USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 576 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 89 HIS :FLIP no HD1:sc= -0.455 F(o=-1.9,f=-1.2) USER MOD Set 1.2: A 93 SER OG : rot 80:sc= -0.755 USER MOD Set 2.1: A 49 SER OG : rot 127:sc= 1.77 USER MOD Set 2.2: A 51 SER OG : rot -129:sc= 0.778 USER MOD Set 3.1: A 48 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 82 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 44 SER OG : rot 140:sc= 0.012 USER MOD Set 4.2: A 46 HIS :FLIP no HD1:sc= -0.176 F(o=-1.2,f=-0.16) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 25:sc= 0.455 USER MOD Single : A 29 CYS SG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.0424 X(o=-0.042,f=-0.29) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= -0.338 K(o=-0.34,f=-2.7!) USER MOD Single : A 40 SER OG : rot -150:sc= -0.396 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl -131:sc= -6.64! (180deg=-7.89!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl -102:sc= -0.253 (180deg=-1.42!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -2.13 K(o=-2.1,f=-6.1!) USER MOD Single : A 66 SER OG : rot 64:sc= 0.352 USER MOD Single : A 67 HIS :FLIP no HD1:sc= -1.02 F(o=-1.6,f=-1) USER MOD Single : A 68 CYS SG : rot 180:sc= -0.0492 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HE2:sc= -12.8! C(o=-13!,f=-19!) USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.709 USER MOD Single : A 84 LYS NZ :NH3+ -125:sc= 0 (180deg=-0.795) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.714 K(o=-0.71,f=-1.4!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 311 N ALA A 23 -3.837 -0.862 -11.998 1.00 0.00 N ATOM 312 CA ALA A 23 -4.985 -0.791 -11.103 1.00 0.00 C ATOM 313 C ALA A 23 -6.195 -0.190 -11.810 1.00 0.00 C ATOM 314 O ALA A 23 -6.063 0.735 -12.613 1.00 0.00 O ATOM 315 CB ALA A 23 -4.639 0.020 -9.863 1.00 0.00 C ATOM 0 HA ALA A 23 -5.241 -1.806 -10.799 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -5.506 0.064 -9.204 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.808 -0.453 -9.339 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.354 1.030 -10.157 1.00 0.00 H new ATOM 321 N THR A 24 -7.376 -0.720 -11.507 1.00 0.00 N ATOM 322 CA THR A 24 -8.610 -0.238 -12.115 1.00 0.00 C ATOM 323 C THR A 24 -9.473 0.498 -11.096 1.00 0.00 C ATOM 324 O THR A 24 -9.446 0.188 -9.905 1.00 0.00 O ATOM 325 CB THR A 24 -9.426 -1.393 -12.724 1.00 0.00 C ATOM 326 OG1 THR A 24 -8.569 -2.246 -13.491 1.00 0.00 O ATOM 327 CG2 THR A 24 -10.542 -0.859 -13.609 1.00 0.00 C ATOM 0 H THR A 24 -7.504 -1.484 -10.843 1.00 0.00 H new ATOM 0 HA THR A 24 -8.323 0.451 -12.909 1.00 0.00 H new ATOM 0 HB THR A 24 -9.872 -1.964 -11.909 1.00 0.00 H new ATOM 0 HG1 THR A 24 -9.095 -2.979 -13.874 1.00 0.00 H new ATOM 0 HG21 THR A 24 -11.105 -1.693 -14.028 1.00 0.00 H new ATOM 0 HG22 THR A 24 -11.209 -0.233 -13.016 1.00 0.00 H new ATOM 0 HG23 THR A 24 -10.113 -0.268 -14.418 1.00 0.00 H new ATOM 335 N VAL A 25 -10.241 1.473 -11.572 1.00 0.00 N ATOM 336 CA VAL A 25 -11.114 2.252 -10.702 1.00 0.00 C ATOM 337 C VAL A 25 -12.558 1.771 -10.801 1.00 0.00 C ATOM 338 O VAL A 25 -13.142 1.746 -11.883 1.00 0.00 O ATOM 339 CB VAL A 25 -11.060 3.751 -11.049 1.00 0.00 C ATOM 340 CG1 VAL A 25 -11.586 3.994 -12.455 1.00 0.00 C ATOM 341 CG2 VAL A 25 -11.845 4.562 -10.029 1.00 0.00 C ATOM 0 H VAL A 25 -10.276 1.742 -12.555 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.754 2.110 -9.683 1.00 0.00 H new ATOM 0 HB VAL A 25 -10.020 4.076 -11.016 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -11.540 5.059 -12.682 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -10.976 3.444 -13.172 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -12.619 3.654 -12.521 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -11.796 5.619 -10.289 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -12.885 4.236 -10.028 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -11.417 4.412 -9.038 1.00 0.00 H new ATOM 351 N GLY A 26 -13.128 1.389 -9.662 1.00 0.00 N ATOM 352 CA GLY A 26 -14.499 0.915 -9.641 1.00 0.00 C ATOM 353 C GLY A 26 -14.589 -0.598 -9.665 1.00 0.00 C ATOM 354 O GLY A 26 -15.583 -1.161 -10.125 1.00 0.00 O ATOM 0 H GLY A 26 -12.664 1.399 -8.754 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -14.997 1.292 -8.747 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -15.034 1.322 -10.499 1.00 0.00 H new ATOM 358 N SER A 27 -13.548 -1.260 -9.170 1.00 0.00 N ATOM 359 CA SER A 27 -13.511 -2.717 -9.142 1.00 0.00 C ATOM 360 C SER A 27 -12.605 -3.216 -8.020 1.00 0.00 C ATOM 361 O SER A 27 -11.488 -2.728 -7.847 1.00 0.00 O ATOM 362 CB SER A 27 -13.025 -3.262 -10.486 1.00 0.00 C ATOM 363 OG SER A 27 -14.086 -3.330 -11.423 1.00 0.00 O ATOM 0 H SER A 27 -12.719 -0.810 -8.783 1.00 0.00 H new ATOM 0 HA SER A 27 -14.523 -3.078 -8.956 1.00 0.00 H new ATOM 0 HB2 SER A 27 -12.232 -2.623 -10.876 1.00 0.00 H new ATOM 0 HB3 SER A 27 -12.595 -4.254 -10.346 1.00 0.00 H new ATOM 0 HG SER A 27 -14.781 -2.683 -11.178 1.00 0.00 H new ATOM 369 N ILE A 28 -13.095 -4.190 -7.262 1.00 0.00 N ATOM 370 CA ILE A 28 -12.330 -4.756 -6.158 1.00 0.00 C ATOM 371 C ILE A 28 -11.027 -5.376 -6.652 1.00 0.00 C ATOM 372 O ILE A 28 -11.026 -6.462 -7.233 1.00 0.00 O ATOM 373 CB ILE A 28 -13.140 -5.826 -5.402 1.00 0.00 C ATOM 374 CG1 ILE A 28 -14.481 -5.251 -4.941 1.00 0.00 C ATOM 375 CG2 ILE A 28 -12.346 -6.351 -4.215 1.00 0.00 C ATOM 376 CD1 ILE A 28 -15.556 -6.299 -4.755 1.00 0.00 C ATOM 0 H ILE A 28 -14.018 -4.604 -7.392 1.00 0.00 H new ATOM 0 HA ILE A 28 -12.104 -3.935 -5.478 1.00 0.00 H new ATOM 0 HB ILE A 28 -13.336 -6.657 -6.079 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -14.335 -4.721 -4.000 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -14.823 -4.517 -5.671 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -12.932 -7.106 -3.691 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -11.415 -6.794 -4.568 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -12.122 -5.529 -3.535 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -16.479 -5.820 -4.428 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -15.730 -6.814 -5.700 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -15.235 -7.020 -4.003 1.00 0.00 H new ATOM 388 N CYS A 29 -9.921 -4.680 -6.416 1.00 0.00 N ATOM 389 CA CYS A 29 -8.610 -5.162 -6.836 1.00 0.00 C ATOM 390 C CYS A 29 -7.936 -5.949 -5.717 1.00 0.00 C ATOM 391 O CYS A 29 -7.870 -5.492 -4.576 1.00 0.00 O ATOM 392 CB CYS A 29 -7.723 -3.989 -7.258 1.00 0.00 C ATOM 393 SG CYS A 29 -6.402 -4.439 -8.407 1.00 0.00 S ATOM 0 H CYS A 29 -9.906 -3.780 -5.936 1.00 0.00 H new ATOM 0 HA CYS A 29 -8.750 -5.826 -7.689 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -8.347 -3.224 -7.720 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -7.279 -3.544 -6.367 1.00 0.00 H new ATOM 0 HG CYS A 29 -5.708 -3.381 -8.707 1.00 0.00 H new ATOM 399 N ASP A 30 -7.437 -7.134 -6.052 1.00 0.00 N ATOM 400 CA ASP A 30 -6.768 -7.986 -5.075 1.00 0.00 C ATOM 401 C ASP A 30 -5.320 -7.549 -4.875 1.00 0.00 C ATOM 402 O ASP A 30 -4.474 -7.747 -5.747 1.00 0.00 O ATOM 403 CB ASP A 30 -6.815 -9.447 -5.524 1.00 0.00 C ATOM 404 CG ASP A 30 -8.185 -9.853 -6.030 1.00 0.00 C ATOM 405 OD1 ASP A 30 -9.175 -9.649 -5.296 1.00 0.00 O ATOM 406 OD2 ASP A 30 -8.268 -10.374 -7.162 1.00 0.00 O ATOM 0 H ASP A 30 -7.483 -7.526 -6.992 1.00 0.00 H new ATOM 0 HA ASP A 30 -7.293 -7.889 -4.125 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -6.078 -9.606 -6.311 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.534 -10.090 -4.690 1.00 0.00 H new ATOM 411 N LEU A 31 -5.042 -6.952 -3.721 1.00 0.00 N ATOM 412 CA LEU A 31 -3.696 -6.485 -3.406 1.00 0.00 C ATOM 413 C LEU A 31 -2.906 -7.562 -2.669 1.00 0.00 C ATOM 414 O LEU A 31 -3.064 -7.746 -1.463 1.00 0.00 O ATOM 415 CB LEU A 31 -3.762 -5.214 -2.558 1.00 0.00 C ATOM 416 CG LEU A 31 -2.442 -4.464 -2.369 1.00 0.00 C ATOM 417 CD1 LEU A 31 -2.038 -3.763 -3.656 1.00 0.00 C ATOM 418 CD2 LEU A 31 -2.555 -3.465 -1.227 1.00 0.00 C ATOM 0 H LEU A 31 -5.730 -6.780 -2.988 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.185 -6.263 -4.343 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.481 -4.534 -3.014 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.151 -5.477 -1.575 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.668 -5.188 -2.116 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.097 -3.235 -3.503 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.915 -4.501 -4.449 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.812 -3.050 -3.940 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.607 -2.941 -1.107 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.342 -2.745 -1.450 