USER MOD reduce.3.24.130724 H: found=0, std=0, add=445, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 446 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 41 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 75 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 37 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 39 THR OG1 : rot 40:sc= 0.0755 USER MOD Set 3.1: A 30 LYS NZ :NH3+ -126:sc= -2.59! (180deg=-2.91!) USER MOD Set 3.2: A 31 MET CE :methyl 142:sc= -2.63 (180deg=-4.4!) USER MOD Single : A 26 LYS NZ :NH3+ 165:sc= -0.0513 (180deg=-0.298) USER MOD Single : A 34 THR OG1 : rot -87:sc= 0.2 USER MOD Single : A 36 ASN : amide:sc= -2.46 K(o=-2.5,f=-4.3!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -165:sc= -0.0465 (180deg=-0.333) USER MOD Single : A 54 SER OG : rot 180:sc= -1.37 USER MOD Single : A 57 MET CE :methyl -164:sc= -0.0791 (180deg=-0.499) USER MOD Single : A 59 SER OG : rot 180:sc= -0.0242 USER MOD Single : A 62 LYS NZ :NH3+ -164:sc= -0.0404 (180deg=-0.313) USER MOD Single : A 65 MET CE :methyl 172:sc= -1.98 (180deg=-2.12) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 349 N LEU A 25 -2.181 -8.543 1.295 1.00 0.00 N ATOM 350 CA LEU A 25 -1.383 -9.223 2.317 1.00 0.00 C ATOM 351 C LEU A 25 -0.967 -10.621 1.862 1.00 0.00 C ATOM 352 O LEU A 25 0.044 -11.156 2.319 1.00 0.00 O ATOM 353 CB LEU A 25 -2.186 -9.295 3.629 1.00 0.00 C ATOM 354 CG LEU A 25 -1.487 -9.944 4.838 1.00 0.00 C ATOM 355 CD1 LEU A 25 -1.498 -11.462 4.734 1.00 0.00 C ATOM 356 CD2 LEU A 25 -0.061 -9.430 4.982 1.00 0.00 C ATOM 0 HA LEU A 25 -0.470 -8.651 2.482 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.473 -8.281 3.907 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.107 -9.845 3.434 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.046 -9.663 5.731 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.997 -11.890 5.602 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.528 -11.817 4.698 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.977 -11.768 3.827 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.411 -9.903 5.843 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.504 -9.669 4.081 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.076 -8.350 5.125 1.00 0.00 H new ATOM 368 N LYS A 26 -1.753 -11.211 0.971 1.00 0.00 N ATOM 369 CA LYS A 26 -1.469 -12.552 0.479 1.00 0.00 C ATOM 370 C LYS A 26 -0.491 -12.558 -0.698 1.00 0.00 C ATOM 371 O LYS A 26 0.621 -13.069 -0.581 1.00 0.00 O ATOM 372 CB LYS A 26 -2.773 -13.237 0.062 1.00 0.00 C ATOM 373 CG LYS A 26 -2.580 -14.634 -0.510 1.00 0.00 C ATOM 374 CD LYS A 26 -1.961 -15.578 0.508 1.00 0.00 C ATOM 375 CE LYS A 26 -1.763 -16.969 -0.072 1.00 0.00 C ATOM 376 NZ LYS A 26 -0.853 -16.956 -1.251 1.00 0.00 N ATOM 0 H LYS A 26 -2.590 -10.783 0.575 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.996 -13.097 1.296 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -3.433 -13.297 0.927 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -3.276 -12.617 -0.680 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -3.542 -15.030 -0.836 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.942 -14.581 -1.392 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -1.001 -15.180 0.838 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -2.602 -15.637 1.388 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -1.354 -17.627 0.695 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -2.729 -17.381 -0.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -0.542 -17.926 -1.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -1.357 -16.569 -2.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -0.024 -16.364 -1.043 1.00 0.00 H new ATOM 390 N GLU A 27 -0.928 -12.037 -1.842 1.00 0.00 N ATOM 391 CA GLU A 27 -0.100 -12.035 -3.048 1.00 0.00 C ATOM 392 C GLU A 27 0.782 -10.795 -3.199 1.00 0.00 C ATOM 393 O GLU A 27 2.009 -10.882 -3.158 1.00 0.00 O ATOM 394 CB GLU A 27 -0.998 -12.152 -4.277 1.00 0.00 C ATOM 395 CG GLU A 27 -1.853 -13.408 -4.290 1.00 0.00 C ATOM 396 CD GLU A 27 -2.742 -13.497 -5.515 1.00 0.00 C ATOM 397 OE1 GLU A 27 -2.201 -13.517 -6.641 1.00 0.00 O ATOM 398 OE2 GLU A 27 -3.979 -13.547 -5.349 1.00 0.00 O ATOM 0 H GLU A 27 -1.848 -11.612 -1.960 1.00 0.00 H new ATOM 0 HA GLU A 27 0.572 -12.888 -2.956 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.649 -11.279 -4.325 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.377 -12.136 -5.173 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.205 -14.284 -4.251 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.473 -13.430 -3.394 1.00 0.00 H new ATOM 405 N LEU A 28 0.142 -9.655 -3.436 1.00 0.00 N ATOM 406 CA LEU A 28 0.846 -8.396 -3.671 1.00 0.00 C ATOM 407 C LEU A 28 1.724 -7.974 -2.495 1.00 0.00 C ATOM 408 O LEU A 28 2.950 -7.939 -2.608 1.00 0.00 O ATOM 409 CB LEU A 28 -0.174 -7.293 -3.988 1.00 0.00 C ATOM 410 CG LEU A 28 0.376 -6.063 -4.724 1.00 0.00 C ATOM 411 CD1 LEU A 28 1.327 -5.270 -3.840 1.00 0.00 C ATOM 412 CD2 LEU A 28 1.068 -6.485 -6.011 1.00 0.00 C ATOM 0 H LEU A 28 -0.874 -9.576 -3.471 1.00 0.00 H new ATOM 0 HA LEU A 28 1.514 -8.552 -4.518 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.973 -7.726 -4.590 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.624 -6.961 -3.052 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.464 -5.414 -4.973 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.699 -4.406 -4.390 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.799 -4.933 -2.948 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.165 -5.903 -3.548 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.453 -5.603 -6.523 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.893 -7.158 -5.777 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.354 -6.997 -6.657 1.00 0.00 H new ATOM 424 N PHE A 29 1.088 -7.615 -1.388 1.00 0.00 N ATOM 425 CA PHE A 29 1.796 -7.147 -0.201 1.00 0.00 C ATOM 426 C PHE A 29 3.003 -8.020 0.140 1.00 0.00 C ATOM 427 O PHE A 29 4.079 -7.505 0.443 1.00 0.00 O ATOM 428 CB PHE A 29 0.838 -7.096 0.985 1.00 0.00 C ATOM 429 CG PHE A 29 1.341 -6.267 2.127 1.00 0.00 C ATOM 430 CD1 PHE A 29 1.706 -4.946 1.929 1.00 0.00 C ATOM 431 CD2 PHE A 29 1.442 -6.804 3.397 1.00 0.00 C ATOM 432 CE1 PHE A 29 2.163 -4.176 2.978 1.00 0.00 C ATOM 433 CE2 PHE A 29 1.898 -6.040 4.451 1.00 0.00 C ATOM 434 CZ PHE A 29 2.260 -4.723 4.242 1.00 0.00 C ATOM 0 H PHE A 29 0.073 -7.639 -1.286 1.00 0.00 H new ATOM 0 HA PHE A 29 2.172 -6.148 -0.419 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.120 -6.696 0.651 1.00 0.00 H new ATOM 0 HB3 PHE A 29 0.654 -8.111 1.337 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.632 -4.514 0.942 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.161 -7.833 3.566 1.00 0.00 H new ATOM 0 HE1 PHE A 29 2.445 -3.147 2.811 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.972 -6.471 5.439 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.618 -4.123 5.065 1.00 0.00 H new ATOM 444 N LYS A 30 2.821 -9.335 0.103 1.00 0.00 N ATOM 445 CA LYS A 30 3.904 -10.260 0.424 1.00 0.00 C ATOM 446 C LYS A 30 5.010 -10.180 -0.625 1.00 0.00 C ATOM 447 O LYS A 30 6.196 -10.172 -0.295 1.00 0.00 O ATOM 448 CB LYS A 30 3.357 -11.693 0.539 1.00 0.00 C ATOM 449 CG LYS A 30 3.496 -12.548 -0.717 1.00 0.00 C ATOM 450 CD LYS A 30 4.868 -13.202 -0.809 1.00 0.00 C ATOM 451 CE LYS A 30 4.972 -14.116 -2.019 1.00 0.00 C ATOM 452 NZ LYS A 30 4.742 -13.379 -3.292 1.00 0.00 N ATOM 0 H LYS A 30 1.939 -9.784 -0.145 1.00 0.00 H new ATOM 0 HA LYS A 30 4.334 -9.977 1.385 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.870 -12.195 1.359 1.00 0.00 H new ATOM 0 HB3 LYS A 30 2.302 -11.641 0.808 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.725 -13.319 -0.719 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.329 -11.929 -1.598 1.00 0.00 H new ATOM 0 HD2 LYS A 30 5.636 -12.431 -0.868 1.00 0.00 H new ATOM 0 HD3 LYS A 30 5.060 -13.775 0.098 1.00 0.00 H new ATOM 0 HE2 LYS A 30 5.959 -14.579 -2.041 1.00 0.00 H new ATOM 0 HE3 LYS A 30 4.244 -14.922 -1.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 3.990 -13.850 -3.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 4.456 -12.402 -3.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 5.619 -13.370 -3.851 1.00 0.00 H new ATOM 466 N MET A 31 4.607 -10.128 -1.888 1.00 0.00 N ATOM 467 CA MET A 31 5.555 -10.057 -2.997 1.00 0.00 C ATOM 468 C MET A 31 6.370 -8.767 -2.932 1.00 0.00 C ATOM 469 O MET A 31 7.411 -8.644 -3.575 1.00 0.00 O ATOM 470 CB MET A 31 4.809 -10.131 -4.332 1.00 0.00 C ATOM 471 CG MET A 31 5.465 -11.029 -5.377 1.00 0.00 C ATOM 472 SD MET A 31 7.155 -10.545 -5.794 1.00 0.00 S ATOM 473 CE MET A 31 8.092 -11.370 -4.508 1.00 0.00 C ATOM 0 H MET A 31 3.627 -10.134 -2.172 1.00 0.00 H new ATOM 0 HA MET A 31 6.237 -10.903 -2.918 1.00 0.00 H new ATOM 0 HB2 MET A 31 3.796 -10.490 -4.148 1.00 0.00 H new ATOM 0 HB3 MET A 31 4.721 -9.124 -4.741 1.00 0.00 H new ATOM 0 HG2 MET A 31 5.471 -12.055 -5.009 1.00 0.00 H new ATOM 0 HG3 MET A 31 4.860 -11.019 -6.283 1.00 0.00 H new ATOM 0 HE1 MET A 31 9.024 -11.751 -4.925 1.00 0.00 H new ATOM 0 HE2 MET A 31 8.314 -10.663 -3.709 1.00 0.00 H new ATOM 0 HE3 MET A 31 7.508 -12.199 -4.107 1.00 0.00 H new ATOM 483 N ILE A 32 5.892 -7.810 -2.145 1.00 0.00 N ATOM 484 CA ILE A 32 6.579 -6.534 -1.993 1.00 0.00 C ATOM 485 C ILE A 32 7.523 -6.574 -0.801 1.00 0.00 C ATOM 486 O ILE A 32 8.673 -6.145 -0.888 1.00 0.00 O ATOM 487 CB ILE A 32 5.583 -5.369 -1.815 1.00 0.00 C ATOM 488 CG1 ILE A 32 4.665 -5.257 -3.036 1.00 0.00 C ATOM 489 CG2 ILE A 32 6.329 -4.061 -1.583 1.00 0.00 C ATOM 490 CD1 ILE A 32 5.401 -4.995 -4.335 1.00 0.00 C ATOM 0 H ILE A 32 5.032 -7.894 -1.603 1.00 0.00 H new ATOM 0 HA ILE A 32 7.149 -6.365 -2.906 1.00 0.00 H new ATOM 0 HB ILE A 32 4.966 -5.572 -0.940 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.092 -6.179 -3.134 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.948 -4.453 -2.867 1.00 0.00 H new ATOM 0 HG21 ILE A 32 5.611 -3.250 -1.460 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.940 -4.145 -0.684 1.00 0.00 H new ATOM 0 HG23 ILE A 32 6.970 -3.851 -2.439 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.683 -4.929 -5.153 1.00 0.00 H new ATOM 0 HD12 ILE A 32 5.952 -4.057 -4.258 1.00 0.00 H new ATOM 0 HD13 ILE A 32 6.098 -5.810 -4.529 1.00 0.00 H new ATOM 502 N ASP A 33 7.022 -7.097 0.310 1.00 0.00 N ATOM 503 CA ASP A 33 7.808 -7.204 1.528 1.00 0.00 C ATOM 504 C ASP A 33 8.959 -8.181 1.337 1.00 0.00 C ATOM 505 O ASP A 33 8.740 -9.372 1.111 1.00 0.00 O ATOM 506 CB ASP A 33 6.922 -7.670 2.685 1.00 0.00 C ATOM 507 CG ASP A 33 7.624 -7.598 4.028 1.00 0.00 C ATOM 508 OD1 ASP A 33 8.778 -7.123 4.072 1.00 0.00 O ATOM 509 OD2 ASP A 33 7.016 -8.009 5.037 1.00 0.00 O ATOM 0 H ASP A 33 6.070 -7.455 0.391 1.00 0.00 H new ATOM 0 HA ASP A 33 8.217 -6.221 1.761 1.00 0.00 H new ATOM 0 HB2 ASP A 33 6.022 -7.056 2.717 1.00 0.00 H new ATOM 0 HB3 ASP A 33 6.602 -8.696 2.502 1.00 0.00 H new ATOM 514 N THR A 34 10.186 -7.681 1.443 1.00 0.00 N ATOM 515 CA THR A 34 11.360 -8.530 1.296 1.00 0.00 C ATOM 516 C THR A 34 11.404 -9.532 2.440 1.00 0.00 C ATOM 517 O THR A 34 12.189 -10.481 2.432 1.00 0.00 O ATOM 518 CB THR A 34 12.637 -7.684 1.276 1.00 0.00 C ATOM 519 OG1 THR A 34 12.578 -6.713 0.246 1.00 0.00 O ATOM 520 CG2 THR A 34 13.895 -8.499 1.061 1.00 0.00 C ATOM 0 H THR A 34 10.391 -6.699 1.629 1.00 0.00 H new ATOM 0 HA THR A 34 11.297 -9.067 0.350 1.00 0.00 H new ATOM 0 HB THR A 34 12.688 -7.218 2.260 1.00 0.00 H new ATOM 0 HG1 THR A 34 12.915 -7.100 -0.589 1.00 0.00 H new ATOM 0 HG21 THR A 34 14.761 -7.837 1.058 1.00 0.00 H new ATOM 0 HG22 THR A 34 13.998 -9.228 1.865 1.00 0.00 H new ATOM 0 HG23 THR A 34 13.833 -9.019 0.105 1.00 0.00 H new ATOM 528 N ASP A 35 10.539 -9.307 3.423 1.00 0.00 N ATOM 529 CA ASP A 35 10.449 -10.173 4.586 1.00 0.00 C ATOM 530 C ASP A 35 9.137 -10.936 4.608 1.00 0.00 C ATOM 531 O ASP A 35 8.967 -11.845 5.422 1.00 0.00 O ATOM 532 CB ASP A 35 10.598 -9.358 5.871 1.00 0.00 C ATOM 533 CG ASP A 35 11.985 -8.764 6.029 1.00 0.00 C ATOM 534 OD1 ASP A 35 12.834 -8.988 5.140 1.00 0.00 O ATOM 535 OD2 ASP A 35 12.223 -8.074 7.043 1.00 0.00 O ATOM 0 H ASP A 35 9.886 -8.524 3.434 1.00 0.00 H new ATOM 0 HA ASP A 35 11.262 -10.896 4.523 1.00 0.00 H new ATOM 0 HB2 ASP A 35 9.861 -8.555 5.875 1.00 0.00 H new ATOM 0 HB3 ASP A 35 10.380 -9.995 6.728 1.00 0.00 H new ATOM 540 N ASN A 36 8.207 -10.561 3.721 1.00 0.00 N ATOM 541 CA ASN A 36 6.901 -11.209 3.656 1.00 0.00 C ATOM 542 C ASN A 36 6.372 -11.479 5.059 1.00 0.00 C ATOM 543 O ASN A 36 5.581 -12.398 5.274 1.00 0.00 O ATOM 544 CB ASN A 36 6.957 -12.511 2.843 1.00 0.00 C ATOM 545 CG ASN A 36 7.911 -13.542 3.418 1.00 0.00 C ATOM 546 OD1 ASN A 36 9.130 -13.376 3.369 1.00 0.00 O ATOM 547 ND2 ASN A 36 7.358 -14.617 3.968 1.00 0.00 N ATOM 0 H ASN A 36 8.339 -9.812 3.041 1.00 0.00 H new ATOM 0 HA ASN A 36 6.218 -10.530 3.146 1.00 0.00 H new ATOM 0 HB2 ASN A 36 5.957 -12.941 2.792 1.00 0.00 H new ATOM 0 HB3 ASN A 36 7.257 -12.280 1.821 1.00 0.00 H new ATOM 0 HD21 ASN A 36 7.948 -15.345 4.371 1.00 0.00 H new ATOM 0 HD22 ASN A 36 6.343 -14.715 3.988 1.00 0.00 H new ATOM 554 N SER A 37 6.813 -10.657 6.010 1.00 0.00 N ATOM 555 CA SER A 37 6.386 -10.786 7.392 1.00 0.00 C ATOM 556 C SER A 37 5.095 -10.020 7.580 1.00 0.00 C ATOM 557 O SER A 37 4.366 -10.214 8.553 1.00 0.00 O ATOM 558 CB SER A 37 7.464 -10.252 8.338 1.00 0.00 C ATOM 559 OG SER A 37 7.756 -8.892 8.062 1.00 0.00 O ATOM 0 H SER A 37 7.468 -9.893 5.842 1.00 0.00 H new ATOM 0 HA SER A 37 6.224 -11.838 7.625 1.00 0.00 H new ATOM 0 HB2 SER A 37 7.129 -10.353 9.370 1.00 0.00 H new ATOM 0 HB3 SER A 37 8.370 -10.850 8.237 1.00 0.00 H new ATOM 0 HG SER A 37 8.446 -8.574 8.680 1.00 0.00 H new ATOM 565 N GLY A 38 4.826 -9.149 6.619 1.00 0.00 N ATOM 566 CA GLY A 38 3.619 -8.346 6.655 1.00 0.00 C ATOM 567 C GLY A 38 3.903 -6.888 6.943 1.00 0.00 C ATOM 568 O GLY A 38 2.992 -6.116 7.244 1.00 0.00 O ATOM 0 H GLY A 38 5.425 -8.983 5.810 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.101 -8.430 5.699 1.00 0.00 H new ATOM 0 HA3 GLY A 38 2.947 -8.740 7.417 1.00 0.00 H new ATOM 572 N THR A 39 5.171 -6.511 6.844 1.00 0.00 N ATOM 573 CA THR A 39 5.586 -5.136 7.086 1.00 0.00 C ATOM 574 C THR A 39 6.774 -4.779 6.204 1.00 0.00 C ATOM 575 O THR A 39 7.748 -5.528 6.129 1.00 0.00 O ATOM 576 CB THR A 39 5.948 -4.940 8.559 1.00 0.00 C ATOM 577 OG1 THR A 39 6.927 -5.879 8.965 1.00 0.00 O ATOM 578 CG2 THR A 39 4.763 -5.073 9.492 1.00 0.00 C ATOM 0 H THR A 39 5.933 -7.142 6.596 1.00 0.00 H new ATOM 0 HA THR A 39 4.755 -4.476 6.839 1.00 0.00 H new ATOM 0 HB THR A 39 6.328 -3.921 8.629 1.00 0.00 H new ATOM 0 HG1 THR A 39 7.589 -5.990 8.251 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.091 -4.922 10.521 1.00 0.00 H new ATOM 0 HG22 THR A 39 4.013 -4.324 9.237 1.00 0.00 H new ATOM 0 HG23 THR A 39 4.330 -6.068 9.391 1.00 0.00 H new ATOM 586 N ILE A 40 6.690 -3.635 5.533 1.00 0.00 N ATOM 587 CA ILE A 40 7.766 -3.194 4.655 1.00 0.00 C ATOM 588 C ILE A 40 8.521 -2.016 5.260 1.00 0.00 C ATOM 589 O ILE A 40 7.936 -1.172 5.937 1.00 0.00 O ATOM 590 CB ILE A 40 7.235 -2.779 3.260 1.00 0.00 C ATOM 591 CG1 ILE A 40 6.754 -3.995 2.470 1.00 0.00 C ATOM 592 CG2 ILE A 40 8.306 -2.038 2.470 1.00 0.00 C ATOM 593 CD1 ILE A 40 5.537 -4.675 3.060 1.00 0.00 C ATOM 0 H ILE A 40 5.893 -3.000 5.580 1.00 0.00 H new ATOM 0 HA ILE A 40 8.440 -4.043 4.541 1.00 0.00 H new ATOM 0 HB ILE A 40 6.388 -2.110 3.417 1.00 0.00 H new ATOM 0 HG12 ILE A 40 6.525 -3.685 1.451 1.00 0.00 H new ATOM 0 HG13 ILE A 40 7.567 -4.719 2.408 1.00 0.00 H new ATOM 0 HG21 ILE A 40 7.909 -1.757 1.494 1.00 0.00 H new ATOM 0 HG22 ILE A 40 8.603 -1.141 3.013 1.00 0.00 H new ATOM 0 HG23 ILE A 40 9.173 -2.685 2.337 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.260 -5.528 2.440 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.766 -5.019 4.069 1.00 0.00 H new ATOM 0 HD13 ILE A 40 4.708 -3.969 3.097 1.00 0.00 H new ATOM 605 N THR A 41 9.818 -1.952 4.991 1.00 0.00 N ATOM 606 CA THR A 41 10.647 -0.864 5.486 1.00 0.00 C ATOM 607 C THR A 41 11.512 -0.322 4.358 1.00 0.00 C ATOM 608 O THR A 41 11.722 -0.998 3.362 1.00 0.00 O ATOM 609 CB THR A 41 11.532 -1.335 6.638 1.00 0.00 C ATOM 610 OG1 THR A 41 10.777 -2.071 7.584 1.00 0.00 O ATOM 611 CG2 THR A 41 12.203 -0.199 7.381 1.00 0.00 C ATOM 0 H THR A 41 10.319 -2.643 4.432 1.00 0.00 H new ATOM 0 HA THR A 41 9.994 -0.073 5.856 1.00 0.00 H new ATOM 0 HB THR A 41 12.300 -1.954 6.174 1.00 0.00 H new ATOM 0 HG1 THR A 41 11.363 -2.365 8.313 1.00 0.00 H new ATOM 0 HG21 THR A 41 12.816 -0.603 8.186 1.00 0.00 H new ATOM 0 HG22 THR A 41 12.833 0.364 6.693 1.00 0.00 H new ATOM 0 HG23 THR A 41 11.443 0.461 7.800 1.00 0.00 H new ATOM 619 N PHE A 42 11.996 0.897 4.534 1.00 0.00 N ATOM 620 CA PHE A 42 12.840 1.577 3.556 1.00 0.00 C ATOM 621 C PHE A 42 13.772 0.616 2.819 1.00 0.00 C ATOM 622 O PHE A 42 13.713 0.500 1.595 1.00 0.00 O ATOM 623 CB PHE A 42 13.664 2.649 4.268 1.00 0.00 C ATOM 624 CG PHE A 42 14.533 3.450 3.349 1.00 0.00 C ATOM 625 CD1 PHE A 42 13.997 4.061 2.230 1.00 0.00 C ATOM 626 CD2 PHE A 42 15.885 3.590 3.604 1.00 0.00 C ATOM 627 CE1 PHE A 42 14.793 4.798 1.381 1.00 0.00 C ATOM 628 CE2 PHE A 42 16.689 4.327 2.758 1.00 0.00 C ATOM 629 CZ PHE A 42 16.142 4.933 1.643 1.00 0.00 C ATOM 0 H PHE A 42 11.813 1.452 5.370 1.00 0.00 H new ATOM 0 HA PHE A 42 12.187 2.027 2.808 1.00 0.00 H new ATOM 0 HB2 PHE A 42 12.989 3.323 4.795 1.00 0.00 H new ATOM 0 HB3 PHE A 42 14.290 2.172 5.022 1.00 0.00 H new ATOM 0 HD1 PHE A 42 12.943 3.959 2.019 1.00 0.00 H new ATOM 0 HD2 PHE A 42 16.316 3.118 4.474 1.00 0.00 H new ATOM 0 HE1 PHE A 42 14.362 5.270 0.511 1.00 0.00 H new ATOM 0 HE2 PHE A 42 17.744 4.430 2.967 1.00 0.00 H new ATOM 0 HZ PHE A 42 16.768 5.510 0.979 1.00 0.00 H new ATOM 639 N ASP A 43 14.640 -0.056 3.570 1.00 0.00 N ATOM 640 CA ASP A 43 15.595 -0.995 2.986 1.00 0.00 C ATOM 641 C ASP A 43 14.889 -2.011 2.091 1.00 0.00 C ATOM 642 O ASP A 43 15.393 -2.377 1.029 1.00 0.00 O ATOM 643 CB ASP A 43 16.366 -1.719 4.093 1.00 0.00 C ATOM 644 CG ASP A 43 17.467 -2.614 3.554 1.00 0.00 C ATOM 645 OD1 ASP A 43 17.663 -2.644 2.321 1.00 0.00 O ATOM 646 OD2 ASP A 43 18.139 -3.281 4.369 1.00 0.00 O ATOM 0 H ASP A 43 14.702 0.032 4.584 1.00 0.00 H new ATOM 0 HA ASP A 43 16.295 -0.428 2.372 1.00 0.00 H new ATOM 0 HB2 ASP A 43 16.801 -0.982 4.768 1.00 0.00 H new ATOM 0 HB3 ASP A 43 15.671 -2.319 4.681 1.00 0.00 H new ATOM 651 N GLU A 44 13.721 -2.463 2.531 1.00 0.00 N ATOM 652 CA GLU A 44 12.939 -3.438 1.780 1.00 0.00 C ATOM 653 C GLU A 44 12.010 -2.748 0.785 1.00 0.00 C ATOM 654 O GLU A 44 11.454 -3.389 -0.107 1.00 0.00 O ATOM 655 CB GLU A 44 12.113 -4.292 2.740 1.00 0.00 C ATOM 656 CG GLU A 44 12.943 -4.999 3.797 1.00 0.00 C ATOM 657 CD GLU A 44 12.086 -5.757 4.789 1.00 0.00 C ATOM 658 OE1 GLU A 44 11.318 -6.639 4.355 1.00 0.00 O ATOM 659 OE2 GLU A 44 12.182 -5.467 6.001 1.00 0.00 O ATOM 0 H GLU A 44 13.293 -2.168 3.409 1.00 0.00 H new ATOM 0 HA GLU A 44 13.631 -4.072 1.225 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.376 -3.658 3.233 1.00 0.00 H new ATOM 0 HB3 GLU A 44 11.561 -5.036 2.167 1.00 0.00 H new ATOM 0 HG2 GLU A 44 13.632 -5.691 3.312 1.00 0.00 H new ATOM 0 HG3 GLU A 44 13.549 -4.266 4.330 1.00 0.00 H new ATOM 666 N LEU A 45 11.836 -1.441 0.953 1.00 0.00 N ATOM 667 CA LEU A 45 10.963 -0.669 0.083 1.00 0.00 C ATOM 668 C LEU A 45 11.571 -0.502 -1.304 1.00 0.00 C ATOM 669 O LEU A 45 10.975 -0.898 -2.307 1.00 0.00 O ATOM 670 CB LEU