USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 567 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 74 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 84 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 46 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 49 MET CE :methyl -133:sc= 0 (180deg=-1.57!) USER MOD Set 3.1: A 38 THR OG1 : rot 180:sc= -0.0687 USER MOD Set 3.2: A 91 LYS NZ :NH3+ -159:sc= -0.0749 (180deg=-0.423) USER MOD Single : A 25 MET CE :methyl -177:sc= -0.305 (180deg=-0.327) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= -0.0722 USER MOD Single : A 45 THR OG1 : rot 114:sc= 0.169 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -128:sc= 1.09 (180deg=-0.0784) USER MOD Single : A 61 LYS NZ :NH3+ -151:sc= 2.47 (180deg=2.21) USER MOD Single : A 65 LYS NZ :NH3+ 166:sc= -0.0315 (180deg=-0.239) USER MOD Single : A 73 THR OG1 : rot -118:sc= 1.29 USER MOD Single : A 76 GLN : amide:sc= 0.519 K(o=0.52,f=-7.4!) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.0145 X(o=-0.015,f=0) USER MOD Single : A 80 LYS NZ :NH3+ -169:sc=-0.00279 (180deg=-0.119) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ -179:sc= 1.07 (180deg=1.06) USER MOD Single : A 90 LYS NZ :NH3+ 170:sc= 0.381 (180deg=0.343) USER MOD ----------------------------------------------------------------- ATOM 328 N ALA A 22 4.828 -6.417 3.570 1.00 0.00 N ATOM 329 CA ALA A 22 4.416 -5.208 2.853 1.00 0.00 C ATOM 330 C ALA A 22 4.287 -4.003 3.782 1.00 0.00 C ATOM 331 O ALA A 22 3.199 -3.459 3.974 1.00 0.00 O ATOM 332 CB ALA A 22 3.123 -5.453 2.089 1.00 0.00 C ATOM 0 HA ALA A 22 5.202 -4.971 2.136 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.833 -4.543 1.563 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.273 -6.257 1.368 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.335 -5.735 2.788 1.00 0.00 H new ATOM 338 N GLU A 23 5.409 -3.592 4.351 1.00 0.00 N ATOM 339 CA GLU A 23 5.430 -2.481 5.290 1.00 0.00 C ATOM 340 C GLU A 23 6.488 -1.456 4.878 1.00 0.00 C ATOM 341 O GLU A 23 7.363 -1.747 4.059 1.00 0.00 O ATOM 342 CB GLU A 23 5.699 -3.010 6.710 1.00 0.00 C ATOM 343 CG GLU A 23 5.668 -1.940 7.793 1.00 0.00 C ATOM 344 CD GLU A 23 5.895 -2.498 9.184 1.00 0.00 C ATOM 345 OE1 GLU A 23 7.048 -2.854 9.507 1.00 0.00 O ATOM 346 OE2 GLU A 23 4.923 -2.566 9.966 1.00 0.00 O ATOM 0 H GLU A 23 6.322 -4.013 4.178 1.00 0.00 H new ATOM 0 HA GLU A 23 4.460 -1.983 5.281 1.00 0.00 H new ATOM 0 HB2 GLU A 23 4.957 -3.773 6.948 1.00 0.00 H new ATOM 0 HB3 GLU A 23 6.674 -3.498 6.725 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.431 -1.192 7.579 1.00 0.00 H new ATOM 0 HG3 GLU A 23 4.705 -1.430 7.765 1.00 0.00 H new ATOM 353 N ILE A 24 6.379 -0.250 5.421 1.00 0.00 N ATOM 354 CA ILE A 24 7.378 0.785 5.207 1.00 0.00 C ATOM 355 C ILE A 24 8.497 0.632 6.234 1.00 0.00 C ATOM 356 O ILE A 24 8.246 0.636 7.440 1.00 0.00 O ATOM 357 CB ILE A 24 6.764 2.202 5.346 1.00 0.00 C ATOM 358 CG1 ILE A 24 5.716 2.452 4.256 1.00 0.00 C ATOM 359 CG2 ILE A 24 7.853 3.269 5.296 1.00 0.00 C ATOM 360 CD1 ILE A 24 6.302 2.617 2.871 1.00 0.00 C ATOM 0 H ILE A 24 5.602 0.035 6.017 1.00 0.00 H new ATOM 0 HA ILE A 24 7.767 0.672 4.195 1.00 0.00 H new ATOM 0 HB ILE A 24 6.269 2.262 6.315 1.00 0.00 H new ATOM 0 HG12 ILE A 24 5.011 1.621 4.245 1.00 0.00 H new ATOM 0 HG13 ILE A 24 5.149 3.348 4.509 1.00 0.00 H new ATOM 0 HG21 ILE A 24 7.400 4.256 5.395 1.00 0.00 H new ATOM 0 HG22 ILE A 24 8.557 3.109 6.113 1.00 0.00 H new ATOM 0 HG23 ILE A 24 8.381 3.206 4.344 1.00 0.00 H new ATOM 0 HD11 ILE A 24 5.499 2.790 2.154 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.985 3.467 2.864 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.845 1.713 2.596 1.00 0.00 H new ATOM 372 N MET A 25 9.723 0.488 5.767 1.00 0.00 N ATOM 373 CA MET A 25 10.859 0.343 6.670 1.00 0.00 C ATOM 374 C MET A 25 11.629 1.649 6.788 1.00 0.00 C ATOM 375 O MET A 25 11.824 2.351 5.795 1.00 0.00 O ATOM 376 CB MET A 25 11.799 -0.770 6.194 1.00 0.00 C ATOM 377 CG MET A 25 11.400 -2.162 6.667 1.00 0.00 C ATOM 378 SD MET A 25 9.741 -2.643 6.145 1.00 0.00 S ATOM 379 CE MET A 25 9.619 -4.277 6.865 1.00 0.00 C ATOM 0 H MET A 25 9.961 0.468 4.775 1.00 0.00 H new ATOM 0 HA MET A 25 10.467 0.076 7.651 1.00 0.00 H new ATOM 0 HB2 MET A 25 11.831 -0.763 5.105 1.00 0.00 H new ATOM 0 HB3 MET A 25 12.808 -0.554 6.544 1.00 0.00 H new ATOM 0 HG2 MET A 25 12.118 -2.888 6.286 1.00 0.00 H new ATOM 0 HG3 MET A 25 11.456 -2.199 7.755 1.00 0.00 H new ATOM 0 HE1 MET A 25 8.667 -4.728 6.584 1.00 0.00 H new ATOM 0 HE2 MET A 25 10.437 -4.898 6.499 1.00 0.00 H new ATOM 0 HE3 MET A 25 9.678 -4.202 7.951 1.00 0.00 H new ATOM 389 N LYS A 26 12.038 1.975 8.011 1.00 0.00 N ATOM 390 CA LYS A 26 12.911 3.113 8.263 1.00 0.00 C ATOM 391 C LYS A 26 14.215 2.914 7.513 1.00 0.00 C ATOM 392 O LYS A 26 14.661 1.786 7.368 1.00 0.00 O ATOM 393 CB LYS A 26 13.178 3.226 9.762 1.00 0.00 C ATOM 394 CG LYS A 26 11.940 3.570 10.572 1.00 0.00 C ATOM 395 CD LYS A 26 11.686 5.066 10.586 1.00 0.00 C ATOM 396 CE LYS A 26 12.703 5.785 11.456 1.00 0.00 C ATOM 397 NZ LYS A 26 12.535 7.258 11.404 1.00 0.00 N ATOM 0 H LYS A 26 11.774 1.459 8.850 1.00 0.00 H new ATOM 0 HA LYS A 26 12.435 4.031 7.919 1.00 0.00 H new ATOM 0 HB2 LYS A 26 13.588 2.283 10.122 1.00 0.00 H new ATOM 0 HB3 LYS A 26 13.937 3.989 9.932 1.00 0.00 H new ATOM 0 HG2 LYS A 26 11.075 3.056 10.153 1.00 0.00 H new ATOM 0 HG3 LYS A 26 12.060 3.210 11.594 1.00 0.00 H new ATOM 0 HD2 LYS A 26 11.733 5.455 9.569 1.00 0.00 H new ATOM 0 HD3 LYS A 26 10.680 5.264 10.957 1.00 0.00 H new ATOM 0 HE2 LYS A 26 12.604 5.445 12.487 1.00 0.00 H new ATOM 0 HE3 LYS A 26 13.709 5.523 11.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 13.248 7.710 12.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 12.655 7.587 10.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 11.584 7.511 11.740 1.00 0.00 H new ATOM 411 N LYS A 27 14.827 3.987 7.046 1.00 0.00 N ATOM 412 CA LYS A 27 16.009 3.870 6.200 1.00 0.00 C ATOM 413 C LYS A 27 17.158 3.182 6.939 1.00 0.00 C ATOM 414 O LYS A 27 17.917 2.424 6.342 1.00 0.00 O ATOM 415 CB LYS A 27 16.440 5.241 5.685 1.00 0.00 C ATOM 416 CG LYS A 27 17.531 5.177 4.627 1.00 0.00 C ATOM 417 CD LYS A 27 17.749 6.528 3.969 1.00 0.00 C ATOM 418 CE LYS A 27 18.809 6.445 2.883 1.00 0.00 C ATOM 419 NZ LYS A 27 18.929 7.720 2.130 1.00 0.00 N ATOM 0 H LYS A 27 14.531 4.945 7.234 1.00 0.00 H new ATOM 0 HA LYS A 27 15.746 3.247 5.345 1.00 0.00 H new ATOM 0 HB2 LYS A 27 15.572 5.754 5.270 1.00 0.00 H new ATOM 0 HB3 LYS A 27 16.793 5.841 6.524 1.00 0.00 H new ATOM 0 HG2 LYS A 27 18.462 4.839 5.083 1.00 0.00 H new ATOM 0 HG3 LYS A 27 17.261 4.441 3.869 1.00 0.00 H new ATOM 0 HD2 LYS A 27 16.812 6.882 3.540 1.00 0.00 H new ATOM 0 HD3 LYS A 27 18.051 7.257 4.721 1.00 0.00 H new ATOM 0 HE2 LYS A 27 19.771 6.196 3.332 1.00 0.00 H new ATOM 0 HE3 LYS A 27 18.561 5.638 2.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 19.662 7.623 1.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 18.018 7.945 1.