 -2.495 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -22.336 -7.657 -1.797 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -22.874 -9.324 -1.749 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -22.011 -10.965 -3.504 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -20.390 -7.010 -3.039 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -19.899 -11.707 -4.570 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -18.264 -7.757 -4.076 1.00 0.00 H new ATOM 0 HZ PHE A 44 -18.002 -10.118 -4.815 1.00 0.00 H new ATOM 725 N MET A 45 -22.959 -5.901 -3.833 1.00 0.00 N ATOM 726 CA MET A 45 -22.635 -4.821 -4.758 1.00 0.00 C ATOM 727 C MET A 45 -21.193 -4.354 -4.598 1.00 0.00 C ATOM 728 O MET A 45 -20.512 -4.669 -3.622 1.00 0.00 O ATOM 729 CB MET A 45 -23.654 -3.676 -4.638 1.00 0.00 C ATOM 730 CG MET A 45 -23.455 -2.741 -3.435 1.00 0.00 C ATOM 731 SD MET A 45 -23.902 -1.009 -3.748 1.00 0.00 S ATOM 732 CE MET A 45 -22.602 -0.531 -4.930 1.00 0.00 C ATOM 0 H MET A 45 -22.630 -5.749 -2.879 1.00 0.00 H new ATOM 0 HA MET A 45 -22.711 -5.207 -5.774 1.00 0.00 H new ATOM 0 HB2 MET A 45 -23.615 -3.080 -5.550 1.00 0.00 H new ATOM 0 HB3 MET A 45 -24.654 -4.106 -4.581 1.00 0.00 H new ATOM 0 HG2 MET A 45 -24.050 -3.112 -2.600 1.00 0.00 H new ATOM 0 HG3 MET A 45 -22.411 -2.784 -3.126 1.00 0.00 H new ATOM 0 HE1 MET A 45 -22.423 0.542 -4.860 1.00 0.00 H new ATOM 0 HE2 MET A 45 -21.683 -1.068 -4.697 1.00 0.00 H new ATOM 0 HE3 MET A 45 -22.921 -0.780 -5.942 1.00 0.00 H new ATOM 742 N GLY A 46 -20.733 -3.577 -5.568 1.00 0.00 N ATOM 743 CA GLY A 46 -19.385 -3.063 -5.573 1.00 0.00 C ATOM 744 C GLY A 46 -19.215 -1.957 -6.587 1.00 0.00 C ATOM 745 O GLY A 46 -20.147 -1.565 -7.294 1.00 0.00 O ATOM 0 H GLY A 46 -21.291 -3.289 -6.372 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -19.134 -2.689 -4.580 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -18.688 -3.871 -5.795 1.00 0.00 H new ATOM 749 N LYS A 47 -17.986 -1.470 -6.660 1.00 0.00 N ATOM 750 CA LYS A 47 -17.534 -0.555 -7.689 1.00 0.00 C ATOM 751 C LYS A 47 -16.466 -1.288 -8.484 1.00 0.00 C ATOM 752 O LYS A 47 -15.463 -1.712 -7.912 1.00 0.00 O ATOM 753 CB LYS A 47 -16.997 0.722 -7.017 1.00 0.00 C ATOM 754 CG LYS A 47 -16.876 1.899 -7.993 1.00 0.00 C ATOM 755 CD LYS A 47 -18.225 2.592 -8.251 1.00 0.00 C ATOM 756 CE LYS A 47 -18.692 3.451 -7.066 1.00 0.00 C ATOM 757 NZ LYS A 47 -19.854 4.302 -7.429 1.00 0.00 N ATOM 0 H LYS A 47 -17.258 -1.708 -5.986 1.00 0.00 H new ATOM 0 HA LYS A 47 -18.334 -0.248 -8.363 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -17.659 1.002 -6.197 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -16.020 0.515 -6.581 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -16.168 2.626 -7.594 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -16.468 1.542 -8.939 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -18.141 3.220 -9.138 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -18.981 1.836 -8.466 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -18.961 2.804 -6.231 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -17.870 4.082 -6.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -20.369 4.573 -6.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -19.519 5.158 -7.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -20.489 3.772 -8.059 1.00 0.00 H new ATOM 771 N TRP A 48 -16.682 -1.477 -9.781 1.00 0.00 N ATOM 772 CA TRP A 48 -15.641 -1.957 -10.674 1.00 0.00 C ATOM 773 C TRP A 48 -14.751 -0.743 -10.904 1.00 0.00 C ATOM 774 O TRP A 48 -15.174 0.248 -11.496 1.00 0.00 O ATOM 775 CB TRP A 48 -16.239 -2.530 -11.969 1.00 0.00 C ATOM 776 CG TRP A 48 -15.294 -3.201 -12.930 1.00 0.00 C ATOM 777 CD1 TRP A 48 -13.944 -3.233 -12.851 1.00 0.00 C ATOM 778 CD2 TRP A 48 -15.615 -3.962 -14.139 1.00 0.00 C ATOM 779 NE1 TRP A 48 -13.416 -3.956 -13.893 1.00 0.00 N ATOM 780 CE2 TRP A 48 -14.401 -4.460 -14.705 1.00 0.00 C ATOM 781 CE3 TRP A 48 -16.810 -4.291 -14.815 1.00 0.00 C ATOM 782 CZ2 TRP A 48 -14.372 -5.264 -15.852 1.00 0.00 C ATOM 783 CZ3 TRP A 48 -16.795 -5.097 -15.970 1.00 0.00 C ATOM 784 CH2 TRP A 48 -15.581 -5.591 -16.481 1.00 0.00 C ATOM 0 H TRP A 48 -17.577 -1.303 -10.238 1.00 0.00 H new ATOM 0 HA TRP A 48 -15.069 -2.786 -10.258 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -17.009 -3.251 -11.694 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -16.737 -1.718 -12.498 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -13.362 -2.756 -12.076 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -12.418 -4.100 -14.044 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -17.752 -3.918 -14.440 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -13.433 -5.626 -16.245 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -17.723 -5.338 -16.467 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -15.581 -6.222 -17.358 1.00 0.00 H new ATOM 795 N LYS A 49 -13.533 -0.797 -10.373 1.00 0.00 N ATOM 796 CA LYS A 49 -12.521 0.253 -10.469 1.00 0.00 C ATOM 797 C LYS A 49 -11.801 0.113 -11.821 1.00 0.00 C ATOM 798 O LYS A 49 -10.573 0.036 -11.864 1.00 0.00 O ATOM 799 CB LYS A 49 -11.552 0.119 -9.269 1.00 0.00 C ATOM 800 CG LYS A 49 -12.216 -0.048 -7.887 1.00 0.00 C ATOM 801 CD LYS A 49 -12.998 1.167 -7.370 1.00 0.00 C ATOM 802 CE LYS A 49 -12.049 2.235 -6.809 1.00 0.00 C ATOM 803 NZ LYS A 49 -12.735 3.144 -5.862 1.00 0.00 N ATOM 0 H LYS A 49 -13.210 -1.606 -9.842 1.00 0.00 H new ATOM 0 HA LYS A 49 -12.966 1.247 -10.427 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -10.902 -0.738 -9.445 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -10.914 1.002 -9.241 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -12.894 -0.900 -7.931 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -11.442 -0.294 -7.160 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -13.592 1.592 -8.179 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -13.695 0.852 -6.594 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -11.214 1.749 -6.305 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -11.631 2.816 -7.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -12.037 3.773 -5.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -13.438 3.714 -6.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -13.213 2.584 -5.128 1.00 0.00 H new ATOM 817 N LYS A 50 -12.553 0.001 -12.923 1.00 0.00 N ATOM 818 CA LYS A 50 -12.010 -0.359 -14.231 1.00 0.00 C ATOM 819 C LYS A 50 -10.969 0.665 -14.651 1.00 0.00 C ATOM 820 O LYS A 50 -11.309 1.835 -14.784 1.00 0.00 O ATOM 821 CB LYS A 50 -13.165 -0.452 -15.247 1.00 0.00 C ATOM 822 CG LYS A 50 -12.676 -0.726 -16.680 1.00 0.00 C ATOM 823 CD LYS A 50 -13.819 -0.974 -17.676 1.00 0.00 C ATOM 824 CE LYS A 50 -14.582 -2.273 -17.376 1.00 0.00 C ATOM 825 NZ LYS A 50 -15.599 -2.585 -18.411 1.00 0.00 N ATOM 0 H LYS A 50 -13.561 0.159 -12.928 1.00 0.00 H new ATOM 0 HA LYS A 50 -11.518 -1.330 -14.185 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -13.848 -1.245 -14.943 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -13.732 0.479 -15.233 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -12.083 0.122 -17.022 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -12.016 -1.594 -16.672 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -14.512 -0.133 -17.647 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -13.414 -1.018 -18.687 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -13.874 -3.099 -17.306 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -15.070 -2.188 -16.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -15.954 -3.552 -18.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -16.388 -1.912 -18.