A 45 10.676 0.710 0.676 1.00 0.00 C ATOM 671 CG LEU A 45 9.700 1.558 -0.142 1.00 0.00 C ATOM 672 CD1 LEU A 45 8.314 0.931 -0.145 1.00 0.00 C ATOM 673 CD2 LEU A 45 9.646 2.976 0.394 1.00 0.00 C ATOM 0 H LEU A 45 12.290 -0.896 1.686 1.00 0.00 H new ATOM 0 HA LEU A 45 10.028 -1.223 -0.004 1.00 0.00 H new ATOM 0 HB2 LEU A 45 10.274 0.583 1.681 1.00 0.00 H new ATOM 0 HB3 LEU A 45 11.616 1.253 0.774 1.00 0.00 H new ATOM 0 HG LEU A 45 10.059 1.595 -1.171 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.636 1.550 -0.732 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.367 -0.066 -0.583 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.945 0.859 0.878 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.947 3.563 -0.201 1.00 0.00 H new ATOM 0 HD22 LEU A 45 9.315 2.960 1.432 1.00 0.00 H new ATOM 0 HD23 LEU A 45 10.638 3.425 0.336 1.00 0.00 H new ATOM 685 N LYS A 46 12.756 0.101 -1.351 1.00 0.00 N ATOM 686 CA LYS A 46 13.450 0.341 -2.608 1.00 0.00 C ATOM 687 C LYS A 46 13.663 -0.954 -3.378 1.00 0.00 C ATOM 688 O LYS A 46 13.737 -0.938 -4.599 1.00 0.00 O ATOM 689 CB LYS A 46 14.797 1.021 -2.353 1.00 0.00 C ATOM 690 CG LYS A 46 15.734 0.213 -1.469 1.00 0.00 C ATOM 691 CD LYS A 46 17.080 0.903 -1.297 1.00 0.00 C ATOM 692 CE LYS A 46 17.812 1.041 -2.624 1.00 0.00 C ATOM 693 NZ LYS A 46 19.136 1.704 -2.463 1.00 0.00 N ATOM 0 H LYS A 46 13.256 0.433 -0.526 1.00 0.00 H new ATOM 0 HA LYS A 46 12.824 0.999 -3.211 1.00 0.00 H new ATOM 0 HB2 LYS A 46 15.286 1.208 -3.309 1.00 0.00 H new ATOM 0 HB3 LYS A 46 14.622 1.992 -1.889 1.00 0.00 H new ATOM 0 HG2 LYS A 46 15.274 0.064 -0.492 1.00 0.00 H new ATOM 0 HG3 LYS A 46 15.884 -0.775 -1.905 1.00 0.00 H new ATOM 0 HD2 LYS A 46 16.930 1.890 -0.859 1.00 0.00 H new ATOM 0 HD3 LYS A 46 17.695 0.334 -0.599 1.00 0.00 H new ATOM 0 HE2 LYS A 46 17.952 0.054 -3.066 1.00 0.00 H new ATOM 0 HE3 LYS A 46 17.200 1.617 -3.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 19.602 1.779 -3.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 19.002 2.656 -2.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 19.730 1.141 -1.821 1.00 0.00 H new ATOM 707 N ASP A 47 13.758 -2.069 -2.656 1.00 0.00 N ATOM 708 CA ASP A 47 13.964 -3.377 -3.275 1.00 0.00 C ATOM 709 C ASP A 47 12.931 -3.639 -4.366 1.00 0.00 C ATOM 710 O ASP A 47 13.119 -4.512 -5.212 1.00 0.00 O ATOM 711 CB ASP A 47 13.899 -4.482 -2.220 1.00 0.00 C ATOM 712 CG ASP A 47 14.134 -5.859 -2.809 1.00 0.00 C ATOM 713 OD1 ASP A 47 15.218 -6.079 -3.390 1.00 0.00 O ATOM 714 OD2 ASP A 47 13.235 -6.718 -2.691 1.00 0.00 O ATOM 0 H ASP A 47 13.695 -2.092 -1.638 1.00 0.00 H new ATOM 0 HA ASP A 47 14.953 -3.378 -3.733 1.00 0.00 H new ATOM 0 HB2 ASP A 47 14.644 -4.288 -1.448 1.00 0.00 H new ATOM 0 HB3 ASP A 47 12.924 -4.459 -1.734 1.00 0.00 H new ATOM 719 N GLY A 48 11.850 -2.867 -4.352 1.00 0.00 N ATOM 720 CA GLY A 48 10.819 -3.025 -5.359 1.00 0.00 C ATOM 721 C GLY A 48 11.309 -2.565 -6.712 1.00 0.00 C ATOM 722 O GLY A 48 11.247 -3.304 -7.694 1.00 0.00 O ATOM 0 H GLY A 48 11.670 -2.137 -3.663 1.00 0.00 H new ATOM 0 HA2 GLY A 48 10.517 -4.071 -5.414 1.00 0.00 H new ATOM 0 HA3 GLY A 48 9.936 -2.452 -5.074 1.00 0.00 H new ATOM 726 N LEU A 49 11.825 -1.343 -6.748 1.00 0.00 N ATOM 727 CA LEU A 49 12.365 -0.771 -7.970 1.00 0.00 C ATOM 728 C LEU A 49 13.849 -1.100 -8.078 1.00 0.00 C ATOM 729 O LEU A 49 14.466 -0.918 -9.126 1.00 0.00 O ATOM 730 CB LEU A 49 12.155 0.744 -7.990 1.00 0.00 C ATOM 731 CG LEU A 49 10.697 1.200 -7.899 1.00 0.00 C ATOM 732 CD1 LEU A 49 10.617 2.718 -7.869 1.00 0.00 C ATOM 733 CD2 LEU A 49 9.889 0.646 -9.063 1.00 0.00 C ATOM 0 H LEU A 49 11.880 -0.727 -5.937 1.00 0.00 H new ATOM 0 HA LEU A 49 11.841 -1.201 -8.824 1.00 0.00 H new ATOM 0 HB2 LEU A 49 12.709 1.183 -7.160 1.00 0.00 H new ATOM 0 HB3 LEU A 49 12.587 1.143 -8.908 1.00 0.00 H new ATOM 0 HG LEU A 49 10.272 0.813 -6.973 1.00 0.00 H new ATOM 0 HD11 LEU A 49 9.573 3.026 -7.804 1.00 0.00 H new ATOM 0 HD12 LEU A 49 11.161 3.094 -7.002 1.00 0.00 H new ATOM 0 HD13 LEU A 49 11.059 3.124 -8.779 1.00 0.00 H new ATOM 0 HD21 LEU A 49 8.855 0.981 -8.980 1.00 0.00 H new ATOM 0 HD22 LEU A 49 10.312 1.003 -10.002 1.00 0.00 H new ATOM 0 HD23 LEU A 49 9.920 -0.443 -9.042 1.00 0.00 H new ATOM 745 N LYS A 50 14.412 -1.589 -6.975 1.00 0.00 N ATOM 746 CA LYS A 50 15.821 -1.951 -6.927 1.00 0.00 C ATOM 747 C LYS A 50 16.032 -3.348 -7.495 1.00 0.00 C ATOM 748 O LYS A 50 17.112 -3.674 -7.990 1.00 0.00 O ATOM 749 CB LYS A 50 16.347 -1.883 -5.491 1.00 0.00 C ATOM 750 CG LYS A 50 17.834 -2.177 -5.368 1.00 0.00 C ATOM 751 CD LYS A 50 18.670 -1.173 -6.146 1.00 0.00 C ATOM 752 CE LYS A 50 20.157 -1.446 -5.992 1.00 0.00 C ATOM 753 NZ LYS A 50 20.587 -1.382 -4.568 1.00 0.00 N ATOM 0 H LYS A 50 13.909 -1.743 -6.101 1.00 0.00 H new ATOM 0 HA LYS A 50 16.376 -1.237 -7.535 1.00 0.00 H new ATOM 0 HB2 LYS A 50 16.148 -0.890 -5.088 1.00 0.00 H new ATOM 0 HB3 LYS A 50 15.794 -2.594 -4.877 1.00 0.00 H new ATOM 0 HG2 LYS A 50 18.124 -2.156 -4.317 1.00 0.00 H new ATOM 0 HG3 LYS A 50 18.038 -3.183 -5.735 1.00 0.00 H new ATOM 0 HD2 LYS A 50 18.399 -1.213 -7.201 1.00 0.00 H new ATOM 0 HD3 LYS A 50 18.446 -0.165 -5.798 1.00 0.00 H new ATOM 0 HE2 LYS A 50 20.390 -2.431 -6.398 1.00 0.00 H new ATOM 0 HE3 LYS A 50 20.722 -0.719 -6.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 21.624 -1.319 -4.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 20.168 -0.544 -4.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 20.270 -2.238 -4.071 1.00 0.00 H new ATOM 767 N ARG A 51 14.986 -4.166 -7.432 1.00 0.00 N ATOM 768 CA ARG A 51 15.048 -5.526 -7.952 1.00 0.00 C ATOM 769 C ARG A 51 15.041 -5.498 -9.473 1.00 0.00 C ATOM 770 O ARG A 51 15.508 -6.430 -10.130 1.00 0.00 O ATOM 771 CB ARG A 51 13.863 -6.349 -7.438 1.00 0.00 C ATOM 772 CG ARG A 51 13.779 -7.744 -8.039 1.00 0.00 C ATOM 773 CD ARG A 51 12.558 -8.499 -7.535 1.00 0.00 C ATOM 774 NE ARG A 51 12.406 -9.799 -8.186 1.00 0.00 N ATOM 775 CZ ARG A 51 13.289 -10.790 -8.082 1.00 0.00 C ATOM 776 NH1 ARG A 51 14.379 -10.641 -7.340 1.00 0.00 N ATOM 777 NH2 ARG A 51 13.078 -11.935 -8.717 1.00 0.00 N ATOM 0 H ARG A 51 14.086 -3.910 -7.026 1.00 0.00 H new ATOM 0 HA ARG A 51 15.971 -5.992 -7.606 1.00 0.00 H new ATOM 0 HB2 ARG A 51 13.935 -6.434 -6.354 1.00 0.00 H new ATOM 0 HB3 ARG A 51 12.939 -5.813 -7.655 1.00 0.00 H new ATOM 0 HG2 ARG A 51 13.739 -7.671 -9.126 1.00 0.00 H new ATOM 0 HG3 ARG A 51 14.681 -8.303 -7.790 1.00 0.00 H new ATOM 0 HD2 ARG A 51 12.640 -8.641 -6.457 1.00 0.00 H new