USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=26 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 42 SER OG : rot 97:sc= 0.594 USER MOD Set 1.2: A 44 GLN :FLIP amide:sc= -0.59 F(o=-1.3,f=0.0039) USER MOD Set 2.1: A 37 CYS SG : rot 120:sc= 0 USER MOD Set 2.2: A 43 THR OG1 : rot 110:sc= -0.7 USER MOD Single : A 31 LYS NZ :NH3+ -161:sc= -0.0315 (180deg=-0.459) USER MOD Single : A 33 ASN : amide:sc= -0.333 K(o=-0.33,f=-3.9!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -1.36 K(o=-1.4,f=-6.1!) USER MOD Single : A 54 ASN :FLIP amide:sc= -1.05 F(o=-4!,f=-1.1) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN :FLIP amide:sc= 0 F(o=-0.84,f=0) USER MOD Single : A 60 HIS : no HE2:sc= -5.51 X(o=-5.5,f=-5.9!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot -98:sc= -0.0107 USER MOD Single : A 64 CYS SG : rot 2:sc= 0.0288 USER MOD Single : A 68 SER OG : rot 180:sc= -0.325 USER MOD Single : A 75 THR OG1 : rot 37:sc= 0.0577 USER MOD Single : A 77 ASN : amide:sc= -0.486 K(o=-0.49,f=-7.4!) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl -153:sc= -0.297 (180deg=-0.804) USER MOD Single : A 83 GLN :FLIP amide:sc= -0.356 F(o=-3.2!,f=-0.36) USER MOD Single : A 91 GLN :FLIP amide:sc= -0.264 F(o=-0.81,f=-0.26) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 HIS : no HD1:sc= 0.27 K(o=0.27,f=-1) USER MOD Single : A 97 SER OG : rot 25:sc= 0.222 USER MOD Single : A 103 CYS SG : rot 180:sc= 0 USER MOD Single : A 104 TYR OH : rot 110:sc= -1.03 USER MOD Single : A 106 THR OG1 : rot 180:sc= -0.213 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 -10.718 -17.608 3.171 1.00 0.00 N ATOM 342 CA ALA A 24 -9.432 -17.092 3.624 1.00 0.00 C ATOM 343 C ALA A 24 -9.467 -15.574 3.761 1.00 0.00 C ATOM 344 O ALA A 24 -10.125 -14.886 2.980 1.00 0.00 O ATOM 345 CB ALA A 24 -8.327 -17.512 2.666 1.00 0.00 C ATOM 0 HA ALA A 24 -9.225 -17.515 4.607 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.373 -17.120 3.017 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.278 -18.600 2.622 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -8.538 -17.118 1.672 1.00 0.00 H new ATOM 351 N ILE A 25 -8.755 -15.058 4.757 1.00 0.00 N ATOM 352 CA ILE A 25 -8.705 -13.621 4.995 1.00 0.00 C ATOM 353 C ILE A 25 -7.311 -13.183 5.430 1.00 0.00 C ATOM 354 O ILE A 25 -6.623 -13.900 6.158 1.00 0.00 O ATOM 355 CB ILE A 25 -9.723 -13.192 6.068 1.00 0.00 C ATOM 356 CG1 ILE A 25 -11.128 -13.665 5.688 1.00 0.00 C ATOM 357 CG2 ILE A 25 -9.699 -11.681 6.248 1.00 0.00 C ATOM 358 CD1 ILE A 25 -12.134 -13.536 6.810 1.00 0.00 C ATOM 0 H ILE A 25 -8.205 -15.614 5.412 1.00 0.00 H new ATOM 0 HA ILE A 25 -8.957 -13.137 4.052 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.447 -13.656 7.015 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -11.477 -13.089 4.831 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -11.079 -14.707 5.373 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -10.424 -11.394 7.010 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -8.702 -11.367 6.559 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -9.953 -11.198 5.304 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -13.107 -13.890 6.469 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -11.808 -14.134 7.661 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -12.213 -12.491 7.110 1.00 0.00 H new ATOM 370 N LEU A 26 -6.900 -12.003 4.980 1.00 0.00 N ATOM 371 CA LEU A 26 -5.587 -11.468 5.324 1.00 0.00 C ATOM 372 C LEU A 26 -5.718 -10.219 6.190 1.00 0.00 C ATOM 373 O LEU A 26 -6.819 -9.712 6.404 1.00 0.00 O ATOM 374 CB LEU A 26 -4.799 -11.142 4.054 1.00 0.00 C ATOM 375 CG LEU A 26 -4.058 -12.312 3.406 1.00 0.00 C ATOM 376 CD1 LEU A 26 -3.099 -12.952 4.397 1.00 0.00 C ATOM 377 CD2 LEU A 26 -5.045 -13.341 2.876 1.00 0.00 C ATOM 0 H LEU A 26 -7.457 -11.398 4.376 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.050 -12.227 5.893 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.488 -10.723 3.320 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.073 -10.364 4.290 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.478 -11.929 2.567 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.581 -13.783 3.918 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.370 -12.212 4.728 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.657 -13.321 5.257 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.500 -14.166 2.418 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.653 -13.719 3.698 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.691 -12.876 2.131 1.00 0.00 H new ATOM 389 N ASP A 27 -4.587 -9.727 6.683 1.00 0.00 N ATOM 390 CA ASP A 27 -4.574 -8.534 7.523 1.00 0.00 C ATOM 391 C ASP A 27 -3.780 -7.412 6.862 1.00 0.00 C ATOM 392 O ASP A 27 -2.549 -7.423 6.866 1.00 0.00 O ATOM 393 CB ASP A 27 -3.979 -8.857 8.895 1.00 0.00 C ATOM 394 CG ASP A 27 -3.314 -7.654 9.535 1.00 0.00 C ATOM 395 OD1 ASP A 27 -3.858 -6.537 9.407 1.00 0.00 O ATOM 396 OD2 ASP A 27 -2.251 -7.830 10.165 1.00 0.00 O ATOM 0 H ASP A 27 -3.667 -10.135 6.516 1.00 0.00 H new ATOM 0 HA ASP A 27 -5.603 -8.199 7.651 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.767 -9.225 9.552 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -3.249 -9.660 8.791 1.00 0.00 H new ATOM 401 N PHE A 28 -4.493 -6.445 6.294 1.00 0.00 N ATOM 402 CA PHE A 28 -3.856 -5.317 5.626 1.00 0.00 C ATOM 403 C PHE A 28 -4.297 -3.996 6.250 1.00 0.00 C ATOM 404 O PHE A 28 -5.456 -3.811 6.620 1.00 0.00 O ATOM 405 CB PHE A 28 -4.190 -5.325 4.133 1.00 0.00 C ATOM 406 CG PHE A 28 -3.360 -6.292 3.338 1.00 0.00 C ATOM 407 CD1 PHE A 28 -3.677 -7.641 3.315 1.00 0.00 C ATOM 408 CD2 PHE A 28 -2.263 -5.853 2.615 1.00 0.00 C ATOM 409 CE1 PHE A 28 -2.915 -8.533 2.585 1.00 0.00 C ATOM 410 CE2 PHE A 28 -1.497 -6.741 1.883 1.00 0.00 C ATOM 411 CZ PHE A 28 -1.824 -8.083 1.867 1.00 0.00 C ATOM 0 H PHE A 28 -5.513 -6.420 6.283 1.00 0.00 H new ATOM 0 HA PHE A 28 -2.778 -5.416 5.750 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -5.244 -5.573 4.006 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.048 -4.322 3.732 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -4.529 -7.999 3.874 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -2.003 -4.805 2.623 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -3.172 -9.582 2.576 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.644 -6.386 1.324 1.00 0.00 H new ATOM 0 HZ PHE A 28 -1.228 -8.779 1.295 1.00 0.00 H new ATOM 421 N PRO A 29 -3.350 -3.054 6.371 1.00 0.00 N ATOM 422 CA PRO A 29 -3.616 -1.733 6.950 1.00 0.00 C ATOM 423 C PRO A 29 -4.496 -0.872 6.050 1.00 0.00 C ATOM 424 O PRO A 29 -4.516 -1.050 4.832 1.00 0.00 O ATOM 425 CB PRO A 29 -2.221 -1.116 7.082 1.00 0.00 C ATOM 426 CG PRO A 29 -1.402 -1.806 6.046 1.00 0.00 C ATOM 427 CD PRO A 29 -1.946 -3.204 5.951 1.00 0.00 C ATOM 0 HA PRO A 29 -4.157 -1.803 7.894 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -2.247 -0.039 6.914 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -1.811 -1.273 8.080 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -1.474 -1.293 5.087 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -0.348 -1.815 6.324 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -1.870 -3.597 4.937 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -1.404 -3.891 6.600 1.00 0.00 H new ATOM 435 N ASP A 30 -5.222 0.060 6.657 1.00 0.00 N ATOM 436 CA ASP A 30 -6.103 0.950 5.910 1.00 0.00 C ATOM 437 C ASP A 30 -5.344 1.648 4.786 1.00 0.00 C ATOM 438 O ASP A 30 -5.854 1.792 3.674 1.00 0.00 O ATOM 439 CB ASP A 30 -6.725 1.989 6.844 1.00 0.00 C ATOM 440 CG ASP A 30 -7.458 1.354 8.010 1.00 0.00 C ATOM 441 OD1 ASP A 30 -8.282 0.447 7.770 1.00 0.00 O ATOM 442 OD2 ASP A 30 -7.207 1.764 9.162 1.00 0.00 O ATOM 0 H ASP A 30 -5.218 0.219 7.665 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.897 0.348 5.469 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.943 2.646 7.225 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -7.418 2.613 6.279 1.00 0.00 H new ATOM 447 N LYS A 31 -4.124 2.080 5.082 1.00 0.00 N ATOM 448 CA LYS A 31 -3.293 2.763 4.097 1.00 0.00 C ATOM 449 C LYS A 31 -1.815 2.645 4.456 1.00 0.00 C ATOM 450 O LYS A 31 -1.465 2.311 5.589 1.00 0.00 O ATOM 451 CB LYS A 31 -3.689 4.239 4.002 1.00 0.00 C ATOM 452 CG LYS A 31 -3.532 4.997 5.308 1.00 0.00 C ATOM 453 CD LYS A 31 -3.595 6.499 5.092 1.00 0.00 C ATOM 454 CE LYS A 31 -5.032 7.000 5.077 1.00 0.00 C ATOM 455 NZ LYS A 31 -5.131 8.385 4.539 1.00 0.00 N ATOM 0 H LYS A 31 -3.687 1.969 5.997 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.453 2.286 3.130 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.081 4.721 3.237 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -4.726 4.308 3.674 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.317 4.695 6.002 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.580 4.735 5.770 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.040 7.005 5.882 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.110 6.753 4.149 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -5.644 6.331 4.472 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.436 6.974 6.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.035 8.808 4.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.345 8.958 4.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -5.083 8.358 3.500 1.00 0.00 H new ATOM 469 N LEU A 32 -0.952 2.922 3.485 1.00 0.00 N ATOM 470 CA LEU A 32 0.489 2.848 3.699 1.00 0.00 C ATOM 471 C LEU A 32 1.081 4.238 3.909 1.00 0.00 C ATOM 472 O LEU A 32 1.025 5.087 3.021 1.00 0.00 O ATOM 473 CB LEU A 32 1.167 2.167 2.508 1.00 0.00 C ATOM 474 CG LEU A 32 2.516 1.505 2.793 1.00 0.00 C ATOM 475 CD1 LEU A 32 3.491 2.512 3.384 1.00 0.00 C ATOM 476 CD2 LEU A 32 2.341 0.317 3.727 1.00 0.00 C ATOM 0 H LEU A 32 -1.225 3.200 2.542 1.00 0.00 H new ATOM 0 HA LEU A 32 0.668 2.258 4.598 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.489 1.410 2.114 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.308 2.909 1.722 1.00 0.00 H new ATOM 0 HG LEU A 32 2.927 1.143 1.851 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.445 2.023 3.580 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.641 3.330 2.679 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.087 2.906 4.317 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.311 -0.141 3.918 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.907 0.655 4.668 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.679 -0.415 3.265 1.00 0.00 H new ATOM 488 N ASN A 33 1.649 4.462 5.089 1.00 0.00 N ATOM 489 CA ASN A 33 2.253 5.749 5.415 1.00 0.00 C ATOM 490 C ASN A 33 3.756 5.727 5.152 1.00 0.00 C ATOM 491 O ASN A 33 4.513 5.072 5.869 1.00 0.00 O ATOM 492 CB ASN A 33 1.985 6.105 6.878 1.00 0.00 C ATOM 493 CG ASN A 33 2.307 7.554 7.189 1.00 0.00 C ATOM 494 OD1 ASN A 33 3.092 8.192 6.486 1.00 0.00 O ATOM 495 ND2 ASN A 33 1.702 8.081 8.247 1.00 0.00 N ATOM 0 H ASN A 33 1.704 3.769 5.836 1.00 0.00 H new ATOM 0 HA ASN A 33 1.801 6.507 4.775 1.00 0.00 H new ATOM 0 HB2 ASN A 33 0.938 5.910 7.110 1.00 0.00 H new ATOM 0 HB3 ASN A 33 2.580 5.457 7.522 1.00 0.00 H new ATOM 0 HD21 ASN A 33 1.880 9.051 8.506 1.00 0.00 H new ATOM 0 HD22 ASN A 33 1.059 7.515 8.801 1.00 0.00 H new ATOM 502 N PHE A 34 4.181 6.447 4.120 1.00 