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.797 -3.993 -0.305 1.00 0.00 H new ATOM 430 N ASN A 32 -2.052 -8.268 -3.402 1.00 0.00 N ATOM 431 CA ASN A 32 -1.235 -9.325 -2.818 1.00 0.00 C ATOM 432 C ASN A 32 0.003 -8.745 -2.142 1.00 0.00 C ATOM 433 O ASN A 32 0.788 -8.030 -2.767 1.00 0.00 O ATOM 434 CB ASN A 32 -0.818 -10.330 -3.894 1.00 0.00 C ATOM 435 CG ASN A 32 -1.819 -11.459 -4.049 1.00 0.00 C ATOM 436 OD1 ASN A 32 -2.249 -12.062 -3.066 1.00 0.00 O ATOM 437 ND2 ASN A 32 -2.195 -11.750 -5.290 1.00 0.00 N ATOM 0 H ASN A 32 -1.908 -8.127 -4.402 1.00 0.00 H new ATOM 0 HA ASN A 32 -1.833 -9.837 -2.064 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -0.707 -9.813 -4.847 1.00 0.00 H new ATOM 0 HB3 ASN A 32 0.158 -10.745 -3.641 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -2.866 -12.500 -5.457 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -1.812 -11.224 -6.075 1.00 0.00 H new ATOM 444 N LEU A 33 0.173 -9.057 -0.862 1.00 0.00 N ATOM 445 CA LEU A 33 1.316 -8.567 -0.100 1.00 0.00 C ATOM 446 C LEU A 33 2.009 -9.709 0.637 1.00 0.00 C ATOM 447 O LEU A 33 1.375 -10.693 1.017 1.00 0.00 O ATOM 448 CB LEU A 33 0.868 -7.498 0.899 1.00 0.00 C ATOM 449 CG LEU A 33 0.033 -6.352 0.327 1.00 0.00 C ATOM 450 CD1 LEU A 33 -0.910 -5.799 1.385 1.00 0.00 C ATOM 451 CD2 LEU A 33 0.935 -5.253 -0.214 1.00 0.00 C ATOM 0 H LEU A 33 -0.466 -9.647 -0.330 1.00 0.00 H new ATOM 0 HA LEU A 33 2.026 -8.127 -0.800 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.291 -7.984 1.686 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.755 -7.075 1.370 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.566 -6.740 -0.497 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.496 -4.984 0.960 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.580 -6.589 1.724 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.331 -5.427 2.230 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.323 -4.446 -0.617 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.561 -4.867 0.591 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.568 -5.658 -1.004 1.00 0.00 H new ATOM 463 N LYS A 34 3.315 -9.570 0.837 1.00 0.00 N ATOM 464 CA LYS A 34 4.096 -10.587 1.531 1.00 0.00 C ATOM 465 C LYS A 34 4.240 -10.247 3.011 1.00 0.00 C ATOM 466 O LYS A 34 4.869 -9.251 3.370 1.00 0.00 O ATOM 467 CB LYS A 34 5.479 -10.723 0.891 1.00 0.00 C ATOM 468 CG LYS A 34 6.300 -9.445 0.939 1.00 0.00 C ATOM 469 CD LYS A 34 7.556 -9.557 0.092 1.00 0.00 C ATOM 470 CE LYS A 34 8.694 -10.206 0.865 1.00 0.00 C ATOM 471 NZ LYS A 34 10.026 -9.779 0.355 1.00 0.00 N ATOM 0 H LYS A 34 3.855 -8.762 0.528 1.00 0.00 H new ATOM 0 HA LYS A 34 3.568 -11.536 1.444 1.00 0.00 H new ATOM 0 HB2 LYS A 34 6.028 -11.517 1.397 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.361 -11.030 -0.148 1.00 0.00 H new ATOM 0 HG2 LYS A 34 5.695 -8.610 0.586 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.574 -9.226 1.971 1.00 0.00 H new ATOM 0 HD2 LYS A 34 7.342 -10.142 -0.802 1.00 0.00 H new ATOM 0 HD3 LYS A 34 7.861 -8.565 -0.242 1.00 0.00 H new ATOM 0 HE2 LYS A 34 8.610 -9.948 1.921 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.609 -11.290 0.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 10.775 -10.243 0.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 10.117 -10.048 -0.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 10.118 -8.747 0.446 1.00 0.00 H new ATOM 485 N ILE A 35 3.655 -11.081 3.865 1.00 0.00 N ATOM 486 CA ILE A 35 3.721 -10.869 5.305 1.00 0.00 C ATOM 487 C ILE A 35 4.071 -12.161 6.035 1.00 0.00 C ATOM 488 O ILE A 35 3.577 -13.240 5.710 1.00 0.00 O ATOM 489 CB ILE A 35 2.389 -10.326 5.856 1.00 0.00 C ATOM 490 CG1 ILE A 35 2.053 -8.982 5.206 1.00 0.00 C ATOM 491 CG2 ILE A 35 2.460 -10.185 7.369 1.00 0.00 C ATOM 492 CD1 ILE A 35 0.583 -8.632 5.268 1.00 0.00 C ATOM 0 H ILE A 35 3.130 -11.909 3.584 1.00 0.00 H new ATOM 0 HA ILE A 35 4.505 -10.132 5.480 1.00 0.00 H new ATOM 0 HB ILE A 35 1.597 -11.034 5.613 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.626 -8.196 5.698 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.370 -9.003 4.163 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.511 -9.800 7.743 1.00 0.00 H new ATOM 0 HG22 ILE A 35 2.658 -11.159 7.816 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.261 -9.495 7.633 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.418 -7.667 4.789 1.00 0.00 H new ATOM 0 HD12 ILE A 35 0.005 -9.398 4.751 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.265 -8.579 6.309 1.00 0.00 H new ATOM 504 N PRO A 36 4.944 -12.050 7.048 1.00 0.00 N ATOM 505 CA PRO A 36 5.379 -13.199 7.848 1.00 0.00 C ATOM 506 C PRO A 36 4.265 -13.740 8.737 1.00 0.00 C ATOM 507 O PRO A 36 3.095 -13.407 8.554 1.00 0.00 O ATOM 508 CB PRO A 36 6.515 -12.628 8.701 1.00 0.00 C ATOM 509 CG PRO A 36 6.223 -11.170 8.793 1.00 0.00 C ATOM 510 CD PRO A 36 5.573 -10.794 7.491 1.00 0.00 C ATOM 0 HA PRO A 36 5.679 -14.041 7.224 1.00 0.00 H new ATOM 0 HB2 PRO A 36 6.540 -13.090 9.688 1.00 0.00 H new ATOM 0 HB3 PRO A 36 7.486 -12.809 8.240 1.00 0.00 H new ATOM 0 HG2 PRO A 36 5.563 -10.957 9.634 1.00 0.00 H new ATOM 0 HG3 PRO A 36 7.137 -10.598 8.952 1.00 0.00 H new ATOM 0 HD2 PRO A 36 4.837 -10.001 7.624 1.00 0.00 H new ATOM 0 HD3 PRO A 36 6.303 -10.433 6.767 1.00 0.00 H new ATOM 518 N GLU A 37 4.637 -14.577 9.701 1.00 0.00 N ATOM 519 CA GLU A 37 3.668 -15.164 10.619 1.00 0.00 C ATOM 520 C GLU A 37 2.696 -14.106 11.134 1.00 0.00 C ATOM 521 O GLU A 37 1.591 -14.426 11.573 1.00 0.00 O ATOM 522 CB GLU A 37 4.385 -15.829 11.796 1.00 0.00 C ATOM 523 CG GLU A 37 5.156 -17.080 11.410 1.00 0.00 C ATOM 524 CD GLU A 37 6.160 -17.496 12.468 1.00 0.00 C ATOM 525 OE1 GLU A 37 5.899 -17.244 13.663 1.00 0.00 O ATOM 526 OE2 GLU A 37 7.205 -18.073 12.102 1.00 0.00 O ATOM 0 H GLU A 37 5.602 -14.863 9.866 1.00 0.00 H new ATOM 0 HA GLU A 37 3.101 -15.919 10.074 1.00 0.00 H new ATOM 0 HB2 GLU A 37 5.073 -15.112 12.244 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.651 -16.086 12.560 1.00 0.00 H new ATOM 0 HG2 GLU A 37 4.454 -17.896 11.239 1.00 0.00 H new ATOM 0 HG3 GLU A 37 5.677 -16.905 10.469 1.00 0.00 H new ATOM 533 N ILE A 38 3.116 -12.847 11.076 1.00 0.00 N ATOM 534 CA ILE A 38 2.283 -11.743 11.535 1.00 0.00 C ATOM 535 C ILE A 38 0.811 -12.001 11.230 1.00 0.00 C ATOM 536 O ILE A 38 0.457 -12.404 10.123 1.00 0.00 O ATOM 537 CB ILE A 38 2.704 -10.412 10.885 1.00 0.00 C ATOM 538 CG1 ILE A 38 4.032 -9.930 11.473 1.00 0.00 C ATOM 539 CG2 ILE A 38 1.621 -9.361 11.079 1.00 0.00 C ATOM 540 CD1 ILE A 38 4.655 -8.786 10.703 1.00 0.00 C ATOM 0 H ILE A 38 4.028 -12.566 10.716 1.00 0.00 H new ATOM 0 HA ILE A 38 2.421 -11.671 12.614 1.00 0.00 H new ATOM 0 HB ILE A 38 2.838 -10.574 9.816 1.00 0.00 H new ATOM 0 HG12 ILE A 38 3.871 -9.618 12.505 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.733 -10.764 11.498 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.934 -8.426 10.614 1.00 0.00 H new ATOM 0 HG22 ILE A 38 0.695 -9.704 10.618 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.458 -9.199 12.144 1.00 0.00 H new ATOM 0 HD11 ILE A 38 5.593 -8.497 11.177 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.848 -9.100 9.677 1.00 0.00 H new ATOM 0 HD13 ILE A 38 3.973 -7.936 10.699 1.00 0.00 H new ATOM 552 N ASN A 39 -0.043 -11.764 12.221 1.00 0.00 N ATOM 553 CA ASN A 39 -1.478 -11.969 12.058 1.00 0.00 C ATOM 554 C ASN A 39 -2.154 -10.701 11.545 1.00 0.00 C ATOM 555 O ASN A 39 -1.498 -9.685 11.314 1.00 0.00 O ATOM 556 CB ASN A 39 -2.107 -12.394 13.387 1.00 0.00 C ATOM 557 CG ASN A 39 -1.522 -13.690 13.915 1.00 0.00 C ATOM 558 OD1 ASN A 39 -0.306 -13.881 13.914 1.00 0.00 O ATOM 559 ND2 ASN A 39 -2.388 -14.588 14.369 1.00 0.00 N ATOM 0 H ASN A 39 0.233 -11.430 13.144 1.00 0.00 H new ATOM 0 HA ASN A 39 -1.626 -12.761 11.323 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -1.960 -11.605 14.124 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -3.183 -12.511 13.256 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -2.054 -15.479 14.736 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -3.388 -14.387 14.351 1.00 0.00 H new ATOM 566 N SER A 40 -3.470 -10.769 11.370 1.00 0.00 N ATOM 567 CA SER A 40 -4.235 -9.628 10.881 1.00 0.00 C ATOM 568 C SER A 40 -4.907 -8.890 12.035 1.00 0.00 C ATOM 569 O SER A 40 -4.895 -7.660 12.090 1.00 0.00 O ATOM 570 CB SER A 40 -5.290 -10.088 9.873 1.00 0.00 C ATOM 571 OG SER A 40 -6.258 -9.078 9.650 1.00 0.00 O ATOM 0 H SER A 40 -4.028 -11.601 11.559 1.00 0.00 H new ATOM 0 HA SER A 40 -3.544 -8.944 10.387 1.00 0.00 H new ATOM 0 HB2 SER A 40 -4.808 -10.348 8.931 1.00 0.00 H new ATOM 0 HB3 SER A 40 -5.779 -10.990 10.240 1.00 0.00 H new ATOM 0 HG SER A 40 -7.117 -9.492 9.426 1.00 0.00 H new ATOM 