USER MOD reduce.3.24.130724 H: found=0, std=0, add=357, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 356 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 51 SER OG : rot -35:sc= 0.391 USER MOD Set 1.2: A 56 LYS NZ :NH3+ 161:sc= 0.44 (180deg=-0.0477) USER MOD Single : A 27 MET CE :methyl -156:sc= 0 (180deg=-0.461) USER MOD Single : A 31 ASN : amide:sc= -1.3 K(o=-1.3,f=-7.4!) USER MOD Single : A 33 HIS : no HD1:sc=-0.00135 X(o=-0.0013,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.0732 K(o=-0.073,f=-4.3!) USER MOD Single : A 58 SER OG : rot 180:sc=-0.00628 USER MOD ----------------------------------------------------------------- ATOM 272 N PRO A 21 30.447 28.902 -7.481 1.00 25.00 N ATOM 273 CA PRO A 21 30.429 29.311 -6.074 1.00 25.00 C ATOM 274 C PRO A 21 30.773 30.778 -5.873 1.00 25.00 C ATOM 275 O PRO A 21 30.330 31.387 -4.914 1.00 25.00 O ATOM 276 CB PRO A 21 31.510 28.427 -5.440 1.00 25.00 C ATOM 277 CG PRO A 21 32.355 28.017 -6.560 1.00 25.00 C ATOM 278 CD PRO A 21 31.455 27.857 -7.716 1.00 25.00 C ATOM 0 HA PRO A 21 29.437 29.196 -5.638 1.00 25.00 H new ATOM 0 HB2 PRO A 21 32.082 28.976 -4.692 1.00 25.00 H new ATOM 0 HB3 PRO A 21 31.072 27.565 -4.937 1.00 25.00 H new ATOM 0 HG2 PRO A 21 33.121 28.765 -6.764 1.00 25.00 H new ATOM 0 HG3 PRO A 21 32.872 27.084 -6.337 1.00 25.00 H new ATOM 0 HD2 PRO A 21 31.978 28.003 -8.661 1.00 25.00 H new ATOM 0 HD3 PRO A 21 31.009 26.863 -7.749 1.00 25.00 H new ATOM 286 N ALA A 22 31.550 31.355 -6.781 1.00 25.00 N ATOM 287 CA ALA A 22 31.929 32.759 -6.672 1.00 25.00 C ATOM 288 C ALA A 22 30.687 33.646 -6.726 1.00 25.00 C ATOM 289 O ALA A 22 30.525 34.558 -5.912 1.00 25.00 O ATOM 290 CB ALA A 22 32.903 33.121 -7.799 1.00 25.00 C ATOM 0 H ALA A 22 31.929 30.876 -7.598 1.00 25.00 H new ATOM 0 HA ALA A 22 32.424 32.924 -5.715 1.00 25.00 H new ATOM 0 HB1 ALA A 22 33.184 34.171 -7.714 1.00 25.00 H new ATOM 0 HB2 ALA A 22 33.795 32.499 -7.723 1.00 25.00 H new ATOM 0 HB3 ALA A 22 32.424 32.951 -8.763 1.00 25.00 H new ATOM 296 N LEU A 23 29.812 33.353 -7.676 1.00 25.00 N ATOM 297 CA LEU A 23 28.595 34.134 -7.875 1.00 25.00 C ATOM 298 C LEU A 23 27.597 33.864 -6.764 1.00 25.00 C ATOM 299 O LEU A 23 26.923 34.771 -6.292 1.00 25.00 O ATOM 300 CB LEU A 23 27.945 33.778 -9.216 1.00 25.00 C ATOM 301 CG LEU A 23 28.816 33.899 -10.478 1.00 25.00 C ATOM 302 CD1 LEU A 23 27.995 33.448 -11.674 1.00 25.00 C ATOM 303 CD2 LEU A 23 29.336 35.304 -10.723 1.00 25.00 C ATOM 0 H LEU A 23 29.921 32.575 -8.327 1.00 25.00 H new ATOM 0 HA LEU A 23 28.872 35.188 -7.867 1.00 25.00 H new ATOM 0 HB2 LEU A 23 27.583 32.752 -9.153 1.00 25.00 H new ATOM 0 HB3 LEU A 23 27.071 34.416 -9.347 1.00 25.00 H new ATOM 0 HG LEU A 23 29.693 33.268 -10.331 1.00 25.00 H new ATOM 0 HD11 LEU A 23 28.597 33.527 -12.579 1.00 25.00 H new ATOM 0 HD12 LEU A 23 27.686 32.412 -11.533 1.00 25.00 H new ATOM 0 HD13 LEU A 23 27.112 34.081 -11.769 1.00 25.00 H new ATOM 0 HD21 LEU A 23 29.942 35.315 -11.629 1.00 25.00 H new ATOM 0 HD22 LEU A 23 28.495 35.988 -10.841 1.00 25.00 H new ATOM 0 HD23 LEU A 23 29.945 35.620 -9.876 1.00 25.00 H new ATOM 315 N LEU A 24 27.502 32.611 -6.344 1.00 25.00 N ATOM 316 CA LEU A 24 26.562 32.247 -5.293 1.00 25.00 C ATOM 317 C LEU A 24 26.954 32.901 -3.978 1.00 25.00 C ATOM 318 O LEU A 24 26.108 33.430 -3.269 1.00 25.00 O ATOM 319 CB LEU A 24 26.515 30.729 -5.121 1.00 25.00 C ATOM 320 CG LEU A 24 25.560 30.254 -4.014 1.00 25.00 C ATOM 321 CD1 LEU A 24 24.131 30.740 -4.220 1.00 25.00 C ATOM 322 CD2 LEU A 24 25.602 28.755 -3.922 1.00 25.00 C ATOM 0 H LEU A 24 28.057 31.837 -6.709 1.00 25.00 H new ATOM 0 HA LEU A 24 25.573 32.602 -5.583 1.00 25.00 H new ATOM 0 HB2 LEU A 24 26.214 30.276 -6.065 1.00 25.00 H new ATOM 0 HB3 LEU A 24 27.519 30.367 -4.900 1.00 25.00 H new ATOM 0 HG LEU A 24 25.901 30.691 -3.076 1.00 25.00 H new ATOM 0 HD11 LEU A 24 23.502 30.374 -3.409 1.00 25.00 H new ATOM 0 HD12 LEU A 24 24.115 31.830 -4.229 1.00 25.00 H new ATOM 0 HD13 LEU A 24 23.752 30.364 -5.170 1.00 25.00 H new ATOM 0 HD21 LEU A 24 24.925 28.420 -3.137 1.00 25.00 H new ATOM 0 HD22 LEU A 24 25.295 28.323 -4.875 1.00 25.00 H new ATOM 0 HD23 LEU A 24 26.617 28.433 -3.688 1.00 25.00 H new ATOM 334 N ARG A 25 28.244 32.900 -3.673 1.00 25.00 N ATOM 335 CA ARG A 25 28.756 33.543 -2.467 1.00 25.00 C ATOM 336 C ARG A 25 28.370 35.011 -2.504 1.00 25.00 C ATOM 337 O ARG A 25 27.924 35.566 -1.515 1.00 25.00 O ATOM 338 CB ARG A 25 30.282 33.386 -2.429 1.00 25.00 C ATOM 339 CG ARG A 25 31.007 34.157 -1.321 1.00 25.00 C ATOM 340 CD ARG A 25 32.362 34.660 -1.807 1.00 25.00 C ATOM 341 NE ARG A 25 32.203 35.572 -2.955 1.00 25.00 N ATOM 342 CZ ARG A 25 33.109 36.434 -3.396 1.00 25.00 C ATOM 343 NH1 ARG A 25 34.288 36.556 -2.837 1.00 25.00 N ATOM 344 NH2 ARG A 25 32.820 37.194 -4.414 1.00 25.00 N ATOM 0 H ARG A 25 28.961 32.458 -4.248 1.00 25.00 H new ATOM 0 HA ARG A 25 28.334 33.084 -1.573 1.00 25.00 H new ATOM 0 HB2 ARG A 25 30.516 