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 19.191 8.486 2.783 1.00 0.00 H new ATOM 433 N THR A 28 17.270 3.424 8.238 1.00 0.00 N ATOM 434 CA THR A 28 18.290 2.765 9.043 1.00 0.00 C ATOM 435 C THR A 28 18.071 1.250 9.047 1.00 0.00 C ATOM 436 O THR A 28 19.015 0.472 8.912 1.00 0.00 O ATOM 437 CB THR A 28 18.283 3.295 10.491 1.00 0.00 C ATOM 438 OG1 THR A 28 18.294 4.732 10.489 1.00 0.00 O ATOM 439 CG2 THR A 28 19.484 2.783 11.267 1.00 0.00 C ATOM 0 H THR A 28 16.671 4.068 8.755 1.00 0.00 H new ATOM 0 HA THR A 28 19.260 2.987 8.598 1.00 0.00 H new ATOM 0 HB THR A 28 17.376 2.934 10.976 1.00 0.00 H new ATOM 0 HG1 THR A 28 18.288 5.060 11.412 1.00 0.00 H new ATOM 0 HG21 THR A 28 19.453 3.173 12.284 1.00 0.00 H new ATOM 0 HG22 THR A 28 19.462 1.694 11.295 1.00 0.00 H new ATOM 0 HG23 THR A 28 20.401 3.115 10.779 1.00 0.00 H new ATOM 447 N ASP A 29 16.817 0.844 9.178 1.00 0.00 N ATOM 448 CA ASP A 29 16.457 -0.568 9.127 1.00 0.00 C ATOM 449 C ASP A 29 16.520 -1.067 7.691 1.00 0.00 C ATOM 450 O ASP A 29 16.850 -2.216 7.447 1.00 0.00 O ATOM 451 CB ASP A 29 15.055 -0.772 9.710 1.00 0.00 C ATOM 452 CG ASP A 29 14.639 -2.229 9.771 1.00 0.00 C ATOM 453 OD1 ASP A 29 15.253 -2.991 10.549 1.00 0.00 O ATOM 454 OD2 ASP A 29 13.684 -2.611 9.063 1.00 0.00 O ATOM 0 H ASP A 29 16.028 1.474 9.321 1.00 0.00 H new ATOM 0 HA ASP A 29 17.166 -1.142 9.724 1.00 0.00 H new ATOM 0 HB2 ASP A 29 15.021 -0.349 10.714 1.00 0.00 H new ATOM 0 HB3 ASP A 29 14.334 -0.220 9.107 1.00 0.00 H new ATOM 459 N PHE A 30 16.238 -0.174 6.751 1.00 0.00 N ATOM 460 CA PHE A 30 16.276 -0.492 5.328 1.00 0.00 C ATOM 461 C PHE A 30 17.680 -0.909 4.899 1.00 0.00 C ATOM 462 O PHE A 30 17.846 -1.890 4.177 1.00 0.00 O ATOM 463 CB PHE A 30 15.791 0.709 4.502 1.00 0.00 C ATOM 464 CG PHE A 30 15.941 0.529 3.021 1.00 0.00 C ATOM 465 CD1 PHE A 30 15.137 -0.366 2.335 1.00 0.00 C ATOM 466 CD2 PHE A 30 16.885 1.259 2.314 1.00 0.00 C ATOM 467 CE1 PHE A 30 15.273 -0.531 0.973 1.00 0.00 C ATOM 468 CE2 PHE A 30 17.024 1.097 0.951 1.00 0.00 C ATOM 469 CZ PHE A 30 16.216 0.201 0.279 1.00 0.00 C ATOM 0 H PHE A 30 15.976 0.791 6.953 1.00 0.00 H new ATOM 0 HA PHE A 30 15.607 -1.333 5.147 1.00 0.00 H new ATOM 0 HB2 PHE A 30 14.742 0.895 4.731 1.00 0.00 H new ATOM 0 HB3 PHE A 30 16.346 1.596 4.808 1.00 0.00 H new ATOM 0 HD1 PHE A 30 14.396 -0.940 2.872 1.00 0.00 H new ATOM 0 HD2 PHE A 30 17.518 1.962 2.836 1.00 0.00 H new ATOM 0 HE1 PHE A 30 14.642 -1.233 0.449 1.00 0.00 H new ATOM 0 HE2 PHE A 30 17.763 1.670 0.411 1.00 0.00 H new ATOM 0 HZ PHE A 30 16.322 0.073 -0.788 1.00 0.00 H new ATOM 479 N ASP A 31 18.690 -0.170 5.348 1.00 0.00 N ATOM 480 CA ASP A 31 20.079 -0.511 5.035 1.00 0.00 C ATOM 481 C ASP A 31 20.463 -1.846 5.653 1.00 0.00 C ATOM 482 O ASP A 31 21.290 -2.582 5.114 1.00 0.00 O ATOM 483 CB ASP A 31 21.042 0.578 5.520 1.00 0.00 C ATOM 484 CG ASP A 31 21.137 1.753 4.568 1.00 0.00 C ATOM 485 OD1 ASP A 31 20.238 2.610 4.579 1.00 0.00 O ATOM 486 OD2 ASP A 31 22.132 1.829 3.817 1.00 0.00 O ATOM 0 H ASP A 31 18.577 0.663 5.926 1.00 0.00 H new ATOM 0 HA ASP A 31 20.157 -0.587 3.950 1.00 0.00 H new ATOM 0 HB2 ASP A 31 20.716 0.935 6.497 1.00 0.00 H new ATOM 0 HB3 ASP A 31 22.033 0.145 5.654 1.00 0.00 H new ATOM 491 N LYS A 32 19.861 -2.148 6.789 1.00 0.00 N ATOM 492 CA LYS A 32 20.084 -3.413 7.465 1.00 0.00 C ATOM 493 C LYS A 32 19.349 -4.553 6.764 1.00 0.00 C ATOM 494 O LYS A 32 19.919 -5.619 6.536 1.00 0.00 O ATOM 495 CB LYS A 32 19.636 -3.291 8.925 1.00 0.00 C ATOM 496 CG LYS A 32 20.724 -2.800 9.871 1.00 0.00 C ATOM 497 CD LYS A 32 21.289 -1.462 9.433 1.00 0.00 C ATOM 498 CE LYS A 32 22.303 -0.926 10.426 1.00 0.00 C ATOM 499 NZ LYS A 32 22.875 0.374 9.990 1.00 0.00 N ATOM 0 H LYS A 32 19.207 -1.527 7.267 1.00 0.00 H new ATOM 0 HA LYS A 32 21.148 -3.648 7.433 1.00 0.00 H new ATOM 0 HB2 LYS A 32 18.788 -2.608 8.978 1.00 0.00 H new ATOM 0 HB3 LYS A 32 19.283 -4.264 9.268 1.00 0.00 H new ATOM 0 HG2 LYS A 32 20.317 -2.711 10.878 1.00 0.00 H new ATOM 0 HG3 LYS A 32 21.526 -3.536 9.916 1.00 0.00 H new ATOM 0 HD2 LYS A 32 21.759 -1.568 8.455 1.00 0.00 H new ATOM 0 HD3 LYS A 32 20.477 -0.744 9.320 1.00 0.00 H new ATOM 0 HE2 LYS A 32 21.828 -0.805 11.400 1.00 0.00 H new ATOM 0 HE3 LYS A 32 23.106 -1.652 10.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 23.563 0.705 10.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 23.351 0.254 9.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 22.112 1.075 9.895 1.00 0.00 H new ATOM 513 N VAL A 33 18.099 -4.315 6.385 1.00 0.00 N ATOM 514 CA VAL A 33 17.296 -5.352 5.750 1.00 0.00 C ATOM 515 C VAL A 33 17.641 -5.475 4.275 1.00 0.00 C ATOM 516 O VAL A 33 17.196 -6.398 3.606 1.00 0.00 O ATOM 517 CB VAL A 33 15.773 -5.126 5.914 1.00 0.00 C ATOM 518 CG1 VAL A 33 15.388 -5.114 7.385 1.00 0.00 C ATOM 519 CG2 VAL A 33 15.326 -3.849 5.224 1.00 0.00 C ATOM 0 H VAL A 33 17.623 -3.421 6.505 1.00 0.00 H new ATOM 0 HA VAL A 33 17.542 -6.282 6.263 1.00 0.00 H new ATOM 0 HB VAL A 33 15.257 -5.957 5.433 1.00 0.00 H new ATOM 0 HG11 VAL A 33 14.314 -4.954 7.479 1.00 0.00 H new ATOM 0 HG12 VAL A 33 15.653 -6.069 7.838 1.00 0.00 H new ATOM 0 HG13 VAL A 33 15.920 -4.310 7.894 1.00 0.00 H new ATOM 0 HG21 VAL A 33 14.252 -3.720 5.358 1.00 0.00 H new ATOM 0 HG22 VAL A 33 15.851 -2.998 5.658 1.00 0.00 H new ATOM 0 HG23 VAL A 33 15.554 -3.911 4.160 1.00 0.00 H new ATOM 529 N ALA A 34 18.457 -4.553 3.775 1.00 0.00 N ATOM 530 CA ALA A 34 18.996 -4.671 2.427 1.00 0.00 C ATOM 531 C ALA A 34 19.881 -5.910 2.329 1.00 0.00 C ATOM 532 O ALA A 34 20.179 -6.399 1.241 1.00 0.00 O ATOM 533 CB ALA A 34 19.779 -3.425 2.047 1.00 0.00 C ATOM 0 H ALA A 34 18.758 -3.720 4.281 1.00 0.00 H new ATOM 0 HA ALA A 34 18.166 -4.773 1.728 1.00 0.00 H new ATOM 0 HB1 ALA A 34 20.172 -3.536 1.036 1.00 0.00 H new ATOM 0 HB2 ALA A 34 19.122 -2.556 2.087 1.00 0.00 H new ATOM 0 HB3 ALA A 34 20.605 -3.288 2.744 1.00 0.00 H new ATOM 539 N SER A 35 20.297 -6.403 3.485 1.00 0.00 N ATOM 540 CA SER A 35 21.080 -7.620 3.571 1.00 0.00 C ATOM 541 C SER A 35 20.155 -8.842 3.625 1.00 0.00 C ATOM 542 O SER A 35 20.515 -9.937 3.194 1.00 0.00 O ATOM 543 CB SER A 35 21.967 -7.560 4.824 1.00 0.00 C ATOM 544 OG SER A 35 22.821 -8.690 4.911 1.00 0.00 O ATOM 0 H SER A 35 20.100 -5.970 4.387 1.00 0.00 H new ATOM 0 HA SER A 35 21.712 -7.711 2.687 1.00 0.00 H new ATOM 0 HB2 SER A 35 22.567 -6.650 4.803 1.00 0.00 H new ATOM 0 HB3 SER A 35 21.339 -7.508 5.713 1.00 0.00 H new ATOM 0 HG SER A 35 23.373 -8.621 5.718 1.00 0.00 H new ATOM 550 N GLU A 36 18.951 -8.631 4.137 1.00 0.00 N ATOM 551 CA GLU A 36 18.012 -9.718 4.396 1.00 0.00 C ATOM 552 C GLU A 36 16.868 -9.743 3.384 1.00 0.00 C ATOM 553 O GLU A 36 15.922 -10.524 3.522 1.00 0.00 O ATOM 554 CB GLU A 36 17.442 -9.544 5.800 1.00 0.00 C ATOM 555 CG GLU A 36 18.483 -9.116 6.813 1.00 0.00 C ATOM 556 CD GLU A 36 17.938 -9.072 8.222 1.00 0.00 C ATOM 557 OE1 GLU A 36 17.395 -10.094 8.685 1.00 0.00 O ATOM 558 OE2 GLU A 36 18.029 -8.010 8.867 1.00 0.00 O ATOM 0 H GLU A 36 18.597 -7.707 4.384 1.00 0.00 H new ATOM 0 HA GLU A 36 18.549 -10.662 4.306 1.00 0.00 H new ATOM 0 HB2 GLU A 36 16.644 -8.803 5.773 1.00 0.00 H new ATOM 0 HB3 GLU A 36 16.994 -10.484 6.123 1.00 0.00 H new ATOM 0 HG2 GLU A 36 19.327 -9.805 6.775 1.00 0.00 H new ATOM 0 HG3 GLU A 36 18.864 -8.131 6.543 1.00 0.00 H new ATOM 565 N TYR A 37 16.950 -8.893 2.373 1.00 0.00 N ATOM 566 CA TYR A 37 15.875 -8.753 1.401 1.00 0.00 C ATOM 567 C TYR A 37 16.418 -8.745 -0.027 1.00 0.00 C ATOM 568 O TYR A 37 17.629 -8.732 -0.249 1.00 0.00 O ATOM 569 CB TYR A 37 15.067 -7.472 1.676 1.00 0.00 C ATOM 570 CG TYR A 37 14.062 -7.603 2.808 1.00 0.00 C ATOM 571 CD1 TYR A 37 14.471 -7.791 4.125 1.00 0.00 C ATOM 572 CD2 TYR A 37 12.698 -7.554 2.555 1.00 0.00 C ATOM 573 CE1 TYR A 37 13.555 -7.926 5.149 1.00 0.00 C ATOM 574 CE2 TYR A 37 11.777 -7.691 3.576 1.00 0.00 C ATOM 575 CZ TYR A 37 12.211 -7.875 4.869 1.00 0.00 C ATOM 576 OH TYR A 37 11.296 -8.018 5.887 1.00 0.00 O ATOM 0 H TYR A 37 17.753 -8.287 2.203 1.00 0.00 H new ATOM 0 HA TYR A 37 15.214 -9.614 1.504 1.00 0.00 H new ATOM 0 HB2 TYR A 37 15.758 -6.663 1.910 1.00 0.00 H new ATOM 0 HB3 TYR A 37 14.538 -7.187 0.767 1.00 0.00 H new ATOM 0 HD1 TYR A 37 15.526 -7.832 4.350 1.00 0.00 H new ATOM 0 HD2 TYR A 37 12.351 -7.406 1.543 1.00 0.00 H new ATOM 0 HE1 TYR A 37 13.893 -8.071 6.164 1.00 0.00 H new ATOM 0 HE2 TYR A 37 10.719 -7.654 3.360 1.00 0.00 H new ATOM 0 HH TYR A 37 10.389 -7.957 5.522 1.00 0.00 H new ATOM 586 N THR A 38 15.508 -8.769 -0.983 1.00 0.00 N ATOM 587 CA THR A 38 15.852 -8.792 -2.389 1.00 0.00 C ATOM 588 C THR A 38 14.834 -7.984 -3.175 1.00 0.00 C ATOM 589 O THR A 38 13.637 -8.123 -2.973 1.00 0.00 O ATOM 590 CB THR A 38 15.887 -10.237 -2.923 1.00 0.00 C ATOM 591 OG1 THR A 38 16.835 -11.000 -2.170 1.00 0.00 O ATOM 592 CG2 THR A 38 16.261 -10.273 -4.401 1.00 0.00 C ATOM 0 H THR A 38 14.504 -8.773 -0.803 1.00 0.00 H new ATOM 0 HA THR A 38 16.843 -8.355 -2.509 1.00 0.00 H new ATOM 0 HB THR A 38 14.891 -10.666 -2.814 1.00 0.00 H new ATOM 0 HG1 THR A 38 16.857 -11.920 -2.508 1.00 0.00 H new ATOM 0 HG21 THR A 38 16.277 -11.306 -4.747 1.00 0.00 H new ATOM 0 HG22 THR A 38 15.527 -9.709 -4.976 1.00 0.00 H new ATOM 0 HG23 THR A 38 17.247 -9.829 -4.538 1.00 0.00 H new ATOM 600 N LYS A 39 15.312 -7.148 -4.066 1.00 0.00 N ATOM 601 CA LYS A 39 14.442 -6.265 -4.817 1.00 0.00 C ATOM 602 C LYS A 39 13.912 -6.985 -6.044 1.00 0.00 C ATOM 603 O LYS A 39 14.681 -7.462 -6.876 1.00 0.00 O ATOM 604 CB LYS A 39 15.184 -4.987 -5.215 1.00 0.00 C ATOM 605 CG LYS A 39 14.316 -3.971 -5.941 1.00 0.00 C ATOM 606 CD LYS A 39 15.040 -2.648 -6.119 1.00 0.00 C ATOM 607 CE LYS A 39 16.310 -2.813 -6.936 1.00 0.00 C ATOM 608 NZ LYS A 39 17.108 -1.562 -6.983 1.00 0.00 N ATOM 0 H LYS A 39 16.303 -7.058 -4.291 1.00 0.00 H new ATOM 0 HA LYS A 39 13.599 -5.980 -4.187 1.00 0.00 H new ATOM 0 HB2 LYS A 39 15.596 -4.524 -4.319 1.00 0.00 H new ATOM 0 HB3 LYS A 39 16.027 -5.252 -5.853 1.00 0.00 H new ATOM 0 HG2 LYS A 39 14.031 -4.365 -6.916 1.00 0.00 H new ATOM 0 HG3 LYS A 39 13.395 -3.811 -5.380 1.00 0.00 H new ATOM 0 HD2 LYS A 39 14.380 -1.934 -6.612 1.00 0.00 H new ATOM 0 HD3 LYS A 39 15.286 -2.233 -5.142 1.00 0.00 H new ATOM 0 HE2 LYS A 39 16.915 -3.613 -6.508 1.00 0.00 H new ATOM 0 HE3 LYS A 39 16.052 -3.116 -7.