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -15.168 -2.510 -19.355 1.00 0.00 H new ATOM 976 N GLU A 59 -12.529 4.310 -14.541 1.00 0.00 N ATOM 977 CA GLU A 59 -13.966 4.397 -14.698 1.00 0.00 C ATOM 978 C GLU A 59 -14.515 3.596 -13.517 1.00 0.00 C ATOM 979 O GLU A 59 -14.419 2.366 -13.479 1.00 0.00 O ATOM 980 CB GLU A 59 -14.423 3.793 -16.040 1.00 0.00 C ATOM 981 CG GLU A 59 -14.218 4.761 -17.216 1.00 0.00 C ATOM 982 CD GLU A 59 -14.863 4.251 -18.520 1.00 0.00 C ATOM 983 OE1 GLU A 59 -16.111 4.190 -18.604 1.00 0.00 O ATOM 984 OE2 GLU A 59 -14.130 3.953 -19.491 1.00 0.00 O ATOM 0 HA GLU A 59 -14.321 5.427 -14.709 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -13.870 2.873 -16.229 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -15.477 3.523 -15.974 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -14.641 5.732 -16.961 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -13.150 4.911 -17.377 1.00 0.00 H new ATOM 991 N GLU A 60 -15.019 4.304 -12.508 1.00 0.00 N ATOM 992 CA GLU A 60 -15.634 3.706 -11.333 1.00 0.00 C ATOM 993 C GLU A 60 -17.084 3.360 -11.701 1.00 0.00 C ATOM 994 O GLU A 60 -17.961 4.227 -11.670 1.00 0.00 O ATOM 995 CB GLU A 60 -15.542 4.684 -10.148 1.00 0.00 C ATOM 996 CG GLU A 60 -14.096 4.915 -9.691 1.00 0.00 C ATOM 997 CD GLU A 60 -14.057 5.674 -8.355 1.00 0.00 C ATOM 998 OE1 GLU A 60 -14.150 5.017 -7.294 1.00 0.00 O ATOM 999 OE2 GLU A 60 -13.919 6.919 -8.355 1.00 0.00 O ATOM 0 H GLU A 60 -15.010 5.324 -12.487 1.00 0.00 H new ATOM 0 HA GLU A 60 -15.121 2.795 -11.025 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -15.987 5.638 -10.432 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -16.126 4.296 -9.314 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -13.587 3.957 -9.585 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -13.556 5.480 -10.451 1.00 0.00 H new ATOM 1006 N LYS A 61 -17.339 2.109 -12.097 1.00 0.00 N ATOM 1007 CA LYS A 61 -18.658 1.650 -12.536 1.00 0.00 C ATOM 1008 C LYS A 61 -19.341 0.943 -11.373 1.00 0.00 C ATOM 1009 O LYS A 61 -18.826 -0.061 -10.883 1.00 0.00 O ATOM 1010 CB LYS A 61 -18.481 0.723 -13.749 1.00 0.00 C ATOM 1011 CG LYS A 61 -19.812 0.172 -14.279 1.00 0.00 C ATOM 1012 CD LYS A 61 -19.617 -0.645 -15.568 1.00 0.00 C ATOM 1013 CE LYS A 61 -19.434 0.226 -16.823 1.00 0.00 C ATOM 1014 NZ LYS A 61 -20.649 1.016 -17.147 1.00 0.00 N ATOM 0 H LYS A 61 -16.627 1.379 -12.122 1.00 0.00 H new ATOM 0 HA LYS A 61 -19.288 2.486 -12.840 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -17.976 1.269 -14.546 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -17.833 -0.109 -13.473 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -20.275 -0.455 -13.517 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -20.497 0.998 -14.472 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -18.746 -1.290 -15.452 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -20.479 -1.297 -15.710 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -18.593 0.903 -16.672 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -19.182 -0.411 -17.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -20.444 1.660 -17.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -21.420 0.372 -17.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -20.936 1.569 -16.314 1.00 0.00 H new ATOM 1028 N THR A 62 -20.474 1.450 -10.900 1.00 0.00 N ATOM 1029 CA THR A 62 -21.247 0.787 -9.857 1.00 0.00 C ATOM 1030 C THR A 62 -21.864 -0.495 -10.434 1.00 0.00 C ATOM 1031 O THR A 62 -22.445 -0.471 -11.521 1.00 0.00 O ATOM 1032 CB THR A 62 -22.304 1.762 -9.313 1.00 0.00 C ATOM 1033 OG1 THR A 62 -21.743 3.059 -9.181 1.00 0.00 O ATOM 1034 CG2 THR A 62 -22.784 1.343 -7.926 1.00 0.00 C ATOM 0 H THR A 62 -20.880 2.327 -11.226 1.00 0.00 H new ATOM 0 HA THR A 62 -20.612 0.499 -9.019 1.00 0.00 H new ATOM 0 HB THR A 62 -23.137 1.756 -10.016 1.00 0.00 H new ATOM 0 HG1 THR A 62 -22.422 3.676 -8.836 1.00 0.00 H new ATOM 0 HG21 THR A 62 -23.531 2.053 -7.570 1.00 0.00 H new ATOM 0 HG22 THR A 62 -23.226 0.348 -7.979 1.00 0.00 H new ATOM 0 HG23 THR A 62 -21.939 1.329 -7.237 1.00 0.00 H new ATOM 1042 N VAL A 63 -21.746 -1.605 -9.704 1.00 0.00 N ATOM 1043 CA VAL A 63 -22.176 -2.919 -10.166 1.00 0.00 C ATOM 1044 C VAL A 63 -22.848 -3.700 -9.036 1.00 0.00 C ATOM 1045 O VAL A 63 -22.461 -3.586 -7.871 1.00 0.00 O ATOM 1046 CB VAL A 63 -20.984 -3.707 -10.758 1.00 0.00 C ATOM 1047 CG1 VAL A 63 -20.507 -3.134 -12.102 1.00 0.00 C ATOM 1048 CG2 VAL A 63 -19.764 -3.802 -9.823 1.00 0.00 C ATOM 0 H VAL A 63 -21.345 -1.614 -8.766 1.00 0.00 H new ATOM 0 HA VAL A 63 -22.912 -2.779 -10.957 1.00 0.00 H new ATOM 0 HB VAL A 63 -21.389 -4.709 -10.899 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -19.669 -3.725 -12.472 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -21.323 -3.170 -12.823 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -20.190 -2.100 -11.965 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -18.973 -4.370 -10.313 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -19.402 -2.800 -9.594 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -20.052 -4.304 -8.899 1.00 0.00 H new ATOM 1058 N GLU A 64 -23.849 -4.508 -9.383 1.00 0.00 N ATOM 1059 CA GLU A 64 -24.437 -5.483 -8.476 1.00 0.00 C ATOM 1060 C GLU A 64 -23.740 -6.792 -8.834 1.00 0.00 C ATOM 1061 O GLU A 64 -23.801 -7.224 -9.985 1.00 0.00 O ATOM 1062 CB GLU A 64 -25.961 -5.553 -8.655 1.00 0.00 C ATOM 1063 CG GLU A 64 -26.616 -6.482 -7.625 1.00 0.00 C ATOM 1064 CD GLU A 64 -28.152 -6.441 -7.724 1.00 0.00 C ATOM 1065 OE1 GLU A 64 -28.739 -7.168 -8.556 1.00 0.00 O ATOM 1066 OE2 GLU A 64 -28.793 -5.693 -6.951 1.00 0.00 O ATOM 0 H GLU A 64 -24.275 -4.501 -10.310 1.00 0.00 H new ATOM 0 HA GLU A 64 -24.295 -5.231 -7.425 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -26.384 -4.553 -8.562 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -26.193 -5.905 -9.660 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -26.267 -7.503 -7.781 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -26.307 -6.190 -6.621 1.00 0.00 H new ATOM 1073 N VAL A 65 -23.007 -7.369 -7.890 1.00 0.00 N ATOM 1074 CA VAL A 65 -22.202 -8.558 -8.097 1.00 0.00 C ATOM 1075 C VAL A 65 -23.129 -9.741 -7.826 1.00 0.00 C ATOM 1076 O VAL A 65 -23.574 -9.955 -6.696 1.00 0.00 O ATOM 1077 CB VAL A 65 -20.948 -8.523 -7.200 1.00 0.00 C ATOM 1078 CG1 VAL A 65 -19.968 -9.596 -7.683 1.00 0.00 C ATOM 1079 CG2 VAL A 65 -20.218 -7.164 -7.238 1.00 0.00 C ATOM 0 H VAL A 65 -22.957 -7.011 -6.936 1.00 0.00 H new ATOM 0 HA VAL A 65 -21.810 -8.634 -9.111 1.00 0.00 H new ATOM 0 HB VAL A 65 -21.281 -8.698 -6.177 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -19.076 -9.582 -7.057 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -20.441 -10.576 -7.619 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -19.689 -9.395 -8.717 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -19.345 -7.202 -6.587 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -19.901 -6.950 -8.259 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -20.892 -6.379 -6.895 1.00 0.00 H new ATOM 1089 N LEU A 66 -23.482 -10.464 -8.886 1.00 0.00 N ATOM 1090 CA LEU A 66 -24.526 -11.482 -8.848 1.00 0.00 C ATOM 1091 C LEU A 66 -24.033 -12.781 -8.208 1.00 0.00 C ATOM 1092 O LEU A 66 -24.829 -13.505 -7.614 1.00 0.00 O ATOM 1093 CB LEU A 66 -25.039 -11.764 -10.272 1.00 0.00 C ATOM 1094 CG LEU A 66 -25.525 -10.527 -11.056 1.00 0.00 C ATOM 1095 CD1 LEU A 66 -26.077 -10.969 -12.414 1.00 0.00 C ATOM 1096 CD2 LEU A 66 -26.599 -9.731 -10.306 1.00 0.00 C ATOM 0 H LEU A 66 -23.047 -10.358 -9.803 1.00 0.00 H new ATOM 0 HA LEU A 66 -25.339 -11.096 -8.233 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -24.241 -12.243 -10.840 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -25.859 -12.479 -10.210 1.00 0.00 H new ATOM 0 HG LEU A 66 -24.665 -9.869 -11.183 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -26.421 -10.096 -12.969 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -25.293 -11.472 -12.979 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -26.911 -11.654 -12.262 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -26.902 -8.873 -10.906 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -27.464 -10.369 -10.123 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -26.197 -9.384 -9.354 1.00 0.00 H new ATOM 1108 N GLY A 67 -22.739 -13.081 -8.333 1.00 0.00 N ATOM 1109 CA GLY A 67 -22.116 -14.316 -7.898 1.00 0.00 C ATOM 1110 C GLY A 67 -20.810 -14.467 -8.669 1.00 0.00 C ATOM 1111 O GLY A 67 -20.481 -13.634 -9.521 1.00 0.00 O ATOM 0 H GLY A 67 -22.074 -12.436 -8.760 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -21.927 -14.293 -6.825 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -22.773 -15.165 -8.088 1.00 0.00 H new ATOM 1115 N MET A 68 -20.050 -15.519 -8.380 1.00 0.00 N ATOM 1116 CA MET A 68 -18.861 -15.841 -9.164 1.00 0.00 C ATOM 1117 C MET A 68 -19.247 -16.211 -10.598 1.00 0.00 C ATOM 1118 O MET A 68 -20.335 -16.735 -10.853 1.00 0.00 O ATOM 1119 CB MET A 68 -18.022 -16.944 -8.513 1.00 0.00 C ATOM 1120 CG MET A 68 -17.426 -16.477 -7.179 1.00 0.00 C ATOM 1121 SD MET A 68 -15.790 -17.151 -6.784 1.00 0.00 S ATOM 1122 CE MET A 68 -14.784 -16.265 -8.007 1.00 0.00 C ATOM 0 H MET A 68 -20.235 -16.162 -7.610 1.00 0.00 H new ATOM 0 HA MET A 68 -18.237 -14.948 -9.194 1.00 0.00 H new ATOM 0 HB2 MET A 68 -18.641 -17.826 -8.348 1.00 0.00 H new ATOM 0 HB3 MET A 68 -17.219 -17.240 -9.189 1.00 0.00 H new ATOM 0 HG2 MET A 68 -17.360 -15.389 -7.190 1.00 0.00 H new ATOM 0 HG3 MET A 68 -18.115 -16.746 -6.378 1.00 0.00 H new ATOM 0 HE1 MET A 68 -13.728 -16.394 -7.771 1.00 0.00 H new ATOM 0 HE2 MET A 68 -14.985 -16.664 -9.001 1.00 0.00 H new ATOM 0 HE3 MET A 68 -15.034 -15.204 -7.984 1.00 0.00 H new ATOM 1132 N ALA A 69 -18.330 -15.941 -11.528 1.00 0.00 N ATOM 1133 CA ALA A 69 -18.406 -16.401 -12.907 1.00 0.00 C ATOM 1134 C ALA A 69 -18.289 -17.937 -12.948 1.00 0.00 C ATOM 1135 O ALA A 69 -17.917 -18.541 -11.935 1.00 0.00 O ATOM 1136 CB ALA A 69 -17.273 -15.732 -13.691 1.00 0.00 C ATOM 0 H ALA A 69 -17.498 -15.384 -11.335 1.00 0.00 H new ATOM 0 HA ALA A 69 -19.362 -16.132 -13.357 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -17.307 -16.060 -14.730 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -17.391 -14.649 -13.648 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -16.314 -16.010 -13.254 1.00 0.00 H new ATOM 1142 N PRO A 70 -18.568 -18.584 -14.096 1.00 0.00 N ATOM 1143 CA PRO A 70 -18.282 -19.998 -14.289 1.00 0.00 C ATOM 1144 C PRO A 70 -16.855 -20.360 -13.867 1.00 0.00 C ATOM 1145 O PRO A 70 -15.908 -19.592 -14.079 1.00 0.00 O ATOM 1146 CB PRO A 70 -18.520 -20.272 -15.778 1.00 0.00 C ATOM 1147 CG PRO A 70 -19.573 -19.231 -16.151 1.00 0.00 C ATOM 1148 CD PRO A 70 -19.169 -18.028 -15.301 1.00 0.00 C ATOM 0 HA PRO A 70 -18.926 -20.616 -13.663 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -17.608 -20.151 -16.362 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -18.877 -21.287 -15.950 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -19.554 -18.999 -17.216 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -20.581 -19.572 -15.917 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -18.462 -17.391 -15.834 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -20.034 -17.411 -15.059 1.00 0.00 H new ATOM 1156 N ASP A 71 -16.695 -21.567 -13.324 1.00 0.00 N ATOM 1157 CA ASP A 71 -15.395 -22.102 -12.929 1.00 0.00 C ATOM 1158 C ASP A 71 -14.426 -22.140 -14.115 1.00 0.00 C ATOM 1159 O ASP A 71 -13.226 -21.976 -13.919 1.00 0.00 O ATOM 1160 CB ASP A 71 -15.535 -23.494 -12.296 1.00 0.00 C ATOM 1161 CG ASP A 71 -15.734 -24.611 -13.336 1.00 0.00 C ATOM 1162 OD1 ASP A 71 -16.846 -24.713 -13.903 1.00 0.00 O ATOM 1163 OD2 ASP A 71 -14.804 -25.413 -13.570 1.00 0.00 O ATOM 0 H ASP A 71 -17.471 -22.205 -13.145 1.00 0.00 H new ATOM 0 HA ASP A 71 -14.980 -21.430 -12.177 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -14.645 -23.710 -11.705 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -16.381 -23.491 -11.608 1.00 0.00 H new ATOM 1168 N ASP A 72 -14.941 -22.271 -15.343 1.00 0.00 N ATOM 1169 CA ASP A 72 -14.149 -22.258 -16.572 1.00 0.00 C ATOM 1170 C ASP A 72 -13.351 -20.959 -16.738 1.00 0.00 C ATOM 1171 O ASP A 72 -12.220 -20.995 -17.226 1.00 0.00 O ATOM 1172 CB ASP A 72 -15.067 -22.457 -17.782 1.00 0.00 C ATOM 1173 CG ASP A 72 -14.269 -22.413 -19.096 1.00 0.00 C ATOM 1174 OD1 ASP A 72 -13.552 -23.392 -19.405 1.00 0.00 O ATOM 1175 OD2 ASP A 72 -14.388 -21.421 -19.848 1.00 0.00 O ATOM 0 H ASP A 72 -15.940 -22.391 -15.510 1.00 0.00 H new ATOM 0 HA ASP A 72 -13.432 -23.076 -16.505 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -15.582 -23.414 -17.698 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -15.833 -21.682 -17.792 1.00 0.00 H new ATOM 1180 N GLU A 73 -13.902 -19.816 -16.311 1.00 0.00 N ATOM 1181 CA GLU A 73 -13.167 -18.553 -16.317 1.00 0.00 C ATOM 1182 C GLU A 73 -12.227 -18.481 -15.114 1.00 0.00 C ATOM 1183 O GLU A 73 -11.101 -17.992 -15.239 1.00 0.00 O ATOM 1184 CB GLU A 73 -14.128 -17.349 -16.301 1.00 0.00 C ATOM 1185 CG GLU A 73 -14.753 -17.056 -17.674 1.00 0.00 C ATOM 1186 CD GLU A 73 -13.756 -16.559 -18.747 1.00 0.00 C ATOM 1187 OE1 GLU A 73 -12.543 -16.402 -18.473 1.00 0.00 O ATOM 1188 OE2 GLU A 73 -14.196 -16.318 -19.896 1.00 0.00 O ATOM 0 H GLU A 73 -14.856 -19.744 -15.957 1.00 0.00 H new ATOM 0 HA GLU A 73 -12.581 -18.512 -17.235 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -14.923 -17.536 -15.579 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -13.588 -16.466 -15.959 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -15.236 -17.963 -18.039 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -15.535 -16.307 -17.549 1.00 0.00 H new ATOM 1195 N CYS A 74 -12.660 -18.999 -13.963 1.00 0.00 N ATOM 1196 CA CYS A 74 -11.960 -18.871 -12.689 1.00 0.00 C ATOM 1197 C CYS A 74 -10.729 -19.789 -12.557 1.00 0.00 C ATOM 1198 O CYS A 74 -10.226 -19.988 -11.454 1.00 0.00 O ATOM 1199 CB CYS A 74 -12.950 -19.070 -11.535 1.00 0.00 C ATOM 1200 SG CYS A 74 -14.325 -17.884 -11.673 1.00 0.00 S ATOM 0 H CYS A 74 -13.527 -19.531 -13.892 1.00 0.00 H new ATOM 0 HA CYS A 74 -11.554 -17.860 -12.646 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -13.337 -20.089 -11.550 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -12.439 -18.936 -10.581 1.00 0.00 H new ATOM 0 HG CYS A 74 -15.159 -18.291 -12.583 1.00 0.00 H new ATOM 1206 N LEU A 75 -10.236 -20.359 -13.660 1.00 0.00 N ATOM 1207 CA LEU A 75 -9.080 -21.258 -13.713 1.00 0.00 C ATOM 1208 C LEU A 75 -7.746 -20.512 -13.563 1.00 0.00 C ATOM 1209 O LEU A 75 -6.700 -21.151 -13.450 1.00 0.00 O ATOM 1210 CB LEU A 75 -9.073 -22.022 -15.064 1.00 0.00 C ATOM 1211 CG LEU A 75 -9.300 -23.544 -14.994 1.00 0.00 C ATOM 1212 CD1 LEU A 75 -8.353 -24.241 -14.013 1.00 0.00 C ATOM 1213 CD2 LEU A 75 -10.747 -23.896 -14.658 1.00 0.00 C ATOM 0 H LEU A 75 -10.649 -20.200 -14.579 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.176 -21.948 -12.875 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -9.843 -21.591 -15.704 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.116 -21.842 -15.553 1.00 0.00 H new ATOM 0 HG LEU A 75 -9.077 -23.915 -15.994 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.560 -25.311 -14.006 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -7.321 -24.073 -14.321 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -8.503 -23.836 -13.012 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -10.858 -24.980 -14.620 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -11.010 -23.470 -13.690 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -11.408 -23.490 -15.424 1.00 0.00 H new ATOM 1225 N LYS A 76 -7.769 -19.175 -13.599 1.00 0.00 N ATOM 1226 CA LYS A 76 -6.571 -18.336 -13.697 1.00 0.00 C ATOM 1227 C LYS A 76 -6.622 -17.123 -12.772 1.00 0.00 C ATOM 1228 O LYS A 76 -5.588 -16.715 -12.248 1.00 0.00 O ATOM 1229 CB LYS A 76 -6.390 -17.905 -15.171 1.00 0.00 C ATOM 1230 CG LYS A 76 -7.588 -17.112 -15.740 1.00 0.00 C ATOM 1231 CD LYS A 76 -7.506 -16.904 -17.258 1.00 0.00 C ATOM 1232 CE LYS A 76 -8.770 -16.216 -17.806 1.00 0.00 C ATOM 1233 NZ LYS A 76 -9.982 -17.069 -17.709 1.00 0.00 N ATOM 0 H LYS A 76 -8.635 -18.638 -13.560 1.00 0.00 H new ATOM 0 HA LYS A 76 -5.713 -18.922 -13.369 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -5.490 -17.295 -15.254 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -6.231 -18.793 -15.783 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -8.512 -17.639 -15.501 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -7.639 -16.140 -15.248 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -6.630 -16.300 -17.496 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -7.373 -17.867 -17.751 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -8.940 -15.289 -17.258 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -8.606 -15.944 -18.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.782 -16.589 -18.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -9.806 -17.978 -18.