32.327 -2.321 1.00 25.00 H new ATOM 0 HB3 ARG A 25 30.685 33.705 -3.390 1.00 25.00 H new ATOM 0 HG2 ARG A 25 30.396 35.000 -0.999 1.00 25.00 H new ATOM 0 HG3 ARG A 25 31.144 33.512 -0.453 1.00 25.00 H new ATOM 0 HD2 ARG A 25 32.875 35.176 -0.996 1.00 25.00 H new ATOM 0 HD3 ARG A 25 32.987 33.814 -2.093 1.00 25.00 H new ATOM 0 HE ARG A 25 31.315 35.536 -3.456 1.00 25.00 H new ATOM 0 HH11 ARG A 25 34.534 35.976 -2.035 1.00 25.00 H new ATOM 0 HH12 ARG A 25 34.959 37.230 -3.204 1.00 25.00 H new ATOM 0 HH21 ARG A 25 31.906 37.122 -4.861 1.00 25.00 H new ATOM 0 HH22 ARG A 25 33.508 37.861 -4.764 1.00 25.00 H new ATOM 358 N ASP A 26 28.534 35.628 -3.660 1.00 25.00 N ATOM 359 CA ASP A 26 28.232 37.046 -3.824 1.00 25.00 C ATOM 360 C ASP A 26 26.742 37.337 -3.599 1.00 25.00 C ATOM 361 O ASP A 26 26.381 38.235 -2.841 1.00 25.00 O ATOM 362 CB ASP A 26 28.656 37.479 -5.224 1.00 25.00 C ATOM 363 CG ASP A 26 29.269 38.856 -5.239 1.00 25.00 C ATOM 364 OD1 ASP A 26 28.545 39.853 -5.407 1.00 25.00 O ATOM 365 OD2 ASP A 26 30.512 38.929 -5.089 1.00 25.00 O ATOM 0 H ASP A 26 28.876 35.171 -4.505 1.00 25.00 H new ATOM 0 HA ASP A 26 28.785 37.613 -3.075 1.00 25.00 H new ATOM 0 HB2 ASP A 26 29.373 36.761 -5.622 1.00 25.00 H new ATOM 0 HB3 ASP A 26 27.789 37.463 -5.884 1.00 25.00 H new ATOM 370 N MET A 27 25.882 36.527 -4.207 1.00 25.00 N ATOM 371 CA MET A 27 24.433 36.672 -4.042 1.00 25.00 C ATOM 372 C MET A 27 24.029 36.479 -2.593 1.00 25.00 C ATOM 373 O MET A 27 23.202 37.210 -2.072 1.00 25.00 O ATOM 374 CB MET A 27 23.698 35.628 -4.883 1.00 25.00 C ATOM 375 CG MET A 27 22.184 35.803 -4.883 1.00 25.00 C ATOM 376 SD MET A 27 21.338 34.466 -5.751 1.00 25.00 S ATOM 377 CE MET A 27 21.294 33.165 -4.457 1.00 25.00 C ATOM 0 H MET A 27 26.160 35.761 -4.820 1.00 25.00 H new ATOM 0 HA MET A 27 24.166 37.678 -4.366 1.00 25.00 H new ATOM 0 HB2 MET A 27 24.062 35.678 -5.909 1.00 25.00 H new ATOM 0 HB3 MET A 27 23.941 34.634 -4.507 1.00 25.00 H new ATOM 0 HG2 MET A 27 21.826 35.849 -3.854 1.00 25.00 H new ATOM 0 HG3 MET A 27 21.931 36.754 -5.351 1.00 25.00 H new ATOM 0 HE1 MET A 27 21.209 32.186 -4.928 1.00 25.00 H new ATOM 0 HE2 MET A 27 22.210 33.206 -3.868 1.00 25.00 H new ATOM 0 HE3 MET A 27 20.436 33.329 -3.805 1.00 25.00 H new ATOM 387 N LEU A 28 24.607 35.479 -1.949 1.00 25.00 N ATOM 388 CA LEU A 28 24.281 35.165 -0.567 1.00 25.00 C ATOM 389 C LEU A 28 24.669 36.296 0.361 1.00 25.00 C ATOM 390 O LEU A 28 23.913 36.661 1.248 1.00 25.00 O ATOM 391 CB LEU A 28 25.010 33.915 -0.140 1.00 25.00 C ATOM 392 CG LEU A 28 24.272 32.628 -0.493 1.00 25.00 C ATOM 393 CD1 LEU A 28 25.257 31.516 -0.462 1.00 25.00 C ATOM 394 CD2 LEU A 28 23.151 32.368 0.497 1.00 25.00 C ATOM 0 H LEU A 28 25.309 34.867 -2.364 1.00 25.00 H new ATOM 0 HA LEU A 28 23.203 35.014 -0.506 1.00 25.00 H new ATOM 0 HB2 LEU A 28 25.994 33.900 -0.609 1.00 25.00 H new ATOM 0 HB3 LEU A 28 25.171 33.948 0.938 1.00 25.00 H new ATOM 0 HG LEU A 28 23.825 32.711 -1.484 1.00 25.00 H new ATOM 0 HD11 LEU A 28 24.757 30.580 -0.711 1.00 25.00 H new ATOM 0 HD12 LEU A 28 26.047 31.710 -1.187 1.00 25.00 H new ATOM 0 HD13 LEU A 28 25.690 31.442 0.535 1.00 25.00 H new ATOM 0 HD21 LEU A 28 22.636 31.446 0.229 1.00 25.00 H new ATOM 0 HD22 LEU A 28 23.566 32.273 1.500 1.00 25.00 H new ATOM 0 HD23 LEU A 28 22.445 33.198 0.473 1.00 25.00 H new ATOM 406 N LEU A 29 25.842 36.864 0.139 1.00 25.00 N ATOM 407 CA LEU A 29 26.320 37.976 0.968 1.00 25.00 C ATOM 408 C LEU A 29 25.389 39.177 0.821 1.00 25.00 C ATOM 409 O LEU A 29 25.144 39.907 1.779 1.00 25.00 O ATOM 410 CB LEU A 29 27.743 38.380 0.559 1.00 25.00 C ATOM 411 CG LEU A 29 28.867 37.419 0.985 1.00 25.00 C ATOM 412 CD1 LEU A 29 30.142 37.735 0.204 1.00 25.00 C ATOM 413 CD2 LEU A 29 29.142 37.501 2.490 1.00 25.00 C ATOM 0 H LEU A 29 26.483 36.581 -0.602 1.00 25.00 H new ATOM 0 HA LEU A 29 26.329 37.649 2.008 1.00 25.00 H new ATOM 0 HB2 LEU A 29 27.772 38.483 -0.526 1.00 25.00 H new ATOM 0 HB3 LEU A 29 27.955 39.363 0.979 1.00 25.00 H new ATOM 0 HG LEU A 29 28.542 36.403 0.762 1.00 25.00 H new ATOM 0 HD11 LEU A 29 30.935 37.052 0.509 1.00 25.00 H new ATOM 0 HD12 LEU A 29 29.953 37.618 -0.863 1.00 25.00 H new ATOM 0 HD13 LEU A 29 30.449 38.761 0.408 1.00 25.00 H new ATOM 0 HD21 LEU A 29 29.942 36.808 2.752 1.00 25.00 H new ATOM 0 HD22 LEU A 29 29.442 38.516 2.750 1.00 25.00 H new ATOM 0 HD23 LEU A 29 28.239 37.237 3.040 1.00 25.00 H new ATOM 425 N ALA A 30 24.858 39.356 -0.378 1.00 25.00 N ATOM 426 CA ALA A 30 23.942 40.451 -0.666 1.00 25.00 C ATOM 427 C ALA A 30 22.491 40.155 -0.243 1.00 25.00 C ATOM 428 O ALA A 30 21.643 41.048 -0.282 1.00 25.00 O ATOM 429 CB ALA A 30 23.993 40.765 -2.169 1.00 25.00 C ATOM 0 H ALA A 30 25.048 38.750 -1.176 1.00 25.00 H new ATOM 0 HA ALA A 30 24.267 41.310 -0.079 1.00 25.00 H new ATOM 0 HB1 ALA A 30 23.310 41.584 -2.393 1.00 25.00 H new ATOM 0 HB2 ALA A 30 25.007 41.052 -2.446 1.00 25.00 H new ATOM 0 HB3 ALA A 30 23.698 39.882 -2.735 1.00 