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 17.966 -1.718 -7.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 16.541 -0.804 -7.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 17.377 -1.286 -6.017 1.00 0.00 H new ATOM 622 N ILE A 40 12.600 -7.077 -6.132 1.00 0.00 N ATOM 623 CA ILE A 40 11.956 -7.770 -7.235 1.00 0.00 C ATOM 624 C ILE A 40 11.659 -6.813 -8.383 1.00 0.00 C ATOM 625 O ILE A 40 11.247 -7.232 -9.466 1.00 0.00 O ATOM 626 CB ILE A 40 10.662 -8.472 -6.775 1.00 0.00 C ATOM 627 CG1 ILE A 40 9.803 -7.525 -5.926 1.00 0.00 C ATOM 628 CG2 ILE A 40 11.001 -9.741 -6.007 1.00 0.00 C ATOM 629 CD1 ILE A 40 8.544 -8.163 -5.383 1.00 0.00 C ATOM 0 H ILE A 40 11.954 -6.679 -5.450 1.00 0.00 H new ATOM 0 HA ILE A 40 12.649 -8.532 -7.591 1.00 0.00 H new ATOM 0 HB ILE A 40 10.081 -8.748 -7.655 1.00 0.00 H new ATOM 0 HG12 ILE A 40 10.401 -7.157 -5.092 1.00 0.00 H new ATOM 0 HG13 ILE A 40 9.529 -6.659 -6.529 1.00 0.00 H new ATOM 0 HG21 ILE A 40 10.081 -10.229 -5.687 1.00 0.00 H new ATOM 0 HG22 ILE A 40 11.565 -10.416 -6.651 1.00 0.00 H new ATOM 0 HG23 ILE A 40 11.601 -9.488 -5.133 1.00 0.00 H new ATOM 0 HD11 ILE A 40 7.990 -7.432 -4.794 1.00 0.00 H new ATOM 0 HD12 ILE A 40 7.924 -8.506 -6.211 1.00 0.00 H new ATOM 0 HD13 ILE A 40 8.809 -9.011 -4.752 1.00 0.00 H new ATOM 641 N GLY A 41 11.878 -5.527 -8.143 1.00 0.00 N ATOM 642 CA GLY A 41 11.712 -4.544 -9.189 1.00 0.00 C ATOM 643 C GLY A 41 11.121 -3.253 -8.679 1.00 0.00 C ATOM 644 O GLY A 41 10.750 -3.148 -7.508 1.00 0.00 O ATOM 0 H GLY A 41 12.168 -5.149 -7.241 1.00 0.00 H new ATOM 0 HA2 GLY A 41 12.679 -4.341 -9.649 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.068 -4.952 -9.968 1.00 0.00 H new ATOM 648 N THR A 42 11.047 -2.270 -9.555 1.00 0.00 N ATOM 649 CA THR A 42 10.437 -1.000 -9.223 1.00 0.00 C ATOM 650 C THR A 42 9.069 -0.908 -9.886 1.00 0.00 C ATOM 651 O THR A 42 8.865 -1.439 -10.982 1.00 0.00 O ATOM 652 CB THR A 42 11.309 0.172 -9.706 1.00 0.00 C ATOM 653 OG1 THR A 42 12.701 -0.142 -9.517 1.00 0.00 O ATOM 654 CG2 THR A 42 10.973 1.454 -8.956 1.00 0.00 C ATOM 0 H THR A 42 11.405 -2.329 -10.508 1.00 0.00 H new ATOM 0 HA THR A 42 10.337 -0.939 -8.139 1.00 0.00 H new ATOM 0 HB THR A 42 11.106 0.328 -10.766 1.00 0.00 H new ATOM 0 HG1 THR A 42 13.251 0.607 -9.828 1.00 0.00 H new ATOM 0 HG21 THR A 42 11.605 2.264 -9.319 1.00 0.00 H new ATOM 0 HG22 THR A 42 9.926 1.709 -9.121 1.00 0.00 H new ATOM 0 HG23 THR A 42 11.147 1.308 -7.890 1.00 0.00 H new ATOM 662 N ILE A 43 8.140 -0.248 -9.228 1.00 0.00 N ATOM 663 CA ILE A 43 6.804 -0.082 -9.777 1.00 0.00 C ATOM 664 C ILE A 43 6.528 1.388 -10.034 1.00 0.00 C ATOM 665 O ILE A 43 7.217 2.260 -9.500 1.00 0.00 O ATOM 666 CB ILE A 43 5.709 -0.660 -8.852 1.00 0.00 C ATOM 667 CG1 ILE A 43 5.752 0.020 -7.482 1.00 0.00 C ATOM 668 CG2 ILE A 43 5.871 -2.167 -8.711 1.00 0.00 C ATOM 669 CD1 ILE A 43 4.734 -0.515 -6.501 1.00 0.00 C ATOM 0 H ILE A 43 8.281 0.183 -8.314 1.00 0.00 H new ATOM 0 HA ILE A 43 6.771 -0.639 -10.713 1.00 0.00 H new ATOM 0 HB ILE A 43 4.736 -0.462 -9.302 1.00 0.00 H new ATOM 0 HG12 ILE A 43 6.749 -0.101 -7.058 1.00 0.00 H new ATOM 0 HG13 ILE A 43 5.589 1.090 -7.613 1.00 0.00 H new ATOM 0 HG21 ILE A 43 5.092 -2.557 -8.056 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.789 -2.635 -9.692 1.00 0.00 H new ATOM 0 HG23 ILE A 43 6.849 -2.389 -8.284 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.827 0.017 -5.554 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.731 -0.369 -6.902 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.909 -1.579 -6.339 1.00 0.00 H new ATOM 681 N SER A 44 5.513 1.656 -10.835 1.00 0.00 N ATOM 682 CA SER A 44 5.195 3.010 -11.241 1.00 0.00 C ATOM 683 C SER A 44 3.703 3.121 -11.545 1.00 0.00 C ATOM 684 O SER A 44 2.978 2.126 -11.495 1.00 0.00 O ATOM 685 CB SER A 44 6.036 3.381 -12.470 1.00 0.00 C ATOM 686 OG SER A 44 5.872 4.739 -12.838 1.00 0.00 O ATOM 0 H SER A 44 4.890 0.945 -11.220 1.00 0.00 H new ATOM 0 HA SER A 44 5.430 3.705 -10.435 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.088 3.187 -12.261 1.00 0.00 H new ATOM 0 HB3 SER A 44 5.755 2.742 -13.307 1.00 0.00 H new ATOM 0 HG SER A 44 6.425 4.934 -13.623 1.00 0.00 H new ATOM 692 N THR A 45 3.242 4.321 -11.842 1.00 0.00 N ATOM 693 CA THR A 45 1.850 4.535 -12.185 1.00 0.00 C ATOM 694 C THR A 45 1.704 5.794 -13.039 1.00 0.00 C ATOM 695 O THR A 45 2.691 6.468 -13.340 1.00 0.00 O ATOM 696 CB THR A 45 0.962 4.630 -10.920 1.00 0.00 C ATOM 697 OG1 THR A 45 -0.422 4.561 -11.280 1.00 0.00 O ATOM 698 CG2 THR A 45 1.229 5.915 -10.147 1.00 0.00 C ATOM 0 H THR A 45 3.814 5.165 -11.852 1.00 0.00 H new ATOM 0 HA THR A 45 1.510 3.675 -12.762 1.00 0.00 H new ATOM 0 HB THR A 45 1.212 3.787 -10.276 1.00 0.00 H new ATOM 0 HG1 THR A 45 -0.813 3.738 -10.919 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.589 5.949 -9.265 1.00 0.00 H new ATOM 0 HG22 THR A 45 2.274 5.943 -9.838 1.00 0.00 H new ATOM 0 HG23 THR A 45 1.016 6.774 -10.784 1.00 0.00 H new ATOM 706 N THR A 46 0.477 6.105 -13.419 1.00 0.00 N ATOM 707 CA THR A 46 0.217 7.206 -14.334 1.00 0.00 C ATOM 708 C THR A 46 -0.100 8.493 -13.569 1.00 0.00 C ATOM 709 O THR A 46 -0.794 8.469 -12.552 1.00 0.00 O ATOM 710 CB THR A 46 -0.941 6.854 -15.288 1.00 0.00 C ATOM 711 OG1 THR A 46 -0.729 5.542 -15.822 1.00 0.00 O ATOM 712 CG2 THR A 46 -1.024 7.848 -16.433 1.00 0.00 C ATOM 0 H THR A 46 -0.358 5.610 -13.108 1.00 0.00 H new ATOM 0 HA THR A 46 1.119 7.373 -14.923 1.00 0.00 H new ATOM 0 HB THR A 46 -1.875 6.891 -14.727 1.00 0.00 H new ATOM 0 HG1 THR A 46 -1.464 5.313 -16.428 1.00 0.00 H new ATOM 0 HG21 THR A 46 -1.849 7.577 -17.091 1.00 0.00 H new ATOM 0 HG22 THR A 46 -1.191 8.849 -16.035 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.091 7.833 -16.996 1.00 0.00 H new ATOM 720 N GLY A 47 0.413 9.616 -14.069 1.00 0.00 N ATOM 721 CA GLY A 47 0.309 10.880 -13.357 1.00 0.00 C ATOM 722 C GLY A 47 -1.077 11.496 -13.366 1.00 0.00 C ATOM 723 O GLY A 47 -1.311 12.505 -12.703 1.00 0.00 O ATOM 0 H GLY A 47 0.903 9.672 -14.962 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.618 10.726 -12.323 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.011 11.589 -13.797 1.00 0.00 H new ATOM 727 N GLU A 48 -1.995 10.896 -14.101 1.00 0.00 N ATOM 728 CA GLU A 48 -3.349 11.436 -14.226 1.00 0.00 C ATOM 729 C GLU A 48 -4.305 10.765 -13.240 1.00 0.00 C ATOM 730 O GLU A 48 -5.476 10.530 -13.546 1.00 0.00 O ATOM 731 CB GLU A 48 -3.861 11.273 -15.659 1.00 0.00 C ATOM 732 CG GLU A 48 -3.830 9.843 -16.160 1.00 0.00 C ATOM 733 CD GLU A 48 -4.518 9.684 -17.497 1.00 0.00 C ATOM 734 OE1 GLU A 48 -3.932 10.078 -18.526 1.00 0.00 O ATOM 735 OE2 GLU A 48 -5.657 9.170 -17.522 1.00 0.00 O ATOM 0 H GLU A 48 -1.834 10.034 -14.623 1.00 0.00 H new ATOM 0 HA GLU A 48 -3.309 12.499 -13.987 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.884 11.645 -15.714 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.259 11.894 -16.323 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.794 9.514 -16.246 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.311 9.194 -15.428 1.00 0.00 H new ATOM 742 N MET A 49 -3.806 10.488 -12.051 1.00 0.00 N ATOM 743 CA MET A 49 -4.606 9.840 -11.019 1.00 0.00 C ATOM 744 C MET A 49 -4.554 10.646 -9.727 