USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 756 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 92 SER OG : rot 63:sc= 0.251 USER MOD Set 1.2: A 96 HIS : no HE2:sc= 0.334 K(o=0.59,f=-1.5) USER MOD Set 2.1: A 56 ASN : amide:sc= -0.487 K(o=-0.59,f=-5.8!) USER MOD Set 2.2: A 77 ASN : amide:sc= -0.108 K(o=-0.59,f=-1.7) USER MOD Set 3.1: A 42 SER OG : rot 180:sc= 0.456 USER MOD Set 3.2: A 44 GLN : amide:sc= -1.33 X(o=-0.88,f=-0.94) USER MOD Set 4.1: A 37 CYS SG : rot 41:sc= -1.39! USER MOD Set 4.2: A 43 THR OG1 : rot -63:sc= -0.776 USER MOD Single : A 31 LYS NZ :NH3+ -142:sc= 0 (180deg=-0.228) USER MOD Single : A 33 ASN : amide:sc= 0.423 K(o=0.42,f=-3.7!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 3:sc= 0.649 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -139:sc= -0.0512 (180deg=-1.59!) USER MOD Single : A 51 ASN : amide:sc= -4.03! C(o=-4!,f=-14!) USER MOD Single : A 54 ASN : amide:sc= -0.435 X(o=-0.43,f=-0.047) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 HIS : no HD1:sc= -5.76! C(o=-5.8!,f=-4.4!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 170:sc= -0.0216 USER MOD Single : A 64 CYS SG : rot 180:sc= -0.702 USER MOD Single : A 68 SER OG : rot 180:sc= -0.0976 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= -0.0156 USER MOD Single : A 82 MET CE :methyl -155:sc= -0.74 (180deg=-0.937) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 91 GLN : amide:sc= -0.811 K(o=-0.81,f=-0.055) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 103 CYS SG : rot 180:sc= -0.0533 USER MOD Single : A 104 TYR OH : rot 130:sc= -2.17! USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 341 N ALA A 24 -11.304 -17.534 4.251 1.00 0.00 N ATOM 342 CA ALA A 24 -9.961 -17.011 4.031 1.00 0.00 C ATOM 343 C ALA A 24 -9.934 -15.493 4.169 1.00 0.00 C ATOM 344 O ALA A 24 -10.621 -14.782 3.435 1.00 0.00 O ATOM 345 CB ALA A 24 -9.450 -17.428 2.661 1.00 0.00 C ATOM 0 HA ALA A 24 -9.305 -17.430 4.794 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.446 -17.030 2.511 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.423 -18.516 2.599 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -10.114 -17.037 1.890 1.00 0.00 H new ATOM 351 N ILE A 25 -9.138 -15.003 5.113 1.00 0.00 N ATOM 352 CA ILE A 25 -9.022 -13.569 5.345 1.00 0.00 C ATOM 353 C ILE A 25 -7.578 -13.174 5.638 1.00 0.00 C ATOM 354 O ILE A 25 -6.817 -13.947 6.221 1.00 0.00 O ATOM 355 CB ILE A 25 -9.913 -13.114 6.516 1.00 0.00 C ATOM 356 CG1 ILE A 25 -11.350 -13.599 6.309 1.00 0.00 C ATOM 357 CG2 ILE A 25 -9.875 -11.600 6.654 1.00 0.00 C ATOM 358 CD1 ILE A 25 -12.161 -13.647 7.586 1.00 0.00 C ATOM 0 H ILE A 25 -8.564 -15.578 5.730 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.354 -13.074 4.432 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.529 -13.553 7.437 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -11.848 -12.941 5.596 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -11.329 -14.594 5.864 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -10.510 -11.294 7.486 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -8.851 -11.277 6.841 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -10.237 -11.142 5.734 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -13.168 -13.999 7.364 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -11.686 -14.327 8.293 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -12.213 -12.649 8.021 1.00 0.00 H new ATOM 370 N LEU A 26 -7.207 -11.965 5.230 1.00 0.00 N ATOM 371 CA LEU A 26 -5.854 -11.466 5.449 1.00 0.00 C ATOM 372 C LEU A 26 -5.864 -10.259 6.382 1.00 0.00 C ATOM 373 O LEU A 26 -6.925 -9.791 6.797 1.00 0.00 O ATOM 374 CB LEU A 26 -5.206 -11.089 4.116 1.00 0.00 C ATOM 375 CG LEU A 26 -4.599 -12.241 3.315 1.00 0.00 C ATOM 376 CD1 LEU A 26 -3.507 -12.932 4.117 1.00 0.00 C ATOM 377 CD2 LEU A 26 -5.678 -13.236 2.911 1.00 0.00 C ATOM 0 H LEU A 26 -7.824 -11.313 4.746 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.272 -12.260 5.917 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.956 -10.598 3.496 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.423 -10.356 4.310 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.152 -11.832 2.409 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.087 -13.749 3.531 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.721 -12.215 4.355 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.929 -13.328 5.041 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.228 -14.049 2.342 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.154 -13.639 3.805 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.425 -12.733 2.297 1.00 0.00 H new ATOM 389 N ASP A 27 -4.677 -9.759 6.707 1.00 0.00 N ATOM 390 CA ASP A 27 -4.549 -8.604 7.588 1.00 0.00 C ATOM 391 C ASP A 27 -3.792 -7.474 6.896 1.00 0.00 C ATOM 392 O ASP A 27 -2.566 -7.507 6.791 1.00 0.00 O ATOM 393 CB ASP A 27 -3.831 -8.999 8.880 1.00 0.00 C ATOM 394 CG ASP A 27 -3.768 -7.860 9.878 1.00 0.00 C ATOM 395 OD1 ASP A 27 -3.488 -6.718 9.458 1.00 0.00 O ATOM 396 OD2 ASP A 27 -3.998 -8.110 11.080 1.00 0.00 O ATOM 0 H ASP A 27 -3.790 -10.135 6.374 1.00 0.00 H new ATOM 0 HA ASP A 27 -5.551 -8.250 7.831 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.344 -9.847 9.333 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -2.819 -9.328 8.644 1.00 0.00 H new ATOM 401 N PHE A 28 -4.532 -6.476 6.425 1.00 0.00 N ATOM 402 CA PHE A 28 -3.932 -5.336 5.741 1.00 0.00 C ATOM 403 C PHE A 28 -4.415 -4.022 6.348 1.00 0.00 C ATOM 404 O PHE A 28 -5.585 -3.863 6.697 1.00 0.00 O ATOM 405 CB PHE A 28 -4.266 -5.376 4.249 1.00 0.00 C ATOM 406 CG PHE A 28 -3.388 -6.307 3.462 1.00 0.00 C ATOM 407 CD1 PHE A 28 -3.737 -7.638 3.301 1.00 0.00 C ATOM 408 CD2 PHE A 28 -2.215 -5.850 2.884 1.00 0.00 C ATOM 409 CE1 PHE A 28 -2.930 -8.497 2.579 1.00 0.00 C ATOM 410 CE2 PHE A 28 -1.405 -6.704 2.160 1.00 0.00 C ATOM 411 CZ PHE A 28 -1.763 -8.029 2.006 1.00 0.00 C ATOM 0 H PHE A 28 -5.548 -6.433 6.504 1.00 0.00 H new ATOM 0 HA PHE A 28 -2.851 -5.397 5.865 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -5.306 -5.679 4.126 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.176 -4.371 3.838 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -4.649 -8.008 3.744 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.930 -4.815 3.000 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -3.211 -9.533 2.463 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.493 -6.336 1.715 1.00 0.00 H new ATOM 0 HZ PHE A 28 -1.132 -8.698 1.439 1.00 0.00 H new ATOM 421 N PRO A 29 -3.493 -3.056 6.477 1.00 0.00 N ATOM 422 CA PRO A 29 -3.801 -1.738 7.041 1.00 0.00 C ATOM 423 C PRO A 29 -4.686 -0.906 6.120 1.00 0.00 C ATOM 424 O PRO A 29 -4.759 -1.159 4.917 1.00 0.00 O ATOM 425 CB PRO A 29 -2.424 -1.087 7.192 1.00 0.00 C ATOM 426 CG PRO A 29 -1.571 -1.764 6.175 1.00 0.00 C ATOM 427 CD PRO A 29 -2.080 -3.176 6.082 1.00 0.00 C ATOM 0 HA PRO A 29 -4.357 -1.814 7.976 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -2.473 -0.012 7.016 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -2.028 -1.227 8.198 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -1.639 -1.260 5.211 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -0.522 -1.746 6.471 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -1.977 -3.574 5.073 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -1.533 -3.845 6.746 1.00 0.00 H new ATOM 435 N ASP A 30 -5.357 0.088 6.691 1.00 0.00 N ATOM 436 CA ASP A 30 -6.237 0.960 5.921 1.00 0.00 C ATOM 437 C ASP A 30 -5.458 1.694 4.834 1.00 0.00 C ATOM 438 O ASP A 30 -5.913 1.803 3.695 1.00 0.00 O ATOM 439 CB ASP A 30 -6.925 1.968 6.841 1.00 0.00 C ATOM 440 CG ASP A 30 -7.689 1.297 7.966 1.00 0.00 C ATOM 441 OD1 ASP A 30 -8.155 0.155 7.769 1.00 0.00 O ATOM 442 OD2 ASP A 30 -7.821 1.914 9.044 1.00 0.00 O ATOM 0 H ASP A 30 -5.308 0.310 7.685 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.996 0.340 5.444 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -6.177 2.639 7.263 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -7.610 2.581 6.256 1.00 0.00 H new ATOM 447 N LYS A 31 -4.282 2.197 5.193 1.00 0.00 N ATOM 448 CA LYS A 31 -3.438 2.921 4.250 1.00 0.00 C ATOM 449 C LYS A 31 -1.982 2.914 4.705 1.00 0.00 C ATOM 450 O LYS A 31 -1.696 2.908 5.902 1.00 0.00 O ATOM 451 CB LYS A 31 -3.929 4.363 4.098 1.00 0.00 C ATOM 452 CG LYS A 31 -3.847 5.172 5.381 1.00 0.00 C ATOM 453 CD LYS A 31 -3.832 6.665 5.099 1.00 0.00 C ATOM 454 CE LYS A 31 -5.241 7.234 5.034 1.00 0.00 C ATOM 455 NZ LYS A 31 -5.829 7.105 3.673 1.00 0.00 N ATOM 0 H LYS A 31 -3.891 2.116 6.132 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.501 2.418 3.285 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.339 4.859 3.327 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -4.962 4.351 3.751 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.696 4.930 6.020 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.947 4.895 5.930 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.267 7.178 5.877 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.319 6.853 4.156 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -5.875 6.717 5.754 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.222 8.285 5.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.390 7.953 3.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -5.066 7.005 2.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -6.443 6.266 3.638 1.00 0.00 H new ATOM 469 N LEU A 32 -1.067 2.916 3.742 1.00 0.00 N ATOM 470 CA LEU A 32 0.361 2.911 4.044 1.00 0.00 C ATOM 471 C LEU A 32 0.957 4.306 3.880 1.00 0.00 C ATOM 472 O LEU A 32 1.113 4.797 2.764 1.00 0.00 O ATOM 473 CB LEU A 32 1.091 1.922 3.134 1.00 0.00 C ATOM 474 CG LEU A 32 2.342 1.267 3.722 1.00 0.00 C ATOM 475 CD1 LEU A 32 2.605 -0.075 3.056 1.00 0.00 C ATOM 476 CD2 LEU A 32 3.546 2.185 3.569 1.00 0.00 C ATOM 0 H LEU A 32 -1.288 2.921 2.746 1.00 0.00 H new ATOM 0 HA LEU A 32 0.487 2.602 5.082 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.392 1.135 2.851 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.373 2.442 2.218 1.00 0.00 H new ATOM 0 HG LEU A 32 2.174 1.095 4.785 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.499 -0.526 3.487 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.752 -0.734 3.217 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.753 0.073 1.986 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.427 1.703 3.993 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.717 2.388 2.512 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.358 3.122 4.093 1.00 0.00 H new ATOM 488 N ASN A 33 1.289 4.937 5.002 1.00 0.00 N ATOM 489 CA ASN A 33 1.870 6.274 4.983 1.00 0.00 C ATOM 490 C ASN A 33 3.386 6.212 5.143 1.00 0.00 C ATOM 491 O ASN A 33 3.894 5.732 6.156 1.00 0.00 O ATOM 492 CB ASN A 33 1.263 7.132 6.095 1.00 0.00 C ATOM 493 CG ASN A 33 1.327 6.453 7.449 1.00 0.00 C ATOM 494 OD1 ASN A 33 0.779 5.367 7.638 1.00 0.00 O ATOM 495 ND2 ASN A 33 1.999 7.092 8.400 1.00 0.00 N ATOM 0 H ASN A 33 1.166 4.544 5.935 1.00 0.00 H new ATOM 0 HA ASN A 33 1.643 6.727 4.018 1.00 0.00 H new ATOM 0 HB2 ASN A 33 1.790 8.085 6.144 1.00 0.00 H new ATOM 0 HB3 ASN A 33 0.224 7.355 5.852 1.00 0.00 H new ATOM 0 HD21 ASN A 33 2.076 6.684 9.332 