USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 592 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 50 TYR OH : rot 30:sc= 0 USER MOD Set 1.2: A 81 HIS : no HD1:sc= 0 X(o=0,f=-0.005) USER MOD Set 2.1: A 29 HIS : no HD1:sc= -9.43! C(o=-9.1!,f=-12!) USER MOD Set 2.2: A 64 GLN : amide:sc= 0.283 K(o=-9.1,f=-11!) USER MOD Single : A 31 SER OG : rot 180:sc= -0.408 USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=-0.055) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=-0.00054) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 4:sc= 0.686 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0175) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0.024) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl 168:sc=-0.00898 (180deg=-0.236) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl 136:sc= -3.63! (180deg=-5.95!) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 MET CE :methyl 134:sc= -1.96 (180deg=-4.11!) USER MOD Single : A 78 MET CE :methyl -115:sc= -2.87 (180deg=-5.17!) USER MOD Single : A 82 CYS SG : rot -2:sc= 0.46 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 CYS SG : rot 30:sc= -0.402 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 355 N GLY A 25 -8.836 8.685 -8.952 1.00 0.00 N ATOM 356 CA GLY A 25 -7.444 8.425 -8.632 1.00 0.00 C ATOM 357 C GLY A 25 -7.248 7.093 -7.936 1.00 0.00 C ATOM 358 O GLY A 25 -7.861 6.829 -6.902 1.00 0.00 O ATOM 0 HA2 GLY A 25 -6.854 8.443 -9.549 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.066 9.224 -7.994 1.00 0.00 H new ATOM 362 N ARG A 26 -6.393 6.250 -8.506 1.00 0.00 N ATOM 363 CA ARG A 26 -6.119 4.936 -7.934 1.00 0.00 C ATOM 364 C ARG A 26 -4.743 4.904 -7.276 1.00 0.00 C ATOM 365 O ARG A 26 -3.720 4.830 -7.956 1.00 0.00 O ATOM 366 CB ARG A 26 -6.204 3.858 -9.017 1.00 0.00 C ATOM 367 CG ARG A 26 -7.624 3.560 -9.469 1.00 0.00 C ATOM 368 CD ARG A 26 -7.849 3.979 -10.914 1.00 0.00 C ATOM 369 NE ARG A 26 -7.330 5.318 -11.182 1.00 0.00 N ATOM 370 CZ ARG A 26 -6.972 5.738 -12.390 1.00 0.00 C ATOM 371 NH1 ARG A 26 -7.075 4.929 -13.435 1.00 0.00 N ATOM 372 NH2 ARG A 26 -6.509 6.971 -12.554 1.00 0.00 N ATOM 0 H ARG A 26 -5.878 6.453 -9.363 1.00 0.00 H new ATOM 0 HA ARG A 26 -6.871 4.736 -7.171 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -5.616 4.174 -9.879 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -5.751 2.941 -8.641 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -7.824 2.494 -9.363 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -8.330 4.083 -8.823 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -7.366 3.263 -11.579 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -8.915 3.952 -11.138 1.00 0.00 H new ATOM 0 HE ARG A 26 -7.238 5.965 -10.399 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -7.430 3.981 -13.313 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -6.799 5.255 -14.361 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -6.428 7.596 -11.752 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -6.234 7.293 -13.482 1.00 0.00 H new ATOM 386 N VAL A 27 -4.727 4.963 -5.948 1.00 0.00 N ATOM 387 CA VAL A 27 -3.477 4.941 -5.198 1.00 0.00 C ATOM 388 C VAL A 27 -3.571 4.001 -4.001 1.00 0.00 C ATOM 389 O VAL A 27 -4.102 4.367 -2.952 1.00 0.00 O ATOM 390 CB VAL A 27 -3.094 6.348 -4.703 1.00 0.00 C ATOM 391 CG1 VAL A 27 -1.911 6.275 -3.749 1.00 0.00 C ATOM 392 CG2 VAL A 27 -2.786 7.261 -5.880 1.00 0.00 C ATOM 0 H VAL A 27 -5.565 5.026 -5.370 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.706 4.582 -5.879 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.941 6.767 -4.160 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.655 7.279 -3.410 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.174 5.658 -2.890 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.056 5.836 -4.263 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.517 8.251 -5.512 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.955 6.849 -6.452 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.665 7.338 -6.520 1.00 0.00 H new ATOM 402 N ILE A 28 -3.052 2.789 -4.164 1.00 0.00 N ATOM 403 CA ILE A 28 -3.077 1.797 -3.097 1.00 0.00 C ATOM 404 C ILE A 28 -2.021 2.102 -2.039 1.00 0.00 C ATOM 405 O ILE A 28 -0.829 1.877 -2.253 1.00 0.00 O ATOM 406 CB ILE A 28 -2.846 0.376 -3.643 1.00 0.00 C ATOM 407 CG1 ILE A 28 -3.984 -0.025 -4.582 1.00 0.00 C ATOM 408 CG2 ILE A 28 -2.721 -0.618 -2.497 1.00 0.00 C ATOM 409 CD1 ILE A 28 -5.186 -0.600 -3.864 1.00 0.00 C ATOM 0 H ILE A 28 -2.609 2.470 -5.026 1.00 0.00 H new ATOM 0 HA ILE A 28 -4.067 1.846 -2.644 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.914 0.367 -4.209 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -4.296 0.848 -5.155 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -3.613 -0.759 -5.297 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.558 -1.618 -2.899 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.878 -0.340 -1.864 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.637 -0.609 -1.906 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.954 -0.862 -4.592 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -4.888 -1.492 -3.313 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.583 0.140 -3.169 1.00 0.00 H new ATOM 421 N HIS A 29 -2.466 2.614 -0.897 1.00 0.00 N ATOM 422 CA HIS A 29 -1.560 2.948 0.197 1.00 0.00 C ATOM 423 C HIS A 29 -1.207 1.705 1.008 1.00 0.00 C ATOM 424 O HIS A 29 -2.086 1.033 1.549 1.00 0.00 O ATOM 425 CB HIS A 29 -2.191 4.003 1.106 1.00 0.00 C ATOM 426 CG HIS A 29 -1.192 4.757 1.929 1.00 0.00 C ATOM 427 ND1 HIS A 29 -1.552 5.646 2.920 1.00 0.00 N ATOM 428 CD2 HIS A 29 0.161 4.751 1.905 1.00 0.00 C ATOM 429 CE1 HIS A 29 -0.463 6.155 3.469 1.00 0.00 C ATOM 430 NE2 HIS A 29 0.589 5.628 2.871 1.00 0.00 N ATOM 0 H HIS A 29 -3.449 2.807 -0.704 1.00 0.00 H new ATOM 0 HA HIS A 29 -0.644 3.352 -0.233 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -2.753 4.709 0.494 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -2.906 3.518 1.771 1.00 0.00 H new ATOM 0 HD2 HIS A 29 0.787 4.166 1.248 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -0.438 6.879 4.270 1.00 0.00 H new ATOM 0 HE2 HIS A 29 1.563 5.838 3.091 1.00 0.00 H new ATOM 438 N LEU A 30 0.085 1.405 1.089 1.00 0.00 N ATOM 439 CA LEU A 30 0.555 0.242 1.833 1.00 0.00 C ATOM 440 C LEU A 30 1.362 0.667 3.057 1.00 0.00 C ATOM 441 O LEU A 30 2.477 1.172 2.931 1.00 0.00 O ATOM 442 CB LEU A 30 1.407 -0.656 0.934 1.00 0.00 C ATOM 443 CG LEU A 30 0.680 -1.310 -0.242 1.00 0.00 C ATOM 444 CD1 LEU A 30 1.639 -1.544 -1.398 1.00 0.00 C ATOM 445 CD2 LEU A 30 0.034 -2.618 0.192 1.00 0.00 C ATOM 0 H LEU A 30 0.825 1.951 0.649 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.318 -0.317 2.171 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.233 -0.064 0.541 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.843 -1.443 1.549 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.106 -0.635 -0.580 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.104 -2.010 -2.226 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.054 -0.591 -1.725 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.447 -2.199 -1.073 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.479 -3.070 -0.657 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.802 -3.300 0.557 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.685 -2.422 0.988 1.00 0.00 H new ATOM 457 N SER A 31 0.791 0.459 4.238 1.00 0.00 N ATOM 458 CA SER A 31 1.456 0.822 5.484 1.00 0.00 C ATOM 459 C SER A 31 1.894 -0.423 6.249 1.00 0.00 C ATOM 460 O SER A 31 1.379 -1.518 6.022 1.00 0.00 O ATOM 461 CB SER A 31 0.527 1.669 6.354 1.00 0.00 C ATOM 462 OG SER A 31 -0.697 0.999 6.596 1.00 0.00 O ATOM 0 H SER A 31 -0.131 0.041 4.359 1.00 0.00 H new ATOM 0 HA SER A 31 2.343 1.406 5.237 1.00 0.00 H new ATOM 0 HB2 SER A 31 1.016 1.893 7.302 1.00 0.00 H new ATOM 0 HB3 SER A 31 0.332 2.622 5.862 1.00 0.00 H new ATOM 0 HG SER A 31 -1.272 1.561 7.156 1.00 0.00 H new ATOM 468 N ASN A 32 2.848 -0.246 7.157 1.00 0.00 N ATOM 469 CA ASN A 32 3.358 -1.356 7.957 1.00 0.00 C ATOM 470 C ASN A 32 4.017 -2.407 7.071 1.00 0.00 C ATOM 471 O ASN A 32 3.762 -3.604 7.214 1.00 0.00 O ATOM 472 CB ASN A 32 2.224 -1.990 8.765 1.00 0.00 C ATOM 473 CG ASN A 32 2.724 -2.683 10.018 1.00 0.00 C ATOM 474 OD1 ASN A 32 3.372 -2.066 10.863 1.00 0.00 O ATOM 475 ND2 ASN A 32 2.425 -3.969 10.142 1.00 0.00 N ATOM 0 H ASN A 32 3.284 0.654 7.358 1.00 0.00 H new ATOM 0 HA ASN A 32 4.109 -0.964 8.643 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.504 -1.220 9.042 1.00 0.00 H new ATOM 0 HB3 ASN A 32 1.696 -2.711 8.141 1.00 0.00 H new ATOM 0 HD21 ASN A 32 2.735 -4.488 10.964 1.00 0.00 H new ATOM 0 HD22 ASN A 32 1.885 -4.439 9.416 1.00 0.00 