1.00 0.00 C ATOM 745 O MET A 49 -3.695 11.516 -9.564 1.00 0.00 O ATOM 746 CB MET A 49 -4.113 8.410 -10.766 1.00 0.00 C ATOM 747 CG MET A 49 -4.154 7.518 -11.997 1.00 0.00 C ATOM 748 SD MET A 49 -3.599 5.836 -11.660 1.00 0.00 S ATOM 749 CE MET A 49 -3.739 5.107 -13.290 1.00 0.00 C ATOM 0 H MET A 49 -2.848 10.700 -11.771 1.00 0.00 H new ATOM 0 HA MET A 49 -5.638 9.793 -11.367 1.00 0.00 H new ATOM 0 HB2 MET A 49 -3.090 8.450 -10.392 1.00 0.00 H new ATOM 0 HB3 MET A 49 -4.722 7.959 -9.982 1.00 0.00 H new ATOM 0 HG2 MET A 49 -5.172 7.489 -12.385 1.00 0.00 H new ATOM 0 HG3 MET A 49 -3.528 7.953 -12.776 1.00 0.00 H new ATOM 0 HE1 MET A 49 -4.245 4.144 -13.216 1.00 0.00 H new ATOM 0 HE2 MET A 49 -4.313 5.770 -13.937 1.00 0.00 H new ATOM 0 HE3 MET A 49 -2.744 4.962 -13.711 1.00 0.00 H new ATOM 759 N SER A 50 -5.486 10.375 -8.829 1.00 0.00 N ATOM 760 CA SER A 50 -5.506 11.030 -7.529 1.00 0.00 C ATOM 761 C SER A 50 -4.365 10.508 -6.653 1.00 0.00 C ATOM 762 O SER A 50 -3.924 9.370 -6.823 1.00 0.00 O ATOM 763 CB SER A 50 -6.856 10.806 -6.846 1.00 0.00 C ATOM 764 OG SER A 50 -7.913 11.363 -7.611 1.00 0.00 O ATOM 0 H SER A 50 -6.241 9.705 -8.975 1.00 0.00 H new ATOM 0 HA SER A 50 -5.365 12.101 -7.673 1.00 0.00 H new ATOM 0 HB2 SER A 50 -7.025 9.738 -6.709 1.00 0.00 H new ATOM 0 HB3 SER A 50 -6.844 11.257 -5.854 1.00 0.00 H new ATOM 0 HG SER A 50 -8.766 11.205 -7.154 1.00 0.00 H new ATOM 770 N PRO A 51 -3.882 11.330 -5.700 1.00 0.00 N ATOM 771 CA PRO A 51 -2.721 10.992 -4.864 1.00 0.00 C ATOM 772 C PRO A 51 -2.888 9.676 -4.114 1.00 0.00 C ATOM 773 O PRO A 51 -2.072 8.768 -4.257 1.00 0.00 O ATOM 774 CB PRO A 51 -2.621 12.164 -3.872 1.00 0.00 C ATOM 775 CG PRO A 51 -3.935 12.865 -3.957 1.00 0.00 C ATOM 776 CD PRO A 51 -4.426 12.653 -5.359 1.00 0.00 C ATOM 0 HA PRO A 51 -1.827 10.855 -5.473 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -2.430 11.807 -2.860 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -1.801 12.832 -4.134 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -4.641 12.461 -3.231 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -3.826 13.927 -3.738 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -5.515 12.668 -5.413 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -4.062 13.426 -6.036 1.00 0.00 H new ATOM 784 N LEU A 52 -3.958 9.562 -3.343 1.00 0.00 N ATOM 785 CA LEU A 52 -4.188 8.365 -2.549 1.00 0.00 C ATOM 786 C LEU A 52 -4.515 7.196 -3.465 1.00 0.00 C ATOM 787 O LEU A 52 -4.100 6.068 -3.209 1.00 0.00 O ATOM 788 CB LEU A 52 -5.314 8.624 -1.539 1.00 0.00 C ATOM 789 CG LEU A 52 -5.601 7.498 -0.543 1.00 0.00 C ATOM 790 CD1 LEU A 52 -6.021 8.079 0.797 1.00 0.00 C ATOM 791 CD2 LEU A 52 -6.689 6.574 -1.068 1.00 0.00 C ATOM 0 H LEU A 52 -4.677 10.279 -3.250 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.287 8.111 -1.991 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -5.069 9.525 -0.976 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -6.229 8.833 -2.093 1.00 0.00 H new ATOM 0 HG LEU A 52 -4.687 6.918 -0.413 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -6.223 7.269 1.498 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.220 8.707 1.189 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.922 8.679 0.667 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.875 5.782 -0.343 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -7.605 7.143 -1.226 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -6.368 6.133 -2.012 1.00 0.00 H new ATOM 803 N ASP A 53 -5.222 7.481 -4.552 1.00 0.00 N ATOM 804 CA ASP A 53 -5.604 6.445 -5.510 1.00 0.00 C ATOM 805 C ASP A 53 -4.375 5.806 -6.139 1.00 0.00 C ATOM 806 O ASP A 53 -4.259 4.582 -6.184 1.00 0.00 O ATOM 807 CB ASP A 53 -6.510 7.015 -6.602 1.00 0.00 C ATOM 808 CG ASP A 53 -6.900 5.965 -7.628 1.00 0.00 C ATOM 809 OD1 ASP A 53 -7.598 4.995 -7.259 1.00 0.00 O ATOM 810 OD2 ASP A 53 -6.518 6.104 -8.807 1.00 0.00 O ATOM 0 H ASP A 53 -5.543 8.418 -4.794 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.155 5.680 -4.964 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.410 7.428 -6.146 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.000 7.838 -7.102 1.00 0.00 H new ATOM 815 N ALA A 54 -3.451 6.641 -6.600 1.00 0.00 N ATOM 816 CA ALA A 54 -2.228 6.156 -7.221 1.00 0.00 C ATOM 817 C ALA A 54 -1.354 5.428 -6.207 1.00 0.00 C ATOM 818 O ALA A 54 -0.637 4.492 -6.552 1.00 0.00 O ATOM 819 CB ALA A 54 -1.463 7.303 -7.863 1.00 0.00 C ATOM 0 H ALA A 54 -3.527 7.657 -6.555 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.503 5.446 -8.001 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.551 6.920 -8.322 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.084 7.773 -8.626 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.204 8.039 -7.102 1.00 0.00 H new ATOM 825 N ARG A 55 -1.430 5.850 -4.950 1.00 0.00 N ATOM 826 CA ARG A 55 -0.697 5.192 -3.888 1.00 0.00 C ATOM 827 C ARG A 55 -1.274 3.808 -3.637 1.00 0.00 C ATOM 828 O ARG A 55 -0.540 2.832 -3.591 1.00 0.00 O ATOM 829 CB ARG A 55 -0.724 6.029 -2.606 1.00 0.00 C ATOM 830 CG ARG A 55 0.092 7.310 -2.696 1.00 0.00 C ATOM 831 CD ARG A 55 0.401 7.883 -1.322 1.00 0.00 C ATOM 832 NE ARG A 55 -0.785 7.958 -0.471 1.00 0.00 N ATOM 833 CZ ARG A 55 -0.987 8.890 0.459 1.00 0.00 C ATOM 834 NH1 ARG A 55 -0.101 9.867 0.640 1.00 0.00 N ATOM 835 NH2 ARG A 55 -2.074 8.831 1.216 1.00 0.00 N ATOM 0 H ARG A 55 -1.993 6.645 -4.647 1.00 0.00 H new ATOM 0 HA ARG A 55 0.343 5.088 -4.198 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -1.757 6.283 -2.370 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -0.347 5.426 -1.780 1.00 0.00 H new ATOM 0 HG2 ARG A 55 1.024 7.110 -3.224 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -0.455 8.048 -3.283 1.00 0.00 H new ATOM 0 HD2 ARG A 55 1.156 7.266 -0.835 1.00 0.00 H new ATOM 0 HD3 ARG A 55 0.828 8.880 -1.434 1.00 0.00 H new ATOM 0 HE ARG A 55 -1.507 7.249 -0.598 1.00 0.00 H new ATOM 0 HH11 ARG A 55 0.740 9.906 0.064 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -0.263 10.577 1.354 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -2.747 8.076 1.084 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -2.237 9.540 1.931 1.00 0.00 H new ATOM 849 N GLU A 56 -2.596 3.723 -3.511 1.00 0.00 N ATOM 850 CA GLU A 56 -3.264 2.437 -3.314 1.00 0.00 C ATOM 851 C GLU A 56 -3.022 1.526 -4.513 1.00 0.00 C ATOM 852 O GLU A 56 -2.991 0.305 -4.378 1.00 0.00 O ATOM 853 CB GLU A 56 -4.769 2.622 -3.109 1.00 0.00 C ATOM 854 CG GLU A 56 -5.135 3.550 -1.962 1.00 0.00 C ATOM 855 CD GLU A 56 -4.573 3.103 -0.630 1.00 0.00 C ATOM 856 OE1 GLU A 56 -5.180 2.221 0.016 1.00 0.00 O ATOM 857 OE2 GLU A 56 -3.535 3.645 -0.208 1.00 0.00 O ATOM 0 H GLU A 56 -3.225 4.525 -3.541 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.845 1.978 -2.418 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.204 3.012 -4.029 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.222 1.647 -2.931 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.771 4.553 -2.184 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.221 3.614 -1.888 1.00 0.00 H new ATOM 864 N ASP A 57 -2.855 2.137 -5.683 1.00 0.00 N ATOM 865 CA ASP A 57 -2.541 1.401 -6.908 1.00 0.00 C ATOM 866 C ASP A 57 -1.170 0.760 -6.781 1.00 0.00 C ATOM 867 O ASP A 57 -0.980 -0.415 -7.092 1.00 0.00 O ATOM 868 CB ASP A 57 -2.567 2.342 -8.118 1.00 0.00 C ATOM 869 CG ASP A 57 -2.104 1.680 -9.405 1.00 0.00 C ATOM 870 OD1 ASP A 57 -2.954 1.121 -10.131 1.00 0.00 O ATOM 871 OD2 ASP A 57 -0.894 1.725 -9.710 1.00 0.00 O ATOM 0 H ASP A 57 -2.932 3.146 -5.810 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.291 0.624 -7.055 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.581 2.718 -8.255 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -1.933 3.204 -7.913 1.00 0.00 H new ATOM 876 N LEU A 58 -0.230 1.547 -6.292 1.00 0.00 N ATOM 877 CA LEU A 58 1.127 1.081 -6.045 1.00 0.00 C ATOM 878 C LEU A 58 1.143 0.023 -4.943 1.00 0.00 C ATOM 879 O LEU A 58 1.756 -1.035 -5.087 1.00 0.00 O ATOM 880 CB LEU A 58 2.007 2.268 -5.645 1.00 0.00 C ATOM 881 CG LEU A 58 2.278 3.285 -6.756 1.00 0.00 C ATOM 882 CD1 LEU A 58 3.127 4.433 -6.231 1.00 0.00 C ATOM 883 CD2 LEU A 58 2.956 2.618 -7.943 1.00 0.00 