1.00 0.00 H new ATOM 0 HD22 ASN A 33 2.438 7.991 8.199 1.00 0.00 H new ATOM 502 N PHE A 34 4.102 6.700 4.136 1.00 0.00 N ATOM 503 CA PHE A 34 5.560 6.700 4.164 1.00 0.00 C ATOM 504 C PHE A 34 6.090 7.929 4.896 1.00 0.00 C ATOM 505 O PHE A 34 6.046 9.043 4.374 1.00 0.00 O ATOM 506 CB PHE A 34 6.119 6.660 2.740 1.00 0.00 C ATOM 507 CG PHE A 34 5.998 5.313 2.086 1.00 0.00 C ATOM 508 CD1 PHE A 34 4.760 4.823 1.703 1.00 0.00 C ATOM 509 CD2 PHE A 34 7.123 4.537 1.856 1.00 0.00 C ATOM 510 CE1 PHE A 34 4.646 3.585 1.100 1.00 0.00 C ATOM 511 CE2 PHE A 34 7.014 3.298 1.254 1.00 0.00 C ATOM 512 CZ PHE A 34 5.774 2.820 0.876 1.00 0.00 C ATOM 0 H PHE A 34 3.696 7.101 3.290 1.00 0.00 H new ATOM 0 HA PHE A 34 5.888 5.810 4.701 1.00 0.00 H new ATOM 0 HB2 PHE A 34 5.596 7.398 2.132 1.00 0.00 H new ATOM 0 HB3 PHE A 34 7.169 6.951 2.762 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.874 5.415 1.878 1.00 0.00 H new ATOM 0 HD2 PHE A 34 8.095 4.904 2.150 1.00 0.00 H new ATOM 0 HE1 PHE A 34 3.675 3.216 0.804 1.00 0.00 H new ATOM 0 HE2 PHE A 34 7.898 2.703 1.079 1.00 0.00 H new ATOM 0 HZ PHE A 34 5.687 1.851 0.407 1.00 0.00 H new ATOM 522 N SER A 35 6.591 7.718 6.109 1.00 0.00 N ATOM 523 CA SER A 35 7.126 8.808 6.916 1.00 0.00 C ATOM 524 C SER A 35 7.761 9.877 6.032 1.00 0.00 C ATOM 525 O SER A 35 7.233 10.982 5.896 1.00 0.00 O ATOM 526 CB SER A 35 8.158 8.275 7.912 1.00 0.00 C ATOM 527 OG SER A 35 7.530 7.562 8.964 1.00 0.00 O ATOM 0 H SER A 35 6.637 6.802 6.555 1.00 0.00 H new ATOM 0 HA SER A 35 6.300 9.259 7.466 1.00 0.00 H new ATOM 0 HB2 SER A 35 8.863 7.623 7.396 1.00 0.00 H new ATOM 0 HB3 SER A 35 8.733 9.104 8.323 1.00 0.00 H new ATOM 0 HG SER A 35 8.211 7.230 9.586 1.00 0.00 H new ATOM 533 N THR A 36 8.898 9.541 5.432 1.00 0.00 N ATOM 534 CA THR A 36 9.607 10.471 4.562 1.00 0.00 C ATOM 535 C THR A 36 10.530 9.730 3.601 1.00 0.00 C ATOM 536 O THR A 36 11.073 8.677 3.936 1.00 0.00 O ATOM 537 CB THR A 36 10.437 11.481 5.377 1.00 0.00 C ATOM 538 OG1 THR A 36 9.570 12.308 6.161 1.00 0.00 O ATOM 539 CG2 THR A 36 11.283 12.351 4.459 1.00 0.00 C ATOM 0 H THR A 36 9.348 8.631 5.533 1.00 0.00 H new ATOM 0 HA THR A 36 8.850 11.010 3.992 1.00 0.00 H new ATOM 0 HB THR A 36 11.101 10.924 6.037 1.00 0.00 H new ATOM 0 HG1 THR A 36 8.642 12.020 6.035 1.00 0.00 H new ATOM 0 HG21 THR A 36 11.860 13.056 5.057 1.00 0.00 H new ATOM 0 HG22 THR A 36 11.962 11.721 3.885 1.00 0.00 H new ATOM 0 HG23 THR A 36 10.633 12.900 3.777 1.00 0.00 H new ATOM 547 N CYS A 37 10.704 10.287 2.408 1.00 0.00 N ATOM 548 CA CYS A 37 11.562 9.678 1.398 1.00 0.00 C ATOM 549 C CYS A 37 11.970 10.701 0.343 1.00 0.00 C ATOM 550 O CYS A 37 11.363 11.763 0.205 1.00 0.00 O ATOM 551 CB CYS A 37 10.847 8.500 0.734 1.00 0.00 C ATOM 552 SG CYS A 37 11.167 6.904 1.521 1.00 0.00 S ATOM 0 H CYS A 37 10.263 11.159 2.116 1.00 0.00 H new ATOM 0 HA CYS A 37 12.462 9.314 1.893 1.00 0.00 H new ATOM 0 HB2 CYS A 37 9.773 8.689 0.743 1.00 0.00 H new ATOM 0 HB3 CYS A 37 11.152 8.446 -0.311 1.00 0.00 H new ATOM 0 HG CYS A 37 11.161 7.048 2.813 1.00 0.00 H new ATOM 558 N PRO A 38 13.024 10.376 -0.420 1.00 0.00 N ATOM 559 CA PRO A 38 13.538 11.254 -1.476 1.00 0.00 C ATOM 560 C PRO A 38 12.586 11.353 -2.663 1.00 0.00 C ATOM 561 O PRO A 38 11.578 10.648 -2.723 1.00 0.00 O ATOM 562 CB PRO A 38 14.846 10.578 -1.894 1.00 0.00 C ATOM 563 CG PRO A 38 14.660 9.143 -1.542 1.00 0.00 C ATOM 564 CD PRO A 38 13.796 9.127 -0.311 1.00 0.00 C ATOM 0 HA PRO A 38 13.664 12.279 -1.128 1.00 0.00 H new ATOM 0 HB2 PRO A 38 15.033 10.703 -2.961 1.00 0.00 H new ATOM 0 HB3 PRO A 38 15.699 11.007 -1.368 1.00 0.00 H new ATOM 0 HG2 PRO A 38 14.186 8.599 -2.359 1.00 0.00 H new ATOM 0 HG3 PRO A 38 15.619 8.660 -1.352 1.00 0.00 H new ATOM 0 HD2 PRO A 38 13.145 8.253 -0.288 1.00 0.00 H new ATOM 0 HD3 PRO A 38 14.394 9.103 0.600 1.00 0.00 H new ATOM 572 N VAL A 39 12.911 12.231 -3.606 1.00 0.00 N ATOM 573 CA VAL A 39 12.085 12.421 -4.792 1.00 0.00 C ATOM 574 C VAL A 39 12.637 11.635 -5.977 1.00 0.00 C ATOM 575 O VAL A 39 11.904 10.910 -6.651 1.00 0.00 O ATOM 576 CB VAL A 39 11.989 13.909 -5.177 1.00 0.00 C ATOM 577 CG1 VAL A 39 13.376 14.525 -5.279 1.00 0.00 C ATOM 578 CG2 VAL A 39 11.226 14.072 -6.483 1.00 0.00 C ATOM 0 H VAL A 39 13.741 12.822 -3.572 1.00 0.00 H new ATOM 0 HA VAL A 39 11.089 12.052 -4.547 1.00 0.00 H new ATOM 0 HB VAL A 39 11.442 14.435 -4.395 1.00 0.00 H new ATOM 0 HG11 VAL A 39 13.288 15.577 -5.552 1.00 0.00 H new ATOM 0 HG12 VAL A 39 13.883 14.441 -4.318 1.00 0.00 H new ATOM 0 HG13 VAL A 39 13.952 14.000 -6.040 1.00 0.00 H new ATOM 0 HG21 VAL A 39 11.167 15.130 -6.741 1.00 0.00 H new ATOM 0 HG22 VAL A 39 11.744 13.533 -7.277 1.00 0.00 H new ATOM 0 HG23 VAL A 39 10.219 13.670 -6.369 1.00 0.00 H new ATOM 588 N LYS A 40 13.933 11.783 -6.225 1.00 0.00 N ATOM 589 CA LYS A 40 14.586 11.087 -7.328 1.00 0.00 C ATOM 590 C LYS A 40 14.778 9.610 -7.000 1.00 0.00 C ATOM 591 O LYS A 40 14.383 8.736 -7.773 1.00 0.00 O ATOM 592 CB LYS A 40 15.939 11.732 -7.636 1.00 0.00 C ATOM 593 CG LYS A 40 15.870 12.807 -8.708 1.00 0.00 C ATOM 594 CD LYS A 40 15.241 14.084 -8.177 1.00 0.00 C ATOM 595 CE LYS A 40 15.511 15.263 -9.099 1.00 0.00 C ATOM 596 NZ LYS A 40 14.620 16.418 -8.797 1.00 0.00 N ATOM 0 H LYS A 40 14.553 12.379 -5.677 1.00 0.00 H new ATOM 0 HA LYS A 40 13.945 11.167 -8.206 1.00 0.00 H new ATOM 0 HB2 LYS A 40 16.341 12.168 -6.721 1.00 0.00 H new ATOM 0 HB3 LYS A 40 16.637 10.958 -7.954 1.00 0.00 H new ATOM 0 HG2 LYS A 40 16.874 13.020 -9.076 1.00 0.00 H new ATOM 0 HG3 LYS A 40 15.291 12.440 -9.556 1.00 0.00 H new ATOM 0 HD2 LYS A 40 14.165 13.944 -8.069 1.00 0.00 H new ATOM 0 HD3 LYS A 40 15.635 14.300 -7.184 1.00 0.00 H new ATOM 0 HE2 LYS A 40 16.552 15.571 -8.999 1.00 0.00 H new ATOM 0 HE3 LYS A 40 15.368 14.955 -10.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 14.835 17.201 -9.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 13.627 16.131 -8.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 14.775 16.729 -7.817 1.00 0.00 H new ATOM 610 N TYR A 41 15.386 9.337 -5.851 1.00 0.00 N ATOM 611 CA TYR A 41 15.631 7.966 -5.422 1.00 0.00 C ATOM 612 C TYR A 41 14.318 7.227 -5.182 1.00 0.00 C ATOM 613 O TYR A 41 13.276 7.845 -4.965 1.00 0.00 O ATOM 614 CB TYR A 41 16.477 7.951 -4.148 1.00 0.00 C ATOM 615 CG TYR A 41 17.874 8.495 -4.342 1.00 0.00 C ATOM 616 CD1 TYR A 41 18.130 9.858 -4.249 1.00 0.00 C ATOM 617 CD2 TYR A 41 18.939 7.646 -4.619 1.00 0.00 C ATOM 618 CE1 TYR A 41 19.405 10.359 -4.427 1.00 0.00 C ATOM 619 CE2 TYR A 41 20.218 8.139 -4.797 1.00 0.00 C ATOM 620 CZ TYR A 41 20.445 9.496 -4.700 1.00 0.00 C ATOM 621 OH TYR A 41 21.717 9.991 -4.877 1.00 0.00 O ATOM 0 H TYR A 41 15.718 10.048 -5.200 1.00 0.00 H new ATOM 0 HA TYR A 41 16.174 7.456 -6.217 1.00 0.00 H new ATOM 0 HB2 TYR A 41 15.972 8.536 -3.380 1.00 0.00 H new ATOM 0 HB3 TYR A 41 16.543 6.928 -3.778 1.00 0.00 H new ATOM 0 HD1 TYR A 41 17.318 10.537 -4.034 1.00 0.00 H new ATOM 0 HD2 TYR A 41 18.764 6.583 -4.696 1.00 0.00 H new ATOM 0 HE1 TYR A 41 19.586 11.421 -4.353 1.00 0.00 H new ATOM 0 HE2 TYR A 41 21.035 7.466 -5.011 1.00 0.00 H new ATOM 0 HH TYR A 41 22.333 9.251 -5.061 1.00 0.00 H new ATOM 631 N SER A 42 14.377 5.900 -5.224 1.00 0.00 N ATOM 632 CA SER A 42 13.193 5.075 -5.014 1.00 0.00 C ATOM 633 C SER A 42 12.972 4.808 -3.528 1.00 0.00 C ATOM 634 O SER A 42 13.911 4.844 -2.732 1.00 0.00 O ATOM 635 CB SER A 42 13.329 3.749 -5.767 1.00 0.00 C ATOM 636 OG SER A 42 14.498 3.054 -5.368 1.00 0.00 O ATOM 0 H SER A 42 15.232 5.373 -5.402 1.00 0.00 H new ATOM 0 HA SER A 42 12.330 5.618 -5.400 1.00 0.00 H new ATOM 0 HB2 SER A 42 12.452 3.129 -5.580 1.00 0.00 H new ATOM 0 HB3 SER A 42 13.363 3.938 -6.840 1.00 0.00 H new ATOM 0 HG SER A 42 14.561 2.210 -5.862 1.00 0.00 H new ATOM 642 N THR A 43 11.723 4.542 -3.161 1.00 0.00 N ATOM 643 CA THR A 43 11.376 4.271 -1.771 1.00 0.00 C ATOM 644 C THR A 43 11.110 2.786 -1.551 1.00 0.00 C ATOM 645 O THR A 43 10.723 2.072 -2.475 1.00 0.00 O ATOM 646 CB THR A 43 10.136 5.073 -1.335 1.00 0.00 C ATOM 647 OG1 THR A 43 10.472 6.459 -1.198 1.00 0.00 O ATOM 648 CG2 THR A 43 9.587 4.547 -0.017 1.00 0.00 C ATOM 0 H THR A 43 10.934 4.508 -3.807 1.00 0.00 H new ATOM 0 HA THR A 43 12.229 4.578 -1.166 1.00 0.00 H new ATOM 0 HB THR A 43 9.369 4.959 -2.101 1.00 0.00 H new ATOM 0 HG1 THR A 43 11.135 6.566 -0.484 1.00 0.00 H new ATOM 0 HG21 THR A 43 8.711 5.129 0.271 1.00 0.00 H new ATOM 0 HG22 THR A 43 9.305 3.500 -0.132 1.00 0.00 H new ATOM 0 HG23 THR A 43 10.351 4.634 0.756 1.00 0.00 H new ATOM 656 N GLN A 44 11.319 2.329 -0.320 1.00 0.00 N ATOM 657 CA GLN A 44 11.101 0.928 0.021 1.00 0.00 C ATOM 658 C GLN A 44 10.401 0.798 1.369 1.00 0.00 C ATOM 659 O GLN A 44 10.613 1.609 2.271 1.00 0.00 O ATOM 660 CB GLN A 44 12.432 0.175 0.049 1.00 0.00 C ATOM 661 CG GLN A 44 12.979 -0.147 -1.333 1.00 0.00 C ATOM 662 CD GLN A 44 13.648 1.046 -1.988 1.00 0.00 C ATOM 663 OE1 GLN A 44 14.343 1.821 -1.330 1.00 0.00 O ATOM 664 NE2 GLN A 44 13.442 1.199 -3.290 1.00 0.00 N ATOM 0 H GLN A 44 11.639 2.908 0.457 1.00 0.00 H new ATOM 0 HA GLN A 44 10.460 0.490 -0.744 1.00 0.00 H new ATOM 0 HB2 GLN A 44 13.166 0.771 0.591 1.00 0.00 H new ATOM 0 HB3 GLN A 44 12.303 -0.754 0.605 1.00 0.00 H new ATOM 0 HG2 GLN A 44 13.697 -0.964 -1.254 1.00 0.00 H new ATOM 0 HG3 GLN A 44 12.166 -0.497 -1.969 1.00 0.00 H new ATOM 0 HE21 GLN A 44 12.859 0.532 -3.796 1.00 0.00 H new ATOM 0 HE22 GLN A 44 13.867 1.983 -3.785 1.00 0.00 H new ATOM 673 N LYS A 45 9.566 -0.226 1.501 1.00 0.00 N ATOM 674 CA LYS A 45 8.834 -0.464 2.740 1.00 0.00 C ATOM 675 C LYS A 45 8.346 -1.907 2.815 1.00 0.00 C ATOM 676 O LYS A 45 8.095 -2.541 1.790 1.00 0.00 O ATOM 677 CB LYS A 45 7.646 0.494 2.846 1.00 0.00 C ATOM 678 CG LYS A 45 6.981 0.489 4.212 1.00 0.00 C ATOM 679 CD LYS A 45 7.557 1.565 5.117 1.00 0.00 C ATOM 680 CE LYS A 45 6.805 2.879 4.969 1.00 0.00 C ATOM 681 NZ LYS A 45 7.365 3.940 5.851 1.00 0.00 N ATOM 0 H LYS A 45 9.379 -0.906 0.764 1.00 0.00 H new ATOM 0 HA LYS A 45 9.513 -0.285 3.574 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.984 1.505 2.619 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.907 0.228 2.090 1.00 0.00 H new ATOM 0 HG2 LYS A 45 5.909 0.646 4.096 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.112 -0.488 4.678 1.00 0.00 H new ATOM 0 HD2 LYS A 45 7.511 1.233 6.154 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.609 1.718 4.878 1.00 0.00 H new ATOM 0 HE2 LYS A 45 6.850 3.208 3.931 1.00 0.00 H new ATOM 0 HE3 LYS A 45 5.753 2.725 5.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.587 4.487 6.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.929 3.501 6.