577 N SER A 41 -5.491 -9.650 12.955 1.00 0.00 N ATOM 578 CA SER A 41 -6.172 -9.069 14.107 1.00 0.00 C ATOM 579 C SER A 41 -5.346 -7.938 14.712 1.00 0.00 C ATOM 580 O SER A 41 -5.882 -7.046 15.370 1.00 0.00 O ATOM 581 CB SER A 41 -6.438 -10.143 15.164 1.00 0.00 C ATOM 582 OG SER A 41 -7.445 -11.043 14.734 1.00 0.00 O ATOM 0 H SER A 41 -5.507 -10.669 12.926 1.00 0.00 H new ATOM 0 HA SER A 41 -7.124 -8.660 13.767 1.00 0.00 H new ATOM 0 HB2 SER A 41 -5.519 -10.692 15.369 1.00 0.00 H new ATOM 0 HB3 SER A 41 -6.742 -9.671 16.098 1.00 0.00 H new ATOM 0 HG SER A 41 -7.595 -11.721 15.426 1.00 0.00 H new ATOM 588 N ASP A 42 -4.038 -7.982 14.485 1.00 0.00 N ATOM 589 CA ASP A 42 -3.136 -6.961 15.006 1.00 0.00 C ATOM 590 C ASP A 42 -2.806 -5.929 13.933 1.00 0.00 C ATOM 591 O ASP A 42 -2.647 -4.744 14.225 1.00 0.00 O ATOM 592 CB ASP A 42 -1.850 -7.604 15.526 1.00 0.00 C ATOM 593 CG ASP A 42 -2.114 -8.868 16.320 1.00 0.00 C ATOM 594 OD1 ASP A 42 -2.764 -9.785 15.776 1.00 0.00 O ATOM 595 OD2 ASP A 42 -1.671 -8.941 17.486 1.00 0.00 O ATOM 0 H ASP A 42 -3.578 -8.714 13.943 1.00 0.00 H new ATOM 0 HA ASP A 42 -3.638 -6.454 15.830 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -1.198 -7.837 14.684 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -1.318 -6.889 16.153 1.00 0.00 H new ATOM 600 N MET A 43 -2.702 -6.387 12.690 1.00 0.00 N ATOM 601 CA MET A 43 -2.391 -5.503 11.573 1.00 0.00 C ATOM 602 C MET A 43 -3.634 -4.747 11.114 1.00 0.00 C ATOM 603 O MET A 43 -4.760 -5.157 11.396 1.00 0.00 O ATOM 604 CB MET A 43 -1.808 -6.304 10.407 1.00 0.00 C ATOM 605 CG MET A 43 -0.302 -6.494 10.493 1.00 0.00 C ATOM 606 SD MET A 43 0.427 -6.988 8.920 1.00 0.00 S ATOM 607 CE MET A 43 -0.706 -8.279 8.413 1.00 0.00 C ATOM 0 H MET A 43 -2.829 -7.365 12.431 1.00 0.00 H new ATOM 0 HA MET A 43 -1.651 -4.778 11.912 1.00 0.00 H new ATOM 0 HB2 MET A 43 -2.288 -7.282 10.373 1.00 0.00 H new ATOM 0 HB3 MET A 43 -2.049 -5.798 9.472 1.00 0.00 H new ATOM 0 HG2 MET A 43 0.159 -5.564 10.827 1.00 0.00 H new ATOM 0 HG3 MET A 43 -0.077 -7.249 11.246 1.00 0.00 H new ATOM 0 HE1 MET A 43 -0.141 -9.162 8.115 1.00 0.00 H new ATOM 0 HE2 MET A 43 -1.364 -8.533 9.244 1.00 0.00 H new ATOM 0 HE3 MET A 43 -1.303 -7.929 7.571 1.00 0.00 H new ATOM 617 N SER A 44 -3.422 -3.643 10.406 1.00 0.00 N ATOM 618 CA SER A 44 -4.526 -2.828 9.912 1.00 0.00 C ATOM 619 C SER A 44 -4.283 -2.402 8.467 1.00 0.00 C ATOM 620 O SER A 44 -3.159 -2.467 7.970 1.00 0.00 O ATOM 621 CB SER A 44 -4.712 -1.593 10.795 1.00 0.00 C ATOM 622 OG SER A 44 -5.981 -0.999 10.582 1.00 0.00 O ATOM 0 H SER A 44 -2.496 -3.292 10.161 1.00 0.00 H new ATOM 0 HA SER A 44 -5.433 -3.431 9.947 1.00 0.00 H new ATOM 0 HB2 SER A 44 -4.610 -1.873 11.843 1.00 0.00 H new ATOM 0 HB3 SER A 44 -3.927 -0.868 10.581 1.00 0.00 H new ATOM 0 HG SER A 44 -6.353 -0.706 11.440 1.00 0.00 H new ATOM 628 N ALA A 45 -5.346 -1.967 7.798 1.00 0.00 N ATOM 629 CA ALA A 45 -5.249 -1.528 6.412 1.00 0.00 C ATOM 630 C ALA A 45 -6.294 -0.463 6.098 1.00 0.00 C ATOM 631 O ALA A 45 -7.492 -0.681 6.282 1.00 0.00 O ATOM 632 CB ALA A 45 -5.403 -2.714 5.471 1.00 0.00 C ATOM 0 H ALA A 45 -6.284 -1.909 8.194 1.00 0.00 H new ATOM 0 HA ALA A 45 -4.263 -1.086 6.265 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.328 -2.372 4.439 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -4.616 -3.441 5.670 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -6.375 -3.180 5.629 1.00 0.00 H new ATOM 638 N HIS A 46 -5.833 0.691 5.625 1.00 0.00 N ATOM 639 CA HIS A 46 -6.729 1.791 5.287 1.00 0.00 C ATOM 640 C HIS A 46 -6.243 2.523 4.040 1.00 0.00 C ATOM 641 O HIS A 46 -5.087 2.940 3.963 1.00 0.00 O ATOM 642 CB HIS A 46 -6.836 2.769 6.457 1.00 0.00 C ATOM 643 CG HIS A 46 -7.549 2.204 7.647 1.00 0.00 C ATOM 644 ND1 HIS A 46 -8.867 2.166 7.952 1.00 0.00 N flip ATOM 645 CD2 HIS A 46 -6.897 1.588 8.693 1.00 0.00 C flip ATOM 646 CE1 HIS A 46 -8.986 1.533 9.165 1.00 0.00 C flip ATOM 647 NE2 HIS A 46 -7.782 1.193 9.591 1.00 0.00 N flip ATOM 0 H HIS A 46 -4.845 0.888 5.467 1.00 0.00 H new ATOM 0 HA HIS A 46 -7.715 1.374 5.082 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -5.834 3.076 6.756 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -7.358 3.666 6.123 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -5.828 1.450 8.767 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -9.913 1.344 9.686 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -7.572 0.709 10.464 1.00 0.00 H new ATOM 655 N VAL A 47 -7.133 2.676 3.064 1.00 0.00 N ATOM 656 CA VAL A 47 -6.795 3.358 1.821 1.00 0.00 C ATOM 657 C VAL A 47 -7.062 4.855 1.925 1.00 0.00 C ATOM 658 O VAL A 47 -8.207 5.285 2.067 1.00 0.00 O ATOM 659 CB VAL A 47 -7.592 2.787 0.633 1.00 0.00 C ATOM 660 CG1 VAL A 47 -7.332 3.600 -0.626 1.00 0.00 C ATOM 661 CG2 VAL A 47 -7.244 1.323 0.413 1.00 0.00 C ATOM 0 H VAL A 47 -8.094 2.336 3.111 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.731 3.193 1.649 1.00 0.00 H new ATOM 0 HB VAL A 47 -8.655 2.854 0.866 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -7.904 3.181 -1.454 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -7.636 4.634 -0.461 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -6.269 3.569 -0.866 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -7.816 0.936 -0.430 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.179 1.230 0.202 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -7.487 0.752 1.309 1.00 0.00 H new ATOM 671 N THR A 48 -5.996 5.647 1.853 1.00 0.00 N ATOM 672 CA THR A 48 -6.115 7.097 1.940 1.00 0.00 C ATOM 673 C THR A 48 -6.325 7.715 0.563 1.00 0.00 C ATOM 674 O THR A 48 -5.857 7.184 -0.444 1.00 0.00 O ATOM 675 CB THR A 48 -4.865 7.725 2.587 1.00 0.00 C ATOM 676 OG1 THR A 48 -4.386 6.885 3.643 1.00 0.00 O ATOM 677 CG2 THR A 48 -5.178 9.109 3.135 1.00 0.00 C ATOM 0 H THR A 48 -5.041 5.308 1.735 1.00 0.00 H new ATOM 0 HA THR A 48 -6.983 7.306 2.565 1.00 0.00 H new ATOM 0 HB THR A 48 -4.095 7.820 1.822 1.00 0.00 H new ATOM 0 HG1 THR A 48 -3.591 7.290 4.048 1.00 0.00 H new ATOM 0 HG21 THR A 48 -4.281 9.533 3.587 1.00 0.00 H new ATOM 0 HG22 THR A 48 -5.515 9.754 2.323 1.00 0.00 H new ATOM 0 HG23 THR A 48 -5.963 9.033 3.888 1.00 0.00 H new ATOM 685 N SER A 49 -7.030 8.841 0.526 1.00 0.00 N ATOM 686 CA SER A 49 -7.304 9.531 -0.730 1.00 0.00 C ATOM 687 C SER A 49 -6.468 10.802 -0.845 1.00 0.00 C ATOM 688 O SER A 49 -6.046 11.390 0.150 1.00 0.00 O ATOM 689 CB SER A 49 -8.791 9.874 -0.833 1.00 0.00 C ATOM 690 OG SER A 49 -9.061 11.148 -0.275 1.00 0.00 O ATOM 0 H SER A 49 -7.422 9.295 1.351 1.00 0.00 H new ATOM 0 HA SER A 49 -7.034 8.864 -1.549 1.00 0.00 H new ATOM 0 HB2 SER A 49 -9.099 9.859 -1.878 1.00 0.00 H new ATOM 0 HB3 SER A 49 -9.379 9.115 -0.316 1.00 0.00 H new ATOM 0 HG SER A 49 -9.538 11.698 -0.931 1.00 0.00 H new ATOM 696 N PRO A 50 -6.223 11.236 -2.091 1.00 0.00 N ATOM 697 CA PRO A 50 -5.436 12.441 -2.368 1.00 0.00 C ATOM 698 C PRO A 50 -6.167 13.716 -1.962 1.00 0.00 C ATOM 699 O PRO A 50 -5.597 14.807 -1.995 1.00 0.00 O ATOM 700 CB PRO A 50 -5.241 12.396 -3.886 1.00 0.00 C ATOM 701 CG PRO A 50 -6.393 11.598 -4.392 1.00 0.00 C ATOM 702 CD PRO A 50 -6.695 10.584 -3.324 1.00 0.00 C ATOM 0 HA PRO A 50 -4.503 12.457 -1.805 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -5.235 13.398 -4.314 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -4.291 11.931 -4.150 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -7.257 12.236 -4.580 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -6.146 11.110 -5.335 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.760 10.356 -3.276 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -6.176 9.643 -3.505 1.00 0.00 H new ATOM 710 N SER A 51 -7.431 13.572 -1.578 1.00 0.00 N ATOM 711 CA SER A 51 -8.241 14.713 -1.169 1.00 0.00 C ATOM 712 C SER A 51 -8.207 14.888 0.346 1.00 0.00 C ATOM 713 O SER A 51 -8.287 16.005 0.856 1.00 0.00 O ATOM 714 CB SER A 51 -9.686 14.536 -1.641 1.00 0.00 C ATOM 715 OG SER A 51 -10.282 13.400 -1.040 1.00 0.00 O ATOM 0 H SER A 51 -7.917 12.676 -1.542 1.00 0.00 H new ATOM 0 HA SER A 51 -7.823 15.608 -1.630 1.00 0.00 H new ATOM 0 HB2 SER A 51 -10.264 15.427 -1.395 1.00 0.00 H new ATOM 0 HB3 SER A 51 -9.708 14.431 -2.726 1.00 0.00 H new ATOM 0 HG SER A 51 -10.687 12.838 -1.733 1.00 0.00 H new ATOM 721 N GLY A 52 -8.086 13.774 1.062 1.00 0.00 N ATOM 722 CA GLY A 52 -8.043 13.824 2.512 1.00 0.00 C ATOM 723 C GLY A 52 -9.041 12.881 3.154 1.00 0.00 C ATOM 724 O GLY A 52 -9.452 13.086 4.297 1.00 0.00 O ATOM 0 H GLY A 52 -8.017 12.838 0.664 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.039 13.571 2.852 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.245 14.843 2.844 1.00 0.00 H new ATOM 728 N ARG A 53 -9.433 11.846 