H new ATOM 482 N LEU A 33 4.866 -1.954 6.156 1.00 0.00 N ATOM 483 CA LEU A 33 5.563 -2.856 5.245 1.00 0.00 C ATOM 484 C LEU A 33 6.785 -3.472 5.920 1.00 0.00 C ATOM 485 O LEU A 33 7.432 -2.858 6.768 1.00 0.00 O ATOM 486 CB LEU A 33 5.988 -2.108 3.981 1.00 0.00 C ATOM 487 CG LEU A 33 4.858 -1.673 3.046 1.00 0.00 C ATOM 488 CD1 LEU A 33 5.407 -0.851 1.891 1.00 0.00 C ATOM 489 CD2 LEU A 33 4.099 -2.886 2.527 1.00 0.00 C ATOM 0 H LEU A 33 5.089 -0.967 6.025 1.00 0.00 H new ATOM 0 HA LEU A 33 4.878 -3.658 4.971 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.548 -1.221 4.279 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.673 -2.744 3.420 1.00 0.00 H new ATOM 0 HG LEU A 33 4.165 -1.050 3.611 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.589 -0.551 1.237 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.905 0.037 2.281 1.00 0.00 H new ATOM 0 HD13 LEU A 33 6.122 -1.449 1.326 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.299 -2.558 1.863 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.782 -3.535 1.979 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.672 -3.435 3.367 1.00 0.00 H new ATOM 501 N PRO A 34 7.110 -4.715 5.533 1.00 0.00 N ATOM 502 CA PRO A 34 8.258 -5.440 6.086 1.00 0.00 C ATOM 503 C PRO A 34 9.590 -4.846 5.639 1.00 0.00 C ATOM 504 O PRO A 34 9.634 -3.759 5.061 1.00 0.00 O ATOM 505 CB PRO A 34 8.088 -6.854 5.525 1.00 0.00 C ATOM 506 CG PRO A 34 7.299 -6.673 4.274 1.00 0.00 C ATOM 507 CD PRO A 34 6.384 -5.507 4.526 1.00 0.00 C ATOM 0 HA PRO A 34 8.280 -5.398 7.175 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.053 -7.318 5.321 1.00 0.00 H new ATOM 0 HB3 PRO A 34 7.567 -7.500 6.232 1.00 0.00 H new ATOM 0 HG2 PRO A 34 7.954 -6.479 3.425 1.00 0.00 H new ATOM 0 HG3 PRO A 34 6.730 -7.572 4.038 1.00 0.00 H new ATOM 0 HD2 PRO A 34 6.204 -4.933 3.617 1.00 0.00 H new ATOM 0 HD3 PRO A 34 5.411 -5.832 4.895 1.00 0.00 H new ATOM 515 N HIS A 35 10.674 -5.567 5.907 1.00 0.00 N ATOM 516 CA HIS A 35 12.007 -5.111 5.530 1.00 0.00 C ATOM 517 C HIS A 35 13.005 -6.265 5.563 1.00 0.00 C ATOM 518 O HIS A 35 14.042 -6.184 6.222 1.00 0.00 O ATOM 519 CB HIS A 35 12.471 -3.994 6.467 1.00 0.00 C ATOM 520 CG HIS A 35 13.248 -2.918 5.776 1.00 0.00 C ATOM 521 ND1 HIS A 35 12.705 -1.697 5.435 1.00 0.00 N ATOM 522 CD2 HIS A 35 14.537 -2.882 5.362 1.00 0.00 C ATOM 523 CE1 HIS A 35 13.625 -0.958 4.841 1.00 0.00 C ATOM 524 NE2 HIS A 35 14.746 -1.653 4.785 1.00 0.00 N ATOM 0 H HIS A 35 10.655 -6.469 6.383 1.00 0.00 H new ATOM 0 HA HIS A 35 11.958 -4.725 4.512 1.00 0.00 H new ATOM 0 HB2 HIS A 35 11.600 -3.550 6.949 1.00 0.00 H new ATOM 0 HB3 HIS A 35 13.086 -4.425 7.257 1.00 0.00 H new ATOM 0 HD2 HIS A 35 15.265 -3.673 5.466 1.00 0.00 H new ATOM 0 HE1 HIS A 35 13.484 0.045 4.465 1.00 0.00 H new ATOM 0 HE2 HIS A 35 15.624 -1.330 4.379 1.00 0.00 H new ATOM 532 N SER A 36 12.684 -7.338 4.848 1.00 0.00 N ATOM 533 CA SER A 36 13.550 -8.511 4.798 1.00 0.00 C ATOM 534 C SER A 36 14.477 -8.450 3.588 1.00 0.00 C ATOM 535 O SER A 36 14.961 -9.476 3.111 1.00 0.00 O ATOM 536 CB SER A 36 12.711 -9.789 4.749 1.00 0.00 C ATOM 537 OG SER A 36 12.819 -10.517 5.960 1.00 0.00 O ATOM 0 H SER A 36 11.831 -7.420 4.295 1.00 0.00 H new ATOM 0 HA SER A 36 14.160 -8.521 5.701 1.00 0.00 H new ATOM 0 HB2 SER A 36 11.667 -9.535 4.565 1.00 0.00 H new ATOM 0 HB3 SER A 36 13.039 -10.411 3.916 1.00 0.00 H new ATOM 0 HG SER A 36 12.272 -11.328 5.904 1.00 0.00 H new ATOM 543 N GLY A 37 14.719 -7.239 3.095 1.00 0.00 N ATOM 544 CA GLY A 37 15.587 -7.066 1.944 1.00 0.00 C ATOM 545 C GLY A 37 14.930 -7.507 0.651 1.00 0.00 C ATOM 546 O GLY A 37 15.566 -8.141 -0.191 1.00 0.00 O ATOM 0 H GLY A 37 14.330 -6.375 3.472 1.00 0.00 H new ATOM 0 HA2 GLY A 37 15.873 -6.017 1.863 1.00 0.00 H new ATOM 0 HA3 GLY A 37 16.504 -7.636 2.095 1.00 0.00 H new ATOM 550 N TYR A 38 13.655 -7.171 0.494 1.00 0.00 N ATOM 551 CA TYR A 38 12.910 -7.540 -0.704 1.00 0.00 C ATOM 552 C TYR A 38 13.045 -6.467 -1.781 1.00 0.00 C ATOM 553 O TYR A 38 13.718 -5.456 -1.585 1.00 0.00 O ATOM 554 CB TYR A 38 11.435 -7.757 -0.366 1.00 0.00 C ATOM 555 CG TYR A 38 10.792 -6.578 0.330 1.00 0.00 C ATOM 556 CD1 TYR A 38 10.803 -6.474 1.715 1.00 0.00 C ATOM 557 CD2 TYR A 38 10.175 -5.568 -0.398 1.00 0.00 C ATOM 558 CE1 TYR A 38 10.218 -5.399 2.356 1.00 0.00 C ATOM 559 CE2 TYR A 38 9.589 -4.488 0.233 1.00 0.00 C ATOM 560 CZ TYR A 38 9.612 -4.408 1.610 1.00 0.00 C ATOM 561 OH TYR A 38 9.028 -3.334 2.242 1.00 0.00 O ATOM 0 H TYR A 38 13.116 -6.644 1.181 1.00 0.00 H new ATOM 0 HA TYR A 38 13.328 -8.470 -1.089 1.00 0.00 H new ATOM 0 HB2 TYR A 38 10.888 -7.968 -1.285 1.00 0.00 H new ATOM 0 HB3 TYR A 38 11.343 -8.638 0.270 1.00 0.00 H new ATOM 0 HD1 TYR A 38 11.277 -7.247 2.301 1.00 0.00 H new ATOM 0 HD2 TYR A 38 10.153 -5.628 -1.476 1.00 0.00 H new ATOM 0 HE1 TYR A 38 10.235 -5.334 3.434 1.00 0.00 H new ATOM 0 HE2 TYR A 38 9.116 -3.711 -0.348 1.00 0.00 H new ATOM 0 HH TYR A 38 9.184 -3.398 3.207 1.00 0.00 H new ATOM 571 N SER A 39 12.398 -6.696 -2.919 1.00 0.00 N ATOM 572 CA SER A 39 12.446 -5.752 -4.029 1.00 0.00 C ATOM 573 C SER A 39 11.064 -5.170 -4.309 1.00 0.00 C ATOM 574 O SER A 39 10.045 -5.774 -3.972 1.00 0.00 O ATOM 575 CB SER A 39 12.986 -6.437 -5.285 1.00 0.00 C ATOM 576 OG SER A 39 13.972 -5.639 -5.918 1.00 0.00 O ATOM 0 H SER A 39 11.834 -7.527 -3.097 1.00 0.00 H new ATOM 0 HA SER A 39 13.115 -4.937 -3.751 1.00 0.00 H new ATOM 0 HB2 SER A 39 13.412 -7.405 -5.020 1.00 0.00 H new ATOM 0 HB3 SER A 39 12.168 -6.628 -5.979 1.00 0.00 H new ATOM 0 HG SER A 39 14.302 -6.100 -6.717 1.00 0.00 H new ATOM 582 N ASP A 40 11.038 -3.993 -4.925 1.00 0.00 N ATOM 583 CA ASP A 40 9.781 -3.329 -5.250 1.00 0.00 C ATOM 584 C ASP A 40 8.765 -4.326 -5.796 1.00 0.00 C ATOM 585 O ASP A 40 7.620 -4.370 -5.348 1.00 0.00 O ATOM 586 CB ASP A 40 10.019 -2.214 -6.270 1.00 0.00 C ATOM 587 CG ASP A 40 10.364 -2.751 -7.646 1.00 0.00 C ATOM 588 OD1 ASP A 40 11.510 -3.211 -7.831 1.00 0.00 O ATOM 589 OD2 ASP A 40 9.489 -2.711 -8.535 1.00 0.00 O ATOM 0 H ASP A 40 11.872 -3.480 -5.209 1.00 0.00 H new ATOM 0 HA ASP A 40 9.380 -2.895 -4.334 1.00 0.00 H new ATOM 0 HB2 ASP A 40 9.126 -1.592 -6.339 1.00 0.00 H new ATOM 0 HB3 ASP A 40 10.828 -1.572 -5.920 1.00 0.00 H new ATOM 594 N SER A 41 9.191 -5.126 -6.769 1.00 0.00 N ATOM 595 CA SER A 41 8.316 -6.120 -7.380 1.00 0.00 C ATOM 596 C SER A 41 7.526 -6.875 -6.316 1.00 0.00 C ATOM 597 O SER A 41 6.318 -7.074 -6.449 1.00 0.00 O ATOM 598 CB SER A 41 9.134 -7.104 -8.219 1.00 0.00 C ATOM 599 OG SER A 41 8.768 -7.037 -9.585 1.00 0.00 O ATOM 0 H SER A 41 10.137 -5.105 -7.151 1.00 0.00 H new ATOM 0 HA SER A 41 7.612 -5.599 -8.029 1.00 0.00 H new ATOM 0 HB2 SER A 41 10.196 -6.882 -8.113 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.981 -8.117 -7.848 1.00 0.00 H new ATOM 0 HG SER A 41 9.306 -7.674 -10.100 1.00 0.00 H new ATOM 605 N ALA A 42 8.216 -7.293 -5.261 1.00 0.00 N ATOM 606 CA ALA A 42 7.580 -8.025 -4.172 1.00 0.00 C ATOM 607 C ALA A 42 6.380 -7.259 -3.624 1.00 0.00 C ATOM 608 O ALA A 42 5.383 -7.857 -3.217 1.00 0.00 O ATOM 609 CB ALA A 42 8.585 -8.301 -3.064 1.00 0.00 C ATOM 0 H ALA A 42 9.216 -7.137 -5.137 1.00 0.00 H new ATOM 0 HA ALA A 42 7.221 -8.976 -4.566 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.096 -8.848 -2.258 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.408 -8.896 -3.459 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.971 -7.357 -2.680 1.00 0.00 H new ATOM 615 N VAL A 43 6.483 -5.934 -3.615 1.00 0.00 N ATOM 616 CA VAL A 43 5.407 -5.086 -3.116 1.00 0.00 C ATOM 617 C VAL A 43 4.300 -4.937 -4.154 1.00 0.00 C ATOM 618 O VAL A 43 3.149 -4.662 -3.814 1.00 0.00 O ATOM 619 CB VAL A 43 5.926 -3.688 -2.730 1.00 0.00 C ATOM 620 CG1 VAL A 43 4.771 -2.708 -2.596 1.00 0.00 C ATOM 621 CG2 VAL A 43 6.731 -3.757 -1.441 1.00 0.00 C ATOM 0 H VAL A 43 7.301 -5.424 -3.948 1.00 0.00 H new ATOM 0 HA VAL A 43 5.006 -5.573 -2.227 1.00 0.00 H new ATOM 0 HB VAL A 43 6.583 -3.331 -3.523 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.157 -1.726 -2.323 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.241 -2.638 -3.546 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.086 -3.056 -1.823 1.00 0.00 H new ATOM 0 HG21 VAL A 43 7.090 -2.761 -1.183 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.099 -4.135 -0.637 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.581 -4.425 -1.578 1.00 0.00 H new ATOM 631 N LEU A 44 4.656 -5.120 -5.421 1.00 0.00 N ATOM 632 CA LEU A 44 3.692 -5.005 -6.510 1.00 0.00 C ATOM 633 C LEU A 44 3.044 -6.354 -6.807 1.00 0.00 C ATOM 634 O LEU A 44 2.062 -6.434 -7.544 1.00 0.00 O ATOM 635 CB LEU A 44 4.376 -4.468 -7.769 1.00 0.00 C ATOM 636 CG LEU A 44 5.405 -3.357 -7.550 1.00 0.00 C ATOM 637 CD1 LEU A 44 