C ATOM 0 H LEU A 58 -0.383 2.527 -6.054 1.00 0.00 H new ATOM 0 HA LEU A 58 1.516 0.629 -6.957 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.534 2.784 -4.810 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.962 1.886 -5.284 1.00 0.00 H new ATOM 0 HG LEU A 58 1.322 3.688 -7.092 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.310 5.147 -7.034 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.602 4.931 -5.416 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.078 4.045 -5.866 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.139 3.359 -8.721 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.904 2.184 -7.624 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.311 1.832 -8.336 1.00 0.00 H new ATOM 895 N ILE A 59 0.442 0.316 -3.858 1.00 0.00 N ATOM 896 CA ILE A 59 0.408 -0.555 -2.689 1.00 0.00 C ATOM 897 C ILE A 59 -0.256 -1.898 -3.002 1.00 0.00 C ATOM 898 O ILE A 59 0.220 -2.947 -2.563 1.00 0.00 O ATOM 899 CB ILE A 59 -0.320 0.140 -1.513 1.00 0.00 C ATOM 900 CG1 ILE A 59 0.415 1.435 -1.143 1.00 0.00 C ATOM 901 CG2 ILE A 59 -0.403 -0.788 -0.308 1.00 0.00 C ATOM 902 CD1 ILE A 59 -0.441 2.445 -0.404 1.00 0.00 C ATOM 0 H ILE A 59 -0.119 1.162 -3.761 1.00 0.00 H new ATOM 0 HA ILE A 59 1.440 -0.753 -2.400 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.336 0.383 -1.823 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.278 1.186 -0.526 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.797 1.896 -2.054 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -0.918 -0.280 0.507 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.953 -1.689 -0.580 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.603 -1.060 0.012 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.153 3.331 -0.180 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -1.291 2.726 -1.026 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.802 2.005 0.526 1.00 0.00 H new ATOM 914 N LYS A 60 -1.342 -1.878 -3.772 1.00 0.00 N ATOM 915 CA LYS A 60 -2.021 -3.119 -4.130 1.00 0.00 C ATOM 916 C LYS A 60 -1.174 -3.920 -5.111 1.00 0.00 C ATOM 917 O LYS A 60 -1.182 -5.140 -5.091 1.00 0.00 O ATOM 918 CB LYS A 60 -3.403 -2.858 -4.736 1.00 0.00 C ATOM 919 CG LYS A 60 -3.356 -2.328 -6.153 1.00 0.00 C ATOM 920 CD LYS A 60 -4.744 -2.096 -6.723 1.00 0.00 C ATOM 921 CE LYS A 60 -4.671 -1.700 -8.188 1.00 0.00 C ATOM 922 NZ LYS A 60 -4.182 -2.813 -9.048 1.00 0.00 N ATOM 0 H LYS A 60 -1.764 -1.032 -4.154 1.00 0.00 H new ATOM 0 HA LYS A 60 -2.158 -3.691 -3.212 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -3.977 -3.785 -4.723 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -3.936 -2.144 -4.108 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -2.796 -1.393 -6.171 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -2.818 -3.034 -6.786 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -5.341 -3.002 -6.617 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -5.248 -1.314 -6.156 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -5.658 -1.388 -8.528 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -4.009 -0.841 -8.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -3.391 -2.477 -9.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -3.860 -3.599 -8.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -4.953 -3.141 -9.664 1.00 0.00 H new ATOM 936 N LYS A 61 -0.439 -3.214 -5.961 1.00 0.00 N ATOM 937 CA LYS A 61 0.402 -3.838 -6.971 1.00 0.00 C ATOM 938 C LYS A 61 1.597 -4.522 -6.329 1.00 0.00 C ATOM 939 O LYS A 61 1.978 -5.627 -6.709 1.00 0.00 O ATOM 940 CB LYS A 61 0.858 -2.774 -7.958 1.00 0.00 C ATOM 941 CG LYS A 61 0.572 -3.133 -9.394 1.00 0.00 C ATOM 942 CD LYS A 61 0.292 -1.894 -10.230 1.00 0.00 C ATOM 943 CE LYS A 61 1.401 -0.862 -10.106 1.00 0.00 C ATOM 944 NZ LYS A 61 1.083 0.378 -10.859 1.00 0.00 N ATOM 0 H LYS A 61 -0.410 -2.194 -5.969 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.170 -4.601 -7.498 1.00 0.00 H new ATOM 0 HB2 LYS A 61 0.364 -1.832 -7.721 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.929 -2.611 -7.838 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.422 -3.672 -9.812 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -0.285 -3.805 -9.439 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.178 -2.180 -11.276 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.653 -1.451 -9.916 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.557 -0.620 -9.055 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.335 -1.284 -10.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.966 0.830 -11.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.501 0.141 -11.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.559 1.033 -10.244 1.00 0.00 H new ATOM 958 N ALA A 62 2.189 -3.852 -5.354 1.00 0.00 N ATOM 959 CA ALA A 62 3.234 -4.453 -4.534 1.00 0.00 C ATOM 960 C ALA A 62 2.700 -5.701 -3.829 1.00 0.00 C ATOM 961 O ALA A 62 3.417 -6.685 -3.656 1.00 0.00 O ATOM 962 CB ALA A 62 3.758 -3.447 -3.522 1.00 0.00 C ATOM 0 H ALA A 62 1.964 -2.888 -5.109 1.00 0.00 H new ATOM 0 HA ALA A 62 4.060 -4.749 -5.180 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.537 -3.911 -2.918 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.170 -2.585 -4.046 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.942 -3.123 -2.876 1.00 0.00 H new ATOM 968 N ASP A 63 1.429 -5.650 -3.436 1.00 0.00 N ATOM 969 CA ASP A 63 0.746 -6.800 -2.835 1.00 0.00 C ATOM 970 C ASP A 63 0.491 -7.878 -3.889 1.00 0.00 C ATOM 971 O ASP A 63 0.616 -9.073 -3.619 1.00 0.00 O ATOM 972 CB ASP A 63 -0.578 -6.343 -2.201 1.00 0.00 C ATOM 973 CG ASP A 63 -1.426 -7.489 -1.681 1.00 0.00 C ATOM 974 OD1 ASP A 63 -1.273 -7.863 -0.496 1.00 0.00 O ATOM 975 OD2 ASP A 63 -2.273 -7.998 -2.443 1.00 0.00 O ATOM 0 H ASP A 63 0.845 -4.818 -3.523 1.00 0.00 H new ATOM 0 HA ASP A 63 1.382 -7.226 -2.058 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.362 -5.659 -1.380 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.151 -5.783 -2.940 1.00 0.00 H new ATOM 980 N GLU A 64 0.151 -7.431 -5.092 1.00 0.00 N ATOM 981 CA GLU A 64 -0.086 -8.314 -6.228 1.00 0.00 C ATOM 982 C GLU A 64 1.187 -9.060 -6.621 1.00 0.00 C ATOM 983 O GLU A 64 1.139 -10.224 -7.024 1.00 0.00 O ATOM 984 CB GLU A 64 -0.610 -7.503 -7.422 1.00 0.00 C ATOM 985 CG GLU A 64 -2.051 -7.059 -7.283 1.00 0.00 C ATOM 986 CD GLU A 64 -2.512 -6.203 -8.445 1.00 0.00 C ATOM 987 OE1 GLU A 64 -2.641 -6.738 -9.568 1.00 0.00 O ATOM 988 OE2 GLU A 64 -2.757 -4.991 -8.243 1.00 0.00 O ATOM 0 H GLU A 64 0.031 -6.441 -5.308 1.00 0.00 H new ATOM 0 HA GLU A 64 -0.834 -9.051 -5.936 1.00 0.00 H new ATOM 0 HB2 GLU A 64 0.019 -6.623 -7.554 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -0.512 -8.103 -8.326 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.692 -7.937 -7.207 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.167 -6.498 -6.355 1.00 0.00 H new ATOM 995 N LYS A 65 2.322 -8.383 -6.515 1.00 0.00 N ATOM 996 CA LYS A 65 3.603 -8.999 -6.826 1.00 0.00 C ATOM 997 C LYS A 65 4.121 -9.772 -5.615 1.00 0.00 C ATOM 998 O LYS A 65 4.830 -10.769 -5.759 1.00 0.00 O ATOM 999 CB LYS A 65 4.610 -7.937 -7.275 1.00 0.00 C ATOM 1000 CG LYS A 65 5.865 -8.516 -7.906 1.00 0.00 C ATOM 1001 CD LYS A 65 6.709 -7.435 -8.566 1.00 0.00 C ATOM 1002 CE LYS A 65 7.969 -8.007 -9.202 1.00 0.00 C ATOM 1003 NZ LYS A 65 7.663 -9.080 -10.189 1.00 0.00 N ATOM 0 H LYS A 65 2.381 -7.409 -6.217 1.00 0.00 H new ATOM 0 HA LYS A 65 3.469 -9.703 -7.648 1.00 0.00 H new ATOM 0 HB2 LYS A 65 4.128 -7.271 -7.991 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.893 -7.330 -6.415 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.455 -9.025 -7.144 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.588 -9.266 -8.647 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.117 -6.926 -9.327 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.985 -6.686 -7.824 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.520 -7.207 -9.697 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.618 -8.407 -8.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.508 -9.274 -10.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.380 -9.945 -9.