0.00 N ATOM 503 CA PHE A 34 5.593 6.510 3.762 1.00 0.00 C ATOM 504 C PHE A 34 6.223 7.808 4.260 1.00 0.00 C ATOM 505 O PHE A 34 5.921 8.890 3.757 1.00 0.00 O ATOM 506 CB PHE A 34 5.762 6.398 2.245 1.00 0.00 C ATOM 507 CG PHE A 34 6.004 4.993 1.772 1.00 0.00 C ATOM 508 CD1 PHE A 34 7.269 4.432 1.845 1.00 0.00 C ATOM 509 CD2 PHE A 34 4.967 4.234 1.254 1.00 0.00 C ATOM 510 CE1 PHE A 34 7.494 3.140 1.409 1.00 0.00 C ATOM 511 CE2 PHE A 34 5.186 2.941 0.817 1.00 0.00 C ATOM 512 CZ PHE A 34 6.452 2.393 0.896 1.00 0.00 C ATOM 0 H PHE A 34 3.568 6.995 3.517 1.00 0.00 H new ATOM 0 HA PHE A 34 6.101 5.673 4.240 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.868 6.788 1.758 1.00 0.00 H new ATOM 0 HB3 PHE A 34 6.596 7.027 1.933 1.00 0.00 H new ATOM 0 HD1 PHE A 34 8.088 5.011 2.247 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.976 4.658 1.191 1.00 0.00 H new ATOM 0 HE1 PHE A 34 8.485 2.715 1.469 1.00 0.00 H new ATOM 0 HE2 PHE A 34 4.369 2.360 0.415 1.00 0.00 H new ATOM 0 HZ PHE A 34 6.626 1.382 0.557 1.00 0.00 H new ATOM 522 N SER A 35 7.099 7.690 5.252 1.00 0.00 N ATOM 523 CA SER A 35 7.769 8.853 5.822 1.00 0.00 C ATOM 524 C SER A 35 8.412 9.701 4.728 1.00 0.00 C ATOM 525 O SER A 35 8.370 9.350 3.549 1.00 0.00 O ATOM 526 CB SER A 35 8.831 8.413 6.832 1.00 0.00 C ATOM 527 OG SER A 35 9.771 7.537 6.234 1.00 0.00 O ATOM 0 H SER A 35 7.362 6.801 5.678 1.00 0.00 H new ATOM 0 HA SER A 35 7.020 9.458 6.333 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.346 9.288 7.228 1.00 0.00 H new ATOM 0 HB3 SER A 35 8.352 7.916 7.676 1.00 0.00 H new ATOM 0 HG SER A 35 10.440 7.272 6.899 1.00 0.00 H new ATOM 533 N THR A 36 9.007 10.820 5.128 1.00 0.00 N ATOM 534 CA THR A 36 9.658 11.719 4.184 1.00 0.00 C ATOM 535 C THR A 36 10.680 10.976 3.332 1.00 0.00 C ATOM 536 O THR A 36 11.740 10.582 3.820 1.00 0.00 O ATOM 537 CB THR A 36 10.360 12.883 4.909 1.00 0.00 C ATOM 538 OG1 THR A 36 9.445 13.527 5.802 1.00 0.00 O ATOM 539 CG2 THR A 36 10.900 13.896 3.910 1.00 0.00 C ATOM 0 H THR A 36 9.051 11.125 6.100 1.00 0.00 H new ATOM 0 HA THR A 36 8.876 12.121 3.540 1.00 0.00 H new ATOM 0 HB THR A 36 11.196 12.476 5.478 1.00 0.00 H new ATOM 0 HG1 THR A 36 9.899 14.265 6.260 1.00 0.00 H new ATOM 0 HG21 THR A 36 11.391 14.709 4.445 1.00 0.00 H new ATOM 0 HG22 THR A 36 11.618 13.409 3.251 1.00 0.00 H new ATOM 0 HG23 THR A 36 10.077 14.297 3.318 1.00 0.00 H new ATOM 547 N CYS A 37 10.355 10.787 2.058 1.00 0.00 N ATOM 548 CA CYS A 37 11.246 10.090 1.137 1.00 0.00 C ATOM 549 C CYS A 37 11.662 11.002 -0.013 1.00 0.00 C ATOM 550 O CYS A 37 10.971 11.960 -0.358 1.00 0.00 O ATOM 551 CB CYS A 37 10.566 8.835 0.588 1.00 0.00 C ATOM 552 SG CYS A 37 9.139 9.172 -0.469 1.00 0.00 S ATOM 0 H CYS A 37 9.481 11.106 1.639 1.00 0.00 H new ATOM 0 HA CYS A 37 12.141 9.799 1.687 1.00 0.00 H new ATOM 0 HB2 CYS A 37 11.296 8.257 0.021 1.00 0.00 H new ATOM 0 HB3 CYS A 37 10.247 8.213 1.424 1.00 0.00 H new ATOM 0 HG CYS A 37 9.351 8.680 -1.654 1.00 0.00 H new ATOM 558 N PRO A 38 12.819 10.699 -0.619 1.00 0.00 N ATOM 559 CA PRO A 38 13.354 11.480 -1.739 1.00 0.00 C ATOM 560 C PRO A 38 12.530 11.310 -3.010 1.00 0.00 C ATOM 561 O PRO A 38 12.010 10.229 -3.285 1.00 0.00 O ATOM 562 CB PRO A 38 14.760 10.906 -1.932 1.00 0.00 C ATOM 563 CG PRO A 38 14.680 9.519 -1.395 1.00 0.00 C ATOM 564 CD PRO A 38 13.695 9.571 -0.260 1.00 0.00 C ATOM 0 HA PRO A 38 13.340 12.550 -1.533 1.00 0.00 H new ATOM 0 HB2 PRO A 38 15.047 10.907 -2.983 1.00 0.00 H new ATOM 0 HB3 PRO A 38 15.505 11.495 -1.397 1.00 0.00 H new ATOM 0 HG2 PRO A 38 14.352 8.821 -2.165 1.00 0.00 H new ATOM 0 HG3 PRO A 38 15.656 9.177 -1.050 1.00 0.00 H new ATOM 0 HD2 PRO A 38 13.135 8.640 -0.171 1.00 0.00 H new ATOM 0 HD3 PRO A 38 14.192 9.737 0.696 1.00 0.00 H new ATOM 572 N VAL A 39 12.415 12.386 -3.784 1.00 0.00 N ATOM 573 CA VAL A 39 11.655 12.355 -5.027 1.00 0.00 C ATOM 574 C VAL A 39 12.345 11.484 -6.071 1.00 0.00 C ATOM 575 O VAL A 39 11.767 10.517 -6.568 1.00 0.00 O ATOM 576 CB VAL A 39 11.463 13.771 -5.603 1.00 0.00 C ATOM 577 CG1 VAL A 39 12.799 14.490 -5.708 1.00 0.00 C ATOM 578 CG2 VAL A 39 10.774 13.706 -6.957 1.00 0.00 C ATOM 0 H VAL A 39 12.839 13.289 -3.571 1.00 0.00 H new ATOM 0 HA VAL A 39 10.679 11.931 -4.791 1.00 0.00 H new ATOM 0 HB VAL A 39 10.826 14.338 -4.924 1.00 0.00 H new ATOM 0 HG11 VAL A 39 12.644 15.488 -6.117 1.00 0.00 H new ATOM 0 HG12 VAL A 39 13.248 14.569 -4.718 1.00 0.00 H new ATOM 0 HG13 VAL A 39 13.464 13.929 -6.364 1.00 0.00 H new ATOM 0 HG21 VAL A 39 10.646 14.715 -7.349 1.00 0.00 H new ATOM 0 HG22 VAL A 39 11.383 13.123 -7.648 1.00 0.00 H new ATOM 0 HG23 VAL A 39 9.798 13.234 -6.846 1.00 0.00 H new ATOM 588 N LYS A 40 13.584 11.832 -6.400 1.00 0.00 N ATOM 589 CA LYS A 40 14.355 11.081 -7.383 1.00 0.00 C ATOM 590 C LYS A 40 14.599 9.652 -6.909 1.00 0.00 C ATOM 591 O LYS A 40 14.137 8.695 -7.529 1.00 0.00 O ATOM 592 CB LYS A 40 15.692 11.776 -7.652 1.00 0.00 C ATOM 593 CG LYS A 40 15.651 12.742 -8.823 1.00 0.00 C ATOM 594 CD LYS A 40 14.956 14.041 -8.450 1.00 0.00 C ATOM 595 CE LYS A 40 15.349 15.173 -9.388 1.00 0.00 C ATOM 596 NZ LYS A 40 14.697 15.041 -10.720 1.00 0.00 N ATOM 0 H LYS A 40 14.076 12.631 -6.000 1.00 0.00 H new ATOM 0 HA LYS A 40 13.779 11.044 -8.307 1.00 0.00 H new ATOM 0 HB2 LYS A 40 15.997 12.317 -6.756 1.00 0.00 H new ATOM 0 HB3 LYS A 40 16.453 11.019 -7.843 1.00 0.00 H new ATOM 0 HG2 LYS A 40 16.667 12.954 -9.156 1.00 0.00 H new ATOM 0 HG3 LYS A 40 15.131 12.278 -9.661 1.00 0.00 H new ATOM 0 HD2 LYS A 40 13.876 13.899 -8.482 1.00 0.00 H new ATOM 0 HD3 LYS A 40 15.212 14.311 -7.425 1.00 0.00 H new ATOM 0 HE2 LYS A 40 15.072 16.128 -8.941 1.00 0.00 H new ATOM 0 HE3 LYS A 40 16.432 15.182 -9.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 14.990 15.831 -11.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 14.981 14.142 -11.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 13.664 15.058 -10.604 1.00 0.00 H new ATOM 610 N TYR A 41 15.325 9.517 -5.805 1.00 0.00 N ATOM 611 CA TYR A 41 15.631 8.204 -5.248 1.00 0.00 C ATOM 612 C TYR A 41 14.360 7.380 -5.068 1.00 0.00 C ATOM 613 O TYR A 41 13.259 7.924 -4.991 1.00 0.00 O ATOM 614 CB TYR A 41 16.351 8.352 -3.906 1.00 0.00 C ATOM 615 CG TYR A 41 17.838 8.587 -4.039 1.00 0.00 C ATOM 616 CD1 TYR A 41 18.696 7.553 -4.394 1.00 0.00 C ATOM 617 CD2 TYR A 41 18.386 9.843 -3.811 1.00 0.00 C ATOM 618 CE1 TYR A 41 20.056 7.763 -4.516 1.00 0.00 C ATOM 619 CE2 TYR A 41 19.745 10.063 -3.932 1.00 0.00 C ATOM 620 CZ TYR A 41 20.575 9.020 -4.285 1.00 0.00 C ATOM 621 OH TYR A 41 21.929 9.234 -4.406 1.00 0.00 O ATOM 0 H TYR A 41 15.712 10.300 -5.278 1.00 0.00 H new ATOM 0 HA TYR A 41 16.284 7.683 -5.948 1.00 0.00 H new ATOM 0 HB2 TYR A 41 15.908 9.182 -3.356 1.00 0.00 H new ATOM 0 HB3 TYR A 41 16.186 7.452 -3.313 1.00 0.00 H new ATOM 0 HD1 TYR A 41 18.293 6.568 -4.578 1.00 0.00 H new ATOM 0 HD2 TYR A 41 17.739 10.662 -3.534 1.00 0.00 H new ATOM 0 HE1 TYR A 41 20.709 6.948 -4.791 1.00 0.00 H new ATOM 0 HE2 TYR A 41 20.154 11.046 -3.751 1.00 0.00 H new ATOM 0 HH TYR A 41 22.130 10.173 -4.211 1.00 0.00 H new ATOM 631 N SER A 42 14.522 6.062 -5.001 1.00 0.00 N ATOM 632 CA SER A 42 13.389 5.160 -4.833 1.00 0.00 C ATOM 633 C SER A 42 13.137 4.873 -3.356 1.00 0.00 C ATOM 634 O SER A 42 14.043 4.971 -2.528 1.00 0.00 O ATOM 635 CB SER A 42 13.637 3.850 -5.583 1.00 0.00 C ATOM 636 OG SER A 42 14.772 3.175 -5.069 1.00 0.00 O ATOM 0 H SER A 42 15.427 5.595 -5.061 1.00 0.00 H new ATOM 0 HA SER A 42 12.505 5.646 -5.247 1.00 0.00 H new ATOM 0 HB2 SER A 42 12.760 3.208 -5.500 1.00 0.00 H new ATOM 0 HB3 SER A 42 13.782 4.056 -6.643 1.00 0.00 H new ATOM 0 HG SER A 42 14.484 2.494 -4.425 1.00 0.00 H new ATOM 642 N THR A 43 11.897 4.518 -3.032 1.00 0.00 N ATOM 643 CA THR A 43 11.523 4.218 -1.655 1.00 0.00 C ATOM 644 C THR A 43 11.052 2.775 -1.515 1.00 0.00 C ATOM 645 O THR A 43 10.446 2.220 -2.431 1.00 0.00 O ATOM 646 CB THR A 43 10.411 5.160 -1.157 1.00 0.00 C ATOM 647 OG1 THR A 43 10.785 6.523 -1.384 1.00 0.00 O ATOM 648 CG2 THR A 43 10.140 4.943 0.324 1.00 0.00 C ATOM 0 H THR A 43 11.135 4.431 -3.704 1.00 0.00 H new ATOM 0 HA THR A 43 12.415 4.367 -1.046 1.00 0.00 H new ATOM 0 HB THR A 43 9.501 4.936 -1.713 1.00 0.00 H new ATOM 0 HG1 THR A 43 10.225 6.902 -2.093 1.00 0.00 H new ATOM 0 HG21 THR A 43 9.351 5.620 0.652 1.00 0.00 H new ATOM 0 HG22 THR A 43 9.826 3.912 0.489 1.00 0.00 H new ATOM 0 HG23 THR A 43 11.048 5.141 0.893 1.00 0.00 H new ATOM 656 N GLN A 44 11.335 2.174 -0.364 1.00 0.00 N ATOM 657 CA GLN A 44 10.940 0.795 -0.106 1.00 0.00 C ATOM 658 C GLN A 44 10.523 0.612 1.350 1.00 0.00 C ATOM 659 O GLN A 44 11.006 1.314 2.238 1.00 0.00 O ATOM 660 CB GLN A 44 12.087 -0.159 -0.444 1.00 0.00 C ATOM 661 CG GLN A 44 12.400 -0.230 -1.930 1.00 0.00 C ATOM 662 CD GLN A 44 13.387 0.833 -2.370 1.00 0.00 C ATOM 663 OE1 GLN A 44 13.055 1.542 -3.443 1.00 0.00 O flip ATOM 664 NE2 GLN A 44 14.437 1.015 -1.753 1.00 0.00 N flip ATOM 0 H GLN A 44 11.836 2.620 0.404 1.00 0.00 H new ATOM 0 HA GLN A 44 10.086 0.563 -0.742 1.00 0.00 H new ATOM 0 HB2 GLN A 44 12.982 0.157 0.093 1.00 0.00 H new ATOM 0 HB3 GLN A 44 11.836 -1.157 -0.086 1.00 0.00 H new ATOM 0 HG2 GLN A 44 12.803 -1.215 -2.166 1.00 0.00 H new ATOM 0 HG3 GLN A 44 11.476 -0.120 -2.498 1.00 0.00 H new ATOM 0 HE21 GLN A 44 14.652 0.447 -0.933 1.00 0.00 H new ATOM 0 HE22 GLN A 44 15.092 1.734 -2.061 1.00 0.00 H new ATOM 673 N LYS A 45 9.623 -0.337 1.588 1.00 0.00 N ATOM 674 CA LYS A 45 9.141 -0.614 2.936 1.00 0.00 C ATOM 675 C LYS A 45 8.628 -2.046 3.046 1.00 0.00 C ATOM 676 O LYS A 45 8.232 -2.652 2.049 1.00 0.00 O ATOM 677 CB LYS A 45 8.030 0.368 3.314 1.00 0.00 C ATOM 678 CG LYS A 45 7.970 0.674 4.801 1.00 0.00 C ATOM 679 CD LYS A 45 6.786 1.565 5.139 1.00 0.00 C ATOM 680 CE LYS A 45 7.100 3.031 4.879 1.00 0.00 C ATOM 681 NZ LYS A 45 7.861 3.643 6.003 1.00 0.00 N ATOM 0 H LYS A 45 9.213 -0.927 0.864 1.00 0.00 H new ATOM 0 HA LYS A 45 9.976 -0.492 3.626 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.177 1.298 2.766 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.071 -0.041 2.997 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.898 -0.257 5.363 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.894 1.162 5.111 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.923 1.266 4.545 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.515 1.430 6.186 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.677 3.121 3.958 1.00 0.00 H new ATOM 0 HE3 LYS A 45 6.171 3.580 4.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 8.055 4.642 5.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.300 3.580 6.