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.970 4.574 5.291 1.00 0.00 H new ATOM 695 N ILE A 46 8.212 -2.419 4.034 1.00 0.00 N ATOM 696 CA ILE A 46 7.751 -3.786 4.242 1.00 0.00 C ATOM 697 C ILE A 46 6.428 -3.810 5.000 1.00 0.00 C ATOM 698 O ILE A 46 6.133 -2.908 5.785 1.00 0.00 O ATOM 699 CB ILE A 46 8.790 -4.619 5.016 1.00 0.00 C ATOM 700 CG1 ILE A 46 10.083 -4.740 4.208 1.00 0.00 C ATOM 701 CG2 ILE A 46 8.230 -5.996 5.339 1.00 0.00 C ATOM 702 CD1 ILE A 46 11.184 -5.479 4.937 1.00 0.00 C ATOM 0 H ILE A 46 8.416 -1.908 4.893 1.00 0.00 H new ATOM 0 HA ILE A 46 7.609 -4.225 3.255 1.00 0.00 H new ATOM 0 HB ILE A 46 9.016 -4.111 5.954 1.00 0.00 H new ATOM 0 HG12 ILE A 46 9.870 -5.255 3.271 1.00 0.00 H new ATOM 0 HG13 ILE A 46 10.436 -3.741 3.950 1.00 0.00 H new ATOM 0 HG21 ILE A 46 8.976 -6.573 5.886 1.00 0.00 H new ATOM 0 HG22 ILE A 46 7.333 -5.890 5.950 1.00 0.00 H new ATOM 0 HG23 ILE A 46 7.979 -6.513 4.413 1.00 0.00 H new ATOM 0 HD11 ILE A 46 12.071 -5.527 4.305 1.00 0.00 H new ATOM 0 HD12 ILE A 46 11.425 -4.953 5.861 1.00 0.00 H new ATOM 0 HD13 ILE A 46 10.850 -6.490 5.171 1.00 0.00 H new ATOM 714 N LEU A 47 5.636 -4.849 4.762 1.00 0.00 N ATOM 715 CA LEU A 47 4.344 -4.994 5.424 1.00 0.00 C ATOM 716 C LEU A 47 4.116 -6.436 5.865 1.00 0.00 C ATOM 717 O LEU A 47 3.954 -7.332 5.035 1.00 0.00 O ATOM 718 CB LEU A 47 3.217 -4.550 4.489 1.00 0.00 C ATOM 719 CG LEU A 47 1.842 -5.164 4.757 1.00 0.00 C ATOM 720 CD1 LEU A 47 1.270 -4.642 6.066 1.00 0.00 C ATOM 721 CD2 LEU A 47 0.894 -4.871 3.603 1.00 0.00 C ATOM 0 H LEU A 47 5.865 -5.604 4.115 1.00 0.00 H new ATOM 0 HA LEU A 47 4.345 -4.359 6.310 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.127 -3.465 4.551 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.506 -4.788 3.465 1.00 0.00 H new ATOM 0 HG LEU A 47 1.957 -6.245 4.841 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.292 -5.090 6.240 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.939 -4.903 6.886 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.168 -3.558 6.012 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.080 -5.315 3.810 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.784 -3.793 3.487 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.298 -5.295 2.684 1.00 0.00 H new ATOM 733 N LEU A 48 4.103 -6.654 7.175 1.00 0.00 N ATOM 734 CA LEU A 48 3.893 -7.987 7.728 1.00 0.00 C ATOM 735 C LEU A 48 2.433 -8.408 7.593 1.00 0.00 C ATOM 736 O LEU A 48 1.535 -7.753 8.123 1.00 0.00 O ATOM 737 CB LEU A 48 4.312 -8.024 9.198 1.00 0.00 C ATOM 738 CG LEU A 48 4.465 -9.413 9.818 1.00 0.00 C ATOM 739 CD1 LEU A 48 3.169 -10.199 9.693 1.00 0.00 C ATOM 740 CD2 LEU A 48 5.613 -10.167 9.162 1.00 0.00 C ATOM 0 H LEU A 48 4.236 -5.924 7.875 1.00 0.00 H new ATOM 0 HA LEU A 48 4.509 -8.688 7.164 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.261 -7.497 9.298 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.576 -7.468 9.779 1.00 0.00 H new ATOM 0 HG LEU A 48 4.693 -9.294 10.877 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.297 -11.185 10.140 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.370 -9.667 10.210 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.910 -10.309 8.640 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.707 -11.153 9.616 1.00 0.00 H new ATOM 0 HD22 LEU A 48 5.415 -10.276 8.096 1.00 0.00 H new ATOM 0 HD23 LEU A 48 6.541 -9.612 9.304 1.00 0.00 H new ATOM 752 N VAL A 49 2.203 -9.508 6.881 1.00 0.00 N ATOM 753 CA VAL A 49 0.852 -10.019 6.679 1.00 0.00 C ATOM 754 C VAL A 49 0.668 -11.369 7.362 1.00 0.00 C ATOM 755 O VAL A 49 1.494 -12.269 7.213 1.00 0.00 O ATOM 756 CB VAL A 49 0.525 -10.164 5.181 1.00 0.00 C ATOM 757 CG1 VAL A 49 -0.927 -10.575 4.989 1.00 0.00 C ATOM 758 CG2 VAL A 49 0.824 -8.868 4.443 1.00 0.00 C ATOM 0 H VAL A 49 2.934 -10.062 6.435 1.00 0.00 H new ATOM 0 HA VAL A 49 0.169 -9.295 7.123 1.00 0.00 H new ATOM 0 HB VAL A 49 1.157 -10.947 4.762 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.140 -10.673 3.924 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.103 -11.530 5.483 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.580 -9.817 5.422 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.587 -8.988 3.386 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.219 -8.063 4.861 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.880 -8.622 4.553 1.00 0.00 H new ATOM 768 N ARG A 50 -0.422 -11.504 8.111 1.00 0.00 N ATOM 769 CA ARG A 50 -0.715 -12.745 8.817 1.00 0.00 C ATOM 770 C ARG A 50 -2.086 -13.286 8.421 1.00 0.00 C ATOM 771 O ARG A 50 -3.089 -12.577 8.496 1.00 0.00 O ATOM 772 CB ARG A 50 -0.661 -12.520 10.330 1.00 0.00 C ATOM 773 CG ARG A 50 -0.979 -13.765 11.142 1.00 0.00 C ATOM 774 CD ARG A 50 -1.534 -13.410 12.512 1.00 0.00 C ATOM 775 NE ARG A 50 -1.328 -14.482 13.481 1.00 0.00 N ATOM 776 CZ ARG A 50 -1.494 -14.332 14.791 1.00 0.00 C ATOM 777 NH1 ARG A 50 -1.867 -13.159 15.284 1.00 0.00 N ATOM 778 NH2 ARG A 50 -1.287 -15.355 15.609 1.00 0.00 N ATOM 0 H ARG A 50 -1.116 -10.769 8.244 1.00 0.00 H new ATOM 0 HA ARG A 50 0.040 -13.480 8.538 1.00 0.00 H new ATOM 0 HB2 ARG A 50 0.333 -12.164 10.601 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.365 -11.732 10.597 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -1.702 -14.377 10.603 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.077 -14.365 11.258 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -1.055 -12.499 12.872 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.600 -13.198 12.427 1.00 0.00 H new ATOM 0 HE ARG A 50 -1.041 -15.397 13.133 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -2.027 -12.370 14.658 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -1.994 -13.046 16.290 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -1.000 -16.259 15.233 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -1.415 -15.238 16.614 1.00 0.00 H new ATOM 792 N ASN A 51 -2.120 -14.545 7.999 1.00 0.00 N ATOM 793 CA ASN A 51 -3.367 -15.181 7.589 1.00 0.00 C ATOM 794 C ASN A 51 -4.289 -15.389 8.786 1.00 0.00 C ATOM 795 O ASN A 51 -4.077 -16.292 9.596 1.00 0.00 O ATOM 796 CB ASN A 51 -3.081 -16.522 6.911 1.00 0.00 C ATOM 797 CG ASN A 51 -4.350 -17.275 6.561 1.00 0.00 C ATOM 798 OD1 ASN A 51 -5.305 -17.300 7.338 1.00 0.00 O ATOM 799 ND2 ASN A 51 -4.366 -17.892 5.385 1.00 0.00 N ATOM 0 H ASN A 51 -1.298 -15.146 7.932 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.866 -14.522 6.878 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -2.501 -16.351 6.004 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -2.468 -17.136 7.570 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -5.193 -18.413 5.094 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -3.551 -17.844 4.773 1.00 0.00 H new ATOM 806 N ILE A 52 -5.314 -14.549 8.890 1.00 0.00 N ATOM 807 CA ILE A 52 -6.269 -14.643 9.987 1.00 0.00 C ATOM 808 C ILE A 52 -7.508 -15.428 9.571 1.00 0.00 C ATOM 809 O ILE A 52 -8.548 -15.360 10.224 1.00 0.00 O ATOM 810 CB ILE A 52 -6.700 -13.249 10.479 1.00 0.00 C ATOM 811 CG1 ILE A 52 -7.312 -12.445 9.329 1.00 0.00 C ATOM 812 CG2 ILE A 52 -5.513 -12.508 11.077 1.00 0.00 C ATOM 813 CD1 ILE A 52 -8.027 -11.191 9.782 1.00 0.00 C ATOM 0 H ILE A 52 -5.504 -13.796 8.228 1.00 0.00 H new ATOM 0 HA ILE A 52 -5.766 -15.167 10.800 1.00 0.00 H new ATOM 0 HB ILE A 52 -7.456 -13.371 11.255 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -6.524 -12.171 8.628 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.014 -13.078 8.787 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.834 -11.524 11.420 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.117 -13.075 11.919 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.737 -12.393 10.320 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -8.435 -10.672 8.915 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -8.838 -11.459 10.460 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -7.324 -10.538 10.298 1.00 0.00 H new ATOM 825 N GLY A 53 -7.389 -16.176 8.478 1.00 0.00 N ATOM 826 CA GLY A 53 -8.507 -16.965 7.993 1.00 0.00 C ATOM 827 C GLY A 53 -8.538 -18.356 8.595 1.00 0.00 C ATOM 828 O GLY A 53 -8.046 -18.572 9.701 1.00 0.00 O ATOM 0 H GLY A 53 -6.538 -16.250 7.920 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -9.439 -16.451 8.226 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -8.449 -17.043 6.907 1.00 0.00 H new ATOM 832 N ASN A 54 -9.119 -19.302 7.864 1.00 0.00 N ATOM 833 CA ASN A 54 -9.214 -20.680 8.333 1.00 0.00 C ATOM 834 C ASN A 54 -8.443 -21.622 7.415 1.00 0.00 C ATOM 835 O ASN A 54 -7.886 -22.625 7.862 1.00 0.00 O ATOM 836 CB ASN A 54 -10.680 -21.113 8.413 1.00 0.00 C ATOM 837 CG ASN A 54 -10.830 -22.599 8.680 1.00 0.00 C ATOM 838 OD1 ASN A 54 -10.939 -23.025 9.830 1.00 0.00 O ATOM 839 ND2 ASN A 54 -10.834 -23.394 7.617 1.00 0.00 N ATOM 0 H ASN A 54 -9.531 -19.140 6.945 1.00 0.00 H new ATOM 0 HA ASN A 54 -8.772 -20.730 9.328 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -11.179 -20.552 9.203 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -11.182 -20.862 7.478 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -10.930 -24.403 7.735 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -10.741 -22.996 6.682 1.00 0.00 H new ATOM 846 N LYS A 55 -8.413 -21.292 6.128 1.00 0.00 N ATOM 847 CA LYS A 55 -7.708 -22.107 5.145 1.00 0.00 C ATOM 848 C LYS A 55 -6.664 -21.280 4.402 1.00 0.00 C ATOM 849 O LYS A 55 -6.576 -20.066 4.583 1.00 0.00 O ATOM 850 CB LYS A 55 -8.700 -22.710 4.148 1.00 0.00 C ATOM 851 CG LYS A 55 -8.346 -24.124 3.719 1.00 0.00 C ATOM 852 CD LYS A 55 -8.942 -25.158 4.660 1.00 0.00 C ATOM 853 CE LYS A 55 -10.312 -25.618 4.187 1.00 0.00 C ATOM 854 NZ LYS A 55 -10.212 -26.678 3.145 1.00 0.00 N ATOM 0 H LYS A 55 -8.869 -20.466 5.741 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.199 -22.912 5.674 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -9.695 -22.713 4.594 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -8.748 -22.073 3.265 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.709 -24.300 2.707 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.262 -24.237 3.693 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -8.273 -26.016 4.730 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -9.025 -24.735 5.661 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -10.881 -25.996 5.036 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -10.863 -24.767 3.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -11.167 -26.965 2.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.691 -26.310 2.