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.208 -17.238 -16.708 1.00 0.00 H new ATOM 1247 N ASP A 77 -7.804 -16.555 -12.555 1.00 0.00 N ATOM 1248 CA ASP A 77 -8.025 -15.321 -11.802 1.00 0.00 C ATOM 1249 C ASP A 77 -9.478 -15.374 -11.336 1.00 0.00 C ATOM 1250 O ASP A 77 -10.266 -16.117 -11.925 1.00 0.00 O ATOM 1251 CB ASP A 77 -7.771 -14.113 -12.720 1.00 0.00 C ATOM 1252 CG ASP A 77 -8.016 -12.752 -12.047 1.00 0.00 C ATOM 1253 OD1 ASP A 77 -7.856 -12.640 -10.813 1.00 0.00 O ATOM 1254 OD2 ASP A 77 -8.313 -11.778 -12.773 1.00 0.00 O ATOM 0 H ASP A 77 -8.671 -16.957 -12.913 1.00 0.00 H new ATOM 0 HA ASP A 77 -7.353 -15.222 -10.949 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -6.741 -14.150 -13.076 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -8.414 -14.194 -13.596 1.00 0.00 H new ATOM 1259 N MET A 78 -9.851 -14.668 -10.272 1.00 0.00 N ATOM 1260 CA MET A 78 -11.211 -14.749 -9.738 1.00 0.00 C ATOM 1261 C MET A 78 -12.112 -13.773 -10.502 1.00 0.00 C ATOM 1262 O MET A 78 -11.796 -12.585 -10.612 1.00 0.00 O ATOM 1263 CB MET A 78 -11.222 -14.468 -8.229 1.00 0.00 C ATOM 1264 CG MET A 78 -10.454 -15.516 -7.405 1.00 0.00 C ATOM 1265 SD MET A 78 -11.084 -17.223 -7.452 1.00 0.00 S ATOM 1266 CE MET A 78 -9.969 -17.982 -8.667 1.00 0.00 C ATOM 0 H MET A 78 -9.234 -14.035 -9.763 1.00 0.00 H new ATOM 0 HA MET A 78 -11.597 -15.759 -9.876 1.00 0.00 H new ATOM 0 HB2 MET A 78 -10.788 -13.485 -8.047 1.00 0.00 H new ATOM 0 HB3 MET A 78 -12.255 -14.430 -7.882 1.00 0.00 H new ATOM 0 HG2 MET A 78 -9.420 -15.526 -7.749 1.00 0.00 H new ATOM 0 HG3 MET A 78 -10.441 -15.188 -6.366 1.00 0.00 H new ATOM 0 HE1 MET A 78 -10.140 -19.058 -8.696 1.00 0.00 H new ATOM 0 HE2 MET A 78 -10.162 -17.558 -9.652 1.00 0.00 H new ATOM 0 HE3 MET A 78 -8.935 -17.787 -8.384 1.00 0.00 H new ATOM 1276 N TYR A 79 -13.260 -14.254 -10.987 1.00 0.00 N ATOM 1277 CA TYR A 79 -14.191 -13.485 -11.809 1.00 0.00 C ATOM 1278 C TYR A 79 -15.599 -13.587 -11.231 1.00 0.00 C ATOM 1279 O TYR A 79 -15.945 -14.582 -10.588 1.00 0.00 O ATOM 1280 CB TYR A 79 -14.198 -14.031 -13.244 1.00 0.00 C ATOM 1281 CG TYR A 79 -12.960 -13.760 -14.068 1.00 0.00 C ATOM 1282 CD1 TYR A 79 -12.843 -12.555 -14.786 1.00 0.00 C ATOM 1283 CD2 TYR A 79 -11.958 -14.741 -14.177 1.00 0.00 C ATOM 1284 CE1 TYR A 79 -11.731 -12.331 -15.615 1.00 0.00 C ATOM 1285 CE2 TYR A 79 -10.836 -14.518 -14.990 1.00 0.00 C ATOM 1286 CZ TYR A 79 -10.715 -13.312 -15.716 1.00 0.00 C ATOM 1287 OH TYR A 79 -9.629 -13.119 -16.516 1.00 0.00 O ATOM 0 H TYR A 79 -13.572 -15.209 -10.814 1.00 0.00 H new ATOM 0 HA TYR A 79 -13.872 -12.443 -11.817 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -14.350 -15.109 -13.199 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -15.056 -13.609 -13.767 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -13.611 -11.800 -14.699 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -12.052 -15.669 -13.633 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -11.651 -11.411 -16.175 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -10.064 -15.270 -15.061 1.00 0.00 H new ATOM 0 HH TYR A 79 -8.811 -13.302 -16.007 1.00 0.00 H new ATOM 1297 N VAL A 80 -16.429 -12.583 -11.502 1.00 0.00 N ATOM 1298 CA VAL A 80 -17.782 -12.471 -10.973 1.00 0.00 C ATOM 1299 C VAL A 80 -18.711 -11.972 -12.077 1.00 0.00 C ATOM 1300 O VAL A 80 -18.303 -11.176 -12.924 1.00 0.00 O ATOM 1301 CB VAL A 80 -17.808 -11.546 -9.735 1.00 0.00 C ATOM 1302 CG1 VAL A 80 -17.276 -12.246 -8.475 1.00 0.00 C ATOM 1303 CG2 VAL A 80 -17.031 -10.229 -9.924 1.00 0.00 C ATOM 0 H VAL A 80 -16.171 -11.806 -12.111 1.00 0.00 H new ATOM 0 HA VAL A 80 -18.132 -13.450 -10.644 1.00 0.00 H new ATOM 0 HB VAL A 80 -18.863 -11.304 -9.609 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -17.314 -11.556 -7.632 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -17.891 -13.119 -8.257 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -16.245 -12.560 -8.641 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -17.096 -9.634 -9.013 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -15.986 -10.451 -10.139 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -17.461 -9.669 -10.754 1.00 0.00 H new ATOM 1313 N GLU A 81 -19.959 -12.436 -12.077 1.00 0.00 N ATOM 1314 CA GLU A 81 -20.996 -11.883 -12.936 1.00 0.00 C ATOM 1315 C GLU A 81 -21.480 -10.597 -12.275 1.00 0.00 C ATOM 1316 O GLU A 81 -21.616 -10.535 -11.048 1.00 0.00 O ATOM 1317 CB GLU A 81 -22.159 -12.872 -13.100 1.00 0.00 C ATOM 1318 CG GLU A 81 -21.749 -14.119 -13.893 1.00 0.00 C ATOM 1319 CD GLU A 81 -22.962 -15.012 -14.209 1.00 0.00 C ATOM 1320 OE1 GLU A 81 -23.415 -15.775 -13.326 1.00 0.00 O ATOM 1321 OE2 GLU A 81 -23.465 -14.976 -15.355 1.00 0.00 O ATOM 0 H GLU A 81 -20.276 -13.203 -11.483 1.00 0.00 H new ATOM 0 HA GLU A 81 -20.602 -11.687 -13.933 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -22.521 -13.171 -12.116 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -22.987 -12.376 -13.607 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -21.266 -13.818 -14.823 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -21.015 -14.689 -13.323 1.00 0.00 H new ATOM 1328 N VAL A 82 -21.749 -9.572 -13.076 1.00 0.00 N ATOM 1329 CA VAL A 82 -22.069 -8.242 -12.589 1.00 0.00 C ATOM 1330 C VAL A 82 -23.160 -7.645 -13.455 1.00 0.00 C ATOM 1331 O VAL A 82 -23.101 -7.734 -14.679 1.00 0.00 O ATOM 1332 CB VAL A 82 -20.819 -7.337 -12.581 1.00 0.00 C ATOM 1333 CG1 VAL A 82 -19.914 -7.654 -11.388 1.00 0.00 C ATOM 1334 CG2 VAL A 82 -19.979 -7.393 -13.868 1.00 0.00 C ATOM 0 H VAL A 82 -21.750 -9.646 -14.093 1.00 0.00 H new ATOM 0 HA VAL A 82 -22.423 -8.315 -11.561 1.00 0.00 H new ATOM 0 HB VAL A 82 -21.218 -6.326 -12.505 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -19.042 -7.001 -11.409 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -20.465 -7.494 -10.461 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -19.590 -8.693 -11.443 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -19.122 -6.726 -13.772 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -19.629 -8.413 -14.030 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -20.590 -7.080 -14.715 1.00 0.00 H new ATOM 1344 N ALA A 83 -24.138 -7.010 -12.821 1.00 0.00 N ATOM 1345 CA ALA A 83 -25.131 -6.211 -13.517 1.00 0.00 C ATOM 1346 C ALA A 83 -24.695 -4.758 -13.395 1.00 0.00 C ATOM 1347 O ALA A 83 -24.304 -4.316 -12.309 1.00 0.00 O ATOM 1348 CB ALA A 83 -26.518 -6.456 -12.929 1.00 0.00 C ATOM 0 H ALA A 83 -24.263 -7.036 -11.809 1.00 0.00 H new ATOM 0 HA ALA A 83 -25.200 -6.483 -14.570 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -27.251 -5.850 -13.461 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -26.776 -7.510 -13.031 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -26.519 -6.183 -11.874 1.00 0.00 H new ATOM 1354 N ASP A 84 -24.729 -4.020 -14.503 1.00 0.00 N ATOM 1355 CA ASP A 84 -24.194 -2.664 -14.592 1.00 0.00 C ATOM 1356 C ASP A 84 -25.217 -1.663 -14.070 1.00 0.00 C ATOM 1357 O ASP A 84 -25.804 -0.892 -14.828 1.00 0.00 O ATOM 1358 CB ASP A 84 -23.776 -2.354 -16.034 1.00 0.00 C ATOM 1359 CG ASP A 84 -23.179 -0.950 -16.204 1.00 0.00 C ATOM 1360 OD1 ASP A 84 -22.908 -0.256 -15.201 1.00 0.00 O ATOM 1361 OD2 ASP A 84 -22.925 -0.554 -17.363 1.00 0.00 O ATOM 0 H ASP A 84 -25.135 -4.353 -15.377 1.00 0.00 H new ATOM 0 HA ASP A 84 -23.304 -2.583 -13.968 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -23.045 -3.094 -16.360 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -24.644 -2.454 -16.686 1.00 0.00 H new ATOM 1366 N ILE A 85 -25.489 -1.701 -12.770 1.00 0.00 N ATOM 1367 CA ILE A 85 -26.422 -0.786 -12.109 1.00 0.00 C ATOM 1368 C ILE A 85 -26.009 0.694 -12.238 1.00 0.00 C ATOM 1369 O ILE A 85 -26.811 1.578 -11.933 1.00 0.00 O ATOM 1370 CB ILE A 85 -26.673 -1.218 -10.646 1.00 0.00 C ATOM 1371 CG1 ILE A 85 -25.422 -1.089 -9.753 1.00 0.00 C ATOM 1372 CG2 ILE A 85 -27.246 -2.648 -10.621 1.00 0.00 C ATOM 1373 CD1 ILE A 85 -25.694 -1.339 -8.263 1.00 0.00 C ATOM 0 H ILE A 85 -25.064 -2.376 -12.134 1.00 0.00 H new ATOM 0 HA ILE A 85 -27.373 -0.857 -12.636 1.00 0.00 H new ATOM 0 HB ILE A 85 -27.404 -0.531 -10.219 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -24.667 -1.795 -10.098 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -25.003 -0.090 -9.873 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -27.422 -2.951 -9.589 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -28.186 -2.673 -11.172 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -26.536 -3.333 -11.084 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -24.767 -1.230 -7.701 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -26.425 -0.616 -7.900 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -26.084 -2.348 -8.129 1.00 0.00 H new ATOM 1385 N GLY A 86 -24.790 0.975 -12.709 1.00 0.00 N ATOM 1386 CA GLY