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.760 3.135 6.131 1.00 0.00 H new ATOM 695 N ILE A 46 8.635 -2.581 4.262 1.00 0.00 N ATOM 696 CA ILE A 46 8.168 -3.940 4.502 1.00 0.00 C ATOM 697 C ILE A 46 6.773 -3.941 5.117 1.00 0.00 C ATOM 698 O ILE A 46 6.452 -3.099 5.957 1.00 0.00 O ATOM 699 CB ILE A 46 9.126 -4.710 5.429 1.00 0.00 C ATOM 700 CG1 ILE A 46 10.529 -4.760 4.820 1.00 0.00 C ATOM 701 CG2 ILE A 46 8.603 -6.116 5.682 1.00 0.00 C ATOM 702 CD1 ILE A 46 10.606 -5.568 3.544 1.00 0.00 C ATOM 0 H ILE A 46 8.959 -2.093 5.097 1.00 0.00 H new ATOM 0 HA ILE A 46 8.136 -4.438 3.533 1.00 0.00 H new ATOM 0 HB ILE A 46 9.182 -4.187 6.384 1.00 0.00 H new ATOM 0 HG12 ILE A 46 10.864 -3.743 4.617 1.00 0.00 H new ATOM 0 HG13 ILE A 46 11.218 -5.183 5.551 1.00 0.00 H new ATOM 0 HG21 ILE A 46 9.291 -6.648 6.339 1.00 0.00 H new ATOM 0 HG22 ILE A 46 7.622 -6.060 6.153 1.00 0.00 H new ATOM 0 HG23 ILE A 46 8.521 -6.649 4.735 1.00 0.00 H new ATOM 0 HD11 ILE A 46 11.629 -5.559 3.169 1.00 0.00 H new ATOM 0 HD12 ILE A 46 10.302 -6.595 3.745 1.00 0.00 H new ATOM 0 HD13 ILE A 46 9.942 -5.132 2.797 1.00 0.00 H new ATOM 714 N LEU A 47 5.947 -4.893 4.697 1.00 0.00 N ATOM 715 CA LEU A 47 4.586 -5.006 5.208 1.00 0.00 C ATOM 716 C LEU A 47 4.300 -6.426 5.687 1.00 0.00 C ATOM 717 O LEU A 47 4.160 -7.348 4.882 1.00 0.00 O ATOM 718 CB LEU A 47 3.579 -4.608 4.128 1.00 0.00 C ATOM 719 CG LEU A 47 2.172 -5.188 4.274 1.00 0.00 C ATOM 720 CD1 LEU A 47 1.480 -4.607 5.498 1.00 0.00 C ATOM 721 CD2 LEU A 47 1.352 -4.923 3.020 1.00 0.00 C ATOM 0 H LEU A 47 6.197 -5.598 4.003 1.00 0.00 H new ATOM 0 HA LEU A 47 4.486 -4.329 6.056 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.502 -3.521 4.114 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.977 -4.912 3.160 1.00 0.00 H new ATOM 0 HG LEU A 47 2.257 -6.267 4.407 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.480 -5.031 5.586 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.057 -4.849 6.391 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.407 -3.524 5.395 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.354 -5.343 3.143 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.276 -3.848 2.856 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.838 -5.388 2.162 1.00 0.00 H new ATOM 733 N LEU A 48 4.212 -6.595 7.002 1.00 0.00 N ATOM 734 CA LEU A 48 3.940 -7.903 7.588 1.00 0.00 C ATOM 735 C LEU A 48 2.472 -8.282 7.416 1.00 0.00 C ATOM 736 O LEU A 48 1.578 -7.560 7.857 1.00 0.00 O ATOM 737 CB LEU A 48 4.308 -7.904 9.073 1.00 0.00 C ATOM 738 CG LEU A 48 4.254 -9.260 9.777 1.00 0.00 C ATOM 739 CD1 LEU A 48 2.812 -9.668 10.039 1.00 0.00 C ATOM 740 CD2 LEU A 48 4.968 -10.320 8.950 1.00 0.00 C ATOM 0 H LEU A 48 4.325 -5.843 7.682 1.00 0.00 H new ATOM 0 HA LEU A 48 4.550 -8.641 7.068 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.316 -7.503 9.177 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.638 -7.220 9.593 1.00 0.00 H new ATOM 0 HG LEU A 48 4.765 -9.171 10.736 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.793 -10.636 10.541 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.332 -8.922 10.672 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.276 -9.740 9.092 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.919 -11.278 9.467 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.486 -10.408 7.976 1.00 0.00 H new ATOM 0 HD23 LEU A 48 6.011 -10.034 8.814 1.00 0.00 H new ATOM 752 N VAL A 49 2.232 -9.421 6.775 1.00 0.00 N ATOM 753 CA VAL A 49 0.874 -9.899 6.547 1.00 0.00 C ATOM 754 C VAL A 49 0.638 -11.236 7.240 1.00 0.00 C ATOM 755 O VAL A 49 1.426 -12.171 7.092 1.00 0.00 O ATOM 756 CB VAL A 49 0.577 -10.053 5.044 1.00 0.00 C ATOM 757 CG1 VAL A 49 -0.914 -10.246 4.811 1.00 0.00 C ATOM 758 CG2 VAL A 49 1.094 -8.847 4.273 1.00 0.00 C ATOM 0 H VAL A 49 2.961 -10.030 6.404 1.00 0.00 H new ATOM 0 HA VAL A 49 0.201 -9.151 6.967 1.00 0.00 H new ATOM 0 HB VAL A 49 1.095 -10.939 4.678 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.105 -10.353 3.743 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.250 -11.143 5.331 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.457 -9.381 5.191 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.876 -8.972 3.212 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.606 -7.944 4.640 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.171 -8.760 4.414 1.00 0.00 H new ATOM 768 N ARG A 50 -0.451 -11.321 7.997 1.00 0.00 N ATOM 769 CA ARG A 50 -0.790 -12.545 8.713 1.00 0.00 C ATOM 770 C ARG A 50 -2.157 -13.068 8.280 1.00 0.00 C ATOM 771 O ARG A 50 -3.126 -12.313 8.205 1.00 0.00 O ATOM 772 CB ARG A 50 -0.783 -12.296 10.223 1.00 0.00 C ATOM 773 CG ARG A 50 -1.028 -13.548 11.048 1.00 0.00 C ATOM 774 CD ARG A 50 -2.506 -13.739 11.346 1.00 0.00 C ATOM 775 NE ARG A 50 -2.892 -13.125 12.614 1.00 0.00 N ATOM 776 CZ ARG A 50 -3.428 -11.914 12.711 1.00 0.00 C ATOM 777 NH1 ARG A 50 -3.641 -11.190 11.621 1.00 0.00 N ATOM 778 NH2 ARG A 50 -3.753 -11.424 13.901 1.00 0.00 N ATOM 0 H ARG A 50 -1.114 -10.557 8.130 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.039 -13.297 8.471 1.00 0.00 H new ATOM 0 HB2 ARG A 50 0.177 -11.866 10.507 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.547 -11.557 10.464 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -0.649 -14.418 10.512 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.473 -13.483 11.984 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.097 -13.307 10.539 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.736 -14.804 11.374 1.00 0.00 H new ATOM 0 HE ARG A 50 -2.742 -13.656 13.472 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -3.393 -11.563 10.705 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -4.053 -10.260 11.699 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -3.591 -11.978 14.742 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -4.165 -10.494 13.974 1.00 0.00 H new ATOM 792 N ASN A 51 -2.225 -14.364 7.995 1.00 0.00 N ATOM 793 CA ASN A 51 -3.472 -14.988 7.568 1.00 0.00 C ATOM 794 C ASN A 51 -4.400 -15.220 8.757 1.00 0.00 C ATOM 795 O ASN A 51 -4.093 -16.011 9.650 1.00 0.00 O ATOM 796 CB ASN A 51 -3.188 -16.315 6.862 1.00 0.00 C ATOM 797 CG ASN A 51 -4.424 -16.898 6.206 1.00 0.00 C ATOM 798 OD1 ASN A 51 -5.514 -16.332 6.296 1.00 0.00 O ATOM 799 ND2 ASN A 51 -4.260 -18.036 5.540 1.00 0.00 N ATOM 0 H ASN A 51 -1.432 -15.002 8.052 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.966 -14.312 6.870 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -2.417 -16.164 6.107 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -2.792 -17.030 7.584 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -5.056 -18.475 5.077 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -3.338 -18.470 5.491 1.00 0.00 H new ATOM 806 N ILE A 52 -5.533 -14.527 8.761 1.00 0.00 N ATOM 807 CA ILE A 52 -6.505 -14.660 9.839 1.00 0.00 C ATOM 808 C ILE A 52 -7.674 -15.544 9.419 1.00 0.00 C ATOM 809 O ILE A 52 -8.716 -15.566 10.073 1.00 0.00 O ATOM 810 CB ILE A 52 -7.047 -13.287 10.280 1.00 0.00 C ATOM 811 CG1 ILE A 52 -7.589 -12.517 9.074 1.00 0.00 C ATOM 812 CG2 ILE A 52 -5.958 -12.488 10.980 1.00 0.00 C ATOM 813 CD1 ILE A 52 -8.286 -11.227 9.445 1.00 0.00 C ATOM 0 H ILE A 52 -5.801 -13.868 8.030 1.00 0.00 H new ATOM 0 HA ILE A 52 -5.985 -15.123 10.678 1.00 0.00 H new ATOM 0 HB ILE A 52 -7.864 -13.444 10.984 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -6.766 -12.294 8.396 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.286 -13.154 8.530 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -6.356 -11.520 11.286 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.615 -13.033 11.859 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -5.122 -12.337 10.297 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -8.644 -10.734 8.541 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -9.130 -11.445 10.099 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -7.586 -10.571 9.963 1.00 0.00 H new ATOM 825 N GLY A 53 -7.493 -16.275 8.323 1.00 0.00 N ATOM 826 CA GLY A 53 -8.540 -17.153 7.835 1.00 0.00 C ATOM 827 C GLY A 53 -8.460 -18.542 8.438 1.00 0.00 C ATOM 828 O GLY A 53 -7.745 -18.761 9.415 1.00 0.00 O ATOM 0 H GLY A 53 -6.640 -16.275 7.764 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -9.512 -16.716 8.064 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -8.471 -17.227 6.750 1.00 0.00 H new ATOM 832 N ASN A 54 -9.198 -19.482 7.856 1.00 0.00 N ATOM 833 CA ASN A 54 -9.208 -20.856 8.343 1.00 0.00 C ATOM 834 C ASN A 54 -8.390 -21.764 7.430 1.00 0.00 C ATOM 835 O ASN A 54 -7.698 -22.670 7.895 1.00 0.00 O ATOM 836 CB ASN A 54 -10.645 -21.373 8.440 1.00 0.00 C ATOM 837 CG ASN A 54 -11.096 -22.070 7.171 1.00 0.00 C ATOM 838 OD1 ASN A 54 -11.041 -21.356 6.053 1.00 0.00 O flip ATOM 839 ND2 ASN A 54 -11.488 -23.237 7.196 1.00 0.00 N flip ATOM 0 H ASN A 54 -9.797 -19.317 7.047 1.00 0.00 H new ATOM 0 HA ASN A 54 -8.756 -20.867 9.335 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -10.723 -22.065 9.279 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -11.315 -20.539 8.651 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -11.513 -23.748 8.079 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -11.787 -23.693 6.334 1.00 0.00 H new ATOM 846 N LYS A 55 -8.473 -21.514 6.128 1.00 0.00 N ATOM 847 CA LYS A 55 -7.740 -22.306 5.148 1.00 0.00 C ATOM 848 C LYS A 55 -6.696 -21.455 4.432 1.00 0.00 C ATOM 849 O LYS A 55 -6.580 -20.256 4.683 1.00 0.00 O ATOM 850 CB LYS A 55 -8.705 -22.913 4.127 1.00 0.00 C ATOM 851 CG LYS A 55 -8.145 -24.129 3.409 1.00 0.00 C ATOM 852 CD LYS A 55 -9.246 -25.097 3.009 1.00 0.00 C ATOM 853 CE LYS A 55 -9.551 -26.084 4.126 1.00 0.00 C ATOM 854 NZ LYS A 55 -8.709 -27.308 4.030 1.00 0.00 N ATOM 0 H LYS A 55 -9.041 -20.768 5.727 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.228 -23.110 5.677 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -9.628 -23.194 4.634 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -8.965 -22.154 3.389 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -7.600 -23.809 2.521 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.430 -24.637 4.056 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -10.148 -24.540 2.757 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -8.947 -25.641 2.113 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -9.385 -25.604 5.090 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -10.604 -26.363 4.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -8.947 -27.955 4.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -8.886 -27.781 3.