6.205 -3.114 -8.821 1.00 0.00 C ATOM 638 CD2 LEU A 44 4.719 -2.077 -7.097 1.00 0.00 C ATOM 0 H LEU A 44 5.604 -5.348 -5.719 1.00 0.00 H new ATOM 0 HA LEU A 44 2.913 -4.307 -6.201 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.869 -5.299 -8.273 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.607 -4.096 -8.446 1.00 0.00 H new ATOM 0 HG LEU A 44 6.093 -3.674 -6.766 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.932 -2.321 -8.647 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.726 -4.029 -9.103 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.530 -2.818 -9.625 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.466 -1.298 -6.946 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.008 -1.756 -7.859 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.190 -2.259 -6.161 1.00 0.00 H new ATOM 650 N LYS A 45 3.599 -7.412 -6.226 1.00 0.00 N ATOM 651 CA LYS A 45 3.074 -8.758 -6.425 1.00 0.00 C ATOM 652 C LYS A 45 1.654 -8.873 -5.878 1.00 0.00 C ATOM 653 O LYS A 45 0.836 -9.628 -6.405 1.00 0.00 O ATOM 654 CB LYS A 45 3.979 -9.786 -5.742 1.00 0.00 C ATOM 655 CG LYS A 45 4.661 -10.735 -6.714 1.00 0.00 C ATOM 656 CD LYS A 45 4.777 -12.135 -6.136 1.00 0.00 C ATOM 657 CE LYS A 45 4.525 -13.198 -7.196 1.00 0.00 C ATOM 658 NZ LYS A 45 3.764 -14.355 -6.650 1.00 0.00 N ATOM 0 H LYS A 45 4.413 -7.364 -5.613 1.00 0.00 H new ATOM 0 HA LYS A 45 3.050 -8.958 -7.496 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.740 -9.261 -5.165 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.387 -10.367 -5.035 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.097 -10.771 -7.646 1.00 0.00 H new ATOM 0 HG3 LYS A 45 5.654 -10.357 -6.957 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.771 -12.273 -5.710 1.00 0.00 H new ATOM 0 HD3 LYS A 45 4.062 -12.254 -5.322 1.00 0.00 H new ATOM 0 HE2 LYS A 45 3.972 -12.759 -8.027 1.00 0.00 H new ATOM 0 HE3 LYS A 45 5.478 -13.546 -7.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 3.613 -15.057 -7.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 4.303 -14.790 -5.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.844 -14.028 -6.292 1.00 0.00 H new ATOM 672 N LEU A 46 1.368 -8.121 -4.821 1.00 0.00 N ATOM 673 CA LEU A 46 0.046 -8.138 -4.205 1.00 0.00 C ATOM 674 C LEU A 46 -0.943 -7.308 -5.015 1.00 0.00 C ATOM 675 O LEU A 46 -2.145 -7.325 -4.752 1.00 0.00 O ATOM 676 CB LEU A 46 0.123 -7.608 -2.772 1.00 0.00 C ATOM 677 CG LEU A 46 1.267 -6.637 -2.476 1.00 0.00 C ATOM 678 CD1 LEU A 46 0.915 -5.739 -1.301 1.00 0.00 C ATOM 679 CD2 LEU A 46 2.555 -7.399 -2.200 1.00 0.00 C ATOM 0 H LEU A 46 2.034 -7.492 -4.373 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.306 -9.169 -4.186 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.819 -7.111 -2.539 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.211 -8.458 -2.096 1.00 0.00 H new ATOM 0 HG LEU A 46 1.421 -6.009 -3.353 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.741 -5.055 -1.105 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.018 -5.166 -1.537 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.733 -6.351 -0.417 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.358 -6.692 -1.991 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.414 -8.052 -1.339 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.817 -7.999 -3.072 1.00 0.00 H new ATOM 691 N ALA A 47 -0.430 -6.581 -6.003 1.00 0.00 N ATOM 692 CA ALA A 47 -1.268 -5.747 -6.854 1.00 0.00 C ATOM 693 C ALA A 47 -1.110 -6.127 -8.322 1.00 0.00 C ATOM 694 O ALA A 47 -1.832 -5.625 -9.183 1.00 0.00 O ATOM 695 CB ALA A 47 -0.932 -4.277 -6.649 1.00 0.00 C ATOM 0 H ALA A 47 0.563 -6.554 -6.233 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.308 -5.914 -6.572 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.566 -3.666 -7.291 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.103 -4.007 -5.607 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.114 -4.104 -6.902 1.00 0.00 H new ATOM 701 N GLU A 48 -0.163 -7.018 -8.600 1.00 0.00 N ATOM 702 CA GLU A 48 0.090 -7.462 -9.965 1.00 0.00 C ATOM 703 C GLU A 48 -1.147 -8.133 -10.556 1.00 0.00 C ATOM 704 O GLU A 48 -1.707 -7.687 -11.557 1.00 0.00 O ATOM 705 CB GLU A 48 1.274 -8.432 -9.998 1.00 0.00 C ATOM 706 CG GLU A 48 2.528 -7.839 -10.619 1.00 0.00 C ATOM 707 CD GLU A 48 2.938 -8.548 -11.895 1.00 0.00 C ATOM 708 OE1 GLU A 48 2.653 -9.758 -12.020 1.00 0.00 O ATOM 709 OE2 GLU A 48 3.544 -7.893 -12.768 1.00 0.00 O ATOM 0 H GLU A 48 0.441 -7.446 -7.898 1.00 0.00 H new ATOM 0 HA GLU A 48 0.330 -6.586 -10.567 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.499 -8.753 -8.981 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.988 -9.323 -10.557 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.359 -6.784 -10.832 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.345 -7.892 -9.900 1.00 0.00 H new ATOM 716 N PRO A 49 -1.583 -9.232 -9.922 1.00 0.00 N ATOM 717 CA PRO A 49 -2.758 -9.989 -10.367 1.00 0.00 C ATOM 718 C PRO A 49 -4.058 -9.224 -10.143 1.00 0.00 C ATOM 719 O PRO A 49 -5.142 -9.718 -10.454 1.00 0.00 O ATOM 720 CB PRO A 49 -2.721 -11.246 -9.495 1.00 0.00 C ATOM 721 CG PRO A 49 -1.976 -10.836 -8.271 1.00 0.00 C ATOM 722 CD PRO A 49 -0.964 -9.820 -8.723 1.00 0.00 C ATOM 0 HA PRO A 49 -2.729 -10.195 -11.437 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -3.727 -11.588 -9.250 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.220 -12.068 -10.006 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -2.650 -10.411 -7.528 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.488 -11.693 -7.806 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -0.780 -9.068 -7.956 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -0.004 -10.283 -8.952 1.00 0.00 H new ATOM 730 N TYR A 50 -3.943 -8.015 -9.604 1.00 0.00 N ATOM 731 CA TYR A 50 -5.110 -7.182 -9.338 1.00 0.00 C ATOM 732 C TYR A 50 -5.356 -6.207 -10.484 1.00 0.00 C ATOM 733 O TYR A 50 -6.500 -5.916 -10.832 1.00 0.00 O ATOM 734 CB TYR A 50 -4.926 -6.413 -8.029 1.00 0.00 C ATOM 735 CG TYR A 50 -5.133 -7.261 -6.794 1.00 0.00 C ATOM 736 CD1 TYR A 50 -4.091 -8.004 -6.254 1.00 0.00 C ATOM 737 CD2 TYR A 50 -6.372 -7.318 -6.167 1.00 0.00 C ATOM 738 CE1 TYR A 50 -4.276 -8.780 -5.126 1.00 0.00 C ATOM 739 CE2 TYR A 50 -6.567 -8.090 -5.038 1.00 0.00 C ATOM 740 CZ TYR A 50 -5.516 -8.820 -4.522 1.00 0.00 C ATOM 741 OH TYR A 50 -5.704 -9.591 -3.398 1.00 0.00 O ATOM 0 H TYR A 50 -3.053 -7.590 -9.343 1.00 0.00 H new ATOM 0 HA TYR A 50 -5.978 -7.835 -9.249 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -3.922 -5.989 -8.004 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -5.625 -5.577 -8.007 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -3.119 -7.975 -6.724 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -7.197 -6.749 -6.569 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -3.455 -9.352 -4.719 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -7.536 -8.122 -4.562 1.00 0.00 H new ATOM 0 HH TYR A 50 -4.865 -9.646 -2.895 1.00 0.00 H new ATOM 751 N GLY A 51 -4.272 -5.703 -11.067 1.00 0.00 N ATOM 752 CA GLY A 51 -4.390 -4.765 -12.168 1.00 0.00 C ATOM 753 C GLY A 51 -3.042 -4.321 -12.698 1.00 0.00 C ATOM 754 O GLY A 51 -2.008 -4.580 -12.082 1.00 0.00 O ATOM 0 H GLY A 51 -3.315 -5.928 -10.796 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.960 -5.226 -12.975 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.953 -3.892 -11.839 1.00 0.00 H new ATOM 758 N LYS A 52 -3.050 -3.650 -13.845 1.00 0.00 N ATOM 759 CA LYS A 52 -1.819 -3.168 -14.459 1.00 0.00 C ATOM 760 C LYS A 52 -1.196 -2.051 -13.628 1.00 0.00 C ATOM 761 O LYS A 52 -1.791 -0.987 -13.457 1.00 0.00 O ATOM 762 CB LYS A 52 -2.095 -2.667 -15.879 1.00 0.00 C ATOM 763 CG LYS A 52 -1.594 -3.606 -16.963 1.00 0.00 C ATOM 764 CD LYS A 52 -0.286 -3.117 -17.563 1.00 0.00 C ATOM 765 CE LYS A 52 -0.162 -3.513 -19.026 1.00 0.00 C ATOM 766 NZ LYS A 52 0.883 -4.554 -19.233 1.00 0.00 N ATOM 0 H LYS A 52 -3.897 -3.428 -14.368 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.116 -4.000 -14.503 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.168 -2.523 -16.002 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.625 -1.692 -16.009 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.454 -4.603 -16.546 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.346 -3.692 -17.748 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.226 -2.032 -17.472 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.551 -3.531 -17.001 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.122 -3.886 -19.384 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.080 -2.632 -19.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.936 -4.796 -20.