A 86 -24.285 2.316 -12.952 1.00 0.00 C ATOM 1387 C GLY A 86 -24.507 2.794 -14.392 1.00 0.00 C ATOM 1388 O GLY A 86 -24.342 3.990 -14.643 1.00 0.00 O ATOM 0 H GLY A 86 -24.112 0.248 -12.936 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -24.772 3.010 -12.267 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -23.219 2.342 -12.728 1.00 0.00 H new ATOM 1392 N GLY A 87 -24.883 1.913 -15.331 1.00 0.00 N ATOM 1393 CA GLY A 87 -24.904 2.238 -16.758 1.00 0.00 C ATOM 1394 C GLY A 87 -26.037 1.610 -17.573 1.00 0.00 C ATOM 1395 O GLY A 87 -26.392 2.167 -18.613 1.00 0.00 O ATOM 0 H GLY A 87 -25.179 0.960 -15.120 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -24.965 3.321 -16.863 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -23.954 1.929 -17.195 1.00 0.00 H new ATOM 1399 N LYS A 88 -26.634 0.499 -17.126 1.00 0.00 N ATOM 1400 CA LYS A 88 -27.697 -0.213 -17.848 1.00 0.00 C ATOM 1401 C LYS A 88 -28.806 -0.663 -16.905 1.00 0.00 C ATOM 1402 O LYS A 88 -29.971 -0.593 -17.286 1.00 0.00 O ATOM 1403 CB LYS A 88 -27.132 -1.458 -18.565 1.00 0.00 C ATOM 1404 CG LYS A 88 -26.128 -1.182 -19.698 1.00 0.00 C ATOM 1405 CD LYS A 88 -26.702 -0.437 -20.916 1.00 0.00 C ATOM 1406 CE LYS A 88 -27.809 -1.236 -21.623 1.00 0.00 C ATOM 1407 NZ LYS A 88 -28.306 -0.547 -22.841 1.00 0.00 N ATOM 0 H LYS A 88 -26.389 0.062 -16.238 1.00 0.00 H new ATOM 0 HA LYS A 88 -28.106 0.485 -18.579 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -26.648 -2.092 -17.823 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -27.966 -2.027 -18.975 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -25.300 -0.600 -19.294 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -25.715 -2.133 -20.035 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -27.101 0.525 -20.595 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -25.899 -0.230 -21.623 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -27.428 -2.220 -21.894 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -28.638 -1.394 -20.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -29.051 -1.121 -23.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -28.694 0.382 -22.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -27.522 -0.419 -23.512 1.00 0.00 H new ATOM 1421 N ASP A 89 -28.448 -1.142 -15.709 1.00 0.00 N ATOM 1422 CA ASP A 89 -29.271 -1.796 -14.681 1.00 0.00 C ATOM 1423 C ASP A 89 -29.975 -3.088 -15.129 1.00 0.00 C ATOM 1424 O ASP A 89 -30.163 -3.993 -14.317 1.00 0.00 O ATOM 1425 CB ASP A 89 -30.256 -0.797 -14.056 1.00 0.00 C ATOM 1426 CG ASP A 89 -31.138 -1.452 -12.981 1.00 0.00 C ATOM 1427 OD1 ASP A 89 -30.663 -1.644 -11.840 1.00 0.00 O ATOM 1428 OD2 ASP A 89 -32.329 -1.725 -13.253 1.00 0.00 O ATOM 0 H ASP A 89 -27.477 -1.075 -15.404 1.00 0.00 H new ATOM 0 HA ASP A 89 -28.567 -2.129 -13.919 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -29.701 0.031 -13.614 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -30.889 -0.376 -14.837 1.00 0.00 H new ATOM 1433 N ASP A 90 -30.300 -3.219 -16.414 1.00 0.00 N ATOM 1434 CA ASP A 90 -31.109 -4.298 -16.984 1.00 0.00 C ATOM 1435 C ASP A 90 -30.255 -5.308 -17.767 1.00 0.00 C ATOM 1436 O ASP A 90 -30.790 -6.225 -18.391 1.00 0.00 O ATOM 1437 CB ASP A 90 -32.172 -3.658 -17.888 1.00 0.00 C ATOM 1438 CG ASP A 90 -33.212 -4.667 -18.409 1.00 0.00 C ATOM 1439 OD1 ASP A 90 -33.882 -5.337 -17.589 1.00 0.00 O ATOM 1440 OD2 ASP A 90 -33.423 -4.745 -19.641 1.00 0.00 O ATOM 0 H ASP A 90 -29.994 -2.547 -17.118 1.00 0.00 H new ATOM 0 HA ASP A 90 -31.581 -4.862 -16.179 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -32.684 -2.871 -17.335 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -31.680 -3.183 -18.736 1.00 0.00 H new ATOM 1445 N ASP A 91 -28.925 -5.161 -17.743 1.00 0.00 N ATOM 1446 CA ASP A 91 -27.996 -6.051 -18.447 1.00 0.00 C ATOM 1447 C ASP A 91 -26.822 -6.442 -17.552 1.00 0.00 C ATOM 1448 O ASP A 91 -26.527 -5.774 -16.554 1.00 0.00 O ATOM 1449 CB ASP A 91 -27.502 -5.420 -19.758 1.00 0.00 C ATOM 1450 CG ASP A 91 -26.884 -6.436 -20.740 1.00 0.00 C ATOM 1451 OD1 ASP A 91 -27.128 -7.657 -20.613 1.00 0.00 O ATOM 1452 OD2 ASP A 91 -26.178 -6.004 -21.678 1.00 0.00 O ATOM 0 H ASP A 91 -28.459 -4.413 -17.229 1.00 0.00 H new ATOM 0 HA ASP A 91 -28.541 -6.960 -18.701 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -28.337 -4.918 -20.246 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -26.761 -4.655 -19.526 1.00 0.00 H new ATOM 1457 N VAL A 92 -26.151 -7.522 -17.942 1.00 0.00 N ATOM 1458 CA VAL A 92 -25.148 -8.237 -17.164 1.00 0.00 C ATOM 1459 C VAL A 92 -23.896 -8.486 -18.020 1.00 0.00 C ATOM 1460 O VAL A 92 -23.983 -8.700 -19.233 1.00 0.00 O ATOM 1461 CB VAL A 92 -25.774 -9.563 -16.651 1.00 0.00 C ATOM 1462 CG1 VAL A 92 -24.843 -10.381 -15.742 1.00 0.00 C ATOM 1463 CG2 VAL A 92 -27.085 -9.328 -15.877 1.00 0.00 C ATOM 0 H VAL A 92 -26.302 -7.943 -18.859 1.00 0.00 H new ATOM 0 HA VAL A 92 -24.835 -7.644 -16.305 1.00 0.00 H new ATOM 0 HB VAL A 92 -25.962 -10.129 -17.563 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -25.352 -11.291 -15.425 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -23.938 -10.643 -16.290 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -24.578 -9.790 -14.866 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -27.484 -10.284 -15.539 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -26.889 -8.691 -15.014 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -27.811 -8.842 -16.529 1.00 0.00 H new ATOM 1473 N TYR A 93 -22.741 -8.487 -17.356 1.00 0.00 N ATOM 1474 CA TYR A 93 -21.406 -8.719 -17.893 1.00 0.00 C ATOM 1475 C TYR A 93 -20.630 -9.592 -16.889 1.00 0.00 C ATOM 1476 O TYR A 93 -21.192 -10.049 -15.888 1.00 0.00 O ATOM 1477 CB TYR A 93 -20.704 -7.361 -18.103 1.00 0.00 C ATOM 1478 CG TYR A 93 -21.440 -6.374 -18.992 1.00 0.00 C ATOM 1479 CD1 TYR A 93 -21.230 -6.388 -20.385 1.00 0.00 C ATOM 1480 CD2 TYR A 93 -22.320 -5.430 -18.426 1.00 0.00 C ATOM 1481 CE1 TYR A 93 -21.887 -5.457 -21.209 1.00 0.00 C ATOM 1482 CE2 TYR A 93 -22.986 -4.499 -19.244 1.00 0.00 C ATOM 1483 CZ TYR A 93 -22.764 -4.504 -20.642 1.00 0.00 C ATOM 1484 OH TYR A 93 -23.370 -3.590 -21.451 1.00 0.00 O ATOM 0 H TYR A 93 -22.715 -8.312 -16.351 1.00 0.00 H new ATOM 0 HA TYR A 93 -21.453 -9.232 -18.853 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -20.547 -6.898 -17.129 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -19.718 -7.544 -18.531 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -20.562 -7.116 -20.821 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -22.484 -5.421 -17.359 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -21.721 -5.470 -22.276 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -23.665 -3.782 -18.806 1.00 0.00 H new ATOM 0 HH TYR A 93 -23.943 -3.005 -20.912 1.00 0.00 H new ATOM 1494 N THR A 94 -19.331 -9.789 -17.117 1.00 0.00 N ATOM 1495 CA THR A 94 -18.417 -10.418 -16.167 1.00 0.00 C ATOM 1496 C THR A 94 -17.321 -9.398 -15.844 1.00 0.00 C ATOM 1497 O THR A 94 -16.943 -8.599 -16.705 1.00 0.00 O ATOM 1498 CB THR A 94 -17.860 -11.723 -16.769 1.00 0.00 C ATOM 1499 OG1 THR A 94 -18.928 -12.598 -17.085 1.00 0.00 O ATOM 1500 CG2 THR A 94 -16.891 -12.471 -15.840 1.00 0.00 C ATOM 0 H THR A 94 -18.877 -9.509 -17.986 1.00 0.00 H new ATOM 0 HA THR A 94 -18.920 -10.697 -15.241 1.00 0.00 H new ATOM 0 HB THR A 94 -17.302 -11.426 -17.657 1.00 0.00 H new ATOM 0 HG1 THR A 94 -18.570 -13.426 -17.469 1.00 0.00 H new ATOM 0 HG21 THR A 94 -16.542 -13.378 -16.333 1.00 0.00 H new ATOM 0 HG22 THR A 94 -16.039 -11.831 -15.612 1.00 0.00 H new ATOM 0 HG23 THR A 94 -17.404 -12.735 -14.915 1.00 0.00 H new ATOM 1508 N ALA A 95 -16.812 -9.441 -14.612 1.00 0.00 N ATOM 1509 CA ALA A 95 -15.751 -8.581 -14.119 1.00 0.00 C ATOM 1510 C ALA A 95 -14.741 -9.410 -13.343 1.00 0.00 C ATOM 1511 O ALA A 95 -15.064 -10.464 -12.794 1.00 0.00 O ATOM 1512 CB ALA A 95 -16.334 -7.486 -13.222 1.00 0.00 C ATOM 0 H ALA A 95 -17.144 -10.102 -13.909 1.00 0.00 H new ATOM 0 HA ALA A 95 -15.252 -8.109 -14.965 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -15.529 -6.847 -12.858 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -17.043 -6.887 -13.793 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -16.845 -7.943 -12.375 1.00 0.00 H new ATOM 1518 N LYS A 96 -13.511 -8.912 -13.277 1.00 0.00 N ATOM 1519 CA LYS A 96 -12.485 -9.460 -12.406 1.00 0.00 C ATOM 1520 C LYS A 96 -12.898 -9.065 -10.993 1.00 0.00 C ATOM 1521 O LYS A 96 -13.061 -7.871 -10.732 1.00 0.00 O ATOM 1522 CB LYS A 96 -11.134 -8.826 -12.769 1.00 0.00 C ATOM 1523 CG LYS A 96 -10.630 -9.129 -14.194 1.00 0.00 C ATOM 1524 CD LYS A 96 -9.767 -7.979 -14.746 1.00 0.00 C ATOM 1525 CE LYS A 96 -10.651 -6.862 -15.336 1.00 0.00 C ATOM 1526 NZ LYS A 96 -9.896 -5.622 -15.648 1.00 0.00 N ATOM 0 H LYS A 96 -13.199 -8.113 -13.830 1.00 0.00 H new ATOM 0 HA LYS A 96 -12.385 -10.541 -12.500 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -11.214 -7.745 -12.651 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -10.386 -9.170 -12.055 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -10.048 -10.050 -14.186 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -11.481 -9.295 -14.854 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -9.143 -7.572 -13.950 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -9.094 -8.360 -15.514 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -11.128 -7.227 -16.245 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -11.448 -6.627 -14.