2.419 1.00 0.00 N ATOM 729 CA ARG A 53 -10.390 10.869 2.923 1.00 0.00 C ATOM 730 C ARG A 53 -9.707 9.536 3.211 1.00 0.00 C ATOM 731 O ARG A 53 -8.765 9.146 2.519 1.00 0.00 O ATOM 732 CB ARG A 53 -11.523 10.667 1.915 1.00 0.00 C ATOM 733 CG ARG A 53 -12.652 11.674 2.057 1.00 0.00 C ATOM 734 CD ARG A 53 -13.712 11.477 0.984 1.00 0.00 C ATOM 735 NE ARG A 53 -14.737 10.522 1.396 1.00 0.00 N ATOM 736 CZ ARG A 53 -15.942 10.453 0.841 1.00 0.00 C ATOM 737 NH1 ARG A 53 -16.271 11.277 -0.143 1.00 0.00 N ATOM 738 NH2 ARG A 53 -16.821 9.556 1.271 1.00 0.00 N ATOM 0 H ARG A 53 -9.102 11.662 1.472 1.00 0.00 H new ATOM 0 HA ARG A 53 -10.806 11.252 3.855 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -11.116 10.731 0.906 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -11.927 9.662 2.033 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -13.107 11.575 3.042 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -12.250 12.685 1.992 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -14.180 12.435 0.756 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -13.239 11.127 0.067 1.00 0.00 H new ATOM 0 HE ARG A 53 -14.516 9.873 2.151 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -15.598 11.967 -0.477 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -17.197 11.221 -0.567 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -16.571 8.919 2.028 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -17.746 9.503 0.845 1.00 0.00 H new ATOM 752 N VAL A 54 -10.187 8.840 4.237 1.00 0.00 N ATOM 753 CA VAL A 54 -9.623 7.550 4.616 1.00 0.00 C ATOM 754 C VAL A 54 -10.665 6.442 4.511 1.00 0.00 C ATOM 755 O VAL A 54 -11.841 6.649 4.815 1.00 0.00 O ATOM 756 CB VAL A 54 -9.066 7.581 6.052 1.00 0.00 C ATOM 757 CG1 VAL A 54 -8.505 6.221 6.437 1.00 0.00 C ATOM 758 CG2 VAL A 54 -8.004 8.663 6.187 1.00 0.00 C ATOM 0 H VAL A 54 -10.965 9.148 4.820 1.00 0.00 H new ATOM 0 HA VAL A 54 -8.808 7.345 3.922 1.00 0.00 H new ATOM 0 HB VAL A 54 -9.882 7.817 6.735 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -8.116 6.263 7.454 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -9.295 5.472 6.381 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -7.701 5.952 5.752 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -7.621 8.671 7.207 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -7.187 8.460 5.494 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -8.442 9.634 5.956 1.00 0.00 H new ATOM 768 N THR A 55 -10.227 5.263 4.080 1.00 0.00 N ATOM 769 CA THR A 55 -11.122 4.122 3.934 1.00 0.00 C ATOM 770 C THR A 55 -10.592 2.909 4.690 1.00 0.00 C ATOM 771 O THR A 55 -9.424 2.867 5.073 1.00 0.00 O ATOM 772 CB THR A 55 -11.316 3.746 2.453 1.00 0.00 C ATOM 773 OG1 THR A 55 -11.662 4.909 1.694 1.00 0.00 O ATOM 774 CG2 THR A 55 -12.403 2.693 2.301 1.00 0.00 C ATOM 0 H THR A 55 -9.257 5.074 3.826 1.00 0.00 H new ATOM 0 HA THR A 55 -12.083 4.418 4.354 1.00 0.00 H new ATOM 0 HB THR A 55 -10.378 3.335 2.079 1.00 0.00 H new ATOM 0 HG1 THR A 55 -11.782 4.662 0.753 1.00 0.00 H new ATOM 0 HG21 THR A 55 -12.523 2.443 1.247 1.00 0.00 H new ATOM 0 HG22 THR A 55 -12.123 1.798 2.857 1.00 0.00 H new ATOM 0 HG23 THR A 55 -13.344 3.082 2.690 1.00 0.00 H new ATOM 782 N GLU A 56 -11.460 1.924 4.900 1.00 0.00 N ATOM 783 CA GLU A 56 -11.077 0.709 5.611 1.00 0.00 C ATOM 784 C GLU A 56 -10.996 -0.478 4.655 1.00 0.00 C ATOM 785 O GLU A 56 -11.851 -0.649 3.787 1.00 0.00 O ATOM 786 CB GLU A 56 -12.078 0.409 6.729 1.00 0.00 C ATOM 787 CG GLU A 56 -11.727 -0.823 7.546 1.00 0.00 C ATOM 788 CD GLU A 56 -12.565 -0.947 8.804 1.00 0.00 C ATOM 789 OE1 GLU A 56 -13.809 -0.930 8.692 1.00 0.00 O ATOM 790 OE2 GLU A 56 -11.977 -1.060 9.900 1.00 0.00 O ATOM 0 H GLU A 56 -12.431 1.943 4.589 1.00 0.00 H new ATOM 0 HA GLU A 56 -10.092 0.870 6.048 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -12.136 1.271 7.394 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -13.068 0.275 6.293 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -11.866 -1.713 6.932 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -10.672 -0.785 7.819 1.00 0.00 H new ATOM 797 N ALA A 57 -9.960 -1.294 4.822 1.00 0.00 N ATOM 798 CA ALA A 57 -9.766 -2.465 3.976 1.00 0.00 C ATOM 799 C ALA A 57 -9.934 -3.753 4.774 1.00 0.00 C ATOM 800 O ALA A 57 -9.827 -3.752 6.000 1.00 0.00 O ATOM 801 CB ALA A 57 -8.393 -2.422 3.322 1.00 0.00 C ATOM 0 H ALA A 57 -9.242 -1.165 5.535 1.00 0.00 H new ATOM 0 HA ALA A 57 -10.528 -2.450 3.197 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -8.262 -3.303 2.693 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -8.309 -1.524 2.710 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -7.623 -2.409 4.093 1.00 0.00 H new ATOM 807 N GLU A 58 -10.199 -4.850 4.071 1.00 0.00 N ATOM 808 CA GLU A 58 -10.384 -6.144 4.717 1.00 0.00 C ATOM 809 C GLU A 58 -9.244 -7.096 4.363 1.00 0.00 C ATOM 810 O GLU A 58 -8.849 -7.202 3.202 1.00 0.00 O ATOM 811 CB GLU A 58 -11.723 -6.759 4.304 1.00 0.00 C ATOM 812 CG GLU A 58 -11.990 -8.115 4.935 1.00 0.00 C ATOM 813 CD GLU A 58 -13.398 -8.613 4.672 1.00 0.00 C ATOM 814 OE1 GLU A 58 -14.346 -8.049 5.258 1.00 0.00 O ATOM 815 OE2 GLU A 58 -13.553 -9.566 3.880 1.00 0.00 O ATOM 0 H GLU A 58 -10.290 -4.868 3.055 1.00 0.00 H new ATOM 0 HA GLU A 58 -10.382 -5.987 5.796 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -12.527 -6.076 4.578 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -11.747 -6.861 3.219 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -11.274 -8.839 4.547 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -11.827 -8.050 6.011 1.00 0.00 H new ATOM 822 N ILE A 59 -8.721 -7.784 5.372 1.00 0.00 N ATOM 823 CA ILE A 59 -7.628 -8.726 5.168 1.00 0.00 C ATOM 824 C ILE A 59 -8.137 -10.164 5.157 1.00 0.00 C ATOM 825 O ILE A 59 -8.765 -10.619 6.113 1.00 0.00 O ATOM 826 CB ILE A 59 -6.551 -8.583 6.259 1.00 0.00 C ATOM 827 CG1 ILE A 59 -6.133 -7.118 6.405 1.00 0.00 C ATOM 828 CG2 ILE A 59 -5.346 -9.453 5.931 1.00 0.00 C ATOM 829 CD1 ILE A 59 -5.555 -6.787 7.763 1.00 0.00 C ATOM 0 H ILE A 59 -9.037 -7.707 6.339 1.00 0.00 H new ATOM 0 HA ILE A 59 -7.186 -8.492 4.200 1.00 0.00 H new ATOM 0 HB ILE A 59 -6.969 -8.918 7.208 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -5.396 -6.881 5.638 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.999 -6.482 6.223 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -4.593 -9.341 6.711 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -5.656 -10.496 5.872 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -4.925 -9.145 4.974 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -5.281 -5.732 7.795 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.297 -6.992 8.534 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.670 -7.397 7.940 1.00 0.00 H new ATOM 841 N VAL A 60 -7.859 -10.876 4.070 1.00 0.00 N ATOM 842 CA VAL A 60 -8.285 -12.263 3.935 1.00 0.00 C ATOM 843 C VAL A 60 -7.131 -13.222 4.205 1.00 0.00 C ATOM 844 O VAL A 60 -6.007 -13.025 3.743 1.00 0.00 O ATOM 845 CB VAL A 60 -8.852 -12.543 2.530 1.00 0.00 C ATOM 846 CG1 VAL A 60 -9.627 -13.851 2.516 1.00 0.00 C ATOM 847 CG2 VAL A 60 -9.730 -11.388 2.071 1.00 0.00 C ATOM 0 H VAL A 60 -7.340 -10.515 3.270 1.00 0.00 H new ATOM 0 HA VAL A 60 -9.069 -12.425 4.674 1.00 0.00 H new ATOM 0 HB VAL A 60 -8.019 -12.636 1.833 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -10.019 -14.031 1.515 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -8.965 -14.669 2.799 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -10.453 -13.792 3.224 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -10.122 -11.602 1.077 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -10.558 -11.261 2.768 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -9.139 -10.472 2.039 1.00 0.00 H new ATOM 857 N PRO A 61 -7.413 -14.286 4.971 1.00 0.00 N ATOM 858 CA PRO A 61 -6.411 -15.298 5.319 1.00 0.00 C ATOM 859 C PRO A 61 -6.002 -16.146 4.120 1.00 0.00 C ATOM 860 O PRO A 61 -6.553 -17.223 3.893 1.00 0.00 O ATOM 861 CB PRO A 61 -7.125 -16.159 6.365 1.00 0.00 C ATOM 862 CG PRO A 61 -8.575 -15.989 6.069 1.00 0.00 C ATOM 863 CD PRO A 61 -8.731 -14.584 5.555 1.00 0.00 C ATOM 0 HA PRO A 61 -5.485 -14.848 5.677 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -6.825 -17.204 6.289 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -6.886 -15.832 7.377 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -8.910 -16.715 5.328 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -9.177 -16.146 6.964 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -9.525 -14.514 4.812 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -8.982 -13.889 6.356 1.00 0.00 H new ATOM 871 N MET A 62 -5.033 -15.654 3.356 1.00 0.00 N ATOM 872 CA MET