USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=20 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 176:sc= -0.269 (180deg=-0.289) USER MOD Set 1.2: A 74 CYS SG : rot 81:sc= 0.409 USER MOD Set 2.1: A 47 LYS NZ :NH3+ 157:sc= 1.05 (180deg=0) USER MOD Set 2.2: A 62 THR OG1 : rot 180:sc= 0.903 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 MET CE :methyl -141:sc= -0.346 (180deg=-2.29) USER MOD Single : A 33 TYR OH : rot 179:sc= 1.24 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 11:sc= 0.608 USER MOD Single : A 39 THR OG1 : rot 65:sc= 1.29 USER MOD Single : A 45 MET CE :methyl -158:sc= -0.0866 (180deg=-0.583) USER MOD Single : A 49 LYS NZ :NH3+ 177:sc= 2.4 (180deg=2.32) USER MOD Single : A 50 LYS NZ :NH3+ -134:sc= 1.47 (180deg=0.245) USER MOD Single : A 61 LYS NZ :NH3+ 173:sc= 0.324 (180deg=0.0657) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 30:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ -138:sc= 1.15 (180deg=0.0095) USER MOD Single : A 98 SER OG : rot 161:sc= 2.13 USER MOD Single : A 109 THR OG1 : rot -46:sc= 0.401 USER MOD Single : A 110 GLN : amide:sc= -0.269 X(o=-0.27,f=-0.27) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 346 N ALA A 22 -4.147 -29.981 -4.042 1.00 0.00 N ATOM 347 CA ALA A 22 -3.895 -29.426 -5.360 1.00 0.00 C ATOM 348 C ALA A 22 -2.402 -29.137 -5.533 1.00 0.00 C ATOM 349 O ALA A 22 -1.745 -28.638 -4.613 1.00 0.00 O ATOM 350 CB ALA A 22 -4.710 -28.139 -5.496 1.00 0.00 C ATOM 0 HA ALA A 22 -4.190 -30.136 -6.133 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -4.538 -27.702 -6.479 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.770 -28.366 -5.380 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.404 -27.431 -4.726 1.00 0.00 H new ATOM 356 N GLU A 23 -1.883 -29.357 -6.739 1.00 0.00 N ATOM 357 CA GLU A 23 -0.467 -29.206 -7.069 1.00 0.00 C ATOM 358 C GLU A 23 -0.258 -28.488 -8.412 1.00 0.00 C ATOM 359 O GLU A 23 0.885 -28.207 -8.779 1.00 0.00 O ATOM 360 CB GLU A 23 0.234 -30.577 -7.019 1.00 0.00 C ATOM 361 CG GLU A 23 -0.272 -31.580 -8.068 1.00 0.00 C ATOM 362 CD GLU A 23 0.530 -32.892 -8.019 1.00 0.00 C ATOM 363 OE1 GLU A 23 0.149 -33.824 -7.274 1.00 0.00 O ATOM 364 OE2 GLU A 23 1.547 -33.018 -8.740 1.00 0.00 O ATOM 0 H GLU A 23 -2.450 -29.653 -7.534 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.006 -28.564 -6.318 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.305 -30.431 -7.159 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.098 -31.006 -6.026 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -1.327 -31.790 -7.894 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.194 -31.140 -9.062 1.00 0.00 H new ATOM 371 N ASP A 24 -1.335 -28.141 -9.124 1.00 0.00 N ATOM 372 CA ASP A 24 -1.291 -27.363 -10.362 1.00 0.00 C ATOM 373 C ASP A 24 -2.137 -26.102 -10.200 1.00 0.00 C ATOM 374 O ASP A 24 -3.135 -26.105 -9.474 1.00 0.00 O ATOM 375 CB ASP A 24 -1.796 -28.209 -11.537 1.00 0.00 C ATOM 376 CG ASP A 24 -1.792 -27.393 -12.838 1.00 0.00 C ATOM 377 OD1 ASP A 24 -0.751 -27.377 -13.534 1.00 0.00 O ATOM 378 OD2 ASP A 24 -2.819 -26.752 -13.144 1.00 0.00 O ATOM 0 H ASP A 24 -2.282 -28.400 -8.848 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.262 -27.072 -10.572 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.166 -29.091 -11.653 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.805 -28.564 -11.328 1.00 0.00 H new ATOM 383 N LYS A 25 -1.736 -25.012 -10.861 1.00 0.00 N ATOM 384 CA LYS A 25 -2.396 -23.714 -10.748 1.00 0.00 C ATOM 385 C LYS A 25 -3.899 -23.776 -11.021 1.00 0.00 C ATOM 386 O LYS A 25 -4.640 -23.060 -10.353 1.00 0.00 O ATOM 387 CB LYS A 25 -1.700 -22.677 -11.649 1.00 0.00 C ATOM 388 CG LYS A 25 -1.866 -22.980 -13.147 1.00 0.00 C ATOM 389 CD LYS A 25 -1.048 -22.041 -14.035 1.00 0.00 C ATOM 390 CE LYS A 25 -1.298 -22.450 -15.492 1.00 0.00 C ATOM 391 NZ LYS A 25 -0.514 -21.635 -16.454 1.00 0.00 N ATOM 0 H LYS A 25 -0.937 -25.009 -11.495 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.298 -23.398 -9.709 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.105 -21.688 -11.436 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.638 -22.645 -11.405 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.565 -24.010 -13.340 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -2.920 -22.900 -13.415 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.344 -21.005 -13.872 1.00 0.00 H new ATOM 0 HD3 LYS A 25 0.013 -22.112 -13.793 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.043 -23.502 -15.620 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.360 -22.350 -15.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -0.718 -21.951 -17.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -0.775 -20.633 -16.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 0.501 -21.749 -16.259 1.00 0.00 H new ATOM 405 N GLU A 26 -4.368 -24.611 -11.954 1.00 0.00 N ATOM 406 CA GLU A 26 -5.793 -24.697 -12.258 1.00 0.00 C ATOM 407 C GLU A 26 -6.538 -25.281 -11.056 1.00 0.00 C ATOM 408 O GLU A 26 -7.579 -24.765 -10.652 1.00 0.00 O ATOM 409 CB GLU A 26 -6.029 -25.556 -13.511 1.00 0.00 C ATOM 410 CG GLU A 26 -5.511 -24.886 -14.794 1.00 0.00 C ATOM 411 CD GLU A 26 -5.672 -25.789 -16.032 1.00 0.00 C ATOM 412 OE1 GLU A 26 -6.802 -26.234 -16.336 1.00 0.00 O ATOM 413 OE2 GLU A 26 -4.672 -26.037 -16.744 1.00 0.00 O ATOM 0 H GLU A 26 -3.780 -25.234 -12.508 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.174 -23.696 -12.461 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.536 -26.520 -13.384 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.096 -25.755 -13.615 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.049 -23.952 -14.956 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.459 -24.630 -14.668 1.00 0.00 H new ATOM 420 N GLU A 27 -5.976 -26.323 -10.438 1.00 0.00 N ATOM 421 CA GLU A 27 -6.558 -26.972 -9.270 1.00 0.00 C ATOM 422 C GLU A 27 -6.576 -25.989 -8.095 1.00 0.00 C ATOM 423 O GLU A 27 -7.573 -25.877 -7.381 1.00 0.00 O ATOM 424 CB GLU A 27 -5.729 -28.205 -8.883 1.00 0.00 C ATOM 425 CG GLU A 27 -5.542 -29.252 -9.987 1.00 0.00 C ATOM 426 CD GLU A 27 -4.647 -30.411 -9.506 1.00 0.00 C ATOM 427 OE1 GLU A 27 -3.618 -30.154 -8.837 1.00 0.00 O ATOM 428 OE2 GLU A 27 -4.973 -31.585 -9.804 1.00 0.00 O ATOM 0 H GLU A 27 -5.096 -26.741 -10.741 1.00 0.00 H new ATOM 0 HA GLU A 27 -7.575 -27.283 -9.509 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -4.745 -27.870 -8.554 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.204 -28.686 -8.028 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -6.513 -29.641 -10.292 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -5.096 -28.784 -10.865 1.00 0.00 H new ATOM 435 N ARG A 28 -5.484 -25.244 -7.898 1.00 0.00 N ATOM 436 CA ARG A 28 -5.385 -24.287 -6.800 1.00 0.00 C ATOM 437 C ARG A 28 -6.324 -23.101 -7.016 1.00 0.00 C ATOM 438 O ARG A 28 -6.900 -22.617 -6.041 1.00 0.00 O ATOM 439 CB ARG A 28 -3.923 -23.853 -6.597 1.00 0.00 C ATOM 440 CG ARG A 28 -3.077 -25.035 -6.100 1.00 0.00 C ATOM 441 CD ARG A 28 -1.654 -24.677 -5.668 1.00 0.00 C ATOM 442 NE ARG A 28 -1.087 -25.796 -4.891 1.00 0.00 N ATOM 443 CZ ARG A 28 -0.211 -25.725 -3.884 1.00 0.00 C ATOM 444 NH1 ARG A 28 0.362 -24.574 -3.545 1.00 0.00 N ATOM 445 NH2 ARG A 28 0.075 -26.833 -3.215 1.00 0.00 N ATOM 0 H ARG A 28 -4.654 -25.288 -8.490 1.00 0.00 H new ATOM 0 HA ARG A 28 -5.709 -24.774 -5.880 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.516 -23.475 -7.535 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.876 -23.036 -5.877 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -3.590 -25.500 -5.258 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -3.023 -25.782 -6.892 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -1.035 -24.476 -6.543 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -1.662 -23.768 -5.067 1.00 0.00 H new ATOM 0 HE ARG A 28 -1.399 -26.731 -5.152 1.00 0.00 H new ATOM 0 HH11 ARG A 28 0.136 -23.721 -4.057 1.00 0.00 H new ATOM 0 HH12 ARG A 28 1.028 -24.544 -2.773 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -0.370 -27.714 -3.473 1.00 0.00 H new ATOM 0 HH22 ARG A 28 0.740 -26.805 -2.442 1.00 0.00 H new ATOM 459 N ALA A 29 -6.548 -22.679 -8.263 1.00 0.00 N ATOM 460 CA ALA A 29 -7.539 -21.660 -8.573 1.00 0.00 C ATOM 461 C ALA A 29 -8.935 -22.172 -8.222 1.00 0.00 C ATOM 462 O ALA A 29 -9.748 -21.411 -7.703 1.00 0.00 O ATOM 463 CB ALA A 29 -7.463 -21.261 -10.049 1.00 0.00 C ATOM 0 H ALA A 29 -6.048 -23.035 -9.078 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.330 -20.772 -7.976 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -8.213 -20.498 -10.259 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.471 -20.865 -10.268 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -7.651 -22.135 -10.672 1.00 0.00 H new ATOM 469 N MET A 30 -9.226 -23.454 -8.458 1.00 0.00 N ATOM 470 CA MET A 30 -10.504 -24.040 -8.068 1.00 0.00 C ATOM 471 C MET A 30 -10.640 -24.138 -6.553 1.00 0.00 C ATOM 472 O MET A 30 -11.719 -23.867 -6.040 1.00 0.00 O ATOM 473 CB MET A 30 -10.710 -25.397 -8.744 1.00 0.00 C ATOM 474 CG MET A 30 -10.910 -25.233 -10.252 1.00 0.00 C ATOM 475 SD MET A 30 -12.433 -24.356 -10.715 1.00 0.00 S ATOM 476 CE MET A 30 -11.859 -22.648 -10.969 1.00 0.00 C ATOM 0 H MET A 30 -8.590 -24.105 -8.919 1.00 0.00 H new ATOM 0 HA MET A 30 -11.295 -23.374 -8.413 1.00 0.00 H new ATOM 0 HB2 MET A 30 -9.847 -26.036 -8.555 1.00 0.00 H new ATOM 0 HB3 MET A 30 -11.577 -25.895 -8.311 1.00 0.00 H new ATOM 0 HG2 MET A 30 -10.056 -24.695 -10.663 1.00 0.00 H new ATOM 0 HG3 MET A 30 -10.918 -26.220 -10.715 1.00 0.00 H new ATOM 0 HE1 MET A 30 -12.603 -21.953 -10.580 1.00 0.00 H new ATOM 0 HE2 MET A 30 -10.915 -22.500 -10.445 1.00 0.00 H new ATOM 0 HE3 MET A 30 -11.715 -22.467 -12.034 1.00 0.00 H new ATOM 486 N GLY A 31 -9.566 -24.445 -5.824 1.00 0.00 N ATOM 487 CA GLY A 31 -9.581 -24.412 -4.363 1.00 0.00 C ATOM 488 C GLY A 31 -10.001 -23.029 -3.845 1.00 0.00 C ATOM 489 O GLY A 31 -10.957 -22.919 -3.067 1.00 0.00 O ATOM 0 H GLY A 31 -8.670 -24.721 -6.226 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -10.269 -25.169 -3.986 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -8.591 -24.662 -3.980 1.00 0.00 H new ATOM 493 N TRP A 32 -9.350 -21.972 -4.354 1.00 0.00 N ATOM 494 CA TRP A 32 -9.756 -20.591 -4.115 1.00 0.00 C ATOM 495 C TRP A 32 -11.231 -20.389 -4.473 1.00 0.00 C ATOM 496 O TRP A 32 -11.988 -19.910 -3.631 1.00 0.00 O ATOM 497 CB TRP A 32 -8.866 -19.613 -4.900 1.00 0.00 C ATOM 498 CG TRP A 32 -7.610 -19.171 -4.214 1.00 0.00 C ATOM 499 CD1 TRP A 32 -6.379 -19.708 -4.369 1.00 0.00 C ATOM 500 CD2 TRP A 32 -7.437 -18.055 -3.287 1.00 0.00 C ATOM 501 NE1 TRP A 32 -5.462 -19.003 -3.618 1.00 0.00 N ATOM 502 CE2 TRP A 32 -6.057 -17.965 -2.936 1.00 0.00 C ATOM 503 CE3 TRP A 32 -8.308 -17.099 -2.719 1.00 0.00 C ATOM 504 CZ2 TRP A 32 -5.568 -16.975 -2.071 1.00 0.00 C ATOM 505 CZ3 TRP A 32 -7.827 -16.109 -1.842 1.00 0.00 C ATOM 506 CH2 TRP A 32 -6.460 -16.042 -1.521 1.00 0.00 C ATOM 0 H TRP A 32 -8.523 -22.059 -4.945 1.00 0.00 H new ATOM 0 HA TRP A 32 -9.632 -20.382 -3.052 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -8.594 -20.080 -5.846 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -9.456 -18.728 -5.139 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -6.148 -20.562 -4.989 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -4.467 -19.223 -3.573 