ATOM 0 HD3 ARG A 51 11.664 -7.900 -7.710 1.00 0.00 H new ATOM 0 HE ARG A 51 11.574 -9.956 -8.754 1.00 0.00 H new ATOM 0 HH11 ARG A 51 14.544 -9.764 -6.846 1.00 0.00 H new ATOM 0 HH12 ARG A 51 15.052 -11.403 -7.264 1.00 0.00 H new ATOM 0 HH21 ARG A 51 12.239 -12.056 -9.285 1.00 0.00 H new ATOM 0 HH22 ARG A 51 13.754 -12.694 -8.638 1.00 0.00 H new ATOM 791 N VAL A 52 14.506 -4.415 -10.022 1.00 0.00 N ATOM 792 CA VAL A 52 14.429 -4.245 -11.462 1.00 0.00 C ATOM 793 C VAL A 52 15.566 -3.359 -11.969 1.00 0.00 C ATOM 794 O VAL A 52 16.026 -3.512 -13.101 1.00 0.00 O ATOM 795 CB VAL A 52 13.070 -3.647 -11.876 1.00 0.00 C ATOM 796 CG1 VAL A 52 12.877 -2.262 -11.278 1.00 0.00 C ATOM 797 CG2 VAL A 52 12.944 -3.604 -13.385 1.00 0.00 C ATOM 0 H VAL A 52 14.118 -3.639 -9.486 1.00 0.00 H new ATOM 0 HA VAL A 52 14.527 -5.231 -11.916 1.00 0.00 H new ATOM 0 HB VAL A 52 12.284 -4.292 -11.484 1.00 0.00 H new ATOM 0 HG11 VAL A 52 11.910 -1.864 -11.586 1.00 0.00 H new ATOM 0 HG12 VAL A 52 12.912 -2.327 -10.191 1.00 0.00 H new ATOM 0 HG13 VAL A 52 13.670 -1.601 -11.628 1.00 0.00 H new ATOM 0 HG21 VAL A 52 11.978 -3.179 -13.657 1.00 0.00 H new ATOM 0 HG22 VAL A 52 13.742 -2.987 -13.799 1.00 0.00 H new ATOM 0 HG23 VAL A 52 13.021 -4.615 -13.786 1.00 0.00 H new ATOM 807 N GLY A 53 16.025 -2.445 -11.115 1.00 0.00 N ATOM 808 CA GLY A 53 17.117 -1.559 -11.482 1.00 0.00 C ATOM 809 C GLY A 53 16.865 -0.805 -12.775 1.00 0.00 C ATOM 810 O GLY A 53 17.726 -0.773 -13.655 1.00 0.00 O ATOM 0 H GLY A 53 15.659 -2.303 -10.174 1.00 0.00 H new ATOM 0 HA2 GLY A 53 17.282 -0.843 -10.677 1.00 0.00 H new ATOM 0 HA3 GLY A 53 18.032 -2.142 -11.581 1.00 0.00 H new ATOM 814 N SER A 54 15.688 -0.197 -12.894 1.00 0.00 N ATOM 815 CA SER A 54 15.344 0.555 -14.096 1.00 0.00 C ATOM 816 C SER A 54 15.593 2.049 -13.898 1.00 0.00 C ATOM 817 O SER A 54 16.740 2.499 -13.905 1.00 0.00 O ATOM 818 CB SER A 54 13.884 0.304 -14.484 1.00 0.00 C ATOM 819 OG SER A 54 13.667 -1.060 -14.797 1.00 0.00 O ATOM 0 H SER A 54 14.961 -0.210 -12.178 1.00 0.00 H new ATOM 0 HA SER A 54 15.986 0.209 -14.906 1.00 0.00 H new ATOM 0 HB2 SER A 54 13.230 0.601 -13.664 1.00 0.00 H new ATOM 0 HB3 SER A 54 13.621 0.923 -15.341 1.00 0.00 H new ATOM 0 HG SER A 54 12.727 -1.194 -15.040 1.00 0.00 H new ATOM 825 N GLU A 55 14.519 2.815 -13.720 1.00 0.00 N ATOM 826 CA GLU A 55 14.632 4.254 -13.520 1.00 0.00 C ATOM 827 C GLU A 55 14.026 4.662 -12.183 1.00 0.00 C ATOM 828 O GLU A 55 12.936 5.234 -12.130 1.00 0.00 O ATOM 829 CB GLU A 55 13.942 5.005 -14.661 1.00 0.00 C ATOM 830 CG GLU A 55 14.561 4.741 -16.024 1.00 0.00 C ATOM 831 CD GLU A 55 16.010 5.182 -16.102 1.00 0.00 C ATOM 832 OE1 GLU A 55 16.275 6.387 -15.914 1.00 0.00 O ATOM 833 OE2 GLU A 55 16.879 4.320 -16.350 1.00 0.00 O ATOM 0 H GLU A 55 13.562 2.462 -13.711 1.00 0.00 H new ATOM 0 HA GLU A 55 15.690 4.516 -13.514 1.00 0.00 H new ATOM 0 HB2 GLU A 55 12.890 4.721 -14.688 1.00 0.00 H new ATOM 0 HB3 GLU A 55 13.979 6.075 -14.455 1.00 0.00 H new ATOM 0 HG2 GLU A 55 14.497 3.676 -16.248 1.00 0.00 H new ATOM 0 HG3 GLU A 55 13.985 5.263 -16.788 1.00 0.00 H new ATOM 840 N LEU A 56 14.743 4.367 -11.105 1.00 0.00 N ATOM 841 CA LEU A 56 14.280 4.706 -9.765 1.00 0.00 C ATOM 842 C LEU A 56 15.098 5.835 -9.169 1.00 0.00 C ATOM 843 O LEU A 56 16.174 6.174 -9.664 1.00 0.00 O ATOM 844 CB LEU A 56 14.343 3.502 -8.820 1.00 0.00 C ATOM 845 CG LEU A 56 15.689 2.771 -8.752 1.00 0.00 C ATOM 846 CD1 LEU A 56 15.735 1.862 -7.533 1.00 0.00 C ATOM 847 CD2 LEU A 56 15.929 1.958 -10.016 1.00 0.00 C ATOM 0 H LEU A 56 15.646 3.894 -11.133 1.00 0.00 H new ATOM 0 HA LEU A 56 13.242 5.022 -9.870 1.00 0.00 H new ATOM 0 HB2 LEU A 56 14.084 3.839 -7.816 1.00 0.00 H new ATOM 0 HB3 LEU A 56 13.578 2.787 -9.123 1.00 0.00 H new ATOM 0 HG LEU A 56 16.477 3.519 -8.668 1.00 0.00 H new ATOM 0 HD11 LEU A 56 16.696 1.349 -7.497 1.00 0.00 H new ATOM 0 HD12 LEU A 56 15.608 2.458 -6.629 1.00 0.00 H new ATOM 0 HD13 LEU A 56 14.934 1.126 -7.597 1.00 0.00 H new ATOM 0 HD21 LEU A 56 16.890 1.449 -9.944 1.00 0.00 H new ATOM 0 HD22 LEU A 56 15.135 1.220 -10.130 1.00 0.00 H new ATOM 0 HD23 LEU A 56 15.934 2.622 -10.880 1.00 0.00 H new ATOM 859 N MET A 57 14.582 6.398 -8.089 1.00 0.00 N ATOM 860 CA MET A 57 15.255 7.476 -7.393 1.00 0.00 C ATOM 861 C MET A 57 15.411 7.129 -5.923 1.00 0.00 C ATOM 862 O MET A 57 14.429 7.098 -5.181 1.00 0.00 O ATOM 863 CB MET A 57 14.468 8.780 -7.533 1.00 0.00 C ATOM 864 CG MET A 57 14.177 9.162 -8.973 1.00 0.00 C ATOM 865 SD MET A 57 15.674 9.330 -9.966 1.00 0.00 S ATOM 866 CE MET A 57 16.536 10.621 -9.070 1.00 0.00 C ATOM 0 H MET A 57 13.692 6.122 -7.675 1.00 0.00 H new ATOM 0 HA MET A 57 16.241 7.611 -7.839 1.00 0.00 H new ATOM 0 HB2 MET A 57 13.526 8.686 -6.993 1.00 0.00 H new ATOM 0 HB3 MET A 57 15.028 9.586 -7.058 1.00 0.00 H new ATOM 0 HG2 MET A 57 13.532 8.407 -9.421 1.00 0.00 H new ATOM 0 HG3 MET A 57 13.627 10.103 -8.991 1.00 0.00 H new ATOM 0 HE1 MET A 57 17.326 11.034 -9.697 1.00 0.00 H new ATOM 0 HE2 MET A 57 15.833 11.411 -8.804 1.00 0.00 H new ATOM 0 HE3 MET A 57 16.974 10.204 -8.163 1.00 0.00 H new ATOM 876 N GLU A 58 16.646 6.880 -5.499 1.00 0.00 N ATOM 877 CA GLU A 58 16.914 6.555 -4.104 1.00 0.00 C ATOM 878 C GLU A 58 16.356 7.653 -3.212 1.00 0.00 C ATOM 879 O GLU A 58 16.201 7.484 -2.003 1.00 0.00 O ATOM 880 CB GLU A 58 18.418 6.405 -3.872 1.00 0.00 C ATOM 881 CG GLU A 58 19.216 7.659 -4.197 1.00 0.00 C ATOM 882 CD GLU A 58 20.702 7.490 -3.941 1.00 0.00 C ATOM 883 OE1 GLU A 58 21.111 6.391 -3.509 1.00 0.00 O ATOM 884 OE2 GLU A 58 21.457 8.458 -4.172 1.00 0.00 O ATOM 0 H GLU A 58 17.472 6.897 -6.098 1.00 0.00 H new ATOM 0 HA GLU A 58 16.431 5.609 -3.859 1.00 0.00 H new ATOM 0 HB2 GLU A 58 18.591 6.135 -2.830 1.00 0.00 H new ATOM 0 HB3 GLU A 58 18.790 5.581 -4.481 1.00 0.00 H new ATOM 0 HG2 GLU A 58 19.059 7.924 -5.243 1.00 0.00 H new ATOM 0 HG3 GLU A 58 18.840 8.489 -3.599 1.00 0.00 H new ATOM 891 N SER A 59 16.052 8.778 -3.844 1.00 0.00 N ATOM 892 CA SER A 59 15.499 9.937 -3.155 1.00 0.00 C ATOM 893 C SER A 59 13.976 9.857 -3.086 1.00 0.00 C ATOM 894 O SER A 59 13.372 10.213 -2.075 1.00 0.00 O ATOM 895 CB SER A 59 15.923 11.225 -3.862 1.00 0.00 C ATOM 896 OG SER A 59 15.480 11.238 -5.208 1.00 0.00 O ATOM 0 H SER A 59 16.181 8.914 -4.847 1.00 0.00 H new ATOM 0 HA SER A 59 15.889 9.943 -2.137 1.00 0.00 H new ATOM 0 HB2 SER A 59 15.514 12.086 -3.333 1.00 0.00 H new ATOM 0 HB3 SER A 59 17.009 11.319 -3.832 1.00 0.00 H new ATOM 0 HG SER A 59 15.762 12.073 -5.637 1.00 0.00 