25.00 H new ATOM 435 N ASN A 31 22.186 38.911 0.110 1.00 25.00 N ATOM 436 CA ASN A 31 20.804 38.517 0.396 1.00 25.00 C ATOM 437 C ASN A 31 20.607 38.068 1.848 1.00 25.00 C ATOM 438 O ASN A 31 20.922 36.930 2.207 1.00 25.00 O ATOM 439 CB ASN A 31 20.393 37.393 -0.550 1.00 25.00 C ATOM 440 CG ASN A 31 18.908 37.175 -0.572 1.00 25.00 C ATOM 441 OD1 ASN A 31 18.236 37.216 0.457 1.00 25.00 O ATOM 442 ND2 ASN A 31 18.383 36.942 -1.740 1.00 25.00 N ATOM 0 H ASN A 31 22.869 38.160 0.206 1.00 25.00 H new ATOM 0 HA ASN A 31 20.175 39.394 0.244 1.00 25.00 H new ATOM 0 HB2 ASN A 31 20.738 37.626 -1.557 1.00 25.00 H new ATOM 0 HB3 ASN A 31 20.888 36.470 -0.249 1.00 25.00 H new ATOM 0 HD21 ASN A 31 17.379 36.785 -1.826 1.00 25.00 H new ATOM 0 HD22 ASN A 31 18.976 36.916 -2.570 1.00 25.00 H new ATOM 449 N PRO A 32 20.039 38.942 2.699 1.00 25.00 N ATOM 450 CA PRO A 32 19.915 38.556 4.108 1.00 25.00 C ATOM 451 C PRO A 32 18.962 37.392 4.395 1.00 25.00 C ATOM 452 O PRO A 32 19.120 36.703 5.396 1.00 25.00 O ATOM 453 CB PRO A 32 19.428 39.849 4.770 1.00 25.00 C ATOM 454 CG PRO A 32 18.699 40.559 3.688 1.00 25.00 C ATOM 455 CD PRO A 32 19.529 40.306 2.471 1.00 25.00 C ATOM 0 HA PRO A 32 20.862 38.172 4.486 1.00 25.00 H new ATOM 0 HB2 PRO A 32 18.777 39.641 5.619 1.00 25.00 H new ATOM 0 HB3 PRO A 32 20.261 40.443 5.145 1.00 25.00 H new ATOM 0 HG2 PRO A 32 17.686 40.174 3.569 1.00 25.00 H new ATOM 0 HG3 PRO A 32 18.612 41.625 3.898 1.00 25.00 H new ATOM 0 HD2 PRO A 32 18.937 40.369 1.558 1.00 25.00 H new ATOM 0 HD3 PRO A 32 20.339 41.030 2.376 1.00 25.00 H new ATOM 463 N HIS A 33 17.985 37.152 3.533 1.00 25.00 N ATOM 464 CA HIS A 33 17.059 36.037 3.737 1.00 25.00 C ATOM 465 C HIS A 33 17.729 34.716 3.379 1.00 25.00 C ATOM 466 O HIS A 33 17.594 33.712 4.077 1.00 25.00 O ATOM 467 CB HIS A 33 15.815 36.219 2.864 1.00 25.00 C ATOM 468 CG HIS A 33 14.819 35.109 3.006 1.00 25.00 C ATOM 469 ND1 HIS A 33 13.863 35.046 3.988 1.00 25.00 N ATOM 470 CD2 HIS A 33 14.641 33.976 2.267 1.00 25.00 C ATOM 471 CE1 HIS A 33 13.166 33.926 3.819 1.00 25.00 C ATOM 472 NE2 HIS A 33 13.596 33.235 2.784 1.00 25.00 N ATOM 0 H HIS A 33 17.810 37.704 2.694 1.00 25.00 H new ATOM 0 HA HIS A 33 16.770 36.022 4.788 1.00 25.00 H new ATOM 0 HB2 HIS A 33 15.335 37.163 3.122 1.00 25.00 H new ATOM 0 HB3 HIS A 33 16.121 36.291 1.820 1.00 25.00 H new ATOM 0 HD2 HIS A 33 15.230 33.699 1.405 1.00 25.00 H new ATOM 0 HE1 HIS A 33 12.347 33.621 4.453 1.00 25.00 H new ATOM 0 HE2 HIS A 33 13.236 32.345 2.439 1.00 25.00 H new ATOM 480 N GLU A 34 18.445 34.725 2.268 1.00 25.00 N ATOM 481 CA GLU A 34 19.055 33.515 1.727 1.00 25.00 C ATOM 482 C GLU A 34 20.205 33.100 2.627 1.00 25.00 C ATOM 483 O GLU A 34 20.358 31.937 2.972 1.00 25.00 O ATOM 484 CB GLU A 34 19.550 33.796 0.308 1.00 25.00 C ATOM 485 CG GLU A 34 18.690 33.203 -0.793 1.00 25.00 C ATOM 486 CD GLU A 34 18.816 31.689 -0.882 1.00 25.00 C ATOM 487 OE1 GLU A 34 19.958 31.181 -0.901 1.00 25.00 O ATOM 488 OE2 GLU A 34 17.775 31.009 -0.946 1.00 25.00 O ATOM 0 H GLU A 34 18.621 35.564 1.716 1.00 25.00 H new ATOM 0 HA GLU A 34 18.328 32.704 1.688 1.00 25.00 H new ATOM 0 HB2 GLU A 34 19.607 34.875 0.165 1.00 25.00 H new ATOM 0 HB3 GLU A 34 20.563 33.407 0.208 1.00 25.00 H new ATOM 0 HG2 GLU A 34 17.647 33.467 -0.617 1.00 25.00 H new ATOM 0 HG3 GLU A 34 18.974 33.644 -1.748 1.00 25.00 H new ATOM 495 N LEU A 35 20.975 34.071 3.084 1.00 25.00 N ATOM 496 CA LEU A 35 22.080 33.785 3.986 1.00 25.00 C ATOM 497 C LEU A 35 21.567 33.239 5.321 1.00 25.00 C ATOM 498 O LEU A 35 22.239 32.449 5.977 1.00 25.00 O ATOM 499 CB LEU A 35 22.948 35.025 4.124 1.00 25.00 C ATOM 500 CG LEU A 35 22.672 36.157 5.115 1.00 25.00 C ATOM 501 CD1 LEU A 35 22.889 35.817 6.579 1.00 25.00 C ATOM 502 CD2 LEU A 35 23.619 37.252 4.700 1.00 25.00 C ATOM 0 H LEU A 35 20.859 35.057 2.849 1.00 25.00 H new ATOM 0 HA LEU A 35 22.710 32.996 3.574 1.00 25.00 H new ATOM 0 HB2 LEU A 35 23.955 34.669 4.342 1.00 25.00 H new ATOM 0 HB3 LEU A 35 22.979 35.486 3.137 1.00 25.00 H new ATOM 0 HG LEU A 35 21.615 36.420 5.070 1.00 25.00 H new ATOM 0 HD11 LEU A 35 22.665 36.690 7.192 1.00 25.00 H new ATOM 0 HD12 LEU A 35 22.232 34.995 6.863 1.00 25.00 H new ATOM 0 HD13 LEU A 35 23.927 35.522 6.734 1.00 25.00 H new ATOM 0 HD21 LEU A 35 23.492 38.111 5.358 1.00 25.00 H new ATOM 0 HD22 LEU A 35 24.645 36.891 4.768 1.00 25.00 H new ATOM 0 HD23 LEU A 35 23.406 37.547 3.673 1.00 25.00 H new ATOM 514 N SER A 36 20.372 33.664 5.711 1.00 25.00 N ATOM 515 CA SER A 36 19.754 33.250 6.972 1.00 25.00 C ATOM 516 C SER A 36 19.237 31.827 6.894 1.00 25.00 C ATOM 517 O SER A 36 19.396 31.053 7.832 1.00 25.00 O ATOM 518 CB SER A 36 18.603 34.182 7.353 1.00 25.00 C ATOM 519 OG SER A 36 18.102 33.859 8.640 1.00 25.00 O ATOM 0 H SER A 36 19.800 34.307 5.163 1.00 25.00 H new ATOM 0 HA SER A 36 20.528 33.304 7.737 1.00 25.00 H new ATOM 0 HB2 SER A 36 18.946 35.216 7.340 1.00 25.00 H new ATOM 0 HB3 SER A 36 17.804 34.102 