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -7.705 -27.045 4.094 1.00 0.00 H new ATOM 868 N ASN A 56 -5.939 -22.083 3.538 1.00 0.00 N ATOM 869 CA ASN A 56 -4.905 -21.382 2.785 1.00 0.00 C ATOM 870 C ASN A 56 -5.474 -20.141 2.104 1.00 0.00 C ATOM 871 O ASN A 56 -6.511 -20.203 1.445 1.00 0.00 O ATOM 872 CB ASN A 56 -4.287 -22.313 1.740 1.00 0.00 C ATOM 873 CG ASN A 56 -2.857 -21.936 1.403 1.00 0.00 C ATOM 874 OD1 ASN A 56 -2.682 -21.188 0.319 1.00 0.00 O flip ATOM 875 ND2 ASN A 56 -1.921 -22.312 2.108 1.00 0.00 N flip ATOM 0 H ASN A 56 -6.022 -23.075 3.317 1.00 0.00 H new ATOM 0 HA ASN A 56 -4.131 -21.067 3.485 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -4.312 -23.338 2.110 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -4.890 -22.287 0.832 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -2.101 -22.886 2.932 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -0.965 -22.050 1.868 1.00 0.00 H new ATOM 882 N ALA A 57 -4.788 -19.015 2.269 1.00 0.00 N ATOM 883 CA ALA A 57 -5.223 -17.760 1.669 1.00 0.00 C ATOM 884 C ALA A 57 -4.426 -17.450 0.407 1.00 0.00 C ATOM 885 O ALA A 57 -3.215 -17.664 0.356 1.00 0.00 O ATOM 886 CB ALA A 57 -5.092 -16.622 2.671 1.00 0.00 C ATOM 0 H ALA A 57 -3.928 -18.946 2.814 1.00 0.00 H new ATOM 0 HA ALA A 57 -6.271 -17.864 1.389 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.420 -15.691 2.209 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -5.711 -16.832 3.543 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -4.051 -16.527 2.979 1.00 0.00 H new ATOM 892 N VAL A 58 -5.114 -16.945 -0.613 1.00 0.00 N ATOM 893 CA VAL A 58 -4.470 -16.605 -1.876 1.00 0.00 C ATOM 894 C VAL A 58 -4.805 -15.178 -2.297 1.00 0.00 C ATOM 895 O VAL A 58 -5.921 -14.893 -2.730 1.00 0.00 O ATOM 896 CB VAL A 58 -4.892 -17.572 -2.999 1.00 0.00 C ATOM 897 CG1 VAL A 58 -4.247 -17.172 -4.317 1.00 0.00 C ATOM 898 CG2 VAL A 58 -4.532 -19.003 -2.631 1.00 0.00 C ATOM 0 H VAL A 58 -6.117 -16.763 -0.589 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.395 -16.691 -1.717 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.974 -17.514 -3.120 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.556 -17.866 -5.099 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.560 -16.162 -4.583 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -3.162 -17.201 -4.215 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.837 -19.673 -3.435 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.455 -19.081 -2.483 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -5.046 -19.282 -1.711 1.00 0.00 H new ATOM 908 N PHE A 59 -3.829 -14.285 -2.167 1.00 0.00 N ATOM 909 CA PHE A 59 -4.020 -12.886 -2.533 1.00 0.00 C ATOM 910 C PHE A 59 -3.132 -12.508 -3.715 1.00 0.00 C ATOM 911 O PHE A 59 -2.023 -13.023 -3.863 1.00 0.00 O ATOM 912 CB PHE A 59 -3.715 -11.978 -1.340 1.00 0.00 C ATOM 913 CG PHE A 59 -2.384 -12.256 -0.700 1.00 0.00 C ATOM 914 CD1 PHE A 59 -2.251 -13.262 0.244 1.00 0.00 C ATOM 915 CD2 PHE A 59 -1.267 -11.511 -1.042 1.00 0.00 C ATOM 916 CE1 PHE A 59 -1.028 -13.520 0.834 1.00 0.00 C ATOM 917 CE2 PHE A 59 -0.042 -11.765 -0.456 1.00 0.00 C ATOM 918 CZ PHE A 59 0.078 -12.770 0.484 1.00 0.00 C ATOM 0 H PHE A 59 -2.899 -14.505 -1.811 1.00 0.00 H new ATOM 0 HA PHE A 59 -5.061 -12.751 -2.825 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.741 -10.939 -1.668 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.500 -12.096 -0.593 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.113 -13.851 0.522 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -1.355 -10.723 -1.775 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.937 -14.307 1.568 1.00 0.00 H new ATOM 0 HE2 PHE A 59 0.821 -11.178 -0.733 1.00 0.00 H new ATOM 0 HZ PHE A 59 1.034 -12.969 0.944 1.00 0.00 H new ATOM 928 N HIS A 60 -3.628 -11.605 -4.555 1.00 0.00 N ATOM 929 CA HIS A 60 -2.880 -11.157 -5.724 1.00 0.00 C ATOM 930 C HIS A 60 -3.008 -9.647 -5.905 1.00 0.00 C ATOM 931 O HIS A 60 -4.057 -9.148 -6.314 1.00 0.00 O ATOM 932 CB HIS A 60 -3.376 -11.876 -6.979 1.00 0.00 C ATOM 933 CG HIS A 60 -2.566 -11.573 -8.202 1.00 0.00 C ATOM 934 ND1 HIS A 60 -2.653 -12.311 -9.364 1.00 0.00 N ATOM 935 CD2 HIS A 60 -1.651 -10.605 -8.441 1.00 0.00 C ATOM 936 CE1 HIS A 60 -1.825 -11.811 -10.263 1.00 0.00 C ATOM 937 NE2 HIS A 60 -1.205 -10.774 -9.728 1.00 0.00 N ATOM 0 H HIS A 60 -4.544 -11.169 -4.448 1.00 0.00 H new ATOM 0 HA HIS A 60 -1.829 -11.399 -5.567 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -3.362 -12.951 -6.801 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -4.414 -11.596 -7.162 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -3.262 -13.117 -9.507 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -1.331 -9.841 -7.748 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -1.679 -12.186 -11.265 1.00 0.00 H new ATOM 946 N ILE A 61 -1.935 -8.926 -5.596 1.00 0.00 N ATOM 947 CA ILE A 61 -1.928 -7.474 -5.725 1.00 0.00 C ATOM 948 C ILE A 61 -1.520 -7.049 -7.132 1.00 0.00 C ATOM 949 O ILE A 61 -0.700 -7.703 -7.777 1.00 0.00 O ATOM 950 CB ILE A 61 -0.973 -6.823 -4.707 1.00 0.00 C ATOM 951 CG1 ILE A 61 -1.204 -7.408 -3.312 1.00 0.00 C ATOM 952 CG2 ILE A 61 -1.162 -5.314 -4.694 1.00 0.00 C ATOM 953 CD1 ILE A 61 -0.101 -7.082 -2.330 1.00 0.00 C ATOM 0 H ILE A 61 -1.060 -9.324 -5.255 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.944 -7.135 -5.526 1.00 0.00 H new ATOM 0 HB ILE A 61 0.053 -7.038 -5.004 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.150 -7.032 -2.921 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.300 -8.491 -3.392 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.480 -4.868 -3.970 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.952 -4.912 -5.685 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.190 -5.078 -4.418 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.331 -7.529 -1.363 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.844 -7.482 -2.698 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.019 -6.001 -2.220 1.00 0.00 H new ATOM 965 N LYS A 62 -2.097 -5.949 -7.602 1.00 0.00 N ATOM 966 CA LYS A 62 -1.793 -5.432 -8.931 1.00 0.00 C ATOM 967 C LYS A 62 -1.625 -3.917 -8.901 1.00 0.00 C ATOM 968 O LYS A 62 -2.479 -3.196 -8.384 1.00 0.00 O ATOM 969 CB LYS A 62 -2.901 -5.814 -9.915 1.00 0.00 C ATOM 970 CG LYS A 62 -2.956 -7.300 -10.223 1.00 0.00 C ATOM 971 CD LYS A 62 -1.828 -7.719 -11.151 1.00 0.00 C ATOM 972 CE LYS A 62 -2.238 -7.611 -12.612 1.00 0.00 C ATOM 973 NZ LYS A 62 -1.075 -7.767 -13.527 1.00 0.00 N ATOM 0 H LYS A 62 -2.779 -5.397 -7.082 1.00 0.00 H new ATOM 0 HA LYS A 62 -0.854 -5.877 -9.260 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -3.862 -5.500 -9.507 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.755 -5.264 -10.845 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.894 -7.868 -9.294 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -3.915 -7.542 -10.682 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.955 -7.092 -10.970 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.535 -8.745 -10.929 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -2.983 -8.374 -12.838 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -2.710 -6.644 -12.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.396 -7.687 -14.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -0.375 -7.023 -13.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -0.640 -8.700 -13.379 1.00 0.00 H new ATOM 987 N THR A 63 -0.517 -3.437 -9.459 1.00 0.00 N ATOM 988 CA THR A 63 -0.237 -2.008 -9.497 1.00 0.00 C ATOM 989 C THR A 63 0.783 -1.675 -10.579 1.00 0.00 C ATOM 990 O THR A 63 1.368 -2.571 -11.190 1.00 0.00 O ATOM 991 CB THR A 63 0.288 -1.502 -8.140 1.00 0.00 C ATOM 992 OG1 THR A 63 0.372 -0.073 -8.148 1.00 0.00 O ATOM 993 CG2 THR A 63 1.655 -2.094 -7.834 1.00 0.00 C ATOM 0 H THR A 63 0.201 -4.019 -9.891 1.00 0.00 H new ATOM 0 HA THR A 63 -1.179 -1.508 -9.724 1.00 0.00 H new ATOM 0 HB THR A 63 -0.410 -1.819 -7.365 1.00 0.00 H new ATOM 0 HG1 THR A 63 1.294 0.199 -8.339 1.00 0.00 H new ATOM 0 HG21 THR A 63 2.005 -1.722 -6.871 1.00 0.00 H new ATOM 0 HG22 THR A 63 1.581 -3.181 -7.798 1.00 0.00 H new ATOM 0 HG23 THR A 63 2.360 -1.804 -8.613 1.00 0.00 H new ATOM 1001 N CYS A 64 0.993 -0.384 -10.811 1.00 0.00 N ATOM 1002 CA CYS A 64 1.944 0.066 -11.821 1.00 0.00 C ATOM 1003 C CYS A 64 2.767 1.243 -11.307 1.00 0.00 C ATOM 1004 O CYS A 64 2.328 1.981 -10.424 1.00 0.00 O ATOM 1005 CB CYS A 64 1.209 0.464 -13.102 1.00 0.00 C ATOM 1006 SG CYS A 64 0.381 -0.911 -13.935 1.00 0.00 S ATOM 0 H CYS A 64 0.518 0.369 -10.314 1.00 0.00 H new ATOM 0 HA CYS A 64 2.621 -0.760 -12.040 1.00 0.00 H new ATOM 0 HB2 CYS A 64 0.469 1.228 -12.862 1.00 0.00 H new ATOM 0 HB3 CYS A 64 1.922 0.916 -13.792 1.00 0.00 H new ATOM 0 HG CYS A 64 0.544 -1.999 -13.243 1.00 0.00 H new ATOM 1012 N ARG A 65 3.962 1.410 -11.863 1.00 0.00 N ATOM 1013 CA ARG A 65 4.848 2.495 -11.458 1.00 0.00 C ATOM 1014 C ARG A 65 4.123 3.837 -11.509 1.00 0.00 C ATOM 1015 O ARG A 65 3.131 4.008 -12.218 1.00 0.00 O ATOM 1016 CB ARG A 65 6.083 2.537 -12.359 1.00 0.00 C ATOM 1017 CG ARG A 65 5.754 2.631 -13.840 1.00 0.00 C ATOM 1018 CD ARG A 65 7.014 2.623 -14.692 1.00 0.00 C ATOM 1019 NE ARG A 65 6.742 3.006 -16.075 1.00 0.00 N ATOM 1020 CZ ARG A 65 7.457 2.580 -17.110 1.00 0.00 C ATOM 1021 NH1 ARG A 65 8.481 1.760 -16.919 1.00 0.00 N ATOM 1022 NH2 ARG A 65 7.147 2.972 -18.339 1.00 0.00 N ATOM 0 H ARG A 65 4.339 0.808 -12.595 1.00 0.00 H new ATOM 0 HA ARG A 65 5.162 2.309 -10.431 1.00 0.00 H new ATOM 0 HB2 ARG A 65 6.699 3.391 -12.077 1.00 0.00 H new ATOM 0 HB3 ARG A 65 6.680 1.642 -12.184 1.00 0.00 H new ATOM 0 HG2 ARG A 65 5.115 1.795 -14.126 1.00 0.00 H new ATOM 0 HG3 ARG A 65 5.190 3.544 -14.031 1.00 0.00 H new ATOM 0 HD2 ARG A 65 7.746 3.308 -14.263 1.00 0.00 H new ATOM 0 HD3 ARG A 65 7.459 1.628 -14.672 1.00 0.00 H new ATOM 0 HE ARG A 65 5.960 3.635 -16.256 1.00 0.00 H new ATOM 0 HH11 ARG A 65 8.721 1.455 -15.976 1.00 0.00 H new ATOM 0 HH12 ARG A 65 9.029 1.434 -17.715 1.00 0.00 H new ATOM 0 HH21 ARG A 65 6.359 3.601 -18.490 1.00 0.00 H new ATOM 0 HH22 ARG A 65 7.697 2.644 -19.133 1.00 0.00 H new ATOM 1036 N PRO A 66 4.628 4.813 -10.739 1.00 0.00 N ATOM 1037 CA PRO A 66 5.808 4.621 -9.891 1.00 0.00 C ATOM 1038 C PRO A 66 5.528 3.699 -8.709 1.00 0.00 C ATOM 1039 O PRO A 66 6.415 3.422 -7.901 1.00 0.00 O ATOM 1040 CB PRO A 66 6.126 6.036 -9.402 1.00 0.00 C ATOM 1041 CG PRO A 66 4.827 6.761 -9.467 1.00 0.00 C ATOM 1042 CD PRO A 66 4.085 6.178 -10.638 1.00 0.00 C ATOM 0 HA PRO A 66 6.627 4.148 -10.432 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.522 6.024 -8.387 1.00 0.00 H new ATOM 0 HB3 PRO A 66 6.877 6.513 -10.032 1.00 0.00 H new ATOM 0 HG2 PRO A 66 4.262 6.632 -8.544 1.00 0.00 H new ATOM 0 HG3 PRO A 66 4.984 7.832 -9.598 1.00 0.00 H new ATOM 0 HD2 PRO A 66 3.008 6.171 -10.469 1.00 0.00 H new ATOM 0 HD3 PRO A 66 4.260 6.749 -11.550 1.00 0.00 H new ATOM 1050 N PHE A 67 4.290 3.226 -8.614 1.00 0.00 N ATOM 1051 CA PHE A 67 3.893 2.335 -7.529 1.00 0.00 C ATOM 1052 C PHE A 67 3.990 0.875 -7.962 1.00 0.00 C ATOM 1053 O PHE A 67 3.364 0.463 -8.938 1.00 0.00 O ATOM 1054 CB PHE A 67 2.466 2.651 -7.077 1.00 0.00 C ATOM 1055 CG PHE A 67 2.396 3.685 -5.991 1.00 0.00 C ATOM 1056 CD1 PHE A 67 3.095 3.514 -4.807 1.00 0.00 C ATOM 1057 CD2 PHE A 67 1.631 4.829 -6.153 1.00 0.00 C ATOM 1058 CE1 PHE A 67 3.034 4.464 -3.805 1.00 0.00 C ATOM 1059 CE2 PHE A 67 1.566 5.783 -5.155 1.00 0.00 C ATOM 1060 CZ PHE A 67 2.267 5.600 -3.979 1.00 0.00 C ATOM 0 H PHE A 67 3.544 3.444 -9.275 1.00 0.00 H new ATOM 0 HA PHE A 67 4.575 2.494 -6.693 1.00 0.00 H new ATOM 0 HB2 PHE A 67 1.890 2.998 -7.935 1.00 0.00 H new ATOM 0 HB3 PHE A 67 1.993 1.734 -6.725 1.00 0.00 H new ATOM 0 HD1 PHE A 67 3.695 2.627 -4.665 1.00 0.00 H new ATOM 0 HD2 PHE A 67 1.079 4.977 -7.070 1.00 0.00 H new ATOM 0 HE1 PHE A 67 3.585 4.319 -2.888 1.00 0.00 H new ATOM 0 HE2 PHE A 67 0.967 6.671 -5.295 1.00 0.00 H new ATOM 0 HZ PHE A 67 2.216 6.343 -3.197 1.00 0.00 H new ATOM 1070 N SER A 68 4.780 0.098 -7.228 1.00 0.00 N ATOM 1071 CA SER A 68 4.964 -1.315 -7.538 1.00 0.00 C ATOM 1072 C SER A 68 5.404 -2.090 -6.299 1.00 0.00 C ATOM 1073 O SER A 68 5.994 -1.525 -5.378 1.00 0.00 O ATOM 1074 CB SER A 68 5.997 -1.485 -8.653 1.00 0.00 C ATOM 1075 OG SER A 68 5.670 -0.686 -9.777 1.00 0.00 O ATOM 0 H SER A 68 5.303 0.423 -6.415 1.00 0.00 H new ATOM 0 HA SER A 68 4.008 -1.715 -7.875 1.00 0.00 H new ATOM 0 HB2 SER A 68 6.985 -1.211 -8.283 1.00 0.00 H new ATOM 0 HB3 SER A 68 6.047 -2.533 -8.950 1.00 0.00 H new ATOM 0 HG SER A 68 6.346 -0.811 -10.475 1.00 0.00 