A 62 -4.549 -16.369 2.180 1.00 0.00 C ATOM 873 C MET A 62 -4.088 -17.775 2.550 1.00 0.00 C ATOM 874 O MET A 62 -4.685 -18.765 2.129 1.00 0.00 O ATOM 875 CB MET A 62 -3.401 -15.599 1.525 1.00 0.00 C ATOM 876 CG MET A 62 -3.866 -14.512 0.569 1.00 0.00 C ATOM 877 SD MET A 62 -4.335 -15.161 -1.046 1.00 0.00 S ATOM 878 CE MET A 62 -6.117 -15.225 -0.880 1.00 0.00 C ATOM 0 H MET A 62 -4.567 -14.763 3.530 1.00 0.00 H new ATOM 0 HA MET A 62 -5.373 -16.451 1.471 1.00 0.00 H new ATOM 0 HB2 MET A 62 -2.786 -15.148 2.304 1.00 0.00 H new ATOM 0 HB3 MET A 62 -2.766 -16.300 0.984 1.00 0.00 H new ATOM 0 HG2 MET A 62 -4.716 -13.988 1.006 1.00 0.00 H new ATOM 0 HG3 MET A 62 -3.069 -13.778 0.444 1.00 0.00 H new ATOM 0 HE1 MET A 62 -6.428 -16.252 -0.688 1.00 0.00 H new ATOM 0 HE2 MET A 62 -6.428 -14.590 -0.050 1.00 0.00 H new ATOM 0 HE3 MET A 62 -6.581 -14.872 -1.801 1.00 0.00 H new ATOM 888 N GLY A 63 -3.022 -17.855 3.341 1.00 0.00 N ATOM 889 CA GLY A 63 -2.500 -19.144 3.753 1.00 0.00 C ATOM 890 C GLY A 63 -1.228 -19.020 4.569 1.00 0.00 C ATOM 891 O GLY A 63 -1.120 -18.154 5.437 1.00 0.00 O ATOM 0 H GLY A 63 -2.511 -17.050 3.703 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.255 -19.668 4.340 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.304 -19.752 2.870 1.00 0.00 H new ATOM 895 N LYS A 64 -0.262 -19.890 4.292 1.00 0.00 N ATOM 896 CA LYS A 64 1.009 -19.875 5.007 1.00 0.00 C ATOM 897 C LYS A 64 1.705 -18.527 4.851 1.00 0.00 C ATOM 898 O LYS A 64 2.219 -18.204 3.781 1.00 0.00 O ATOM 899 CB LYS A 64 1.918 -20.994 4.493 1.00 0.00 C ATOM 900 CG LYS A 64 2.952 -21.451 5.508 1.00 0.00 C ATOM 901 CD LYS A 64 4.112 -22.167 4.838 1.00 0.00 C ATOM 902 CE LYS A 64 5.148 -22.623 5.855 1.00 0.00 C ATOM 903 NZ LYS A 64 4.696 -23.828 6.604 1.00 0.00 N ATOM 0 H LYS A 64 -0.335 -20.614 3.577 1.00 0.00 H new ATOM 0 HA LYS A 64 0.805 -20.037 6.065 1.00 0.00 H new ATOM 0 HB2 LYS A 64 1.303 -21.846 4.204 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.430 -20.651 3.594 1.00 0.00 H new ATOM 0 HG2 LYS A 64 3.326 -20.589 6.061 1.00 0.00 H new ATOM 0 HG3 LYS A 64 2.483 -22.116 6.233 1.00 0.00 H new ATOM 0 HD2 LYS A 64 3.739 -23.029 4.286 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.581 -21.502 4.112 1.00 0.00 H new ATOM 0 HE2 LYS A 64 6.086 -22.843 5.345 1.00 0.00 H new ATOM 0 HE3 LYS A 64 5.349 -21.813 6.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 5.429 -24.107 7.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 3.815 -23.611 7.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 4.528 -24.608 5.937 1.00 0.00 H new ATOM 917 N ASN A 65 1.720 -17.746 5.926 1.00 0.00 N ATOM 918 CA ASN A 65 2.354 -16.433 5.908 1.00 0.00 C ATOM 919 C ASN A 65 1.931 -15.641 4.674 1.00 0.00 C ATOM 920 O ASN A 65 2.760 -15.025 4.005 1.00 0.00 O ATOM 921 CB ASN A 65 3.877 -16.579 5.936 1.00 0.00 C ATOM 922 CG ASN A 65 4.347 -17.522 7.027 1.00 0.00 C ATOM 923 OD1 ASN A 65 3.982 -18.697 7.048 1.00 0.00 O ATOM 924 ND2 ASN A 65 5.162 -17.008 7.942 1.00 0.00 N ATOM 0 H ASN A 65 1.300 -18.000 6.820 1.00 0.00 H new ATOM 0 HA ASN A 65 2.031 -15.889 6.796 1.00 0.00 H new ATOM 0 HB2 ASN A 65 4.222 -16.945 4.969 1.00 0.00 H new ATOM 0 HB3 ASN A 65 4.331 -15.599 6.086 1.00 0.00 H new ATOM 0 HD21 ASN A 65 5.511 -17.594 8.701 1.00 0.00 H new ATOM 0 HD22 ASN A 65 5.439 -16.028 7.885 1.00 0.00 H new ATOM 931 N SER A 66 0.635 -15.662 4.380 1.00 0.00 N ATOM 932 CA SER A 66 0.102 -14.949 3.226 1.00 0.00 C ATOM 933 C SER A 66 -1.121 -14.123 3.614 1.00 0.00 C ATOM 934 O SER A 66 -1.869 -14.490 4.521 1.00 0.00 O ATOM 935 CB SER A 66 -0.266 -15.935 2.116 1.00 0.00 C ATOM 936 OG SER A 66 0.890 -16.557 1.582 1.00 0.00 O ATOM 0 H SER A 66 -0.065 -16.165 4.925 1.00 0.00 H new ATOM 0 HA SER A 66 0.874 -14.272 2.860 1.00 0.00 H new ATOM 0 HB2 SER A 66 -0.942 -16.694 2.509 1.00 0.00 H new ATOM 0 HB3 SER A 66 -0.800 -15.412 1.323 1.00 0.00 H new ATOM 0 HG SER A 66 1.319 -17.101 2.275 1.00 0.00 H new ATOM 942 N HIS A 67 -1.318 -13.006 2.921 1.00 0.00 N ATOM 943 CA HIS A 67 -2.451 -12.128 3.192 1.00 0.00 C ATOM 944 C HIS A 67 -2.873 -11.380 1.931 1.00 0.00 C ATOM 945 O HIS A 67 -2.031 -10.898 1.173 1.00 0.00 O ATOM 946 CB HIS A 67 -2.097 -11.131 4.296 1.00 0.00 C ATOM 947 CG HIS A 67 -1.909 -11.766 5.639 1.00 0.00 C ATOM 948 ND1 HIS A 67 -0.823 -12.349 6.198 1.00 0.00 N flip ATOM 949 CD2 HIS A 67 -2.914 -11.851 6.578 1.00 0.00 C flip ATOM 950 CE1 HIS A 67 -1.188 -12.771 7.453 1.00 0.00 C flip ATOM 951 NE2 HIS A 67 -2.455 -12.459 7.658 1.00 0.00 N flip ATOM 0 H HIS A 67 -0.708 -12.687 2.168 1.00 0.00 H new ATOM 0 HA HIS A 67 -3.286 -12.745 3.523 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -1.182 -10.606 4.020 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -2.886 -10.382 4.365 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -3.920 -11.479 6.451 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -0.544 -13.276 8.158 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -2.988 -12.654 8.505 1.00 0.00 H new ATOM 959 N CYS A 68 -4.180 -11.290 1.712 1.00 0.00 N ATOM 960 CA CYS A 68 -4.713 -10.602 0.542 1.00 0.00 C ATOM 961 C CYS A 68 -5.703 -9.517 0.953 1.00 0.00 C ATOM 962 O CYS A 68 -6.505 -9.708 1.867 1.00 0.00 O ATOM 963 CB CYS A 68 -5.393 -11.601 -0.396 1.00 0.00 C ATOM 964 SG CYS A 68 -5.659 -10.977 -2.072 1.00 0.00 S ATOM 0 H CYS A 68 -4.890 -11.685 2.329 1.00 0.00 H new ATOM 0 HA CYS A 68 -3.882 -10.130 0.018 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -4.786 -12.505 -0.448 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -6.354 -11.887 0.031 1.00 0.00 H new ATOM 0 HG CYS A 68 -6.237 -11.894 -2.790 1.00 0.00 H new ATOM 970 N VAL A 69 -5.641 -8.377 0.272 1.00 0.00 N ATOM 971 CA VAL A 69 -6.531 -7.261 0.566 1.00 0.00 C ATOM 972 C VAL A 69 -7.419 -6.936 -0.630 1.00 0.00 C ATOM 973 O VAL A 69 -6.927 -6.614 -1.712 1.00 0.00 O ATOM 974 CB VAL A 69 -5.739 -6.000 0.961 1.00 0.00 C ATOM 975 CG1 VAL A 69 -6.655 -4.978 1.618 1.00 0.00 C ATOM 976 CG2 VAL A 69 -4.585 -6.364 1.883 1.00 0.00 C ATOM 0 H VAL A 69 -4.983 -8.202 -0.488 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.155 -7.567 1.406 1.00 0.00 H new ATOM 0 HB VAL A 69 -5.325 -5.553 0.057 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.078 -4.094 1.890 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.444 -4.696 0.921 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.100 -5.411 2.514 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.036 -5.462 2.152 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -4.975 -6.835 2.786 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.916 -7.057 1.373 1.00 0.00 H new ATOM 986 N ARG A 70 -8.730 -7.022 -0.428 1.00 0.00 N ATOM 987 CA ARG A 70 -9.687 -6.738 -1.490 1.00 0.00 C ATOM 988 C ARG A 70 -10.466 -5.461 -1.192 1.00 0.00 C ATOM 989 O ARG A 70 -11.151 -5.362 -0.173 1.00 0.00 O ATOM 990 CB ARG A 70 -10.654 -7.911 -1.661 1.00 0.00 C ATOM 991 CG ARG A 70 -11.371 -8.301 -0.378 1.00 0.00 C ATOM 992 CD ARG A 70 -12.338 -9.451 -0.609 1.00 0.00 C ATOM 993 NE ARG A 70 -11.664 -10.638 -1.129 1.00 0.00 N ATOM 994 CZ ARG A 70 -12.302 -11.741 -1.503 1.00 0.00 C ATOM 995 NH1 ARG A 70 -13.623 -11.809 -1.416 1.00 0.00 N ATOM 996 NH2 ARG A 70 -11.618 -12.780 -1.966 1.00 0.00 N ATOM 0 H ARG A 70 -9.153 -7.286 0.462 1.00 0.00 H new ATOM 0 HA ARG A 70 -9.132 -6.596 -2.417 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -11.395 -7.653 -2.417 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -10.103 -8.774 -2.036 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -10.639 -8.586 0.377 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -11.914 -7.440 0.013 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -12.837 -9.699 0.328 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -13.112 -9.138 -1.309 1.00 0.00 H new ATOM 0 HE ARG A 70 -10.647 -10.619 -1.209 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -14.152 -11.013 -1.061 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -14.110 -12.658 -1.704 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -10.601 -12.732 -2.035 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -12.109 -13.627 -2.253 1.00 0.00 H new ATOM 1010 N PHE A 71 -10.358 -4.485 -2.087 1.00 0.00 N ATOM 1011 CA PHE A 71 -11.051 -3.213 -1.919 1.00 0.00 C ATOM 1012 C PHE A 71 -11.209 -2.499 -3.259 1.00 0.00 C ATOM 1013 O PHE A 71 -10.598 -2.883 -4.256 1.00 0.00 O ATOM 1014 CB PHE A 71 -10.290 -2.318 -0.939 1.00 0.00 C ATOM 1015 CG PHE A 71 -8.856 -2.090 -1.324 1.00 0.00 C ATOM 1016 CD1 PHE A 71 -8.537 -1.301 -2.418 1.00 0.00 C ATOM 1017 CD2 PHE A 71 -7.828 -2.663 -0.593 1.00 0.00 C ATOM 1018 CE1 PHE A 71 -7.219 -1.089 -2.775 1.00 0.00 C ATOM 1019 CE2 PHE A 71 -6.508 -2.455 -0.946 