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 1.804 -4.190 -18.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 0.640 -5.404 -18.685 1.00 0.00 H new ATOM 780 N ILE A 53 0.004 -2.301 -13.113 1.00 0.00 N ATOM 781 CA ILE A 53 0.706 -1.315 -12.302 1.00 0.00 C ATOM 782 C ILE A 53 1.194 -0.149 -13.154 1.00 0.00 C ATOM 783 O ILE A 53 2.284 -0.197 -13.726 1.00 0.00 O ATOM 784 CB ILE A 53 1.908 -1.942 -11.571 1.00 0.00 C ATOM 785 CG1 ILE A 53 1.437 -3.036 -10.612 1.00 0.00 C ATOM 786 CG2 ILE A 53 2.689 -0.873 -10.821 1.00 0.00 C ATOM 787 CD1 ILE A 53 2.280 -4.291 -10.665 1.00 0.00 C ATOM 0 H ILE A 53 0.509 -3.177 -13.243 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.007 -0.948 -11.564 1.00 0.00 H new ATOM 0 HB ILE A 53 2.568 -2.394 -12.311 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.446 -2.645 -9.595 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.404 -3.292 -10.846 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.535 -1.332 -10.310 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.053 -0.126 -11.527 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.039 -0.394 -10.089 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.888 -5.023 -9.959 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.251 -4.707 -11.672 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.310 -4.049 -10.402 1.00 0.00 H new ATOM 799 N LYS A 54 0.382 0.900 -13.234 1.00 0.00 N ATOM 800 CA LYS A 54 0.732 2.082 -14.013 1.00 0.00 C ATOM 801 C LYS A 54 1.825 2.887 -13.319 1.00 0.00 C ATOM 802 O LYS A 54 2.524 3.677 -13.952 1.00 0.00 O ATOM 803 CB LYS A 54 -0.503 2.958 -14.228 1.00 0.00 C ATOM 804 CG LYS A 54 -0.990 2.979 -15.668 1.00 0.00 C ATOM 805 CD LYS A 54 -1.689 1.681 -16.038 1.00 0.00 C ATOM 806 CE LYS A 54 -1.011 1.000 -17.218 1.00 0.00 C ATOM 807 NZ LYS A 54 -1.148 1.793 -18.470 1.00 0.00 N ATOM 0 H LYS A 54 -0.524 0.956 -12.768 1.00 0.00 H new ATOM 0 HA LYS A 54 1.109 1.751 -14.981 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.308 2.601 -13.586 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.275 3.977 -13.915 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.674 3.815 -15.810 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.145 3.142 -16.337 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.689 1.009 -15.180 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.731 1.885 -16.284 1.00 0.00 H new ATOM 0 HE2 LYS A 54 0.046 0.854 -16.995 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -1.445 0.011 -17.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -0.842 1.218 -19.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -2.142 2.070 -18.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -0.556 2.646 -18.407 1.00 0.00 H new ATOM 821 N ASN A 55 1.967 2.682 -12.013 1.00 0.00 N ATOM 822 CA ASN A 55 2.976 3.389 -11.233 1.00 0.00 C ATOM 823 C ASN A 55 3.058 2.831 -9.815 1.00 0.00 C ATOM 824 O ASN A 55 2.072 2.327 -9.278 1.00 0.00 O ATOM 825 CB ASN A 55 2.659 4.886 -11.187 1.00 0.00 C ATOM 826 CG ASN A 55 3.844 5.740 -11.594 1.00 0.00 C ATOM 827 OD1 ASN A 55 3.998 6.089 -12.765 1.00 0.00 O ATOM 828 ND2 ASN A 55 4.688 6.081 -10.628 1.00 0.00 N ATOM 0 H ASN A 55 1.396 2.032 -11.473 1.00 0.00 H new ATOM 0 HA ASN A 55 3.941 3.244 -11.718 1.00 0.00 H new ATOM 0 HB2 ASN A 55 1.818 5.097 -11.848 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.348 5.158 -10.178 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.504 6.655 -10.842 1.00 0.00 H new ATOM 0 HD22 ASN A 55 4.521 5.769 -9.671 1.00 0.00 H new ATOM 835 N TYR A 56 4.239 2.926 -9.216 1.00 0.00 N ATOM 836 CA TYR A 56 4.451 2.430 -7.860 1.00 0.00 C ATOM 837 C TYR A 56 5.485 3.277 -7.125 1.00 0.00 C ATOM 838 O TYR A 56 6.374 3.863 -7.742 1.00 0.00 O ATOM 839 CB TYR A 56 4.903 0.969 -7.895 1.00 0.00 C ATOM 840 CG TYR A 56 6.382 0.799 -8.157 1.00 0.00 C ATOM 841 CD1 TYR A 56 6.881 0.785 -9.454 1.00 0.00 C ATOM 842 CD2 TYR A 56 7.281 0.652 -7.108 1.00 0.00 C ATOM 843 CE1 TYR A 56 8.232 0.629 -9.697 1.00 0.00 C ATOM 844 CE2 TYR A 56 8.634 0.497 -7.341 1.00 0.00 C ATOM 845 CZ TYR A 56 9.104 0.486 -8.638 1.00 0.00 C ATOM 846 OH TYR A 56 10.451 0.331 -8.875 1.00 0.00 O ATOM 0 H TYR A 56 5.065 3.342 -9.647 1.00 0.00 H new ATOM 0 HA TYR A 56 3.505 2.498 -7.323 1.00 0.00 H new ATOM 0 HB2 TYR A 56 4.655 0.498 -6.944 1.00 0.00 H new ATOM 0 HB3 TYR A 56 4.343 0.443 -8.668 1.00 0.00 H new ATOM 0 HD1 TYR A 56 6.201 0.898 -10.286 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.916 0.659 -6.092 1.00 0.00 H new ATOM 0 HE1 TYR A 56 8.603 0.619 -10.711 1.00 0.00 H new ATOM 0 HE2 TYR A 56 9.319 0.385 -6.513 1.00 0.00 H new ATOM 0 HH TYR A 56 10.925 0.244 -8.022 1.00 0.00 H new ATOM 856 N ILE A 57 5.360 3.335 -5.804 1.00 0.00 N ATOM 857 CA ILE A 57 6.284 4.108 -4.984 1.00 0.00 C ATOM 858 C ILE A 57 6.720 3.319 -3.753 1.00 0.00 C ATOM 859 O ILE A 57 5.897 2.960 -2.909 1.00 0.00 O ATOM 860 CB ILE A 57 5.657 5.439 -4.530 1.00 0.00 C ATOM 861 CG1 ILE A 57 5.631 6.437 -5.689 1.00 0.00 C ATOM 862 CG2 ILE A 57 6.424 6.011 -3.347 1.00 0.00 C ATOM 863 CD1 ILE A 57 6.963 7.109 -5.938 1.00 0.00 C ATOM 0 H ILE A 57 4.628 2.856 -5.279 1.00 0.00 H new ATOM 0 HA ILE A 57 7.155 4.319 -5.605 1.00 0.00 H new ATOM 0 HB ILE A 57 4.631 5.251 -4.214 1.00 0.00 H new ATOM 0 HG12 ILE A 57 5.319 5.920 -6.596 1.00 0.00 H new ATOM 0 HG13 ILE A 57 4.881 7.201 -5.483 1.00 0.00 H new ATOM 0 HG21 ILE A 57 5.968 6.952 -3.038 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.394 5.304 -2.518 1.00 0.00 H new ATOM 0 HG23 ILE A 57 7.460 6.188 -3.636 1.00 0.00 H new ATOM 0 HD11 ILE A 57 6.870 7.803 -6.773 1.00 0.00 H new ATOM 0 HD12 ILE A 57 7.268 7.655 -5.045 1.00 0.00 H new ATOM 0 HD13 ILE A 57 7.713 6.354 -6.175 1.00 0.00 H new ATOM 875 N LEU A 58 8.017 3.052 -3.656 1.00 0.00 N ATOM 876 CA LEU A 58 8.564 2.307 -2.527 1.00 0.00 C ATOM 877 C LEU A 58 9.298 3.235 -1.566 1.00 0.00 C ATOM 878 O LEU A 58 10.479 3.526 -1.750 1.00 0.00 O ATOM 879 CB LEU A 58 9.511 1.213 -3.023 1.00 0.00 C ATOM 880 CG LEU A 58 9.129 -0.222 -2.659 1.00 0.00 C ATOM 881 CD1 LEU A 58 9.003 -0.373 -1.151 1.00 0.00 C ATOM 882 CD2 LEU A 58 7.832 -0.620 -3.347 1.00 0.00 C ATOM 0 H LEU A 58 8.711 3.340 -4.346 1.00 0.00 H new ATOM 0 HA LEU A 58 7.734 1.845 -1.992 1.00 0.00 H new ATOM 0 HB2 LEU A 58 9.580 1.285 -4.108 1.00 0.00 H new ATOM 0 HB3 LEU A 58 10.506 1.414 -2.626 1.00 0.00 H new ATOM 0 HG LEU A 58 9.919 -0.888 -3.006 1.00 0.00 H new ATOM 0 HD11 LEU A 58 8.731 -1.400 -0.910 1.00 0.00 H new ATOM 0 HD12 LEU A 58 9.956 -0.130 -0.680 1.00 0.00 H new ATOM 0 HD13 LEU A 58 8.232 0.303 -0.781 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.576 -1.644 -3.076 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.032 0.050 -3.031 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.957 -0.551 -4.428 1.00 0.00 H new ATOM 894 N MET A 59 8.591 3.696 -0.539 1.00 0.00 N ATOM 895 CA MET A 59 9.178 4.589 0.453 1.00 0.00 C ATOM 896 C MET A 59 9.712 3.801 1.646 1.00 0.00 C ATOM 897 O MET A 59 8.958 3.115 2.336 1.00 0.00 O ATOM 898 CB MET A 59 8.143 5.612 0.926 1.00 0.00 C ATOM 899 CG MET A 59 7.849 6.697 -0.098 1.00 0.00 C ATOM 900 SD MET A 59 7.058 8.144 0.632 1.00 0.00 S ATOM 901 CE MET A 59 5.784 8.482 -0.582 1.00 0.00 C ATOM 0 H MET A 59 7.611 3.466 -0.372 1.00 0.00 H new ATOM 0 HA MET A 59 10.010 5.114 -0.016 1.00 0.00 H new ATOM 0 HB2 MET A 59 7.216 5.093 1.170 1.00 0.00 H new ATOM 0 HB3 MET A 59 8.498 6.078 1.845 1.00 0.00 H new ATOM 0 HG2 MET A 59 8.779 7.000 -0.578 1.00 0.00 H new ATOM 0 HG3 MET A 59 7.205 6.290 -0.878 1.00 0.00 H new ATOM 0 HE1 MET A 59 5.079 9.208 -0.177 1.00 0.00 H new ATOM 0 HE2 MET A 59 6.241 8.885 -1.486 1.00 0.00 H new ATOM 0 HE3 MET A 59 5.256 7.559 -0.822 1.00 0.00 H new ATOM 911 N ARG A 60 11.016 3.904 1.880 1.00 0.00 N ATOM 912 CA ARG A 60 11.651 3.199 2.988 1.00 0.00 C ATOM 913 C ARG A 60 11.636 4.051 4.254 1.00 0.00 C ATOM 914 O ARG A 60 11.722 3.531 5.365 1.00 0.00 O ATOM 915 CB ARG A 60 13.090 2.828 2.626 1.00 0.00 C ATOM 916 CG ARG A 60 14.063 3.992 2.725 1.00 0.00 C ATOM 917 CD ARG A 60 15.081 3.965 1.596 1.00 0.00 C ATOM 918 NE ARG A 60 16.449 3.861 2.095 1.00 0.00 N ATOM 919 CZ ARG A 60 17.499 3.622 1.318 1.00 0.00 C ATOM 920 NH1 ARG A 60 17.338 3.462 0.011 1.00 0.00 N ATOM 921 NH2 ARG A 60 18.714 3.542 1.847 1.00 0.00 N ATOM 0 H ARG A 60 11.653 4.468 1.318 1.00 0.00 H new ATOM 0 HA ARG A 60 11.085 2.287 3.178 1.00 0.00 H new ATOM 0 HB2 ARG A 60 13.426 2.027 3.285 1.00 0.00 H new ATOM 0 HB3 ARG A 60 13.110 2.434 1.610 1.00 0.00 H new ATOM 0 HG2 ARG A 60 13.512 4.932 2.697 1.00 0.00 H new ATOM 0 HG3 ARG A 60 14.580 3.955 3.684 1.00 0.00 H new ATOM 0 HD2 ARG A 60 14.870 3.122 0.938 1.00 0.00 H new ATOM 0 HD3 ARG A 60 14.982 4.870 0.997 1.00 0.00 H new ATOM 0 HE ARG A 60 16.607 3.978 