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 6.887 -8.771 -10.808 1.00 0.00 H new ATOM 1017 N GLY A 66 3.749 -9.316 -4.425 1.00 0.00 N ATOM 1018 CA GLY A 66 4.095 -10.034 -3.212 1.00 0.00 C ATOM 1019 C GLY A 66 5.338 -9.499 -2.531 1.00 0.00 C ATOM 1020 O GLY A 66 6.180 -10.274 -2.078 1.00 0.00 O ATOM 0 H GLY A 66 3.213 -8.461 -4.278 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.258 -9.982 -2.516 1.00 0.00 H new ATOM 0 HA3 GLY A 66 4.245 -11.087 -3.452 1.00 0.00 H new ATOM 1024 N ALA A 67 5.452 -8.182 -2.453 1.00 0.00 N ATOM 1025 CA ALA A 67 6.601 -7.541 -1.820 1.00 0.00 C ATOM 1026 C ALA A 67 6.434 -7.477 -0.306 1.00 0.00 C ATOM 1027 O ALA A 67 5.323 -7.569 0.215 1.00 0.00 O ATOM 1028 CB ALA A 67 6.797 -6.143 -2.387 1.00 0.00 C ATOM 0 H ALA A 67 4.760 -7.530 -2.822 1.00 0.00 H new ATOM 0 HA ALA A 67 7.485 -8.142 -2.035 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.656 -5.673 -1.908 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.970 -6.207 -3.461 1.00 0.00 H new ATOM 0 HB3 ALA A 67 5.905 -5.545 -2.198 1.00 0.00 H new ATOM 1034 N ASP A 68 7.544 -7.309 0.394 1.00 0.00 N ATOM 1035 CA ASP A 68 7.536 -7.255 1.849 1.00 0.00 C ATOM 1036 C ASP A 68 7.876 -5.857 2.344 1.00 0.00 C ATOM 1037 O ASP A 68 7.449 -5.442 3.419 1.00 0.00 O ATOM 1038 CB ASP A 68 8.520 -8.272 2.425 1.00 0.00 C ATOM 1039 CG ASP A 68 7.995 -9.689 2.364 1.00 0.00 C ATOM 1040 OD1 ASP A 68 7.032 -9.999 3.086 1.00 0.00 O ATOM 1041 OD2 ASP A 68 8.547 -10.496 1.588 1.00 0.00 O ATOM 0 H ASP A 68 8.469 -7.207 -0.024 1.00 0.00 H new ATOM 0 HA ASP A 68 6.531 -7.504 2.191 1.00 0.00 H new ATOM 0 HB2 ASP A 68 9.460 -8.213 1.877 1.00 0.00 H new ATOM 0 HB3 ASP A 68 8.739 -8.014 3.461 1.00 0.00 H new ATOM 1046 N VAL A 69 8.655 -5.142 1.565 1.00 0.00 N ATOM 1047 CA VAL A 69 8.996 -3.763 1.878 1.00 0.00 C ATOM 1048 C VAL A 69 8.664 -2.883 0.686 1.00 0.00 C ATOM 1049 O VAL A 69 8.859 -3.294 -0.455 1.00 0.00 O ATOM 1050 CB VAL A 69 10.495 -3.607 2.227 1.00 0.00 C ATOM 1051 CG1 VAL A 69 10.842 -2.156 2.518 1.00 0.00 C ATOM 1052 CG2 VAL A 69 10.878 -4.491 3.407 1.00 0.00 C ATOM 0 H VAL A 69 9.070 -5.492 0.701 1.00 0.00 H new ATOM 0 HA VAL A 69 8.415 -3.462 2.750 1.00 0.00 H new ATOM 0 HB VAL A 69 11.069 -3.928 1.358 1.00 0.00 H new ATOM 0 HG11 VAL A 69 11.902 -2.077 2.760 1.00 0.00 H new ATOM 0 HG12 VAL A 69 10.624 -1.547 1.641 1.00 0.00 H new ATOM 0 HG13 VAL A 69 10.250 -1.802 3.362 1.00 0.00 H new ATOM 0 HG21 VAL A 69 11.937 -4.361 3.630 1.00 0.00 H new ATOM 0 HG22 VAL A 69 10.286 -4.211 4.279 1.00 0.00 H new ATOM 0 HG23 VAL A 69 10.685 -5.534 3.158 1.00 0.00 H new ATOM 1062 N VAL A 70 8.150 -1.693 0.935 1.00 0.00 N ATOM 1063 CA VAL A 70 7.892 -0.756 -0.143 1.00 0.00 C ATOM 1064 C VAL A 70 8.602 0.560 0.139 1.00 0.00 C ATOM 1065 O VAL A 70 8.680 0.993 1.289 1.00 0.00 O ATOM 1066 CB VAL A 70 6.377 -0.516 -0.344 1.00 0.00 C ATOM 1067 CG1 VAL A 70 5.706 -1.754 -0.910 1.00 0.00 C ATOM 1068 CG2 VAL A 70 5.707 -0.111 0.959 1.00 0.00 C ATOM 0 H VAL A 70 7.905 -1.354 1.865 1.00 0.00 H new ATOM 0 HA VAL A 70 8.279 -1.189 -1.065 1.00 0.00 H new ATOM 0 HB VAL A 70 6.265 0.301 -1.057 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.641 -1.562 -1.043 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.153 -2.002 -1.873 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.841 -2.588 -0.221 1.00 0.00 H new ATOM 0 HG21 VAL A 70 4.643 0.051 0.786 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.839 -0.902 1.697 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.158 0.809 1.330 1.00 0.00 H new ATOM 1078 N VAL A 71 9.131 1.187 -0.901 1.00 0.00 N ATOM 1079 CA VAL A 71 9.841 2.444 -0.736 1.00 0.00 C ATOM 1080 C VAL A 71 9.292 3.475 -1.708 1.00 0.00 C ATOM 1081 O VAL A 71 9.583 3.433 -2.903 1.00 0.00 O ATOM 1082 CB VAL A 71 11.369 2.285 -0.957 1.00 0.00 C ATOM 1083 CG1 VAL A 71 12.105 3.568 -0.607 1.00 0.00 C ATOM 1084 CG2 VAL A 71 11.918 1.127 -0.141 1.00 0.00 C ATOM 0 H VAL A 71 9.082 0.848 -1.862 1.00 0.00 H new ATOM 0 HA VAL A 71 9.687 2.775 0.291 1.00 0.00 H new ATOM 0 HB VAL A 71 11.530 2.071 -2.014 1.00 0.00 H new ATOM 0 HG11 VAL A 71 13.174 3.430 -0.770 1.00 0.00 H new ATOM 0 HG12 VAL A 71 11.743 4.379 -1.239 1.00 0.00 H new ATOM 0 HG13 VAL A 71 11.927 3.816 0.439 1.00 0.00 H new ATOM 0 HG21 VAL A 71 12.990 1.037 -0.313 1.00 0.00 H new ATOM 0 HG22 VAL A 71 11.735 1.309 0.918 1.00 0.00 H new ATOM 0 HG23 VAL A 71 11.423 0.203 -0.441 1.00 0.00 H new ATOM 1094 N LEU A 72 8.464 4.375 -1.200 1.00 0.00 N ATOM 1095 CA LEU A 72 7.869 5.410 -2.028 1.00 0.00 C ATOM 1096 C LEU A 72 8.879 6.515 -2.294 1.00 0.00 C ATOM 1097 O LEU A 72 9.005 7.460 -1.516 1.00 0.00 O ATOM 1098 CB LEU A 72 6.623 5.997 -1.354 1.00 0.00 C ATOM 1099 CG LEU A 72 5.476 5.016 -1.117 1.00 0.00 C ATOM 1100 CD1 LEU A 72 4.348 5.698 -0.358 1.00 0.00 C ATOM 1101 CD2 LEU A 72 4.966 4.457 -2.435 1.00 0.00 C ATOM 0 H LEU A 72 8.189 4.409 -0.218 1.00 0.00 H new ATOM 0 HA LEU A 72 7.573 4.959 -2.975 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.917 6.422 -0.395 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.253 6.819 -1.967 1.00 0.00 H new ATOM 0 HG LEU A 72 5.850 4.187 -0.517 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.537 4.988 -0.196 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.719 6.052 0.604 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.979 6.544 -0.938 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.150 3.761 -2.243 1.00 0.00 H new ATOM 0 HD22 LEU A 72 4.607 5.273 -3.062 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.775 3.936 -2.946 1.00 0.00 H new ATOM 1113 N THR A 73 9.628 6.372 -3.374 1.00 0.00 N ATOM 1114 CA THR A 73 10.579 7.392 -3.772 1.00 0.00 C ATOM 1115 C THR A 73 9.880 8.540 -4.507 1.00 0.00 C ATOM 1116 O THR A 73 10.449 9.617 -4.698 1.00 0.00 O ATOM 1117 CB THR A 73 11.686 6.794 -4.653 1.00 0.00 C ATOM 1118 OG1 THR A 73 11.182 5.661 -5.380 1.00 0.00 O ATOM 1119 CG2 THR A 73 12.881 6.379 -3.808 1.00 0.00 C ATOM 0 H THR A 73 9.595 5.559 -3.990 1.00 0.00 H new ATOM 0 HA THR A 73 11.034 7.791 -2.866 1.00 0.00 H new ATOM 0 HB THR A 73 12.011 7.557 -5.361 1.00 0.00 H new ATOM 0 HG1 THR A 73 11.680 4.858 -5.120 1.00 0.00 H new ATOM 0 HG21 THR A 73 13.653 5.958 -4.452 1.00 0.00 H new ATOM 0 HG22 THR A 73 13.278 7.250 -3.287 1.00 0.00 H new ATOM 0 HG23 THR A 73 12.569 5.631 -3.079 1.00 0.00 H new ATOM 1127 N SER A 74 8.650 8.286 -4.931 1.00 0.00 N ATOM 1128 CA SER A 74 7.791 9.309 -5.514 1.00 0.00 C ATOM 1129 C SER A 74 6.340 9.058 -5.107 1.00 0.00 C ATOM 1130 O SER A 74 6.050 8.086 -4.412 1.00 0.00 O ATOM 1131 CB SER A 74 7.921 9.317 -7.040 1.00 0.00 C ATOM 1132 OG SER A 74 9.234 9.672 -7.441 1.00 0.00 O ATOM 0 H SER A 74 8.218 7.363 -4.881 1.00 0.00 H new ATOM 0 HA SER A 74 8.103 10.284 -5.140 1.00 0.00 H new ATOM 0 HB2 SER A 74 7.671 8.332 -7.434 1.00 0.00 H new ATOM 0 HB3 SER A 74 7.205 10.021 -7.465 1.00 0.00 H new ATOM 0 HG SER A 74 9.290 9.668 -8.419 1.00 0.00 H new ATOM 1138 N GLY A 75 5.435 9.927 -5.539 1.00 0.00 N ATOM 1139 CA GLY A 75 4.032 9.758 -5.207 1.00 0.00 C ATOM 1140 C GLY A 75 3.513 10.790 -4.218 1.00 0.00 C ATOM 1141 O GLY A 75 2.306 10.998 -4.114 1.00 0.00 O ATOM 0 H GLY A 75 5.646 10.744 -6.112 1.00 0.00 H new ATOM 0 HA2 GLY A 75 3.441 9.814 -6.121 1.00 0.00 H new ATOM 0 HA3 GLY A 75 3.883 8.761 -4.792 1.00 0.00 H new ATOM 1145 N GLN A 76 4.412 11.456 -3.507 1.00 0.00 N ATOM 1146 CA GLN A 76 4.006 12.405 -2.466 1.00 0.00 C ATOM 1147 C GLN A 76 3.942 13.841 -2.992 1.00 0.00 C ATOM 1148 O GLN A 76 4.204 14.795 -2.259 1.00 0.00 O ATOM 1149 CB GLN A 76 4.953 12.320 -1.268 1.00 0.00 C ATOM 1150 CG GLN A 76 4.766 11.064 -0.429 1.00 0.00 C ATOM 1151 CD GLN A 76 3.371 10.962 0.167 1.00 0.00 C ATOM 1152 OE1 GLN A 76 2.466 10.374 -0.425 1.00 0.00 O ATOM 1153 NE2 GLN A 76 3.187 11.552 1.336 1.00 0.00 N ATOM 0 H GLN A 76 5.421 11.362 -3.626 1.00 0.00 H new ATOM 0 HA GLN A 76 3.001 12.128 -2.148 1.00 0.00 H new ATOM 0 HB2 GLN A 76 5.982 12.357 -1.626 1.00 0.00 H new ATOM 0 HB3 GLN A 76 4.804 13.195 -0.635 1.00 0.00 H new ATOM 0 HG2 GLN A 76 4.958 10.187 -1.047 1.00 0.00 H new ATOM 0 HG3 GLN A 76 5.502 11.055 0.375 1.00 0.00 H new ATOM 0 HE21 GLN A 76 3.963 12.029 1.794 1.00 0.00 H new ATOM 0 HE22 GLN A 76 2.269 