H new ATOM 902 N GLU A 60 13.362 9.387 -4.170 1.00 0.00 N ATOM 903 CA GLU A 60 11.914 9.260 -4.233 1.00 0.00 C ATOM 904 C GLU A 60 11.436 8.210 -3.243 1.00 0.00 C ATOM 905 O GLU A 60 10.348 8.323 -2.681 1.00 0.00 O ATOM 906 CB GLU A 60 11.471 8.884 -5.650 1.00 0.00 C ATOM 907 CG GLU A 60 9.961 8.813 -5.823 1.00 0.00 C ATOM 908 CD GLU A 60 9.283 10.160 -5.651 1.00 0.00 C ATOM 909 OE1 GLU A 60 9.994 11.166 -5.440 1.00 0.00 O ATOM 910 OE2 GLU A 60 8.037 10.210 -5.733 1.00 0.00 O ATOM 0 H GLU A 60 13.848 9.089 -5.015 1.00 0.00 H new ATOM 0 HA GLU A 60 11.471 10.221 -3.972 1.00 0.00 H new ATOM 0 HB2 GLU A 60 11.874 9.614 -6.352 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.903 7.918 -5.911 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.732 8.420 -6.814 1.00 0.00 H new ATOM 0 HG3 GLU A 60 9.550 8.110 -5.099 1.00 0.00 H new ATOM 917 N ILE A 61 12.265 7.191 -3.031 1.00 0.00 N ATOM 918 CA ILE A 61 11.938 6.116 -2.102 1.00 0.00 C ATOM 919 C ILE A 61 11.625 6.677 -0.716 1.00 0.00 C ATOM 920 O ILE A 61 10.916 6.053 0.071 1.00 0.00 O ATOM 921 CB ILE A 61 13.086 5.091 -1.995 1.00 0.00 C ATOM 922 CG1 ILE A 61 13.482 4.582 -3.386 1.00 0.00 C ATOM 923 CG2 ILE A 61 12.680 3.929 -1.099 1.00 0.00 C ATOM 924 CD1 ILE A 61 12.352 3.906 -4.137 1.00 0.00 C ATOM 0 H ILE A 61 13.169 7.088 -3.491 1.00 0.00 H new ATOM 0 HA ILE A 61 11.057 5.608 -2.494 1.00 0.00 H new ATOM 0 HB ILE A 61 13.949 5.585 -1.550 1.00 0.00 H new ATOM 0 HG12 ILE A 61 13.848 5.420 -3.978 1.00 0.00 H new ATOM 0 HG13 ILE A 61 14.309 3.879 -3.283 1.00 0.00 H new ATOM 0 HG21 ILE A 61 13.501 3.215 -1.034 1.00 0.00 H new ATOM 0 HG22 ILE A 61 12.445 4.303 -0.102 1.00 0.00 H new ATOM 0 HG23 ILE A 61 11.803 3.436 -1.518 1.00 0.00 H new ATOM 0 HD11 ILE A 61 12.710 3.574 -5.111 1.00 0.00 H new ATOM 0 HD12 ILE A 61 12.000 3.046 -3.567 1.00 0.00 H new ATOM 0 HD13 ILE A 61 11.532 4.612 -4.273 1.00 0.00 H new ATOM 936 N LYS A 62 12.147 7.869 -0.434 1.00 0.00 N ATOM 937 CA LYS A 62 11.910 8.533 0.846 1.00 0.00 C ATOM 938 C LYS A 62 10.489 9.050 0.883 1.00 0.00 C ATOM 939 O LYS A 62 9.667 8.590 1.674 1.00 0.00 O ATOM 940 CB LYS A 62 12.886 9.687 1.020 1.00 0.00 C ATOM 941 CG LYS A 62 14.300 9.298 0.662 1.00 0.00 C ATOM 942 CD LYS A 62 14.887 8.323 1.673 1.00 0.00 C ATOM 943 CE LYS A 62 15.025 8.958 3.048 1.00 0.00 C ATOM 944 NZ LYS A 62 15.892 10.168 3.017 1.00 0.00 N ATOM 0 H LYS A 62 12.738 8.396 -1.077 1.00 0.00 H new ATOM 0 HA LYS A 62 12.060 7.821 1.658 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.572 10.523 0.395 1.00 0.00 H new ATOM 0 HB3 LYS A 62 12.857 10.032 2.053 1.00 0.00 H new ATOM 0 HG2 LYS A 62 14.313 8.846 -0.330 1.00 0.00 H new ATOM 0 HG3 LYS A 62 14.922 10.191 0.614 1.00 0.00 H new ATOM 0 HD2 LYS A 62 14.250 7.441 1.741 1.00 0.00 H new ATOM 0 HD3 LYS A 62 15.864 7.985 1.328 1.00 0.00 H new ATOM 0 HE2 LYS A 62 14.038 9.228 3.424 1.00 0.00 H new ATOM 0 HE3 LYS A 62 15.443 8.230 3.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 16.182 10.412 3.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 16.736 9.976 2.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 15.364 10.963 2.603 1.00 0.00 H new ATOM 958 N ASP A 63 10.192 9.978 -0.021 1.00 0.00 N ATOM 959 CA ASP A 63 8.852 10.519 -0.134 1.00 0.00 C ATOM 960 C ASP A 63 7.894 9.361 -0.352 1.00 0.00 C ATOM 961 O ASP A 63 6.683 9.480 -0.174 1.00 0.00 O ATOM 962 CB ASP A 63 8.768 11.509 -1.299 1.00 0.00 C ATOM 963 CG ASP A 63 7.392 12.132 -1.439 1.00 0.00 C ATOM 964 OD1 ASP A 63 6.970 12.854 -0.512 1.00 0.00 O ATOM 965 OD2 ASP A 63 6.736 11.896 -2.475 1.00 0.00 O ATOM 0 H ASP A 63 10.863 10.367 -0.683 1.00 0.00 H new ATOM 0 HA ASP A 63 8.589 11.058 0.776 1.00 0.00 H new ATOM 0 HB2 ASP A 63 9.506 12.298 -1.154 1.00 0.00 H new ATOM 0 HB3 ASP A 63 9.026 10.996 -2.226 1.00 0.00 H new ATOM 970 N LEU A 64 8.473 8.226 -0.739 1.00 0.00 N ATOM 971 CA LEU A 64 7.709 7.015 -0.984 1.00 0.00 C ATOM 972 C LEU A 64 7.538 6.214 0.309 1.00 0.00 C ATOM 973 O LEU A 64 6.530 5.536 0.502 1.00 0.00 O ATOM 974 CB LEU A 64 8.415 6.156 -2.038 1.00 0.00 C ATOM 975 CG LEU A 64 7.613 4.953 -2.541 1.00 0.00 C ATOM 976 CD1 LEU A 64 6.332 5.409 -3.225 1.00 0.00 C ATOM 977 CD2 LEU A 64 8.455 4.111 -3.489 1.00 0.00 C ATOM 0 H LEU A 64 9.477 8.125 -0.889 1.00 0.00 H new ATOM 0 HA LEU A 64 6.722 7.297 -1.351 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.665 6.788 -2.890 1.00 0.00 H new ATOM 0 HB3 LEU A 64 9.356 5.797 -1.620 1.00 0.00 H new ATOM 0 HG LEU A 64 7.341 4.339 -1.683 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.777 4.539 -3.575 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.721 5.969 -2.517 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.580 6.047 -4.074 1.00 0.00 H new ATOM 0 HD21 LEU A 64 7.870 3.260 -3.837 1.00 0.00 H new ATOM 0 HD22 LEU A 64 8.757 4.717 -4.343 1.00 0.00 H new ATOM 0 HD23 LEU A 64 9.342 3.752 -2.967 1.00 0.00 H new ATOM 989 N MET A 65 8.546 6.281 1.180 1.00 0.00 N ATOM 990 CA MET A 65 8.526 5.547 2.443 1.00 0.00 C ATOM 991 C MET A 65 7.870 6.345 3.573 1.00 0.00 C ATOM 992 O MET A 65 6.794 5.983 4.049 1.00 0.00 O ATOM 993 CB MET A 65 9.955 5.163 2.844 1.00 0.00 C ATOM 994 CG MET A 65 10.034 4.051 3.882 1.00 0.00 C ATOM 995 SD MET A 65 9.393 4.533 5.497 1.00 0.00 S ATOM 996 CE MET A 65 10.520 5.855 5.930 1.00 0.00 C ATOM 0 H MET A 65 9.388 6.838 1.032 1.00 0.00 H new ATOM 0 HA MET A 65 7.926 4.650 2.286 1.00 0.00 H new ATOM 0 HB2 MET A 65 10.500 4.852 1.952 1.00 0.00 H new ATOM 0 HB3 MET A 65 10.461 6.046 3.235 1.00 0.00 H new ATOM 0 HG2 MET A 65 9.476 3.187 3.521 1.00 0.00 H new ATOM 0 HG3 MET A 65 11.072 3.738 3.990 1.00 0.00 H new ATOM 0 HE1 MET A 65 10.170 6.350 6.836 1.00 0.00 H new ATOM 0 HE2 MET A 65 11.514 5.443 6.103 1.00 0.00 H new ATOM 0 HE3 MET A 65 10.563 6.578 5.115 1.00 0.00 H new ATOM 1006 N ASP A 66 8.536 7.410 4.025 1.00 0.00 N ATOM 1007 CA ASP A 66 8.013 8.217 5.130 1.00 0.00 C ATOM 1008 C ASP A 66 6.786 9.033 4.731 1.00 0.00 C ATOM 1009 O ASP A 66 5.745 8.948 5.383 1.00 0.00 O ATOM 1010 CB ASP A 66 9.095 9.143 5.699 1.00 0.00 C ATOM 1011 CG ASP A 66 9.695 10.069 4.660 1.00 0.00 C ATOM 1012 OD1 ASP A 66 10.423 9.577 3.776 1.00 0.00 O ATOM 1013 OD2 ASP A 66 9.434 11.289 4.731 1.00 0.00 O ATOM 0 H ASP A 66 9.428 7.731 3.648 1.00 0.00 H new ATOM 0 HA ASP A 66 7.703 7.513 5.902 1.00 0.00 H new ATOM 0 HB2 ASP A 66 8.667 9.740 6.504 1.00 0.00 H new ATOM 0 HB3 ASP A 66 9.888 8.538 6.138 1.00 0.00 H new ATOM 1018 N ALA A 67 6.909 9.834 3.677 1.00 0.00 N ATOM 1019 CA ALA