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -9.360 -17.128 -2.962 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -4.516 -16.931 -1.831 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -8.514 -15.395 -1.412 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -6.097 -15.275 -0.853 1.00 0.00 H new ATOM 517 N TYR A 33 -11.650 -20.776 -5.682 1.00 0.00 N ATOM 518 CA TYR A 33 -13.014 -20.580 -6.155 1.00 0.00 C ATOM 519 C TYR A 33 -14.028 -21.206 -5.199 1.00 0.00 C ATOM 520 O TYR A 33 -15.008 -20.549 -4.851 1.00 0.00 O ATOM 521 CB TYR A 33 -13.181 -21.165 -7.566 1.00 0.00 C ATOM 522 CG TYR A 33 -14.541 -20.908 -8.190 1.00 0.00 C ATOM 523 CD1 TYR A 33 -15.660 -21.682 -7.822 1.00 0.00 C ATOM 524 CD2 TYR A 33 -14.690 -19.882 -9.138 1.00 0.00 C ATOM 525 CE1 TYR A 33 -16.924 -21.416 -8.375 1.00 0.00 C ATOM 526 CE2 TYR A 33 -15.936 -19.650 -9.742 1.00 0.00 C ATOM 527 CZ TYR A 33 -17.062 -20.415 -9.365 1.00 0.00 C ATOM 528 OH TYR A 33 -18.271 -20.189 -9.949 1.00 0.00 O ATOM 0 H TYR A 33 -11.044 -21.237 -6.361 1.00 0.00 H new ATOM 0 HA TYR A 33 -13.204 -19.507 -6.192 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -12.411 -20.746 -8.214 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -13.011 -22.241 -7.523 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -15.545 -22.486 -7.110 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -13.842 -19.269 -9.404 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -17.788 -21.974 -8.045 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -16.034 -18.884 -10.497 1.00 0.00 H new ATOM 0 HH TYR A 33 -18.189 -19.460 -10.599 1.00 0.00 H new ATOM 538 N TYR A 34 -13.818 -22.459 -4.781 1.00 0.00 N ATOM 539 CA TYR A 34 -14.803 -23.200 -4.009 1.00 0.00 C ATOM 540 C TYR A 34 -15.051 -22.511 -2.672 1.00 0.00 C ATOM 541 O TYR A 34 -16.207 -22.230 -2.348 1.00 0.00 O ATOM 542 CB TYR A 34 -14.362 -24.658 -3.789 1.00 0.00 C ATOM 543 CG TYR A 34 -14.213 -25.535 -5.027 1.00 0.00 C ATOM 544 CD1 TYR A 34 -15.137 -25.464 -6.091 1.00 0.00 C ATOM 545 CD2 TYR A 34 -13.157 -26.467 -5.090 1.00 0.00 C ATOM 546 CE1 TYR A 34 -14.988 -26.292 -7.218 1.00 0.00 C ATOM 547 CE2 TYR A 34 -13.005 -27.303 -6.210 1.00 0.00 C ATOM 548 CZ TYR A 34 -13.921 -27.216 -7.284 1.00 0.00 C ATOM 549 OH TYR A 34 -13.792 -28.018 -8.379 1.00 0.00 O ATOM 0 H TYR A 34 -12.962 -22.980 -4.971 1.00 0.00 H new ATOM 0 HA TYR A 34 -15.733 -23.216 -4.577 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -13.406 -24.646 -3.266 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -15.083 -25.132 -3.124 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -15.963 -24.770 -6.040 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -12.458 -26.539 -4.270 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -15.691 -26.221 -8.035 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -12.190 -28.011 -6.250 1.00 0.00 H new ATOM 0 HH TYR A 34 -13.008 -28.596 -8.271 1.00 0.00 H new ATOM 559 N TYR A 35 -13.994 -22.214 -1.902 1.00 0.00 N ATOM 560 CA TYR A 35 -14.205 -21.599 -0.595 1.00 0.00 C ATOM 561 C TYR A 35 -14.697 -20.156 -0.756 1.00 0.00 C ATOM 562 O TYR A 35 -15.520 -19.710 0.041 1.00 0.00 O ATOM 563 CB TYR A 35 -12.970 -21.711 0.315 1.00 0.00 C ATOM 564 CG TYR A 35 -12.120 -20.459 0.418 1.00 0.00 C ATOM 565 CD1 TYR A 35 -11.133 -20.206 -0.547 1.00 0.00 C ATOM 566 CD2 TYR A 35 -12.340 -19.531 1.455 1.00 0.00 C ATOM 567 CE1 TYR A 35 -10.344 -19.048 -0.470 1.00 0.00 C ATOM 568 CE2 TYR A 35 -11.564 -18.363 1.537 1.00 0.00 C ATOM 569 CZ TYR A 35 -10.556 -18.118 0.575 1.00 0.00 C ATOM 570 OH TYR A 35 -9.792 -16.994 0.650 1.00 0.00 O ATOM 0 H TYR A 35 -13.020 -22.384 -2.154 1.00 0.00 H new ATOM 0 HA TYR A 35 -14.989 -22.158 -0.084 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -13.302 -21.988 1.316 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -12.344 -22.525 -0.050 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -10.980 -20.907 -1.354 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -13.109 -19.718 2.190 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -9.576 -18.867 -1.207 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -11.736 -17.653 2.333 1.00 0.00 H new ATOM 0 HH TYR A 35 -9.274 -16.895 -0.176 1.00 0.00 H new ATOM 580 N LEU A 36 -14.235 -19.434 -1.785 1.00 0.00 N ATOM 581 CA LEU A 36 -14.648 -18.060 -2.033 1.00 0.00 C ATOM 582 C LEU A 36 -16.143 -18.017 -2.328 1.00 0.00 C ATOM 583 O LEU A 36 -16.862 -17.296 -1.646 1.00 0.00 O ATOM 584 CB LEU A 36 -13.833 -17.467 -3.192 1.00 0.00 C ATOM 585 CG LEU A 36 -14.263 -16.049 -3.607 1.00 0.00 C ATOM 586 CD1 LEU A 36 -14.116 -15.028 -2.471 1.00 0.00 C ATOM 587 CD2 LEU A 36 -13.405 -15.613 -4.797 1.00 0.00 C ATOM 0 H LEU A 36 -13.565 -19.792 -2.465 1.00 0.00 H new ATOM 0 HA LEU A 36 -14.458 -17.456 -1.146 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -12.781 -17.447 -2.908 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -13.917 -18.127 -4.055 1.00 0.00 H new ATOM 0 HG LEU A 36 -15.320 -16.081 -3.870 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -14.434 -14.046 -2.821 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -14.736 -15.331 -1.627 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -13.073 -14.981 -2.156 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -13.695 -14.609 -5.106 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -12.354 -15.614 -4.508 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -13.554 -16.305 -5.626 1.00 0.00 H new ATOM 599 N ASP A 37 -16.626 -18.801 -3.293 1.00 0.00 N ATOM 600 CA ASP A 37 -18.039 -18.828 -3.674 1.00 0.00 C ATOM 601 C ASP A 37 -18.917 -19.215 -2.486 1.00 0.00 C ATOM 602 O ASP A 37 -19.961 -18.603 -2.260 1.00 0.00 O ATOM 603 CB ASP A 37 -18.258 -19.822 -4.818 1.00 0.00 C ATOM 604 CG ASP A 37 -19.745 -19.884 -5.199 1.00 0.00 C ATOM 605 OD1 ASP A 37 -20.244 -18.929 -5.833 1.00 0.00 O ATOM 606 OD2 ASP A 37 -20.409 -20.899 -4.890 1.00 0.00 O ATOM 0 H ASP A 37 -16.044 -19.439 -3.836 1.00 0.00 H new ATOM 0 HA ASP A 37 -18.319 -17.827 -4.003 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -17.667 -19.525 -5.684 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -17.911 -20.811 -4.519 1.00 0.00 H new ATOM 611 N ASP A 38 -18.464 -20.189 -1.691 1.00 0.00 N ATOM 612 CA ASP A 38 -19.134 -20.593 -0.453 1.00 0.00 C ATOM 613 C ASP A 38 -19.157 -19.483 0.614 1.00 0.00 C ATOM 614 O ASP A 38 -20.074 -19.445 1.437 1.00 0.00 O ATOM 615 CB ASP A 38 -18.459 -21.847 0.116 1.00 0.00 C ATOM 616 CG ASP A 38 -19.145 -22.320 1.409 1.00 0.00 C ATOM 617 OD1 ASP A 38 -20.283 -22.839 1.339 1.00 0.00 O ATOM 618 OD2 ASP A 38 -18.535 -22.223 2.497 1.00 0.00 O ATOM 0 H ASP A 38 -17.617 -20.722 -1.890 1.00 0.00 H new ATOM 0 HA ASP A 38 -20.172 -20.804 -0.710 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -18.488 -22.645 -0.626 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -17.408 -21.637 0.316 1.00 0.00 H new ATOM 623 N THR A 39 -18.185 -18.567 0.602 1.00 0.00 N ATOM 624 CA THR A 39 -18.062 -17.496 1.589 1.00 0.00 C ATOM 625 C THR A 39 -18.830 -16.241 1.154 1.00 0.00 C ATOM 626 O THR A 39 -19.432 -15.586 2.006 1.00 0.00 O ATOM 627 CB THR A 39 -16.570 -17.178 1.815 1.00 0.00 C ATOM 628 OG1 THR A 39 -15.897 -18.329 2.284 1.00 0.00 O ATOM 629 CG2 THR A 39 -16.351 -16.046 2.826 1.00 0.00 C ATOM 0 H THR A 39 -17.451 -18.550 -0.106 1.00 0.00 H new ATOM 0 HA THR A 39 -18.504 -17.832 2.527 1.00 0.00 H new ATOM 0 HB THR A 39 -16.173 -16.856 0.852 1.00 0.00 H new ATOM 0 HG1 THR A 39 -15.915 -19.023 1.592 1.00 0.00 H new ATOM 0 HG21 THR A 39 -15.283 -15.866 2.945 1.00 0.00 H new ATOM 0 HG22 THR A 39 -16.834 -15.138 2.466 1.00 0.00 H new ATOM 0 HG23 THR A 39 -16.780 -16.328 3.787 1.00 0.00 H new ATOM 637 N LEU A 40 -18.810 -15.899 -0.141 1.00 0.00 N ATOM 638 CA LEU A 40 -19.399 -14.670 -0.660 1.00 0.00 C ATOM 639 C LEU A 40 -20.879 -14.607 -0.290 1.00 0.00 C ATOM 640 O LEU A 40 -21.669 -15.464 -0.687 1.00 0.00 O ATOM 641 CB LEU A 40 -19.248 -14.558 -2.190 1.00 0.00 C ATOM 642 CG LEU A 40 -17.841 -14.245 -2.733 1.00 0.00 C ATOM 643 CD1 LEU A 40 -17.884 -14.244 -4.263 1.00 0.00 C ATOM 644 CD2 LEU A 40 -17.253 -12.924 -2.243 1.00 0.00 C ATOM 0 H LEU A 40 -18.378 -16.478 -0.861 1.00 0.00 H new ATOM 0 HA LEU A 40 -18.863 -13.835 -0.208 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -19.581 -15.497 -2.633 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -19.927 -13.781 -2.541 1.00 0.00 H new ATOM 0 HG LEU A 40 -17.185 -15.026 -2.349 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -16.891 -14.023 -4.655 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -18.205 -15.223 -4.619 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -18.587 -13.485 -4.607 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -16.262 -12.785 -2.674 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -17.900 -12.102 -2.548 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -17.176 -12.941 -1.156 1.00 0.00 H new ATOM 656 N GLU A 41 -21.262 -13.549 0.416 1.00 0.00 N ATOM 657 CA GLU A 41 -22.627 -13.177 0.746 1.00 0.00 C ATOM 658 C GLU A 41 -23.282 -12.526 -0.489 1.00 0.00 C ATOM 659 O GLU A 41 -23.770 -11.397 -0.453 1.00 0.00 O ATOM 660 CB GLU A 41 -22.541 -12.272 1.987 1.00 0.00 C ATOM 661 CG GLU A 41 -23.878 -11.909 2.625 1.00 0.00 C ATOM 662 CD GLU A 41 -24.617 -13.128 3.205 1.00 0.00 C ATOM 663 OE1 GLU A 41 -25.396 -13.778 2.472 1.00 0.00 O ATOM 664 OE2 GLU A 41 -24.445 -13.438 4.406 1.00 0.00 O ATOM 0 H GLU A 41 -20.583 -12.889 0.795 1.00 0.00 H new ATOM 0 HA GLU A 41 -23.267 -14.023 0.994 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -21.923 -12.768 2.736 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -22.028 -11.351 1.710 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -23.710 -11.181 3.419 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -24.511 -11.428 1.880 1.00 0.00 H new ATOM 671 N PHE A 42 -23.188 -13.197 -1.638 1.00 0.00 N ATOM 672 CA PHE A 42 -23.744 -12.710 -2.895 1.00 0.00 C ATOM 673 C PHE A 42 -25.285 -12.782 -2.885 1.00 0.00 C ATOM 674 O PHE A 42 -25.844 -13.655 -2.211 1.00 0.00 O ATOM 675 CB PHE A 42 -23.115 -13.453 -4.089 1.00 0.00 C ATOM 676 CG PHE A 42 -23.516 -14.909 -4.272 1.00 0.00 C ATOM 677 CD1 PHE A 42 -24.723 -15.233 -4.924 1.00 0.00 C ATOM 678 CD2 PHE A 42 -22.668 -15.946 -3.833 1.00 0.00 C ATOM 679 CE1 PHE A 42 -25.091 -16.577 -5.110 1.00 0.00 C ATOM 680 CE2 PHE A 42 -23.037 -17.290 -4.020 1.00 0.00 C ATOM 681 CZ PHE A 42 -24.250 -17.607 -4.654 1.00 0.00 C ATOM 0 H PHE A 42 -22.720 -14.100 -1.720 1.00 0.00 H new ATOM 0 HA PHE A 42 -23.488 -11.657 -3.009 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -23.371 -12.912 -5.000 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -22.031 -13.408 -3.985 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -25.368 -14.445 -5.282 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -21.731 -15.707 -3.351 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -26.021 -16.818 -5.604 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -22.386 -18.080 -3.675 1.00 0.00 H new ATOM 0 HZ PHE A 42 -24.536 -18.640 -4.791 1.00 0.00 H new ATOM 691 N PRO A 43 -25.990 -11.925 -3.652 1.00 0.00 N ATOM 692 CA PRO A 43 -25.456 -10.766 -4.363 1.00 0.00 C ATOM 693 C PRO A 43 -25.045 -9.660 -3.376 1.00 0.00 C ATOM 694 O PRO A 43 -25.630 -9.521 -2.299 1.00 0.00 O ATOM 695 CB PRO A 43 -26.584 -10.305 -5.291 1.00 0.00 