11.530 1.779 1.00 0.00 H new ATOM 1162 N THR A 77 3.582 13.992 -4.256 1.00 0.00 N ATOM 1163 CA THR A 77 3.388 15.314 -4.840 1.00 0.00 C ATOM 1164 C THR A 77 1.925 15.744 -4.691 1.00 0.00 C ATOM 1165 O THR A 77 1.597 16.932 -4.762 1.00 0.00 O ATOM 1166 CB THR A 77 3.800 15.323 -6.323 1.00 0.00 C ATOM 1167 OG1 THR A 77 5.052 14.642 -6.468 1.00 0.00 O ATOM 1168 CG2 THR A 77 3.932 16.744 -6.850 1.00 0.00 C ATOM 0 H THR A 77 3.418 13.218 -4.899 1.00 0.00 H new ATOM 0 HA THR A 77 4.022 16.023 -4.307 1.00 0.00 H new ATOM 0 HB THR A 77 3.026 14.817 -6.899 1.00 0.00 H new ATOM 0 HG1 THR A 77 5.318 14.644 -7.411 1.00 0.00 H new ATOM 0 HG21 THR A 77 4.224 16.717 -7.900 1.00 0.00 H new ATOM 0 HG22 THR A 77 2.976 17.259 -6.752 1.00 0.00 H new ATOM 0 HG23 THR A 77 4.691 17.276 -6.276 1.00 0.00 H new ATOM 1176 N GLU A 78 1.063 14.747 -4.485 1.00 0.00 N ATOM 1177 CA GLU A 78 -0.357 14.947 -4.180 1.00 0.00 C ATOM 1178 C GLU A 78 -1.172 15.399 -5.395 1.00 0.00 C ATOM 1179 O GLU A 78 -2.022 14.652 -5.870 1.00 0.00 O ATOM 1180 CB GLU A 78 -0.534 15.934 -3.029 1.00 0.00 C ATOM 1181 CG GLU A 78 -1.985 16.243 -2.717 1.00 0.00 C ATOM 1182 CD GLU A 78 -2.131 17.300 -1.655 1.00 0.00 C ATOM 1183 OE1 GLU A 78 -1.520 18.377 -1.804 1.00 0.00 O ATOM 1184 OE2 GLU A 78 -2.860 17.057 -0.675 1.00 0.00 O ATOM 0 H GLU A 78 1.334 13.764 -4.526 1.00 0.00 H new ATOM 0 HA GLU A 78 -0.744 13.973 -3.881 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -0.057 15.529 -2.137 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -0.017 16.862 -3.274 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -2.487 16.574 -3.626 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -2.486 15.332 -2.390 1.00 0.00 H new ATOM 1191 N ASN A 79 -0.909 16.608 -5.890 1.00 0.00 N ATOM 1192 CA ASN A 79 -1.726 17.215 -6.939 1.00 0.00 C ATOM 1193 C ASN A 79 -1.823 16.287 -8.147 1.00 0.00 C ATOM 1194 O ASN A 79 -2.902 15.802 -8.490 1.00 0.00 O ATOM 1195 CB ASN A 79 -1.137 18.569 -7.332 1.00 0.00 C ATOM 1196 CG ASN A 79 -1.983 19.284 -8.357 1.00 0.00 C ATOM 1197 OD1 ASN A 79 -2.922 20.000 -8.013 1.00 0.00 O ATOM 1198 ND2 ASN A 79 -1.642 19.117 -9.617 1.00 0.00 N ATOM 0 H ASN A 79 -0.131 17.189 -5.578 1.00 0.00 H new ATOM 0 HA ASN A 79 -2.736 17.372 -6.560 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -1.041 19.193 -6.444 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -0.132 18.424 -7.730 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -2.164 19.591 -10.354 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -0.856 18.513 -9.857 1.00 0.00 H new ATOM 1205 N LYS A 80 -0.693 16.042 -8.782 1.00 0.00 N ATOM 1206 CA LYS A 80 -0.578 14.972 -9.747 1.00 0.00 C ATOM 1207 C LYS A 80 0.760 14.305 -9.519 1.00 0.00 C ATOM 1208 O LYS A 80 1.728 14.963 -9.128 1.00 0.00 O ATOM 1209 CB LYS A 80 -0.697 15.479 -11.186 1.00 0.00 C ATOM 1210 CG LYS A 80 0.522 16.235 -11.664 1.00 0.00 C ATOM 1211 CD LYS A 80 0.365 16.701 -13.100 1.00 0.00 C ATOM 1212 CE LYS A 80 1.603 17.439 -13.583 1.00 0.00 C ATOM 1213 NZ LYS A 80 1.823 18.708 -12.838 1.00 0.00 N ATOM 0 H LYS A 80 0.164 16.577 -8.643 1.00 0.00 H new ATOM 0 HA LYS A 80 -1.395 14.264 -9.610 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -0.871 14.631 -11.848 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -1.570 16.127 -11.263 1.00 0.00 H new ATOM 0 HG2 LYS A 80 0.693 17.096 -11.018 1.00 0.00 H new ATOM 0 HG3 LYS A 80 1.402 15.596 -11.583 1.00 0.00 H new ATOM 0 HD2 LYS A 80 0.177 15.842 -13.744 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -0.504 17.355 -13.179 1.00 0.00 H new ATOM 0 HE2 LYS A 80 2.476 16.796 -13.469 1.00 0.00 H new ATOM 0 HE3 LYS A 80 1.504 17.656 -14.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 2.558 19.268 -13.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 0.937 19.252 -12.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 2.127 18.492 -11.867 1.00 0.00 H new ATOM 1227 N ILE A 81 0.818 13.015 -9.741 1.00 0.00 N ATOM 1228 CA ILE A 81 1.992 12.247 -9.372 1.00 0.00 C ATOM 1229 C ILE A 81 2.301 11.156 -10.378 1.00 0.00 C ATOM 1230 O ILE A 81 1.459 10.315 -10.683 1.00 0.00 O ATOM 1231 CB ILE A 81 1.830 11.593 -7.979 1.00 0.00 C ATOM 1232 CG1 ILE A 81 0.524 10.799 -7.905 1.00 0.00 C ATOM 1233 CG2 ILE A 81 1.878 12.640 -6.882 1.00 0.00 C ATOM 1234 CD1 ILE A 81 0.334 10.055 -6.602 1.00 0.00 C ATOM 0 H ILE A 81 0.071 12.472 -10.174 1.00 0.00 H new ATOM 0 HA ILE A 81 2.817 12.959 -9.351 1.00 0.00 H new ATOM 0 HB ILE A 81 2.662 10.904 -7.830 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.314 11.482 -8.048 1.00 0.00 H new ATOM 0 HG13 ILE A 81 0.497 10.084 -8.728 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.762 12.156 -5.912 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.836 13.159 -6.916 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.071 13.358 -7.028 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -0.613 9.516 -6.625 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.151 9.346 -6.465 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.327 10.765 -5.775 1.00 0.00 H new ATOM 1246 N HIS A 82 3.511 11.171 -10.898 1.00 0.00 N ATOM 1247 CA HIS A 82 4.012 10.032 -11.637 1.00 0.00 C ATOM 1248 C HIS A 82 4.606 9.070 -10.623 1.00 0.00 C ATOM 1249 O HIS A 82 5.824 8.957 -10.487 1.00 0.00 O ATOM 1250 CB HIS A 82 5.049 10.452 -12.683 1.00 0.00 C ATOM 1251 CG HIS A 82 5.548 9.312 -13.521 1.00 0.00 C ATOM 1252 ND1 HIS A 82 6.870 8.927 -13.559 1.00 0.00 N ATOM 1253 CD2 HIS A 82 4.891 8.476 -14.354 1.00 0.00 C ATOM 1254 CE1 HIS A 82 7.003 7.902 -14.376 1.00 0.00 C ATOM 1255 NE2 HIS A 82 5.817 7.607 -14.873 1.00 0.00 N ATOM 0 H HIS A 82 4.161 11.953 -10.823 1.00 0.00 H new ATOM 0 HA HIS A 82 3.204 9.553 -12.191 1.00 0.00 H new ATOM 0 HB2 HIS A 82 4.611 11.207 -13.335 1.00 0.00 H new ATOM 0 HB3 HIS A 82 5.895 10.919 -12.178 1.00 0.00 H new ATOM 0 HD2 HIS A 82 3.833 8.489 -14.571 1.00 0.00 H new ATOM 0 HE1 HIS A 82 7.927 7.390 -14.601 1.00 0.00 H new ATOM 0 HE2 HIS A 82 5.621 6.856 -15.535 1.00 0.00 H new ATOM 1264 N GLY A 83 3.716 8.431 -9.873 1.00 0.00 N ATOM 1265 CA GLY A 83 4.121 7.636 -8.739 1.00 0.00 C ATOM 1266 C GLY A 83 5.110 6.561 -9.096 1.00 0.00 C ATOM 1267 O GLY A 83 4.952 5.858 -10.089 1.00 0.00 O ATOM 0 H GLY A 83 2.709 8.453 -10.037 1.00 0.00 H new ATOM 0 HA2 GLY A 83 4.559 8.288 -7.983 1.00 0.00 H new ATOM 0 HA3 GLY A 83 3.240 7.177 -8.291 1.00 0.00 H new ATOM 1271 N THR A 84 6.136 6.457 -8.284 1.00 0.00 N ATOM 1272 CA THR A 84 7.151 5.436 -8.454 1.00 0.00 C ATOM 1273 C THR A 84 7.575 4.921 -7.090 1.00 0.00 C ATOM 1274 O THR A 84 7.714 5.701 -6.145 1.00 0.00 O ATOM 1275 CB THR A 84 8.386 5.980 -9.191 1.00 0.00 C ATOM 1276 OG1 THR A 84 8.106 7.278 -9.738 1.00 0.00 O ATOM 1277 CG2 THR A 84 8.801 5.039 -10.310 1.00 0.00 C ATOM 0 H THR A 84 6.293 7.075 -7.488 1.00 0.00 H new ATOM 0 HA THR A 84 6.724 4.632 -9.054 1.00 0.00 H new ATOM 0 HB THR A 84 9.202 6.058 -8.473 1.00 0.00 H new ATOM 0 HG1 THR A 84 8.900 7.615 -10.204 1.00 0.00 H new ATOM 0 HG21 THR A 84 9.677 5.442 -10.819 1.00 0.00 H new ATOM 0 HG22 THR A 84 9.042 4.061 -9.893 1.00 0.00 H new ATOM 0 HG23 THR A 84 7.982 4.937 -11.022 1.00 0.00 H new ATOM 1285 N ALA A 85 7.767 3.621 -6.983 1.00 0.00 N ATOM 1286 CA ALA A 85 8.130 3.016 -5.716 1.00 0.00 C ATOM 1287 C ALA A 85 8.992 1.791 -5.944 1.00 0.00 C ATOM 1288 O ALA A 85 8.689 0.962 -6.802 1.00 0.00 O ATOM 1289 CB ALA A 85 6.883 2.641 -4.930 1.00 0.00 C ATOM 0 H ALA A 85 7.678 2.963 -7.758 1.00 0.00 H new ATOM 0 HA ALA A 85 8.701 3.743 -5.138 1.00 0.00 H new ATOM 0 HB1 ALA A 85 7.173 2.188 -3.982 1.00 0.00 H new ATOM 0 HB2 ALA A 85 6.291 3.536 -4.739 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.290 1.930 -5.505 1.00 0.00 H new ATOM 1295 N ASP A 86 10.060 1.678 -5.177 1.00 0.00 N ATOM 1296 CA ASP A 86 10.947 0.535 -5.276 1.00 0.00 C ATOM 1297 C ASP A 86 10.658 -0.439 -4.150 1.00 0.00 C ATOM 1298 O ASP A 86 10.772 -0.101 -2.977 1.00 0.00 O ATOM 1299 CB ASP A 86 12.425 0.966 -5.291 1.00 0.00 C ATOM 1300 CG ASP A 86 12.754 2.139 -4.382 1.00 0.00 C ATOM 1301 OD1 ASP A 86 12.241 3.256 -4.634 1.00 0.00 O ATOM 1302 OD2 ASP A 86 13.586 1.973 -3.465 1.00 0.00 O ATOM 0 H ASP A 86 10.335 2.366 -4.476 1.00 