6.616 1.00 25.00 H new ATOM 0 HG SER A 36 17.367 34.467 8.867 1.00 25.00 H new ATOM 525 N LEU A 37 18.631 31.458 5.778 1.00 25.00 N ATOM 526 CA LEU A 37 18.146 30.093 5.626 1.00 25.00 C ATOM 527 C LEU A 37 19.317 29.187 5.533 1.00 25.00 C ATOM 528 O LEU A 37 19.290 28.069 5.994 1.00 25.00 O ATOM 529 CB LEU A 37 17.234 29.956 4.422 1.00 25.00 C ATOM 530 CG LEU A 37 17.646 29.934 2.942 1.00 25.00 C ATOM 531 CD1 LEU A 37 18.282 28.627 2.513 1.00 25.00 C ATOM 532 CD2 LEU A 37 16.379 30.175 2.120 1.00 25.00 C ATOM 0 H LEU A 37 18.464 32.068 4.978 1.00 25.00 H new ATOM 0 HA LEU A 37 17.545 29.821 6.494 1.00 25.00 H new ATOM 0 HB2 LEU A 37 16.683 29.029 4.582 1.00 25.00 H new ATOM 0 HB3 LEU A 37 16.517 30.772 4.509 1.00 25.00 H new ATOM 0 HG LEU A 37 18.401 30.704 2.783 1.00 25.00 H new ATOM 0 HD11 LEU A 37 18.548 28.681 1.457 1.00 25.00 H new ATOM 0 HD12 LEU A 37 19.180 28.448 3.105 1.00 25.00 H new ATOM 0 HD13 LEU A 37 17.576 27.811 2.668 1.00 25.00 H new ATOM 0 HD21 LEU A 37 16.627 30.167 1.059 1.00 25.00 H new ATOM 0 HD22 LEU A 37 15.654 29.388 2.329 1.00 25.00 H new ATOM 0 HD23 LEU A 37 15.951 31.142 2.386 1.00 25.00 H new ATOM 544 N LEU A 38 20.368 29.688 4.932 1.00 25.00 N ATOM 545 CA LEU A 38 21.560 28.911 4.764 1.00 25.00 C ATOM 546 C LEU A 38 22.206 28.565 6.092 1.00 25.00 C ATOM 547 O LEU A 38 22.559 27.426 6.316 1.00 25.00 O ATOM 548 CB LEU A 38 22.503 29.679 3.878 1.00 25.00 C ATOM 549 CG LEU A 38 23.742 28.872 3.462 1.00 25.00 C ATOM 550 CD1 LEU A 38 23.350 27.704 2.581 1.00 25.00 C ATOM 551 CD2 LEU A 38 24.755 29.735 2.752 1.00 25.00 C ATOM 0 H LEU A 38 20.417 30.633 4.552 1.00 25.00 H new ATOM 0 HA LEU A 38 21.305 27.959 4.298 1.00 25.00 H new ATOM 0 HB2 LEU A 38 21.970 29.999 2.983 1.00 25.00 H new ATOM 0 HB3 LEU A 38 22.824 30.582 4.398 1.00 25.00 H new ATOM 0 HG LEU A 38 24.202 28.491 4.374 1.00 25.00 H new ATOM 0 HD11 LEU A 38 24.243 27.146 2.298 1.00 25.00 H new ATOM 0 HD12 LEU A 38 22.670 27.049 3.126 1.00 25.00 H new ATOM 0 HD13 LEU A 38 22.855 28.075 1.684 1.00 25.00 H new ATOM 0 HD21 LEU A 38 25.617 29.129 2.473 1.00 25.00 H new ATOM 0 HD22 LEU A 38 24.305 30.161 1.855 1.00 25.00 H new ATOM 0 HD23 LEU A 38 25.075 30.539 3.414 1.00 25.00 H new ATOM 563 N LYS A 39 22.305 29.518 7.002 1.00 25.00 N ATOM 564 CA LYS A 39 22.830 29.203 8.342 1.00 25.00 C ATOM 565 C LYS A 39 21.882 28.329 9.151 1.00 25.00 C ATOM 566 O LYS A 39 22.330 27.585 10.011 1.00 25.00 O ATOM 567 CB LYS A 39 23.235 30.456 9.132 1.00 25.00 C ATOM 568 CG LYS A 39 22.184 31.554 9.207 1.00 25.00 C ATOM 569 CD LYS A 39 22.537 32.634 10.223 1.00 25.00 C ATOM 570 CE LYS A 39 23.725 33.477 9.750 1.00 25.00 C ATOM 571 NZ LYS A 39 24.043 34.568 10.731 1.00 25.00 N ATOM 0 H LYS A 39 22.041 30.492 6.857 1.00 25.00 H new ATOM 0 HA LYS A 39 23.738 28.625 8.169 1.00 25.00 H new ATOM 0 HB2 LYS A 39 23.494 30.156 10.147 1.00 25.00 H new ATOM 0 HB3 LYS A 39 24.137 30.871 8.683 1.00 25.00 H new ATOM 0 HG2 LYS A 39 22.069 32.009 8.223 1.00 25.00 H new ATOM 0 HG3 LYS A 39 21.222 31.114 9.469 1.00 25.00 H new ATOM 0 HD2 LYS A 39 21.673 33.279 10.386 1.00 25.00 H new ATOM 0 HD3 LYS A 39 22.775 32.171 11.181 1.00 25.00 H new ATOM 0 HE2 LYS A 39 24.598 32.838 9.618 1.00 25.00 H new ATOM 0 HE3 LYS A 39 23.500 33.914 8.777 1.00 25.00 H new ATOM 0 HZ1 LYS A 39 24.852 35.122 10.384 1.00 25.00 H new ATOM 0 HZ2 LYS A 39 23.217 35.191 10.838 1.00 25.00 H new ATOM 0 HZ3 LYS A 39 24.281 34.148 11.652 1.00 25.00 H new ATOM 585 N GLU A 40 20.591 28.389 8.868 1.00 25.00 N ATOM 586 CA GLU A 40 19.635 27.528 9.563 1.00 25.00 C ATOM 587 C GLU A 40 19.694 26.094 9.018 1.00 25.00 C ATOM 588 O GLU A 40 19.802 25.132 9.770 1.00 25.00 O ATOM 589 CB GLU A 40 18.210 28.074 9.397 1.00 25.00 C ATOM 590 CG GLU A 40 17.192 27.420 10.332 1.00 25.00 C ATOM 591 CD GLU A 40 15.841 27.206 9.667 1.00 25.00 C ATOM 592 OE1 GLU A 40 15.335 28.129 9.000 1.00 25.00 O ATOM 593 OE2 GLU A 40 15.304 26.080 9.756 1.00 25.00 O ATOM 0 H GLU A 40 20.181 29.013 8.173 1.00 25.00 H new ATOM 0 HA GLU A 40 19.901 27.516 10.620 1.00 25.00 H new ATOM 0 HB2 GLU A 40 18.218 29.149 9.577 1.00 25.00 H new ATOM 0 HB3 GLU A 40 17.891 27.926 8.365 1.00 25.00 H new ATOM 0 HG2 GLU A 40 17.581 26.461 10.673 1.00 25.00 H new ATOM 0 HG3 GLU A 40 17.063 28.044 11.216 1.00 25.00 H new ATOM 600 N ARG A 41 19.587 25.959 7.701 1.00 25.00 N ATOM 601 CA ARG A 41 19.523 24.636 7.060 1.00 25.00 C ATOM 602 C ARG A 41 20.875 23.969 6.837 1.00 25.00 C ATOM 603 O ARG A 41 20.975 22.749 6.852 1.00 25.00 O ATOM 604 CB ARG A 41 18.833 24.759 5.695 1.00 25.00 C ATOM 605 CG ARG A 41 17.434 25.366 5.746 1.00 25.00 C ATOM 606 CD ARG A 41 16.406 24.431 6.377 1.00 25.00 C ATOM 607 NE ARG A 41 15.383 25.202 7.097 1.00 25.00 N ATOM 608 CZ ARG A 41 14.270 25.703 6.579 1.00 25.00 C ATOM 609 NH1 ARG A 41 13.928 25.529 5.325 1.00 25.00 N ATOM 610 NH2 ARG A 41 13.491 26.402 7.349 1.00 25.00 N ATOM 0 H ARG A 41 19.542 26.744 7.051 1.00 25.00 H new ATOM 0 HA