1.00 0.00 C ATOM 1020 CZ PHE A 71 -6.203 -1.666 -2.038 1.00 0.00 C ATOM 0 H PHE A 71 -9.797 -4.550 -2.936 1.00 0.00 H new ATOM 0 HA PHE A 71 -12.043 -3.419 -1.517 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -10.797 -1.355 -0.870 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -10.324 -2.768 0.053 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -9.327 -0.847 -2.998 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -8.061 -3.279 0.263 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -6.983 -0.472 -3.630 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -5.716 -2.909 -0.369 1.00 0.00 H new ATOM 0 HZ PHE A 71 -5.172 -1.501 -2.315 1.00 0.00 H new ATOM 1030 N VAL A 72 -12.035 -1.457 -3.273 1.00 0.00 N ATOM 1031 CA VAL A 72 -12.274 -0.688 -4.489 1.00 0.00 C ATOM 1032 C VAL A 72 -11.528 0.641 -4.454 1.00 0.00 C ATOM 1033 O VAL A 72 -12.013 1.640 -3.923 1.00 0.00 O ATOM 1034 CB VAL A 72 -13.776 -0.416 -4.694 1.00 0.00 C ATOM 1035 CG1 VAL A 72 -14.005 0.375 -5.973 1.00 0.00 C ATOM 1036 CG2 VAL A 72 -14.555 -1.722 -4.718 1.00 0.00 C ATOM 0 H VAL A 72 -12.549 -1.126 -2.457 1.00 0.00 H new ATOM 0 HA VAL A 72 -11.904 -1.287 -5.321 1.00 0.00 H new ATOM 0 HB VAL A 72 -14.138 0.181 -3.857 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -15.072 0.558 -6.102 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -13.478 1.327 -5.911 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -13.629 -0.193 -6.824 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -15.614 -1.511 -4.864 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -14.194 -2.346 -5.535 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -14.416 -2.246 -3.772 1.00 0.00 H new ATOM 1046 N PRO A 73 -10.319 0.655 -5.035 1.00 0.00 N ATOM 1047 CA PRO A 73 -9.479 1.856 -5.085 1.00 0.00 C ATOM 1048 C PRO A 73 -10.048 2.922 -6.015 1.00 0.00 C ATOM 1049 O PRO A 73 -9.621 3.048 -7.163 1.00 0.00 O ATOM 1050 CB PRO A 73 -8.145 1.334 -5.622 1.00 0.00 C ATOM 1051 CG PRO A 73 -8.500 0.111 -6.396 1.00 0.00 C ATOM 1052 CD PRO A 73 -9.678 -0.499 -5.688 1.00 0.00 C ATOM 0 HA PRO A 73 -9.401 2.340 -4.112 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.656 2.075 -6.255 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -7.455 1.102 -4.811 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -8.751 0.361 -7.427 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -7.662 -0.585 -6.431 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -10.354 -0.993 -6.386 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -9.366 -1.249 -4.962 1.00 0.00 H new ATOM 1060 N GLN A 74 -11.011 3.688 -5.512 1.00 0.00 N ATOM 1061 CA GLN A 74 -11.637 4.743 -6.300 1.00 0.00 C ATOM 1062 C GLN A 74 -11.427 6.106 -5.647 1.00 0.00 C ATOM 1063 O GLN A 74 -11.955 6.376 -4.569 1.00 0.00 O ATOM 1064 CB GLN A 74 -13.132 4.467 -6.464 1.00 0.00 C ATOM 1065 CG GLN A 74 -13.870 4.308 -5.144 1.00 0.00 C ATOM 1066 CD GLN A 74 -15.249 3.703 -5.316 1.00 0.00 C ATOM 1067 OE1 GLN A 74 -15.885 3.864 -6.358 1.00 0.00 O ATOM 1068 NE2 GLN A 74 -15.720 3.002 -4.291 1.00 0.00 N ATOM 0 H GLN A 74 -11.374 3.598 -4.563 1.00 0.00 H new ATOM 0 HA GLN A 74 -11.168 4.755 -7.284 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -13.584 5.283 -7.027 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -13.263 3.561 -7.055 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -13.282 3.678 -4.477 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -13.962 5.282 -4.664 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -15.159 2.894 -3.446 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -16.643 2.572 -4.349 1.00 0.00 H new ATOM 1077 N GLU A 75 -10.654 6.961 -6.309 1.00 0.00 N ATOM 1078 CA GLU A 75 -10.374 8.295 -5.792 1.00 0.00 C ATOM 1079 C GLU A 75 -10.306 9.315 -6.925 1.00 0.00 C ATOM 1080 O GLU A 75 -10.499 8.975 -8.092 1.00 0.00 O ATOM 1081 CB GLU A 75 -9.060 8.298 -5.009 1.00 0.00 C ATOM 1082 CG GLU A 75 -8.983 7.217 -3.944 1.00 0.00 C ATOM 1083 CD GLU A 75 -9.852 7.523 -2.740 1.00 0.00 C ATOM 1084 OE1 GLU A 75 -10.665 8.467 -2.820 1.00 0.00 O ATOM 1085 OE2 GLU A 75 -9.720 6.818 -1.717 1.00 0.00 O ATOM 0 H GLU A 75 -10.211 6.754 -7.204 1.00 0.00 H new ATOM 0 HA GLU A 75 -11.188 8.575 -5.123 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -8.232 8.169 -5.706 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -8.931 9.272 -4.536 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.289 6.264 -4.376 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -7.948 7.103 -3.621 1.00 0.00 H new ATOM 1092 N MET A 76 -10.032 10.566 -6.572 1.00 0.00 N ATOM 1093 CA MET A 76 -9.938 11.636 -7.559 1.00 0.00 C ATOM 1094 C MET A 76 -8.483 11.913 -7.923 1.00 0.00 C ATOM 1095 O MET A 76 -8.168 12.941 -8.521 1.00 0.00 O ATOM 1096 CB MET A 76 -10.594 12.910 -7.025 1.00 0.00 C ATOM 1097 CG MET A 76 -12.111 12.831 -6.958 1.00 0.00 C ATOM 1098 SD MET A 76 -12.897 13.223 -8.533 1.00 0.00 S ATOM 1099 CE MET A 76 -14.592 13.473 -8.012 1.00 0.00 C ATOM 0 H MET A 76 -9.871 10.864 -5.610 1.00 0.00 H new ATOM 0 HA MET A 76 -10.464 11.315 -8.458 1.00 0.00 H new ATOM 0 HB2 MET A 76 -10.205 13.119 -6.028 1.00 0.00 H new ATOM 0 HB3 MET A 76 -10.310 13.749 -7.660 1.00 0.00 H new ATOM 0 HG2 MET A 76 -12.405 11.828 -6.649 1.00 0.00 H new ATOM 0 HG3 MET A 76 -12.473 13.519 -6.194 1.00 0.00 H new ATOM 0 HE1 MET A 76 -15.205 13.724 -8.877 1.00 0.00 H new ATOM 0 HE2 MET A 76 -14.970 12.560 -7.552 1.00 0.00 H new ATOM 0 HE3 MET A 76 -14.634 14.288 -7.289 1.00 0.00 H new ATOM 1109 N GLY A 77 -7.599 10.989 -7.558 1.00 0.00 N ATOM 1110 CA GLY A 77 -6.188 11.154 -7.854 1.00 0.00 C ATOM 1111 C GLY A 77 -5.389 9.894 -7.585 1.00 0.00 C ATOM 1112 O GLY A 77 -5.747 8.812 -8.049 1.00 0.00 O ATOM 0 H GLY A 77 -7.835 10.129 -7.063 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -6.070 11.439 -8.899 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -5.787 11.970 -7.253 1.00 0.00 H new ATOM 1116 N VAL A 78 -4.300 10.035 -6.835 1.00 0.00 N ATOM 1117 CA VAL A 78 -3.447 8.899 -6.506 1.00 0.00 C ATOM 1118 C VAL A 78 -3.959 8.167 -5.271 1.00 0.00 C ATOM 1119 O VAL A 78 -4.275 8.787 -4.254 1.00 0.00 O ATOM 1120 CB VAL A 78 -1.993 9.343 -6.260 1.00 0.00 C ATOM 1121 CG1 VAL A 78 -1.914 10.274 -5.059 1.00 0.00 C ATOM 1122 CG2 VAL A 78 -1.092 8.133 -6.066 1.00 0.00 C ATOM 0 H VAL A 78 -3.988 10.924 -6.444 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.474 8.224 -7.362 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.646 9.890 -7.137 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -0.879 10.577 -4.901 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.527 11.157 -5.242 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.280 9.756 -4.172 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.068 8.466 -5.893 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -1.436 7.557 -5.207 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -1.125 7.508 -6.958 1.00 0.00 H new ATOM 1132 N HIS A 79 -4.039 6.843 -5.365 1.00 0.00 N ATOM 1133 CA HIS A 79 -4.512 6.025 -4.254 1.00 0.00 C ATOM 1134 C HIS A 79 -3.344 5.534 -3.405 1.00 0.00 C ATOM 1135 O HIS A 79 -2.380 4.969 -3.923 1.00 0.00 O ATOM 1136 CB HIS A 79 -5.314 4.833 -4.777 1.00 0.00 C ATOM 1137 CG HIS A 79 -6.532 5.225 -5.556 1.00 0.00 C ATOM 1138 ND1 HIS A 79 -6.509 6.165 -6.565 1.00 0.00 N ATOM 1139 CD2 HIS A 79 -7.813 4.798 -5.471 1.00 0.00 C ATOM 1140 CE1 HIS A 79 -7.724 6.300 -7.065 1.00 0.00 C ATOM 1141 NE2 HIS A 79 -8.534 5.481 -6.419 1.00 0.00 N ATOM 0 H HIS A 79 -3.782 6.314 -6.199 1.00 0.00 H new ATOM 0 HA HIS A 79 -5.158 6.642 -3.629 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -4.670 4.222 -5.409 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -5.616 4.211 -3.934 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -5.683 6.676 -6.876 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -8.197 4.058 -4.785 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -8.007 6.967 -7.866 1.00 0.00 H new ATOM 1149 N THR A 80 -3.436 5.754 -2.097 1.00 0.00 N ATOM 1150 CA THR A 80 -2.386 5.336 -1.176 1.00 0.00 C ATOM 1151 C THR A 80 -2.942 4.429 -0.084 1.00 0.00 C ATOM 1152 O THR A 80 -4.053 4.637 0.404 1.00 0.00 O ATOM 1153 CB THR A 80 -1.699 6.548 -0.520 1.00 0.00 C ATOM 1154 OG1 THR A 80 -1.261 7.467 -1.527 1.00 0.00 O ATOM 1155 CG2 THR A 80 -0.511 6.107 0.322 1.00 0.00 C ATOM 0 H THR A 80 -4.227 6.219 -1.652 1.00 0.00 H new ATOM 0 HA THR A 80 -1.651 4.785 -1.763 1.00 0.00 H new ATOM 0 HB THR A 80 -2.423 7.039 0.130 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.827 8.236 -1.102 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.042 6.980 0.775 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.852 5.430 1.106 