C ATOM 696 CG PRO A 43 -27.850 -10.712 -4.538 1.00 0.00 C ATOM 697 CD PRO A 43 -27.434 -12.001 -3.828 1.00 0.00 C ATOM 0 HA PRO A 43 -24.556 -11.010 -4.927 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -26.548 -9.229 -5.464 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -26.524 -10.787 -6.267 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -28.162 -9.944 -3.830 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -28.687 -10.878 -5.217 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -27.938 -12.095 -2.866 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -27.708 -12.875 -4.418 1.00 0.00 H new ATOM 705 N PHE A 44 -24.047 -8.867 -3.761 1.00 0.00 N ATOM 706 CA PHE A 44 -23.509 -7.749 -2.986 1.00 0.00 C ATOM 707 C PHE A 44 -23.186 -6.606 -3.950 1.00 0.00 C ATOM 708 O PHE A 44 -23.611 -6.652 -5.104 1.00 0.00 O ATOM 709 CB PHE A 44 -22.311 -8.212 -2.134 1.00 0.00 C ATOM 710 CG PHE A 44 -21.038 -8.636 -2.855 1.00 0.00 C ATOM 711 CD1 PHE A 44 -20.924 -9.920 -3.422 1.00 0.00 C ATOM 712 CD2 PHE A 44 -19.923 -7.777 -2.881 1.00 0.00 C ATOM 713 CE1 PHE A 44 -19.720 -10.337 -4.015 1.00 0.00 C ATOM 714 CE2 PHE A 44 -18.726 -8.180 -3.498 1.00 0.00 C ATOM 715 CZ PHE A 44 -18.622 -9.464 -4.060 1.00 0.00 C ATOM 0 H PHE A 44 -23.572 -8.990 -4.655 1.00 0.00 H new ATOM 0 HA PHE A 44 -24.241 -7.375 -2.270 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -22.054 -7.401 -1.452 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -22.642 -9.051 -1.521 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -21.770 -10.591 -3.401 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -19.988 -6.801 -2.423 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -19.640 -11.328 -4.436 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -17.886 -7.503 -3.540 1.00 0.00 H new ATOM 0 HZ PHE A 44 -17.699 -9.778 -4.525 1.00 0.00 H new ATOM 725 N MET A 45 -22.466 -5.569 -3.519 1.00 0.00 N ATOM 726 CA MET A 45 -22.076 -4.478 -4.406 1.00 0.00 C ATOM 727 C MET A 45 -20.598 -4.131 -4.270 1.00 0.00 C ATOM 728 O MET A 45 -19.915 -4.540 -3.331 1.00 0.00 O ATOM 729 CB MET A 45 -22.995 -3.260 -4.213 1.00 0.00 C ATOM 730 CG MET A 45 -22.698 -2.413 -2.965 1.00 0.00 C ATOM 731 SD MET A 45 -23.043 -0.641 -3.157 1.00 0.00 S ATOM 732 CE MET A 45 -21.749 -0.176 -4.351 1.00 0.00 C ATOM 0 H MET A 45 -22.142 -5.464 -2.558 1.00 0.00 H new ATOM 0 HA MET A 45 -22.207 -4.818 -5.433 1.00 0.00 H new ATOM 0 HB2 MET A 45 -22.917 -2.622 -5.093 1.00 0.00 H new ATOM 0 HB3 MET A 45 -24.027 -3.607 -4.161 1.00 0.00 H new ATOM 0 HG2 MET A 45 -23.288 -2.797 -2.132 1.00 0.00 H new ATOM 0 HG3 MET A 45 -21.649 -2.539 -2.697 1.00 0.00 H new ATOM 0 HE1 MET A 45 -21.561 0.896 -4.285 1.00 0.00 H new ATOM 0 HE2 MET A 45 -20.832 -0.720 -4.124 1.00 0.00 H new ATOM 0 HE3 MET A 45 -22.078 -0.425 -5.360 1.00 0.00 H new ATOM 742 N GLY A 46 -20.110 -3.344 -5.217 1.00 0.00 N ATOM 743 CA GLY A 46 -18.731 -2.927 -5.250 1.00 0.00 C ATOM 744 C GLY A 46 -18.532 -1.777 -6.208 1.00 0.00 C ATOM 745 O GLY A 46 -19.468 -1.280 -6.841 1.00 0.00 O ATOM 0 H GLY A 46 -20.671 -2.978 -5.987 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -18.414 -2.630 -4.250 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -18.102 -3.765 -5.548 1.00 0.00 H new ATOM 749 N LYS A 47 -17.275 -1.377 -6.317 1.00 0.00 N ATOM 750 CA LYS A 47 -16.813 -0.416 -7.299 1.00 0.00 C ATOM 751 C LYS A 47 -15.786 -1.122 -8.166 1.00 0.00 C ATOM 752 O LYS A 47 -14.787 -1.623 -7.649 1.00 0.00 O ATOM 753 CB LYS A 47 -16.225 0.804 -6.567 1.00 0.00 C ATOM 754 CG LYS A 47 -16.121 2.038 -7.470 1.00 0.00 C ATOM 755 CD LYS A 47 -17.468 2.766 -7.631 1.00 0.00 C ATOM 756 CE LYS A 47 -17.861 3.581 -6.389 1.00 0.00 C ATOM 757 NZ LYS A 47 -19.011 4.482 -6.662 1.00 0.00 N ATOM 0 H LYS A 47 -16.532 -1.721 -5.709 1.00 0.00 H new ATOM 0 HA LYS A 47 -17.620 -0.050 -7.934 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -16.848 1.041 -5.704 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -15.235 0.552 -6.186 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -15.386 2.728 -7.054 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -15.755 1.736 -8.451 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -17.415 3.431 -8.493 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -18.248 2.034 -7.840 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -18.116 2.903 -5.575 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -17.007 4.172 -6.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -19.492 4.712 -5.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -18.668 5.358 -7.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -19.679 4.008 -7.302 1.00 0.00 H new ATOM 771 N TRP A 48 -16.033 -1.196 -9.470 1.00 0.00 N ATOM 772 CA TRP A 48 -15.027 -1.642 -10.419 1.00 0.00 C ATOM 773 C TRP A 48 -14.093 -0.450 -10.588 1.00 0.00 C ATOM 774 O TRP A 48 -14.488 0.592 -11.118 1.00 0.00 O ATOM 775 CB TRP A 48 -15.662 -2.110 -11.740 1.00 0.00 C ATOM 776 CG TRP A 48 -14.757 -2.810 -12.720 1.00 0.00 C ATOM 777 CD1 TRP A 48 -13.404 -2.833 -12.692 1.00 0.00 C ATOM 778 CD2 TRP A 48 -15.120 -3.621 -13.885 1.00 0.00 C ATOM 779 NE1 TRP A 48 -12.918 -3.609 -13.713 1.00 0.00 N ATOM 780 CE2 TRP A 48 -13.925 -4.145 -14.469 1.00 0.00 C ATOM 781 CE3 TRP A 48 -16.333 -3.977 -14.514 1.00 0.00 C ATOM 782 CZ2 TRP A 48 -13.926 -4.996 -15.580 1.00 0.00 C ATOM 783 CZ3 TRP A 48 -16.347 -4.833 -15.634 1.00 0.00 C ATOM 784 CH2 TRP A 48 -15.151 -5.352 -16.159 1.00 0.00 C ATOM 0 H TRP A 48 -16.928 -0.950 -9.893 1.00 0.00 H new ATOM 0 HA TRP A 48 -14.479 -2.516 -10.067 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -16.487 -2.781 -11.501 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -16.092 -1.240 -12.237 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -12.794 -2.314 -11.968 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -11.926 -3.768 -13.888 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -17.265 -3.587 -14.131 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -12.998 -5.372 -15.984 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -17.289 -5.093 -16.094 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -15.176 -6.022 -17.005 1.00 0.00 H new ATOM 795 N LYS A 49 -12.870 -0.587 -10.077 1.00 0.00 N ATOM 796 CA LYS A 49 -11.807 0.414 -10.138 1.00 0.00 C ATOM 797 C LYS A 49 -11.162 0.341 -11.533 1.00 0.00 C ATOM 798 O LYS A 49 -9.992 -0.014 -11.674 1.00 0.00 O ATOM 799 CB LYS A 49 -10.807 0.167 -8.986 1.00 0.00 C ATOM 800 CG LYS A 49 -11.446 -0.063 -7.601 1.00 0.00 C ATOM 801 CD LYS A 49 -12.195 1.128 -6.986 1.00 0.00 C ATOM 802 CE LYS A 49 -11.218 2.159 -6.406 1.00 0.00 C ATOM 803 NZ LYS A 49 -11.841 2.975 -5.338 1.00 0.00 N ATOM 0 H LYS A 49 -12.581 -1.435 -9.589 1.00 0.00 H new ATOM 0 HA LYS A 49 -12.191 1.425 -10.003 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -10.197 -0.701 -9.236 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -10.134 1.022 -8.921 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -12.141 -0.899 -7.680 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -10.660 -0.366 -6.909 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -12.818 1.601 -7.746 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -12.863 0.774 -6.201 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -10.344 1.645 -6.006 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -10.866 2.813 -7.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -11.133 3.624 -4.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -12.629 3.525 -5.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -12.200 2.350 -4.588 1.00 0.00 H new ATOM 817 N LYS A 50 -11.976 0.559 -12.568 1.00 0.00 N ATOM 818 CA LYS A 50 -11.630 0.388 -13.979 1.00 0.00 C ATOM 819 C LYS A 50 -10.354 1.181 -14.271 1.00 0.00 C ATOM 820 O LYS A 50 -10.256 2.322 -13.833 1.00 0.00 O ATOM 821 CB LYS A 50 -12.832 0.911 -14.792 1.00 0.00 C ATOM 822 CG LYS A 50 -12.724 0.776 -16.321 1.00 0.00 C ATOM 823 CD LYS A 50 -12.909 -0.646 -16.872 1.00 0.00 C ATOM 824 CE LYS A 50 -14.304 -1.212 -16.559 1.00 0.00 C ATOM 825 NZ LYS A 50 -14.636 -2.392 -17.397 1.00 0.00 N ATOM 0 H LYS A 50 -12.938 0.874 -12.439 1.00 0.00 H new ATOM 0 HA LYS A 50 -11.436 -0.652 -14.242 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -13.726 0.381 -14.463 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -12.978 1.964 -14.550 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -13.470 1.425 -16.780 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -11.747 1.144 -16.633 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -12.755 -0.639 -17.951 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -12.149 -1.301 -16.446 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -14.352 -1.492 -15.507 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -15.052 -0.435 -16.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -15.601 -2.291 -17.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -13.963 -2.457 -18.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -14.577 -3.255 -16.820 1.00 0.00 H new ATOM 976 N GLU A 59 -10.899 4.863 -12.987 1.00 0.00 N ATOM 977 CA GLU A 59 -12.276 5.308 -13.026 1.00 0.00 C ATOM 978 C GLU A 59 -13.033 4.345 -12.108 1.00 0.00 C ATOM 979 O GLU A 59 -12.554 3.252 -11.791 1.00 0.00 O ATOM 980 CB GLU A 59 -12.819 5.297 -14.466 1.00 0.00 C ATOM 981 CG GLU A 59 -12.197 6.383 -15.361 1.00 0.00 C ATOM 982 CD GLU A 59 -12.473 7.835 -14.909 1.00 0.00 C ATOM 983 OE1 GLU A 59 -13.484 8.101 -14.219 1.00 0.00 O ATOM 984 OE2 GLU A 59 -11.697 8.739 -15.299 1.00 0.00 O ATOM 0 HA GLU A 59 -12.389 6.338 -12.689 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -12.631 4.319 -14.910 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -13.900 5.433 -14.440 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -11.119 6.228 -15.399 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -12.573 6.256 -16.376 1.00 0.00 H new ATOM 991 N GLU A 60 -14.223 4.739 -11.669 1.00 0.00 N ATOM 992 CA GLU A 60 -14.938 4.044 -10.612 1.00 0.00 C ATOM 993 C GLU A 60 -16.378 3.803 -11.070 1.00 0.00 C ATOM 994 O GLU A 60 -17.191 4.731 -11.096 1.00 0.00 O ATOM 995 CB GLU A 60 -14.830 4.908 -9.340 1.00 0.00 C ATOM 996 CG GLU A 60 -13.384 5.039 -8.831 1.00 0.00 C ATOM 997 CD GLU A 60 -13.349 5.683 -7.438 1.00 0.00 C ATOM 998 OE1 GLU A 60 -13.422 4.937 -6.435 1.00 0.00 O ATOM 999 OE2 GLU A 60 -13.232 6.926 -7.333 1.00 0.00 O ATOM 0 H GLU A 60 -14.718 5.551 -12.038 1.00 0.00 H new ATOM 0 HA GLU A 60 -14.517 3.064 -10.388 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -15.230 5.901 -9.545 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -15.449 4.471 -8.556 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -12.917 4.055 -8.793 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -12.802 5.641 -9.529 1.00 0.00 H new ATOM 1006 N LYS A 61 -16.691 2.561 -11.455 1.00 0.00 N ATOM 1007 CA LYS A 61 -18.023 2.160 -11.912 1.00 0.00 C ATOM 1008 C LYS A 61 -18.696 1.396 -10.781 1.00 0.00 C ATOM 1009 O LYS A 61 -18.191 0.354 -10.366 1.00 0.00 O ATOM 1010 CB LYS A 61 -17.886 1.297 -13.179 1.00 0.00 C ATOM 1011 CG LYS A 61 -19.237 0.791 -13.707 1.00 0.00 C ATOM 1012 CD LYS A 61 -19.085 -0.017 -15.010 1.00 0.00 C ATOM 1013 CE LYS A 61 -18.960 0.855 -16.270 1.00 0.00 C ATOM 1014 NZ LYS A 61 -20.180 1.663 -16.532 1.00 0.00 N ATOM 0 H LYS A 61 -16.016 1.797 -11.457 1.00 0.00 H new ATOM 0 HA LYS A 61 -18.634 3.026 -12.167 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -17.392 1.879 -13.957 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -17.243 0.444 -12.963 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -19.712 0.169 -12.949 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -19.898 1.640 -13.882 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -18.204 -0.653 -14.931 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -19.946 -0.677 -15.120 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -18.104 1.521 -16.162 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -18.760 0.216 -17.