0.00 H new ATOM 0 HA ASP A 86 10.760 0.031 -6.224 1.00 0.00 H new ATOM 0 HB2 ASP A 86 13.040 0.115 -5.000 1.00 0.00 H new ATOM 0 HB3 ASP A 86 12.703 1.226 -6.312 1.00 0.00 H new ATOM 1307 N ILE A 87 10.248 -1.644 -4.513 1.00 0.00 N ATOM 1308 CA ILE A 87 9.802 -2.609 -3.526 1.00 0.00 C ATOM 1309 C ILE A 87 10.835 -3.704 -3.308 1.00 0.00 C ATOM 1310 O ILE A 87 11.625 -4.031 -4.199 1.00 0.00 O ATOM 1311 CB ILE A 87 8.451 -3.236 -3.932 1.00 0.00 C ATOM 1312 CG1 ILE A 87 8.560 -3.943 -5.285 1.00 0.00 C ATOM 1313 CG2 ILE A 87 7.375 -2.161 -3.977 1.00 0.00 C ATOM 1314 CD1 ILE A 87 7.268 -4.592 -5.734 1.00 0.00 C ATOM 0 H ILE A 87 10.215 -1.974 -5.478 1.00 0.00 H new ATOM 0 HA ILE A 87 9.671 -2.069 -2.588 1.00 0.00 H new ATOM 0 HB ILE A 87 8.177 -3.982 -3.186 1.00 0.00 H new ATOM 0 HG12 ILE A 87 8.876 -3.221 -6.038 1.00 0.00 H new ATOM 0 HG13 ILE A 87 9.338 -4.704 -5.227 1.00 0.00 H new ATOM 0 HG21 ILE A 87 6.424 -2.610 -4.264 1.00 0.00 H new ATOM 0 HG22 ILE A 87 7.277 -1.702 -2.993 1.00 0.00 H new ATOM 0 HG23 ILE A 87 7.652 -1.400 -4.706 1.00 0.00 H new ATOM 0 HD11 ILE A 87 7.419 -5.074 -6.700 1.00 0.00 H new ATOM 0 HD12 ILE A 87 6.961 -5.338 -5.001 1.00 0.00 H new ATOM 0 HD13 ILE A 87 6.492 -3.832 -5.825 1.00 0.00 H new ATOM 1326 N TYR A 88 10.812 -4.270 -2.114 1.00 0.00 N ATOM 1327 CA TYR A 88 11.772 -5.279 -1.714 1.00 0.00 C ATOM 1328 C TYR A 88 11.055 -6.476 -1.112 1.00 0.00 C ATOM 1329 O TYR A 88 9.991 -6.349 -0.511 1.00 0.00 O ATOM 1330 CB TYR A 88 12.785 -4.690 -0.726 1.00 0.00 C ATOM 1331 CG TYR A 88 13.656 -3.611 -1.336 1.00 0.00 C ATOM 1332 CD1 TYR A 88 13.166 -2.324 -1.540 1.00 0.00 C ATOM 1333 CD2 TYR A 88 14.962 -3.881 -1.729 1.00 0.00 C ATOM 1334 CE1 TYR A 88 13.948 -1.343 -2.114 1.00 0.00 C ATOM 1335 CE2 TYR A 88 15.753 -2.901 -2.301 1.00 0.00 C ATOM 1336 CZ TYR A 88 15.239 -1.635 -2.494 1.00 0.00 C ATOM 1337 OH TYR A 88 16.022 -0.658 -3.067 1.00 0.00 O ATOM 0 H TYR A 88 10.126 -4.041 -1.395 1.00 0.00 H new ATOM 0 HA TYR A 88 12.318 -5.617 -2.595 1.00 0.00 H new ATOM 0 HB2 TYR A 88 12.250 -4.276 0.129 1.00 0.00 H new ATOM 0 HB3 TYR A 88 13.421 -5.490 -0.347 1.00 0.00 H new ATOM 0 HD1 TYR A 88 12.154 -2.089 -1.243 1.00 0.00 H new ATOM 0 HD2 TYR A 88 15.366 -4.872 -1.585 1.00 0.00 H new ATOM 0 HE1 TYR A 88 13.549 -0.351 -2.265 1.00 0.00 H new ATOM 0 HE2 TYR A 88 16.768 -3.125 -2.595 1.00 0.00 H new ATOM 0 HH TYR A 88 16.906 -1.027 -3.275 1.00 0.00 H new ATOM 1347 N LYS A 89 11.643 -7.632 -1.297 1.00 0.00 N ATOM 1348 CA LYS A 89 11.039 -8.889 -0.910 1.00 0.00 C ATOM 1349 C LYS A 89 11.925 -9.602 0.102 1.00 0.00 C ATOM 1350 O LYS A 89 13.144 -9.560 -0.008 1.00 0.00 O ATOM 1351 CB LYS A 89 10.864 -9.738 -2.171 1.00 0.00 C ATOM 1352 CG LYS A 89 10.370 -11.138 -1.913 1.00 0.00 C ATOM 1353 CD LYS A 89 8.994 -11.098 -1.280 1.00 0.00 C ATOM 1354 CE LYS A 89 8.516 -12.462 -0.824 1.00 0.00 C ATOM 1355 NZ LYS A 89 7.258 -12.349 -0.036 1.00 0.00 N ATOM 0 H LYS A 89 12.564 -7.731 -1.725 1.00 0.00 H new ATOM 0 HA LYS A 89 10.069 -8.719 -0.442 1.00 0.00 H new ATOM 0 HB2 LYS A 89 10.164 -9.236 -2.839 1.00 0.00 H new ATOM 0 HB3 LYS A 89 11.819 -9.793 -2.693 1.00 0.00 H new ATOM 0 HG2 LYS A 89 10.332 -11.696 -2.848 1.00 0.00 H new ATOM 0 HG3 LYS A 89 11.065 -11.662 -1.257 1.00 0.00 H new ATOM 0 HD2 LYS A 89 9.012 -10.420 -0.426 1.00 0.00 H new ATOM 0 HD3 LYS A 89 8.281 -10.689 -1.997 1.00 0.00 H new ATOM 0 HE2 LYS A 89 8.351 -13.102 -1.691 1.00 0.00 H new ATOM 0 HE3 LYS A 89 9.287 -12.938 -0.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 6.960 -13.294 0.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 7.421 -11.743 0.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 6.513 -11.931 -0.629 1.00 0.00 H new ATOM 1369 N LYS A 90 11.317 -10.246 1.089 1.00 0.00 N ATOM 1370 CA LYS A 90 12.071 -10.900 2.151 1.00 0.00 C ATOM 1371 C LYS A 90 12.819 -12.120 1.629 1.00 0.00 C ATOM 1372 O LYS A 90 12.283 -12.903 0.841 1.00 0.00 O ATOM 1373 CB LYS A 90 11.135 -11.315 3.287 1.00 0.00 C ATOM 1374 CG LYS A 90 11.857 -11.854 4.509 1.00 0.00 C ATOM 1375 CD LYS A 90 10.880 -12.308 5.583 1.00 0.00 C ATOM 1376 CE LYS A 90 10.118 -13.555 5.161 1.00 0.00 C ATOM 1377 NZ LYS A 90 11.024 -14.720 4.967 1.00 0.00 N ATOM 0 H LYS A 90 10.304 -10.330 1.177 1.00 0.00 H new ATOM 0 HA LYS A 90 12.803 -10.185 2.528 1.00 0.00 H new ATOM 0 HB2 LYS A 90 10.533 -10.455 3.582 1.00 0.00 H new ATOM 0 HB3 LYS A 90 10.446 -12.075 2.919 1.00 0.00 H new ATOM 0 HG2 LYS A 90 12.492 -12.690 4.217 1.00 0.00 H new ATOM 0 HG3 LYS A 90 12.512 -11.083 4.915 1.00 0.00 H new ATOM 0 HD2 LYS A 90 11.423 -12.509 6.507 1.00 0.00 H new ATOM 0 HD3 LYS A 90 10.174 -11.505 5.796 1.00 0.00 H new ATOM 0 HE2 LYS A 90 9.372 -13.798 5.917 1.00 0.00 H new ATOM 0 HE3 LYS A 90 9.580 -13.355 4.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 10.458 -15.584 4.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 11.608 -14.568 4.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 11.640 -14.823 5.798 1.00 0.00 H new ATOM 1391 N LYS A 91 14.061 -12.267 2.066 1.00 0.00 N ATOM 1392 CA LYS A 91 14.849 -13.451 1.758 1.00 0.00 C ATOM 1393 C LYS A 91 14.453 -14.601 2.672 1.00 0.00 C ATOM 1394 O LYS A 91 13.518 -14.487 3.470 1.00 0.00 O ATOM 1395 CB LYS A 91 16.344 -13.172 1.941 1.00 0.00 C ATOM 1396 CG LYS A 91 16.986 -12.384 0.815 1.00 0.00 C ATOM 1397 CD LYS A 91 18.438 -12.066 1.139 1.00 0.00 C ATOM 1398 CE LYS A 91 19.220 -11.655 -0.097 1.00 0.00 C ATOM 1399 NZ LYS A 91 19.340 -12.770 -1.074 1.00 0.00 N ATOM 0 H LYS A 91 14.547 -11.577 2.638 1.00 0.00 H new ATOM 0 HA LYS A 91 14.655 -13.718 0.719 1.00 0.00 H new ATOM 0 HB2 LYS A 91 16.486 -12.627 2.874 1.00 0.00 H new ATOM 0 HB3 LYS A 91 16.867 -14.123 2.044 1.00 0.00 H new ATOM 0 HG2 LYS A 91 16.932 -12.955 -0.112 1.00 0.00 H new ATOM 0 HG3 LYS A 91 16.434 -11.459 0.652 1.00 0.00 H new ATOM 0 HD2 LYS A 91 18.478 -11.264 1.876 1.00 0.00 H new ATOM 0 HD3 LYS A 91 18.908 -12.939 1.592 1.00 0.00 H new ATOM 0 HE2 LYS A 91 18.727 -10.807 -0.573 1.00 0.00 H new ATOM 0 HE3 LYS A 91 20.215 -11.322 0.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 20.144 -12.591 -1.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 19.494 -13.663 -0.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 18.466 -12.837 -1.634 1.00 0.00 H new ATOM 1413 N LEU A 92 15.171 -15.707 2.555 1.00 0.00 N ATOM 1414 CA LEU A 92 15.001 -16.820 3.473 1.00 0.00 C ATOM 1415 C LEU A 92 15.764 -16.553 4.766 1.00 0.00 C ATOM 1416 O LEU A 92 15.589 -17.251 5.762 1.00 0.00 O ATOM 1417 CB LEU A 92 15.440 -18.142 2.820 1.00 0.00 C ATOM 1418 CG LEU A 92 16.775 -18.122 2.056 1.00 0.00 C ATOM 1419 CD1 LEU A 92 17.965 -18.057 2.999 1.00 0.00 C ATOM 1420 CD2 LEU A 92 16.883 -19.347 1.164 1.00 0.00 C ATOM 0 H LEU A 92 15.876 -15.857 1.834 1.00 0.00 H new ATOM 0 HA LEU A 92 13.943 -16.916 3.717 1.00 0.00 H new ATOM 0 HB2 LEU A 92 15.504 -18.902 3.599 1.00 0.00 H new ATOM 0 HB3 LEU A 92 14.657 -18.458 2.130 1.00 0.00 H new ATOM 0 HG LEU A 92 16.791 -17.222 1.442 1.00 0.00 H new ATOM 0 HD11 LEU A 92 18.888 -18.045 2.420 1.00 0.00 H new ATOM 0 HD12 LEU A 92 17.903 -17.151 3.602 1.00 0.00 H new ATOM 0 HD13 LEU A 92 17.959 -18.929 3.653 1.00 0.00 H new ATOM 0 HD21 LEU A 92 17.831 -19.324 0.627 1.00 0.00 H new ATOM 0 HD22 LEU A 92 16.834 -20.248 1.776 1.00 0.00 H new ATOM 0 HD23 LEU A 92 16.061 -19.349 0.448 1.00 0.00 H new ATOM 1432 N GLU A 93 16.600 -15.519 4.735 1.00 0.00 N ATOM 1433 CA GLU A 93 17.371 -15.112 5.897 1.00 0.00 C ATOM 1434 C GLU A 93 16.936 -13.744 6.397 1.00 0.00 C ATOM 1435 O GLU A 93 17.467 -12.716 5.990 1.00 0.00 O ATOM 1436 CB GLU A 93 18.868 -15.103 5.596 1.00 0.00 C ATOM 1437 CG GLU A 93 19.545 -16.433 5.879 1.00 0.00 C ATOM 1438 CD GLU A 93 19.381 -16.863 7.325 1.00 0.00 C ATOM 1439 OE1 GLU A 93 20.051 -16.286 8.208 1.00 0.00 O ATOM 1440 OE2 GLU A 93 18.578 -17.781 7.589 1.00 0.00 O ATOM 0 H GLU A 93 16.759 -14.945 3.907 1.00 0.00 H new ATOM 0 HA GLU A 93 17.179 -15.845 6.680 1.00 0.00 H new ATOM 0 HB2 GLU A 93 19.020 -14.841 4.549 1.00 0.00 H new ATOM 0 HB3 GLU A 93 19.347 -14.325 6.191 1.00 0.00 H new ATOM 0 HG2 GLU A 93 19.127 -17.198 5.225 1.00 0.00 H new ATOM 0 HG3 GLU A 93 20.606 -16.356 5.643 1.00 0.00 H new