3.096 1.00 0.00 H new ATOM 0 HH11 ARG A 60 16.406 3.522 -0.399 1.00 0.00 H new ATOM 0 HH12 ARG A 60 18.146 3.279 -0.584 1.00 0.00 H new ATOM 0 HH21 ARG A 60 18.842 3.664 2.852 1.00 0.00 H new ATOM 0 HH22 ARG A 60 19.520 3.358 1.249 1.00 0.00 H new ATOM 935 N MET A 61 11.528 5.364 4.076 1.00 0.00 N ATOM 936 CA MET A 61 11.502 6.288 5.204 1.00 0.00 C ATOM 937 C MET A 61 10.738 5.689 6.381 1.00 0.00 C ATOM 938 O MET A 61 11.338 5.199 7.339 1.00 0.00 O ATOM 939 CB MET A 61 10.863 7.614 4.789 1.00 0.00 C ATOM 940 CG MET A 61 11.868 8.649 4.308 1.00 0.00 C ATOM 941 SD MET A 61 12.868 9.321 5.649 1.00 0.00 S ATOM 942 CE MET A 61 12.086 10.916 5.887 1.00 0.00 C ATOM 0 H MET A 61 11.457 5.812 3.162 1.00 0.00 H new ATOM 0 HA MET A 61 12.530 6.470 5.516 1.00 0.00 H new ATOM 0 HB2 MET A 61 10.139 7.427 3.996 1.00 0.00 H new ATOM 0 HB3 MET A 61 10.310 8.022 5.635 1.00 0.00 H new ATOM 0 HG2 MET A 61 12.523 8.196 3.564 1.00 0.00 H new ATOM 0 HG3 MET A 61 11.337 9.462 3.813 1.00 0.00 H new ATOM 0 HE1 MET A 61 12.594 11.454 6.687 1.00 0.00 H new ATOM 0 HE2 MET A 61 12.149 11.493 4.965 1.00 0.00 H new ATOM 0 HE3 MET A 61 11.039 10.772 6.154 1.00 0.00 H new ATOM 952 N LYS A 62 9.413 5.728 6.302 1.00 0.00 N ATOM 953 CA LYS A 62 8.566 5.188 7.358 1.00 0.00 C ATOM 954 C LYS A 62 7.868 3.913 6.898 1.00 0.00 C ATOM 955 O LYS A 62 6.680 3.717 7.157 1.00 0.00 O ATOM 956 CB LYS A 62 7.526 6.226 7.788 1.00 0.00 C ATOM 957 CG LYS A 62 8.107 7.369 8.601 1.00 0.00 C ATOM 958 CD LYS A 62 7.049 8.401 8.950 1.00 0.00 C ATOM 959 CE LYS A 62 7.248 8.952 10.353 1.00 0.00 C ATOM 960 NZ LYS A 62 8.063 10.198 10.349 1.00 0.00 N ATOM 0 H LYS A 62 8.901 6.129 5.516 1.00 0.00 H new ATOM 0 HA LYS A 62 9.201 4.945 8.210 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.042 6.632 6.900 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.752 5.731 8.374 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.550 6.977 9.517 1.00 0.00 H new ATOM 0 HG3 LYS A 62 8.909 7.846 8.038 1.00 0.00 H new ATOM 0 HD2 LYS A 62 7.084 9.218 8.229 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.060 7.950 8.872 1.00 0.00 H new ATOM 0 HE2 LYS A 62 6.277 9.155 10.805 1.00 0.00 H new ATOM 0 HE3 LYS A 62 7.737 8.200 10.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 8.176 10.542 11.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.999 9.999 9.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 7.584 10.924 9.779 1.00 0.00 H new ATOM 974 N SER A 63 8.612 3.048 6.216 1.00 0.00 N ATOM 975 CA SER A 63 8.063 1.793 5.718 1.00 0.00 C ATOM 976 C SER A 63 6.689 2.012 5.092 1.00 0.00 C ATOM 977 O SER A 63 5.667 1.628 5.662 1.00 0.00 O ATOM 978 CB SER A 63 7.963 0.770 6.851 1.00 0.00 C ATOM 979 OG SER A 63 9.233 0.524 7.429 1.00 0.00 O ATOM 0 H SER A 63 9.597 3.194 5.996 1.00 0.00 H new ATOM 0 HA SER A 63 8.736 1.410 4.951 1.00 0.00 H new ATOM 0 HB2 SER A 63 7.277 1.135 7.615 1.00 0.00 H new ATOM 0 HB3 SER A 63 7.547 -0.162 6.468 1.00 0.00 H new ATOM 0 HG SER A 63 9.142 -0.132 8.152 1.00 0.00 H new ATOM 985 N GLN A 64 6.672 2.632 3.916 1.00 0.00 N ATOM 986 CA GLN A 64 5.424 2.903 3.213 1.00 0.00 C ATOM 987 C GLN A 64 5.613 2.787 1.704 1.00 0.00 C ATOM 988 O GLN A 64 6.740 2.774 1.209 1.00 0.00 O ATOM 989 CB GLN A 64 4.906 4.297 3.569 1.00 0.00 C ATOM 990 CG GLN A 64 4.378 4.405 4.991 1.00 0.00 C ATOM 991 CD GLN A 64 3.548 5.655 5.211 1.00 0.00 C ATOM 992 OE1 GLN A 64 3.211 6.366 4.263 1.00 0.00 O ATOM 993 NE2 GLN A 64 3.215 5.930 6.467 1.00 0.00 N ATOM 0 H GLN A 64 7.508 2.956 3.430 1.00 0.00 H new ATOM 0 HA GLN A 64 4.691 2.160 3.527 1.00 0.00 H new ATOM 0 HB2 GLN A 64 5.710 5.020 3.433 1.00 0.00 H new ATOM 0 HB3 GLN A 64 4.112 4.569 2.874 1.00 0.00 H new ATOM 0 HG2 GLN A 64 3.773 3.527 5.218 1.00 0.00 H new ATOM 0 HG3 GLN A 64 5.217 4.403 5.687 1.00 0.00 H new ATOM 0 HE21 GLN A 64 3.516 5.313 7.221 1.00 0.00 H new ATOM 0 HE22 GLN A 64 2.658 6.758 6.677 1.00 0.00 H new ATOM 1002 N ALA A 65 4.503 2.703 0.978 1.00 0.00 N ATOM 1003 CA ALA A 65 4.547 2.591 -0.474 1.00 0.00 C ATOM 1004 C ALA A 65 3.174 2.847 -1.086 1.00 0.00 C ATOM 1005 O ALA A 65 2.146 2.545 -0.480 1.00 0.00 O ATOM 1006 CB ALA A 65 5.061 1.218 -0.882 1.00 0.00 C ATOM 0 H ALA A 65 3.562 2.710 1.372 1.00 0.00 H new ATOM 0 HA ALA A 65 5.232 3.350 -0.852 1.00 0.00 H new ATOM 0 HB1 ALA A 65 5.089 1.148 -1.969 1.00 0.00 H new ATOM 0 HB2 ALA A 65 6.065 1.072 -0.483 1.00 0.00 H new ATOM 0 HB3 ALA A 65 4.398 0.449 -0.486 1.00 0.00 H new ATOM 1012 N PHE A 66 3.164 3.407 -2.291 1.00 0.00 N ATOM 1013 CA PHE A 66 1.916 3.706 -2.985 1.00 0.00 C ATOM 1014 C PHE A 66 1.913 3.099 -4.385 1.00 0.00 C ATOM 1015 O PHE A 66 2.731 3.461 -5.232 1.00 0.00 O ATOM 1016 CB PHE A 66 1.706 5.219 -3.073 1.00 0.00 C ATOM 1017 CG PHE A 66 1.579 5.885 -1.732 1.00 0.00 C ATOM 1018 CD1 PHE A 66 2.706 6.199 -0.990 1.00 0.00 C ATOM 1019 CD2 PHE A 66 0.332 6.197 -1.216 1.00 0.00 C ATOM 1020 CE1 PHE A 66 2.592 6.812 0.244 1.00 0.00 C ATOM 1021 CE2 PHE A 66 0.212 6.811 0.018 1.00 0.00 C ATOM 1022 CZ PHE A 66 1.343 7.117 0.748 1.00 0.00 C ATOM 0 H PHE A 66 4.006 3.663 -2.807 1.00 0.00 H new ATOM 0 HA PHE A 66 1.098 3.265 -2.415 1.00 0.00 H new ATOM 0 HB2 PHE A 66 2.542 5.663 -3.613 1.00 0.00 H new ATOM 0 HB3 PHE A 66 0.807 5.420 -3.656 1.00 0.00 H new ATOM 0 HD1 PHE A 66 3.685 5.962 -1.380 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.556 5.958 -1.783 1.00 0.00 H new ATOM 0 HE1 PHE A 66 3.478 7.052 0.813 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -0.765 7.051 0.410 1.00 0.00 H new ATOM 0 HZ PHE A 66 1.251 7.594 1.712 1.00 0.00 H new ATOM 1032 N ILE A 67 0.990 2.174 -4.620 1.00 0.00 N ATOM 1033 CA ILE A 67 0.879 1.517 -5.917 1.00 0.00 C ATOM 1034 C ILE A 67 -0.365 1.982 -6.666 1.00 0.00 C ATOM 1035 O ILE A 67 -1.490 1.736 -6.233 1.00 0.00 O ATOM 1036 CB ILE A 67 0.833 -0.016 -5.770 1.00 0.00 C ATOM 1037 CG1 ILE A 67 2.086 -0.520 -5.051 1.00 0.00 C ATOM 1038 CG2 ILE A 67 0.696 -0.675 -7.134 1.00 0.00 C ATOM 1039 CD1 ILE A 67 1.969 -1.947 -4.564 1.00 0.00 C ATOM 0 H ILE A 67 0.307 1.862 -3.929 1.00 0.00 H new ATOM 0 HA ILE A 67 1.767 1.793 -6.486 1.00 0.00 H new ATOM 0 HB ILE A 67 -0.038 -0.283 -5.171 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.938 -0.444 -5.726 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.294 0.130 -4.201 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.665 -1.758 -7.013 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.224 -0.336 -7.611 1.00 0.00 H new ATOM 0 HG23 ILE A 67 1.549 -0.404 -7.756 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.893 -2.238 -4.064 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.137 -2.025 -3.864 1.00 0.00 H new ATOM 0 HD13 ILE A 67 1.792 -2.608 -5.413 1.00 0.00 H new ATOM 1051 N GLU A 68 -0.153 2.656 -7.792 1.00 0.00 N ATOM 1052 CA GLU A 68 -1.258 3.155 -8.602 1.00 0.00 C ATOM 1053 C GLU A 68 -1.693 2.116 -9.631 1.00 0.00 C ATOM 1054 O GLU A 68 -1.023 1.911 -10.642 1.00 0.00 O ATOM 1055 CB GLU A 68 -0.858 4.452 -9.308 1.00 0.00 C ATOM 1056 CG GLU A 68 -1.834 4.884 -10.389 1.00 0.00 C ATOM 1057 CD GLU A 68 -1.399 6.153 -11.096 1.00 0.00 C ATOM 1058 OE1 GLU A 68 -0.546 6.877 -10.542 1.00 0.00 O ATOM 1059 OE2 GLU A 68 -1.910 6.420 -12.204 1.00 0.00 O ATOM 0 H GLU A 68 0.773 2.869 -8.164 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.098 3.356 -7.938 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.774 5.247 -8.568 1.00 0.00 H new ATOM 0 HB3 GLU A 68 0.129 4.324 -9.752 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -1.938 4.083 -11.121 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -2.817 5.039 -9.944 1.00 0.00 H new ATOM 1066 N MET A 69 -2.818 1.461 -9.363 1.00 0.00 N ATOM 1067 CA MET A 69 -3.342 0.442 -10.266 1.00 0.00 C ATOM 1068 C MET A 69 -3.722 1.052 -11.611 1.00 0.00 C ATOM 1069 O MET A 69 -3.646 2.266 -11.795 1.00 0.00 O ATOM 1070 CB MET A 69 -4.558 -0.245 -9.642 1.00 0.00 C ATOM 1071 CG MET A 69 -4.318 -0.735 -8.223 1.00 0.00 C ATOM 1072 SD MET A 69 -2.744 -1.597 -8.043 1.00 0.00 S ATOM 1073 CE MET A 69 -3.052 -3.070 -9.015 1.00 0.00 C ATOM 0 H MET A 69 -3.384 1.617 -8.529 1.00 0.00 H new ATOM 0 HA MET A 69 -2.560 -0.299 -10.431 1.00 0.00 H new ATOM 0 HB2 MET A 69 -5.397 0.451 -9.640 1.00 0.00 H new ATOM 0 HB3 MET A 69 -4.847 -1.091 -10.266 1.00 0.00 H new ATOM 0 HG2 MET A 69 -4.343 0.114 -7.540 1.00 0.00 H new ATOM 0 HG3 MET A 69 -5.129 -1.402 -7.931 1.00 0.00 H new ATOM 0 HE1 MET A 69 -2.185 -3.280 -9.641 1.00 0.00 H new ATOM 0 HE2 MET A 69 -3.232 -3.914 -8.349 1.00 0.00 H new ATOM 0 HE3 MET A 69 -3.926 -2.913 -9.646 1.00 0.00 H new ATOM 1083 N GLU A 70 -4.132 0.201 -12.547 1.00 0.00 N ATOM 1084 CA GLU A 70 -4.522 0.659 -13.875 1.00 0.00 C ATOM 1085 C GLU A 70 -5.919 1.270 -13.852 1.00 0.00 C ATOM 1086 O