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.213 5.594 -0.311 1.00 0.00 H new ATOM 1163 N VAL A 81 -2.162 3.422 0.296 1.00 0.00 N ATOM 1164 CA VAL A 81 -2.576 2.484 1.333 1.00 0.00 C ATOM 1165 C VAL A 81 -1.669 2.579 2.554 1.00 0.00 C ATOM 1166 O VAL A 81 -0.446 2.639 2.429 1.00 0.00 O ATOM 1167 CB VAL A 81 -2.569 1.034 0.813 1.00 0.00 C ATOM 1168 CG1 VAL A 81 -3.603 0.197 1.551 1.00 0.00 C ATOM 1169 CG2 VAL A 81 -2.820 1.005 -0.687 1.00 0.00 C ATOM 0 H VAL A 81 -1.240 3.235 -0.099 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.593 2.755 1.618 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.586 0.603 1.002 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -3.584 -0.824 1.170 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.373 0.191 2.617 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -4.594 0.623 1.396 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -2.812 -0.027 -1.037 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -3.790 1.454 -0.902 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -2.039 1.568 -1.198 1.00 0.00 H new ATOM 1179 N SER A 82 -2.276 2.592 3.737 1.00 0.00 N ATOM 1180 CA SER A 82 -1.523 2.683 4.982 1.00 0.00 C ATOM 1181 C SER A 82 -1.636 1.388 5.781 1.00 0.00 C ATOM 1182 O SER A 82 -2.670 1.108 6.388 1.00 0.00 O ATOM 1183 CB SER A 82 -2.025 3.860 5.821 1.00 0.00 C ATOM 1184 OG SER A 82 -1.764 5.094 5.176 1.00 0.00 O ATOM 0 H SER A 82 -3.287 2.541 3.859 1.00 0.00 H new ATOM 0 HA SER A 82 -0.474 2.845 4.733 1.00 0.00 H new ATOM 0 HB2 SER A 82 -3.096 3.756 5.995 1.00 0.00 H new ATOM 0 HB3 SER A 82 -1.541 3.847 6.798 1.00 0.00 H new ATOM 0 HG SER A 82 -2.096 5.830 5.731 1.00 0.00 H new ATOM 1190 N VAL A 83 -0.565 0.601 5.776 1.00 0.00 N ATOM 1191 CA VAL A 83 -0.542 -0.663 6.501 1.00 0.00 C ATOM 1192 C VAL A 83 0.482 -0.631 7.630 1.00 0.00 C ATOM 1193 O VAL A 83 1.689 -0.649 7.390 1.00 0.00 O ATOM 1194 CB VAL A 83 -0.219 -1.842 5.563 1.00 0.00 C ATOM 1195 CG1 VAL A 83 -0.427 -3.167 6.279 1.00 0.00 C ATOM 1196 CG2 VAL A 83 -1.068 -1.768 4.303 1.00 0.00 C ATOM 0 H VAL A 83 0.298 0.817 5.278 1.00 0.00 H new ATOM 0 HA VAL A 83 -1.538 -0.805 6.922 1.00 0.00 H new ATOM 0 HB VAL A 83 0.829 -1.775 5.272 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.194 -3.988 5.601 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.229 -3.218 7.148 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -1.465 -3.247 6.602 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.827 -2.608 3.652 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.123 -1.809 4.572 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -0.863 -0.834 3.780 1.00 0.00 H new ATOM 1206 N LYS A 84 -0.008 -0.585 8.864 1.00 0.00 N ATOM 1207 CA LYS A 84 0.863 -0.552 10.033 1.00 0.00 C ATOM 1208 C LYS A 84 0.687 -1.809 10.878 1.00 0.00 C ATOM 1209 O LYS A 84 -0.335 -2.490 10.790 1.00 0.00 O ATOM 1210 CB LYS A 84 0.569 0.689 10.879 1.00 0.00 C ATOM 1211 CG LYS A 84 1.267 1.943 10.382 1.00 0.00 C ATOM 1212 CD LYS A 84 1.208 3.059 11.412 1.00 0.00 C ATOM 1213 CE LYS A 84 -0.088 3.849 11.305 1.00 0.00 C ATOM 1214 NZ LYS A 84 -1.184 3.225 12.096 1.00 0.00 N ATOM 0 H LYS A 84 -1.005 -0.570 9.081 1.00 0.00 H new ATOM 0 HA LYS A 84 1.895 -0.511 9.685 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -0.507 0.863 10.892 1.00 0.00 H new ATOM 0 HB3 LYS A 84 0.873 0.497 11.908 1.00 0.00 H new ATOM 0 HG2 LYS A 84 2.307 1.714 10.151 1.00 0.00 H new ATOM 0 HG3 LYS A 84 0.801 2.277 9.455 1.00 0.00 H new ATOM 0 HD2 LYS A 84 1.296 2.637 12.413 1.00 0.00 H new ATOM 0 HD3 LYS A 84 2.056 3.729 11.273 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.078 4.868 11.655 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -0.387 3.916 10.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -2.003 3.052 11.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -0.854 2.323 12.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -1.462 3.864 12.868 1.00 0.00 H new ATOM 1228 N TYR A 85 1.688 -2.111 11.698 1.00 0.00 N ATOM 1229 CA TYR A 85 1.643 -3.287 12.558 1.00 0.00 C ATOM 1230 C TYR A 85 1.963 -2.917 14.003 1.00 0.00 C ATOM 1231 O TYR A 85 3.128 -2.849 14.395 1.00 0.00 O ATOM 1232 CB TYR A 85 2.629 -4.346 12.061 1.00 0.00 C ATOM 1233 CG TYR A 85 2.842 -5.481 13.037 1.00 0.00 C ATOM 1234 CD1 TYR A 85 1.782 -6.000 13.770 1.00 0.00 C ATOM 1235 CD2 TYR A 85 4.102 -6.034 13.226 1.00 0.00 C ATOM 1236 CE1 TYR A 85 1.971 -7.037 14.663 1.00 0.00 C ATOM 1237 CE2 TYR A 85 4.300 -7.072 14.116 1.00 0.00 C ATOM 1238 CZ TYR A 85 3.232 -7.570 14.832 1.00 0.00 C ATOM 1239 OH TYR A 85 3.425 -8.602 15.721 1.00 0.00 O ATOM 0 H TYR A 85 2.540 -1.557 11.785 1.00 0.00 H new ATOM 0 HA TYR A 85 0.633 -3.695 12.521 1.00 0.00 H new ATOM 0 HB2 TYR A 85 2.267 -4.753 11.117 1.00 0.00 H new ATOM 0 HB3 TYR A 85 3.588 -3.870 11.856 1.00 0.00 H new ATOM 0 HD1 TYR A 85 0.793 -5.586 13.639 1.00 0.00 H new ATOM 0 HD2 TYR A 85 4.941 -5.646 12.668 1.00 0.00 H new ATOM 0 HE1 TYR A 85 1.136 -7.428 15.226 1.00 0.00 H new ATOM 0 HE2 TYR A 85 5.286 -7.491 14.250 1.00 0.00 H new ATOM 0 HH TYR A 85 4.370 -8.862 15.720 1.00 0.00 H new ATOM 1249 N ARG A 86 0.919 -2.680 14.791 1.00 0.00 N ATOM 1250 CA ARG A 86 1.087 -2.317 16.193 1.00 0.00 C ATOM 1251 C ARG A 86 1.847 -1.000 16.326 1.00 0.00 C ATOM 1252 O ARG A 86 2.690 -0.845 17.209 1.00 0.00 O ATOM 1253 CB ARG A 86 1.828 -3.424 16.944 1.00 0.00 C ATOM 1254 CG ARG A 86 0.998 -4.680 17.153 1.00 0.00 C ATOM 1255 CD ARG A 86 1.729 -5.694 18.018 1.00 0.00 C ATOM 1256 NE ARG A 86 2.079 -5.147 19.326 1.00 0.00 N ATOM 1257 CZ ARG A 86 3.179 -4.440 19.557 1.00 0.00 C ATOM 1258 NH1 ARG A 86 4.033 -4.195 18.572 1.00 0.00 N ATOM 1259 NH2 ARG A 86 3.428 -3.976 20.775 1.00 0.00 N ATOM 0 H ARG A 86 -0.052 -2.733 14.482 1.00 0.00 H new ATOM 0 HA ARG A 86 0.097 -2.191 16.631 1.00 0.00 H new ATOM 0 HB2 ARG A 86 2.732 -3.684 16.392 1.00 0.00 H new ATOM 0 HB3 ARG A 86 2.146 -3.043 17.915 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.050 -4.417 17.622 1.00 0.00 H new ATOM 0 HG3 ARG A 86 0.763 -5.127 16.187 1.00 0.00 H new ATOM 0 HD2 ARG A 86 1.103 -6.576 18.150 1.00 0.00 H new ATOM 0 HD3 ARG A 86 2.635 -6.020 17.507 1.00 0.00 H new ATOM 0 HE ARG A 86 1.443 -5.317 20.105 1.00 0.00 H new ATOM 0 HH11 ARG A 86 3.845 -4.550 17.634 1.00 0.00 H new ATOM 0 HH12 ARG A 86 4.877 -3.652 18.752 1.00 0.00 H new ATOM 0 HH21 ARG A 86 2.774 -4.162 21.535 1.00 0.00 H new ATOM 0 HH22 ARG A 86 4.273 -3.433 20.951 1.00 0.00 H new ATOM 1273 N GLY A 87 1.543 -0.055 15.442 1.00 0.00 N ATOM 1274 CA GLY A 87 2.206 1.235 15.477 1.00 0.00 C ATOM 1275 C GLY A 87 3.554 1.214 14.783 1.00 0.00 C ATOM 1276 O GLY A 87 4.559 1.639 15.352 1.00 0.00 O ATOM 0 H GLY A 87 0.849 -0.160 14.702 1.00 0.00 H new ATOM 0 HA2 GLY A 87 1.568 1.981 15.002 1.00 0.00 H new ATOM 0 HA3 GLY A 87 2.340 1.543 16.514 1.00 0.00 H new ATOM 1280 N GLN A 88 3.575 0.716 13.551 1.00 0.00 N ATOM 1281 CA GLN A 88 4.810 0.638 12.780 1.00 0.00 C ATOM 1282 C GLN A 88 4.518 0.350 11.311 1.00 0.00 C ATOM 1283 O GLN A 88 3.941 -0.684 10.973 1.00 0.00 O ATOM 1284 CB GLN A 88 5.726 -0.445 13.352 1.00 0.00 C ATOM 1285 CG GLN A 88 5.505 -1.816 12.735 1.00 0.00 C ATOM 1286 CD GLN A 88 6.223 -2.918 13.489 1.00 0.00 C ATOM 1287 OE1 GLN A 88 6.517 -2.783 14.677 1.00 0.00 O ATOM 1288 NE2 GLN A 88 6.509 -4.018 12.802 1.00 0.00 N ATOM 0 H GLN A 88 2.751 0.361 13.066 1.00 0.00 H new ATOM 0 HA GLN A 88 5.313 1.603 12.849 1.00 0.00 H new ATOM 0 HB2 GLN A 88 6.764 -0.150 13.199 1.00 0.00 H new ATOM 0 HB3 GLN A 88 5.569 -0.511 14.429 1.00 0.00 H new ATOM 0 HG2 GLN A 88 4.437 -2.032 12.713 1.00 0.00 H new ATOM 0 HG3 GLN A 88 5.849 -1.805 11.701 1.00 0.00 H new ATOM 0 HE21 GLN A 88 6.247 -4.088 11.819 1.00 0.00 H new ATOM 0 HE22 GLN A 88 6.991 -4.793 13.258 1.00 0.00 H new ATOM 1297 N HIS A 89 4.919 1.271 10.441 1.00 0.00 N ATOM 1298 CA HIS A 89 4.700 1.116 9.007 1.00 0.00 C ATOM 1299 C HIS A 89 5.550 -0.021 8.448 1.00 0.00 C ATOM 1300 O HIS A 89 6.779 0.052 8.446 1.00 0.00 O ATOM 1301 CB HIS A 89 5.025 2.419 8.276 1.00 0.00 C ATOM 1302 CG HIS A 89 3.914 3.422 8.318 1.00 0.00 C ATOM 1303 ND1 HIS A 89 3.523 4.269 9.298 1.00 0.00 N flip ATOM 1304 CD2 HIS A 89 3.055 3.639 7.261 1.00 0.00 C flip ATOM 1305 CE1 HIS A 89 2.446 4.976 8.821 1.00 0.00 C flip ATOM 1306 NE2 HIS A 89 2.185 4.577 7.589 1.00 0.00 N flip ATOM 0 H HIS A 89 5.397 2.133 10.704 1.00 0.00 H new ATOM 0 HA HIS A 89 3.649 0.872 8.849 1.00 0.00 H new ATOM 0 HB2 HIS A 89 5.919 2.860 8.717 1.00 0.00 H new ATOM 0 HB3 HIS A 89 5.261 2.194 7.236 1.00 0.00 H new ATOM 0 HD2 HIS A 89 3.089 3.123 6.313 1.00 0.00 H new ATOM 0 HE1 HIS A 89 1.902 5.734 9.364 1.00 0.00 H new ATOM 0 HE2 HIS A 89 1.438 4.933 6.992 1.00 0.00 H new ATOM 1314 N VAL A 90 4.888 -1.072 