ARG A 41 18.966 24.008 7.756 1.00 25.00 H new ATOM 0 HB2 ARG A 41 19.456 25.368 5.041 1.00 25.00 H new ATOM 0 HB3 ARG A 41 18.770 23.769 5.243 1.00 25.00 H new ATOM 0 HG2 ARG A 41 17.467 26.297 6.312 1.00 25.00 H new ATOM 0 HG3 ARG A 41 17.116 25.619 4.735 1.00 25.00 H new ATOM 0 HD2 ARG A 41 15.935 23.824 5.604 1.00 25.00 H new ATOM 0 HD3 ARG A 41 16.903 23.745 7.063 1.00 25.00 H new ATOM 0 HE ARG A 41 15.545 25.368 8.090 1.00 25.00 H new ATOM 0 HH11 ARG A 41 14.529 24.988 4.703 1.00 25.00 H new ATOM 0 HH12 ARG A 41 13.061 25.934 4.972 1.00 25.00 H new ATOM 0 HH21 ARG A 41 13.742 26.554 8.326 1.00 25.00 H new ATOM 0 HH22 ARG A 41 12.629 26.799 6.976 1.00 25.00 H new ATOM 624 N ASN A 42 21.892 24.767 6.558 1.00 25.00 N ATOM 625 CA ASN A 42 23.230 24.252 6.232 1.00 25.00 C ATOM 626 C ASN A 42 24.364 24.996 6.947 1.00 25.00 C ATOM 627 O ASN A 42 25.161 25.698 6.302 1.00 25.00 O ATOM 628 CB ASN A 42 23.465 24.358 4.724 1.00 25.00 C ATOM 629 CG ASN A 42 24.578 23.467 4.251 1.00 25.00 C ATOM 630 OD1 ASN A 42 25.269 22.847 5.032 1.00 25.00 O ATOM 631 ND2 ASN A 42 24.748 23.393 2.969 1.00 25.00 N ATOM 0 H ASN A 42 21.824 25.785 6.548 1.00 25.00 H new ATOM 0 HA ASN A 42 23.249 23.217 6.573 1.00 25.00 H new ATOM 0 HB2 ASN A 42 22.547 24.098 4.197 1.00 25.00 H new ATOM 0 HB3 ASN A 42 23.697 25.392 4.468 1.00 25.00 H new ATOM 0 HD21 ASN A 42 25.483 22.798 2.585 1.00 25.00 H new ATOM 0 HD22 ASN A 42 24.147 23.929 2.343 1.00 25.00 H new ATOM 638 N PRO A 43 24.479 24.843 8.277 1.00 25.00 N ATOM 639 CA PRO A 43 25.566 25.588 8.928 1.00 25.00 C ATOM 640 C PRO A 43 27.013 25.385 8.409 1.00 25.00 C ATOM 641 O PRO A 43 27.755 26.365 8.359 1.00 25.00 O ATOM 642 CB PRO A 43 25.419 25.205 10.409 1.00 25.00 C ATOM 643 CG PRO A 43 24.617 23.948 10.419 1.00 25.00 C ATOM 644 CD PRO A 43 23.687 24.070 9.252 1.00 25.00 C ATOM 0 HA PRO A 43 25.449 26.649 8.705 1.00 25.00 H new ATOM 0 HB2 PRO A 43 26.393 25.052 10.873 1.00 25.00 H new ATOM 0 HB3 PRO A 43 24.919 25.994 10.970 1.00 25.00 H new ATOM 0 HG2 PRO A 43 25.257 23.071 10.323 1.00 25.00 H new ATOM 0 HG3 PRO A 43 24.066 23.839 11.353 1.00 25.00 H new ATOM 0 HD2 PRO A 43 23.403 23.094 8.858 1.00 25.00 H new ATOM 0 HD3 PRO A 43 22.765 24.585 9.522 1.00 25.00 H new ATOM 652 N PRO A 44 27.429 24.165 7.970 1.00 25.00 N ATOM 653 CA PRO A 44 28.818 24.186 7.479 1.00 25.00 C ATOM 654 C PRO A 44 29.055 24.959 6.168 1.00 25.00 C ATOM 655 O PRO A 44 30.131 25.514 5.967 1.00 25.00 O ATOM 656 CB PRO A 44 29.142 22.700 7.302 1.00 25.00 C ATOM 657 CG PRO A 44 27.854 22.083 6.991 1.00 25.00 C ATOM 658 CD PRO A 44 26.873 22.799 7.885 1.00 25.00 C ATOM 0 HA PRO A 44 29.458 24.721 8.181 1.00 25.00 H new ATOM 0 HB2 PRO A 44 29.862 22.543 6.499 1.00 25.00 H new ATOM 0 HB3 PRO A 44 29.577 22.277 8.208 1.00 25.00 H new ATOM 0 HG2 PRO A 44 27.597 22.207 5.939 1.00 25.00 H new ATOM 0 HG3 PRO A 44 27.867 21.012 7.192 1.00 25.00 H new ATOM 0 HD2 PRO A 44 25.868 22.799 7.462 1.00 25.00 H new ATOM 0 HD3 PRO A 44 26.806 22.330 8.867 1.00 25.00 H new ATOM 666 N LEU A 45 28.072 25.040 5.274 1.00 25.00 N ATOM 667 CA LEU A 45 28.263 25.855 4.071 1.00 25.00 C ATOM 668 C LEU A 45 28.138 27.318 4.467 1.00 25.00 C ATOM 669 O LEU A 45 28.836 28.187 3.950 1.00 25.00 O ATOM 670 CB LEU A 45 27.251 25.510 2.981 1.00 25.00 C ATOM 671 CG LEU A 45 27.420 26.256 1.639 1.00 25.00 C ATOM 672 CD1 LEU A 45 28.831 26.113 1.047 1.00 25.00 C ATOM 673 CD2 LEU A 45 26.399 25.719 0.636 1.00 25.00 C ATOM 0 H LEU A 45 27.168 24.573 5.350 1.00 25.00 H new ATOM 0 HA LEU A 45 29.250 25.652 3.657 1.00 25.00 H new ATOM 0 HB2 LEU A 45 27.306 24.439 2.788 1.00 25.00 H new ATOM 0 HB3 LEU A 45 26.251 25.714 3.364 1.00 25.00 H new ATOM 0 HG LEU A 45 27.259 27.316 1.836 1.00 25.00 H new ATOM 0 HD11 LEU A 45 28.887 26.659 0.105 1.00 25.00 H new ATOM 0 HD12 LEU A 45 29.562 26.520 1.746 1.00 25.00 H new ATOM 0 HD13 LEU A 45 29.046 25.059 0.869 1.00 25.00 H new ATOM 0 HD21 LEU A 45 26.513 26.241 -0.314 1.00 25.00 H new ATOM 0 HD22 LEU A 45 26.563 24.652 0.485 1.00 25.00 H new ATOM 0 HD23 LEU A 45 25.392 25.880 1.020 1.00 25.00 H new ATOM 685 N ALA A 46 27.253 27.580 5.412 1.00 25.00 N ATOM 686 CA ALA A 46 27.054 28.935 5.884 1.00 25.00 C ATOM 687 C ALA A 46 28.303 29.522 6.538 1.00 25.00 C ATOM 688 O ALA A 46 28.660 30.636 6.233 1.00 25.00 O ATOM 689 CB ALA A 46 25.915 28.980 6.844 1.00 25.00 C ATOM 0 H ALA A 46 26.666 26.878 5.863 1.00 25.00 H new ATOM 0 HA ALA A 46 26.830 29.545 5.009 1.00 25.00 H new ATOM 0 HB1 ALA A 46 25.774 30.003 7.193 1.00 25.00 H new ATOM 0 HB2 ALA A 46 25.007 28.637 6.348 1.00 25.00 H new ATOM 0 HB3 ALA A 46 26.130 28.333 7.694 1.00 25.00 H new ATOM 695 N GLU A 47 28.956 28.799 7.438 1.00 25.00 N ATOM 696 CA GLU A 47 30.130 29.343 8.141 1.00 25.00 C ATOM 697 C GLU A 47 31.250 29.683 7.155 1.00 25.00 C ATOM 698 O GLU A 47 31.993 30.646 7.345 1.00 25.00 O ATOM 699 CB GLU A 47 30.620 28.390 9.243 1.00 25.00 C ATOM 700 CG GLU A 47 31.203 27.078 