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -9.709 -27.501 3.534 1.00 0.00 H new ATOM 868 N ASN A 56 -5.874 -21.946 3.565 1.00 0.00 N ATOM 869 CA ASN A 56 -4.836 -21.272 2.794 1.00 0.00 C ATOM 870 C ASN A 56 -5.410 -20.079 2.035 1.00 0.00 C ATOM 871 O ASN A 56 -6.166 -20.244 1.079 1.00 0.00 O ATOM 872 CB ASN A 56 -4.185 -22.249 1.813 1.00 0.00 C ATOM 873 CG ASN A 56 -2.767 -21.848 1.454 1.00 0.00 C ATOM 874 OD1 ASN A 56 -2.092 -21.160 2.219 1.00 0.00 O ATOM 875 ND2 ASN A 56 -2.309 -22.278 0.284 1.00 0.00 N ATOM 0 H ASN A 56 -5.933 -22.951 3.404 1.00 0.00 H new ATOM 0 HA ASN A 56 -4.080 -20.908 3.490 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -4.178 -23.248 2.250 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -4.786 -22.302 0.905 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -1.362 -22.040 -0.012 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -2.904 -22.846 -0.319 1.00 0.00 H new ATOM 882 N ALA A 57 -5.044 -18.877 2.469 1.00 0.00 N ATOM 883 CA ALA A 57 -5.519 -17.657 1.829 1.00 0.00 C ATOM 884 C ALA A 57 -4.604 -17.246 0.680 1.00 0.00 C ATOM 885 O ALA A 57 -3.407 -17.534 0.694 1.00 0.00 O ATOM 886 CB ALA A 57 -5.625 -16.533 2.850 1.00 0.00 C ATOM 0 H ALA A 57 -4.420 -18.723 3.261 1.00 0.00 H new ATOM 0 HA ALA A 57 -6.509 -17.854 1.417 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.981 -15.627 2.359 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.325 -16.819 3.635 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -4.645 -16.346 3.289 1.00 0.00 H new ATOM 892 N VAL A 58 -5.175 -16.573 -0.313 1.00 0.00 N ATOM 893 CA VAL A 58 -4.411 -16.123 -1.470 1.00 0.00 C ATOM 894 C VAL A 58 -4.698 -14.659 -1.783 1.00 0.00 C ATOM 895 O VAL A 58 -5.725 -14.116 -1.376 1.00 0.00 O ATOM 896 CB VAL A 58 -4.724 -16.973 -2.716 1.00 0.00 C ATOM 897 CG1 VAL A 58 -4.615 -18.455 -2.392 1.00 0.00 C ATOM 898 CG2 VAL A 58 -6.106 -16.637 -3.256 1.00 0.00 C ATOM 0 H VAL A 58 -6.165 -16.327 -0.340 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.357 -16.238 -1.216 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.991 -16.739 -3.488 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.839 -19.040 -3.284 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -3.603 -18.680 -2.055 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.324 -18.708 -1.604 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -6.311 -17.247 -4.136 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -6.855 -16.841 -2.491 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.144 -15.582 -3.528 1.00 0.00 H new ATOM 908 N PHE A 59 -3.783 -14.024 -2.507 1.00 0.00 N ATOM 909 CA PHE A 59 -3.937 -12.621 -2.875 1.00 0.00 C ATOM 910 C PHE A 59 -3.076 -12.278 -4.087 1.00 0.00 C ATOM 911 O PHE A 59 -2.001 -12.847 -4.279 1.00 0.00 O ATOM 912 CB PHE A 59 -3.562 -11.719 -1.697 1.00 0.00 C ATOM 913 CG PHE A 59 -2.267 -12.102 -1.038 1.00 0.00 C ATOM 914 CD1 PHE A 59 -2.209 -13.180 -0.169 1.00 0.00 C ATOM 915 CD2 PHE A 59 -1.109 -11.383 -1.286 1.00 0.00 C ATOM 916 CE1 PHE A 59 -1.020 -13.535 0.439 1.00 0.00 C ATOM 917 CE2 PHE A 59 0.083 -11.734 -0.681 1.00 0.00 C ATOM 918 CZ PHE A 59 0.128 -12.810 0.183 1.00 0.00 C ATOM 0 H PHE A 59 -2.927 -14.458 -2.851 1.00 0.00 H new ATOM 0 HA PHE A 59 -4.982 -12.452 -3.135 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.492 -10.689 -2.046 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.361 -11.751 -0.956 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.104 -13.749 0.035 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -1.138 -10.539 -1.959 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.988 -14.378 1.113 1.00 0.00 H new ATOM 0 HE2 PHE A 59 0.979 -11.167 -0.884 1.00 0.00 H new ATOM 0 HZ PHE A 59 1.058 -13.084 0.658 1.00 0.00 H new ATOM 928 N HIS A 60 -3.556 -11.344 -4.902 1.00 0.00 N ATOM 929 CA HIS A 60 -2.831 -10.925 -6.096 1.00 0.00 C ATOM 930 C HIS A 60 -2.912 -9.412 -6.277 1.00 0.00 C ATOM 931 O HIS A 60 -3.947 -8.880 -6.679 1.00 0.00 O ATOM 932 CB HIS A 60 -3.392 -11.629 -7.332 1.00 0.00 C ATOM 933 CG HIS A 60 -2.744 -11.198 -8.612 1.00 0.00 C ATOM 934 ND1 HIS A 60 -2.925 -11.860 -9.808 1.00 0.00 N ATOM 935 CD2 HIS A 60 -1.915 -10.162 -8.879 1.00 0.00 C ATOM 936 CE1 HIS A 60 -2.234 -11.252 -10.755 1.00 0.00 C ATOM 937 NE2 HIS A 60 -1.612 -10.218 -10.217 1.00 0.00 N ATOM 0 H HIS A 60 -4.444 -10.863 -4.757 1.00 0.00 H new ATOM 0 HA HIS A 60 -1.784 -11.203 -5.972 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -3.267 -12.705 -7.215 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -4.463 -11.438 -7.394 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -1.558 -9.428 -8.172 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -2.186 -11.549 -11.792 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -1.005 -9.567 -10.715 1.00 0.00 H new ATOM 946 N ILE A 61 -1.814 -8.726 -5.978 1.00 0.00 N ATOM 947 CA ILE A 61 -1.761 -7.275 -6.108 1.00 0.00 C ATOM 948 C ILE A 61 -1.337 -6.865 -7.514 1.00 0.00 C ATOM 949 O ILE A 61 -0.502 -7.519 -8.139 1.00 0.00 O ATOM 950 CB ILE A 61 -0.789 -6.653 -5.089 1.00 0.00 C ATOM 951 CG1 ILE A 61 -1.031 -7.241 -3.697 1.00 0.00 C ATOM 952 CG2 ILE A 61 -0.944 -5.140 -5.064 1.00 0.00 C ATOM 953 CD1 ILE A 61 0.179 -7.168 -2.792 1.00 0.00 C ATOM 0 H ILE A 61 -0.949 -9.152 -5.644 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.767 -6.904 -5.911 1.00 0.00 H new ATOM 0 HB ILE A 61 0.231 -6.889 -5.391 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.859 -6.711 -3.226 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.336 -8.282 -3.799 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.250 -4.715 -4.339 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.728 -4.736 -6.053 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.965 -4.883 -4.782 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.065 -7.603 -1.823 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.003 -7.722 -3.241 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.472 -6.126 -2.659 1.00 0.00 H new ATOM 965 N LYS A 62 -1.917 -5.775 -8.007 1.00 0.00 N ATOM 966 CA LYS A 62 -1.598 -5.274 -9.338 1.00 0.00 C ATOM 967 C LYS A 62 -1.428 -3.758 -9.322 1.00 0.00 C ATOM 968 O LYS A 62 -2.299 -3.030 -8.844 1.00 0.00 O ATOM 969 CB LYS A 62 -2.696 -5.665 -10.330 1.00 0.00 C ATOM 970 CG LYS A 62 -2.184 -5.912 -11.738 1.00 0.00 C ATOM 971 CD LYS A 62 -1.843 -4.610 -12.444 1.00 0.00 C ATOM 972 CE LYS A 62 -0.874 -4.837 -13.594 1.00 0.00 C ATOM 973 NZ LYS A 62 -0.486 -3.559 -14.253 1.00 0.00 N ATOM 0 H LYS A 62 -2.611 -5.222 -7.504 1.00 0.00 H new ATOM 0 HA LYS A 62 -0.657 -5.724 -9.653 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -3.195 -6.565 -9.971 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -3.446 -4.875 -10.359 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.300 -6.548 -11.698 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.938 -6.451 -12.311 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -2.756 -4.150 -12.822 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.405 -3.912 -11.731 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.019 -5.340 -13.223 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.331 -5.500 -14.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.175 -3.756 -15.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -1.335 -3.091 -14.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -0.027 -2.936 -13.559 1.00 0.00 H new ATOM 987 N THR A 63 -0.302 -3.287 -9.849 1.00 0.00 N ATOM 988 CA THR A 63 -0.019 -1.858 -9.896 1.00 0.00 C ATOM 989 C THR A 63 1.101 -1.552 -10.884 1.00 0.00 C ATOM 990 O THR A 63 1.829 -2.449 -11.310 1.00 0.00 O ATOM 991 CB THR A 63 0.374 -1.318 -8.508 1.00 0.00 C ATOM 992 OG1 THR A 63 0.347 0.114 -8.514 1.00 0.00 O ATOM 993 CG2 THR A 63 1.760 -1.802 -8.111 1.00 0.00 C ATOM 0 H THR A 63 0.429 -3.875 -10.249 1.00 0.00 H new ATOM 0 HA THR A 63 -0.934 -1.365 -10.224 1.00 0.00 H new ATOM 0 HB THR A 63 -0.346 -1.692 -7.780 1.00 0.00 H new ATOM 0 HG1 THR A 63 0.438 0.447 -7.597 1.00 0.00 H new ATOM 0 HG21 THR A 63 2.015 -1.408 -7.127 1.00 0.00 H new ATOM 0 HG22 THR A 63 1.770 -2.891 -8.079 1.00 0.00 H new ATOM 0 HG23 THR A 63 2.490 -1.454 -8.842 1.00 0.00 H new ATOM 1001 N CYS A 64 1.234 -0.280 -11.243 1.00 0.00 N ATOM 1002 CA CYS A 64 2.266 0.145 -12.182 1.00 0.00 C ATOM 1003 C CYS A 64 3.005 1.373 -11.659 1.00 0.00 C ATOM 1004 O CYS A 64 2.509 2.081 -10.783 1.00 0.00 O ATOM 1005 CB CYS A 64 1.649 0.450 -13.548 1.00 0.00 C ATOM 1006 SG CYS A 64 2.835 1.037 -14.780 1.00 0.00 S ATOM 0 H CYS A 64 0.641 0.475 -10.898 1.00 0.00 H new ATOM 0 HA CYS A 64 2.982 -0.670 -12.289 1.00 0.00 H new ATOM 0 HB2 CYS A 64 1.165 -0.451 -13.925 1.00 0.00 H new ATOM 0 HB3 CYS A 64 0.870 1.202 -13.423 1.00 0.00 H new ATOM 0 HG CYS A 64 2.219 1.265 -15.902 1.00 0.00 H new ATOM 1012 N ARG A 65 4.194 1.617 -12.201 1.00 0.00 N ATOM 1013 CA ARG A 65 5.002 2.757 -11.786 1.00 0.00 C ATOM 1014 C ARG A 65 4.192 4.049 -11.846 1.00 0.00 C ATOM 1015 O ARG A 65 3.211 4.161 -12.581 1.00 0.00 O ATOM 1016 CB ARG A 65 6.243 2.879 -12.673 1.00 0.00 C ATOM 1017 CG ARG A 65 6.000 3.659 -13.955 1.00 0.00 C ATOM 1018 CD ARG A 65 7.163 3.513 -14.924 1.00 0.00 C ATOM 1019 NE ARG A 65 6.883 4.139 -16.214 1.00 0.00 N ATOM 1020 CZ ARG A 65 7.066 5.431 -16.459 1.00 0.00 C ATOM 1021 NH1 ARG A 65 7.528 6.231 -15.507 1.00 0.00 N ATOM 1022 NH2 ARG A 65 6.788 5.926 -17.658 1.00 0.00 N ATOM 0 H ARG A 65 4.618 1.041 -12.928 1.00 0.00 H new ATOM 0 HA ARG A 65 5.315 2.592 -10.755 1.00 0.00 H new ATOM 0 HB2 ARG A 65 7.038 3.365 -12.107 1.00 0.00 H new ATOM 0 HB3 ARG A 65 6.598 1.880 -12.927 1.00 0.00 H new ATOM 0 HG2 ARG A 65 5.084 3.307 -14.429 1.00 0.00 H new ATOM 0 HG3 ARG A 65 5.852 4.713 -13.719 1.00 0.00 H new ATOM 0 HD2 ARG A 65 8.056 3.963 -14.489 1.00 0.00 H new ATOM 0 HD3 ARG A 65 7.379 2.455 -15.074 1.00 0.00 H new ATOM 0 HE ARG A 65 6.527 3.551 -16.968 1.00 0.00 H new ATOM 0 HH11 ARG A 65 7.744 5.854 -14.584 1.00 0.00 H new ATOM 0 HH12 ARG A 65 7.668 7.223 -15.698 1.00 0.00 H new ATOM 0 HH21 ARG A 65 6.433 5.314 -18.393 1.00 0.00 H new ATOM 0 HH22 ARG A 65 6.929 6.919 -17.845 1.00 0.00 H new ATOM 1036 N PRO A 66 4.610 5.047 -11.055 1.00 0.00 N ATOM 1037 CA PRO A 66 5.777 4.925 -10.175 1.00 0.00 C ATOM 1038 C PRO A 66 5.526 3.974 -9.009 1.00 0.00 C ATOM 1039 O PRO A 66 6.406 3.752 -8.177 1.00 0.00 O ATOM 1040 CB PRO A 66 5.988 6.352 -9.665 1.00 0.00 C ATOM 1041 CG PRO A 66 4.646 6.991 -9.760 1.00 0.00 C ATOM 1042 CD PRO A 66 3.977 6.373 -10.956 1.00 0.00 C ATOM 0 HA PRO A 66 6.640 4.513 -10.698 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.356 6.355 -8.639 1.00 0.00 H new ATOM 0 HB3 PRO A 66 6.723 6.884 -10.269 1.00 0.00 H new ATOM 0 HG2 PRO A 66 4.065 6.816 -8.854 1.00 0.00 H new ATOM 0 HG3 PRO A 66 4.735 8.071 -9.878 1.00 0.00 H new ATOM 0 HD2 PRO A 66 2.899 6.294 -10.817 1.00 0.00 H new ATOM 0 HD3 PRO A 66 4.140 6.964 -11.857 1.00 0.00 H new ATOM 1050 N PHE A 67 4.322 3.416 -8.955 1.00 0.00 N ATOM 1051 CA PHE A 67 3.956 2.489 -7.891 1.00 0.00 C ATOM 1052 C PHE A 67 4.172 1.044 -8.329 1.00 0.00 C ATOM 1053 O PHE A 67 3.593 0.590 -9.317 1.00 0.00 O ATOM 1054 CB PHE A 67 2.496 2.698 -7.484 1.00 0.00 C ATOM 1055 CG PHE A 67 2.311 3.757 -6.435 1.00 0.00 C ATOM 1056 CD1 PHE A 67 2.746 3.549 -5.137 1.00 0.00 C ATOM 1057 CD2 PHE A 67 1.702 4.962 -6.748 1.00 0.00 C ATOM 1058 CE1 PHE A 67 2.578 4.522 -4.169 1.00 0.00 C ATOM 1059 CE2 PHE A 67 1.531 5.938 -5.786 1.00 0.00 C ATOM 1060 CZ PHE A 67 1.969 5.718 -4.494 1.00 0.00 C ATOM 0 H PHE A 67 3.583 3.590 -9.636 1.00 0.00 H new ATOM 0 HA PHE A 67 4.598 2.689 -7.033 1.00 0.00 H new ATOM 0 HB2 PHE A 67 1.916 2.967 -8.367 1.00 0.00 H new ATOM 0 HB3 PHE A 67 2.092 1.756 -7.113 1.00 0.00 H new ATOM 0 HD1 PHE A 67 3.222 2.615 -4.877 1.00 0.00 H new ATOM 0 HD2 PHE A 67 1.357 5.140 -7.756 1.00 0.00 H new ATOM 0 HE1 PHE A 67 2.922 4.347 -3.161 1.00 0.00 H new ATOM 0 HE2 PHE A 67 1.055 6.873 -6.043 1.00 0.00 H new ATOM 0 HZ PHE A 67 1.835 6.480 -3.740 1.00 0.00 H new ATOM 1070 N SER A 68 5.009 0.325 -7.588 1.00 0.00 N ATOM 1071 CA SER A 68 5.306 -1.067 -7.903 1.00 0.00 C ATOM 1072 C SER A 68 5.783 -1.815 -6.661 1.00 0.00 C ATOM 1073 O SER A 68 6.622 -1.318 -5.909 1.00 0.00 O ATOM 1074 CB SER A 68 6.368 -1.149 -9.000 1.00 0.00 C ATOM 1075 OG SER A 68 5.896 -0.582 -10.210 1.00 0.00 O ATOM 0 H SER A 68 5.493 0.684 -6.765 1.00 0.00 H new ATOM 0 HA SER A 68 4.389 -1.536 -8.260 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.269 -0.628 -8.678 1.00 0.00 H new ATOM 0 HB3 SER A 68 6.644 -2.190 -9.166 1.00 0.00 H new ATOM 0 HG SER A 68 6.594 -0.645 -10.895 1.00 0.00 H new ATOM 1081 N ILE A 69 5.242 -3.010 -6.454 1.00 0.00 N ATOM 1082 CA ILE A 69 5.613 -3.827 -5.304 1.00 0.00 C ATOM 1083 C ILE A 69 5.903 -5.264 -5.722 1.00 0.00 C ATOM 1084 O ILE A 69 5.614 -5.663 -6.850 1.00 0.00 O ATOM 1085 CB ILE A 69 4.505 -3.829 -4.235 1.00 0.00 C ATOM 1086 CG1 ILE A 69 3.480 -4.925 -4.532 1.00 0.00 C ATOM 1087 CG2 ILE A 69 3.829 -2.468 -4.170 1.00 0.00 C ATOM 1088 CD1 ILE A 69 2.802 -4.770 -5.876 1.00 0.00 C ATOM 0 H ILE A 69 4.546 -3.435 -7.067 1.00 0.00 H new ATOM 0 HA ILE A 69 6.515 -3.385 -4.880 1.00 0.00 H new ATOM 0 HB ILE A 69 4.958 -4.035 -3.265 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.976 -5.895 -4.494 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.722 -4.924 -3.749 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.048 -2.486 -3.410 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.567 -1.707 -3.915 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.387 -2.235 -5.139 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.089 -5.582 -6.019 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.277 -3.815 -5.911 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.551 -4.802 -6.667 1.00 0.00 H new ATOM 1100 N GLU A 70 6.474 -6.038 -4.804 1.00 0.00 N ATOM 1101 CA GLU A 70 6.803 -7.432 -5.078 1.00 0.00 C ATOM 1102 C GLU A 70 6.927 -8.227 -3.781 1.00 0.00 C ATOM 1103 O GLU A 70 7.413 -7.731 -2.764 1.00 0.00 O ATOM 1104 CB GLU A 70 8.106 -7.526 -5.873 1.00 0.00 C ATOM 1105 CG GLU A 70 9.348 -7.601 -5.000 1.00 0.00 C ATOM 1106 CD GLU A 70 10.565 -6.986 -5.663 1.00 0.00 C ATOM 1107 OE1 GLU A 70 10.387 -6.123 -6.548 1.00 0.00 O ATOM 1108 OE2 GLU A 70 11.696 -7.367 -5.295 1.00 0.00 O ATOM 0 H GLU A 70 6.718 -5.723 -3.865 1.00 0.00 H new ATOM 0 HA GLU A 70 5.994 -7.859 -5.670 1.00 0.00 H new ATOM 0 HB2 GLU A 70 8.068 -8.407 -6.513 1.00 0.00 H new ATOM 0 HB3 GLU A 70 8.185 -6.659 -6.529 1.00 0.00 H new ATOM 0 HG2 GLU A 70 9.156 -7.090 -4.057 1.00 0.00 H new ATOM 0 HG3 GLU A 70 9.557 -8.644 -4.761 1.00 0.00 H new ATOM 1115 N PRO A 71 6.476 -9.489 -3.816 1.00 0.00 N ATOM 1116 CA PRO A 71 5.895 -10.090 -5.021 1.00 0.00 C ATOM 1117 C PRO A 71 4.536 -9.492 -5.368 1.00 0.00 C ATOM 1118 O PRO A 71 3.800 -9.046 -4.488 1.00 0.00 O ATOM 1119 CB PRO A 71 5.749 -11.567 -4.646 1.00 0.00 C ATOM 1120 CG PRO A 71 5.647 -11.572 -3.160 1.00 0.00 C ATOM 1121 CD PRO A 71 6.499 -10.429 -2.682 1.00 0.00 C ATOM 0 HA PRO A 71 6.515 -9.919 -5.901 1.00 0.00 H new ATOM 0 HB2 PRO A 71 4.863 -12.006 -5.105 1.00 0.00 H new ATOM 0 HB3 PRO A 71 6.606 -12.148 -4.986 1.00 0.00 H new ATOM 0 HG2 PRO A 71 4.613 -11.448 -2.840 1.00 0.00 H new ATOM 0 HG3 PRO A 71 5.997 -12.518 -2.748 1.00 0.00 H new ATOM 0 HD2 PRO A 71 6.094 -9.977 -1.777 1.00 0.00 H new ATOM 0 HD3 PRO A 71 7.513 -10.754 -2.450 1.00 0.00 H new ATOM 1129 N ALA A 72 4.210 -9.485 -6.657 1.00 0.00 N ATOM 1130 CA ALA A 72 2.938 -8.944 -7.120 1.00 0.00 C ATOM 1131 C ALA A 72 1.781 -9.864 -6.746 1.00 0.00 C ATOM 1132 O ALA A 72 0.634 -9.427 -6.650 1.00 0.00 O ATOM 1133 CB ALA A 72 2.975 -8.724 -8.625 1.00 0.00 C ATOM 0 H ALA A 72 4.809 -9.848 -7.398 1.00 0.00 H new ATOM 0 HA ALA A 72 2.778 -7.985 -6.627 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.019 -8.320 -8.957 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.771 -8.021 -8.870 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.162 -9.673 -9.127 1.00 0.00 H new ATOM 1139 N ILE A 73 2.089 -11.140 -6.537 1.00 0.00 N ATOM 1140 CA ILE A 73 1.075 -12.121 -6.173 1.00 0.00 C ATOM 1141 C ILE A 73 1.666 -13.229 -5.308 1.00 0.00 C ATOM 1142 O ILE A 73 2.841 -13.570 -5.435 1.00 0.00 O ATOM 1143 CB ILE A 73 0.427 -12.750 -7.421 1.00 0.00 C ATOM 1144 CG1 ILE A 73 -0.578 -13.829 -7.012 1.00 0.00 C ATOM 1145 CG2 ILE A 73 1.495 -13.332 -8.335 1.00 0.00 C ATOM 1146 CD1 ILE A 73 -1.393 -14.364 -8.168 1.00 0.00 C ATOM 0 H ILE A 73 3.033 -11.518 -6.614 1.00 0.00 H new ATOM 0 HA ILE A 73 0.311 -11.589 -5.605 1.00 0.00 H new ATOM 0 HB ILE A 73 -0.107 -11.972 -7.967 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.042 -14.654 -6.543 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.253 -13.419 -6.261 1.00 0.00 H new ATOM 0 HG21 ILE A 73 1.022 -13.773 -9.213 1.00 0.00 H new ATOM 0 HG22 ILE A 73 2.176 -12.541 -8.649 1.00 0.00 H new ATOM 0 HG23 ILE A 73 2.053 -14.100 -7.799 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -2.084 -15.125 -7.805 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.956 -13.550 -8.624 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.727 -14.804 -8.910 1.00 0.00 H new ATOM 1158 N GLY A 74 0.842 -13.789 -4.428 1.00 0.00 N ATOM 1159 CA GLY A 74 1.300 -14.854 -3.555 1.00 0.00 C ATOM 1160 C GLY A 74 0.249 -15.268 -2.544 1.00 0.00 C ATOM 1161 O GLY A 74 -0.657 -14.497 -2.227 1.00 0.00 O ATOM 0 H GLY A 74 -0.135 -13.524 -4.304 1.00 0.00 H new ATOM 0 HA2 GLY A 74 1.580 -15.718 -4.157 1.00 0.00 H new ATOM 0 HA3 GLY A 74 2.197 -14.528 -3.029 1.00 0.00 H new ATOM 1165 N THR A 75 0.368 -16.491 -2.037 1.00 0.00 N ATOM 1166 CA THR A 75 -0.580 -17.008 -1.059 1.00 0.00 C ATOM 1167 C THR A 75 0.050 -17.094 0.326 1.00 0.00 C ATOM 1168 O THR A 75 1.274 -17.097 0.463 1.00 0.00 O ATOM 1169 CB THR A 75 -1.099 -18.402 -1.462 1.00 0.00 C ATOM 1170 OG1 THR A 75 -0.091 -19.389 -1.220 1.00 0.00 O ATOM 1171 CG2 THR A 75 -1.499 -18.427 -2.929 1.00 0.00 C ATOM 0 H THR A 75 1.112 -17.142 -2.288 1.00 0.00 H new ATOM 0 HA THR A 75 -1.417 -16.310 -1.031 1.00 0.00 H new ATOM 0 HB THR A 75 -1.978 -18.626 -0.858 1.00 0.00 H new ATOM 0 HG1 THR A 75 -0.429 -20.272 -1.477 1.00 0.00 H new ATOM 0 HG21 THR A 75 -1.862 -19.421 -3.190 1.00 0.00 H new ATOM 0 HG22 THR A 75 -2.288 -17.695 -3.104 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.634 -18.183 -3.546 1.00 0.00 H new ATOM 1179 N LEU A 76 -0.792 -17.166 1.351 1.00 0.00 N ATOM 1180 CA LEU A 76 -0.316 -17.253 2.727 1.00 0.00 C ATOM 1181 C LEU A 76 -1.093 -18.310 3.506 1.00 0.00 C ATOM 1182 O LEU A 76 -2.317 -18.394 3.406 1.00 0.00 O ATOM 1183 CB LEU A 76 -0.446 -15.895 3.420 1.00 0.00 C ATOM 1184 CG LEU A 76 0.215 -15.776 4.794 1.00 0.00 C ATOM 1185 CD1 LEU A 76 1.720 -15.963 4.680 1.00 0.00 C ATOM 1186 CD2 LEU A 76 -0.112 -14.432 5.428 1.00 0.00 C ATOM 0 H LEU A 76 -1.807 -17.166 1.255 1.00 0.00 H new ATOM 0 HA LEU A 76 0.734 -17.543 2.704 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -0.019 -15.134 2.767 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.506 -15.665 3.528 1.00 0.00 H new ATOM 0 HG LEU A 76 -0.180 -16.563 5.436 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.173 -15.875 5.667 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.934 -16.950 4.269 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.133 -15.199 4.022 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.366 -14.365 6.405 1.00 0.00 H new ATOM 0 HD22 LEU A 76 0.255 -13.629 4.788 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.192 -14.338 5.545 1.00 0.00 H new ATOM 1198 N ASN A 77 -0.374 -19.113 4.283 1.00 0.00 N ATOM 1199 CA ASN A 77 -0.996 -20.164 5.080 1.00 0.00 C ATOM 1200 C ASN A 77 -1.508 -19.609 6.406 1.00 0.00 C ATOM 1201 O ASN A 77 -1.005 -18.603 6.907 1.00 0.00 O ATOM 1202 CB ASN A 77 0.001 -21.295 5.339 1.00 0.00 C ATOM 1203 CG ASN A 77 0.460 -21.965 4.058 1.00 0.00 C ATOM 1204 OD1 ASN A 77 -0.280 -22.738 3.450 1.00 0.00 O ATOM 1205 ND2 ASN A 77 1.686 -21.671 3.643 1.00 0.00 N ATOM 0 H ASN A 77 0.640 -19.056 4.378 1.00 0.00 H new ATOM 0 HA ASN A 77 -1.843 -20.558 4.519 1.00 0.00 H new ATOM 0 HB2 ASN A 77 0.867 -20.898 5.869 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -0.458 -22.039 5.990 1.00 0.00 H new ATOM 0 HD21 ASN A 77 2.050 -22.092 2.788 1.00 0.00 H new ATOM 0 HD22 ASN A 77 2.265 -21.024 4.179 1.00 0.00 H new ATOM 1212 N VAL A 78 -2.511 -20.273 6.972 1.00 0.00 N ATOM 1213 CA VAL A 78 -3.091 -19.849 8.240 1.00 0.00 C ATOM 1214 C VAL A 78 -2.077 -19.965 9.373 1.00 0.00 C ATOM 1215 O VAL A 78 -1.321 -20.932 9.447 1.00 0.00 O ATOM 1216 CB VAL A 78 -4.338 -20.680 8.594 1.00 0.00 C ATOM 1217 CG1 VAL A 78 -4.918 -20.232 9.927 1.00 0.00 C ATOM 1218 CG2 VAL A 78 -5.378 -20.577 7.489 1.00 0.00 C ATOM 0 H VAL A 78 -2.939 -21.108 6.571 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.382 -18.805 8.122 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.042 -21.725 8.687 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -5.799 -20.831 10.160 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.172 -20.363 10.711 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.200 -19.181 9.866 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.252 -21.170 7.756 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -5.672 -19.535 7.362 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.956 -20.952 6.556 1.00 0.00 H new ATOM 1228 N GLY A 79 -2.068 -18.971 10.257 1.00 0.00 N ATOM 1229 CA GLY A 79 -1.144 -18.982 11.376 1.00 0.00 C ATOM 1230 C GLY A 79 0.199 -18.373 11.024 1.00 0.00 C ATOM 1231 O GLY A 79 0.779 -17.633 11.818 1.00 0.00 O ATOM 0 H GLY A 79 -2.684 -18.159 10.218 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -1.581 -18.433 12.210 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -0.997 -20.008 11.712 1.00 0.00 H new ATOM 1235 N GLU A 80 0.695 -18.686 9.831 1.00 0.00 N ATOM 1236 CA GLU A 80 1.979 -18.166 9.378 1.00 0.00 C ATOM 1237 C GLU A 80 1.839 -16.732 8.876 1.00 0.00 C ATOM 1238 O GLU A 80 0.730 -16.212 8.751 1.00 0.00 O ATOM 1239 CB GLU A 80 2.551 -19.052 8.269 1.00 0.00 C ATOM 1240 CG GLU A 80 2.924 -20.449 8.737 1.00 0.00 C ATOM 1241 CD GLU A 80 4.006 -20.438 9.799 1.00 0.00 C ATOM 1242 OE1 GLU A 80 5.165 -20.114 9.464 1.00 0.00 O ATOM 1243 OE2 GLU A 80 3.694 -20.753 10.967 1.00 0.00 O ATOM 0 H GLU A 80 0.227 -19.297 9.161 1.00 0.00 H new ATOM 0 HA GLU A 80 2.663 -18.171 10.227 1.00 0.00 H new ATOM 0 HB2 GLU A 80 1.819 -19.131 7.465 1.00 0.00 H new ATOM 0 HB3 GLU A 80 3.435 -18.570 7.850 1.00 0.00 H new ATOM 0 HG2 GLU A 80 2.037 -20.945 9.132 1.00 0.00 H new ATOM 0 HG3 GLU A 80 3.264 -21.036 7.883 1.00 0.00 H new ATOM 1250 N SER A 81 2.972 -16.097 8.592 1.00 0.00 N ATOM 1251 CA SER A 81 2.977 -14.722 8.109 1.00 0.00 C ATOM 1252 C SER A 81 4.083 -14.512 7.079 1.00 0.00 C ATOM 1253 O SER A 81 4.896 -15.403 6.835 1.00 0.00 O ATOM 1254 CB SER A 81 3.160 -13.749 9.275 1.00 0.00 C ATOM 1255 OG SER A 81 2.377 -14.138 10.391 1.00 0.00 O ATOM 0 H SER A 81 3.898 -16.513 8.688 1.00 0.00 H new ATOM 0 HA SER A 81 2.017 -14.528 7.631 1.00 0.00 H new ATOM 0 HB2 SER A 81 4.211 -13.711 9.560 1.00 0.00 H new ATOM 0 HB3 SER A 81 2.878 -12.744 8.962 1.00 0.00 H new ATOM 0 HG SER A 81 2.512 -13.501 11.124 1.00 0.00 H new ATOM 1261 N MET A 82 4.106 -13.327 6.477 1.00 0.00 N ATOM 1262 CA MET A 82 5.112 -12.998 5.474 1.00 0.00 C ATOM 1263 C MET A 82 5.295 -11.488 5.362 1.00 0.00 C ATOM 1264 O MET A 82 4.525 -10.717 5.934 1.00 0.00 O ATOM 1265 CB MET A 82 4.716 -13.578 4.115 1.00 0.00 C ATOM 1266 CG MET A 82 3.391 -13.050 3.592 1.00 0.00 C ATOM 1267 SD MET A 82 2.625 -14.160 2.394 1.00 0.00 S ATOM 1268 CE MET A 82 3.416 -13.622 0.880 1.00 0.00 C ATOM 0 H MET A 82 3.439 -12.579 6.667 1.00 0.00 H new ATOM 0 HA MET A 82 6.059 -13.438 5.787 1.00 0.00 H new ATOM 0 HB2 MET A 82 5.499 -13.352 3.391 1.00 0.00 H new ATOM 0 HB3 MET A 82 