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -20.000 2.318 -17.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -20.968 1.031 -16.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -20.426 2.206 -15.680 1.00 0.00 H new ATOM 1028 N THR A 62 -19.802 1.903 -10.251 1.00 0.00 N ATOM 1029 CA THR A 62 -20.574 1.198 -9.238 1.00 0.00 C ATOM 1030 C THR A 62 -21.218 -0.037 -9.879 1.00 0.00 C ATOM 1031 O THR A 62 -21.805 0.057 -10.959 1.00 0.00 O ATOM 1032 CB THR A 62 -21.605 2.166 -8.635 1.00 0.00 C ATOM 1033 OG1 THR A 62 -21.006 3.437 -8.429 1.00 0.00 O ATOM 1034 CG2 THR A 62 -22.095 1.683 -7.273 1.00 0.00 C ATOM 0 H THR A 62 -20.187 2.811 -10.511 1.00 0.00 H new ATOM 0 HA THR A 62 -19.941 0.849 -8.422 1.00 0.00 H new ATOM 0 HB THR A 62 -22.440 2.221 -9.334 1.00 0.00 H new ATOM 0 HG1 THR A 62 -21.666 4.052 -8.046 1.00 0.00 H new ATOM 0 HG21 THR A 62 -22.822 2.391 -6.876 1.00 0.00 H new ATOM 0 HG22 THR A 62 -22.563 0.704 -7.381 1.00 0.00 H new ATOM 0 HG23 THR A 62 -21.250 1.608 -6.588 1.00 0.00 H new ATOM 1042 N VAL A 63 -21.119 -1.189 -9.217 1.00 0.00 N ATOM 1043 CA VAL A 63 -21.604 -2.456 -9.746 1.00 0.00 C ATOM 1044 C VAL A 63 -22.285 -3.267 -8.644 1.00 0.00 C ATOM 1045 O VAL A 63 -21.882 -3.216 -7.480 1.00 0.00 O ATOM 1046 CB VAL A 63 -20.454 -3.249 -10.412 1.00 0.00 C ATOM 1047 CG1 VAL A 63 -19.978 -2.608 -11.726 1.00 0.00 C ATOM 1048 CG2 VAL A 63 -19.224 -3.450 -9.508 1.00 0.00 C ATOM 0 H VAL A 63 -20.696 -1.266 -8.292 1.00 0.00 H new ATOM 0 HA VAL A 63 -22.347 -2.252 -10.517 1.00 0.00 H new ATOM 0 HB VAL A 63 -20.900 -4.224 -10.611 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -19.171 -3.205 -12.150 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -20.808 -2.566 -12.432 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -19.618 -1.598 -11.529 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -18.464 -4.014 -10.048 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -18.820 -2.479 -9.222 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -19.516 -3.999 -8.613 1.00 0.00 H new ATOM 1058 N GLU A 64 -23.314 -4.028 -9.015 1.00 0.00 N ATOM 1059 CA GLU A 64 -23.927 -5.021 -8.145 1.00 0.00 C ATOM 1060 C GLU A 64 -23.265 -6.335 -8.544 1.00 0.00 C ATOM 1061 O GLU A 64 -23.361 -6.744 -9.701 1.00 0.00 O ATOM 1062 CB GLU A 64 -25.452 -5.040 -8.335 1.00 0.00 C ATOM 1063 CG GLU A 64 -26.143 -5.946 -7.307 1.00 0.00 C ATOM 1064 CD GLU A 64 -27.676 -5.850 -7.408 1.00 0.00 C ATOM 1065 OE1 GLU A 64 -28.288 -6.558 -8.239 1.00 0.00 O ATOM 1066 OE2 GLU A 64 -28.291 -5.076 -6.639 1.00 0.00 O ATOM 0 H GLU A 64 -23.747 -3.969 -9.937 1.00 0.00 H new ATOM 0 HA GLU A 64 -23.779 -4.814 -7.085 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -25.842 -4.026 -8.246 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -25.689 -5.386 -9.341 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -25.831 -6.979 -7.463 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -25.826 -5.666 -6.303 1.00 0.00 H new ATOM 1073 N VAL A 65 -22.522 -6.943 -7.626 1.00 0.00 N ATOM 1074 CA VAL A 65 -21.778 -8.166 -7.858 1.00 0.00 C ATOM 1075 C VAL A 65 -22.765 -9.305 -7.609 1.00 0.00 C ATOM 1076 O VAL A 65 -23.208 -9.529 -6.480 1.00 0.00 O ATOM 1077 CB VAL A 65 -20.526 -8.217 -6.957 1.00 0.00 C ATOM 1078 CG1 VAL A 65 -19.615 -9.353 -7.435 1.00 0.00 C ATOM 1079 CG2 VAL A 65 -19.711 -6.908 -6.986 1.00 0.00 C ATOM 0 H VAL A 65 -22.421 -6.586 -6.676 1.00 0.00 H new ATOM 0 HA VAL A 65 -21.388 -8.238 -8.873 1.00 0.00 H new ATOM 0 HB VAL A 65 -20.874 -8.374 -5.936 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -18.727 -9.397 -6.804 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -20.151 -10.300 -7.373 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -19.318 -9.171 -8.468 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -18.843 -7.005 -6.333 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -19.378 -6.709 -8.005 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -20.335 -6.083 -6.640 1.00 0.00 H new ATOM 1089 N LEU A 66 -23.170 -9.975 -8.686 1.00 0.00 N ATOM 1090 CA LEU A 66 -24.265 -10.937 -8.663 1.00 0.00 C ATOM 1091 C LEU A 66 -23.831 -12.275 -8.066 1.00 0.00 C ATOM 1092 O LEU A 66 -24.655 -12.969 -7.473 1.00 0.00 O ATOM 1093 CB LEU A 66 -24.810 -11.155 -10.086 1.00 0.00 C ATOM 1094 CG LEU A 66 -25.245 -9.878 -10.834 1.00 0.00 C ATOM 1095 CD1 LEU A 66 -25.838 -10.265 -12.191 1.00 0.00 C ATOM 1096 CD2 LEU A 66 -26.269 -9.048 -10.052 1.00 0.00 C ATOM 0 H LEU A 66 -22.743 -9.863 -9.605 1.00 0.00 H new ATOM 0 HA LEU A 66 -25.050 -10.525 -8.029 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -24.044 -11.658 -10.676 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -25.664 -11.831 -10.030 1.00 0.00 H new ATOM 0 HG LEU A 66 -24.357 -9.259 -10.959 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -26.147 -9.365 -12.723 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -25.088 -10.794 -12.778 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -26.702 -10.911 -12.039 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -26.536 -8.163 -10.629 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -27.162 -9.647 -9.872 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -25.838 -8.743 -9.098 1.00 0.00 H new ATOM 1108 N GLY A 67 -22.559 -12.645 -8.224 1.00 0.00 N ATOM 1109 CA GLY A 67 -22.004 -13.919 -7.816 1.00 0.00 C ATOM 1110 C GLY A 67 -20.721 -14.154 -8.605 1.00 0.00 C ATOM 1111 O GLY A 67 -20.324 -13.327 -9.433 1.00 0.00 O ATOM 0 H GLY A 67 -21.867 -12.035 -8.658 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -21.797 -13.918 -6.746 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -22.717 -14.722 -8.002 1.00 0.00 H new ATOM 1115 N MET A 68 -20.066 -15.281 -8.354 1.00 0.00 N ATOM 1116 CA MET A 68 -18.910 -15.707 -9.137 1.00 0.00 C ATOM 1117 C MET A 68 -19.313 -15.982 -10.585 1.00 0.00 C ATOM 1118 O MET A 68 -20.436 -16.412 -10.867 1.00 0.00 O ATOM 1119 CB MET A 68 -18.275 -16.973 -8.540 1.00 0.00 C ATOM 1120 CG MET A 68 -17.564 -16.731 -7.205 1.00 0.00 C ATOM 1121 SD MET A 68 -16.179 -15.557 -7.244 1.00 0.00 S ATOM 1122 CE MET A 68 -14.992 -16.483 -8.254 1.00 0.00 C ATOM 0 H MET A 68 -20.319 -15.925 -7.604 1.00 0.00 H new ATOM 0 HA MET A 68 -18.180 -14.898 -9.111 1.00 0.00 H new ATOM 0 HB2 MET A 68 -19.050 -17.726 -8.398 1.00 0.00 H new ATOM 0 HB3 MET A 68 -17.560 -17.382 -9.254 1.00 0.00 H new ATOM 0 HG2 MET A 68 -18.299 -16.372 -6.484 1.00 0.00 H new ATOM 0 HG3 MET A 68 -17.194 -17.687 -6.834 1.00 0.00 H new ATOM 0 HE1 MET A 68 -14.110 -15.869 -8.433 1.00 0.00 H new ATOM 0 HE2 MET A 68 -14.700 -17.393 -7.730 1.00 0.00 H new ATOM 0 HE3 MET A 68 -15.451 -16.745 -9.207 1.00 0.00 H new ATOM 1132 N ALA A 69 -18.368 -15.752 -11.497 1.00 0.00 N ATOM 1133 CA ALA A 69 -18.474 -16.160 -12.890 1.00 0.00 C ATOM 1134 C ALA A 69 -18.390 -17.698 -12.973 1.00 0.00 C ATOM 1135 O ALA A 69 -18.042 -18.340 -11.973 1.00 0.00 O ATOM 1136 CB ALA A 69 -17.333 -15.489 -13.662 1.00 0.00 C ATOM 0 H ALA A 69 -17.496 -15.269 -11.281 1.00 0.00 H new ATOM 0 HA ALA A 69 -19.426 -15.856 -13.326 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -17.386 -15.776 -14.712 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -17.424 -14.406 -13.577 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -16.377 -15.807 -13.247 1.00 0.00 H new ATOM 1142 N PRO A 70 -18.681 -18.313 -14.135 1.00 0.00 N ATOM 1143 CA PRO A 70 -18.423 -19.728 -14.365 1.00 0.00 C ATOM 1144 C PRO A 70 -17.000 -20.123 -13.956 1.00 0.00 C ATOM 1145 O PRO A 70 -16.032 -19.411 -14.243 1.00 0.00 O ATOM 1146 CB PRO A 70 -18.672 -19.959 -15.859 1.00 0.00 C ATOM 1147 CG PRO A 70 -19.713 -18.893 -16.197 1.00 0.00 C ATOM 1148 CD PRO A 70 -19.290 -17.719 -15.316 1.00 0.00 C ATOM 0 HA PRO A 70 -19.076 -20.352 -13.755 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -17.761 -19.835 -16.445 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -19.044 -20.964 -16.056 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -19.696 -18.632 -17.255 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -20.725 -19.228 -15.967 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -18.584 -17.072 -15.837 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -20.148 -17.103 -15.046 1.00 0.00 H new ATOM 1156 N ASP A 71 -16.875 -21.287 -13.319 1.00 0.00 N ATOM 1157 CA ASP A 71 -15.600 -21.822 -12.845 1.00 0.00 C ATOM 1158 C ASP A 71 -14.590 -21.987 -13.981 1.00 0.00 C ATOM 1159 O ASP A 71 -13.394 -21.824 -13.755 1.00 0.00 O ATOM 1160 CB ASP A 71 -15.799 -23.160 -12.121 1.00 0.00 C ATOM 1161 CG ASP A 71 -16.077 -24.332 -13.081 1.00 0.00 C ATOM 1162 OD1 ASP A 71 -17.217 -24.434 -13.588 1.00 0.00 O ATOM 1163 OD2 ASP A 71 -15.180 -25.172 -13.310 1.00 0.00 O ATOM 0 H ASP A 71 -17.669 -21.894 -13.115 1.00 0.00 H new ATOM 0 HA ASP A 71 -15.196 -21.095 -12.140 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -14.909 -23.384 -11.533 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -16.629 -23.067 -11.421 1.00 0.00 H new ATOM 1168 N ASP A 72 -15.064 -22.238 -15.206 1.00 0.00 N ATOM 1169 CA ASP A 72 -14.224 -22.395 -16.393 1.00 0.00 C ATOM 1170 C ASP A 72 -13.424 -21.126 -16.706 1.00 0.00 C ATOM 1171 O ASP A 72 -12.297 -21.212 -17.195 1.00 0.00 O ATOM 1172 CB ASP A 72 -15.101 -22.759 -17.596 1.00 0.00 C ATOM 1173 CG ASP A 72 -14.265 -22.889 -18.881 1.00 0.00 C ATOM 1174 OD1 ASP A 72 -13.550 -23.903 -19.041 1.00 0.00 O ATOM 1175 OD2 ASP A 72 -14.361 -22.006 -19.762 1.00 0.00 O ATOM 0 H ASP A 72 -16.060 -22.339 -15.401 1.00 0.00 H new ATOM 0 HA ASP A 72 -13.510 -23.193 -16.190 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -15.618 -23.698 -17.400 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -15.867 -21.996 -17.734 1.00 0.00 H new ATOM 1180 N GLU A 73 -13.972 -19.946 -16.398 1.00 0.00 N ATOM 1181 CA GLU A 73 -13.267 -18.680 -16.585 1.00 0.00 C ATOM 1182 C GLU A 73 -12.318 -18.406 -15.412 1.00 0.00 C ATOM 1183 O GLU A 73 -11.379 -17.621 -15.549 1.00 0.00 O ATOM 1184 CB GLU A 73 -14.269 -17.524 -16.753 1.00 0.00 C ATOM 1185 CG GLU A 73 -15.094 -17.672 -18.041 1.00 0.00 C ATOM 1186 CD GLU A 73 -15.902 -16.402 -18.361 1.00 0.00 C ATOM 1187 OE1 GLU A 73 -15.318 -15.417 -18.870 1.00 0.00 O ATOM 1188 OE2 GLU A 73 -17.136 -16.391 -18.154 1.00 0.00 O ATOM 0 H GLU A 73 -14.912 -19.845 -16.014 1.00 0.00 H new ATOM 0 HA GLU A 73 -12.670 -18.753 -17.494 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -14.938 -17.494 -15.893 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -13.732 -16.576 -16.772 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -14.428 -17.896 -18.874 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -15.774 -18.518 -17.940 1.00 0.00 H new ATOM 1195 N CYS A 74 -12.523 -19.069 -14.270 1.00 0.00 N ATOM 1196 CA CYS A 74 -11.845 -18.766 -13.017 1.00 0.00 C ATOM 1197 C CYS A 74 -10.679 -19.721 -12.733 1.00 0.00 C ATOM 1198 O CYS A 74 -10.254 -19.854 -11.587 1.00 0.00 O ATOM 1199 CB CYS A 74 -12.860 -18.759 -11.871 1.00 0.00 C ATOM 1200 SG CYS A 74 -14.182 -17.554 -12.187 1.00 0.00 S ATOM 0 H CYS A 74 -13.179 -19.846 -14.195 1.00 0.00 H new ATOM 0 HA CYS A 74 -11.403 -17.774 -13.105 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -13.289 -19.754 -11.753 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -12.357 -18.516 -10.935 1.00 0.00 H new ATOM 0 HG CYS A 74 -15.056 -18.072 -12.998 1.00 0.00 H new ATOM 1206 N LEU A 75 -10.154 -20.399 -13.757 1.00 0.00 N ATOM 1207 CA LEU A 75 -9.067 -21.378 -13.639 1.00 0.00 C ATOM 1208 C LEU A 75 -7.694 -20.713 -13.445 1.00 0.00 C ATOM 1209 O LEU A 75 -6.691 -21.418 -13.334 1.00 0.00 O ATOM 1210 CB LEU A 75 -9.055 -22.299 -14.878 1.00 0.00 C ATOM 1211 CG LEU A 75 -10.245 -23.277 -14.959 1.00 0.00 C ATOM 1212 CD1 LEU A 75 -10.289 -23.939 -16.340 1.00 0.00 C ATOM 1213 CD2 LEU A 75 -10.171 -24.386 -13.899 1.00 0.00 C ATOM 0 H LEU A 75 -10.481 -20.280 -14.716 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.256 -21.972 -12.745 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -9.048 -21.680 -15.775 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.128 -22.873 -14.879 1.00 0.00 H new ATOM 0 HG LEU A 75 -11.143 -22.686 -14.779 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -11.133 -24.628 -16.387 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -10.403 -23.173 -17.107 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -9.363 -24.488 -16.510 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -11.033 -25.045 -14.002 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -9.255 -24.961 -14.037 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -10.172 -23.940 -12.905 1.00 0.00 H new ATOM 1225 N LYS A 76 -7.626 -19.377 -13.413 1.00 0.00 N ATOM 1226 CA LYS A 76 -6.379 -18.627 -13.236 1.00 0.00 C ATOM 1227 C LYS A 76 -6.556 -17.327 -12.449 1.00 0.00 C ATOM 1228 O LYS A 76 -5.591 -16.842 -11.863 1.00 0.00 O ATOM 1229 CB LYS A 76 -5.741 -18.342 -14.610 1.00 0.00 C ATOM 1230 CG LYS A 76 -6.619 -17.497 -15.555 1.00 0.00 C ATOM 1231 CD LYS A 76 -5.969 -17.258 -16.926 1.00 0.00 C ATOM 1232 CE LYS A 76 -4.712 -16.381 -16.822 1.00 0.00 C ATOM 1233 NZ LYS A 76 -4.122 -16.086 -18.153 1.00 0.00 N ATOM 0 H LYS A 76 -8.447 -18.779 -13.511 1.00 0.00 H new ATOM 0 HA LYS A 76 -5.717 -19.254 -12.639 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -4.793 -17.827 -14.457 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -5.514 -19.291 -15.096 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -7.577 -17.997 -15.696 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -6.827 -16.536 -15.085 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -5.706 -18.216 -17.375 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -6.690 -16.781 -17.591 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -4.964 -15.445 -16.323 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -3.971 -16.884 -16.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -3.277 -15.492 -18.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -3.857 -16.976 -18.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -4.819 -15.583 -18.738 1.00 0.00 H new ATOM 1247 N ASP A 77 -7.756 -16.749 -12.426 1.00 0.00 N ATOM 1248 CA ASP A 77 -8.019 -15.437 -11.835 1.00 0.00 C ATOM 1249 C ASP A 77 -9.491 -15.419 -11.443 1.00 0.00 C ATOM 1250 O ASP A 77 -10.310 -15.939 -12.199 1.00 0.00 O ATOM 1251 CB ASP A 77 -7.728 -14.353 -12.883 1.00 0.00 C ATOM 1252 CG ASP A 77 -8.077 -12.946 -12.379 1.00 0.00 C ATOM 1253 OD1 ASP A 77 -7.416 -12.472 -11.429 1.00 0.00 O ATOM 1254 OD2 ASP A 77 -8.964 -12.296 -12.969 1.00 0.00 O ATOM 0 H ASP A 77 -8.587 -17.186 -12.824 1.00 0.00 H new ATOM 0 HA ASP A 77 -7.392 -15.249 -10.964 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -6.673 -14.388 -13.155 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -8.298 -14.564 -13.788 1.00 0.00 H new ATOM 1259 N MET A 78 -9.848 -14.910 -10.262 1.00 0.00 N ATOM 1260 CA MET A 78 -11.242 -14.920 -9.822 1.00 0.00 C ATOM 1261 C MET A 78 -12.040 -13.870 -10.607 1.00 0.00 C ATOM 1262 O MET A 78 -11.668 -12.694 -10.629 1.00 0.00 O ATOM 1263 CB MET A 78 -11.321 -14.655 -8.310 1.00 0.00 C ATOM 1264 CG MET A 78 -10.724 -15.786 -7.459 1.00 0.00 C ATOM 1265 SD MET A 78 -11.512 -17.416 -7.636 1.00 0.00 S ATOM 1266 CE MET A 78 -10.294 -18.266 -8.678 1.00 0.00 C ATOM 0 H MET A 78 -9.197 -14.490 -9.599 1.00 0.00 H new ATOM 0 HA MET A 78 -11.676 -15.901 -10.016 1.00 0.00 H new ATOM 0 HB2 MET A 78 -10.798 -13.726 -8.084 1.00 0.00 H new ATOM 0 HB3 MET A 78 -12.364 -14.510 -8.028 1.00 0.00 H new ATOM 0 HG2 MET A 78 -9.668 -15.885 -7.711 1.00 0.00 H new ATOM 0 HG3 MET A 78 -10.775 -15.491 -6.411 1.00 0.00 H new ATOM 0 HE1 MET A 78 -10.632 -19.283 -8.878 1.00 0.00 H new ATOM 0 HE2 MET A 78 -10.183 -17.729 -9.620 1.00 0.00 H new ATOM 0 HE3 MET A 78 -9.334 -18.298 -8.163 1.00 0.00 H new ATOM 1276 N TYR A 79 -13.171 -14.274 -11.193 1.00 0.00 N ATOM 1277 CA TYR A 79 -14.072 -13.404 -11.946 1.00 0.00 C ATOM 1278 C TYR A 79 -15.466 -13.463 -11.324 1.00 0.00 C ATOM 1279 O TYR A 79 -15.854 -14.483 -10.748 1.00 0.00 O ATOM 1280 CB TYR A 79 -14.157 -13.854 -13.414 1.00 0.00 C ATOM 1281 CG TYR A 79 -12.973 -13.517 -14.296 1.00 0.00 C ATOM 1282 CD1 TYR A 79 -12.930 -12.283 -14.970 1.00 0.00 C ATOM 1283 CD2 TYR A 79 -11.961 -14.469 -14.515 1.00 0.00 C ATOM 1284 CE1 TYR A 79 -11.878 -11.996 -15.856 1.00 0.00 C ATOM 1285 CE2 TYR A 79 -10.899 -14.187 -15.391 1.00 0.00 C ATOM 1286 CZ TYR A 79 -10.850 -12.944 -16.065 1.00 0.00 C ATOM 1287 OH TYR A 79 -9.837 -12.657 -16.932 1.00 0.00 O ATOM 0 H TYR A 79 -13.491 -15.242 -11.154 1.00 0.00 H new ATOM 0 HA TYR A 79 -13.686 -12.385 -11.911 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -14.298 -14.935 -13.431 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -15.049 -13.409 -13.856 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -13.709 -11.553 -14.806 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -12.000 -15.421 -14.007 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -11.855 -11.051 -16.378 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -10.121 -14.919 -15.550 1.00 0.00 H new ATOM 0 HH TYR A 79 -9.210 -13.410 -16.963 1.00 0.00 H new ATOM 1297 N VAL A 80 -16.240 -12.392 -11.487 1.00 0.00 N ATOM 1298 CA VAL A 80 -17.568 -12.243 -10.903 1.00 0.00 C ATOM 1299 C VAL A 80 -18.505 -11.652 -11.953 1.00 0.00 C ATOM 1300 O VAL A 80 -18.091 -10.826 -12.767 1.00 0.00 O ATOM 1301 CB VAL A 80 -17.511 -11.371 -9.628 1.00 0.00 C ATOM 1302 CG1 VAL A 80 -16.965 -12.156 -8.428 1.00 0.00 C ATOM 1303 CG2 VAL A 80 -16.687 -10.078 -9.785 1.00 0.00 C ATOM 0 H VAL A 80 -15.953 -11.586 -12.042 1.00 0.00 H new ATOM 0 HA VAL A 80 -17.951 -13.218 -10.601 1.00 0.00 H new ATOM 0 HB VAL A 80 -18.548 -11.083 -9.452 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -16.940 -11.509 -7.551 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -17.610 -13.012 -8.229 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -15.957 -12.505 -8.650 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -16.697 -9.524 -8.846 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -15.659 -10.331 -10.046 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -17.121 -9.464 -10.574 1.00 0.00 H new ATOM 1313 N GLU A 81 -19.768 -12.071 -11.942 1.00 0.00 N ATOM 1314 CA GLU A 81 -20.803 -11.447 -12.758 1.00 0.00 C ATOM 1315 C GLU A 81 -21.208 -10.145 -12.071 1.00 0.00 C ATOM 1316 O GLU A 81 -21.320 -10.096 -10.842 1.00 0.00 O ATOM 1317 CB GLU A 81 -22.015 -12.377 -12.908 1.00 0.00 C ATOM 1318 CG GLU A 81 -21.687 -13.623 -13.741 1.00 0.00 C ATOM 1319 CD GLU A 81 -22.952 -14.444 -14.051 1.00 0.00 C ATOM 1320 OE1 GLU A 81 -23.439 -15.187 -13.169 1.00 0.00 O ATOM 1321 OE2 GLU A 81 -23.464 -14.369 -15.191 1.00 0.00 O ATOM 0 H GLU A 81 -20.100 -12.848 -11.371 1.00 0.00 H new ATOM 0 HA GLU A 81 -20.424 -11.248 -13.760 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -22.361 -12.682 -11.921 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -22.833 -11.832 -13.378 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -21.209 -13.323 -14.674 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -20.972 -14.244 -13.202 1.00 0.00 H new ATOM 1328 N VAL A 82 -21.440 -9.093 -12.853 1.00 0.00 N ATOM 1329 CA VAL A 82 -21.699 -7.756 -12.342 1.00 0.00 C ATOM 1330 C VAL A 82 -22.768 -7.082 -13.189 1.00 0.00 C ATOM 1331 O VAL A 82 -22.756 -7.196 -14.413 1.00 0.00 O ATOM 1332 CB VAL A 82 -20.407 -6.910 -12.322 1.00 0.00 C ATOM 1333 CG1 VAL A 82 -19.479 -7.330 -11.179 1.00 0.00 C ATOM 1334 CG2 VAL A 82 -19.613 -6.932 -13.638 1.00 0.00 C ATOM 0 H VAL A 82 -21.453 -9.150 -13.871 1.00 0.00 H new ATOM 0 HA VAL A 82 -22.057 -7.838 -11.316 1.00 0.00 H new ATOM 0 HB VAL A 82 -20.756 -5.888 -12.172 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -18.580 -6.714 -11.195 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -19.992 -7.198 -10.226 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -19.203 -8.378 -11.300 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -18.722 -6.312 -13.536 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -19.319 -7.956 -13.868 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -20.235 -6.543 -14.445 1.00 0.00 H new ATOM 1344 N ALA A 83 -23.663 -6.342 -12.545 1.00 0.00 N ATOM 1345 CA ALA A 83 -24.642 -5.501 -13.219 1.00 0.00 C ATOM 1346 C ALA A 83 -24.231 -4.049 -13.006 1.00 0.00 C ATOM 1347 O ALA A 83 -23.837 -3.666 -11.900 1.00 0.00 O ATOM 1348 CB ALA A 83 -26.046 -5.801 -12.696 1.00 0.00 C ATOM 0 H ALA A 83 -23.729 -6.310 -11.528 1.00 0.00 H new ATOM 0 HA ALA A 83 -24.668 -5.704 -14.290 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -26.769 -5.165 -13.208 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -26.288 -6.848 -12.882 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -26.085 -5.604 -11.625 1.00 0.00 H new ATOM 1354 N ASP A 84 -24.292 -3.250 -14.070 1.00 0.00 N ATOM 1355 CA ASP A 84 -23.743 -1.894 -14.118 1.00 0.00 C ATOM 1356 C ASP A 84 -24.706 -0.879 -13.511 1.00 0.00 C ATOM 1357 O ASP A 84 -25.238 -0.007 -14.197 1.00 0.00 O ATOM 1358 CB ASP A 84 -23.372 -1.533 -15.561 1.00 0.00 C ATOM 1359 CG ASP A 84 -22.743 -0.140 -15.674 1.00 0.00 C ATOM 1360 OD1 ASP A 84 -22.247 0.410 -14.671 1.00 0.00 O ATOM 1361 OD2 ASP A 84 -22.693 0.399 -16.802 1.00 0.00 O ATOM 0 H ASP A 84 -24.735 -3.533 -14.944 1.00 0.00 H new ATOM 0 HA ASP A 84 -22.837 -1.864 -13.513 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -22.675 -2.275 -15.950 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -24.265 -1.577 -16.184 1.00 0.00 H new ATOM 1366 N ILE A 85 -24.985 -1.012 -12.217 1.00 0.00 N ATOM 1367 CA ILE A 85 -25.853 -0.088 -11.483 1.00 0.00 C ATOM 1368 C ILE A 85 -25.347 1.368 -11.527 1.00 0.00 C ATOM 1369 O ILE A 85 -26.128 2.292 -11.296 1.00 0.00 O ATOM 1370 CB ILE A 85 -26.099 -0.589 -10.042 1.00 0.00 C ATOM 1371 CG1 ILE A 85 -24.812 -0.642 -9.192 1.00 0.00 C ATOM 1372 CG2 ILE A 85 -26.811 -1.956 -10.087 1.00 0.00 C ATOM 1373 CD1 ILE A 85 -25.057 -0.917 -7.702 1.00 0.00 C ATOM 0 H ILE A 85 -24.614 -1.768 -11.642 1.00 0.00 H new ATOM 0 HA ILE A 85 -26.816 -0.074 -11.993 1.00 0.00 H new ATOM 0 HB ILE A 85 -26.744 0.135 -9.543 