GLU A 70 -6.135 2.379 -14.344 1.00 0.00 O ATOM 1087 CB GLU A 70 -4.479 -0.503 -14.871 1.00 0.00 C ATOM 1088 CG GLU A 70 -4.763 -0.086 -16.305 1.00 0.00 C ATOM 1089 CD GLU A 70 -5.508 -1.151 -17.086 1.00 0.00 C ATOM 1090 OE1 GLU A 70 -5.185 -2.346 -16.917 1.00 0.00 O ATOM 1091 OE2 GLU A 70 -6.413 -0.789 -17.867 1.00 0.00 O ATOM 0 H GLU A 70 -4.202 -0.807 -12.410 1.00 0.00 H new ATOM 0 HA GLU A 70 -3.814 1.426 -14.189 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -3.497 -0.973 -14.826 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -5.207 -1.256 -14.569 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.348 0.834 -16.303 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -3.822 0.136 -16.808 1.00 0.00 H new ATOM 1098 N THR A 71 -6.869 0.541 -13.274 1.00 0.00 N ATOM 1099 CA THR A 71 -8.246 1.009 -13.186 1.00 0.00 C ATOM 1100 C THR A 71 -8.700 1.115 -11.735 1.00 0.00 C ATOM 1101 O THR A 71 -7.935 0.828 -10.813 1.00 0.00 O ATOM 1102 CB THR A 71 -9.207 0.076 -13.946 1.00 0.00 C ATOM 1103 OG1 THR A 71 -9.546 -1.049 -13.127 1.00 0.00 O ATOM 1104 CG2 THR A 71 -8.580 -0.405 -15.245 1.00 0.00 C ATOM 0 H THR A 71 -6.709 -0.377 -12.859 1.00 0.00 H new ATOM 0 HA THR A 71 -8.273 1.997 -13.645 1.00 0.00 H new ATOM 0 HB THR A 71 -10.111 0.637 -14.184 1.00 0.00 H new ATOM 0 HG1 THR A 71 -10.159 -1.637 -13.616 1.00 0.00 H new ATOM 0 HG21 THR A 71 -9.277 -1.062 -15.764 1.00 0.00 H new ATOM 0 HG22 THR A 71 -8.350 0.452 -15.878 1.00 0.00 H new ATOM 0 HG23 THR A 71 -7.662 -0.950 -15.026 1.00 0.00 H new ATOM 1112 N ARG A 72 -9.948 1.527 -11.537 1.00 0.00 N ATOM 1113 CA ARG A 72 -10.502 1.670 -10.197 1.00 0.00 C ATOM 1114 C ARG A 72 -10.856 0.308 -9.606 1.00 0.00 C ATOM 1115 O ARG A 72 -10.610 0.051 -8.427 1.00 0.00 O ATOM 1116 CB ARG A 72 -11.746 2.561 -10.228 1.00 0.00 C ATOM 1117 CG ARG A 72 -12.117 3.138 -8.872 1.00 0.00 C ATOM 1118 CD ARG A 72 -11.655 4.580 -8.736 1.00 0.00 C ATOM 1119 NE ARG A 72 -11.671 5.030 -7.346 1.00 0.00 N ATOM 1120 CZ ARG A 72 -12.784 5.319 -6.680 1.00 0.00 C ATOM 1121 NH1 ARG A 72 -13.964 5.204 -7.274 1.00 0.00 N ATOM 1122 NH2 ARG A 72 -12.718 5.723 -5.418 1.00 0.00 N ATOM 0 H ARG A 72 -10.594 1.768 -12.288 1.00 0.00 H new ATOM 0 HA ARG A 72 -9.744 2.136 -9.567 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -11.579 3.380 -10.928 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -12.587 1.982 -10.609 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -13.197 3.086 -8.737 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -11.668 2.535 -8.083 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -10.646 4.677 -9.137 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -12.299 5.225 -9.334 1.00 0.00 H new ATOM 0 HE ARG A 72 -10.779 5.128 -6.860 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -14.019 4.893 -8.244 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -14.817 5.426 -6.761 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -11.812 5.812 -4.958 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -13.573 5.945 -4.908 1.00 0.00 H new ATOM 1136 N GLU A 73 -11.432 -0.559 -10.433 1.00 0.00 N ATOM 1137 CA GLU A 73 -11.818 -1.894 -9.991 1.00 0.00 C ATOM 1138 C GLU A 73 -10.651 -2.600 -9.307 1.00 0.00 C ATOM 1139 O GLU A 73 -10.706 -2.899 -8.114 1.00 0.00 O ATOM 1140 CB GLU A 73 -12.309 -2.726 -11.177 1.00 0.00 C ATOM 1141 CG GLU A 73 -13.685 -3.336 -10.965 1.00 0.00 C ATOM 1142 CD GLU A 73 -13.768 -4.770 -11.455 1.00 0.00 C ATOM 1143 OE1 GLU A 73 -13.165 -5.653 -10.811 1.00 0.00 O ATOM 1144 OE2 GLU A 73 -14.438 -5.006 -12.481 1.00 0.00 O ATOM 0 H GLU A 73 -11.641 -0.361 -11.411 1.00 0.00 H new ATOM 0 HA GLU A 73 -12.629 -1.790 -9.270 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -12.333 -2.096 -12.066 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -11.593 -3.524 -11.371 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -13.934 -3.303 -9.904 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -14.430 -2.734 -11.486 1.00 0.00 H new ATOM 1151 N ASP A 74 -9.598 -2.864 -10.072 1.00 0.00 N ATOM 1152 CA ASP A 74 -8.417 -3.536 -9.542 1.00 0.00 C ATOM 1153 C ASP A 74 -8.094 -3.037 -8.137 1.00 0.00 C ATOM 1154 O ASP A 74 -8.189 -3.785 -7.165 1.00 0.00 O ATOM 1155 CB ASP A 74 -7.219 -3.310 -10.465 1.00 0.00 C ATOM 1156 CG ASP A 74 -7.479 -3.788 -11.880 1.00 0.00 C ATOM 1157 OD1 ASP A 74 -8.259 -4.750 -12.046 1.00 0.00 O ATOM 1158 OD2 ASP A 74 -6.904 -3.202 -12.820 1.00 0.00 O ATOM 0 H ASP A 74 -9.538 -2.623 -11.061 1.00 0.00 H new ATOM 0 HA ASP A 74 -8.629 -4.604 -9.489 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -6.973 -2.248 -10.483 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -6.351 -3.831 -10.062 1.00 0.00 H new ATOM 1163 N ALA A 75 -7.711 -1.768 -8.039 1.00 0.00 N ATOM 1164 CA ALA A 75 -7.374 -1.170 -6.753 1.00 0.00 C ATOM 1165 C ALA A 75 -8.422 -1.507 -5.699 1.00 0.00 C ATOM 1166 O ALA A 75 -8.089 -1.924 -4.590 1.00 0.00 O ATOM 1167 CB ALA A 75 -7.231 0.339 -6.895 1.00 0.00 C ATOM 0 H ALA A 75 -7.626 -1.135 -8.834 1.00 0.00 H new ATOM 0 HA ALA A 75 -6.421 -1.586 -6.425 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.979 0.773 -5.927 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.440 0.564 -7.610 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -8.171 0.762 -7.249 1.00 0.00 H new ATOM 1173 N MET A 76 -9.690 -1.324 -6.052 1.00 0.00 N ATOM 1174 CA MET A 76 -10.787 -1.610 -5.135 1.00 0.00 C ATOM 1175 C MET A 76 -10.772 -3.075 -4.708 1.00 0.00 C ATOM 1176 O MET A 76 -11.055 -3.398 -3.555 1.00 0.00 O ATOM 1177 CB MET A 76 -12.128 -1.272 -5.789 1.00 0.00 C ATOM 1178 CG MET A 76 -12.262 0.191 -6.179 1.00 0.00 C ATOM 1179 SD MET A 76 -13.292 1.125 -5.031 1.00 0.00 S ATOM 1180 CE MET A 76 -12.140 2.387 -4.494 1.00 0.00 C ATOM 0 H MET A 76 -9.983 -0.979 -6.966 1.00 0.00 H new ATOM 0 HA MET A 76 -10.656 -0.990 -4.248 1.00 0.00 H new ATOM 0 HB2 MET A 76 -12.255 -1.890 -6.678 1.00 0.00 H new ATOM 0 HB3 MET A 76 -12.934 -1.532 -5.102 1.00 0.00 H new ATOM 0 HG2 MET A 76 -11.271 0.643 -6.223 1.00 0.00 H new ATOM 0 HG3 MET A 76 -12.688 0.258 -7.180 1.00 0.00 H new ATOM 0 HE1 MET A 76 -12.630 3.360 -4.517 1.00 0.00 H new ATOM 0 HE2 MET A 76 -11.811 2.170 -3.478 1.00 0.00 H new ATOM 0 HE3 MET A 76 -11.277 2.399 -5.160 1.00 0.00 H new ATOM 1190 N ALA A 77 -10.439 -3.956 -5.646 1.00 0.00 N ATOM 1191 CA ALA A 77 -10.385 -5.385 -5.366 1.00 0.00 C ATOM 1192 C ALA A 77 -9.259 -5.712 -4.390 1.00 0.00 C ATOM 1193 O ALA A 77 -9.307 -6.721 -3.688 1.00 0.00 O ATOM 1194 CB ALA A 77 -10.210 -6.170 -6.658 1.00 0.00 C ATOM 0 H ALA A 77 -10.203 -3.705 -6.606 1.00 0.00 H new ATOM 0 HA ALA A 77 -11.328 -5.674 -4.902 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -10.171 -7.236 -6.434 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -11.051 -5.969 -7.322 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -9.283 -5.868 -7.145 1.00 0.00 H new ATOM 1200 N MET A 78 -8.248 -4.850 -4.352 1.00 0.00 N ATOM 1201 CA MET A 78 -7.111 -5.048 -3.461 1.00 0.00 C ATOM 1202 C MET A 78 -7.466 -4.653 -2.031 1.00 0.00 C ATOM 1203 O MET A 78 -7.393 -5.471 -1.114 1.00 0.00 O ATOM 1204 CB MET A 78 -5.909 -4.232 -3.944 1.00 0.00 C ATOM 1205 CG MET A 78 -4.573 -4.782 -3.473 1.00 0.00 C ATOM 1206 SD MET A 78 -3.170 -3.918 -4.204 1.00 0.00 S ATOM 1207 CE MET A 78 -1.822 -4.564 -3.216 1.00 0.00 C ATOM 0 H MET A 78 -8.193 -4.009 -4.927 1.00 0.00 H new ATOM 0 HA MET A 78 -6.851 -6.107 -3.473 1.00 0.00 H new ATOM 0 HB2 MET A 78 -5.916 -4.200 -5.034 1.00 0.00 H new ATOM 0 HB3 MET A 78 -6.013 -3.205 -3.595 1.00 0.00 H new ATOM 0 HG2 MET A 78 -4.516 -4.706 -2.387 1.00 0.00 H new ATOM 0 HG3 MET A 78 -4.512 -5.841 -3.722 1.00 0.00 H new ATOM 0 HE1 MET A 78 -1.379 -3.757 -2.633 1.00 0.00 H new ATOM 0 HE2 MET A 78 -2.200 -5.333 -2.543 1.00 0.00 H new ATOM 0 HE3 MET A 78 -1.065 -4.996 -3.871 1.00 0.00 H new ATOM 1217 N VAL A 79 -7.850 -3.394 -1.847 1.00 0.00 N ATOM 1218 CA VAL A 79 -8.217 -2.890 -0.529 1.00 0.00 C ATOM 1219 C VAL A 79 -9.303 -3.753 0.106 1.00 0.00 C ATOM 1220 O VAL A 79 -9.301 -3.980 1.316 1.00 0.00 O ATOM 1221 CB VAL A 79 -8.711 -1.433 -0.601 1.00 0.00 C ATOM 1222 CG1 VAL A 79 -7.718 -0.571 -1.366 1.00 0.00 C ATOM 1223 CG2 VAL A 79 -10.089 -1.370 -1.242 1.00 0.00 C ATOM 0 H VAL A 79 -7.915 -2.704 -2.595 1.00 0.00 H new ATOM 0 HA VAL A 79 -7.318 -2.930 0.086 1.00 0.00 H new ATOM 0 HB VAL A 79 -8.789 -1.042 0.414 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -8.083 0.455 -1.407 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.752 -0.593 -0.861 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -7.606 -0.957 -2.379 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -10.423 -0.333 -1.285 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -10.040 -1.778 -2.252 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -10.793 -1.954 -0.649 1.00 0.00 H new ATOM 1233 N ASP A 80 -10.228 -4.230 -0.719 1.00 0.00 N ATOM 1234 CA ASP A 80 -11.320 -5.069 -0.239 1.00 0.00 C ATOM 1235 C ASP A 80 -10.797 -6.423 0.233 1.00 0.00 C ATOM 1236 O ASP A 80 -11.112 -6.872 1.335 1.00 0.00 O ATOM 1237 CB ASP A 80 -12.362 -5.266 -1.340 1.00 0.00 C ATOM 1238 CG ASP A 80 -13.780 -5.251 -0.805 1.00 0.00 C ATOM 1239 OD1 ASP A 80 -14.034 -4.532 0.184 1.00 0.00 O ATOM 1240 OD2 ASP A 80 -14.637 -5.959 -1.375 1.00 0.00 O ATOM 0 H ASP A 80 -10.244 -4.050 -1.723 1.00 0.00 H new ATOM 0 HA ASP A 80 -11.788 -4.565 0.607 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -12.250 -4.480 -2.087 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -12.178 -6.214 -1.845 1.00 0.00 H new ATOM 1245 N HIS A 81 -9.999 -7.070 -0.610 1.00 0.00 N ATOM 1246 CA HIS A 81 -9.434 -8.373 -0.279 1.00 0.00 C ATOM 1247 C HIS A 81 -8.773 -8.345 1.095 1.00 0.00 C ATOM 1248 O HIS A 81 -8.725 -9.359 1.792 1.00 0.00 O ATOM 1249 CB HIS A 81 -8.416 -8.794 -1.340 1.00 0.00 C ATOM 1250 CG HIS A 81 -7.953 -10.211 -1.195 1.00 0.00 C ATOM 1251 ND1 HIS A 81 -6.775 -10.558 -0.569 1.00 0.00 N ATOM 1252 CD2 HIS A 81 -8.518 -11.373 -1.600 1.00 0.00 C ATOM 1253 CE1 HIS A 81 -6.634 -11.871 -0.596 1.00 0.00 C ATOM 1254 NE2 HIS A 81 -7.678 -12.389 -1.215 1.00 0.00 N ATOM 0 H HIS A 81 -9.729 -6.714 -1.527 1.00 0.00 H new ATOM 0 HA HIS A 81 -10.246 -9.100 -0.257 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -8.858 -8.664 -2.328 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -7.553 -8.131 -1.287 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -9.454 -11.481 -2.127 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -5.805 -12.426 -0.182 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -7.836 -13.383 -1.381 1.00 0.00 H new ATOM 1262 N CYS A 82 -8.263 -7.180 1.478 1.00 0.00 N ATOM 1263 CA CYS A 82 -7.603 -7.022 2.768 1.00 0.00 C ATOM 1264 C CYS A 82 -8.624 -6.780 3.875 1.00 0.00 C ATOM 1265 O CYS A 82 -8.356 -7.039 5.049 1.00 0.00 O ATOM 1266 CB CYS A 82 -6.606 -5.863 2.716 1.00 0.00 C ATOM 1267 SG CYS A 82 -6.168 -5.190 4.337 1.00 0.00 S ATOM 0 H CYS A 82 -8.294 -6.331 0.913 1.00 0.00 H new ATOM 0 HA CYS A 82 -7.066 -7.944 2.989 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -5.698 -6.202 2.218 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -7.026 -5.064 2.105 1.00 0.00 H new ATOM 0 HG CYS A 82 -6.841 -5.809 5.260 1.00 0.00 H new ATOM 1273 N LEU A 83 -9.794 -6.279 3.494 1.00 0.00 N ATOM 1274 CA LEU A 83 -10.856 -6.000 4.455 1.00 0.00 C ATOM 1275 C LEU A 83 -11.461 -7.295 4.989 1.00 0.00 C ATOM 1276 O LEU A 83 -11.544 -7.501 6.200 1.00 0.00 O ATOM 1277 CB LEU A 83 -11.946 -5.145 3.807 1.00 0.00 C ATOM 1278 CG LEU A 83 -11.615 -3.663 3.625 1.00 0.00 C ATOM 1279 CD1 LEU A 83 -12.350 -3.096 2.420 1.00 0.00 C ATOM 1280 CD2 LEU A 83 -11.966 -2.880 4.881 1.00 0.00 C ATOM 0 H LEU A 83 -10.031 -6.058 2.527 1.00 0.00 H new ATOM 0 HA LEU A 83 -10.421 -5.451 5.290 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -12.179 -5.568 2.830 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -12.849 -5.224 4.412 1.00 0.00 H new ATOM 0 HG LEU A 83 -10.543 -3.569 3.449 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -12.102 -2.041 2.306 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -12.050 -3.638 1.523 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -13.425 -3.203 2.566 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -11.724 -1.828 4.733 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -13.031 -2.982 5.087 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -11.395 -3.269 5.724 1.00 0.00 H new ATOM 1292 N LYS A 84 -11.879 -8.167 4.078 1.00 0.00 N ATOM 1293 CA LYS A 84 -12.474 -9.444 4.455 1.00 0.00 C ATOM 1294 C LYS A 84 -11.422 -10.381 5.040 1.00 0.00 C ATOM 1295 O LYS A 84 -11.650 -11.027 6.063 1.00 0.00 O ATOM 1296 CB LYS A 84 -13.139 -10.099 3.243 1.00 0.00 C ATOM 1297 CG LYS A 84 -14.344 -9.334 2.723 1.00 0.00 C ATOM 1298 CD LYS A 84 -14.094 -8.784 1.328 1.00 0.00 C ATOM 1299 CE LYS A 84 -14.294 -9.851 0.264 1.00 0.00 C ATOM 1300 NZ LYS A 84 -13.384 -9.652 -0.899 1.00 0.00 N ATOM 0 H LYS A 84 -11.817 -8.012 3.072 1.00 0.00 H new ATOM 0 HA LYS A 84 -13.230 -9.254 5.216 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -12.405 -10.192 2.442 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -13.448 -11.109 3.511 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -15.214 -9.991 2.706 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -14.577 -8.514 3.402 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -14.769 -7.949 1.139 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -13.078 -8.393 1.266 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -14.118 -10.835 0.699 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -15.329 -9.834 -0.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -13.551 -10.400 -1.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -13.569 -8.724 -1.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -12.396 -9.694 -0.578 1.00 0.00 H new ATOM 1314 N LYS A 85 -10.268 -10.450 4.385 1.00 0.00 N ATOM 1315 CA LYS A 85 -9.179 -11.307 4.840 1.00 0.00 C ATOM 1316 C LYS A 85 -7.910 -10.494 5.075 1.00 0.00 C ATOM 1317 O LYS A 85 -7.726 -9.429 4.487 1.00 0.00 O ATOM 1318 CB LYS A 85 -8.908 -12.411 3.816 1.00 0.00 C ATOM 1319 CG LYS A 85 -10.146 -13.203 3.433 1.00 0.00 C ATOM 1320 CD LYS A 85 -9.928 -13.996 2.157 1.00 0.00 C ATOM 1321 CE LYS A 85 -11.192 -14.050 1.310 1.00 0.00 C ATOM 1322 NZ LYS A 85 -12.251 -14.880 1.947 1.00 0.00 N ATOM 0 H LYS A 85 -10.062 -9.922 3.537 1.00 0.00 H new ATOM 0 HA LYS A 85 -9.479 -11.762 5.784 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -8.480 -11.965 2.918 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -8.161 -13.094 4.220 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -10.410 -13.882 4.244 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -10.987 -12.523 3.300 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -9.121 -13.544 1.580 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -9.613 -15.009 2.407 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -11.568 -13.039 1.154 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -10.954 -14.457 0.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -13.095 -14.892 1.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -11.902 -15.851 2.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -12.497 -14.477 2.874 1.00 0.00 H new ATOM 1336 N ALA A 86 -7.037 -11.005 5.937 1.00 0.00 N ATOM 1337 CA ALA A 86 -5.783 -10.328 6.247 1.00 0.00 C ATOM 1338 C ALA A 86 -4.764 -10.523 5.129 1.00 0.00 C ATOM 1339 O ALA A 86 -4.378 -11.650 4.817 1.00 0.00 O ATOM 1340 CB ALA A 86 -5.223 -10.832 7.569 1.00 0.00 C ATOM 0 H ALA A 86 -7.175 -11.885 6.433 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.987 -9.261 6.336 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -4.287 -10.318 7.787 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -5.940 -10.635 8.366 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.041 -11.905 7.502 1.00 0.00 H new ATOM 1346 N LEU A 87 -4.332 -9.418 4.531 1.00 0.00 N ATOM 1347 CA LEU A 87 -3.357 -9.468 3.447 1.00 0.00 C ATOM 1348 C LEU A 87 -1.935 -9.542 3.995 1.00 0.00 C ATOM 1349 O LEU A 87 -1.441 -8.587 4.595 1.00 0.00 O ATOM 1350 CB LEU A 87 -3.505 -8.241 2.545 1.00 0.00 C ATOM 1351 CG LEU A 87 -3.064 -8.418 1.092 1.00 0.00 C ATOM 1352 CD1 LEU A 87 -3.868 -7.509 0.175 1.00 0.00 C ATOM 1353 CD2 LEU A 87 -1.574 -8.142 0.948 1.00 0.00 C ATOM 0 H LEU A 87 -4.641 -8.478 4.778 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.548 -10.367 2.862 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.551 -7.935 2.551 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.931 -7.423 2.981 1.00 0.00 H new ATOM 0 HG LEU A 87 -3.251 -9.451 0.800 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.540 -7.649 -0.855 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -4.927 -7.756 0.255 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -3.714 -6.470 0.467 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.279 -8.273 -0.093 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.362 -7.119 1.259 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.013 -8.836 1.574 1.00 0.00 H new ATOM 1365 N TRP A 88 -1.284 -10.679 3.784 1.00 0.00 N ATOM 1366 CA TRP A 88 0.082 -10.876 4.256 1.00 0.00 C ATOM 1367 C TRP A 88 1.071 -10.824 3.096 1.00 0.00 C ATOM 1368 O TRP A 88 0.973 -11.603 2.147 1.00 0.00 O ATOM 1369 CB TRP A 88 0.203 -12.214 4.986 1.00 0.00 C ATOM 1370 CG TRP A 88 -0.616 -12.284 6.239 1.00 0.00 C ATOM 1371 CD1 TRP A 88 -1.914 -12.695 6.347 1.00 0.00 C ATOM 1372 CD2 TRP A 88 -0.192 -11.931 7.560 1.00 0.00 C ATOM 1373 NE1 TRP A 88 -2.323 -12.618 7.657 1.00 0.00 N ATOM 1374 CE2 TRP A 88 -1.285 -12.153 8.421 1.00 0.00 C ATOM 1375 CE3 TRP A 88 1.004 -11.451 8.101 1.00 0.00 C ATOM 1376 CZ2 TRP A 88 -1.215 -11.910 9.790 1.00 0.00 C ATOM 1377 CZ3 TRP A 88 1.072 -11.210 9.459 1.00 0.00 C ATOM 1378 CH2 TRP A 88 -0.032 -11.440 10.292 1.00 0.00 C ATOM 0 H TRP A 88 -1.679 -11.479 3.289 1.00 0.00 H new ATOM 0 HA TRP A 88 0.321 -10.069 4.949 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -0.105 -13.015 4.314 1.00 0.00 H new ATOM 0 HB3 TRP A 88 1.250 -12.391 5.234 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -2.528 -13.031 5.525 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -3.249 -12.867 8.004 1.00 0.00 H new ATOM 0 HE3 TRP A 88 1.860 -11.272 7.468 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -2.065 -12.086 10.433 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 1.991 -10.838 9.887 1.00 0.00 H new ATOM 0 HH2 TRP A 88 0.053 -11.242 11.350 1.00 0.00 H new ATOM 1433 N ARG A 92 4.072 -10.302 7.456 1.00 0.00 N ATOM 1434 CA ARG A 92 3.487 -9.136 8.109 1.00 0.00 C ATOM 1435 C ARG A 92 2.099 -8.840 7.550 1.00 0.00 C ATOM 1436 O ARG A 92 1.830 -9.076 6.371 1.00 0.00 O ATOM 1437 CB ARG A 92 4.393 -7.916 7.931 1.00 0.00 C ATOM 1438 CG ARG A 92 5.706 -8.017 8.689 1.00 0.00 C ATOM 1439 CD ARG A 92 6.046 -6.710 9.388 1.00 0.00 C ATOM 1440 NE ARG A 92 7.488 -6.487 9.461 1.00 0.00 N ATOM 1441 CZ ARG A 92 8.047 -5.511 10.168 1.00 0.00 C ATOM 1442 NH1 ARG A 92 7.288 -4.671 10.859 1.00 0.00 N ATOM 1443 NH2 ARG A 92 9.367 -5.374 10.184 1.00 0.00 N ATOM 0 HA ARG A 92 3.392 -9.356 9.172 1.00 0.00 H new ATOM 0 HB2 ARG A 92 4.605 -7.783 6.870 1.00 0.00 H new ATOM 0 HB3 ARG A 92 3.859 -7.026 8.263 1.00 0.00 H new ATOM 0 HG2 ARG A 92 5.642 -8.819 9.425 1.00 0.00 H new ATOM 0 HG3 ARG A 92 6.507 -8.281 7.998 1.00 0.00 H new ATOM 0 HD2 ARG A 92 5.578 -5.882 8.856 1.00 0.00 H new ATOM 0 HD3 ARG A 92 5.629 -6.718 10.395 1.00 0.00 H new ATOM 0 HE ARG A 92 8.100 -7.116 8.940 1.00 0.00 H new ATOM 0 HH11 ARG A 92 6.273 -4.774 10.848 1.00 0.00 H new ATOM 0 HH12 ARG A 92 7.719 -3.922 11.401 1.00 0.00 H new ATOM 0 HH21 ARG A 92 9.953 -6.018 9.653 1.00 0.00 H new ATOM 0 HH22 ARG A 92 9.795 -4.624 10.727 1.00 0.00 H new ATOM 1457 N CYS A 93 1.222 -8.320 8.401 1.00 0.00 N ATOM 1458 CA CYS A 93 -0.138 -7.991 7.993 1.00 0.00 C ATOM 1459 C CYS A 93 -0.210 -6.577 7.427 1.00 0.00 C ATOM 1460 O CYS A 93 -0.968 -5.738 7.916 1.00 0.00 O ATOM 1461 CB CYS A 93 -1.097 -8.129 9.177 1.00 0.00 C ATOM 1462 SG CYS A 93 -2.844 -8.134 8.716 1.00 0.00 S ATOM 0 H CYS A 93 1.429 -8.117 9.379 1.00 0.00 H new ATOM 0 HA CYS A 93 -0.434 -8.691 7.212 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -0.870 -9.053 9.708 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -0.918 -7.309 9.873 1.00 0.00 H new ATOM 0 HG CYS A 93 -2.977 -8.640 7.526 1.00 0.00 H new ATOM 1468 N VAL A 94 0.585 -6.317 6.394 1.00 0.00 N ATOM 1469 CA VAL A 94 0.613 -5.004 5.761 1.00 0.00 C ATOM 1470 C VAL A 94 -0.797 -4.456 5.570 1.00 0.00 C ATOM 1471 O VAL A 94 -1.729 -5.201 5.264 1.00 0.00 O ATOM 1472 CB VAL A 94 1.321 -5.054 4.394 1.00 0.00 C ATOM 1473 CG1 VAL A 94 0.839 -6.249 3.586 1.00 0.00 C ATOM 1474 CG2 VAL A 94 1.098 -3.758 3.631 1.00 0.00 C ATOM 0 H VAL A 94 1.219 -6.999 5.977 1.00 0.00 H new ATOM 0 HA VAL A 94 1.170 -4.344 6.426 1.00 0.00 H new ATOM 0 HB VAL A 94 2.392 -5.169 4.563 1.00 0.00 H new ATOM 0 HG11 VAL A 94 1.350 -6.268 2.624 1.00 0.00 H new ATOM 0 HG12 VAL A 94 1.057 -7.168 4.130 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -0.236 -6.169 3.424 1.00 0.00 H new ATOM 0 HG21 VAL A 94 1.605 -3.811 2.668 1.00 0.00 H new ATOM 0 HG22 VAL A 94 0.030 -3.609 3.471 1.00 0.00 H new ATOM 0 HG23 VAL A 94 1.499 -2.923 4.206 1.00 0.00 H new ATOM 1484 N LYS A 95 -0.948 -3.149 5.751 1.00 0.00 N ATOM 1485 CA LYS A 95 -2.244 -2.498 5.598 1.00 0.00 C ATOM 1486 C LYS A 95 -2.383 -1.884 4.209 1.00 0.00 C ATOM 1487 O LYS A 95 -1.590 -1.028 3.816 1.00 0.00 O ATOM 1488 CB LYS A 95 -2.425 -1.417 6.667 1.00 0.00 C ATOM 1489 CG LYS A 95 -3.602 -1.670 7.594 1.00 0.00 C ATOM 1490 CD LYS A 95 -3.440 -0.934 8.913 1.00 0.00 C ATOM 1491 CE LYS A 95 -2.973 -1.868 10.018 1.00 0.00 C ATOM 1492 NZ LYS A 95 -1.572 -1.581 10.433 1.00 0.00 N ATOM 0 H LYS A 95 -0.188 -2.518 6.004 1.00 0.00 H new ATOM 0 HA LYS A 95 -3.019 -3.254 5.721 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -1.514 -1.349 7.261 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -2.559 -0.452 6.177 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -4.524 -1.350 7.109 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -3.695 -2.740 7.782 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -2.722 -0.123 8.793 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -4.389 -0.479 9.196 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -3.634 -1.770 10.879 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -3.046 -2.900 9.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -1.292 -2.239 11.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -0.937 -1.699 9.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -1.507 -0.604 10.784 1.00 0.00 H new ATOM 1506 N VAL A 96 -3.395 -2.325 3.470 1.00 0.00 N ATOM 1507 CA VAL A 96 -3.640 -1.816 2.125 1.00 0.00 C ATOM 1508 C VAL A 96 -4.980 -1.094 2.047 1.00 0.00 C ATOM 1509 O VAL A 96 -6.036 -1.702 2.223 1.00 0.00 O ATOM 1510 CB VAL A 96 -3.618 -2.950 1.084 1.00 0.00 C ATOM 1511 CG1 VAL A 96 -4.444 -4.134 1.565 1.00 0.00 C ATOM 1512 CG2 VAL A 96 -4.123 -2.448 -0.261 1.00 0.00 C ATOM 0 H VAL A 96 -4.059 -3.034 3.780 1.00 0.00 H new ATOM 0 HA VAL A 96 -2.838 -1.112 1.901 1.00 0.00 H new ATOM 0 HB VAL A 96 -2.588 -3.284 0.958 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.416 -4.925 0.816 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.033 -4.508 2.503 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -5.476 -3.818 1.721 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -4.101 -3.262 -0.985 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -5.145 -2.086 -0.154 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -3.485 -1.636 -0.609 1.00 0.00 H new ATOM 1522 N ASP A 97 -4.930 0.207 1.781 1.00 0.00 N ATOM 1523 CA ASP A 97 -6.141 1.012 1.676 1.00 0.00 C ATOM 1524 C ASP A 97 -6.004 2.060 0.575 1.00 0.00 C ATOM 1525 O ASP A 97 -4.934 2.641 0.386 1.00 0.00 O ATOM 1526 CB ASP A 97 -6.441 1.695 3.012 1.00 0.00 C ATOM 1527 CG ASP A 97 -6.927 0.719 4.065 1.00 0.00 C ATOM 1528 OD1 ASP A 97 -6.190 -0.244 4.363 1.00 0.00 O ATOM 1529 OD2 ASP A 97 -8.042 0.918 4.590 1.00 0.00 O ATOM 0 H ASP A 97 -4.064 0.726 1.634 1.00 0.00 H new ATOM 0 HA ASP A 97 -6.968 0.349 1.421 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -5.541 2.194 3.371 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -7.195 2.467 2.861 1.00 0.00 H new ATOM 1534 N LEU A 98 -7.092 2.295 -0.150 1.00 0.00 N ATOM 1535 CA LEU A 98 -7.093 3.270 -1.234 1.00 0.00 C ATOM 1536 C LEU A 98 -6.932 4.687 -0.691 1.00 0.00 C ATOM 1537 O LEU A 98 -7.619 5.083 0.250 1.00 0.00 O ATOM 1538 CB LEU A 98 -8.389 3.166 -2.040 1.00 0.00 C ATOM 1539 CG LEU A 98 -8.236 2.767 -3.509 1.00 0.00 C ATOM 1540 CD1 LEU A 98 -8.744 1.352 -3.734 1.00 0.00 C ATOM 1541 CD2 LEU A 98 -8.971 3.750 -4.407 1.00 0.00 C ATOM 0 H LEU A 98 -7.985 1.823 -0.006 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.248 3.051 -1.887 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -9.039 2.439 -1.553 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -8.898 4.129 -1.997 1.00 0.00 H new ATOM 0 HG LEU A 98 -7.177 2.794 -3.765 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -8.627 1.086 -4.785 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -8.172 0.658 -3.118 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -9.798 1.296 -3.461 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -8.852 3.451 -5.448 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -10.030 3.755 -4.150 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -8.559 4.749 -4.267 1.00 0.00 H new ATOM 1553 N SER A 99 -6.022 5.446 -1.293 1.00 0.00 N ATOM 1554 CA SER A 99 -5.770 6.817 -0.869 1.00 0.00 C ATOM 1555 C SER A 99 -6.814 7.766 -1.449 1.00 0.00 C ATOM 1556 O SER A 99 -6.929 7.911 -2.666 1.00 0.00 O ATOM 1557 CB SER A 99 -4.369 7.258 -1.301 1.00 0.00 C ATOM 1558 OG SER A 99 -3.667 7.854 -0.224 1.00 0.00 O ATOM 0 H SER A 99 -5.447 5.134 -2.076 1.00 0.00 H new ATOM 0 HA SER A 99 -5.836 6.852 0.218 1.00 0.00 H new ATOM 0 HB2 SER A 99 -3.811 6.397 -1.671 1.00 0.00 H new ATOM 0 HB3 SER A 99 -4.446 7.967 -2.126 1.00 0.00 H new ATOM 0 HG SER A 99 -2.775 8.125 -0.525 1.00 0.00 H new