A 67 5.798 10.668 3.224 1.00 0.00 C ATOM 1020 C ALA A 67 4.517 9.855 3.058 1.00 0.00 C ATOM 1021 O ALA A 67 3.447 10.274 3.500 1.00 0.00 O ATOM 1022 CB ALA A 67 6.154 11.373 1.926 1.00 0.00 C ATOM 0 H ALA A 67 7.761 9.924 3.123 1.00 0.00 H new ATOM 0 HA ALA A 67 5.615 11.420 3.992 1.00 0.00 H new ATOM 0 HB1 ALA A 67 5.314 11.989 1.605 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.028 12.005 2.083 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.375 10.632 1.158 1.00 0.00 H new ATOM 1028 N ALA A 68 4.630 8.690 2.427 1.00 0.00 N ATOM 1029 CA ALA A 68 3.473 7.825 2.218 1.00 0.00 C ATOM 1030 C ALA A 68 2.933 7.315 3.550 1.00 0.00 C ATOM 1031 O ALA A 68 1.797 7.606 3.924 1.00 0.00 O ATOM 1032 CB ALA A 68 3.839 6.661 1.311 1.00 0.00 C ATOM 0 H ALA A 68 5.506 8.324 2.053 1.00 0.00 H new ATOM 0 HA ALA A 68 2.690 8.410 1.734 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.966 6.025 1.165 1.00 0.00 H new ATOM 0 HB2 ALA A 68 4.175 7.043 0.347 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.638 6.079 1.770 1.00 0.00 H new ATOM 1038 N ASP A 69 3.762 6.562 4.268 1.00 0.00 N ATOM 1039 CA ASP A 69 3.377 6.020 5.566 1.00 0.00 C ATOM 1040 C ASP A 69 3.203 7.141 6.586 1.00 0.00 C ATOM 1041 O ASP A 69 4.177 7.714 7.074 1.00 0.00 O ATOM 1042 CB ASP A 69 4.422 5.010 6.043 1.00 0.00 C ATOM 1043 CG ASP A 69 4.273 4.659 7.511 1.00 0.00 C ATOM 1044 OD1 ASP A 69 3.208 4.136 7.893 1.00 0.00 O ATOM 1045 OD2 ASP A 69 5.226 4.909 8.279 1.00 0.00 O ATOM 0 H ASP A 69 4.706 6.314 3.972 1.00 0.00 H new ATOM 0 HA ASP A 69 2.420 5.508 5.462 1.00 0.00 H new ATOM 0 HB2 ASP A 69 4.341 4.101 5.447 1.00 0.00 H new ATOM 0 HB3 ASP A 69 5.419 5.416 5.871 1.00 0.00 H new ATOM 1050 N ILE A 70 1.948 7.450 6.893 1.00 0.00 N ATOM 1051 CA ILE A 70 1.616 8.505 7.842 1.00 0.00 C ATOM 1052 C ILE A 70 1.675 7.987 9.272 1.00 0.00 C ATOM 1053 O ILE A 70 1.736 8.763 10.226 1.00 0.00 O ATOM 1054 CB ILE A 70 0.210 9.076 7.563 1.00 0.00 C ATOM 1055 CG1 ILE A 70 -0.078 10.283 8.462 1.00 0.00 C ATOM 1056 CG2 ILE A 70 -0.848 8.001 7.758 1.00 0.00 C ATOM 1057 CD1 ILE A 70 0.864 11.447 8.239 1.00 0.00 C ATOM 0 H ILE A 70 1.136 6.979 6.493 1.00 0.00 H new ATOM 0 HA ILE A 70 2.353 9.299 7.719 1.00 0.00 H new ATOM 0 HB ILE A 70 0.178 9.411 6.526 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.101 10.617 8.290 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.016 9.971 9.505 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.834 8.420 7.557 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -0.658 7.175 7.072 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.811 7.636 8.784 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.599 12.264 8.910 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.888 11.130 8.440 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.785 11.786 7.206 1.00 0.00 H new ATOM 1069 N ASP A 71 1.661 6.667 9.410 1.00 0.00 N ATOM 1070 CA ASP A 71 1.715 6.035 10.721 1.00 0.00 C ATOM 1071 C ASP A 71 3.033 6.366 11.416 1.00 0.00 C ATOM 1072 O ASP A 71 3.236 6.013 12.577 1.00 0.00 O ATOM 1073 CB ASP A 71 1.561 4.519 10.576 1.00 0.00 C ATOM 1074 CG ASP A 71 1.382 3.811 11.907 1.00 0.00 C ATOM 1075 OD1 ASP A 71 1.253 4.501 12.940 1.00 0.00 O ATOM 1076 OD2 ASP A 71 1.356 2.562 11.912 1.00 0.00 O ATOM 0 H ASP A 71 1.613 6.013 8.629 1.00 0.00 H new ATOM 0 HA ASP A 71 0.896 6.418 11.330 1.00 0.00 H new ATOM 0 HB2 ASP A 71 0.703 4.306 9.939 1.00 0.00 H new ATOM 0 HB3 ASP A 71 2.440 4.117 10.072 1.00 0.00 H new ATOM 1081 N LYS A 72 3.925 7.044 10.685 1.00 0.00 N ATOM 1082 CA LYS A 72 5.240 7.434 11.200 1.00 0.00 C ATOM 1083 C LYS A 72 5.870 6.316 12.021 1.00 0.00 C ATOM 1084 O LYS A 72 6.689 6.561 12.907 1.00 0.00 O ATOM 1085 CB LYS A 72 5.153 8.741 12.011 1.00 0.00 C ATOM 1086 CG LYS A 72 4.119 8.742 13.134 1.00 0.00 C ATOM 1087 CD LYS A 72 4.587 7.961 14.356 1.00 0.00 C ATOM 1088 CE LYS A 72 5.810 8.598 14.998 1.00 0.00 C ATOM 1089 NZ LYS A 72 6.276 7.831 16.187 1.00 0.00 N ATOM 0 H LYS A 72 3.755 7.337 9.723 1.00 0.00 H new ATOM 0 HA LYS A 72 5.889 7.616 10.343 1.00 0.00 H new ATOM 0 HB2 LYS A 72 6.133 8.949 12.441 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.925 9.559 11.328 1.00 0.00 H new ATOM 0 HG2 LYS A 72 3.903 9.770 13.424 1.00 0.00 H new ATOM 0 HG3 LYS A 72 3.187 8.312 12.767 1.00 0.00 H new ATOM 0 HD2 LYS A 72 3.779 7.909 15.086 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.821 6.937 14.065 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.615 8.657 14.266 1.00 0.00 H new ATOM 0 HE3 LYS A 72 5.574 9.620 15.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 7.111 8.297 16.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 5.517 7.796 16.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 6.526 6.863 15.900 1.00 0.00 H new ATOM 1103 N SER A 73 5.485 5.083 11.712 1.00 0.00 N ATOM 1104 CA SER A 73 6.009 3.920 12.416 1.00 0.00 C ATOM 1105 C SER A 73 7.296 3.426 11.766 1.00 0.00 C ATOM 1106 O SER A 73 7.870 2.422 12.187 1.00 0.00 O ATOM 1107 CB SER A 73 4.969 2.798 12.436 1.00 0.00 C ATOM 1108 OG SER A 73 4.614 2.406 11.120 1.00 0.00 O ATOM 0 H SER A 73 4.811 4.864 10.978 1.00 0.00 H new ATOM 0 HA SER A 73 6.232 4.216 13.441 1.00 0.00 H new ATOM 0 HB2 SER A 73 5.365 1.940 12.980 1.00 0.00 H new ATOM 0 HB3 SER A 73 4.080 3.132 12.971 1.00 0.00 H new ATOM 0 HG SER A 73 3.949 1.687 11.161 1.00 0.00 H new ATOM 1114 N GLY A 74 7.738 4.134 10.732 1.00 0.00 N ATOM 1115 CA GLY A 74 8.950 3.747 10.033 1.00 0.00 C ATOM 1116 C GLY A 74 8.714 2.575 9.106 1.00 0.00 C ATOM 1117 O GLY A 74 9.560 2.245 8.275 1.00 0.00 O ATOM 0 H GLY A 74 7.279 4.968 10.366 1.00 0.00 H new ATOM 0 HA2 GLY A 74 9.325 4.594 9.459 1.00 0.00 H new ATOM 0 HA3 GLY A 74 9.721 3.487 10.759 1.00 0.00 H new ATOM 1121 N THR A 75 7.552 1.950 9.252 1.00 0.00 N ATOM 1122 CA THR A 75 7.179 0.811 8.430 1.00 0.00 C ATOM 1123 C THR A 75 5.939 1.134 7.608 1.00 0.00 C ATOM 1124 O THR A 75 4.968 1.687 8.126 1.00 0.00 O ATOM 1125 CB THR A 75 6.919 -0.411 9.310 1.00 0.00 C ATOM 1126 OG1 THR A 75 8.097 -0.800 9.993 1.00 0.00 O ATOM 1127 CG2 THR A 75 6.418 -1.608 8.534 1.00 0.00 C ATOM 0 H THR A 75 6.848 2.218 9.939 1.00 0.00 H new ATOM 0 HA THR A 75 8.002 0.589 7.750 1.00 0.00 H new ATOM 0 HB THR A 75 6.144 -0.103 10.011 1.00 0.00 H new ATOM 0 HG1 THR A 75 7.908 -1.583 10.552 1.00 0.00 H new ATOM 0 HG21 THR A 75 6.253 -2.441 9.217 1.00 0.00 H new ATOM 0 HG22 THR A 75 5.481 -1.354 8.038 1.00 0.00 H new ATOM 0 HG23 THR A 75 7.158 -1.893 7.786 1.00 0.00 H new ATOM 