8.743 1.00 25.00 C ATOM 701 CD GLU A 47 31.602 26.140 9.873 1.00 25.00 C ATOM 702 OE1 GLU A 47 32.067 25.021 9.572 1.00 25.00 O ATOM 703 OE2 GLU A 47 31.468 26.524 11.055 1.00 25.00 O ATOM 0 H GLU A 47 28.704 27.846 7.702 1.00 25.00 H new ATOM 0 HA GLU A 47 29.824 30.268 8.629 1.00 25.00 H new ATOM 0 HB2 GLU A 47 31.376 28.903 9.837 1.00 25.00 H new ATOM 0 HB3 GLU A 47 29.786 28.170 9.909 1.00 25.00 H new ATOM 0 HG2 GLU A 47 30.472 26.581 8.105 1.00 25.00 H new ATOM 0 HG3 GLU A 47 32.076 27.286 8.125 1.00 25.00 H new ATOM 710 N ALA A 48 31.324 28.928 6.070 1.00 25.00 N ATOM 711 CA ALA A 48 32.272 29.185 5.009 1.00 25.00 C ATOM 712 C ALA A 48 31.978 30.542 4.345 1.00 25.00 C ATOM 713 O ALA A 48 32.894 31.296 4.027 1.00 25.00 O ATOM 714 CB ALA A 48 32.194 28.043 3.993 1.00 25.00 C ATOM 0 H ALA A 48 30.725 28.119 5.905 1.00 25.00 H new ATOM 0 HA ALA A 48 33.282 29.232 5.416 1.00 25.00 H new ATOM 0 HB1 ALA A 48 32.905 28.224 3.187 1.00 25.00 H new ATOM 0 HB2 ALA A 48 32.436 27.101 4.485 1.00 25.00 H new ATOM 0 HB3 ALA A 48 31.186 27.989 3.583 1.00 25.00 H new ATOM 720 N LEU A 49 30.699 30.858 4.192 1.00 25.00 N ATOM 721 CA LEU A 49 30.268 32.144 3.637 1.00 25.00 C ATOM 722 C LEU A 49 30.572 33.276 4.613 1.00 25.00 C ATOM 723 O LEU A 49 31.022 34.343 4.210 1.00 25.00 O ATOM 724 CB LEU A 49 28.754 32.122 3.377 1.00 25.00 C ATOM 725 CG LEU A 49 28.158 33.407 2.787 1.00 25.00 C ATOM 726 CD1 LEU A 49 28.368 33.437 1.292 1.00 25.00 C ATOM 727 CD2 LEU A 49 26.679 33.493 3.132 1.00 25.00 C ATOM 0 H LEU A 49 29.931 30.237 4.446 1.00 25.00 H new ATOM 0 HA LEU A 49 30.808 32.308 2.705 1.00 25.00 H new ATOM 0 HB2 LEU A 49 28.533 31.297 2.700 1.00 25.00 H new ATOM 0 HB3 LEU A 49 28.246 31.907 4.317 1.00 25.00 H new ATOM 0 HG LEU A 49 28.663 34.272 3.217 1.00 25.00 H new ATOM 0 HD11 LEU A 49 27.941 34.353 0.883 1.00 25.00 H new ATOM 0 HD12 LEU A 49 29.435 33.405 1.074 1.00 25.00 H new ATOM 0 HD13 LEU A 49 27.879 32.575 0.839 1.00 25.00 H new ATOM 0 HD21 LEU A 49 26.260 34.407 2.711 1.00 25.00 H new ATOM 0 HD22 LEU A 49 26.158 32.630 2.717 1.00 25.00 H new ATOM 0 HD23 LEU A 49 26.558 33.504 4.215 1.00 25.00 H new ATOM 739 N LEU A 50 30.310 33.044 5.895 1.00 25.00 N ATOM 740 CA LEU A 50 30.478 34.086 6.921 1.00 25.00 C ATOM 741 C LEU A 50 31.937 34.493 7.026 1.00 25.00 C ATOM 742 O LEU A 50 32.265 35.605 7.417 1.00 25.00 O ATOM 743 CB LEU A 50 30.018 33.598 8.307 1.00 25.00 C ATOM 744 CG LEU A 50 28.645 32.925 8.468 1.00 25.00 C ATOM 745 CD1 LEU A 50 28.305 32.782 9.936 1.00 25.00 C ATOM 746 CD2 LEU A 50 27.521 33.622 7.712 1.00 25.00 C ATOM 0 H LEU A 50 29.981 32.148 6.255 1.00 25.00 H new ATOM 0 HA LEU A 50 29.864 34.934 6.616 1.00 25.00 H new ATOM 0 HB2 LEU A 50 30.768 32.895 8.669 1.00 25.00 H new ATOM 0 HB3 LEU A 50 30.038 34.458 8.977 1.00 25.00 H new ATOM 0 HG LEU A 50 28.731 31.938 8.013 1.00 25.00 H new ATOM 0 HD11 LEU A 50 27.331 32.304 10.039 1.00 25.00 H new ATOM 0 HD12 LEU A 50 29.062 32.171 10.427 1.00 25.00 H new ATOM 0 HD13 LEU A 50 28.277 33.768 10.401 1.00 25.00 H new ATOM 0 HD21 LEU A 50 26.586 33.087 7.876 1.00 25.00 H new ATOM 0 HD22 LEU A 50 27.421 34.646 8.072 1.00 25.00 H new ATOM 0 HD23 LEU A 50 27.751 33.632 6.647 1.00 25.00 H new ATOM 758 N SER A 51 32.805 33.558 6.681 1.00 25.00 N ATOM 759 CA SER A 51 34.244 33.763 6.733 1.00 25.00 C ATOM 760 C SER A 51 34.759 34.579 5.545 1.00 25.00 C ATOM 761 O SER A 51 35.870 35.091 5.583 1.00 25.00 O ATOM 762 CB SER A 51 34.909 32.399 6.739 1.00 25.00 C ATOM 763 OG SER A 51 36.275 32.460 7.122 1.00 25.00 O ATOM 0 H SER A 51 32.531 32.631 6.355 1.00 25.00 H new ATOM 0 HA SER A 51 34.483 34.328 7.634 1.00 25.00 H new ATOM 0 HB2 SER A 51 34.373 31.740 7.422 1.00 25.00 H new ATOM 0 HB3 SER A 51 34.833 31.957 5.745 1.00 25.00 H new ATOM 0 HG SER A 51 36.675 33.286 6.778 1.00 25.00 H new ATOM 769 N GLY A 52 33.965 34.680 4.483 1.00 25.00 N ATOM 770 CA GLY A 52 34.332 35.477 3.317 1.00 25.00 C ATOM 771 C GLY A 52 35.164 34.741 2.279 1.00 25.00 C ATOM 772 O GLY A 52 35.065 35.011 1.078 1.00 25.00 O ATOM 0 H GLY A 52 33.059 34.217 4.406 1.00 25.00 H new ATOM 0 HA2 GLY A 52 33.421 35.840 2.841 1.00 25.00 H new ATOM 0 HA3 GLY A 52 34.887 36.353 3.653 1.00 25.00 H new ATOM 776 N ASP A 53 35.981 33.810 2.748 1.00 25.00 N ATOM 777 CA ASP A 53 36.862 33.011 1.911 1.00 25.00 C ATOM 778 C ASP A 53 36.102 32.222 0.853 1.00 25.00 C ATOM 779 O ASP A 53 35.410 31.248 1.149 1.00 25.00 O ATOM 780 CB ASP A 53 37.635 32.078 2.805 1.00 25.00 C ATOM 781 CG ASP A 53 38.746 32.769 3.548 1.00 25.00 C ATOM 782 OD1 ASP A 53 38.841 32.550 4.777 1.00 25.00 O ATOM 783 OD2 ASP A 53 39.504 33.539 2.927 1.00 25.00 O ATOM 0 H ASP A 53 36.051 33.585 3.740 1.00 25.00 H new ATOM 0 HA ASP A 53 37.534 33.679 1.372 1.00 25.00 H new ATOM 0 HB2 ASP A 53 36.953 31.622 3.523 1.00 25.00 H new ATOM 0 HB3 ASP A 53 38.053 31.270 2.205 1.00 25.00 H new ATOM 788 N LEU A 54 36.260 32.622 -0.401 1.00 25.00 N ATOM 789 CA LEU A 54 35.622 