4.659 -14.664 4.195 1.00 0.00 H new ATOM 0 HG2 MET A 82 2.709 -12.898 4.429 1.00 0.00 H new ATOM 0 HG3 MET A 82 3.550 -12.076 3.129 1.00 0.00 H new ATOM 0 HE1 MET A 82 2.777 -13.862 0.030 1.00 0.00 H new ATOM 0 HE2 MET A 82 3.580 -12.545 0.918 1.00 0.00 H new ATOM 0 HE3 MET A 82 4.373 -14.131 0.769 1.00 0.00 H new ATOM 1278 N GLN A 83 6.319 -11.074 4.622 1.00 0.00 N ATOM 1279 CA GLN A 83 6.602 -9.656 4.436 1.00 0.00 C ATOM 1280 C GLN A 83 6.487 -9.265 2.967 1.00 0.00 C ATOM 1281 O GLN A 83 6.958 -9.983 2.084 1.00 0.00 O ATOM 1282 CB GLN A 83 8.001 -9.322 4.957 1.00 0.00 C ATOM 1283 CG GLN A 83 8.081 -9.231 6.472 1.00 0.00 C ATOM 1284 CD GLN A 83 9.491 -9.424 6.995 1.00 0.00 C ATOM 1285 OE1 GLN A 83 10.091 -10.485 6.820 1.00 0.00 O ATOM 1286 NE2 GLN A 83 10.029 -8.395 7.640 1.00 0.00 N ATOM 0 H GLN A 83 6.966 -11.700 4.142 1.00 0.00 H new ATOM 0 HA GLN A 83 5.865 -9.087 5.002 1.00 0.00 H new ATOM 0 HB2 GLN A 83 8.700 -10.083 4.610 1.00 0.00 H new ATOM 0 HB3 GLN A 83 8.323 -8.373 4.527 1.00 0.00 H new ATOM 0 HG2 GLN A 83 7.708 -8.259 6.794 1.00 0.00 H new ATOM 0 HG3 GLN A 83 7.428 -9.984 6.912 1.00 0.00 H new ATOM 0 HE21 GLN A 83 9.495 -7.534 7.762 1.00 0.00 H new ATOM 0 HE22 GLN A 83 10.976 -8.466 8.013 1.00 0.00 H new ATOM 1295 N LEU A 84 5.857 -8.124 2.711 1.00 0.00 N ATOM 1296 CA LEU A 84 5.679 -7.638 1.347 1.00 0.00 C ATOM 1297 C LEU A 84 6.419 -6.320 1.138 1.00 0.00 C ATOM 1298 O LEU A 84 6.095 -5.310 1.763 1.00 0.00 O ATOM 1299 CB LEU A 84 4.191 -7.455 1.040 1.00 0.00 C ATOM 1300 CG LEU A 84 3.343 -8.727 1.047 1.00 0.00 C ATOM 1301 CD1 LEU A 84 1.868 -8.386 0.897 1.00 0.00 C ATOM 1302 CD2 LEU A 84 3.789 -9.672 -0.059 1.00 0.00 C ATOM 0 H LEU A 84 5.461 -7.518 3.430 1.00 0.00 H new ATOM 0 HA LEU A 84 6.096 -8.380 0.666 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.773 -6.760 1.768 1.00 0.00 H new ATOM 0 HB3 LEU A 84 4.098 -6.985 0.061 1.00 0.00 H new ATOM 0 HG LEU A 84 3.483 -9.229 2.004 1.00 0.00 H new ATOM 0 HD11 LEU A 84 1.280 -9.304 0.904 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.556 -7.749 1.724 1.00 0.00 H new ATOM 0 HD13 LEU A 84 1.710 -7.861 -0.045 1.00 0.00 H new ATOM 0 HD21 LEU A 84 3.174 -10.572 -0.039 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.679 -9.179 -1.025 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.834 -9.943 0.093 1.00 0.00 H new ATOM 1314 N GLU A 85 7.411 -6.339 0.254 1.00 0.00 N ATOM 1315 CA GLU A 85 8.196 -5.145 -0.038 1.00 0.00 C ATOM 1316 C GLU A 85 7.516 -4.295 -1.108 1.00 0.00 C ATOM 1317 O GLU A 85 7.113 -4.801 -2.155 1.00 0.00 O ATOM 1318 CB GLU A 85 9.603 -5.532 -0.497 1.00 0.00 C ATOM 1319 CG GLU A 85 10.593 -5.694 0.645 1.00 0.00 C ATOM 1320 CD GLU A 85 11.940 -6.212 0.180 1.00 0.00 C ATOM 1321 OE1 GLU A 85 12.691 -5.435 -0.446 1.00 0.00 O ATOM 1322 OE2 GLU A 85 12.242 -7.395 0.442 1.00 0.00 O ATOM 0 H GLU A 85 7.690 -7.167 -0.272 1.00 0.00 H new ATOM 0 HA GLU A 85 8.269 -4.557 0.877 1.00 0.00 H new ATOM 0 HB2 GLU A 85 9.550 -6.466 -1.056 1.00 0.00 H new ATOM 0 HB3 GLU A 85 9.974 -4.771 -1.183 1.00 0.00 H new ATOM 0 HG2 GLU A 85 10.729 -4.733 1.142 1.00 0.00 H new ATOM 0 HG3 GLU A 85 10.180 -6.380 1.385 1.00 0.00 H new ATOM 1329 N VAL A 86 7.390 -3.000 -0.835 1.00 0.00 N ATOM 1330 CA VAL A 86 6.760 -2.079 -1.773 1.00 0.00 C ATOM 1331 C VAL A 86 7.768 -1.074 -2.318 1.00 0.00 C ATOM 1332 O VAL A 86 8.589 -0.538 -1.574 1.00 0.00 O ATOM 1333 CB VAL A 86 5.596 -1.316 -1.114 1.00 0.00 C ATOM 1334 CG1 VAL A 86 5.098 -0.207 -2.028 1.00 0.00 C ATOM 1335 CG2 VAL A 86 4.467 -2.272 -0.758 1.00 0.00 C ATOM 0 H VAL A 86 7.716 -2.565 0.028 1.00 0.00 H new ATOM 0 HA VAL A 86 6.371 -2.681 -2.594 1.00 0.00 H new ATOM 0 HB VAL A 86 5.959 -0.859 -0.193 1.00 0.00 H new ATOM 0 HG11 VAL A 86 4.276 0.321 -1.545 1.00 0.00 H new ATOM 0 HG12 VAL A 86 5.910 0.492 -2.228 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.751 -0.638 -2.967 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.653 -1.716 -0.293 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.104 -2.759 -1.663 1.00 0.00 H new ATOM 0 HG23 VAL A 86 4.835 -3.026 -0.062 1.00 0.00 H new ATOM 1345 N GLU A 87 7.699 -0.822 -3.621 1.00 0.00 N ATOM 1346 CA GLU A 87 8.607 0.120 -4.266 1.00 0.00 C ATOM 1347 C GLU A 87 7.834 1.268 -4.909 1.00 0.00 C ATOM 1348 O GLU A 87 6.859 1.049 -5.627 1.00 0.00 O ATOM 1349 CB GLU A 87 9.453 -0.594 -5.322 1.00 0.00 C ATOM 1350 CG GLU A 87 10.742 0.134 -5.664 1.00 0.00 C ATOM 1351 CD GLU A 87 11.263 -0.218 -7.044 1.00 0.00 C ATOM 1352 OE1 GLU A 87 11.184 -1.406 -7.421 1.00 0.00 O ATOM 1353 OE2 GLU A 87 11.749 0.693 -7.745 1.00 0.00 O ATOM 0 H GLU A 87 7.024 -1.256 -4.251 1.00 0.00 H new ATOM 0 HA GLU A 87 9.265 0.532 -3.501 1.00 0.00 H new ATOM 0 HB2 GLU A 87 9.695 -1.595 -4.965 1.00 0.00 H new ATOM 0 HB3 GLU A 87 8.861 -0.713 -6.230 1.00 0.00 H new ATOM 0 HG2 GLU A 87 10.574 1.209 -5.607 1.00 0.00 H new ATOM 0 HG3 GLU A 87 11.501 -0.110 -4.920 1.00 0.00 H new ATOM 1360 N PHE A 88 8.276 2.493 -4.644 1.00 0.00 N ATOM 1361 CA PHE A 88 7.626 3.676 -5.195 1.00 0.00 C ATOM 1362 C PHE A 88 8.596 4.853 -5.252 1.00 0.00 C ATOM 1363 O PHE A 88 8.985 5.399 -4.221 1.00 0.00 O ATOM 1364 CB PHE A 88 6.403 4.049 -4.355 1.00 0.00 C ATOM 1365 CG PHE A 88 6.069 5.513 -4.399 1.00 0.00 C ATOM 1366 CD1 PHE A 88 6.648 6.396 -3.502 1.00 0.00 C ATOM 1367 CD2 PHE A 88 5.178 6.006 -5.338 1.00 0.00 C ATOM 1368 CE1 PHE A 88 6.343 7.743 -3.540 1.00 0.00 C ATOM 1369 CE2 PHE A 88 4.868 7.353 -5.380 1.00 0.00 C ATOM 1370 CZ PHE A 88 5.453 8.223 -4.481 1.00 0.00 C ATOM 0 H PHE A 88 9.082 2.692 -4.051 1.00 0.00 H new ATOM 0 HA PHE A 88 7.304 3.444 -6.210 1.00 0.00 H new ATOM 0 HB2 PHE A 88 5.543 3.478 -4.706 1.00 0.00 H new ATOM 0 HB3 PHE A 88 6.580 3.756 -3.320 1.00 0.00 H new ATOM 0 HD1 PHE A 88 7.346 6.027 -2.765 1.00 0.00 H new ATOM 0 HD2 PHE A 88 4.720 5.331 -6.046 1.00 0.00 H new ATOM 0 HE1 PHE A 88 6.800 8.420 -2.834 1.00 0.00 H new ATOM 0 HE2 PHE A 88 4.169 7.724 -6.115 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.215 9.276 -4.514 1.00 0.00 H new ATOM 1380 N GLU A 89 8.981 5.236 -6.466 1.00 0.00 N ATOM 1381 CA GLU A 89 9.906 6.347 -6.657 1.00 0.00 C ATOM 1382 C GLU A 89 9.174 7.582 -7.175 1.00 0.00 C ATOM 1383 O GLU A 89 8.843 7.688 -8.356 1.00 0.00 O ATOM 1384 CB GLU A 89 11.017 5.952 -7.633 1.00 0.00 C ATOM 1385 CG GLU A 89 12.011 7.068 -7.907 1.00 0.00 C ATOM 1386 CD GLU A 89 12.918 6.765 -9.084 1.00 0.00 C ATOM 1387 OE1 GLU A 89 13.892 6.005 -8.901 1.00 0.00 O ATOM 1388 OE2 GLU A 89 12.654 7.286 -10.187 1.00 0.00 O ATOM 0 H GLU A 89 8.667 4.794 -7.330 1.00 0.00 H new ATOM 0 HA GLU A 89 10.349 6.588 -5.691 1.00 0.00 H new ATOM 0 HB2 GLU A 89 11.552 5.091 -7.233 1.00 0.00 H new ATOM 0 HB3 GLU A 89 10.567 5.638 -8.575 1.00 0.00 H new ATOM 0 HG2 GLU A 89 11.468 7.993 -8.100 1.00 0.00 H new ATOM 0 HG3 GLU A 89 12.619 7.234 -7.018 1.00 0.00 H new ATOM 1395 N PRO A 90 8.915 8.538 -6.271 1.00 0.00 N ATOM 1396 CA PRO A 90 8.220 9.782 -6.612 1.00 0.00 C ATOM 1397 C PRO A 90 9.070 10.700 -7.485 1.00 0.00 C ATOM 1398 O PRO A 90 9.666 11.659 -6.995 1.00 0.00 O ATOM 1399 CB PRO A 90 7.961 10.429 -5.249 1.00 0.00 C ATOM 1400 CG PRO A 90 9.021 9.877 -4.360 1.00 0.00 C ATOM 1401 CD PRO A 90 9.282 8.478 -4.846 1.00 0.00 C ATOM 0 HA PRO A 90 7.315 9.598 -7.190 1.00 0.00 H new ATOM 0 HB2 PRO A 90 8.021 11.516 -5.309 1.00 0.00 H new ATOM 0 HB3 PRO A 90 6.966 10.185 -4.877 1.00 0.00 H new ATOM 0 HG2 PRO A 90 9.926 10.482 -4.409 1.00 0.00 H new ATOM 0 HG3 PRO A 90 8.696 9.874 -3.320 1.00 0.00 H new ATOM 0 HD2 PRO A 90 10.326 8.194 -4.711 1.00 0.00 H new ATOM 0 HD3 PRO A 90 8.680 7.746 -4.307 1.00 0.00 H new ATOM 1409 N GLN A 91 9.119 10.400 -8.778 1.00 0.00 N ATOM 1410 CA GLN A 91 9.897 11.199 -9.718 1.00 0.00 C ATOM 1411 C GLN A 91 9.827 12.680 -9.361 1.00 0.00 C ATOM 1412 O GLN A 91 10.846 13.371 -9.334 1.00 0.00 O ATOM 1413 CB GLN A 91 9.390 10.983 -11.145 1.00 0.00 C ATOM 1414 CG GLN A 91 10.228 11.685 -12.201 1.00 0.00 C ATOM 1415 CD GLN A 91 11.504 10.935 -12.528 1.00 0.00 C ATOM 1416 OE1 GLN A 91 11.622 10.319 -13.588 1.00 0.00 O ATOM 1417 NE2 GLN A 91 12.469 10.982 -11.618 1.00 0.00 N ATOM 0 H GLN A 91 8.630 9.610 -9.199 1.00 0.00 H new ATOM 0 HA GLN A 91 10.937 10.877 -9.656 1.00 0.00 H new ATOM 0 HB2 GLN A 91 9.373 9.914 -11.358 1.00 0.00 H new ATOM 0 HB3 GLN A 91 8.362 11.338 -11.214 1.00 0.00 H new ATOM 0 HG2 GLN A 91 9.637 11.802 -13.109 1.00 0.00 H new ATOM 0 HG3 GLN A 91 10.479 12.687 -11.853 1.00 0.00 H new ATOM 0 HE21 GLN A 91 12.329 11.504 -10.753 1.00 0.00 H new ATOM 0 HE22 GLN A 91 13.350 10.496 -11.784 1.00 0.00 H new ATOM 1426 N SER A 92 8.619 13.162 -9.087 1.00 0.00 N ATOM 1427 CA SER A 92 8.416 14.562 -8.736 1.00 0.00 C ATOM 1428 C SER A 92 8.373 14.741 -7.221 1.00 0.00 C ATOM 1429 O SER A 92 7.816 13.912 -6.502 1.00 0.00 O ATOM 1430 CB SER A 92 7.120 15.084 -9.359 1.00 0.00 C ATOM 1431 OG SER A 92 5.997 14.367 -8.877 1.00 0.00 O ATOM 0 H SER A 92 7.766 12.603 -9.101 1.00 0.00 H new ATOM 0 HA SER A 92 9.256 15.135 -9.129 1.00 0.00 H new ATOM 0 HB2 SER A 92 7.004 16.143 -9.131 1.00 0.00 H new ATOM 0 HB3 SER A 92 7.173 14.996 -10.444 1.00 0.00 H new ATOM 0 HG SER A 92 5.912 14.503 -7.910 1.00 0.00 H new ATOM 1437 N VAL A 93 8.966 15.831 -6.743 1.00 0.00 N ATOM 1438 CA VAL A 93 8.995 16.121 -5.315 1.00 0.00 C ATOM 1439 C VAL A 93 7.649 16.649 -4.833 1.00 0.00 C ATOM 1440 O VAL A 93 7.111 17.607 -5.388 1.00 0.00 O ATOM 1441 CB VAL A 93 10.090 17.150 -4.973 1.00 0.00 C ATOM 1442 CG1 VAL A 93 9.908 18.416 -5.797 1.00 0.00 C ATOM 1443 CG2 VAL A 93 10.078 17.466 -3.485 1.00 0.00 C ATOM 0 H VAL A 93 9.433 16.527 -7.324 1.00 0.00 H new ATOM 0 HA VAL A 93 9.217 15.183 -4.807 1.00 0.00 H new ATOM 0 HB VAL A 93 11.060 16.719 -5.221 1.00 0.00 H new ATOM 0 HG11 VAL A 93 10.690 19.131 -5.542 1.00 0.00 H new ATOM 0 HG12 VAL A 93 9.971 18.172 -6.857 1.00 0.00 H new ATOM 0 HG13 VAL A 93 8.933 18.853 -5.582 1.00 0.00 H new ATOM 0 HG21 VAL A 93 10.858 18.194 -3.261 1.00 0.00 H new ATOM 0 HG22 VAL A 93 9.107 17.877 -3.208 1.00 0.00 H new ATOM 0 HG23 VAL A 93 10.261 16.553 -2.918 1.00 0.00 H new ATOM 1453 N GLY A 94 7.108 16.018 -3.796 1.00 0.00 N ATOM 1454 CA GLY A 94 5.828 16.439 -3.256 1.00 0.00 C ATOM 1455 C GLY A 94 5.064 15.295 -2.619 1.00 0.00 C ATOM 1456 O GLY A 94 5.613 14.214 -2.407 1.00 0.00 O ATOM 0 H GLY A 94 7.533 15.222 -3.320 1.00 0.00 H new ATOM 0 HA2 GLY A 94 5.989 17.222 -2.515 1.00 0.00 H new ATOM 0 HA3 GLY A 94 5.226 16.875 -4.053 1.00 0.00 H new ATOM 1460 N ASP A 95 3.794 15.534 -2.311 1.00 0.00 N ATOM 1461 CA ASP A 95 2.952 14.516 -1.693 1.00 0.00 C ATOM 1462 C ASP A 95 2.214 13.704 -2.754 1.00 0.00 C ATOM 1463 O ASP A 95 1.493 14.258 -3.584 1.00 0.00 O ATOM 1464 CB ASP A 95 1.948 15.164 -0.739 1.00 0.00 C ATOM 1465 CG ASP A 95 1.365 16.448 -1.296 1.00 0.00 C ATOM 1466 OD1 ASP A 95 0.493 16.366 -2.186 1.00 0.00 O ATOM 1467 OD2 ASP A 95 1.781 17.534 -0.842 1.00 0.00 O ATOM 0 H ASP A 95 3.325 16.424 -2.479 1.00 0.00 H new ATOM 0 HA ASP A 95 3.595 13.842 -1.127 1.00 0.00 H new ATOM 0 HB2 ASP A 95 1.141 14.461 -0.534 1.00 0.00 H new ATOM 0 HB3 ASP A 95 2.438 15.373 0.212 1.00 0.00 H new ATOM 1472 N HIS A 96 2.400 12.388 -2.720 1.00 0.00 N ATOM 1473 CA HIS A 96 1.752 11.500 -3.679 1.00 0.00 C ATOM 1474 C HIS A 96 0.967 10.406 -2.961 