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -24.157 -1.417 -9.591 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -24.283 0.306 -9.294 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -26.985 -2.309 -9.071 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -27.765 -1.852 -10.603 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -26.187 -2.674 -10.619 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -24.103 -0.939 -7.174 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -25.685 -0.129 -7.285 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -25.557 -1.879 -7.587 1.00 0.00 H new ATOM 1385 N GLY A 86 -24.068 1.587 -11.850 1.00 0.00 N ATOM 1386 CA GLY A 86 -23.466 2.901 -12.025 1.00 0.00 C ATOM 1387 C GLY A 86 -23.642 3.458 -13.441 1.00 0.00 C ATOM 1388 O GLY A 86 -23.217 4.589 -13.691 1.00 0.00 O ATOM 0 H GLY A 86 -23.407 0.825 -12.000 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -23.908 3.595 -11.310 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -22.402 2.841 -11.794 1.00 0.00 H new ATOM 1392 N GLY A 87 -24.253 2.708 -14.364 1.00 0.00 N ATOM 1393 CA GLY A 87 -24.392 3.088 -15.762 1.00 0.00 C ATOM 1394 C GLY A 87 -25.642 2.464 -16.368 1.00 0.00 C ATOM 1395 O GLY A 87 -26.731 3.025 -16.223 1.00 0.00 O ATOM 0 H GLY A 87 -24.671 1.803 -14.149 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -24.444 4.174 -15.845 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -23.512 2.768 -16.320 1.00 0.00 H new ATOM 1399 N LYS A 88 -25.497 1.332 -17.069 1.00 0.00 N ATOM 1400 CA LYS A 88 -26.594 0.737 -17.845 1.00 0.00 C ATOM 1401 C LYS A 88 -27.791 0.353 -16.976 1.00 0.00 C ATOM 1402 O LYS A 88 -28.922 0.440 -17.452 1.00 0.00 O ATOM 1403 CB LYS A 88 -26.116 -0.497 -18.632 1.00 0.00 C ATOM 1404 CG LYS A 88 -24.956 -0.246 -19.609 1.00 0.00 C ATOM 1405 CD LYS A 88 -25.255 0.833 -20.661 1.00 0.00 C ATOM 1406 CE LYS A 88 -24.094 0.929 -21.662 1.00 0.00 C ATOM 1407 NZ LYS A 88 -24.328 1.966 -22.698 1.00 0.00 N ATOM 0 H LYS A 88 -24.624 0.806 -17.115 1.00 0.00 H new ATOM 0 HA LYS A 88 -26.920 1.509 -18.542 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -25.810 -1.265 -17.921 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -26.960 -0.899 -19.192 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -24.073 0.047 -19.042 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -24.713 -1.179 -20.118 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -26.180 0.594 -21.186 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -25.406 1.796 -20.173 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -23.173 1.156 -21.126 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -23.952 -0.038 -22.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -23.518 1.994 -23.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -25.193 1.737 -23.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -24.437 2.894 -22.242 1.00 0.00 H new ATOM 1421 N ASP A 89 -27.544 -0.077 -15.736 1.00 0.00 N ATOM 1422 CA ASP A 89 -28.473 -0.527 -14.687 1.00 0.00 C ATOM 1423 C ASP A 89 -29.335 -1.751 -15.028 1.00 0.00 C ATOM 1424 O ASP A 89 -29.713 -2.505 -14.132 1.00 0.00 O ATOM 1425 CB ASP A 89 -29.332 0.646 -14.198 1.00 0.00 C ATOM 1426 CG ASP A 89 -30.256 0.237 -13.039 1.00 0.00 C ATOM 1427 OD1 ASP A 89 -29.763 0.059 -11.903 1.00 0.00 O ATOM 1428 OD2 ASP A 89 -31.488 0.148 -13.246 1.00 0.00 O ATOM 0 H ASP A 89 -26.581 -0.125 -15.402 1.00 0.00 H new ATOM 0 HA ASP A 89 -27.832 -0.884 -13.881 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -28.684 1.461 -13.875 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -29.933 1.025 -15.025 1.00 0.00 H new ATOM 1433 N ASP A 90 -29.591 -2.000 -16.310 1.00 0.00 N ATOM 1434 CA ASP A 90 -30.511 -3.017 -16.821 1.00 0.00 C ATOM 1435 C ASP A 90 -29.764 -4.089 -17.629 1.00 0.00 C ATOM 1436 O ASP A 90 -30.378 -4.924 -18.294 1.00 0.00 O ATOM 1437 CB ASP A 90 -31.561 -2.305 -17.682 1.00 0.00 C ATOM 1438 CG ASP A 90 -32.703 -3.231 -18.138 1.00 0.00 C ATOM 1439 OD1 ASP A 90 -33.362 -3.864 -17.281 1.00 0.00 O ATOM 1440 OD2 ASP A 90 -33.001 -3.278 -19.354 1.00 0.00 O ATOM 0 H ASP A 90 -29.141 -1.473 -17.059 1.00 0.00 H new ATOM 0 HA ASP A 90 -30.994 -3.535 -15.992 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -31.981 -1.473 -17.117 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -31.074 -1.881 -18.560 1.00 0.00 H new ATOM 1445 N ASP A 91 -28.429 -4.075 -17.577 1.00 0.00 N ATOM 1446 CA ASP A 91 -27.570 -5.035 -18.272 1.00 0.00 C ATOM 1447 C ASP A 91 -26.450 -5.521 -17.352 1.00 0.00 C ATOM 1448 O ASP A 91 -26.149 -4.906 -16.323 1.00 0.00 O ATOM 1449 CB ASP A 91 -27.008 -4.441 -19.573 1.00 0.00 C ATOM 1450 CG ASP A 91 -26.484 -5.502 -20.563 1.00 0.00 C ATOM 1451 OD1 ASP A 91 -26.799 -6.705 -20.417 1.00 0.00 O ATOM 1452 OD2 ASP A 91 -25.785 -5.123 -21.528 1.00 0.00 O ATOM 0 H ASP A 91 -27.906 -3.383 -17.040 1.00 0.00 H new ATOM 0 HA ASP A 91 -28.179 -5.897 -18.546 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -27.787 -3.855 -20.061 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -26.198 -3.754 -19.328 1.00 0.00 H new ATOM 1457 N VAL A 92 -25.831 -6.626 -17.751 1.00 0.00 N ATOM 1458 CA VAL A 92 -24.901 -7.415 -16.959 1.00 0.00 C ATOM 1459 C VAL A 92 -23.672 -7.791 -17.801 1.00 0.00 C ATOM 1460 O VAL A 92 -23.760 -7.981 -19.018 1.00 0.00 O ATOM 1461 CB VAL A 92 -25.685 -8.629 -16.393 1.00 0.00 C ATOM 1462 CG1 VAL A 92 -26.382 -9.473 -17.478 1.00 0.00 C ATOM 1463 CG2 VAL A 92 -24.843 -9.564 -15.515 1.00 0.00 C ATOM 0 H VAL A 92 -25.973 -7.014 -18.684 1.00 0.00 H new ATOM 0 HA VAL A 92 -24.501 -6.853 -16.115 1.00 0.00 H new ATOM 0 HB VAL A 92 -26.443 -8.157 -15.768 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -26.910 -10.304 -17.010 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -27.093 -8.851 -18.022 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -25.636 -9.862 -18.171 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -25.464 -10.386 -15.159 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -24.013 -9.962 -16.099 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -24.453 -9.009 -14.662 1.00 0.00 H new ATOM 1473 N TYR A 93 -22.529 -7.895 -17.124 1.00 0.00 N ATOM 1474 CA TYR A 93 -21.203 -8.171 -17.660 1.00 0.00 C ATOM 1475 C TYR A 93 -20.467 -9.096 -16.676 1.00 0.00 C ATOM 1476 O TYR A 93 -21.045 -9.560 -15.688 1.00 0.00 O ATOM 1477 CB TYR A 93 -20.444 -6.839 -17.834 1.00 0.00 C ATOM 1478 CG TYR A 93 -21.108 -5.837 -18.759 1.00 0.00 C ATOM 1479 CD1 TYR A 93 -20.827 -5.863 -20.138 1.00 0.00 C ATOM 1480 CD2 TYR A 93 -22.003 -4.879 -18.242 1.00 0.00 C ATOM 1481 CE1 TYR A 93 -21.433 -4.934 -21.000 1.00 0.00 C ATOM 1482 CE2 TYR A 93 -22.625 -3.955 -19.099 1.00 0.00 C ATOM 1483 CZ TYR A 93 -22.335 -3.975 -20.485 1.00 0.00 C ATOM 1484 OH TYR A 93 -22.903 -3.075 -21.335 1.00 0.00 O ATOM 0 H TYR A 93 -22.508 -7.779 -16.111 1.00 0.00 H new ATOM 0 HA TYR A 93 -21.268 -8.661 -18.631 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -20.320 -6.379 -16.854 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -19.445 -7.055 -18.214 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -20.144 -6.599 -20.534 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -22.212 -4.855 -17.183 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -21.210 -4.952 -22.057 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -23.322 -3.232 -18.702 1.00 0.00 H new ATOM 0 HH TYR A 93 -22.991 -3.476 -22.225 1.00 0.00 H new ATOM 1494 N THR A 94 -19.176 -9.331 -16.912 1.00 0.00 N ATOM 1495 CA THR A 94 -18.284 -10.025 -15.992 1.00 0.00 C ATOM 1496 C THR A 94 -17.113 -9.081 -15.700 1.00 0.00 C ATOM 1497 O THR A 94 -16.712 -8.303 -16.571 1.00 0.00 O ATOM 1498 CB THR A 94 -17.842 -11.362 -16.620 1.00 0.00 C ATOM 1499 OG1 THR A 94 -18.977 -12.126 -16.988 1.00 0.00 O ATOM 1500 CG2 THR A 94 -16.986 -12.221 -15.681 1.00 0.00 C ATOM 0 H THR A 94 -18.713 -9.035 -17.771 1.00 0.00 H new ATOM 0 HA THR A 94 -18.772 -10.275 -15.050 1.00 0.00 H new ATOM 0 HB THR A 94 -17.237 -11.097 -17.487 1.00 0.00 H new ATOM 0 HG1 THR A 94 -18.686 -12.972 -17.387 1.00 0.00 H new ATOM 0 HG21 THR A 94 -16.710 -13.147 -16.186 1.00 0.00 H new ATOM 0 HG22 THR A 94 -16.084 -11.673 -15.408 1.00 0.00 H new ATOM 0 HG23 THR A 94 -17.555 -12.454 -14.781 1.00 0.00 H new ATOM 1508 N ALA A 95 -16.570 -9.157 -14.485 1.00 0.00 N ATOM 1509 CA ALA A 95 -15.444 -8.359 -14.028 1.00 0.00 C ATOM 1510 C ALA A 95 -14.444 -9.248 -13.311 1.00 0.00 C ATOM 1511 O ALA A 95 -14.798 -10.288 -12.753 1.00 0.00 O ATOM 1512 CB ALA A 95 -15.921 -7.249 -13.089 1.00 0.00 C ATOM 0 H ALA A 95 -16.917 -9.799 -13.772 1.00 0.00 H new ATOM 0 HA ALA A 95 -14.965 -7.900 -14.893 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -15.065 -6.661 -12.756 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -16.622 -6.602 -13.617 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -16.416 -7.691 -12.224 1.00 0.00 H new ATOM 1518 N LYS A 96 -13.185 -8.818 -13.308 1.00 0.00 N ATOM 1519 CA LYS A 96 -12.146 -9.444 -12.510 1.00 0.00 C ATOM 1520 C LYS A 96 -12.471 -9.055 -11.075 1.00 0.00 C ATOM 1521 O LYS A 96 -12.559 -7.858 -10.788 1.00 0.00 O ATOM 1522 CB LYS A 96 -10.769 -8.899 -12.931 1.00 0.00 C ATOM 1523 CG LYS A 96 -10.431 -9.083 -14.428 1.00 0.00 C ATOM 1524 CD LYS A 96 -9.442 -8.025 -14.945 1.00 0.00 C ATOM 1525 CE LYS A 96 -10.106 -6.637 -15.038 1.00 0.00 C ATOM 1526 NZ LYS A 96 -9.139 -5.557 -15.360 1.00 0.00 N ATOM 0 H LYS A 96 -12.861 -8.025 -13.861 1.00 0.00 H new ATOM 0 HA LYS A 96 -12.110 -10.526 -12.635 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -10.725 -7.837 -12.691 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -10.001 -9.393 -12.336 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -10.009 -10.076 -14.582 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -11.349 -9.033 -15.013 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -8.580 -7.974 -14.280 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -9.071 -8.320 -15.927 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -10.884 -6.662 -15.801 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -10.596 -6.409 -14.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -9.345 -4.721 -14.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -8.172 -5.887 -15.