31.904 -1.498 1.00 25.00 C ATOM 790 C LEU A 54 36.184 30.490 -1.522 1.00 25.00 C ATOM 791 O LEU A 54 35.469 29.545 -1.786 1.00 25.00 O ATOM 792 CB LEU A 54 35.883 32.593 -2.843 1.00 25.00 C ATOM 793 CG LEU A 54 35.239 31.979 -4.113 1.00 25.00 C ATOM 794 CD1 LEU A 54 36.138 30.923 -4.771 1.00 25.00 C ATOM 795 CD2 LEU A 54 33.835 31.398 -3.893 1.00 25.00 C ATOM 0 H LEU A 54 36.817 33.429 -0.683 1.00 25.00 H new ATOM 0 HA LEU A 54 34.543 31.890 -1.343 1.00 25.00 H new ATOM 0 HB2 LEU A 54 35.542 33.625 -2.761 1.00 25.00 H new ATOM 0 HB3 LEU A 54 36.961 32.625 -2.998 1.00 25.00 H new ATOM 0 HG LEU A 54 35.130 32.828 -4.788 1.00 25.00 H new ATOM 0 HD11 LEU A 54 35.642 30.523 -5.656 1.00 25.00 H new ATOM 0 HD12 LEU A 54 37.084 31.380 -5.061 1.00 25.00 H new ATOM 0 HD13 LEU A 54 36.327 30.115 -4.065 1.00 25.00 H new ATOM 0 HD21 LEU A 54 33.459 30.990 -4.831 1.00 25.00 H new ATOM 0 HD22 LEU A 54 33.882 30.606 -3.146 1.00 25.00 H new ATOM 0 HD23 LEU A 54 33.166 32.185 -3.546 1.00 25.00 H new ATOM 807 N GLU A 55 37.463 30.334 -1.226 1.00 25.00 N ATOM 808 CA GLU A 55 38.073 29.007 -1.263 1.00 25.00 C ATOM 809 C GLU A 55 37.367 28.016 -0.331 1.00 25.00 C ATOM 810 O GLU A 55 37.064 26.900 -0.745 1.00 25.00 O ATOM 811 CB GLU A 55 39.574 29.071 -0.958 1.00 25.00 C ATOM 812 CG GLU A 55 39.961 29.769 0.342 1.00 25.00 C ATOM 813 CD GLU A 55 41.453 29.675 0.598 1.00 25.00 C ATOM 814 OE1 GLU A 55 41.845 28.993 1.569 1.00 25.00 O ATOM 815 OE2 GLU A 55 42.233 30.227 -0.204 1.00 25.00 O ATOM 0 H GLU A 55 38.093 31.091 -0.962 1.00 25.00 H new ATOM 0 HA GLU A 55 37.950 28.636 -2.280 1.00 25.00 H new ATOM 0 HB2 GLU A 55 39.963 28.053 -0.931 1.00 25.00 H new ATOM 0 HB3 GLU A 55 40.071 29.581 -1.783 1.00 25.00 H new ATOM 0 HG2 GLU A 55 39.663 30.817 0.297 1.00 25.00 H new ATOM 0 HG3 GLU A 55 39.419 29.319 1.174 1.00 25.00 H new ATOM 822 N LYS A 56 37.037 28.420 0.891 1.00 25.00 N ATOM 823 CA LYS A 56 36.330 27.516 1.797 1.00 25.00 C ATOM 824 C LYS A 56 34.880 27.399 1.387 1.00 25.00 C ATOM 825 O LYS A 56 34.315 26.322 1.469 1.00 25.00 O ATOM 826 CB LYS A 56 36.493 27.920 3.273 1.00 25.00 C ATOM 827 CG LYS A 56 35.854 29.158 3.728 1.00 25.00 C ATOM 828 CD LYS A 56 36.498 29.616 5.041 1.00 25.00 C ATOM 829 CE LYS A 56 36.107 28.791 6.257 1.00 25.00 C ATOM 830 NZ LYS A 56 36.695 29.435 7.484 1.00 25.00 N ATOM 0 H LYS A 56 37.240 29.344 1.272 1.00 25.00 H new ATOM 0 HA LYS A 56 36.785 26.529 1.713 1.00 25.00 H new ATOM 0 HB2 LYS A 56 36.110 27.104 3.886 1.00 25.00 H new ATOM 0 HB3 LYS A 56 37.560 28.001 3.480 1.00 25.00 H new ATOM 0 HG2 LYS A 56 35.959 29.934 2.969 1.00 25.00 H new ATOM 0 HG3 LYS A 56 34.786 28.996 3.872 1.00 25.00 H new ATOM 0 HD2 LYS A 56 37.582 29.584 4.930 1.00 25.00 H new ATOM 0 HD3 LYS A 56 36.226 30.656 5.221 1.00 25.00 H new ATOM 0 HE2 LYS A 56 35.022 28.734 6.343 1.00 25.00 H new ATOM 0 HE3 LYS A 56 36.472 27.769 6.154 1.00 25.00 H new ATOM 0 HZ1 LYS A 56 36.193 29.095 8.329 1.00 25.00 H new ATOM 0 HZ2 LYS A 56 37.703 29.188 7.557 1.00 25.00 H new ATOM 0 HZ3 LYS A 56 36.596 30.468 7.415 1.00 25.00 H new ATOM 844 N PHE A 57 34.292 28.472 0.880 1.00 25.00 N ATOM 845 CA PHE A 57 32.913 28.409 0.409 1.00 25.00 C ATOM 846 C PHE A 57 32.794 27.393 -0.723 1.00 25.00 C ATOM 847 O PHE A 57 31.963 26.505 -0.664 1.00 25.00 O ATOM 848 CB PHE A 57 32.423 29.786 -0.037 1.00 25.00 C ATOM 849 CG PHE A 57 31.000 29.784 -0.507 1.00 25.00 C ATOM 850 CD1 PHE A 57 29.944 29.840 0.421 1.00 25.00 C ATOM 851 CD2 PHE A 57 30.702 29.704 -1.879 1.00 25.00 C ATOM 852 CE1 PHE A 57 28.600 29.825 -0.017 1.00 25.00 C ATOM 853 CE2 PHE A 57 29.364 29.688 -2.326 1.00 25.00 C ATOM 854 CZ PHE A 57 28.314 29.755 -1.396 1.00 25.00 C ATOM 0 H PHE A 57 34.738 29.384 0.784 1.00 25.00 H new ATOM 0 HA PHE A 57 32.278 28.086 1.234 1.00 25.00 H new ATOM 0 HB2 PHE A 57 32.524 30.486 0.792 1.00 25.00 H new ATOM 0 HB3 PHE A 57 33.064 30.149 -0.841 1.00 25.00 H new ATOM 0 HD1 PHE A 57 30.162 29.895 1.477 1.00 25.00 H new ATOM 0 HD2 PHE A 57 31.506 29.654 -2.598 1.00 25.00 H new ATOM 0 HE1 PHE A 57 27.795 29.867 0.702 1.00 25.00 H new ATOM 0 HE2 PHE A 57 29.148 29.624 -3.382 1.00 25.00 H new ATOM 0 HZ PHE A 57 27.289 29.753 -1.736 1.00 25.00 H new ATOM 864 N SER A 58 33.664 27.489 -1.716 1.00 25.00 N ATOM 865 CA SER A 58 33.694 26.547 -2.831 1.00 25.00 C ATOM 866 C SER A 58 34.017 25.125 -2.388 1.00 25.00 C ATOM 867 O SER A 58 33.375 24.177 -2.821 1.00 25.00 O ATOM 868 CB SER A 58 34.746 26.999 -3.847 1.00 25.00 C ATOM 869 OG SER A 58 34.783 26.128 -4.962 1.00 25.00 O ATOM 0 H SER A 58 34.371 28.222 -1.775 1.00 25.00 H new ATOM 0 HA SER A 58 32.698 26.539 -3.274 1.00 25.00 H new ATOM 0 HB2 SER A 58 34.523 28.012 -4.180 1.00 25.00 H new ATOM 0 HB3 SER A 58 35.726 27.029 -3.372 1.00 25.00 H new ATOM 0 HG SER A 58 35.461 26.439 -5.597 1.00 25.00 H new ATOM 875 N ARG A 59 34.993 24.973 -1.505 1.00 25.00 N ATOM 876 CA ARG A 59 35.383 23.644 -1.027 1.00 25.00 C ATOM 877 C ARG A 59 34.196 