1.00 0.00 C ATOM 1475 O HIS A 96 1.300 10.024 -1.839 1.00 0.00 O ATOM 1476 CB HIS A 96 2.792 10.872 -4.607 1.00 0.00 C ATOM 1477 CG HIS A 96 3.394 11.844 -5.575 1.00 0.00 C ATOM 1478 ND1 HIS A 96 3.067 11.872 -6.915 1.00 0.00 N ATOM 1479 CD2 HIS A 96 4.307 12.826 -5.392 1.00 0.00 C ATOM 1480 CE1 HIS A 96 3.754 12.829 -7.513 1.00 0.00 C ATOM 1481 NE2 HIS A 96 4.514 13.423 -6.611 1.00 0.00 N ATOM 0 H HIS A 96 2.993 11.913 -2.040 1.00 0.00 H new ATOM 0 HA HIS A 96 1.056 12.092 -4.273 1.00 0.00 H new ATOM 0 HB2 HIS A 96 3.587 10.432 -4.004 1.00 0.00 H new ATOM 0 HB3 HIS A 96 2.327 10.058 -5.163 1.00 0.00 H new ATOM 0 HD1 HIS A 96 2.399 11.251 -7.372 1.00 0.00 H new ATOM 0 HD2 HIS A 96 4.784 13.091 -4.460 1.00 0.00 H new ATOM 0 HE1 HIS A 96 3.703 13.083 -8.562 1.00 0.00 H new ATOM 1490 N SER A 97 -0.077 9.907 -3.616 1.00 0.00 N ATOM 1491 CA SER A 97 -0.912 8.861 -3.038 1.00 0.00 C ATOM 1492 C SER A 97 -1.440 7.927 -4.123 1.00 0.00 C ATOM 1493 O SER A 97 -1.668 8.342 -5.258 1.00 0.00 O ATOM 1494 CB SER A 97 -2.080 9.478 -2.267 1.00 0.00 C ATOM 1495 OG SER A 97 -3.048 10.014 -3.152 1.00 0.00 O ATOM 0 H SER A 97 -0.364 10.210 -4.547 1.00 0.00 H new ATOM 0 HA SER A 97 -0.299 8.280 -2.349 1.00 0.00 H new ATOM 0 HB2 SER A 97 -2.542 8.721 -1.633 1.00 0.00 H new ATOM 0 HB3 SER A 97 -1.710 10.264 -1.608 1.00 0.00 H new ATOM 0 HG SER A 97 -3.785 10.401 -2.635 1.00 0.00 H new ATOM 1501 N GLY A 98 -1.633 6.661 -3.764 1.00 0.00 N ATOM 1502 CA GLY A 98 -2.133 5.688 -4.717 1.00 0.00 C ATOM 1503 C GLY A 98 -3.122 4.722 -4.094 1.00 0.00 C ATOM 1504 O GLY A 98 -3.802 5.059 -3.125 1.00 0.00 O ATOM 0 H GLY A 98 -1.452 6.292 -2.830 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -2.612 6.209 -5.546 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -1.296 5.128 -5.133 1.00 0.00 H new ATOM 1508 N ARG A 99 -3.203 3.519 -4.653 1.00 0.00 N ATOM 1509 CA ARG A 99 -4.119 2.503 -4.148 1.00 0.00 C ATOM 1510 C ARG A 99 -3.664 1.107 -4.563 1.00 0.00 C ATOM 1511 O ARG A 99 -3.351 0.866 -5.730 1.00 0.00 O ATOM 1512 CB ARG A 99 -5.536 2.763 -4.661 1.00 0.00 C ATOM 1513 CG ARG A 99 -6.568 1.786 -4.121 1.00 0.00 C ATOM 1514 CD ARG A 99 -7.928 2.446 -3.959 1.00 0.00 C ATOM 1515 NE ARG A 99 -8.091 3.046 -2.637 1.00 0.00 N ATOM 1516 CZ ARG A 99 -9.272 3.315 -2.093 1.00 0.00 C ATOM 1517 NH1 ARG A 99 -10.389 3.038 -2.752 1.00 0.00 N ATOM 1518 NH2 ARG A 99 -9.339 3.862 -0.885 1.00 0.00 N ATOM 0 H ARG A 99 -2.646 3.224 -5.455 1.00 0.00 H new ATOM 0 HA ARG A 99 -4.119 2.558 -3.059 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -5.831 3.777 -4.390 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -5.534 2.712 -5.750 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -6.653 0.935 -4.797 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -6.234 1.397 -3.159 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -8.052 3.213 -4.723 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -8.712 1.706 -4.120 1.00 0.00 H new ATOM 0 HE ARG A 99 -7.252 3.271 -2.103 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -10.343 2.617 -3.680 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -11.294 3.246 -2.331 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -8.483 4.076 -0.374 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -10.247 4.068 -0.468 1.00 0.00 H new ATOM 1532 N LEU A 100 -3.630 0.191 -3.602 1.00 0.00 N ATOM 1533 CA LEU A 100 -3.213 -1.182 -3.867 1.00 0.00 C ATOM 1534 C LEU A 100 -4.422 -2.103 -3.997 1.00 0.00 C ATOM 1535 O LEU A 100 -5.118 -2.370 -3.017 1.00 0.00 O ATOM 1536 CB LEU A 100 -2.294 -1.681 -2.751 1.00 0.00 C ATOM 1537 CG LEU A 100 -0.948 -0.968 -2.620 1.00 0.00 C ATOM 1538 CD1 LEU A 100 -0.244 -1.388 -1.339 1.00 0.00 C ATOM 1539 CD2 LEU A 100 -0.072 -1.256 -3.831 1.00 0.00 C ATOM 0 H LEU A 100 -3.886 0.374 -2.632 1.00 0.00 H new ATOM 0 HA LEU A 100 -2.668 -1.194 -4.811 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -2.824 -1.590 -1.803 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -2.106 -2.743 -2.910 1.00 0.00 H new ATOM 0 HG LEU A 100 -1.130 0.106 -2.575 1.00 0.00 H new ATOM 0 HD11 LEU A 100 0.712 -0.870 -1.263 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -0.865 -1.131 -0.481 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -0.074 -2.465 -1.354 1.00 0.00 H new ATOM 0 HD21 LEU A 100 0.882 -0.741 -3.721 1.00 0.00 H new ATOM 0 HD22 LEU A 100 0.102 -2.329 -3.907 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -0.572 -0.905 -4.734 1.00 0.00 H new ATOM 1551 N ILE A 101 -4.664 -2.586 -5.211 1.00 0.00 N ATOM 1552 CA ILE A 101 -5.786 -3.480 -5.467 1.00 0.00 C ATOM 1553 C ILE A 101 -5.360 -4.940 -5.366 1.00 0.00 C ATOM 1554 O ILE A 101 -4.592 -5.432 -6.193 1.00 0.00 O ATOM 1555 CB ILE A 101 -6.399 -3.230 -6.857 1.00 0.00 C ATOM 1556 CG1 ILE A 101 -6.912 -1.792 -6.962 1.00 0.00 C ATOM 1557 CG2 ILE A 101 -7.522 -4.219 -7.127 1.00 0.00 C ATOM 1558 CD1 ILE A 101 -7.248 -1.371 -8.376 1.00 0.00 C ATOM 0 H ILE A 101 -4.098 -2.373 -6.032 1.00 0.00 H new ATOM 0 HA ILE A 101 -6.537 -3.270 -4.705 1.00 0.00 H new ATOM 0 HB ILE A 101 -5.624 -3.375 -7.610 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -7.800 -1.685 -6.339 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -6.158 -1.116 -6.560 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -7.945 -4.029 -8.113 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -7.129 -5.235 -7.090 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -8.299 -4.103 -6.371 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -7.605 -0.341 -8.374 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -6.357 -1.445 -8.999 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -8.025 -2.023 -8.775 1.00 0.00 H new ATOM 1570 N VAL A 102 -5.866 -5.630 -4.349 1.00 0.00 N ATOM 1571 CA VAL A 102 -5.540 -7.036 -4.141 1.00 0.00 C ATOM 1572 C VAL A 102 -6.692 -7.936 -4.573 1.00 0.00 C ATOM 1573 O VAL A 102 -7.834 -7.746 -4.153 1.00 0.00 O ATOM 1574 CB VAL A 102 -5.204 -7.323 -2.666 1.00 0.00 C ATOM 1575 CG1 VAL A 102 -4.724 -8.756 -2.496 1.00 0.00 C ATOM 1576 CG2 VAL A 102 -4.163 -6.338 -2.156 1.00 0.00 C ATOM 0 H VAL A 102 -6.504 -5.238 -3.656 1.00 0.00 H new ATOM 0 HA VAL A 102 -4.664 -7.252 -4.753 1.00 0.00 H new ATOM 0 HB VAL A 102 -6.110 -7.197 -2.074 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -4.491 -8.940 -1.447 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -5.506 -9.443 -2.820 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -3.830 -8.914 -3.099 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -3.937 -6.555 -1.112 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -3.254 -6.429 -2.750 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -4.551 -5.323 -2.240 1.00 0.00 H new ATOM 1586 N CYS A 103 -6.385 -8.918 -5.414 1.00 0.00 N ATOM 1587 CA CYS A 103 -7.396 -9.849 -5.904 1.00 0.00 C ATOM 1588 C CYS A 103 -7.127 -11.261 -5.394 1.00 0.00 C ATOM 1589 O CYS A 103 -6.007 -11.763 -5.489 1.00 0.00 O ATOM 1590 CB CYS A 103 -7.426 -9.843 -7.433 1.00 0.00 C ATOM 1591 SG CYS A 103 -8.215 -8.382 -8.150 1.00 0.00 S ATOM 0 H CYS A 103 -5.445 -9.090 -5.771 1.00 0.00 H new ATOM 0 HA CYS A 103 -8.366 -9.525 -5.528 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -6.404 -9.911 -7.806 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -7.951 -10.733 -7.779 1.00 0.00 H new ATOM 0 HG CYS A 103 -8.190 -8.468 -9.447 1.00 0.00 H new ATOM 1597 N TYR A 104 -8.160 -11.895 -4.852 1.00 0.00 N ATOM 1598 CA TYR A 104 -8.035 -13.248 -4.323 1.00 0.00 C ATOM 1599 C TYR A 104 -8.310 -14.285 -5.408 1.00 0.00 C ATOM 1600 O TYR A 104 -8.588 -13.939 -6.557 1.00 0.00 O ATOM 1601 CB TYR A 104 -8.997 -13.451 -3.152 1.00 0.00 C ATOM 1602 CG TYR A 104 -8.544 -12.785 -1.873 1.00 0.00 C ATOM 1603 CD1 TYR A 104 -8.115 -11.464 -1.868 1.00 0.00 C ATOM 1604 CD2 TYR A 104 -8.544 -13.478 -0.668 1.00 0.00 C ATOM 1605 CE1 TYR A 104 -7.699 -10.852 -0.701 1.00 0.00 C ATOM 1606 CE2 TYR A 104 -8.131 -12.874 0.504 1.00 0.00 C ATOM 1607 CZ TYR A 104 -7.709 -11.561 0.482 1.00 0.00 C ATOM 1608 OH TYR A 104 -7.296 -10.955 1.646 1.00 0.00 O ATOM 0 H TYR A 104 -9.094 -11.494 -4.767 1.00 0.00 H new ATOM 0 HA TYR A 104 -7.012 -13.380 -3.971 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -9.977 -13.062 -3.427 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -9.117 -14.519 -2.972 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -8.106 -10.905 -2.792 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -8.873 -14.507 -0.648 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -7.368 -9.824 -0.715 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -8.139 -13.427 1.432 1.00 0.00 H new ATOM 0 HH TYR A 104 -7.968 -11.097 2.345 1.00 0.00 H new ATOM 1618 N ASP A 105 -8.231 -15.557 -5.034 1.00 0.00 N ATOM 1619 CA ASP A 105 -8.472 -16.646 -5.973 1.00 0.00 C ATOM 1620 C ASP A 105 -9.940 -16.690 -6.389 1.00 0.00 C ATOM 1621 O ASP A 105 -10.262 -16.977 -7.542 1.00 0.00 O ATOM 1622 CB ASP A 105 -8.065 -17.983 -5.352 1.00 0.00 C ATOM 1623 CG ASP A 105 -8.965 -19.123 -5.790 1.00 0.00 C ATOM 1624 OD1 ASP A 105 -9.181 -19.273 -7.011 1.00 0.00 O ATOM 1625 OD2 ASP A 105 -9.452 -19.865 -4.912 1.00 0.00 O ATOM 0 H ASP A 105 -8.002 -15.859 -4.087 1.00 0.00 H new ATOM 0 HA ASP A 105 -7.866 -16.468 -6.861 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -7.035 -18.210 -5.628 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -8.092 -17.899 -4.266 1.00 0.00 H new ATOM 1630 N THR A 106 -10.827 -16.404 -5.441 1.00 0.00 N ATOM 1631 CA THR A 106 -12.260 -16.413 -5.707 1.00 0.00 C ATOM 1632 C THR A 106 -12.663 -15.234 -6.585 1.00 0.00 C ATOM 1633 O THR A 106 -13.404 -15.393 -7.554 1.00 0.00 O ATOM 1634 CB THR A 106 -13.074 -16.368 -4.400 1.00 0.00 C ATOM 1635 OG1 THR A 106 -14.474 -16.438 -4.693 1.00 0.00 O ATOM 1636 CG2 THR A 106 -12.777 -15.097 -3.621 1.00 0.00 C ATOM 0 H THR A 106 -10.578 -16.163 -4.482 1.00 0.00 H new ATOM 0 HA THR A 106 -12.479 -17.344 -6.230 1.00 0.00 H new ATOM 0 HB THR A 106 -12.787 -17.224 -3.789 1.00 0.00 H new ATOM 0 HG1 THR A 106 -14.985 -16.410 -3.857 1.00 0.00 H new ATOM 0 HG21 THR A 106 -13.363 -15.088 -2.702 1.00 0.00 H new ATOM 0 HG22 THR A 106 -11.716 -15.061 -3.375 1.00 0.00 H new ATOM 0 HG23 THR A 106 -13.038 -14.229 -4.227 1.00 0.00 H new ATOM 1644 N GLY A 107 -12.170 -14.048 -6.238 1.00 0.00 N ATOM 1645 CA GLY A 107 -12.491 -12.859 -7.006 1.00 0.00 C ATOM 1646 C GLY A 107 -12.576 -11.617 -6.141 1.00 0.00 C ATOM 1647 O GLY A 107 -12.743 -10.509 -6.651 1.00 0.00 O ATOM 0 H GLY A 107 -11.555 -13.890 -5.440 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -11.733 -12.711 -7.775 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -13.441 -13.007 -7.519 1.00 0.00 H new ATOM 1651 N GLU A 108 -12.463 -11.801 -4.830 1.00 0.00 N ATOM 1652 CA GLU A 108 -12.531 -10.686 -3.893 1.00 0.00 C ATOM 1653 C GLU A 108 -11.556 -9.581 -4.291 1.00 0.00 C ATOM 1654 O GLU A 108 -10.612 -9.812 -5.047 1.00 0.00 O ATOM 1655 CB GLU A 108 -12.224 -11.164 -2.473 1.00 0.00 C ATOM 1656 CG GLU A 108 -13.396 -11.856 -1.797 1.00 0.00 C ATOM 1657 CD GLU A 108 -14.284 -10.891 -1.036 1.00 0.00 C ATOM 1658 OE1 GLU A 108 -14.283 -9.689 -1.378 1.00 0.00 O ATOM 1659 OE2 GLU A 108 -14.979 -11.336 -0.099 1.00 0.00 O ATOM 0 H GLU A 108 -12.324 -12.712 -4.392 1.00 0.00 H new ATOM 0 HA GLU A 108 -13.543 -10.282 -3.922 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -11.377 -11.850 -2.505 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -11.920 -10.309 -1.869 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -13.990 -12.374 -2.550 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -13.019 -12.614 -1.111 1.00 0.00 H new ATOM 1666 N LYS A 109 -11.792 -8.378 -3.778 1.00 0.00 N ATOM 1667 CA LYS A 109 -10.936 -7.237 -4.077 1.00 0.00 C ATOM 1668 C LYS A 109 -10.725 -6.374 -2.837 1.00 0.00 C ATOM 1669 O LYS A 109 -11.639 -6.194 -2.031 1.00 0.00 O ATOM 1670 CB LYS A 109 -11.549 -6.394 -5.199 1.00 0.00 C ATOM 1671 CG LYS A 109 -10.527 -5.863 -6.188 1.00 0.00 C ATOM 1672 CD LYS A 109 -11.142 -4.841 -7.130 1.00 0.00 C ATOM 1673 CE LYS A 109 -10.527 -4.923 -8.519 1.00 0.00 C ATOM 1674 NZ LYS A 109 -11.138 -6.010 -9.333 1.00 0.00 N ATOM 0 H LYS A 109 -12.570 -8.168 -3.153 1.00 0.00 H new ATOM 0 HA LYS A 109 -9.968 -7.617 -4.402 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -12.282 -6.996 -5.735 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -12.087 -5.554 -4.759 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -9.698 -5.408 -5.647 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -10.115 -6.690 -6.766 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -12.217 -5.007 -7.197 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -10.998 -3.839 -6.726 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -10.657 -3.969 -9.031 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -9.454 -5.094 -8.