H new ATOM 1081 N ILE A 69 5.113 -3.386 -6.286 1.00 0.00 N ATOM 1082 CA ILE A 69 5.479 -4.239 -5.162 1.00 0.00 C ATOM 1083 C ILE A 69 5.840 -5.644 -5.632 1.00 0.00 C ATOM 1084 O ILE A 69 5.519 -6.035 -6.754 1.00 0.00 O ATOM 1085 CB ILE A 69 4.339 -4.333 -4.131 1.00 0.00 C ATOM 1086 CG1 ILE A 69 3.390 -5.479 -4.489 1.00 0.00 C ATOM 1087 CG2 ILE A 69 3.582 -3.015 -4.057 1.00 0.00 C ATOM 1088 CD1 ILE A 69 2.752 -5.331 -5.853 1.00 0.00 C ATOM 0 H ILE A 69 4.625 -3.868 -7.041 1.00 0.00 H new ATOM 0 HA ILE A 69 6.348 -3.781 -4.690 1.00 0.00 H new ATOM 0 HB ILE A 69 4.771 -4.537 -3.151 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.940 -6.420 -4.454 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.606 -5.540 -3.735 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.779 -3.097 -3.324 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.265 -2.219 -3.760 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.159 -2.783 -5.034 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.092 -6.178 -6.040 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.174 -4.407 -5.886 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.529 -5.301 -6.617 1.00 0.00 H new ATOM 1100 N GLU A 70 6.508 -6.399 -4.766 1.00 0.00 N ATOM 1101 CA GLU A 70 6.912 -7.762 -5.094 1.00 0.00 C ATOM 1102 C GLU A 70 7.154 -8.577 -3.827 1.00 0.00 C ATOM 1103 O GLU A 70 7.709 -8.090 -2.842 1.00 0.00 O ATOM 1104 CB GLU A 70 8.176 -7.749 -5.956 1.00 0.00 C ATOM 1105 CG GLU A 70 9.105 -8.923 -5.690 1.00 0.00 C ATOM 1106 CD GLU A 70 9.958 -9.275 -6.893 1.00 0.00 C ATOM 1107 OE1 GLU A 70 9.460 -9.998 -7.782 1.00 0.00 O ATOM 1108 OE2 GLU A 70 11.123 -8.829 -6.947 1.00 0.00 O ATOM 0 H GLU A 70 6.781 -6.091 -3.833 1.00 0.00 H new ATOM 0 HA GLU A 70 6.103 -8.229 -5.656 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.889 -7.754 -7.008 1.00 0.00 H new ATOM 0 HB3 GLU A 70 8.718 -6.820 -5.778 1.00 0.00 H new ATOM 0 HG2 GLU A 70 9.753 -8.685 -4.847 1.00 0.00 H new ATOM 0 HG3 GLU A 70 8.513 -9.792 -5.402 1.00 0.00 H new ATOM 1115 N PRO A 71 6.728 -9.848 -3.852 1.00 0.00 N ATOM 1116 CA PRO A 71 6.066 -10.439 -5.019 1.00 0.00 C ATOM 1117 C PRO A 71 4.672 -9.864 -5.246 1.00 0.00 C ATOM 1118 O PRO A 71 3.975 -9.507 -4.297 1.00 0.00 O ATOM 1119 CB PRO A 71 5.980 -11.925 -4.663 1.00 0.00 C ATOM 1120 CG PRO A 71 5.996 -11.960 -3.174 1.00 0.00 C ATOM 1121 CD PRO A 71 6.859 -10.807 -2.742 1.00 0.00 C ATOM 0 HA PRO A 71 6.610 -10.239 -5.942 1.00 0.00 H new ATOM 0 HB2 PRO A 71 5.070 -12.375 -5.060 1.00 0.00 H new ATOM 0 HB3 PRO A 71 6.819 -12.481 -5.081 1.00 0.00 H new ATOM 0 HG2 PRO A 71 4.988 -11.865 -2.771 1.00 0.00 H new ATOM 0 HG3 PRO A 71 6.398 -12.906 -2.810 1.00 0.00 H new ATOM 0 HD2 PRO A 71 6.517 -10.380 -1.799 1.00 0.00 H new ATOM 0 HD3 PRO A 71 7.895 -11.113 -2.596 1.00 0.00 H new ATOM 1129 N ALA A 72 4.272 -9.779 -6.511 1.00 0.00 N ATOM 1130 CA ALA A 72 2.960 -9.250 -6.863 1.00 0.00 C ATOM 1131 C ALA A 72 1.847 -10.167 -6.367 1.00 0.00 C ATOM 1132 O ALA A 72 0.730 -9.720 -6.109 1.00 0.00 O ATOM 1133 CB ALA A 72 2.855 -9.056 -8.368 1.00 0.00 C ATOM 0 H ALA A 72 4.838 -10.070 -7.308 1.00 0.00 H new ATOM 0 HA ALA A 72 2.843 -8.283 -6.374 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.870 -8.661 -8.616 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.621 -8.355 -8.699 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.998 -10.013 -8.869 1.00 0.00 H new ATOM 1139 N ILE A 73 2.160 -11.452 -6.237 1.00 0.00 N ATOM 1140 CA ILE A 73 1.186 -12.432 -5.772 1.00 0.00 C ATOM 1141 C ILE A 73 1.850 -13.503 -4.914 1.00 0.00 C ATOM 1142 O ILE A 73 2.995 -13.885 -5.156 1.00 0.00 O ATOM 1143 CB ILE A 73 0.462 -13.110 -6.951 1.00 0.00 C ATOM 1144 CG1 ILE A 73 -0.437 -14.239 -6.444 1.00 0.00 C ATOM 1145 CG2 ILE A 73 1.472 -13.641 -7.958 1.00 0.00 C ATOM 1146 CD1 ILE A 73 -1.308 -14.847 -7.521 1.00 0.00 C ATOM 0 H ILE A 73 3.080 -11.839 -6.447 1.00 0.00 H new ATOM 0 HA ILE A 73 0.456 -11.890 -5.171 1.00 0.00 H new ATOM 0 HB ILE A 73 -0.163 -12.369 -7.449 1.00 0.00 H new ATOM 0 HG12 ILE A 73 0.185 -15.020 -6.007 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.074 -13.856 -5.647 1.00 0.00 H new ATOM 0 HG21 ILE A 73 0.945 -14.117 -8.785 1.00 0.00 H new ATOM 0 HG22 ILE A 73 2.075 -12.816 -8.338 1.00 0.00 H new ATOM 0 HG23 ILE A 73 2.120 -14.370 -7.473 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.919 -15.641 -7.090 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.956 -14.078 -7.942 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.678 -15.261 -8.308 1.00 0.00 H new ATOM 1158 N GLY A 74 1.123 -13.986 -3.912 1.00 0.00 N ATOM 1159 CA GLY A 74 1.657 -15.011 -3.034 1.00 0.00 C ATOM 1160 C GLY A 74 0.572 -15.750 -2.277 1.00 0.00 C ATOM 1161 O GLY A 74 -0.615 -15.459 -2.434 1.00 0.00 O ATOM 0 H GLY A 74 0.173 -13.686 -3.692 1.00 0.00 H new ATOM 0 HA2 GLY A 74 2.235 -15.724 -3.622 1.00 0.00 H new ATOM 0 HA3 GLY A 74 2.345 -14.553 -2.323 1.00 0.00 H new ATOM 1165 N THR A 75 0.976 -16.712 -1.454 1.00 0.00 N ATOM 1166 CA THR A 75 0.030 -17.498 -0.672 1.00 0.00 C ATOM 1167 C THR A 75 0.471 -17.601 0.783 1.00 0.00 C ATOM 1168 O THR A 75 1.602 -17.992 1.074 1.00 0.00 O ATOM 1169 CB THR A 75 -0.134 -18.917 -1.249 1.00 0.00 C ATOM 1170 OG1 THR A 75 1.152 -19.500 -1.486 1.00 0.00 O ATOM 1171 CG2 THR A 75 -0.929 -18.885 -2.545 1.00 0.00 C ATOM 0 H THR A 75 1.954 -16.966 -1.312 1.00 0.00 H new ATOM 0 HA THR A 75 -0.928 -16.981 -0.722 1.00 0.00 H new ATOM 0 HB THR A 75 -0.678 -19.521 -0.523 1.00 0.00 H new ATOM 0 HG1 THR A 75 1.771 -19.226 -0.778 1.00 0.00 H new ATOM 0 HG21 THR A 75 -1.032 -19.898 -2.934 1.00 0.00 H new ATOM 0 HG22 THR A 75 -1.918 -18.467 -2.355 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.408 -18.267 -3.276 1.00 0.00 H new ATOM 1179 N LEU A 76 -0.429 -17.249 1.695 1.00 0.00 N ATOM 1180 CA LEU A 76 -0.133 -17.303 3.123 1.00 0.00 C ATOM 1181 C LEU A 76 -1.099 -18.238 3.844 1.00 0.00 C ATOM 1182 O LEU A 76 -2.298 -18.240 3.568 1.00 0.00 O ATOM 1183 CB LEU A 76 -0.208 -15.903 3.733 1.00 0.00 C ATOM 1184 CG LEU A 76 0.316 -15.764 5.163 1.00 0.00 C ATOM 1185 CD1 LEU A 76 1.835 -15.821 5.182 1.00 0.00 C ATOM 1186 CD2 LEU A 76 -0.179 -14.468 5.789 1.00 0.00 C ATOM 0 H LEU A 76 -1.369 -16.923 1.471 1.00 0.00 H new ATOM 0 HA LEU A 76 0.878 -17.691 3.245 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.352 -15.220 3.094 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.248 -15.576 3.715 1.00 0.00 H new ATOM 0 HG LEU A 76 -0.066 -16.598 5.752 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.190 -15.720 6.208 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.168 -16.775 4.774 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.237 -15.008 4.578 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.204 -14.386 6.806 1.00 0.00 H new ATOM 0 HD22 LEU A 76 0.173 -13.621 5.199 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.269 -14.467 5.810 1.00 0.00 H new ATOM 1198 N ASN A 77 -0.568 -19.028 4.772 1.00 0.00 N ATOM 1199 CA ASN A 77 -1.384 -19.966 5.535 1.00 0.00 C ATOM 1200 C ASN A 77 -1.744 -19.387 6.900 1.00 0.00 C ATOM 1201 O ASN A 77 -1.136 -18.419 7.356 1.00 0.00 O ATOM 1202 CB ASN A 77 -0.643 -21.293 5.710 1.00 0.00 C ATOM 1203 CG ASN A 77 0.864 -21.124 5.671 1.00 0.00 C ATOM 1204 OD1 ASN A 77 1.388 -20.057 5.990 1.00 0.00 O ATOM 1205 ND2 ASN A 77 1.567 -22.179 5.278 1.00 0.00 N ATOM 0 H ASN A 77 0.423 -19.037 5.014 1.00 0.00 H new ATOM 0 HA ASN A 77 -2.306 -20.143 4.981 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -0.931 -21.744 6.660 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -0.949 -21.983 4.924 1.00 0.00 H new ATOM 0 HD21 ASN A 77 2.584 -22.125 5.231 1.00 0.00 H new ATOM 0 HD22 ASN A 77 1.090 -23.044 5.023 1.00 0.00 H new ATOM 1212 N VAL A 78 -2.737 -19.989 7.548 1.00 0.00 N ATOM 1213 CA VAL A 78 -3.178 -19.535 8.862 1.00 0.00 C ATOM 1214 C VAL A 78 -2.092 -19.750 9.910 1.00 0.00 C ATOM 1215 O VAL A 78 -1.282 -20.670 9.801 1.00 0.00 O ATOM 1216 CB VAL A 78 -4.458 -20.266 9.307 1.00 0.00 C ATOM 1217 CG1 VAL A 78 -5.497 -20.247 8.197 1.00 0.00 C ATOM 1218 CG2 VAL A 78 -4.138 -21.693 9.726 1.00 0.00 C ATOM 0 H VAL A 78 -3.251 -20.792 7.185 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.389 -18.469 8.775 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.873 -19.744 10.169 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.395 -20.768 8.530 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.747 -19.215 7.950 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.095 -20.744 7.314 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.054 -22.195 10.037 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.698 -22.229 8.885 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.432 -21.679 10.556 1.00 0.00 H new ATOM 1228 N GLY A 79 -2.081 -18.894 10.928 1.00 0.00 N ATOM 1229 CA GLY A 79 -1.091 -19.008 11.982 1.00 0.00 C ATOM 1230 C GLY A 79 0.251 -18.427 11.582 1.00 0.00 C ATOM 1231 O GLY A 79 0.940 -17.819 12.400 1.00 0.00 O ATOM 0 H GLY A 79 -2.740 -18.124 11.041 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -1.454 -18.497 12.874 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -0.965 -20.058 12.246 1.00 0.00 H new ATOM 1235 N GLU A 80 0.624 -18.618 10.320 1.00 0.00 N ATOM 1236 CA GLU A 80 1.894 -18.110 9.815 1.00 0.00 C ATOM 1237 C GLU A 80 1.728 -16.709 9.234 1.00 0.00 C ATOM 1238 O GLU A 80 0.609 -16.228 9.055 1.00 0.00 O ATOM 1239 CB GLU A 80 2.457 -19.052 8.749 1.00 0.00 C ATOM 1240 CG GLU A 80 2.687 -20.469 9.248 1.00 0.00 C ATOM 1241 CD GLU A 80 3.763 -20.545 10.313 1.00 0.00 C ATOM 1242 OE1 GLU A 80 3.499 -20.117 11.456 1.00 0.00 O ATOM 1243 OE2 GLU A 80 4.870 -21.034 10.003 1.00 0.00 O ATOM 0 H GLU A 80 0.065 -19.120 9.630 1.00 0.00 H new ATOM 0 HA GLU A 80 2.593 -18.058 10.650 1.00 0.00 H new ATOM 0 HB2 GLU A 80 1.771 -19.081 7.903 1.00 0.00 H new ATOM 0 HB3 GLU A 80 3.400 -18.648 8.381 1.00 0.00 H new ATOM 0 HG2 GLU A 80 1.754 -20.864 9.650 1.00 0.00 H new ATOM 0 HG3 GLU A 80 2.967 -21.105 8.408 1.00 0.00 H new ATOM 1250 N SER A 81 2.850 -16.059 8.942 1.00 0.00 N ATOM 1251 CA SER A 81 2.829 -14.711 8.386 1.00 0.00 C ATOM 1252 C SER A 81 3.903 -14.549 7.314 1.00 0.00 C ATOM 1253 O SER A 81 4.744 -15.428 7.125 1.00 0.00 O ATOM 1254 CB SER A 81 3.038 -13.676 9.493 1.00 0.00 C ATOM 1255 OG SER A 81 2.224 -13.961 10.617 1.00 0.00 O ATOM 0 H SER A 81 3.784 -16.444 9.081 1.00 0.00 H new ATOM 0 HA SER A 81 1.854 -14.549 7.927 1.00 0.00 H new ATOM 0 HB2 SER A 81 4.086 -13.665 9.792 1.00 0.00 H new ATOM 0 HB3 SER A 81 2.805 -12.681 9.114 1.00 0.00 H new ATOM 0 HG SER A 81 2.377 -13.286 11.311 1.00 0.00 H new ATOM 1261 N MET A 82 3.867 -13.419 6.615 1.00 0.00 N ATOM 1262 CA MET A 82 4.838 -13.141 5.563 1.00 0.00 C ATOM 1263 C MET A 82 5.111 -11.644 5.458 1.00 0.00 C ATOM 1264 O MET A 82 4.500 -10.842 6.163 1.00 0.00 O ATOM 1265 CB MET A 82 4.334 -13.675 4.221 1.00 0.00 C ATOM 1266 CG MET A 82 3.374 -12.731 3.513 1.00 0.00 C ATOM 1267 SD MET A 82 4.187 -11.733 2.251 1.00 0.00 S ATOM 1268 CE MET A 82 3.987 -12.778 0.811 1.00 0.00 C ATOM 0 H MET A 82 3.177 -12.682 6.758 1.00 0.00 H new ATOM 0 HA MET A 82 5.770 -13.645 5.820 1.00 0.00 H new ATOM 0 HB2 MET A 82 5.188 -13.866 3.571 1.00 0.00 H new ATOM 0 HB3 MET A 82 3.837 -14.631 4.383 1.00 