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -9.222 -5.306 -16.366 1.00 0.00 H new ATOM 1540 N LEU A 97 -12.617 -10.014 -10.161 1.00 0.00 N ATOM 1541 CA LEU A 97 -12.734 -9.685 -8.739 1.00 0.00 C ATOM 1542 C LEU A 97 -11.476 -8.934 -8.288 1.00 0.00 C ATOM 1543 O LEU A 97 -11.544 -7.996 -7.499 1.00 0.00 O ATOM 1544 CB LEU A 97 -12.939 -10.969 -7.924 1.00 0.00 C ATOM 1545 CG LEU A 97 -13.134 -10.715 -6.417 1.00 0.00 C ATOM 1546 CD1 LEU A 97 -14.350 -9.821 -6.131 1.00 0.00 C ATOM 1547 CD2 LEU A 97 -13.305 -12.066 -5.722 1.00 0.00 C ATOM 0 H LEU A 97 -12.657 -11.011 -10.374 1.00 0.00 H new ATOM 0 HA LEU A 97 -13.598 -9.041 -8.575 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -13.809 -11.500 -8.310 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -12.078 -11.622 -8.066 1.00 0.00 H new ATOM 0 HG LEU A 97 -12.258 -10.189 -6.037 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -14.446 -9.671 -5.056 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -14.216 -8.857 -6.622 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -15.252 -10.300 -6.512 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -13.445 -11.910 -4.652 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -14.176 -12.578 -6.131 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -12.416 -12.675 -5.887 1.00 0.00 H new ATOM 1559 N SER A 98 -10.345 -9.310 -8.881 1.00 0.00 N ATOM 1560 CA SER A 98 -9.028 -8.703 -8.808 1.00 0.00 C ATOM 1561 C SER A 98 -8.997 -7.204 -9.163 1.00 0.00 C ATOM 1562 O SER A 98 -7.981 -6.554 -8.916 1.00 0.00 O ATOM 1563 CB SER A 98 -8.127 -9.511 -9.757 1.00 0.00 C ATOM 1564 OG SER A 98 -8.448 -10.890 -9.650 1.00 0.00 O ATOM 0 H SER A 98 -10.333 -10.132 -9.485 1.00 0.00 H new ATOM 0 HA SER A 98 -8.682 -8.737 -7.775 1.00 0.00 H new ATOM 0 HB2 SER A 98 -8.265 -9.173 -10.784 1.00 0.00 H new ATOM 0 HB3 SER A 98 -7.079 -9.350 -9.507 1.00 0.00 H new ATOM 0 HG SER A 98 -8.113 -11.366 -10.439 1.00 0.00 H new ATOM 1570 N ASP A 99 -10.075 -6.647 -9.733 1.00 0.00 N ATOM 1571 CA ASP A 99 -10.144 -5.251 -10.182 1.00 0.00 C ATOM 1572 C ASP A 99 -11.359 -4.522 -9.587 1.00 0.00 C ATOM 1573 O ASP A 99 -11.748 -3.442 -10.036 1.00 0.00 O ATOM 1574 CB ASP A 99 -10.127 -5.243 -11.718 1.00 0.00 C ATOM 1575 CG ASP A 99 -9.720 -3.910 -12.361 1.00 0.00 C ATOM 1576 OD1 ASP A 99 -8.882 -3.177 -11.791 1.00 0.00 O ATOM 1577 OD2 ASP A 99 -10.139 -3.693 -13.525 1.00 0.00 O ATOM 0 H ASP A 99 -10.939 -7.164 -9.897 1.00 0.00 H new ATOM 0 HA ASP A 99 -9.279 -4.695 -9.820 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -9.442 -6.018 -12.062 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -11.120 -5.513 -12.078 1.00 0.00 H new ATOM 1582 N ILE A 100 -11.952 -5.114 -8.548 1.00 0.00 N ATOM 1583 CA ILE A 100 -13.124 -4.611 -7.841 1.00 0.00 C ATOM 1584 C ILE A 100 -12.760 -4.358 -6.379 1.00 0.00 C ATOM 1585 O ILE A 100 -11.853 -4.969 -5.811 1.00 0.00 O ATOM 1586 CB ILE A 100 -14.318 -5.589 -8.047 1.00 0.00 C ATOM 1587 CG1 ILE A 100 -15.141 -5.085 -9.250 1.00 0.00 C ATOM 1588 CG2 ILE A 100 -15.245 -5.810 -6.832 1.00 0.00 C ATOM 1589 CD1 ILE A 100 -16.232 -6.044 -9.727 1.00 0.00 C ATOM 0 H ILE A 100 -11.611 -5.995 -8.163 1.00 0.00 H new ATOM 0 HA ILE A 100 -13.451 -3.653 -8.244 1.00 0.00 H new ATOM 0 HB ILE A 100 -13.874 -6.570 -8.215 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -15.603 -4.135 -8.983 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -14.462 -4.888 -10.080 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -16.036 -6.510 -7.101 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -14.667 -6.217 -6.002 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -15.687 -4.859 -6.534 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -16.757 -5.605 -10.575 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -15.779 -6.988 -10.030 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -16.938 -6.224 -8.917 1.00 0.00 H new ATOM 1601 N GLU A 101 -13.529 -3.458 -5.780 1.00 0.00 N ATOM 1602 CA GLU A 101 -13.492 -3.102 -4.373 1.00 0.00 C ATOM 1603 C GLU A 101 -14.895 -3.373 -3.836 1.00 0.00 C ATOM 1604 O GLU A 101 -15.864 -2.807 -4.340 1.00 0.00 O ATOM 1605 CB GLU A 101 -13.079 -1.628 -4.253 1.00 0.00 C ATOM 1606 CG GLU A 101 -13.094 -1.128 -2.802 1.00 0.00 C ATOM 1607 CD GLU A 101 -12.421 0.251 -2.662 1.00 0.00 C ATOM 1608 OE1 GLU A 101 -12.774 1.197 -3.404 1.00 0.00 O ATOM 1609 OE2 GLU A 101 -11.531 0.402 -1.793 1.00 0.00 O ATOM 0 H GLU A 101 -14.233 -2.929 -6.294 1.00 0.00 H new ATOM 0 HA GLU A 101 -12.768 -3.677 -3.796 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -12.079 -1.500 -4.667 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -13.753 -1.016 -4.852 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -14.124 -1.067 -2.450 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -12.581 -1.848 -2.165 1.00 0.00 H new ATOM 1616 N ALA A 102 -15.018 -4.275 -2.861 1.00 0.00 N ATOM 1617 CA ALA A 102 -16.308 -4.663 -2.311 1.00 0.00 C ATOM 1618 C ALA A 102 -16.793 -3.588 -1.343 1.00 0.00 C ATOM 1619 O ALA A 102 -16.011 -3.071 -0.541 1.00 0.00 O ATOM 1620 CB ALA A 102 -16.174 -6.003 -1.589 1.00 0.00 C ATOM 0 H ALA A 102 -14.225 -4.754 -2.434 1.00 0.00 H new ATOM 0 HA ALA A 102 -17.034 -4.767 -3.117 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -17.141 -6.293 -1.177 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -15.837 -6.764 -2.293 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -15.449 -5.910 -0.781 1.00 0.00 H new ATOM 1626 N ILE A 103 -18.089 -3.289 -1.399 1.00 0.00 N ATOM 1627 CA ILE A 103 -18.730 -2.241 -0.611 1.00 0.00 C ATOM 1628 C ILE A 103 -19.989 -2.821 0.044 1.00 0.00 C ATOM 1629 O ILE A 103 -20.704 -3.621 -0.560 1.00 0.00 O ATOM 1630 CB ILE A 103 -19.030 -1.040 -1.542 1.00 0.00 C ATOM 1631 CG1 ILE A 103 -17.709 -0.369 -1.987 1.00 0.00 C ATOM 1632 CG2 ILE A 103 -19.967 0.006 -0.902 1.00 0.00 C ATOM 1633 CD1 ILE A 103 -17.897 0.655 -3.103 1.00 0.00 C ATOM 0 H ILE A 103 -18.739 -3.783 -2.011 1.00 0.00 H new ATOM 0 HA ILE A 103 -18.084 -1.881 0.190 1.00 0.00 H new ATOM 0 HB ILE A 103 -19.555 -1.440 -2.409 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -17.251 0.121 -1.128 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -17.014 -1.139 -2.323 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -20.137 0.821 -1.606 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -20.919 -0.463 -0.652 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -19.508 0.399 0.005 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -16.932 1.087 -3.367 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -18.327 0.166 -3.977 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -18.567 1.445 -2.763 1.00 0.00 H new ATOM 1645 N ASP A 104 -20.273 -2.361 1.268 1.00 0.00 N ATOM 1646 CA ASP A 104 -21.511 -2.625 2.012 1.00 0.00 C ATOM 1647 C ASP A 104 -21.849 -4.122 2.108 1.00 0.00 C ATOM 1648 O ASP A 104 -23.010 -4.527 2.022 1.00 0.00 O ATOM 1649 CB ASP A 104 -22.656 -1.752 1.466 1.00 0.00 C ATOM 1650 CG ASP A 104 -23.920 -1.812 2.345 1.00 0.00 C ATOM 1651 OD1 ASP A 104 -23.816 -1.683 3.587 1.00 0.00 O ATOM 1652 OD2 ASP A 104 -25.041 -1.919 1.795 1.00 0.00 O ATOM 0 H ASP A 104 -19.622 -1.772 1.788 1.00 0.00 H new ATOM 0 HA ASP A 104 -21.355 -2.330 3.050 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -22.317 -0.719 1.394 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -22.905 -2.077 0.456 1.00 0.00 H new ATOM 1657 N VAL A 105 -20.816 -4.954 2.278 1.00 0.00 N ATOM 1658 CA VAL A 105 -20.950 -6.406 2.395 1.00 0.00 C ATOM 1659 C VAL A 105 -20.512 -6.878 3.791 1.00 0.00 C ATOM 1660 O VAL A 105 -19.943 -6.105 4.569 1.00 0.00 O ATOM 1661 CB VAL A 105 -20.215 -7.077 1.212 1.00 0.00 C ATOM 1662 CG1 VAL A 105 -18.687 -7.144 1.362 1.00 0.00 C ATOM 1663 CG2 VAL A 105 -20.814 -8.452 0.909 1.00 0.00 C ATOM 0 H VAL A 105 -19.850 -4.631 2.339 1.00 0.00 H new ATOM 0 HA VAL A 105 -21.993 -6.714 2.318 1.00 0.00 H new ATOM 0 HB VAL A 105 -20.379 -6.423 0.356 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -18.256 -7.630 0.486 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -18.286 -6.135 1.451 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -18.434 -7.715 2.255 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -20.281 -8.905 0.073 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -20.721 -9.091 1.787 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -21.867 -8.341 0.650 1.00 0.00 H new ATOM 1673 N ASP A 106 -20.803 -8.141 4.120 1.00 0.00 N ATOM 1674 CA ASP A 106 -20.432 -8.753 5.393 1.00 0.00 C ATOM 1675 C ASP A 106 -18.915 -8.841 5.521 1.00 0.00 C ATOM 1676 O ASP A 106 -18.198 -8.974 4.527 1.00 0.00 O ATOM 1677 CB ASP A 106 -21.018 -10.162 5.504 1.00 0.00 C ATOM 1678 CG ASP A 106 -20.657 -10.819 6.845 1.00 0.00 C ATOM 1679 OD1 ASP A 106 -21.280 -10.468 7.872 1.00 0.00 O ATOM 1680 OD2 ASP A 106 -19.738 -11.665 6.877 1.00 0.00 O ATOM 0 H ASP A 106 -21.309 -8.772 3.499 1.00 0.00 H new ATOM 0 HA ASP A 106 -20.832 -8.128 6.192 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -22.102 -10.115 5.401 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -20.646 -10.777 4.685 1.00 0.00 H new ATOM 1685 N ASP A 107 -18.441 -8.806 6.762 1.00 0.00 N ATOM 1686 CA ASP A 107 -17.023 -8.809 7.097 1.00 0.00 C ATOM 1687 C ASP A 107 -16.297 -10.002 6.486 1.00 0.00 C ATOM 1688 O ASP A 107 -15.220 -9.820 5.928 1.00 0.00 O ATOM 1689 CB ASP A 107 -16.849 -8.806 8.618 1.00 0.00 C ATOM 1690 CG ASP A 107 -15.363 -8.861 9.009 1.00 0.00 C ATOM 1691 OD1 ASP A 107 -14.670 -7.825 8.899 1.00 0.00 O ATOM 1692 OD2 ASP A 107 -14.900 -9.920 9.490 1.00 0.00 O ATOM 0 H ASP A 107 -19.047 -8.774 7.582 1.00 0.00 H new ATOM 0 HA ASP A 107 -16.579 -7.907 6.677 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -17.305 -7.909 9.037 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -17.373 -9.660 9.048 1.00 0.00 H new ATOM 1697 N ASP A 108 -16.881 -11.203 6.516 1.00 0.00 N ATOM 1698 CA ASP A 108 -16.190 -12.393 6.017 1.00 0.00 C ATOM 1699 C ASP A 108 -16.134 -12.400 4.485 1.00 0.00 C ATOM 1700 O ASP A 108 -15.198 -12.937 3.895 1.00 0.00 O ATOM 1701 CB ASP A 108 -16.862 -13.671 6.537 1.00 0.00 C ATOM 1702 CG ASP A 108 -15.955 -14.913 6.457 1.00 0.00 C ATOM 1703 OD1 ASP A 108 -14.719 -14.804 6.625 1.00 0.00 O ATOM 1704 OD2 ASP A 108 -16.495 -16.034 6.326 1.00 0.00 O ATOM 0 H ASP A 108 -17.820 -11.376 6.876 1.00 0.00 H new ATOM 0 HA ASP A 108 -15.167 -12.364 6.391 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -17.166 -13.518 7.573 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -17.770 -13.855 5.963 1.00 0.00 H new ATOM 1709 N THR A 109 -17.110 -11.757 3.835 1.00 0.00 N ATOM 1710 CA THR A 109 -17.118 -11.571 2.388 1.00 0.00 C ATOM 1711 C THR A 109 -16.042 -10.550 2.015 1.00 0.00 C ATOM 1712 O THR A 109 -15.210 -10.827 1.150 1.00 0.00 O ATOM 1713 CB THR A 109 -18.529 -11.137 1.955 1.00 0.00 C ATOM 1714 OG1 THR A 109 -19.437 -12.154 2.316 1.00 0.00 O ATOM 1715 CG2 THR A 109 -18.688 -10.963 0.451 1.00 0.00 C ATOM 0 H THR A 109 -17.919 -11.350 4.305 1.00 0.00 H new ATOM 0 HA THR A 109 -16.884 -12.497 1.863 1.00 0.00 H new ATOM 0 HB THR A 109 -18.711 -10.178 2.441 1.00 0.00 H new ATOM 0 HG1 THR A 109 -19.074 -13.025 2.053 1.00 0.00 H new ATOM 0 HG21 THR A 109 -19.710 -10.656 0.226 1.00 0.00 H new ATOM 0 HG22 THR A 109 -17.994 -10.200 0.098 1.00 0.00 H new ATOM 0 HG23 THR A 109 -18.474 -11.908 -0.049 1.00 0.00 H new ATOM 1723 N GLN A 110 -16.012 -9.400 2.698 1.00 0.00 N ATOM 1724 CA GLN A 110 -15.028 -8.360 2.448 1.00 0.00 C ATOM 1725 C GLN A 110 -13.618 -8.928 2.659 1.00 0.00 C ATOM 1726 O GLN A 110 -12.757 -8.756 1.800 1.00 0.00 O ATOM 1727 CB GLN A 110 -15.324 -7.146 3.354 1.00 0.00 C ATOM 1728 CG GLN A 110 -14.885 -5.804 2.749 1.00 0.00 C ATOM 1729 CD GLN A 110 -13.376 -5.705 2.513 1.00 0.00 C ATOM 1730 OE1 GLN A 110 -12.586 -5.639 3.451 1.00 0.00 O ATOM 1731 NE2 GLN A 110 -12.944 -5.695 1.261 1.00 0.00 N ATOM 0 H GLN A 110 -16.674 -9.171 3.440 1.00 0.00 H new ATOM 0 HA GLN A 110 -15.086 -8.015 1.415 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -16.394 -7.109 3.560 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -14.820 -7.286 4.310 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -15.403 -5.655 1.802 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -15.195 -4.997 3.413 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -13.611 -5.750 0.491 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -11.945 -5.632 1.067 1.00 0.00 H new ATOM 1740 N GLU A 111 -13.392 -9.656 3.754 1.00 0.00 N ATOM 1741 