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -10.282 -5.188 -16.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -9.983 -4.954 -14.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -8.893 -5.854 -15.796 1.00 0.00 H new ATOM 1540 N LEU A 97 -13.027 -10.015 -10.065 1.00 0.00 N ATOM 1541 CA LEU A 97 -13.204 -9.664 -8.653 1.00 0.00 C ATOM 1542 C LEU A 97 -11.985 -8.862 -8.183 1.00 0.00 C ATOM 1543 O LEU A 97 -12.108 -7.885 -7.450 1.00 0.00 O ATOM 1544 CB LEU A 97 -13.380 -10.933 -7.810 1.00 0.00 C ATOM 1545 CG LEU A 97 -13.551 -10.645 -6.304 1.00 0.00 C ATOM 1546 CD1 LEU A 97 -14.800 -9.804 -6.006 1.00 0.00 C ATOM 1547 CD2 LEU A 97 -13.633 -11.981 -5.568 1.00 0.00 C ATOM 0 H LEU A 97 -13.013 -11.016 -10.259 1.00 0.00 H new ATOM 0 HA LEU A 97 -14.100 -9.056 -8.533 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -14.251 -11.482 -8.169 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -12.514 -11.579 -7.953 1.00 0.00 H new ATOM 0 HG LEU A 97 -12.694 -10.063 -5.964 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -14.874 -9.630 -4.933 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -14.727 -8.848 -6.525 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -15.687 -10.336 -6.349 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -13.754 -11.801 -4.500 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -14.486 -12.549 -5.939 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -12.717 -12.547 -5.739 1.00 0.00 H new ATOM 1559 N SER A 98 -10.821 -9.249 -8.698 1.00 0.00 N ATOM 1560 CA SER A 98 -9.517 -8.619 -8.596 1.00 0.00 C ATOM 1561 C SER A 98 -9.492 -7.143 -9.039 1.00 0.00 C ATOM 1562 O SER A 98 -8.495 -6.463 -8.793 1.00 0.00 O ATOM 1563 CB SER A 98 -8.576 -9.479 -9.455 1.00 0.00 C ATOM 1564 OG SER A 98 -8.859 -10.854 -9.225 1.00 0.00 O ATOM 0 H SER A 98 -10.768 -10.102 -9.255 1.00 0.00 H new ATOM 0 HA SER A 98 -9.209 -8.578 -7.551 1.00 0.00 H new ATOM 0 HB2 SER A 98 -8.707 -9.240 -10.510 1.00 0.00 H new ATOM 0 HB3 SER A 98 -7.537 -9.263 -9.206 1.00 0.00 H new ATOM 0 HG SER A 98 -8.652 -11.370 -10.032 1.00 0.00 H new ATOM 1570 N ASP A 99 -10.558 -6.633 -9.673 1.00 0.00 N ATOM 1571 CA ASP A 99 -10.656 -5.252 -10.164 1.00 0.00 C ATOM 1572 C ASP A 99 -11.903 -4.541 -9.614 1.00 0.00 C ATOM 1573 O ASP A 99 -12.290 -3.467 -10.076 1.00 0.00 O ATOM 1574 CB ASP A 99 -10.615 -5.288 -11.699 1.00 0.00 C ATOM 1575 CG ASP A 99 -10.258 -3.968 -12.390 1.00 0.00 C ATOM 1576 OD1 ASP A 99 -9.523 -3.134 -11.819 1.00 0.00 O ATOM 1577 OD2 ASP A 99 -10.613 -3.861 -13.590 1.00 0.00 O ATOM 0 H ASP A 99 -11.396 -7.183 -9.863 1.00 0.00 H new ATOM 0 HA ASP A 99 -9.813 -4.663 -9.803 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -9.892 -6.044 -12.006 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -11.590 -5.614 -12.062 1.00 0.00 H new ATOM 1582 N ILE A 100 -12.529 -5.140 -8.600 1.00 0.00 N ATOM 1583 CA ILE A 100 -13.722 -4.641 -7.928 1.00 0.00 C ATOM 1584 C ILE A 100 -13.368 -4.272 -6.487 1.00 0.00 C ATOM 1585 O ILE A 100 -12.437 -4.805 -5.879 1.00 0.00 O ATOM 1586 CB ILE A 100 -14.879 -5.675 -8.072 1.00 0.00 C ATOM 1587 CG1 ILE A 100 -15.684 -5.317 -9.339 1.00 0.00 C ATOM 1588 CG2 ILE A 100 -15.833 -5.804 -6.864 1.00 0.00 C ATOM 1589 CD1 ILE A 100 -16.751 -6.334 -9.746 1.00 0.00 C ATOM 0 H ILE A 100 -12.202 -6.024 -8.210 1.00 0.00 H new ATOM 0 HA ILE A 100 -14.090 -3.727 -8.393 1.00 0.00 H new ATOM 0 HB ILE A 100 -14.401 -6.653 -8.136 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -16.167 -4.352 -9.182 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -14.988 -5.194 -10.169 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -16.596 -6.552 -7.081 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -15.266 -6.108 -5.984 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -16.311 -4.843 -6.674 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -17.258 -5.988 -10.647 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -16.280 -7.297 -9.942 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -17.477 -6.442 -8.940 1.00 0.00 H new ATOM 1601 N GLU A 101 -14.168 -3.359 -5.951 1.00 0.00 N ATOM 1602 CA GLU A 101 -14.161 -2.912 -4.571 1.00 0.00 C ATOM 1603 C GLU A 101 -15.553 -3.234 -4.034 1.00 0.00 C ATOM 1604 O GLU A 101 -16.550 -2.758 -4.579 1.00 0.00 O ATOM 1605 CB GLU A 101 -13.832 -1.412 -4.535 1.00 0.00 C ATOM 1606 CG GLU A 101 -13.939 -0.813 -3.127 1.00 0.00 C ATOM 1607 CD GLU A 101 -13.347 0.608 -3.062 1.00 0.00 C ATOM 1608 OE1 GLU A 101 -13.749 1.489 -3.857 1.00 0.00 O ATOM 1609 OE2 GLU A 101 -12.471 0.859 -2.201 1.00 0.00 O ATOM 0 H GLU A 101 -14.881 -2.884 -6.505 1.00 0.00 H new ATOM 0 HA GLU A 101 -13.408 -3.402 -3.954 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -12.822 -1.257 -4.915 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -14.509 -0.880 -5.203 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -14.985 -0.785 -2.823 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -13.418 -1.456 -2.418 1.00 0.00 H new ATOM 1616 N ALA A 102 -15.626 -4.094 -3.018 1.00 0.00 N ATOM 1617 CA ALA A 102 -16.888 -4.570 -2.481 1.00 0.00 C ATOM 1618 C ALA A 102 -17.497 -3.504 -1.572 1.00 0.00 C ATOM 1619 O ALA A 102 -16.793 -2.896 -0.761 1.00 0.00 O ATOM 1620 CB ALA A 102 -16.642 -5.859 -1.700 1.00 0.00 C ATOM 0 H ALA A 102 -14.806 -4.477 -2.547 1.00 0.00 H new ATOM 0 HA ALA A 102 -17.585 -4.771 -3.294 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -17.585 -6.223 -1.293 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -16.218 -6.612 -2.365 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -15.946 -5.663 -0.884 1.00 0.00 H new ATOM 1626 N ILE A 103 -18.809 -3.310 -1.689 1.00 0.00 N ATOM 1627 CA ILE A 103 -19.566 -2.298 -0.961 1.00 0.00 C ATOM 1628 C ILE A 103 -20.770 -2.985 -0.302 1.00 0.00 C ATOM 1629 O ILE A 103 -21.452 -3.800 -0.924 1.00 0.00 O ATOM 1630 CB ILE A 103 -19.952 -1.167 -1.949 1.00 0.00 C ATOM 1631 CG1 ILE A 103 -18.688 -0.391 -2.394 1.00 0.00 C ATOM 1632 CG2 ILE A 103 -20.990 -0.193 -1.360 1.00 0.00 C ATOM 1633 CD1 ILE A 103 -18.924 0.592 -3.544 1.00 0.00 C ATOM 0 H ILE A 103 -19.391 -3.870 -2.312 1.00 0.00 H new ATOM 0 HA ILE A 103 -18.986 -1.833 -0.164 1.00 0.00 H new ATOM 0 HB ILE A 103 -20.414 -1.644 -2.813 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -18.293 0.157 -1.539 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -17.923 -1.107 -2.695 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -21.223 0.578 -2.094 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -21.899 -0.739 -1.106 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -20.584 0.272 -0.462 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -17.988 1.093 -3.793 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -19.289 0.050 -4.417 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -19.663 1.334 -3.242 1.00 0.00 H new ATOM 1645 N ASP A 104 -21.037 -2.630 0.961 1.00 0.00 N ATOM 1646 CA ASP A 104 -22.187 -3.090 1.758 1.00 0.00 C ATOM 1647 C ASP A 104 -22.255 -4.622 1.924 1.00 0.00 C ATOM 1648 O ASP A 104 -23.317 -5.202 2.160 1.00 0.00 O ATOM 1649 CB ASP A 104 -23.489 -2.459 1.228 1.00 0.00 C ATOM 1650 CG ASP A 104 -24.682 -2.663 2.179 1.00 0.00 C ATOM 1651 OD1 ASP A 104 -24.566 -2.356 3.388 1.00 0.00 O ATOM 1652 OD2 ASP A 104 -25.773 -3.064 1.712 1.00 0.00 O ATOM 0 