0.00 H new ATOM 0 HG2 MET A 82 2.574 -13.311 3.053 1.00 0.00 H new ATOM 0 HG3 MET A 82 2.909 -12.073 4.248 1.00 0.00 H new ATOM 0 HE1 MET A 82 4.792 -12.581 0.103 1.00 0.00 H new ATOM 0 HE2 MET A 82 4.018 -13.825 1.114 1.00 0.00 H new ATOM 0 HE3 MET A 82 3.028 -12.566 0.338 1.00 0.00 H new ATOM 1278 N GLN A 83 6.033 -11.276 4.574 1.00 0.00 N ATOM 1279 CA GLN A 83 6.387 -9.875 4.379 1.00 0.00 C ATOM 1280 C GLN A 83 6.313 -9.496 2.903 1.00 0.00 C ATOM 1281 O GLN A 83 6.584 -10.316 2.026 1.00 0.00 O ATOM 1282 CB GLN A 83 7.793 -9.603 4.917 1.00 0.00 C ATOM 1283 CG GLN A 83 7.880 -9.634 6.434 1.00 0.00 C ATOM 1284 CD GLN A 83 9.300 -9.811 6.934 1.00 0.00 C ATOM 1285 OE1 GLN A 83 9.934 -8.710 7.320 1.00 0.00 O flip ATOM 1286 NE2 GLN A 83 9.823 -10.925 6.973 1.00 0.00 N flip ATOM 0 H GLN A 83 6.548 -11.928 3.982 1.00 0.00 H new ATOM 0 HA GLN A 83 5.671 -9.265 4.929 1.00 0.00 H new ATOM 0 HB2 GLN A 83 8.480 -10.344 4.507 1.00 0.00 H new ATOM 0 HB3 GLN A 83 8.127 -8.628 4.562 1.00 0.00 H new ATOM 0 HG2 GLN A 83 7.470 -8.708 6.837 1.00 0.00 H new ATOM 0 HG3 GLN A 83 7.261 -10.448 6.813 1.00 0.00 H new ATOM 0 HE21 GLN A 83 9.300 -11.745 6.667 1.00 0.00 H new ATOM 0 HE22 GLN A 83 10.780 -11.028 7.312 1.00 0.00 H new ATOM 1295 N LEU A 84 5.943 -8.248 2.637 1.00 0.00 N ATOM 1296 CA LEU A 84 5.831 -7.759 1.267 1.00 0.00 C ATOM 1297 C LEU A 84 6.661 -6.494 1.072 1.00 0.00 C ATOM 1298 O LEU A 84 6.457 -5.494 1.759 1.00 0.00 O ATOM 1299 CB LEU A 84 4.368 -7.481 0.921 1.00 0.00 C ATOM 1300 CG LEU A 84 3.452 -8.703 0.847 1.00 0.00 C ATOM 1301 CD1 LEU A 84 1.997 -8.274 0.729 1.00 0.00 C ATOM 1302 CD2 LEU A 84 3.844 -9.593 -0.324 1.00 0.00 C ATOM 0 H LEU A 84 5.716 -7.557 3.352 1.00 0.00 H new ATOM 0 HA LEU A 84 6.215 -8.531 0.599 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.964 -6.794 1.664 1.00 0.00 H new ATOM 0 HB3 LEU A 84 4.334 -6.968 -0.040 1.00 0.00 H new ATOM 0 HG LEU A 84 3.567 -9.275 1.767 1.00 0.00 H new ATOM 0 HD11 LEU A 84 1.360 -9.157 0.678 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.722 -7.678 1.599 1.00 0.00 H new ATOM 0 HD13 LEU A 84 1.865 -7.679 -0.175 1.00 0.00 H new ATOM 0 HD21 LEU A 84 3.182 -10.458 -0.361 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.759 -9.030 -1.253 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.873 -9.929 -0.197 1.00 0.00 H new ATOM 1314 N GLU A 85 7.596 -6.545 0.128 1.00 0.00 N ATOM 1315 CA GLU A 85 8.455 -5.402 -0.158 1.00 0.00 C ATOM 1316 C GLU A 85 7.820 -4.494 -1.207 1.00 0.00 C ATOM 1317 O GLU A 85 7.850 -4.790 -2.402 1.00 0.00 O ATOM 1318 CB GLU A 85 9.828 -5.876 -0.642 1.00 0.00 C ATOM 1319 CG GLU A 85 10.831 -6.082 0.481 1.00 0.00 C ATOM 1320 CD GLU A 85 12.069 -6.831 0.027 1.00 0.00 C ATOM 1321 OE1 GLU A 85 12.713 -6.380 -0.942 1.00 0.00 O ATOM 1322 OE2 GLU A 85 12.393 -7.868 0.643 1.00 0.00 O ATOM 0 H GLU A 85 7.778 -7.365 -0.451 1.00 0.00 H new ATOM 0 HA GLU A 85 8.579 -4.833 0.764 1.00 0.00 H new ATOM 0 HB2 GLU A 85 9.708 -6.812 -1.187 1.00 0.00 H new ATOM 0 HB3 GLU A 85 10.228 -5.146 -1.346 1.00 0.00 H new ATOM 0 HG2 GLU A 85 11.125 -5.112 0.883 1.00 0.00 H new ATOM 0 HG3 GLU A 85 10.355 -6.633 1.292 1.00 0.00 H new ATOM 1329 N VAL A 86 7.246 -3.385 -0.751 1.00 0.00 N ATOM 1330 CA VAL A 86 6.604 -2.432 -1.649 1.00 0.00 C ATOM 1331 C VAL A 86 7.594 -1.377 -2.129 1.00 0.00 C ATOM 1332 O VAL A 86 8.244 -0.711 -1.325 1.00 0.00 O ATOM 1333 CB VAL A 86 5.415 -1.731 -0.966 1.00 0.00 C ATOM 1334 CG1 VAL A 86 4.961 -0.531 -1.783 1.00 0.00 C ATOM 1335 CG2 VAL A 86 4.269 -2.709 -0.757 1.00 0.00 C ATOM 0 H VAL A 86 7.212 -3.124 0.235 1.00 0.00 H new ATOM 0 HA VAL A 86 6.239 -3.000 -2.505 1.00 0.00 H new ATOM 0 HB VAL A 86 5.739 -1.373 0.011 1.00 0.00 H new ATOM 0 HG11 VAL A 86 4.120 -0.049 -1.285 1.00 0.00 H new ATOM 0 HG12 VAL A 86 5.783 0.178 -1.876 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.654 -0.862 -2.775 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.437 -2.197 -0.273 1.00 0.00 H new ATOM 0 HG22 VAL A 86 3.943 -3.099 -1.721 1.00 0.00 H new ATOM 0 HG23 VAL A 86 4.604 -3.533 -0.127 1.00 0.00 H new ATOM 1345 N GLU A 87 7.702 -1.231 -3.446 1.00 0.00 N ATOM 1346 CA GLU A 87 8.614 -0.256 -4.034 1.00 0.00 C ATOM 1347 C GLU A 87 7.843 0.904 -4.656 1.00 0.00 C ATOM 1348 O GLU A 87 6.848 0.700 -5.352 1.00 0.00 O ATOM 1349 CB GLU A 87 9.496 -0.923 -5.092 1.00 0.00 C ATOM 1350 CG GLU A 87 10.704 -0.092 -5.489 1.00 0.00 C ATOM 1351 CD GLU A 87 11.301 -0.525 -6.814 1.00 0.00 C ATOM 1352 OE1 GLU A 87 10.660 -0.288 -7.859 1.00 0.00 O ATOM 1353 OE2 GLU A 87 12.409 -1.101 -6.804 1.00 0.00 O ATOM 0 H GLU A 87 7.170 -1.775 -4.125 1.00 0.00 H new ATOM 0 HA GLU A 87 9.247 0.137 -3.239 1.00 0.00 H new ATOM 0 HB2 GLU A 87 9.837 -1.887 -4.714 1.00 0.00 H new ATOM 0 HB3 GLU A 87 8.896 -1.123 -5.980 1.00 0.00 H new ATOM 0 HG2 GLU A 87 10.414 0.957 -5.551 1.00 0.00 H new ATOM 0 HG3 GLU A 87 11.464 -0.167 -4.711 1.00 0.00 H new ATOM 1360 N PHE A 88 8.309 2.122 -4.400 1.00 0.00 N ATOM 1361 CA PHE A 88 7.663 3.315 -4.933 1.00 0.00 C ATOM 1362 C PHE A 88 8.669 4.451 -5.096 1.00 0.00 C ATOM 1363 O PHE A 88 9.148 5.015 -4.113 1.00 0.00 O ATOM 1364 CB PHE A 88 6.522 3.758 -4.014 1.00 0.00 C ATOM 1365 CG PHE A 88 6.151 5.204 -4.172 1.00 0.00 C ATOM 1366 CD1 PHE A 88 5.648 5.677 -5.374 1.00 0.00 C ATOM 1367 CD2 PHE A 88 6.306 6.092 -3.120 1.00 0.00 C ATOM 1368 CE1 PHE A 88 5.305 7.007 -5.523 1.00 0.00 C ATOM 1369 CE2 PHE A 88 5.965 7.424 -3.263 1.00 0.00 C ATOM 1370 CZ PHE A 88 5.465 7.882 -4.466 1.00 0.00 C ATOM 0 H PHE A 88 9.132 2.308 -3.827 1.00 0.00 H new ATOM 0 HA PHE A 88 7.256 3.069 -5.914 1.00 0.00 H new ATOM 0 HB2 PHE A 88 5.645 3.142 -4.215 1.00 0.00 H new ATOM 0 HB3 PHE A 88 6.809 3.576 -2.978 1.00 0.00 H new ATOM 0 HD1 PHE A 88 5.523 4.998 -6.204 1.00 0.00 H new ATOM 0 HD2 PHE A 88 6.698 5.740 -2.177 1.00 0.00 H new ATOM 0 HE1 PHE A 88 4.912 7.362 -6.464 1.00 0.00 H new ATOM 0 HE2 PHE A 88 6.090 8.106 -2.435 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.199 8.923 -4.580 1.00 0.00 H new ATOM 1380 N GLU A 89 8.984 4.779 -6.346 1.00 0.00 N ATOM 1381 CA GLU A 89 9.934 5.846 -6.638 1.00 0.00 C ATOM 1382 C GLU A 89 9.283 6.938 -7.482 1.00 0.00 C ATOM 1383 O GLU A 89 9.107 6.799 -8.693 1.00 0.00 O ATOM 1384 CB GLU A 89 11.158 5.285 -7.365 1.00 0.00 C ATOM 1385 CG GLU A 89 12.147 6.351 -7.804 1.00 0.00 C ATOM 1386 CD GLU A 89 13.054 5.880 -8.924 1.00 0.00 C ATOM 1387 OE1 GLU A 89 12.612 5.891 -10.091 1.00 0.00 O ATOM 1388 OE2 GLU A 89 14.208 5.500 -8.632 1.00 0.00 O ATOM 0 H GLU A 89 8.596 4.322 -7.171 1.00 0.00 H new ATOM 0 HA GLU A 89 10.252 6.283 -5.692 1.00 0.00 H new ATOM 0 HB2 GLU A 89 11.666 4.577 -6.710 1.00 0.00 H new ATOM 0 HB3 GLU A 89 10.826 4.727 -8.240 1.00 0.00 H new ATOM 0 HG2 GLU A 89 11.600 7.235 -8.132 1.00 0.00 H new ATOM 0 HG3 GLU A 89 12.755 6.650 -6.951 1.00 0.00 H new ATOM 1395 N PRO A 90 8.916 8.051 -6.830 1.00 0.00 N ATOM 1396 CA PRO A 90 8.279 9.188 -7.500 1.00 0.00 C ATOM 1397 C PRO A 90 9.240 9.929 -8.424 1.00 0.00 C ATOM 1398 O PRO A 90 10.444 9.675 -8.413 1.00 0.00 O ATOM 1399 CB PRO A 90 7.851 10.090 -6.340 1.00 0.00 C ATOM 1400 CG PRO A 90 8.784 9.747 -5.230 1.00 0.00 C ATOM 1401 CD PRO A 90 9.096 8.285 -5.387 1.00 0.00 C ATOM 0 HA PRO A 90 7.454 8.874 -8.140 1.00 0.00 H new ATOM 0 HB2 PRO A 90 7.926 11.144 -6.609 1.00 0.00 H new ATOM 0 HB3 PRO A 90 6.814 9.906 -6.057 1.00 0.00 H new ATOM 0 HG2 PRO A 90 9.692 10.348 -5.284 1.00 0.00 H new ATOM 0 HG3 PRO A 90 8.327 9.946 -4.261 1.00 0.00 H new ATOM 0 HD2 PRO A 90 10.112 8.054 -5.066 1.00 0.00 H new ATOM 0 HD3 PRO A 90 8.425 7.665 -4.793 1.00 0.00 H new ATOM 1409 N GLN A 91 8.700 10.845 -9.221 1.00 0.00 N ATOM 1410 CA GLN A 91 9.511 11.622 -10.151 1.00 0.00 C ATOM 1411 C GLN A 91 9.443 13.109 -9.821 1.00 0.00 C ATOM 1412 O GLN A 91 10.438 13.825 -9.928 1.00 0.00 O ATOM 1413 CB GLN A 91 9.044 11.385 -11.588 1.00 0.00 C ATOM 1414 CG GLN A 91 9.624 10.128 -12.216 1.00 0.00 C ATOM 1415 CD GLN A 91 11.109 10.246 -12.497 1.00 0.00 C ATOM 1416 OE1 GLN A 91 11.927 9.924 -11.502 1.00 0.00 O flip ATOM 1417 NE2 GLN A 91 11.516 10.624 -13.596 1.00 0.00 N flip ATOM 0 H GLN A 91 7.705 11.067 -9.242 1.00 0.00 H new ATOM 0 HA GLN A 91 10.546 11.294 -10.054 1.00 0.00 H new ATOM 0 HB2 GLN A 91 7.956 11.319 -11.602 1.00 0.00 H new ATOM 0 HB3 GLN A 91 9.319 12.246 -12.197 1.00 0.00 H new ATOM 0 HG2 GLN A 91 9.450 9.282 -11.552 1.00 0.00 H new ATOM 0 HG3 GLN A 91 9.098 9.916 -13.147 1.00 0.00 H new ATOM 0 HE21 GLN A 91 10.851 10.861 -14.332 1.00 0.00 H new ATOM 0 HE22 GLN A 91 12.518 10.700 -13.770 1.00 0.00 H new ATOM 1426 N SER A 92 8.262 13.568 -9.419 1.00 0.00 N ATOM 1427 CA SER A 92 8.063 14.972 -9.077 1.00 0.00 C ATOM 1428 C SER A 92 7.900 15.146 -7.570 1.00 0.00 C ATOM 1429 O SER A 92 7.067 14.491 -6.944 1.00 0.00 O ATOM 1430 CB SER A 92 6.834 15.526 -9.801 1.00 0.00 C ATOM 1431 OG SER A 92 7.175 16.000 -11.093 1.00 0.00 O ATOM 0 H SER A 92 7.428 12.988 -9.322 1.00 0.00 H new ATOM 0 HA SER A 92 8.945 15.527 -9.396 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.075 14.748 -9.884 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.398 16.336 -9.216 1.00 0.00 H new ATOM 0 HG SER A 92 6.373 16.347 -11.536 1.00 0.00 H new ATOM 1437 N VAL A 93 8.703 16.034 -6.993 1.00 0.00 N ATOM 1438 CA VAL A 93 8.649 16.297 -5.560 1.00 0.00 C ATOM 1439 C VAL A 93 7.241 16.690 -5.126 1.00 0.00 C ATOM 1440 O VAL A 93 6.601 17.534 -5.751 1.00 0.00 O ATOM 1441 CB VAL A 93 9.629 17.414 -5.157 1.00 0.00 C ATOM 1442 CG1 VAL A 93 9.423 18.645 -6.026 1.00 0.00 C ATOM 1443 CG2 VAL A 93 9.467 17.758 -3.684 1.00 0.00 C ATOM 0 H VAL A 93 9.399 16.584 -7.496 1.00 0.00 H new ATOM 0 HA VAL A 93 8.936 15.373 -5.058 1.00 0.00 H new ATOM 0 HB VAL A 93 10.646 17.055 -5.313 1.00 0.00 H new ATOM 0 HG11 VAL A 93 10.125 19.424 -5.726 1.00 0.00 H new ATOM 0 HG12 VAL A 93 9.594 18.385 -7.071 1.00 0.00 H new ATOM 0 HG13 VAL A 93 8.403 19.009 -5.905 1.00 0.00 H new ATOM 0 HG21 VAL A 93 10.167 18.549 -3.416 1.00 0.00 H new ATOM 0 HG22 VAL A 93 8.448 18.098 -3.500 1.00 0.00 H new ATOM 0 HG23 VAL A 93 9.670 16.874 -3.079 1.00 0.00 H new ATOM 1453 N GLY A 94 6.764 16.070 -4.051 1.00 0.00 N ATOM 1454 CA GLY A 94 5.435 16.369 -3.551 1.00 0.00 C ATOM 1455 C GLY A 94 4.730 15.141 -3.010 1.00 0.00 C ATOM 1456 O GLY A 94 5.308 14.055 -2.964 1.00 0.00 O ATOM 0 H GLY A 94 7.274 15.366 -3.518 1.00 0.00 H new ATOM 0 HA2 GLY A 94 5.507 17.120 -2.764 1.00 0.00 H new ATOM 0 HA3 GLY A 94 4.838 16.804 -4.353 1.00 0.00 H new ATOM 1460 N ASP A 95 3.478 15.312 -2.599 1.00 0.00 N ATOM 1461 CA ASP A 95 2.693 14.209 -2.058 1.00 0.00 C ATOM 1462 C ASP A 95 2.116 13.351 -3.180 1.00 0.00 C ATOM 1463 O ASP A 95 1.579 13.871 -4.160 1.00 0.00 O ATOM 1464 CB ASP A 95 1.564 14.743 -1.176 1.00 0.00 C ATOM 1465 CG ASP A 95 0.352 13.832 -1.171 1.00 0.00 C ATOM 1466 OD1 ASP A 95 0.509 12.639 -0.837 1.00 0.00 O ATOM 1467 OD2 ASP A 95 -0.752 14.312 -1.502 1.00 0.00 O ATOM 0 H ASP A 95 2.985 16.204 -2.630 1.00 0.00 H new ATOM 0 HA ASP A 95 3.354 13.588 -1.453 1.00 0.00 H new ATOM 0 HB2 ASP A 95 1.929 14.862 -0.156 1.00 0.00 H new ATOM 0 HB3 ASP A 95 1.270 15.732 -1.527 1.00 0.00 H new ATOM 1472 N HIS A 96 2.230 12.035 -3.031 1.00 0.00 N ATOM 1473 CA HIS A 96 1.720 11.105 -4.032 1.00 0.00 C ATOM 1474 C HIS A 96 0.840 10.040 -3.386 1.00 0.00 C ATOM 1475 O HIS A 96 1.337 9.129 -2.723 1.00 0.00 O ATOM 1476 CB HIS A 96 2.877 10.443 -4.780 1.00 0.00 C ATOM 1477 CG HIS A 96 3.484 11.313 -5.838 1.00 0.00 C ATOM 1478 ND1 HIS A 96 3.213 11.164 -7.181 1.00 0.00 N ATOM 1479 CD2 HIS A 96 4.351 12.348 -5.743 1.00 0.00 C ATOM 1480 CE1 HIS A 96 3.888 12.068 -7.867 1.00 0.00 C ATOM 1481 NE2 HIS A 96 4.587 12.800 -7.018 1.00 0.00 N ATOM 0 H HIS A 96 2.671 11.589 -2.227 1.00 0.00 H new ATOM 0 HA HIS A 96 1.115 11.669 -4.741 1.00 0.00 H new ATOM 0 HB2 HIS A 96 3.650 10.164 -4.063 1.00 0.00 H new ATOM 0 HB3 HIS A 96 2.521 9.521 -5.240 1.00 0.00 H new ATOM 0 HD2 HIS A 96 4.778 12.745 -4.834 1.00 0.00 H new ATOM 0 HE1 HIS A 96 3.871 12.189 -8.940 1.00 0.00 H new ATOM 0 HE2 HIS A 96 5.202 13.574 -7.269 1.00 0.00 H new ATOM 1490 N SER A 97 -0.469 10.161 -3.582 1.00 0.00 N ATOM 1491 CA SER A 97 -1.418 9.212 -3.014 1.00 0.00 C ATOM 1492 C SER A 97 -1.993 8.304 -4.098 1.00 0.00 C ATOM 1493 O SER A 97 -2.493 8.776 -5.118 1.00 0.00 O ATOM 1494 CB SER A 97 -2.551 9.954 -2.302 1.00 0.00 C ATOM 1495 OG SER A 97 -3.257 10.791 -3.201 1.00 0.00 O ATOM 0 H SER A 97 -0.896 10.908 -4.130 1.00 0.00 H new ATOM 0 HA SER A 97 -0.886 8.594 -2.290 1.00 0.00 H new ATOM 0 HB2 SER A 97 -3.237 9.234 -1.856 1.00 0.00 H new ATOM 0 HB3 SER A 97 -2.143 10.552 -1.488 1.00 0.00 H new ATOM 0 HG SER A 97 -3.162 10.445 -4.113 1.00 0.00 H new ATOM 1501 N GLY A 98 -1.917 6.997 -3.868 1.00 0.00 N ATOM 1502 CA GLY A 98 -2.433 6.043 -4.832 1.00 0.00 C ATOM 1503 C GLY A 98 -3.375 5.034 -4.204 1.00 0.00 C ATOM 1504 O GLY A 98 -4.132 5.367 -3.292 1.00 0.00 O ATOM 0 H GLY A 98 -1.507 6.582 -3.031 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -2.956 6.579 -5.624 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -1.600 5.516 -5.299 1.00 0.00 H new ATOM 1508 N ARG A 99 -3.329 3.800 -4.693 1.00 0.00 N ATOM 1509 CA ARG A 99 -4.187 2.741 -4.175 1.00 0.00 C ATOM 1510 C ARG A 99 -3.712 1.372 -4.656 1.00 0.00 C ATOM 1511 O ARG A 99 -3.107 1.252 -5.722 1.00 0.00 O ATOM 1512 CB ARG A 99 -5.636 2.971 -4.610 1.00 0.00 C ATOM 1513 CG ARG A 99 -6.655 2.277 -3.721 1.00 0.00 C ATOM 1514 CD ARG A 99 -8.077 2.551 -4.186 1.00 0.00 C ATOM 1515 NE ARG A 99 -8.591 3.814 -3.663 1.00 0.00 N ATOM 1516 CZ ARG A 99 -9.863 4.184 -3.755 1.00 0.00 C ATOM 1517 NH1 ARG A 99 -10.746 3.391 -4.347 1.00 0.00 N ATOM 1518 NH2 ARG A 99 -10.254 5.349 -3.255 1.00 0.00 N ATOM 0 H ARG A 99 -2.707 3.508 -5.447 1.00 0.00 H new ATOM 0 HA ARG A 99 -4.133 2.764 -3.087 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -5.840 4.042 -4.615 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -5.760 2.619 -5.634 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -6.471 1.203 -3.724 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -6.535 2.618 -2.693 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -8.104 2.572 -5.275 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -8.726 1.736 -3.867 1.00 0.00 H new ATOM 0 HE ARG A 99 -7.937 4.447 -3.202 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -10.449 2.495 -4.733 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -11.723 3.677 -4.416 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -9.577 5.961 -2.799 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -11.231 5.632 -3.326 1.00 0.00 H new ATOM 1532 N LEU A 100 -3.989 0.344 -3.862 1.00 0.00 N ATOM 1533 CA LEU A 100 -3.589 -1.017 -4.206 1.00 0.00 C ATOM 1534 C LEU A 100 -4.811 -1.904 -4.425 1.00 0.00 C ATOM 1535 O LEU A 100 -5.722 -1.938 -3.597 1.00 0.00 O ATOM 1536 CB LEU A 100 -2.709 -1.605 -3.101 1.00 0.00 C ATOM 1537 CG LEU A 100 -1.300 -1.023 -2.985 1.00 0.00 C ATOM 1538 CD1 LEU A 100 -0.660 -1.435 -1.668 1.00 0.00 C ATOM 1539 CD2 LEU A 100 -0.441 -1.466 -4.160 1.00 0.00 C ATOM 0 H LEU A 100 -4.488 0.426 -2.976 1.00 0.00 H new ATOM 0 HA LEU A 100 -3.019 -0.979 -5.134 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -3.217 -1.467 -2.147 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -2.625 -2.679 -3.264 1.00 0.00 H new ATOM 0 HG LEU A 100 -1.374 0.064 -3.005 1.00 0.00 H new ATOM 0 HD11 LEU A 100 0.342 -1.012 -1.603 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -1.264 -1.067 -0.839 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -0.599 -2.522 -1.618 1.00 0.00 H new ATOM 0 HD21 LEU A 100 0.558 -1.042 -4.060 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.374 -2.554 -4.172 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -0.891 -1.120 -5.091 1.00 0.00 H new ATOM 1551 N ILE A 101 -4.821 -2.621 -5.543 1.00 0.00 N ATOM 1552 CA ILE A 101 -5.929 -3.511 -5.868 1.00 0.00 C ATOM 1553 C ILE A 101 -5.569 -4.965 -5.580 1.00 0.00 C ATOM 1554 O ILE A 101 -4.856 -5.604 -6.353 1.00 0.00 O ATOM 1555 CB ILE A 101 -6.341 -3.380 -7.347 1.00 0.00 C ATOM 1556 CG1 ILE A 101 -6.596 -1.913 -7.699 1.00 0.00 C ATOM 1557 CG2 ILE A 101 -7.577 -4.221 -7.629 1.00 0.00 C ATOM 1558 CD1 ILE A 101 -7.931 -1.397 -7.209 1.00 0.00 C ATOM 0 H ILE A 101 -4.075 -2.603 -6.239 1.00 0.00 H new ATOM 0 HA ILE A 101 -6.767 -3.215 -5.237 1.00 0.00 H new ATOM 0 HB ILE A 101 -5.526 -3.748 -7.970 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -5.801 -1.302 -7.272 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -6.544 -1.793 -8.781 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -7.856 -4.118 -8.678 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -7.362 -5.267 -7.412 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -8.400 -3.881 -7.000 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -8.044 -0.351 -7.494 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -8.734 -1.983 -7.656 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -7.979 -1.484 -6.124 1.00 0.00 H new ATOM 1570 N VAL A 102 -6.071 -5.482 -4.463 1.00 0.00 N ATOM 1571 CA VAL A 102 -5.805 -6.862 -4.073 1.00 0.00 C ATOM 1572 C VAL A 102 -6.939 -7.784 -4.508 1.00 0.00 C ATOM 1573 O VAL A 102 -8.089 -7.602 -4.106 1.00 0.00 O ATOM 1574 CB VAL A 102 -5.612 -6.987 -2.550 1.00 0.00 C ATOM 1575 CG1 VAL A 102 -5.428 -8.444 -2.153 1.00 0.00 C ATOM 1576 CG2 VAL A 102 -4.428 -6.149 -2.093 1.00 0.00 C ATOM 0 H VAL A 102 -6.664 -4.966 -3.812 1.00 0.00 H new ATOM 0 HA VAL A 102 -4.885 -7.161 -4.574 1.00 0.00 H new ATOM 0 HB VAL A 102 -6.508 -6.610 -2.056 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -5.293 -8.513 -1.074 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -6.309 -9.015 -2.446 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -4.550 -8.850 -2.655 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -4.306 -6.249 -1.014 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -3.523 -6.494 -2.594 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -4.605 -5.103 -2.343 1.00 0.00 H new ATOM 1586 N CYS A 103 -6.607 -8.772 -5.331 1.00 0.00 N ATOM 1587 CA CYS A 103 -7.598 -9.724 -5.821 1.00 0.00 C ATOM 1588 C CYS A 103 -7.429 -11.081 -5.147 1.00 0.00 C ATOM 1589 O CYS A 103 -6.349 -11.672 -5.180 1.00 0.00 O ATOM 1590 CB CYS A 103 -7.482 -9.876 -7.339 1.00 0.00 C ATOM 1591 SG CYS A 103 -9.020 -10.370 -8.151 1.00 0.00 S ATOM 0 H CYS A 103 -5.660 -8.935 -5.673 1.00 0.00 H new ATOM 0 HA CYS A 103 -8.588 -9.339 -5.576 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -7.147 -8.930 -7.764 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -6.712 -10.615 -7.562 1.00 0.00 H new ATOM 0 HG CYS A 103 -8.822 -10.470 -9.432 1.00 0.00 H new ATOM 1597 N TYR A 104 -8.502 -11.569 -4.535 1.00 0.00 N ATOM 1598 CA TYR A 104 -8.471 -12.856 -3.849 1.00 0.00 C ATOM 1599 C TYR A 104 -8.958 -13.974 -4.765 1.00 0.00 C ATOM 1600 O TYR A 104 -9.618 -13.722 -5.773 1.00 0.00 O ATOM 1601 CB TYR A 104 -9.332 -12.804 -2.586 1.00 0.00 C ATOM 1602 CG TYR A 104 -8.679 -12.070 -1.437 1.00 0.00 C ATOM 1603 CD1 TYR A 104 -8.575 -10.684 -1.441 1.00 0.00 C ATOM 1604 CD2 TYR A 104 -8.167 -12.762 -0.346 1.00 0.00 C ATOM 1605 CE1 TYR A 104 -7.979 -10.009 -0.394 1.00 0.00 C ATOM 1606 CE2 TYR A 104 -7.570 -12.095 0.707 1.00 0.00 C ATOM 1607 CZ TYR A 104 -7.478 -10.719 0.678 1.00 0.00 C ATOM 1608 OH TYR A 104 -6.884 -10.050 1.724 1.00 0.00 O ATOM 0 H TYR A 104 -9.404 -11.094 -4.500 1.00 0.00 H new ATOM 0 HA TYR A 104 -7.439 -13.065 -3.569 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -10.280 -12.321 -2.823 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -9.563 -13.822 -2.272 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -8.967 -10.125 -2.278 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -8.237 -13.839 -0.321 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -7.905 -8.932 -0.414 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -7.178 -12.648 1.548 1.00 0.00 H new ATOM 0 HH TYR A 104 -7.458 -10.106 2.516 1.00 0.00 H new ATOM 1618 N ASP A 105 -8.628 -15.210 -4.406 1.00 0.00 N ATOM 1619 CA ASP A 105 -9.033 -16.368 -5.194 1.00 0.00 C ATOM 1620 C ASP A 105 -10.551 -16.429 -5.332 1.00 0.00 C ATOM 1621 O ASP A 105 -11.076 -16.812 -6.377 1.00 0.00 O ATOM 1622 CB ASP A 105 -8.515 -17.655 -4.551 1.00 0.00 C ATOM 1623 CG ASP A 105 -9.014 -18.899 -5.260 1.00 0.00 C ATOM 1624 OD1 ASP A 105 -8.734 -19.046 -6.468 1.00 0.00 O ATOM 1625 OD2 ASP A 105 -9.684 -19.725 -4.607 1.00 0.00 O ATOM 0 H ASP A 105 -8.081 -15.435 -3.575 1.00 0.00 H new ATOM 0 HA ASP A 105 -8.600 -16.268 -6.189 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -7.425 -17.648 -4.559 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -8.826 -17.686 -3.507 1.00 0.00 H new ATOM 1630 N THR A 106 -11.252 -16.048 -4.268 1.00 0.00 N ATOM 1631 CA THR A 106 -12.709 -16.061 -4.269 1.00 0.00 C ATOM 1632 C THR A 106 -13.268 -14.986 -5.194 1.00 0.00 C ATOM 1633 O THR A 106 -14.135 -15.257 -6.024 1.00 0.00 O ATOM 1634 CB THR A 106 -13.274 -15.847 -2.851 1.00 0.00 C ATOM 1635 OG1 THR A 106 -12.975 -14.522 -2.400 1.00 0.00 O ATOM 1636 CG2 THR A 106 -12.694 -16.863 -1.879 1.00 0.00 C ATOM 0 H THR A 106 -10.834 -15.727 -3.395 1.00 0.00 H new ATOM 0 HA THR A 106 -13.016 -17.043 -4.630 1.00 0.00 H new ATOM 0 HB THR A 106 -14.355 -15.981 -2.890 1.00 0.00 H new ATOM 0 HG1 THR A 106 -13.339 -14.393 -1.499 1.00 0.00 H new ATOM 0 HG21 THR A 106 -13.107 -16.692 -0.885 1.00 0.00 H new ATOM 0 HG22 THR A 106 -12.949 -17.870 -2.210 1.00 0.00 H new ATOM 0 HG23 THR A 106 -11.610 -16.756 -1.845 1.00 0.00 H new ATOM 1644 N GLY A 107 -12.766 -13.764 -5.045 1.00 0.00 N ATOM 1645 CA GLY A 107 -13.227 -12.667 -5.875 1.00 0.00 C ATOM 1646 C GLY A 107 -13.446 -11.393 -5.083 1.00 0.00 C ATOM 1647 O GLY A 107 -14.390 -10.648 -5.344 1.00 0.00 O ATOM 0 H GLY A 107 -12.048 -13.514 -4.364 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -12.498 -12.480 -6.663 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -14.159 -12.952 -6.364 1.00 0.00 H new ATOM 1651 N GLU A 108 -12.573 -11.144 -4.112 1.00 0.00 N ATOM 1652 CA GLU A 108 -12.678 -9.953 -3.278 1.00 0.00 C ATOM 1653 C GLU A 108 -11.654 -8.903 -3.698 1.00 0.00 C ATOM 1654 O GLU A 108 -10.589 -9.231 -4.223 1.00 0.00 O ATOM 1655 CB GLU A 108 -12.478 -10.316 -1.805 1.00 0.00 C ATOM 1656 CG GLU A 108 -13.752 -10.771 -1.112 1.00 0.00 C ATOM 1657 CD GLU A 108 -13.597 -10.860 0.394 1.00 0.00 C ATOM 1658 OE1 GLU A 108 -12.688 -10.197 0.936 1.00 0.00 O ATOM 1659 OE2 GLU A 108 -14.384 -11.592 1.029 1.00 0.00 O ATOM 0 H GLU A 108 -11.786 -11.751 -3.884 1.00 0.00 H new ATOM 0 HA GLU A 108 -13.676 -9.535 -3.410 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -11.732 -11.108 -1.733 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -12.077 -9.451 -1.277 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -14.558 -10.077 -1.350 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -14.045 -11.746 -1.502 1.00 0.00 H new ATOM 1666 N LYS A 109 -11.983 -7.637 -3.464 1.00 0.00 N ATOM 1667 CA LYS A 109 -11.094 -6.536 -3.816 1.00 0.00 C ATOM 1668 C LYS A 109 -10.870 -5.614 -2.622 1.00 0.00 C ATOM 1669 O LYS A 109 -11.821 -5.194 -1.962 1.00 0.00 O ATOM 1670 CB LYS A 109 -11.673 -5.741 -4.988 1.00 0.00 C ATOM 1671 CG LYS A 109 -11.136 -6.174 -6.341 1.00 0.00 C ATOM 1672 CD LYS A 109 -11.060 -5.006 -7.310 1.00 0.00 C ATOM 1673 CE LYS A 109 -12.445 -4.557 -7.753 1.00 0.00 C ATOM 1674 NZ LYS A 109 -12.436 -4.020 -9.141 1.00 0.00 N ATOM 0 H LYS A 109 -12.860 -7.348 -3.031 1.00 0.00 H new ATOM 0 HA LYS A 109 -10.133 -6.958 -4.111 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -12.758 -5.846 -4.987 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -11.455 -4.683 -4.842 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -10.145 -6.611 -6.217 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -11.777 -6.951 -6.756 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -10.540 -4.173 -6.837 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -10.473 -5.293 -8.182 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -13.136 -5.398 -7.693 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -12.815 -3.792 -7.