CA GLU A 111 -12.093 -10.230 4.076 1.00 0.00 C ATOM 1742 C GLU A 111 -11.667 -11.270 3.036 1.00 0.00 C ATOM 1743 O GLU A 111 -10.491 -11.297 2.682 1.00 0.00 O ATOM 1744 CB GLU A 111 -12.117 -10.848 5.483 1.00 0.00 C ATOM 1745 CG GLU A 111 -12.087 -9.795 6.605 1.00 0.00 C ATOM 1746 CD GLU A 111 -10.701 -9.141 6.753 1.00 0.00 C ATOM 1747 OE1 GLU A 111 -9.819 -9.723 7.427 1.00 0.00 O ATOM 1748 OE2 GLU A 111 -10.480 -8.032 6.219 1.00 0.00 O ATOM 0 H GLU A 111 -14.113 -9.863 4.445 1.00 0.00 H new ATOM 0 HA GLU A 111 -11.357 -9.426 4.058 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -13.013 -11.459 5.590 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -11.262 -11.515 5.595 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -12.830 -9.025 6.398 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -12.368 -10.264 7.548 1.00 0.00 H new ATOM 1755 N ALA A 112 -12.582 -12.095 2.510 1.00 0.00 N ATOM 1756 CA ALA A 112 -12.234 -13.078 1.484 1.00 0.00 C ATOM 1757 C ALA A 112 -11.731 -12.375 0.217 1.00 0.00 C ATOM 1758 O ALA A 112 -10.725 -12.779 -0.369 1.00 0.00 O ATOM 1759 CB ALA A 112 -13.441 -13.969 1.170 1.00 0.00 C ATOM 0 H ALA A 112 -13.566 -12.099 2.779 1.00 0.00 H new ATOM 0 HA ALA A 112 -11.431 -13.710 1.863 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -13.168 -14.696 0.405 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -13.751 -14.493 2.074 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -14.264 -13.353 0.807 1.00 0.00 H new ATOM 1765 N ILE A 113 -12.418 -11.306 -0.192 1.00 0.00 N ATOM 1766 CA ILE A 113 -12.071 -10.532 -1.379 1.00 0.00 C ATOM 1767 C ILE A 113 -10.735 -9.817 -1.139 1.00 0.00 C ATOM 1768 O ILE A 113 -9.846 -9.873 -1.990 1.00 0.00 O ATOM 1769 CB ILE A 113 -13.232 -9.562 -1.705 1.00 0.00 C ATOM 1770 CG1 ILE A 113 -14.515 -10.364 -2.037 1.00 0.00 C ATOM 1771 CG2 ILE A 113 -12.864 -8.618 -2.865 1.00 0.00 C ATOM 1772 CD1 ILE A 113 -15.782 -9.509 -2.039 1.00 0.00 C ATOM 0 H ILE A 113 -13.239 -10.952 0.299 1.00 0.00 H new ATOM 0 HA ILE A 113 -11.937 -11.176 -2.248 1.00 0.00 H new ATOM 0 HB ILE A 113 -13.419 -8.945 -0.826 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -14.399 -10.831 -3.015 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -14.630 -11.169 -1.311 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -13.700 -7.949 -3.069 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -11.988 -8.030 -2.592 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -12.643 -9.206 -3.756 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -16.642 -10.134 -2.279 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -15.921 -9.062 -1.054 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -15.687 -8.720 -2.785 1.00 0.00 H new ATOM 1784 N ALA A 114 -10.569 -9.182 0.026 1.00 0.00 N ATOM 1785 CA ALA A 114 -9.337 -8.500 0.391 1.00 0.00 C ATOM 1786 C ALA A 114 -8.165 -9.481 0.386 1.00 0.00 C ATOM 1787 O ALA A 114 -7.101 -9.161 -0.130 1.00 0.00 O ATOM 1788 CB ALA A 114 -9.491 -7.845 1.767 1.00 0.00 C ATOM 0 H ALA A 114 -11.294 -9.130 0.742 1.00 0.00 H new ATOM 0 HA ALA A 114 -9.131 -7.721 -0.343 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -8.565 -7.336 2.034 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -10.306 -7.122 1.737 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -9.712 -8.610 2.511 1.00 0.00 H new ATOM 1794 N ASP A 115 -8.359 -10.687 0.917 1.00 0.00 N ATOM 1795 CA ASP A 115 -7.301 -11.686 1.010 1.00 0.00 C ATOM 1796 C ASP A 115 -6.895 -12.221 -0.364 1.00 0.00 C ATOM 1797 O ASP A 115 -5.708 -12.442 -0.596 1.00 0.00 O ATOM 1798 CB ASP A 115 -7.723 -12.834 1.926 1.00 0.00 C ATOM 1799 CG ASP A 115 -6.559 -13.808 2.133 1.00 0.00 C ATOM 1800 OD1 ASP A 115 -5.546 -13.425 2.760 1.00 0.00 O ATOM 1801 OD2 ASP A 115 -6.675 -14.987 1.740 1.00 0.00 O ATOM 0 H ASP A 115 -9.255 -10.997 1.294 1.00 0.00 H new ATOM 0 HA ASP A 115 -6.429 -11.193 1.440 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -8.050 -12.439 2.888 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -8.573 -13.360 1.492 1.00 0.00 H new ATOM 1806 N TRP A 116 -7.842 -12.366 -1.301 1.00 0.00 N ATOM 1807 CA TRP A 116 -7.526 -12.674 -2.695 1.00 0.00 C ATOM 1808 C TRP A 116 -6.652 -11.567 -3.295 1.00 0.00 C ATOM 1809 O TRP A 116 -5.618 -11.855 -3.903 1.00 0.00 O ATOM 1810 CB TRP A 116 -8.820 -12.877 -3.505 1.00 0.00 C ATOM 1811 CG TRP A 116 -8.647 -12.881 -4.996 1.00 0.00 C ATOM 1812 CD1 TRP A 116 -8.998 -11.870 -5.824 1.00 0.00 C ATOM 1813 CD2 TRP A 116 -8.016 -13.886 -5.852 1.00 0.00 C ATOM 1814 NE1 TRP A 116 -8.624 -12.176 -7.115 1.00 0.00 N ATOM 1815 CE2 TRP A 116 -7.998 -13.398 -7.191 1.00 0.00 C ATOM 1816 CE3 TRP A 116 -7.428 -15.150 -5.639 1.00 0.00 C ATOM 1817 CZ2 TRP A 116 -7.411 -14.111 -8.247 1.00 0.00 C ATOM 1818 CZ3 TRP A 116 -6.850 -15.886 -6.690 1.00 0.00 C ATOM 1819 CH2 TRP A 116 -6.834 -15.366 -7.995 1.00 0.00 C ATOM 0 H TRP A 116 -8.840 -12.273 -1.112 1.00 0.00 H new ATOM 0 HA TRP A 116 -6.961 -13.605 -2.737 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -9.273 -13.822 -3.205 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -9.524 -12.088 -3.239 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -9.496 -10.961 -5.520 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -8.791 -11.569 -7.917 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -7.421 -15.565 -4.642 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -7.403 -13.698 -9.245 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -6.417 -16.855 -6.492 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -6.381 -15.928 -8.799 1.00 0.00 H new ATOM 1830 N LEU A 117 -7.034 -10.301 -3.094 1.00 0.00 N ATOM 1831 CA LEU A 117 -6.284 -9.159 -3.611 1.00 0.00 C ATOM 1832 C LEU A 117 -4.873 -9.140 -3.011 1.00 0.00 C ATOM 1833 O LEU A 117 -3.900 -8.968 -3.745 1.00 0.00 O ATOM 1834 CB LEU A 117 -7.028 -7.846 -3.305 1.00 0.00 C ATOM 1835 CG LEU A 117 -8.328 -7.663 -4.114 1.00 0.00 C ATOM 1836 CD1 LEU A 117 -9.223 -6.610 -3.454 1.00 0.00 C ATOM 1837 CD2 LEU A 117 -8.033 -7.239 -5.556 1.00 0.00 C ATOM 0 H LEU A 117 -7.870 -10.043 -2.569 1.00 0.00 H new ATOM 0 HA LEU A 117 -6.196 -9.255 -4.693 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -7.265 -7.813 -2.242 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -6.363 -7.007 -3.509 1.00 0.00 H new ATOM 0 HG LEU A 117 -8.841 -8.625 -4.130 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -10.137 -6.492 -4.037 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -9.476 -6.930 -2.443 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -8.694 -5.658 -3.412 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -8.970 -7.119 -6.099 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -7.491 -6.293 -5.554 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -7.427 -8.003 -6.043 1.00 0.00 H new ATOM 1849 N TYR A 118 -4.744 -9.354 -1.698 1.00 0.00 N ATOM 1850 CA TYR A 118 -3.460 -9.389 -1.008 1.00 0.00 C ATOM 1851 C TYR A 118 -2.590 -10.530 -1.539 1.00 0.00 C ATOM 1852 O TYR A 118 -1.414 -10.311 -1.831 1.00 0.00 O ATOM 1853 CB TYR A 118 -3.671 -9.532 0.510 1.00 0.00 C ATOM 1854 CG TYR A 118 -4.420 -8.420 1.234 1.00 0.00 C ATOM 1855 CD1 TYR A 118 -4.431 -7.092 0.755 1.00 0.00 C ATOM 1856 CD2 TYR A 118 -5.101 -8.728 2.430 1.00 0.00 C ATOM 1857 CE1 TYR A 118 -5.135 -6.090 1.448 1.00 0.00 C ATOM 1858 CE2 TYR A 118 -5.807 -7.733 3.128 1.00 0.00 C ATOM 1859 CZ TYR A 118 -5.831 -6.408 2.637 1.00 0.00 C ATOM 1860 OH TYR A 118 -6.521 -5.450 3.319 1.00 0.00 O ATOM 0 H TYR A 118 -5.541 -9.509 -1.081 1.00 0.00 H new ATOM 0 HA TYR A 118 -2.942 -8.449 -1.199 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -4.206 -10.465 0.687 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -2.691 -9.633 0.976 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -3.895 -6.844 -0.149 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -5.080 -9.738 2.813 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -5.144 -5.078 1.072 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -6.331 -7.981 4.039 1.00 0.00 H new ATOM 0 HH TYR A 118 -6.938 -5.849 4.111 1.00 0.00 H new ATOM 1870 N TRP A 119 -3.153 -11.731 -1.706 1.00 0.00 N ATOM 1871 CA TRP A 119 -2.429 -12.879 -2.235 1.00 0.00 C ATOM 1872 C TRP A 119 -1.863 -12.565 -3.621 1.00 0.00 C ATOM 1873 O TRP A 119 -0.680 -12.813 -3.865 1.00 0.00 O ATOM 1874 CB TRP A 119 -3.349 -14.107 -2.286 1.00 0.00 C ATOM 1875 CG TRP A 119 -2.878 -15.176 -3.223 1.00 0.00 C ATOM 1876 CD1 TRP A 119 -3.417 -15.436 -4.434 1.00 0.00 C ATOM 1877 CD2 TRP A 119 -1.717 -16.056 -3.107 1.00 0.00 C ATOM 1878 NE1 TRP A 119 -2.670 -16.398 -5.076 1.00 0.00 N ATOM 1879 CE2 TRP A 119 -1.606 -16.817 -4.309 1.00 0.00 C ATOM 1880 CE3 TRP A 119 -0.731 -16.273 -2.118 1.00 0.00 C ATOM 1881 CZ2 TRP A 119 -0.575 -17.745 -4.519 1.00 0.00 C ATOM 1882 CZ3 TRP A 119 0.308 -17.203 -2.318 1.00 0.00 C ATOM 1883 CH2 TRP A 119 0.388 -17.938 -3.515 1.00 0.00 C ATOM 0 H TRP A 119 -4.127 -11.929 -1.476 1.00 0.00 H new ATOM 0 HA TRP A 119 -1.593 -13.102 -1.572 1.00 0.00 H new ATOM 0 HB2 TRP A 119 -3.435 -14.527 -1.284 1.00 0.00 H new ATOM 0 HB3 TRP A 119 -4.348 -13.789 -2.585 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -4.299 -14.962 -4.837 1.00 0.00 H new ATOM 0 HE1 TRP A 119 -2.880 -16.757 -6.007 1.00 0.00 H new ATOM 0 HE3 TRP A 119 -0.775 -15.717 -1.193 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -0.522 -18.304 -5.441 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 1.049 -17.353 -1.547 1.00 0.00 H new ATOM 0 HH2 TRP A 119 1.188 -18.649 -3.661 1.00 0.00 H new ATOM 1894 N LEU A 120 -2.682 -11.992 -4.512 1.00 0.00 N ATOM 1895 CA LEU A 120 -2.246 -11.656 -5.861 1.00 0.00 C ATOM 1896 C LEU A 120 -1.090 -10.671 -5.781 1.00 0.00 C ATOM 1897 O LEU A 120 -0.066 -10.844 -6.444 1.00 0.00 O ATOM 1898 CB LEU A 120 -3.368 -10.969 -6.655 1.00 0.00 C ATOM 1899 CG LEU A 120 -4.463 -11.872 -7.234 1.00 0.00 C ATOM 1900 CD1 LEU A 120 -5.459 -10.954 -7.944 1.00 0.00 C ATOM 1901 CD2 LEU A 120 -3.891 -12.880 -8.232 1.00 0.00 C ATOM 0 H LEU A 120 -3.654 -11.753 -4.315 1.00 0.00 H new ATOM 0 HA LEU A 120 -1.957 -12.583 -6.356 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -3.843 -10.235 -6.004 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -2.913 -10.418 -7.478 1.00 0.00 H new ATOM 0 HG LEU A 120 -4.935 -12.445 -6.436 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -6.262 -11.552 -8.375 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -5.878 -10.248 -7.227 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -4.948 -10.407 -8.736 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -4.696 -13.503 -8.622 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -3.414 -12.347 -9.054 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -3.155 -13.509 -7.732 1.00 0.00 H new ATOM 1913 N ALA A 121 -1.266 -9.633 -4.960 1.00 0.00 N ATOM 1914 CA ALA A 121 -0.328 -8.537 -4.855 1.00 0.00 C ATOM 1915 C ALA A 121 1.029 -9.009 -4.322 1.00 0.00 C ATOM 1916 O ALA A 121 2.062 -8.459 -4.707 1.00 0.00 O ATOM 1917 CB ALA A 121 -0.935 -7.465 -3.948 1.00 0.00 C ATOM 0 H ALA A 121 -2.076 -9.538 -4.347 1.00 0.00 H new ATOM 0 HA ALA A 121 -0.146 -8.120 -5.846 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -0.241 -6.630 -3.857 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -1.872 -7.113 -4.378 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -1.125 -7.888 -2.962 1.00 0.00 H new