22.951 -0.378 1.00 25.00 C ATOM 878 O ARG A 59 33.897 21.800 -0.683 1.00 25.00 O ATOM 879 CB ARG A 59 36.542 23.774 -0.033 1.00 25.00 C ATOM 880 CG ARG A 59 37.000 22.461 0.610 1.00 25.00 C ATOM 881 CD ARG A 59 36.502 22.356 2.049 1.00 25.00 C ATOM 882 NE ARG A 59 37.039 21.170 2.736 1.00 25.00 N ATOM 883 CZ ARG A 59 36.774 20.830 3.994 1.00 25.00 C ATOM 884 NH1 ARG A 59 35.995 21.547 4.766 1.00 25.00 N ATOM 885 NH2 ARG A 59 37.311 19.750 4.490 1.00 25.00 N ATOM 0 H ARG A 59 35.529 25.743 -1.105 1.00 25.00 H new ATOM 0 HA ARG A 59 35.711 23.039 -1.872 1.00 25.00 H new ATOM 0 HB2 ARG A 59 37.391 24.224 -0.547 1.00 25.00 H new ATOM 0 HB3 ARG A 59 36.246 24.463 0.758 1.00 25.00 H new ATOM 0 HG2 ARG A 59 36.627 21.617 0.029 1.00 25.00 H new ATOM 0 HG3 ARG A 59 38.088 22.403 0.593 1.00 25.00 H new ATOM 0 HD2 ARG A 59 36.789 23.253 2.598 1.00 25.00 H new ATOM 0 HD3 ARG A 59 35.413 22.315 2.053 1.00 25.00 H new ATOM 0 HE ARG A 59 37.663 20.562 2.206 1.00 25.00 H new ATOM 0 HH11 ARG A 59 35.567 22.400 4.407 1.00 25.00 H new ATOM 0 HH12 ARG A 59 35.817 21.252 5.726 1.00 25.00 H new ATOM 0 HH21 ARG A 59 37.927 19.176 3.914 1.00 25.00 H new ATOM 0 HH22 ARG A 59 37.115 19.479 5.454 1.00 25.00 H new ATOM 899 N VAL A 60 33.502 23.660 0.496 1.00 25.00 N ATOM 900 CA VAL A 60 32.360 23.084 1.191 1.00 25.00 C ATOM 901 C VAL A 60 31.208 22.906 0.207 1.00 25.00 C ATOM 902 O VAL A 60 30.447 21.955 0.315 1.00 25.00 O ATOM 903 CB VAL A 60 31.941 23.935 2.420 1.00 25.00 C ATOM 904 CG1 VAL A 60 30.748 23.300 3.133 1.00 25.00 C ATOM 905 CG2 VAL A 60 33.115 24.037 3.416 1.00 25.00 C ATOM 0 H VAL A 60 33.706 24.629 0.741 1.00 25.00 H new ATOM 0 HA VAL A 60 32.644 22.107 1.582 1.00 25.00 H new ATOM 0 HB VAL A 60 31.664 24.928 2.065 1.00 25.00 H new ATOM 0 HG11 VAL A 60 30.470 23.911 3.991 1.00 25.00 H new ATOM 0 HG12 VAL A 60 29.905 23.235 2.445 1.00 25.00 H new ATOM 0 HG13 VAL A 60 31.017 22.300 3.472 1.00 25.00 H new ATOM 0 HG21 VAL A 60 32.812 24.636 4.275 1.00 25.00 H new ATOM 0 HG22 VAL A 60 33.396 23.038 3.751 1.00 25.00 H new ATOM 0 HG23 VAL A 60 33.967 24.509 2.927 1.00 25.00 H new ATOM 915 N LEU A 61 31.092 23.786 -0.775 1.00 25.00 N ATOM 916 CA LEU A 61 30.038 23.670 -1.784 1.00 25.00 C ATOM 917 C LEU A 61 30.119 22.317 -2.489 1.00 25.00 C ATOM 918 O LEU A 61 29.108 21.647 -2.660 1.00 25.00 O ATOM 919 CB LEU A 61 30.155 24.794 -2.824 1.00 25.00 C ATOM 920 CG LEU A 61 28.894 25.037 -3.661 1.00 25.00 C ATOM 921 CD1 LEU A 61 28.071 26.112 -3.000 1.00 25.00 C ATOM 922 CD2 LEU A 61 29.206 25.485 -5.072 1.00 25.00 C ATOM 0 H LEU A 61 31.710 24.588 -0.899 1.00 25.00 H new ATOM 0 HA LEU A 61 29.077 23.754 -1.276 1.00 25.00 H new ATOM 0 HB2 LEU A 61 30.415 25.719 -2.309 1.00 25.00 H new ATOM 0 HB3 LEU A 61 30.980 24.561 -3.497 1.00 25.00 H new ATOM 0 HG LEU A 61 28.357 24.090 -3.719 1.00 25.00 H new ATOM 0 HD11 LEU A 61 27.171 26.294 -3.587 1.00 25.00 H new ATOM 0 HD12 LEU A 61 27.791 25.791 -1.997 1.00 25.00 H new ATOM 0 HD13 LEU A 61 28.655 27.030 -2.938 1.00 25.00 H new ATOM 0 HD21 LEU A 61 28.276 25.642 -5.618 1.00 25.00 H new ATOM 0 HD22 LEU A 61 29.770 26.417 -5.041 1.00 25.00 H new ATOM 0 HD23 LEU A 61 29.797 24.719 -5.575 1.00 25.00 H new ATOM 934 N VAL A 62 31.320 21.896 -2.864 1.00 25.00 N ATOM 935 CA VAL A 62 31.496 20.605 -3.540 1.00 25.00 C ATOM 936 C VAL A 62 31.195 19.458 -2.586 1.00 25.00 C ATOM 937 O VAL A 62 30.507 18.508 -2.947 1.00 25.00 O ATOM 938 CB VAL A 62 32.943 20.441 -4.090 1.00 25.00 C ATOM 939 CG1 VAL A 62 33.111 19.077 -4.788 1.00 25.00 C ATOM 940 CG2 VAL A 62 33.261 21.559 -5.074 1.00 25.00 C ATOM 0 H VAL A 62 32.183 22.420 -2.716 1.00 25.00 H new ATOM 0 HA VAL A 62 30.798 20.582 -4.377 1.00 25.00 H new ATOM 0 HB VAL A 62 33.634 20.492 -3.248 1.00 25.00 H new ATOM 0 HG11 VAL A 62 34.130 18.984 -5.165 1.00 25.00 H new ATOM 0 HG12 VAL A 62 32.913 18.277 -4.075 1.00 25.00 H new ATOM 0 HG13 VAL A 62 32.409 19.004 -5.619 1.00 25.00 H new ATOM 0 HG21 VAL A 62 34.276 21.433 -5.452 1.00 25.00 H new ATOM 0 HG22 VAL A 62 32.557 21.523 -5.906 1.00 25.00 H new ATOM 0 HG23 VAL A 62 33.178 22.522 -4.570 1.00 25.00 H new ATOM 950 N GLU A 63 31.676 19.555 -1.355 1.00 25.00 N ATOM 951 CA GLU A 63 31.419 18.510 -0.353 1.00 25.00 C ATOM 952 C GLU A 63 29.914 18.355 -0.126 1.00 25.00 C ATOM 953 O GLU A 63 29.387 17.241 -0.063 1.00 25.00 O ATOM 954 CB GLU A 63 32.104 18.866 0.970 1.00 25.00 C ATOM 955 CG GLU A 63 33.623 18.791 0.901 1.00 25.00 C ATOM 956 CD GLU A 63 34.287 19.218 2.201 1.00 25.00 C ATOM 957 OE1 GLU A 63 33.872 20.241 2.794 1.00 25.00 O ATOM 958 OE2 GLU A 63 35.264 18.552 2.612 1.00 25.00 O ATOM 0 H GLU A 63 32.242 20.335 -1.020 1.00 25.00 H new ATOM 0 HA GLU A 63 31.824 17.568 -0.723 1.00 25.00 H new ATOM 0 HB2 GLU A 63 31.810 19.874 1.264 1.00 25.00 H new ATOM 0 HB3 GLU A 63 31.749 18.191 1.748 1.00 25.00 H new ATOM 0 HG2 GLU A 63 33.923 17.771 0.662 1.00 25.00 H new ATOM 0 HG3 GLU A 63 33.978 19.426 0.090 1.00 25.00 H new