H ASP A 104 -20.435 -1.989 1.478 1.00 0.00 H new ATOM 0 HA ASP A 104 -22.045 -2.734 2.778 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -23.333 -1.392 1.073 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -23.727 -2.891 0.256 1.00 0.00 H new ATOM 1657 N VAL A 105 -21.109 -5.296 1.792 1.00 0.00 N ATOM 1658 CA VAL A 105 -20.970 -6.735 1.997 1.00 0.00 C ATOM 1659 C VAL A 105 -20.957 -7.108 3.483 1.00 0.00 C ATOM 1660 O VAL A 105 -20.774 -6.260 4.362 1.00 0.00 O ATOM 1661 CB VAL A 105 -19.687 -7.250 1.311 1.00 0.00 C ATOM 1662 CG1 VAL A 105 -19.960 -7.473 -0.171 1.00 0.00 C ATOM 1663 CG2 VAL A 105 -18.461 -6.345 1.488 1.00 0.00 C ATOM 0 H VAL A 105 -20.233 -4.842 1.533 1.00 0.00 H new ATOM 0 HA VAL A 105 -21.840 -7.212 1.547 1.00 0.00 H new ATOM 0 HB VAL A 105 -19.432 -8.186 1.808 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -19.055 -7.837 -0.657 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -20.755 -8.209 -0.288 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -20.266 -6.533 -0.630 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -17.607 -6.785 0.973 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -18.671 -5.362 1.067 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -18.233 -6.245 2.549 1.00 0.00 H new ATOM 1673 N ASP A 106 -21.138 -8.405 3.745 1.00 0.00 N ATOM 1674 CA ASP A 106 -20.929 -8.992 5.068 1.00 0.00 C ATOM 1675 C ASP A 106 -19.428 -8.988 5.367 1.00 0.00 C ATOM 1676 O ASP A 106 -18.609 -8.991 4.447 1.00 0.00 O ATOM 1677 CB ASP A 106 -21.448 -10.432 5.104 1.00 0.00 C ATOM 1678 CG ASP A 106 -21.231 -11.079 6.480 1.00 0.00 C ATOM 1679 OD1 ASP A 106 -21.984 -10.751 7.424 1.00 0.00 O ATOM 1680 OD2 ASP A 106 -20.290 -11.889 6.624 1.00 0.00 O ATOM 0 H ASP A 106 -21.435 -9.080 3.040 1.00 0.00 H new ATOM 0 HA ASP A 106 -21.471 -8.409 5.813 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -22.510 -10.442 4.860 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -20.940 -11.021 4.340 1.00 0.00 H new ATOM 1685 N ASP A 107 -19.062 -9.023 6.645 1.00 0.00 N ATOM 1686 CA ASP A 107 -17.668 -9.025 7.088 1.00 0.00 C ATOM 1687 C ASP A 107 -16.880 -10.189 6.492 1.00 0.00 C ATOM 1688 O ASP A 107 -15.778 -9.972 5.996 1.00 0.00 O ATOM 1689 CB ASP A 107 -17.609 -9.078 8.616 1.00 0.00 C ATOM 1690 CG ASP A 107 -16.155 -9.138 9.114 1.00 0.00 C ATOM 1691 OD1 ASP A 107 -15.462 -8.096 9.087 1.00 0.00 O ATOM 1692 OD2 ASP A 107 -15.721 -10.210 9.592 1.00 0.00 O ATOM 0 H ASP A 107 -19.732 -9.051 7.413 1.00 0.00 H new ATOM 0 HA ASP A 107 -17.206 -8.103 6.734 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -18.103 -8.200 9.032 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -18.155 -9.951 8.974 1.00 0.00 H new ATOM 1697 N ASP A 108 -17.433 -11.405 6.471 1.00 0.00 N ATOM 1698 CA ASP A 108 -16.685 -12.570 5.989 1.00 0.00 C ATOM 1699 C ASP A 108 -16.540 -12.531 4.465 1.00 0.00 C ATOM 1700 O ASP A 108 -15.548 -13.008 3.914 1.00 0.00 O ATOM 1701 CB ASP A 108 -17.365 -13.874 6.431 1.00 0.00 C ATOM 1702 CG ASP A 108 -16.427 -15.096 6.410 1.00 0.00 C ATOM 1703 OD1 ASP A 108 -15.196 -14.955 6.591 1.00 0.00 O ATOM 1704 OD2 ASP A 108 -16.941 -16.233 6.311 1.00 0.00 O ATOM 0 H ASP A 108 -18.384 -11.608 6.778 1.00 0.00 H new ATOM 0 HA ASP A 108 -15.688 -12.536 6.429 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -17.758 -13.745 7.439 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -18.217 -14.069 5.779 1.00 0.00 H new ATOM 1709 N THR A 109 -17.507 -11.909 3.783 1.00 0.00 N ATOM 1710 CA THR A 109 -17.437 -11.652 2.351 1.00 0.00 C ATOM 1711 C THR A 109 -16.336 -10.616 2.089 1.00 0.00 C ATOM 1712 O THR A 109 -15.450 -10.867 1.271 1.00 0.00 O ATOM 1713 CB THR A 109 -18.830 -11.202 1.877 1.00 0.00 C ATOM 1714 OG1 THR A 109 -19.740 -12.264 2.058 1.00 0.00 O ATOM 1715 CG2 THR A 109 -18.923 -10.805 0.407 1.00 0.00 C ATOM 0 H THR A 109 -18.365 -11.569 4.218 1.00 0.00 H new ATOM 0 HA THR A 109 -17.171 -12.543 1.783 1.00 0.00 H new ATOM 0 HB THR A 109 -19.054 -10.316 2.472 1.00 0.00 H new ATOM 0 HG1 THR A 109 -19.896 -12.402 3.016 1.00 0.00 H new ATOM 0 HG21 THR A 109 -19.945 -10.505 0.175 1.00 0.00 H new ATOM 0 HG22 THR A 109 -18.247 -9.973 0.211 1.00 0.00 H new ATOM 0 HG23 THR A 109 -18.644 -11.654 -0.217 1.00 0.00 H new ATOM 1723 N GLN A 110 -16.342 -9.485 2.807 1.00 0.00 N ATOM 1724 CA GLN A 110 -15.347 -8.433 2.643 1.00 0.00 C ATOM 1725 C GLN A 110 -13.948 -9.002 2.885 1.00 0.00 C ATOM 1726 O GLN A 110 -13.057 -8.782 2.071 1.00 0.00 O ATOM 1727 CB GLN A 110 -15.655 -7.260 3.596 1.00 0.00 C ATOM 1728 CG GLN A 110 -15.208 -5.891 3.053 1.00 0.00 C ATOM 1729 CD GLN A 110 -13.695 -5.762 2.865 1.00 0.00 C ATOM 1730 OE1 GLN A 110 -12.931 -5.753 3.826 1.00 0.00 O ATOM 1731 NE2 GLN A 110 -13.230 -5.646 1.629 1.00 0.00 N ATOM 0 H GLN A 110 -17.043 -9.279 3.519 1.00 0.00 H new ATOM 0 HA GLN A 110 -15.384 -8.050 1.623 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -16.727 -7.232 3.790 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -15.163 -7.441 4.552 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -15.699 -5.712 2.097 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -15.547 -5.112 3.736 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -13.875 -5.655 0.839 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -12.228 -5.548 1.468 1.00 0.00 H new ATOM 1740 N GLU A 111 -13.761 -9.770 3.958 1.00 0.00 N ATOM 1741 CA GLU A 111 -12.469 -10.333 4.318 1.00 0.00 C ATOM 1742 C GLU A 111 -11.969 -11.312 3.249 1.00 0.00 C ATOM 1743 O GLU A 111 -10.773 -11.318 2.959 1.00 0.00 O ATOM 1744 CB GLU A 111 -12.567 -11.016 5.692 1.00 0.00 C ATOM 1745 CG GLU A 111 -12.669 -10.017 6.859 1.00 0.00 C ATOM 1746 CD GLU A 111 -11.325 -9.323 7.149 1.00 0.00 C ATOM 1747 OE1 GLU A 111 -10.490 -9.894 7.888 1.00 0.00 O ATOM 1748 OE2 GLU A 111 -11.094 -8.194 6.662 1.00 0.00 O ATOM 0 H GLU A 111 -14.510 -10.018 4.604 1.00 0.00 H new ATOM 0 HA GLU A 111 -11.741 -9.524 4.377 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -13.439 -11.670 5.704 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -11.692 -11.649 5.839 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -13.422 -9.264 6.626 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -13.007 -10.539 7.754 1.00 0.00 H new ATOM 1755 N ALA A 112 -12.854 -12.104 2.629 1.00 0.00 N ATOM 1756 CA ALA A 112 -12.452 -13.037 1.579 1.00 0.00 C ATOM 1757 C ALA A 112 -11.944 -12.269 0.354 1.00 0.00 C ATOM 1758 O ALA A 112 -10.890 -12.597 -0.195 1.00 0.00 O ATOM 1759 CB ALA A 112 -13.625 -13.951 1.204 1.00 0.00 C ATOM 0 H ALA A 112 -13.852 -12.114 2.840 1.00 0.00 H new ATOM 0 HA ALA A 112 -11.639 -13.661 1.952 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -13.312 -14.641 0.421 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -13.941 -14.516 2.081 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -14.457 -13.346 0.843 1.00 0.00 H new ATOM 1765 N ILE A 113 -12.678 -11.230 -0.053 1.00 0.00 N ATOM 1766 CA ILE A 113 -12.325 -10.395 -1.197 1.00 0.00 C ATOM 1767 C ILE A 113 -11.008 -9.670 -0.889 1.00 0.00 C ATOM 1768 O ILE A 113 -10.088 -9.694 -1.707 1.00 0.00 O ATOM 1769 CB ILE A 113 -13.492 -9.426 -1.512 1.00 0.00 C ATOM 1770 CG1 ILE A 113 -14.770 -10.215 -1.883 1.00 0.00 C ATOM 1771 CG2 ILE A 113 -13.123 -8.460 -2.654 1.00 0.00 C ATOM 1772 CD1 ILE A 113 -16.038 -9.360 -1.936 1.00 0.00 C ATOM 0 H ILE A 113 -13.542 -10.945 0.409 1.00 0.00 H new ATOM 0 HA ILE A 113 -12.168 -10.997 -2.092 1.00 0.00 H new ATOM 0 HB ILE A 113 -13.685 -8.839 -0.614 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -14.623 -10.688 -2.854 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -14.914 -11.015 -1.157 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -13.962 -7.793 -2.852 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -12.252 -7.872 -2.366 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -12.894 -9.031 -3.554 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -16.889 -9.987 -2.203 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -16.213 -8.907 -0.960 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -15.917 -8.576 -2.683 1.00 0.00 H new ATOM 1784 N ALA A 114 -10.895 -9.060 0.295 1.00 0.00 N ATOM 1785 CA ALA A 114 -9.717 -8.315 0.707 1.00 0.00 C ATOM 1786 C ALA A 114 -8.486 -9.214 0.706 1.00 0.00 C ATOM 1787 O ALA A 114 -7.450 -8.821 0.181 1.00 0.00 O ATOM 1788 CB ALA A 114 -9.935 -7.712 2.099 1.00 