1135 N ILE A 76 5.975 0.791 6.325 1.00 0.00 N ATOM 1136 CA ILE A 76 4.852 1.054 5.443 1.00 0.00 C ATOM 1137 C ILE A 76 3.992 -0.192 5.258 1.00 0.00 C ATOM 1138 O ILE A 76 4.500 -1.282 4.979 1.00 0.00 O ATOM 1139 CB ILE A 76 5.325 1.571 4.069 1.00 0.00 C ATOM 1140 CG1 ILE A 76 4.123 1.880 3.174 1.00 0.00 C ATOM 1141 CG2 ILE A 76 6.247 0.558 3.407 1.00 0.00 C ATOM 1142 CD1 ILE A 76 4.499 2.507 1.849 1.00 0.00 C ATOM 0 H ILE A 76 6.768 0.332 5.877 1.00 0.00 H new ATOM 0 HA ILE A 76 4.249 1.829 5.916 1.00 0.00 H new ATOM 0 HB ILE A 76 5.886 2.493 4.218 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.573 0.957 2.987 1.00 0.00 H new ATOM 0 HG13 ILE A 76 3.448 2.551 3.705 1.00 0.00 H new ATOM 0 HG21 ILE A 76 6.571 0.939 2.439 1.00 0.00 H new ATOM 0 HG22 ILE A 76 7.118 0.390 4.041 1.00 0.00 H new ATOM 0 HG23 ILE A 76 5.714 -0.382 3.267 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.597 2.698 1.268 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.022 3.447 2.027 1.00 0.00 H new ATOM 0 HD13 ILE A 76 5.149 1.828 1.297 1.00 0.00 H new ATOM 1154 N ASP A 77 2.686 -0.018 5.424 1.00 0.00 N ATOM 1155 CA ASP A 77 1.737 -1.115 5.281 1.00 0.00 C ATOM 1156 C ASP A 77 0.769 -0.823 4.138 1.00 0.00 C ATOM 1157 O ASP A 77 0.588 0.332 3.752 1.00 0.00 O ATOM 1158 CB ASP A 77 0.974 -1.319 6.595 1.00 0.00 C ATOM 1159 CG ASP A 77 0.096 -2.557 6.586 1.00 0.00 C ATOM 1160 OD1 ASP A 77 -0.875 -2.595 5.803 1.00 0.00 O ATOM 1161 OD2 ASP A 77 0.381 -3.490 7.366 1.00 0.00 O ATOM 0 H ASP A 77 2.259 0.878 5.659 1.00 0.00 H new ATOM 0 HA ASP A 77 2.280 -2.031 5.048 1.00 0.00 H new ATOM 0 HB2 ASP A 77 1.688 -1.393 7.415 1.00 0.00 H new ATOM 0 HB3 ASP A 77 0.355 -0.443 6.789 1.00 0.00 H new ATOM 1166 N TYR A 78 0.159 -1.871 3.591 1.00 0.00 N ATOM 1167 CA TYR A 78 -0.780 -1.718 2.482 1.00 0.00 C ATOM 1168 C TYR A 78 -1.861 -0.691 2.817 1.00 0.00 C ATOM 1169 O TYR A 78 -2.435 -0.067 1.925 1.00 0.00 O ATOM 1170 CB TYR A 78 -1.433 -3.062 2.141 1.00 0.00 C ATOM 1171 CG TYR A 78 -2.065 -3.097 0.765 1.00 0.00 C ATOM 1172 CD1 TYR A 78 -1.362 -2.665 -0.353 1.00 0.00 C ATOM 1173 CD2 TYR A 78 -3.359 -3.567 0.584 1.00 0.00 C ATOM 1174 CE1 TYR A 78 -1.931 -2.697 -1.612 1.00 0.00 C ATOM 1175 CE2 TYR A 78 -3.935 -3.603 -0.673 1.00 0.00 C ATOM 1176 CZ TYR A 78 -3.217 -3.167 -1.766 1.00 0.00 C ATOM 1177 OH TYR A 78 -3.786 -3.201 -3.019 1.00 0.00 O ATOM 0 H TYR A 78 0.297 -2.834 3.897 1.00 0.00 H new ATOM 0 HA TYR A 78 -0.219 -1.364 1.617 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -0.681 -3.849 2.207 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -2.195 -3.286 2.888 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -0.353 -2.298 -0.236 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -3.924 -3.910 1.438 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -1.371 -2.356 -2.470 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -4.943 -3.971 -0.798 1.00 0.00 H new ATOM 0 HH TYR A 78 -4.696 -3.560 -2.956 1.00 0.00 H new ATOM 1187 N GLY A 79 -2.132 -0.525 4.110 1.00 0.00 N ATOM 1188 CA GLY A 79 -3.142 0.422 4.545 1.00 0.00 C ATOM 1189 C GLY A 79 -2.653 1.858 4.512 1.00 0.00 C ATOM 1190 O GLY A 79 -3.439 2.779 4.288 1.00 0.00 O ATOM 0 H GLY A 79 -1.668 -1.031 4.864 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -4.021 0.327 3.908 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -3.455 0.173 5.559 1.00 0.00 H new ATOM 1194 N GLU A 80 -1.356 2.051 4.735 1.00 0.00 N ATOM 1195 CA GLU A 80 -0.772 3.388 4.727 1.00 0.00 C ATOM 1196 C GLU A 80 -1.041 4.084 3.400 1.00 0.00 C ATOM 1197 O GLU A 80 -1.472 5.237 3.372 1.00 0.00 O ATOM 1198 CB GLU A 80 0.733 3.319 4.989 1.00 0.00 C ATOM 1199 CG GLU A 80 1.087 2.688 6.325 1.00 0.00 C ATOM 1200 CD GLU A 80 0.428 3.392 7.495 1.00 0.00 C ATOM 1201 OE1 GLU A 80 0.624 4.617 7.637 1.00 0.00 O ATOM 1202 OE2 GLU A 80 -0.281 2.717 8.271 1.00 0.00 O ATOM 0 H GLU A 80 -0.691 1.301 4.923 1.00 0.00 H new ATOM 0 HA GLU A 80 -1.239 3.967 5.524 1.00 0.00 H new ATOM 0 HB2 GLU A 80 1.207 2.749 4.190 1.00 0.00 H new ATOM 0 HB3 GLU A 80 1.147 4.327 4.951 1.00 0.00 H new ATOM 0 HG2 GLU A 80 0.785 1.641 6.319 1.00 0.00 H new ATOM 0 HG3 GLU A 80 2.169 2.707 6.457 1.00 0.00 H new ATOM 1209 N PHE A 81 -0.788 3.371 2.304 1.00 0.00 N ATOM 1210 CA PHE A 81 -1.012 3.910 0.962 1.00 0.00 C ATOM 1211 C PHE A 81 -2.343 4.654 0.894 1.00 0.00 C ATOM 1212 O PHE A 81 -2.442 5.719 0.284 1.00 0.00 O ATOM 1213 CB PHE A 81 -1.010 2.791 -0.088 1.00 0.00 C ATOM 1214 CG PHE A 81 0.307 2.080 -0.248 1.00 0.00 C ATOM 1215 CD1 PHE A 81 0.771 1.207 0.725 1.00 0.00 C ATOM 1216 CD2 PHE A 81 1.081 2.288 -1.378 1.00 0.00 C ATOM 1217 CE1 PHE A 81 1.979 0.555 0.571 1.00 0.00 C ATOM 1218 CE2 PHE A 81 2.291 1.639 -1.537 1.00 0.00 C ATOM 1219 CZ PHE A 81 2.740 0.771 -0.561 1.00 0.00 C ATOM 0 H PHE A 81 -0.427 2.417 2.318 1.00 0.00 H new ATOM 0 HA PHE A 81 -0.198 4.602 0.748 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -1.772 2.059 0.180 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -1.298 3.214 -1.050 1.00 0.00 H new ATOM 0 HD1 PHE A 81 0.181 1.035 1.613 1.00 0.00 H new ATOM 0 HD2 PHE A 81 0.735 2.966 -2.144 1.00 0.00 H new ATOM 0 HE1 PHE A 81 2.328 -0.123 1.335 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.884 1.810 -2.423 1.00 0.00 H new ATOM 0 HZ PHE A 81 3.685 0.262 -0.683 1.00 0.00 H new ATOM 1229 N ILE A 82 -3.364 4.079 1.524 1.00 0.00 N ATOM 1230 CA ILE A 82 -4.696 4.674 1.539 1.00 0.00 C ATOM 1231 C ILE A 82 -4.775 5.825 2.538 1.00 0.00 C ATOM 1232 O ILE A 82 -5.420 6.841 2.278 1.00 0.00 O ATOM 1233 CB ILE A 82 -5.769 3.626 1.898 1.00 0.00 C ATOM 1234 CG1 ILE A 82 -5.699 2.436 0.935 1.00 0.00 C ATOM 1235 CG2 ILE A 82 -7.157 4.252 1.879 1.00 0.00 C ATOM 1236 CD1 ILE A 82 -5.936 2.804 -0.515 1.00 0.00 C ATOM 0 H ILE A 82 -3.293 3.198 2.033 1.00 0.00 H new ATOM 0 HA ILE A 82 -4.885 5.055 0.536 1.00 0.00 H new ATOM 0 HB ILE A 82 -5.573 3.263 2.907 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -4.720 1.966 1.025 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -6.438 1.693 1.236 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -7.900 3.497 2.135 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -7.200 5.064 2.605 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -7.366 4.644 0.884 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -5.870 1.909 -1.133 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -6.927 3.246 -0.621 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -5.182 3.523 -0.836 1.00 0.00 H new