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -10.692 -6.033 -10.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -10.992 -6.923 -8.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -12.158 -5.834 -9.438 1.00 0.00 H new ATOM 1688 N VAL A 110 -9.516 -5.843 -2.690 1.00 0.00 N ATOM 1689 CA VAL A 110 -9.186 -4.997 -1.549 1.00 0.00 C ATOM 1690 C VAL A 110 -8.484 -3.720 -1.996 1.00 0.00 C ATOM 1691 O VAL A 110 -7.630 -3.746 -2.882 1.00 0.00 O ATOM 1692 CB VAL A 110 -8.286 -5.739 -0.542 1.00 0.00 C ATOM 1693 CG1 VAL A 110 -7.909 -4.824 0.612 1.00 0.00 C ATOM 1694 CG2 VAL A 110 -8.978 -6.995 -0.034 1.00 0.00 C ATOM 0 H VAL A 110 -8.748 -5.984 -3.347 1.00 0.00 H new ATOM 0 HA VAL A 110 -10.127 -4.739 -1.063 1.00 0.00 H new ATOM 0 HB VAL A 110 -7.370 -6.038 -1.051 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -7.273 -5.365 1.313 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -7.370 -3.958 0.228 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -8.813 -4.492 1.123 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -8.328 -7.507 0.676 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -9.911 -6.722 0.459 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -9.191 -7.657 -0.873 1.00 0.00 H new ATOM 1704 N PHE A 111 -8.850 -2.603 -1.376 1.00 0.00 N ATOM 1705 CA PHE A 111 -8.255 -1.314 -1.711 1.00 0.00 C ATOM 1706 C PHE A 111 -7.474 -0.752 -0.527 1.00 0.00 C ATOM 1707 O PHE A 111 -7.987 -0.674 0.589 1.00 0.00 O ATOM 1708 CB PHE A 111 -9.341 -0.323 -2.137 1.00 0.00 C ATOM 1709 CG PHE A 111 -10.081 -0.740 -3.376 1.00 0.00 C ATOM 1710 CD1 PHE A 111 -9.498 -0.603 -4.625 1.00 0.00 C ATOM 1711 CD2 PHE A 111 -11.358 -1.269 -3.291 1.00 0.00 C ATOM 1712 CE1 PHE A 111 -10.177 -0.985 -5.767 1.00 0.00 C ATOM 1713 CE2 PHE A 111 -12.042 -1.654 -4.429 1.00 0.00 C ATOM 1714 CZ PHE A 111 -11.450 -1.512 -5.669 1.00 0.00 C ATOM 0 H PHE A 111 -9.555 -2.564 -0.640 1.00 0.00 H new ATOM 0 HA PHE A 111 -7.564 -1.465 -2.541 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -10.053 -0.204 -1.321 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -8.885 0.652 -2.307 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -8.502 -0.193 -4.708 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -11.825 -1.382 -2.324 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -9.712 -0.871 -6.735 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -13.037 -2.065 -4.349 1.00 0.00 H new ATOM 0 HZ PHE A 111 -11.981 -1.812 -6.560 1.00 0.00 H new ATOM 1724 N VAL A 112 -6.229 -0.361 -0.780 1.00 0.00 N ATOM 1725 CA VAL A 112 -5.375 0.195 0.264 1.00 0.00 C ATOM 1726 C VAL A 112 -4.662 1.452 -0.221 1.00 0.00 C ATOM 1727 O VAL A 112 -3.772 1.385 -1.069 1.00 0.00 O ATOM 1728 CB VAL A 112 -4.325 -0.829 0.735 1.00 0.00 C ATOM 1729 CG1 VAL A 112 -3.445 -0.230 1.821 1.00 0.00 C ATOM 1730 CG2 VAL A 112 -5.003 -2.099 1.226 1.00 0.00 C ATOM 0 H VAL A 112 -5.789 -0.419 -1.698 1.00 0.00 H new ATOM 0 HA VAL A 112 -6.024 0.450 1.102 1.00 0.00 H new ATOM 0 HB VAL A 112 -3.690 -1.088 -0.112 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -2.709 -0.968 2.141 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -2.931 0.648 1.430 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -4.063 0.059 2.671 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -4.246 -2.811 1.555 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -5.663 -1.860 2.060 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -5.586 -2.537 0.416 1.00 0.00 H new ATOM 1740 N SER A 113 -5.057 2.598 0.324 1.00 0.00 N ATOM 1741 CA SER A 113 -4.458 3.871 -0.055 1.00 0.00 C ATOM 1742 C SER A 113 -2.937 3.812 0.058 1.00 0.00 C ATOM 1743 O SER A 113 -2.393 3.089 0.895 1.00 0.00 O ATOM 1744 CB SER A 113 -5.002 4.998 0.825 1.00 0.00 C ATOM 1745 OG SER A 113 -6.414 5.078 0.736 1.00 0.00 O ATOM 0 H SER A 113 -5.790 2.670 1.030 1.00 0.00 H new ATOM 0 HA SER A 113 -4.720 4.072 -1.094 1.00 0.00 H new ATOM 0 HB2 SER A 113 -4.709 4.828 1.861 1.00 0.00 H new ATOM 0 HB3 SER A 113 -4.561 5.947 0.520 1.00 0.00 H new ATOM 0 HG SER A 113 -6.737 5.805 1.309 1.00 0.00 H new ATOM 1751 N LEU A 114 -2.257 4.576 -0.789 1.00 0.00 N ATOM 1752 CA LEU A 114 -0.798 4.611 -0.785 1.00 0.00 C ATOM 1753 C LEU A 114 -0.289 6.015 -0.474 1.00 0.00 C ATOM 1754 O LEU A 114 -1.051 6.982 -0.495 1.00 0.00 O ATOM 1755 CB LEU A 114 -0.254 4.146 -2.136 1.00 0.00 C ATOM 1756 CG LEU A 114 -0.176 2.633 -2.343 1.00 0.00 C ATOM 1757 CD1 LEU A 114 0.284 2.310 -3.756 1.00 0.00 C ATOM 1758 CD2 LEU A 114 0.758 2.002 -1.320 1.00 0.00 C ATOM 0 H LEU A 114 -2.692 5.179 -1.487 1.00 0.00 H new ATOM 0 HA LEU A 114 -0.444 3.935 -0.006 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -0.880 4.568 -2.922 1.00 0.00 H new ATOM 0 HB3 LEU A 114 0.745 4.562 -2.266 1.00 0.00 H new ATOM 0 HG LEU A 114 -1.173 2.215 -2.203 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.333 1.229 -3.884 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -0.422 2.729 -4.473 1.00 0.00 H new ATOM 0 HD13 LEU A 114 1.271 2.741 -3.925 1.00 0.00 H new ATOM 0 HD21 LEU A 114 0.801 0.925 -1.482 1.00 0.00 H new ATOM 0 HD22 LEU A 114 1.756 2.426 -1.429 1.00 0.00 H new ATOM 0 HD23 LEU A 114 0.386 2.203 -0.315 1.00 0.00 H new ATOM 1770 N TYR A 115 1.005 6.119 -0.190 1.00 0.00 N ATOM 1771 CA TYR A 115 1.617 7.405 0.125 1.00 0.00 C ATOM 1772 C TYR A 115 3.115 7.380 -0.162 1.00 0.00 C ATOM 1773 O TYR A 115 3.694 6.322 -0.405 1.00 0.00 O ATOM 1774 CB TYR A 115 1.373 7.764 1.592 1.00 0.00 C ATOM 1775 CG TYR A 115 0.281 8.790 1.791 1.00 0.00 C ATOM 1776 CD1 TYR A 115 0.526 10.143 1.590 1.00 0.00 C ATOM 1777 CD2 TYR A 115 -0.997 8.406 2.179 1.00 0.00 C ATOM 1778 CE1 TYR A 115 -0.469 11.084 1.772 1.00 0.00 C ATOM 1779 CE2 TYR A 115 -1.999 9.340 2.361 1.00 0.00 C ATOM 1780 CZ TYR A 115 -1.730 10.677 2.157 1.00 0.00 C ATOM 1781 OH TYR A 115 -2.724 11.611 2.337 1.00 0.00 O ATOM 0 H TYR A 115 1.650 5.329 -0.171 1.00 0.00 H new ATOM 0 HA TYR A 115 1.157 8.163 -0.509 1.00 0.00 H new ATOM 0 HB2 TYR A 115 1.113 6.859 2.140 1.00 0.00 H new ATOM 0 HB3 TYR A 115 2.299 8.143 2.023 1.00 0.00 H new ATOM 0 HD1 TYR A 115 1.511 10.464 1.286 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -1.211 7.360 2.341 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -0.261 12.132 1.614 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -2.987 9.025 2.661 1.00 0.00 H new ATOM 0 HH TYR A 115 -3.551 11.160 2.606 1.00 0.00 H new ATOM 1791 N GLY A 116 3.736 8.555 -0.132 1.00 0.00 N ATOM 1792 CA GLY A 116 5.161 8.647 -0.390 1.00 0.00 C ATOM 1793 C GLY A 116 5.653 10.080 -0.426 1.00 0.00 C ATOM 1794 O GLY A 116 6.130 10.554 -1.456 1.00 0.00 O ATOM 0 H GLY A 116 3.278 9.445 0.066 1.00 0.00 H new ATOM 0 HA2 GLY A 116 5.703 8.100 0.381 1.00 0.00 H new ATOM 0 HA3 GLY A 116 5.387 8.165 -1.341 1.00 0.00 H new ATOM 1798 N ALA A 117 5.534 10.774 0.702 1.00 0.00 N ATOM 1799 CA ALA A 117 5.970 12.161 0.795 1.00 0.00 C ATOM 1800 C ALA A 117 7.407 12.319 0.309 1.00 0.00 C ATOM 1801 O ALA A 117 8.352 11.966 1.012 1.00 0.00 O ATOM 1802 CB ALA A 117 5.837 12.661 2.226 1.00 0.00 C ATOM 0 H ALA A 117 5.139 10.397 1.564 1.00 0.00 H new ATOM 0 HA ALA A 117 5.328 12.762 0.150 1.00 0.00 H new ATOM 0 HB1 ALA A 117 6.166 13.699 2.281 1.00 0.00 H new ATOM 0 HB2 ALA A 117 4.795 12.594 2.540 1.00 0.00 H new ATOM 0 HB3 ALA A 117 6.454 12.049 2.884 1.00 0.00 H new ATOM 1808 N ALA A 118 7.562 12.852 -0.899 1.00 0.00 N ATOM 1809 CA ALA A 118 8.884 13.057 -1.478 1.00 0.00 C ATOM 1810 C ALA A 118 9.421 14.445 -1.142 1.00 0.00 C ATOM 1811 O ALA A 118 8.660 15.345 -0.784 1.00 0.00 O ATOM 1812 CB ALA A 118 8.836 12.859 -2.986 1.00 0.00 C ATOM 0 H ALA A 118 6.789 13.149 -1.495 1.00 0.00 H new ATOM 0 HA ALA A 118 9.561 12.319 -1.047 1.00 0.00 H new ATOM 0 HB1 ALA A 118 9.830 13.015 -3.405 1.00 0.00 H new ATOM 0 HB2 ALA A 118 8.503 11.845 -3.209 1.00 0.00 H new ATOM 0 HB3 ALA A 118 8.141 13.574 -3.425 1.00 0.00 H new ATOM 1818 N ILE A 119 10.734 14.610 -1.260 1.00 0.00 N ATOM 1819 CA ILE A 119 11.371 15.889 -0.969 1.00 0.00 C ATOM 1820 C ILE A 119 12.365 16.268 -2.061 1.00 0.00 C ATOM 1821 O ILE A 119 12.722 15.445 -2.904 1.00 0.00 O ATOM 1822 CB ILE A 119 12.102 15.858 0.386 1.00 0.00 C ATOM 1823 CG1 ILE A 119 12.884 14.552 0.539 1.00 0.00 C ATOM 1824 CG2 ILE A 119 11.109 16.024 1.527 1.00 0.00 C ATOM 1825 CD1 ILE A 119 14.313 14.643 0.052 1.00 0.00 C ATOM 0 H ILE A 119 11.377 13.875 -1.555 1.00 0.00 H new ATOM 0 HA ILE A 119 10.577 16.635 -0.928 1.00 0.00 H new ATOM 0 HB ILE A 119 12.808 16.688 0.420 1.00 0.00 H new ATOM 0 HG12 ILE A 119 12.884 14.259 1.589 1.00 0.00 H new ATOM 0 HG13 ILE A 119 12.370 13.764 -0.012 1.00 0.00 H new ATOM 0 HG21 ILE A 119 11.641 16.000 2.478 1.00 0.00 H new ATOM 0 HG22 ILE A 119 10.592 16.978 1.424 1.00 0.00 H new ATOM 0 HG23 ILE A 119 10.382 15.213 1.497 1.00 0.00 H new ATOM 0 HD11 ILE A 119 14.807 13.681 0.191 1.00 0.00 H new ATOM 0 HD12 ILE A 119 14.321 14.905 -1.006 1.00 0.00 H new ATOM 0 HD13 ILE A 119 14.843 15.408 0.619 1.00 0.00 H new ATOM 1837 N ASP A 120 12.811 17.520 -2.039 1.00 0.00 N ATOM 1838 CA ASP A 120 13.767 18.009 -3.026 1.00 0.00 C ATOM 1839 C ASP A 120 15.199 17.749 -2.570 1.00 0.00 C ATOM 1840 O ASP A 120 16.153 18.046 -3.288 1.00 0.00 O ATOM 1841 CB ASP A 120 13.560 19.504 -3.270 1.00 0.00 C ATOM 1842 CG ASP A 120 12.876 20.192 -2.105 1.00 0.00 C ATOM 1843 OD1 ASP A 120 13.166 19.827 -0.947 1.00 0.00 O ATOM 1844 OD2 ASP A 120 12.051 21.096 -2.352 1.00 0.00 O ATOM 0 H ASP A 120 12.526 18.214 -1.348 1.00 0.00 H new ATOM 0 HA ASP A 120 13.598 17.470 -3.958 1.00 0.00 H new ATOM 0 HB2 ASP A 120 14.525 19.977 -3.451 1.00 0.00 H new ATOM 0 HB3 ASP A 120 12.963 19.643 -4.171 1.00 0.00 H new