0.00 C ATOM 0 H ALA A 114 -11.633 -9.074 0.999 1.00 0.00 H new ATOM 0 HA ALA A 114 -9.551 -7.506 -0.005 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -9.046 -7.156 2.398 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -10.792 -7.040 2.074 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -10.121 -8.511 2.817 1.00 0.00 H new ATOM 1794 N ASP A 115 -8.588 -10.424 1.258 1.00 0.00 N ATOM 1795 CA ASP A 115 -7.434 -11.310 1.368 1.00 0.00 C ATOM 1796 C ASP A 115 -6.991 -11.831 0.001 1.00 0.00 C ATOM 1797 O ASP A 115 -5.792 -11.973 -0.228 1.00 0.00 O ATOM 1798 CB ASP A 115 -7.704 -12.476 2.320 1.00 0.00 C ATOM 1799 CG ASP A 115 -6.405 -13.256 2.575 1.00 0.00 C ATOM 1800 OD1 ASP A 115 -5.453 -12.684 3.150 1.00 0.00 O ATOM 1801 OD2 ASP A 115 -6.339 -14.465 2.264 1.00 0.00 O ATOM 0 H ASP A 115 -9.455 -10.809 1.633 1.00 0.00 H new ATOM 0 HA ASP A 115 -6.621 -10.715 1.784 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -8.105 -12.102 3.262 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -8.458 -13.138 1.893 1.00 0.00 H new ATOM 1806 N TRP A 116 -7.925 -12.050 -0.934 1.00 0.00 N ATOM 1807 CA TRP A 116 -7.579 -12.359 -2.318 1.00 0.00 C ATOM 1808 C TRP A 116 -6.843 -11.179 -2.964 1.00 0.00 C ATOM 1809 O TRP A 116 -5.806 -11.373 -3.602 1.00 0.00 O ATOM 1810 CB TRP A 116 -8.840 -12.719 -3.117 1.00 0.00 C ATOM 1811 CG TRP A 116 -8.625 -12.807 -4.598 1.00 0.00 C ATOM 1812 CD1 TRP A 116 -9.128 -11.949 -5.513 1.00 0.00 C ATOM 1813 CD2 TRP A 116 -7.789 -13.740 -5.352 1.00 0.00 C ATOM 1814 NE1 TRP A 116 -8.669 -12.287 -6.767 1.00 0.00 N ATOM 1815 CE2 TRP A 116 -7.847 -13.390 -6.733 1.00 0.00 C ATOM 1816 CE3 TRP A 116 -6.967 -14.835 -5.012 1.00 0.00 C ATOM 1817 CZ2 TRP A 116 -7.150 -14.106 -7.718 1.00 0.00 C ATOM 1818 CZ3 TRP A 116 -6.279 -15.574 -5.992 1.00 0.00 C ATOM 1819 CH2 TRP A 116 -6.372 -15.213 -7.346 1.00 0.00 C ATOM 0 H TRP A 116 -8.928 -12.018 -0.751 1.00 0.00 H new ATOM 0 HA TRP A 116 -6.912 -13.221 -2.326 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -9.223 -13.675 -2.759 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -9.609 -11.973 -2.917 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -9.789 -11.124 -5.294 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -8.910 -11.780 -7.619 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -6.863 -15.113 -3.974 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -7.212 -13.808 -8.754 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -5.677 -16.422 -5.702 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -5.847 -15.785 -8.097 1.00 0.00 H new ATOM 1830 N LEU A 117 -7.346 -9.952 -2.785 1.00 0.00 N ATOM 1831 CA LEU A 117 -6.718 -8.755 -3.340 1.00 0.00 C ATOM 1832 C LEU A 117 -5.305 -8.595 -2.767 1.00 0.00 C ATOM 1833 O LEU A 117 -4.368 -8.331 -3.520 1.00 0.00 O ATOM 1834 CB LEU A 117 -7.566 -7.509 -3.031 1.00 0.00 C ATOM 1835 CG LEU A 117 -8.879 -7.428 -3.834 1.00 0.00 C ATOM 1836 CD1 LEU A 117 -9.835 -6.441 -3.158 1.00 0.00 C ATOM 1837 CD2 LEU A 117 -8.632 -6.991 -5.283 1.00 0.00 C ATOM 0 H LEU A 117 -8.196 -9.765 -2.253 1.00 0.00 H new ATOM 0 HA LEU A 117 -6.651 -8.863 -4.423 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -7.802 -7.498 -1.967 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -6.972 -6.618 -3.235 1.00 0.00 H new ATOM 0 HG LEU A 117 -9.321 -8.424 -3.854 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -10.763 -6.385 -3.727 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -10.051 -6.780 -2.145 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -9.373 -5.455 -3.120 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -9.582 -6.946 -5.816 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -8.164 -6.007 -5.291 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -7.975 -7.709 -5.773 1.00 0.00 H new ATOM 1849 N TYR A 118 -5.130 -8.793 -1.456 1.00 0.00 N ATOM 1850 CA TYR A 118 -3.828 -8.734 -0.800 1.00 0.00 C ATOM 1851 C TYR A 118 -2.903 -9.811 -1.364 1.00 0.00 C ATOM 1852 O TYR A 118 -1.776 -9.499 -1.744 1.00 0.00 O ATOM 1853 CB TYR A 118 -3.972 -8.907 0.722 1.00 0.00 C ATOM 1854 CG TYR A 118 -4.783 -7.866 1.485 1.00 0.00 C ATOM 1855 CD1 TYR A 118 -4.940 -6.545 1.012 1.00 0.00 C ATOM 1856 CD2 TYR A 118 -5.378 -8.236 2.709 1.00 0.00 C ATOM 1857 CE1 TYR A 118 -5.704 -5.615 1.740 1.00 0.00 C ATOM 1858 CE2 TYR A 118 -6.143 -7.312 3.443 1.00 0.00 C ATOM 1859 CZ TYR A 118 -6.313 -5.994 2.958 1.00 0.00 C ATOM 1860 OH TYR A 118 -7.051 -5.083 3.653 1.00 0.00 O ATOM 0 H TYR A 118 -5.898 -9.000 -0.818 1.00 0.00 H new ATOM 0 HA TYR A 118 -3.393 -7.754 -0.995 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -4.422 -9.882 0.906 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -2.971 -8.932 1.152 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -4.471 -6.247 0.086 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -5.245 -9.239 3.086 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -5.826 -4.609 1.367 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -6.600 -7.608 4.376 1.00 0.00 H new ATOM 0 HH TYR A 118 -7.403 -5.500 4.467 1.00 0.00 H new ATOM 1870 N TRP A 119 -3.376 -11.057 -1.464 1.00 0.00 N ATOM 1871 CA TRP A 119 -2.621 -12.176 -2.015 1.00 0.00 C ATOM 1872 C TRP A 119 -2.106 -11.850 -3.418 1.00 0.00 C ATOM 1873 O TRP A 119 -0.936 -12.097 -3.718 1.00 0.00 O ATOM 1874 CB TRP A 119 -3.505 -13.433 -2.023 1.00 0.00 C ATOM 1875 CG TRP A 119 -3.054 -14.509 -2.957 1.00 0.00 C ATOM 1876 CD1 TRP A 119 -3.432 -14.619 -4.249 1.00 0.00 C ATOM 1877 CD2 TRP A 119 -2.126 -15.607 -2.717 1.00 0.00 C ATOM 1878 NE1 TRP A 119 -2.787 -15.683 -4.836 1.00 0.00 N ATOM 1879 CE2 TRP A 119 -1.976 -16.341 -3.933 1.00 0.00 C ATOM 1880 CE3 TRP A 119 -1.422 -16.073 -1.585 1.00 0.00 C ATOM 1881 CZ2 TRP A 119 -1.154 -17.473 -4.021 1.00 0.00 C ATOM 1882 CZ3 TRP A 119 -0.609 -17.220 -1.660 1.00 0.00 C ATOM 1883 CH2 TRP A 119 -0.473 -17.914 -2.875 1.00 0.00 C ATOM 0 H TRP A 119 -4.313 -11.316 -1.157 1.00 0.00 H new ATOM 0 HA TRP A 119 -1.750 -12.363 -1.388 1.00 0.00 H new ATOM 0 HB2 TRP A 119 -3.543 -13.840 -1.013 1.00 0.00 H new ATOM 0 HB3 TRP A 119 -4.522 -13.144 -2.288 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -4.136 -13.969 -4.747 1.00 0.00 H new ATOM 0 HE1 TRP A 119 -2.894 -15.952 -5.814 1.00 0.00 H new ATOM 0 HE3 TRP A 119 -1.508 -15.542 -0.649 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -1.046 -17.999 -4.958 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 -0.088 -17.568 -0.781 1.00 0.00 H new ATOM 0 HH2 TRP A 119 0.157 -18.789 -2.927 1.00 0.00 H new ATOM 1894 N LEU A 120 -2.954 -11.265 -4.269 1.00 0.00 N ATOM 1895 CA LEU A 120 -2.554 -10.891 -5.615 1.00 0.00 C ATOM 1896 C LEU A 120 -1.480 -9.823 -5.548 1.00 0.00 C ATOM 1897 O LEU A 120 -0.473 -9.916 -6.249 1.00 0.00 O ATOM 1898 CB LEU A 120 -3.739 -10.318 -6.403 1.00 0.00 C ATOM 1899 CG LEU A 120 -4.703 -11.358 -6.982 1.00 0.00 C ATOM 1900 CD1 LEU A 120 -5.753 -10.589 -7.779 1.00 0.00 C ATOM 1901 CD2 LEU A 120 -3.973 -12.341 -7.898 1.00 0.00 C ATOM 0 H LEU A 120 -3.923 -11.043 -4.042 1.00 0.00 H new ATOM 0 HA LEU A 120 -2.184 -11.787 -6.114 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -4.300 -9.650 -5.749 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -3.351 -9.711 -7.221 1.00 0.00 H new ATOM 0 HG LEU A 120 -5.155 -11.941 -6.180 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -6.466 -11.290 -8.213 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -6.279 -9.900 -7.118 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -5.266 -10.027 -8.576 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -4.684 -13.067 -8.293 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -3.513 -11.797 -8.723 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -3.201 -12.861 -7.332 1.00 0.00 H new ATOM 1913 N ALA A 121 -1.688 -8.819 -4.694 1.00 0.00 N ATOM 1914 CA ALA A 121 -0.794 -7.687 -4.586 1.00 0.00 C ATOM 1915 C ALA A 121 0.611 -8.114 -4.130 1.00 0.00 C ATOM 1916 O ALA A 121 1.589 -7.469 -4.506 1.00 0.00 O ATOM 1917 CB ALA A 121 -1.402 -6.659 -3.628 1.00 0.00 C ATOM 0 H ALA A 121 -2.486 -8.777 -4.060 1.00 0.00 H new ATOM 0 HA ALA A 121 -0.676 -7.235 -5.571 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -0.734 -5.802 -3.541 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -2.367 -6.329 -4.013 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -1.539 -7.113 -2.647 1.00 0.00 H new