7.975 1.00 0.00 N ATOM 1315 CA VAL A 90 5.582 -2.224 7.413 1.00 0.00 C ATOM 1316 C VAL A 90 6.528 -1.803 6.294 1.00 0.00 C ATOM 1317 O VAL A 90 6.635 -0.620 5.967 1.00 0.00 O ATOM 1318 CB VAL A 90 4.589 -3.266 6.866 1.00 0.00 C ATOM 1319 CG1 VAL A 90 3.656 -3.745 7.967 1.00 0.00 C ATOM 1320 CG2 VAL A 90 3.800 -2.688 5.700 1.00 0.00 C ATOM 0 H VAL A 90 3.871 -1.149 7.970 1.00 0.00 H new ATOM 0 HA VAL A 90 6.158 -2.672 8.223 1.00 0.00 H new ATOM 0 HB VAL A 90 5.153 -4.125 6.503 1.00 0.00 H new ATOM 0 HG11 VAL A 90 2.962 -4.481 7.561 1.00 0.00 H new ATOM 0 HG12 VAL A 90 4.240 -4.200 8.767 1.00 0.00 H new ATOM 0 HG13 VAL A 90 3.096 -2.898 8.364 1.00 0.00 H new ATOM 0 HG21 VAL A 90 3.103 -3.437 5.325 1.00 0.00 H new ATOM 0 HG22 VAL A 90 3.245 -1.812 6.035 1.00 0.00 H new ATOM 0 HG23 VAL A 90 4.486 -2.400 4.903 1.00 0.00 H new ATOM 1330 N THR A 91 7.214 -2.779 5.708 1.00 0.00 N ATOM 1331 CA THR A 91 8.153 -2.511 4.625 1.00 0.00 C ATOM 1332 C THR A 91 7.420 -2.120 3.347 1.00 0.00 C ATOM 1333 O THR A 91 6.618 -2.889 2.819 1.00 0.00 O ATOM 1334 CB THR A 91 9.044 -3.734 4.339 1.00 0.00 C ATOM 1335 OG1 THR A 91 9.577 -4.250 5.564 1.00 0.00 O ATOM 1336 CG2 THR A 91 10.183 -3.365 3.400 1.00 0.00 C ATOM 0 H THR A 91 7.137 -3.763 5.965 1.00 0.00 H new ATOM 0 HA THR A 91 8.781 -1.681 4.949 1.00 0.00 H new ATOM 0 HB THR A 91 8.432 -4.498 3.860 1.00 0.00 H new ATOM 0 HG1 THR A 91 10.141 -5.028 5.373 1.00 0.00 H new ATOM 0 HG21 THR A 91 10.799 -4.244 3.212 1.00 0.00 H new ATOM 0 HG22 THR A 91 9.774 -3.000 2.458 1.00 0.00 H new ATOM 0 HG23 THR A 91 10.793 -2.585 3.857 1.00 0.00 H new ATOM 1344 N GLY A 92 7.702 -0.918 2.853 1.00 0.00 N ATOM 1345 CA GLY A 92 7.061 -0.446 1.639 1.00 0.00 C ATOM 1346 C GLY A 92 5.808 0.359 1.921 1.00 0.00 C ATOM 1347 O GLY A 92 5.039 0.662 1.009 1.00 0.00 O ATOM 0 H GLY A 92 8.362 -0.263 3.272 1.00 0.00 H new ATOM 0 HA2 GLY A 92 7.764 0.167 1.075 1.00 0.00 H new ATOM 0 HA3 GLY A 92 6.807 -1.299 1.010 1.00 0.00 H new ATOM 1351 N SER A 93 5.601 0.705 3.187 1.00 0.00 N ATOM 1352 CA SER A 93 4.429 1.475 3.587 1.00 0.00 C ATOM 1353 C SER A 93 4.818 2.902 3.962 1.00 0.00 C ATOM 1354 O SER A 93 5.868 3.151 4.554 1.00 0.00 O ATOM 1355 CB SER A 93 3.727 0.800 4.767 1.00 0.00 C ATOM 1356 OG SER A 93 2.331 1.042 4.737 1.00 0.00 O ATOM 0 H SER A 93 6.229 0.464 3.954 1.00 0.00 H new ATOM 0 HA SER A 93 3.745 1.514 2.740 1.00 0.00 H new ATOM 0 HB2 SER A 93 3.914 -0.274 4.739 1.00 0.00 H new ATOM 0 HB3 SER A 93 4.144 1.172 5.703 1.00 0.00 H new ATOM 0 HG SER A 93 1.907 0.431 4.099 1.00 0.00 H new ATOM 1362 N PRO A 94 3.952 3.863 3.608 1.00 0.00 N ATOM 1363 CA PRO A 94 2.699 3.579 2.902 1.00 0.00 C ATOM 1364 C PRO A 94 2.933 3.125 1.465 1.00 0.00 C ATOM 1365 O PRO A 94 4.052 3.197 0.955 1.00 0.00 O ATOM 1366 CB PRO A 94 1.966 4.922 2.925 1.00 0.00 C ATOM 1367 CG PRO A 94 3.045 5.941 3.046 1.00 0.00 C ATOM 1368 CD PRO A 94 4.129 5.301 3.869 1.00 0.00 C ATOM 0 HA PRO A 94 2.143 2.766 3.370 1.00 0.00 H new ATOM 0 HB2 PRO A 94 1.382 5.070 2.016 1.00 0.00 H new ATOM 0 HB3 PRO A 94 1.271 4.980 3.763 1.00 0.00 H new ATOM 0 HG2 PRO A 94 3.420 6.231 2.064 1.00 0.00 H new ATOM 0 HG3 PRO A 94 2.674 6.847 3.526 1.00 0.00 H new ATOM 0 HD2 PRO A 94 5.118 5.645 3.568 1.00 0.00 H new ATOM 0 HD3 PRO A 94 4.020 5.534 4.928 1.00 0.00 H new ATOM 1376 N PHE A 95 1.872 2.658 0.816 1.00 0.00 N ATOM 1377 CA PHE A 95 1.963 2.192 -0.563 1.00 0.00 C ATOM 1378 C PHE A 95 1.236 3.145 -1.508 1.00 0.00 C ATOM 1379 O PHE A 95 0.033 3.367 -1.376 1.00 0.00 O ATOM 1380 CB PHE A 95 1.375 0.785 -0.687 1.00 0.00 C ATOM 1381 CG PHE A 95 1.993 -0.209 0.254 1.00 0.00 C ATOM 1382 CD1 PHE A 95 3.184 -0.840 -0.067 1.00 0.00 C ATOM 1383 CD2 PHE A 95 1.383 -0.512 1.461 1.00 0.00 C ATOM 1384 CE1 PHE A 95 3.756 -1.754 0.797 1.00 0.00 C ATOM 1385 CE2 PHE A 95 1.951 -1.425 2.329 1.00 0.00 C ATOM 1386 CZ PHE A 95 3.138 -2.048 1.997 1.00 0.00 C ATOM 0 H PHE A 95 0.939 2.592 1.223 1.00 0.00 H new ATOM 0 HA PHE A 95 3.016 2.164 -0.843 1.00 0.00 H new ATOM 0 HB2 PHE A 95 0.302 0.831 -0.501 1.00 0.00 H new ATOM 0 HB3 PHE A 95 1.506 0.434 -1.711 1.00 0.00 H new ATOM 0 HD1 PHE A 95 3.671 -0.615 -1.004 1.00 0.00 H new ATOM 0 HD2 PHE A 95 0.454 -0.029 1.726 1.00 0.00 H new ATOM 0 HE1 PHE A 95 4.685 -2.238 0.535 1.00 0.00 H new ATOM 0 HE2 PHE A 95 1.467 -1.651 3.267 1.00 0.00 H new ATOM 0 HZ PHE A 95 3.582 -2.763 2.674 1.00 0.00 H new ATOM 1396 N GLN A 96 1.976 3.703 -2.460 1.00 0.00 N ATOM 1397 CA GLN A 96 1.402 4.632 -3.426 1.00 0.00 C ATOM 1398 C GLN A 96 1.353 4.009 -4.817 1.00 0.00 C ATOM 1399 O GLN A 96 2.358 3.508 -5.321 1.00 0.00 O ATOM 1400 CB GLN A 96 2.215 5.928 -3.463 1.00 0.00 C ATOM 1401 CG GLN A 96 1.738 6.974 -2.468 1.00 0.00 C ATOM 1402 CD GLN A 96 2.574 8.238 -2.505 1.00 0.00 C ATOM 1403 OE1 GLN A 96 3.804 8.183 -2.496 1.00 0.00 O ATOM 1404 NE2 GLN A 96 1.909 9.386 -2.546 1.00 0.00 N ATOM 0 H GLN A 96 2.973 3.528 -2.583 1.00 0.00 H new ATOM 0 HA GLN A 96 0.383 4.859 -3.113 1.00 0.00 H new ATOM 0 HB2 GLN A 96 3.261 5.697 -3.261 1.00 0.00 H new ATOM 0 HB3 GLN A 96 2.169 6.347 -4.468 1.00 0.00 H new ATOM 0 HG2 GLN A 96 0.698 7.224 -2.680 1.00 0.00 H new ATOM 0 HG3 GLN A 96 1.766 6.553 -1.463 1.00 0.00 H new ATOM 0 HE21 GLN A 96 0.889 9.385 -2.552 1.00 0.00 H new ATOM 0 HE22 GLN A 96 2.418 10.270 -2.572 1.00 0.00 H new ATOM 1413 N PHE A 97 0.176 4.044 -5.434 1.00 0.00 N ATOM 1414 CA PHE A 97 -0.005 3.482 -6.767 1.00 0.00 C ATOM 1415 C PHE A 97 -1.006 4.304 -7.574 1.00 0.00 C ATOM 1416 O PHE A 97 -2.046 4.716 -7.060 1.00 0.00 O ATOM 1417 CB PHE A 97 -0.481 2.030 -6.671 1.00 0.00 C ATOM 1418 CG PHE A 97 -1.847 1.886 -6.064 1.00 0.00 C ATOM 1419 CD1 PHE A 97 -2.027 2.004 -4.695 1.00 0.00 C ATOM 1420 CD2 PHE A 97 -2.951 1.634 -6.862 1.00 0.00 C ATOM 1421 CE1 PHE A 97 -3.283 1.871 -4.134 1.00 0.00 C ATOM 1422 CE2 PHE A 97 -4.210 1.501 -6.307 1.00 0.00 C ATOM 1423 CZ PHE A 97 -4.376 1.621 -4.941 1.00 0.00 C ATOM 0 H PHE A 97 -0.666 4.456 -5.032 1.00 0.00 H new ATOM 0 HA PHE A 97 0.957 3.510 -7.279 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -0.488 1.591 -7.669 1.00 0.00 H new ATOM 0 HB3 PHE A 97 0.234 1.460 -6.077 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -1.176 2.202 -4.060 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -2.827 1.540 -7.931 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -3.410 1.962 -3.065 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -5.062 1.304 -6.940 1.00 0.00 H new ATOM 0 HZ PHE A 97 -5.359 1.520 -4.505 1.00 0.00 H new ATOM 1433 N THR A 98 -0.683 4.541 -8.841 1.00 0.00 N ATOM 1434 CA THR A 98 -1.551 5.316 -9.719 1.00 0.00 C ATOM 1435 C THR A 98 -2.601 4.428 -10.377 1.00 0.00 C ATOM 1436 O THR A 98 -2.312 3.302 -10.782 1.00 0.00 O ATOM 1437 CB THR A 98 -0.743 6.035 -10.816 1.00 0.00 C ATOM 1438 OG1 THR A 98 0.360 6.736 -10.232 1.00 0.00 O ATOM 1439 CG2 THR A 98 -1.622 7.011 -11.583 1.00 0.00 C ATOM 0 H THR A 98 0.174 4.207 -9.283 1.00 0.00 H new ATOM 0 HA THR A 98 -2.047 6.061 -9.096 1.00 0.00 H new ATOM 0 HB THR A 98 -0.368 5.284 -11.512 1.00 0.00 H new ATOM 0 HG1 THR A 98 0.869 7.189 -10.936 1.00 0.00 H new ATOM 0 HG21 THR A 98 -1.030 7.507 -12.352 1.00 0.00 H new ATOM 0 HG22 THR A 98 -2.444 6.470 -12.051 1.00 0.00 H new ATOM 0 HG23 THR A 98 -2.023 7.757 -10.896 1.00 0.00 H new ATOM 1447 N VAL A 99 -3.823 4.942 -10.480 1.00 0.00 N ATOM 1448 CA VAL A 99 -4.917 4.196 -11.091 1.00 0.00 C ATOM 1449 C VAL A 99 -5.423 4.893 -12.349 1.00 0.00 C ATOM 1450 O VAL A 99 -5.220 6.093 -12.530 1.00 0.00 O ATOM 1451 CB VAL A 99 -6.090 4.017 -10.110 1.00 0.00 C ATOM 1452 CG1 VAL A 99 -7.030 2.923 -10.595 1.00 0.00 C ATOM 1453 CG2 VAL A 99 -5.573 3.706 -8.713 1.00 0.00 C ATOM 0 H VAL A 99 -4.080 5.872 -10.148 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.522 3.216 -11.357 1.00 0.00 H new ATOM 0 HB VAL A 99 -6.650 4.951 -10.066 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -7.853 2.811 -9.889 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -7.426 3.192 -11.574 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -6.485 1.982 -10.670 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -6.415 3.583 -8.032 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -4.989 2.786 -8.738 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -4.944 4.526 -8.367 1.00 0.00 H new ATOM 1463 N GLY A 100 -6.083 4.132 -13.216 1.00 0.00 N ATOM 1464 CA GLY A 100 -6.609 4.694 -14.447 1.00 0.00 C ATOM 1465 C GLY A 100 -8.029 4.247 -14.728 1.00 0.00 C ATOM 1466 O GLY A 100 -8.464 3.179 -14.296 1.00 0.00 O ATOM 0 H GLY A 100 -6.263 3.136 -13.088 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -6.579 5.782 -14.388 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -5.968 4.402 -15.279 1.00 0.00 H new