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -13.398 -3.725 -9.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -11.796 -3.202 -9.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -12.108 -4.758 -9.796 1.00 0.00 H new ATOM 1688 N VAL A 110 -9.607 -5.300 -2.350 1.00 0.00 N ATOM 1689 CA VAL A 110 -9.260 -4.425 -1.237 1.00 0.00 C ATOM 1690 C VAL A 110 -8.647 -3.121 -1.734 1.00 0.00 C ATOM 1691 O VAL A 110 -7.899 -3.107 -2.713 1.00 0.00 O ATOM 1692 CB VAL A 110 -8.273 -5.109 -0.272 1.00 0.00 C ATOM 1693 CG1 VAL A 110 -8.364 -6.622 -0.399 1.00 0.00 C ATOM 1694 CG2 VAL A 110 -6.853 -4.628 -0.534 1.00 0.00 C ATOM 0 H VAL A 110 -8.808 -5.639 -2.885 1.00 0.00 H new ATOM 0 HA VAL A 110 -10.186 -4.208 -0.704 1.00 0.00 H new ATOM 0 HB VAL A 110 -8.542 -4.837 0.749 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -7.660 -7.088 0.290 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -9.376 -6.947 -0.158 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -8.121 -6.917 -1.420 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -6.169 -5.121 0.156 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -6.571 -4.869 -1.559 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -6.801 -3.549 -0.387 1.00 0.00 H new ATOM 1704 N PHE A 111 -8.967 -2.025 -1.054 1.00 0.00 N ATOM 1705 CA PHE A 111 -8.448 -0.715 -1.426 1.00 0.00 C ATOM 1706 C PHE A 111 -7.621 -0.115 -0.293 1.00 0.00 C ATOM 1707 O PHE A 111 -8.158 0.274 0.744 1.00 0.00 O ATOM 1708 CB PHE A 111 -9.597 0.228 -1.789 1.00 0.00 C ATOM 1709 CG PHE A 111 -10.384 -0.219 -2.988 1.00 0.00 C ATOM 1710 CD1 PHE A 111 -9.764 -0.388 -4.215 1.00 0.00 C ATOM 1711 CD2 PHE A 111 -11.743 -0.469 -2.887 1.00 0.00 C ATOM 1712 CE1 PHE A 111 -10.486 -0.799 -5.320 1.00 0.00 C ATOM 1713 CE2 PHE A 111 -12.470 -0.880 -3.988 1.00 0.00 C ATOM 1714 CZ PHE A 111 -11.840 -1.046 -5.206 1.00 0.00 C ATOM 0 H PHE A 111 -9.584 -2.019 -0.242 1.00 0.00 H new ATOM 0 HA PHE A 111 -7.802 -0.841 -2.295 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -10.269 0.314 -0.935 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -9.194 1.223 -1.979 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -8.705 -0.197 -4.309 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -12.240 -0.341 -1.937 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -9.992 -0.927 -6.272 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -13.529 -1.071 -3.896 1.00 0.00 H new ATOM 0 HZ PHE A 111 -12.405 -1.368 -6.068 1.00 0.00 H new ATOM 1724 N VAL A 112 -6.310 -0.043 -0.499 1.00 0.00 N ATOM 1725 CA VAL A 112 -5.407 0.509 0.504 1.00 0.00 C ATOM 1726 C VAL A 112 -4.727 1.775 -0.006 1.00 0.00 C ATOM 1727 O VAL A 112 -3.813 1.712 -0.828 1.00 0.00 O ATOM 1728 CB VAL A 112 -4.328 -0.512 0.912 1.00 0.00 C ATOM 1729 CG1 VAL A 112 -3.390 0.088 1.948 1.00 0.00 C ATOM 1730 CG2 VAL A 112 -4.972 -1.786 1.437 1.00 0.00 C ATOM 0 H VAL A 112 -5.849 -0.360 -1.352 1.00 0.00 H new ATOM 0 HA VAL A 112 -6.014 0.752 1.376 1.00 0.00 H new ATOM 0 HB VAL A 112 -3.741 -0.766 0.030 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -2.635 -0.648 2.224 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -2.903 0.969 1.531 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -3.959 0.373 2.833 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -4.195 -2.496 1.721 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -5.585 -1.552 2.307 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -5.598 -2.224 0.660 1.00 0.00 H new ATOM 1740 N SER A 113 -5.180 2.923 0.488 1.00 0.00 N ATOM 1741 CA SER A 113 -4.617 4.205 0.080 1.00 0.00 C ATOM 1742 C SER A 113 -3.101 4.212 0.252 1.00 0.00 C ATOM 1743 O SER A 113 -2.576 3.739 1.261 1.00 0.00 O ATOM 1744 CB SER A 113 -5.239 5.341 0.893 1.00 0.00 C ATOM 1745 OG SER A 113 -6.635 5.430 0.661 1.00 0.00 O ATOM 0 H SER A 113 -5.935 2.992 1.171 1.00 0.00 H new ATOM 0 HA SER A 113 -4.846 4.355 -0.975 1.00 0.00 H new ATOM 0 HB2 SER A 113 -5.053 5.177 1.954 1.00 0.00 H new ATOM 0 HB3 SER A 113 -4.762 6.285 0.629 1.00 0.00 H new ATOM 0 HG SER A 113 -7.009 6.163 1.194 1.00 0.00 H new ATOM 1751 N LEU A 114 -2.402 4.753 -0.740 1.00 0.00 N ATOM 1752 CA LEU A 114 -0.946 4.823 -0.701 1.00 0.00 C ATOM 1753 C LEU A 114 -0.477 6.238 -0.377 1.00 0.00 C ATOM 1754 O LEU A 114 -1.213 7.206 -0.571 1.00 0.00 O ATOM 1755 CB LEU A 114 -0.357 4.372 -2.039 1.00 0.00 C ATOM 1756 CG LEU A 114 -0.441 2.875 -2.338 1.00 0.00 C ATOM 1757 CD1 LEU A 114 0.033 2.587 -3.754 1.00 0.00 C ATOM 1758 CD2 LEU A 114 0.377 2.083 -1.329 1.00 0.00 C ATOM 0 H LEU A 114 -2.821 5.150 -1.581 1.00 0.00 H new ATOM 0 HA LEU A 114 -0.596 4.155 0.086 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -0.867 4.911 -2.838 1.00 0.00 H new ATOM 0 HB3 LEU A 114 0.691 4.670 -2.071 1.00 0.00 H new ATOM 0 HG LEU A 114 -1.483 2.565 -2.255 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -0.034 1.517 -3.949 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -0.595 3.125 -4.464 1.00 0.00 H new ATOM 0 HD13 LEU A 114 1.067 2.912 -3.865 1.00 0.00 H new ATOM 0 HD21 LEU A 114 0.306 1.020 -1.557 1.00 0.00 H new ATOM 0 HD22 LEU A 114 1.420 2.396 -1.380 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -0.008 2.265 -0.326 1.00 0.00 H new ATOM 1770 N TYR A 115 0.751 6.351 0.115 1.00 0.00 N ATOM 1771 CA TYR A 115 1.318 7.648 0.466 1.00 0.00 C ATOM 1772 C TYR A 115 2.834 7.645 0.292 1.00 0.00 C ATOM 1773 O TYR A 115 3.448 6.594 0.115 1.00 0.00 O ATOM 1774 CB TYR A 115 0.960 8.012 1.907 1.00 0.00 C ATOM 1775 CG TYR A 115 -0.154 9.029 2.016 1.00 0.00 C ATOM 1776 CD1 TYR A 115 0.035 10.342 1.601 1.00 0.00 C ATOM 1777 CD2 TYR A 115 -1.395 8.677 2.533 1.00 0.00 C ATOM 1778 CE1 TYR A 115 -0.979 11.274 1.700 1.00 0.00 C ATOM 1779 CE2 TYR A 115 -2.415 9.603 2.634 1.00 0.00 C ATOM 1780 CZ TYR A 115 -2.202 10.900 2.216 1.00 0.00 C ATOM 1781 OH TYR A 115 -3.216 11.826 2.315 1.00 0.00 O ATOM 0 H TYR A 115 1.374 5.560 0.280 1.00 0.00 H new ATOM 0 HA TYR A 115 0.895 8.395 -0.206 1.00 0.00 H new ATOM 0 HB2 TYR A 115 0.668 7.107 2.440 1.00 0.00 H new ATOM 0 HB3 TYR A 115 1.847 8.403 2.405 1.00 0.00 H new ATOM 0 HD1 TYR A 115 0.991 10.638 1.194 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -1.565 7.662 2.861 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -0.815 12.291 1.375 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -3.374 9.313 3.038 1.00 0.00 H new ATOM 0 HH TYR A 115 -4.011 11.400 2.698 1.00 0.00 H new ATOM 1791 N GLY A 116 3.432 8.831 0.345 1.00 0.00 N ATOM 1792 CA GLY A 116 4.870 8.945 0.192 1.00 0.00 C ATOM 1793 C GLY A 116 5.310 10.360 -0.126 1.00 0.00 C ATOM 1794 O GLY A 116 5.805 10.632 -1.220 1.00 0.00 O ATOM 0 H GLY A 116 2.946 9.716 0.491 1.00 0.00 H new ATOM 0 HA2 GLY A 116 5.357 8.614 1.109 1.00 0.00 H new ATOM 0 HA3 GLY A 116 5.201 8.278 -0.603 1.00 0.00 H new ATOM 1798 N ALA A 117 5.127 11.264 0.830 1.00 0.00 N ATOM 1799 CA ALA A 117 5.509 12.659 0.646 1.00 0.00 C ATOM 1800 C ALA A 117 6.955 12.775 0.176 1.00 0.00 C ATOM 1801 O ALA A 117 7.887 12.646 0.969 1.00 0.00 O ATOM 1802 CB ALA A 117 5.307 13.436 1.938 1.00 0.00 C ATOM 0 H ALA A 117 4.716 11.056 1.740 1.00 0.00 H new ATOM 0 HA ALA A 117 4.869 13.087 -0.126 1.00 0.00 H new ATOM 0 HB1 ALA A 117 5.596 14.476 1.786 1.00 0.00 H new ATOM 0 HB2 ALA A 117 4.258 13.390 2.230 1.00 0.00 H new ATOM 0 HB3 ALA A 117 5.922 13.000 2.725 1.00 0.00 H new ATOM 1808 N ALA A 118 7.134 13.018 -1.118 1.00 0.00 N ATOM 1809 CA ALA A 118 8.467 13.153 -1.693 1.00 0.00 C ATOM 1810 C ALA A 118 9.088 14.497 -1.329 1.00 0.00 C ATOM 1811 O ALA A 118 8.394 15.413 -0.888 1.00 0.00 O ATOM 1812 CB ALA A 118 8.409 12.988 -3.204 1.00 0.00 C ATOM 0 H ALA A 118 6.373 13.125 -1.788 1.00 0.00 H new ATOM 0 HA ALA A 118 9.097 12.367 -1.277 1.00 0.00 H new ATOM 0 HB1 ALA A 118 9.411 13.091 -3.620 1.00 0.00 H new ATOM 0 HB2 ALA A 118 8.015 12.001 -3.447 1.00 0.00 H new ATOM 0 HB3 ALA A 118 7.759 13.753 -3.629 1.00 0.00 H new ATOM 1818 N ILE A 119 10.399 14.607 -1.515 1.00 0.00 N ATOM 1819 CA ILE A 119 11.113 15.840 -1.207 1.00 0.00 C ATOM 1820 C ILE A 119 12.238 16.089 -2.206 1.00 0.00 C ATOM 1821 O ILE A 119 12.905 15.155 -2.651 1.00 0.00 O ATOM 1822 CB ILE A 119 11.704 15.807 0.215 1.00 0.00 C ATOM 1823 CG1 ILE A 119 12.525 14.532 0.421 1.00 0.00 C ATOM 1824 CG2 ILE A 119 10.594 15.902 1.252 1.00 0.00 C ATOM 1825 CD1 ILE A 119 14.000 14.711 0.137 1.00 0.00 C ATOM 0 H ILE A 119 10.988 13.857 -1.877 1.00 0.00 H new ATOM 0 HA ILE A 119 10.386 16.650 -1.272 1.00 0.00 H new ATOM 0 HB ILE A 119 12.364 16.665 0.338 1.00 0.00 H new ATOM 0 HG12 ILE A 119 12.400 14.191 1.449 1.00 0.00 H new ATOM 0 HG13 ILE A 119 12.131 13.748 -0.225 1.00 0.00 H new ATOM 0 HG21 ILE A 119 11.027 15.877 2.252 1.00 0.00 H new ATOM 0 HG22 ILE A 119 10.048 16.835 1.116 1.00 0.00 H new ATOM 0 HG23 ILE A 119 9.911 15.061 1.132 1.00 0.00 H new ATOM 0 HD11 ILE A 119 14.520 13.767 0.304 1.00 0.00 H new ATOM 0 HD12 ILE A 119 14.136 15.022 -0.899 1.00 0.00 H new ATOM 0 HD13 ILE A 119 14.409 15.472 0.801 1.00 0.00 H new ATOM 1837 N ASP A 120 12.442 17.354 -2.555 1.00 0.00 N ATOM 1838 CA ASP A 120 13.488 17.728 -3.500 1.00 0.00 C ATOM 1839 C ASP A 120 14.868 17.591 -2.865 1.00 0.00 C ATOM 1840 O ASP A 120 15.144 18.184 -1.822 1.00 0.00 O ATOM 1841 CB ASP A 120 13.276 19.162 -3.987 1.00 0.00 C ATOM 1842 CG ASP A 120 14.049 19.462 -5.256 1.00 0.00 C ATOM 1843 OD1 ASP A 120 13.840 18.750 -6.261 1.00 0.00 O ATOM 1844 OD2 ASP A 120 14.863 20.409 -5.245 1.00 0.00 O ATOM 0 H ASP A 120 11.897 18.138 -2.198 1.00 0.00 H new ATOM 0 HA ASP A 120 13.432 17.052 -4.353 1.00 0.00 H new ATOM 0 HB2 ASP A 120 12.214 19.329 -4.164 1.00 0.00 H new ATOM 0 HB3 ASP A 120 13.582 19.857 -3.205 1.00 0.00 H new