USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 465 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 Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -178:sc= 0.48! USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 ASN : amide:sc= -2.1 K(o=-2.1,f=-0.82) USER MOD Single : A 42 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot -68:sc= 0.702 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl 153:sc= -2.89! (180deg=-4.28!) USER MOD Single : A 63 GLN : amide:sc= 0.283 K(o=0.28,f=-2.1!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -2.76 K(o=-2.8,f=-5.4!) USER MOD Single : A 67 TYR OH : rot 165:sc= -0.0793 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 148:sc= -0.767 (180deg=-2.62!) USER MOD Single : A 70 LYS NZ :NH3+ -178:sc= -1.77 (180deg=-1.87) USER MOD Single : A 71 THR OG1 : rot 59:sc= -0.194 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 306 N PRO A 21 -3.626 2.933 6.739 1.00 0.00 N ATOM 307 CA PRO A 21 -4.517 3.953 6.177 1.00 0.00 C ATOM 308 C PRO A 21 -5.181 4.801 7.256 1.00 0.00 C ATOM 309 O PRO A 21 -5.266 4.394 8.415 1.00 0.00 O ATOM 310 CB PRO A 21 -5.566 3.131 5.423 1.00 0.00 C ATOM 311 CG PRO A 21 -5.572 1.807 6.106 1.00 0.00 C ATOM 312 CD PRO A 21 -4.160 1.571 6.566 1.00 0.00 C ATOM 0 HA PRO A 21 -3.979 4.663 5.549 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -6.547 3.604 5.468 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -5.308 3.031 4.369 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -6.262 1.806 6.950 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -5.898 1.019 5.427 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -4.130 1.006 7.498 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -3.587 1.005 5.831 1.00 0.00 H new ATOM 320 N VAL A 22 -5.651 5.983 6.868 1.00 0.00 N ATOM 321 CA VAL A 22 -6.308 6.888 7.803 1.00 0.00 C ATOM 322 C VAL A 22 -7.825 6.752 7.725 1.00 0.00 C ATOM 323 O VAL A 22 -8.363 6.242 6.742 1.00 0.00 O ATOM 324 CB VAL A 22 -5.921 8.354 7.531 1.00 0.00 C ATOM 325 CG1 VAL A 22 -4.413 8.488 7.379 1.00 0.00 C ATOM 326 CG2 VAL A 22 -6.639 8.874 6.295 1.00 0.00 C ATOM 0 H VAL A 22 -5.589 6.335 5.913 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.972 6.610 8.802 1.00 0.00 H new ATOM 0 HB VAL A 22 -6.231 8.958 8.383 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.158 9.530 7.187 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.924 8.157 8.295 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -4.075 7.873 6.545 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.354 9.911 6.118 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -6.362 8.269 5.432 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.717 8.815 6.448 1.00 0.00 H new ATOM 336 N SER A 23 -8.509 7.212 8.767 1.00 0.00 N ATOM 337 CA SER A 23 -9.965 7.138 8.818 1.00 0.00 C ATOM 338 C SER A 23 -10.587 7.849 7.620 1.00 0.00 C ATOM 339 O SER A 23 -9.887 8.463 6.817 1.00 0.00 O ATOM 340 CB SER A 23 -10.482 7.757 10.118 1.00 0.00 C ATOM 341 OG SER A 23 -11.516 6.969 10.682 1.00 0.00 O ATOM 0 H SER A 23 -8.079 7.640 9.587 1.00 0.00 H new ATOM 0 HA SER A 23 -10.253 6.087 8.784 1.00 0.00 H new ATOM 0 HB2 SER A 23 -9.663 7.851 10.831 1.00 0.00 H new ATOM 0 HB3 SER A 23 -10.853 8.763 9.923 1.00 0.00 H new ATOM 0 HG SER A 23 -11.828 7.385 11.513 1.00 0.00 H new ATOM 347 N ALA A 24 -11.908 7.760 7.508 1.00 0.00 N ATOM 348 CA ALA A 24 -12.626 8.395 6.411 1.00 0.00 C ATOM 349 C ALA A 24 -12.328 9.889 6.351 1.00 0.00 C ATOM 350 O ALA A 24 -11.729 10.375 5.391 1.00 0.00 O ATOM 351 CB ALA A 24 -14.123 8.160 6.552 1.00 0.00 C ATOM 0 H ALA A 24 -12.503 7.254 8.164 1.00 0.00 H new ATOM 0 HA ALA A 24 -12.285 7.945 5.479 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -14.646 8.640 5.725 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -14.326 7.089 6.537 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -14.470 8.582 7.495 1.00 0.00 H new ATOM 357 N TYR A 25 -12.749 10.614 7.382 1.00 0.00 N ATOM 358 CA TYR A 25 -12.529 12.054 7.445 1.00 0.00 C ATOM 359 C TYR A 25 -11.044 12.383 7.328 1.00 0.00 C ATOM 360 O TYR A 25 -10.671 13.484 6.922 1.00 0.00 O ATOM 361 CB TYR A 25 -13.087 12.619 8.752 1.00 0.00 C ATOM 362 CG TYR A 25 -12.416 13.901 9.192 1.00 0.00 C ATOM 363 CD1 TYR A 25 -12.427 15.028 8.381 1.00 0.00 C ATOM 364 CD2 TYR A 25 -11.773 13.984 10.421 1.00 0.00 C ATOM 365 CE1 TYR A 25 -11.815 16.201 8.779 1.00 0.00 C ATOM 366 CE2 TYR A 25 -11.159 15.153 10.828 1.00 0.00 C ATOM 367 CZ TYR A 25 -11.182 16.258 10.004 1.00 0.00 C ATOM 368 OH TYR A 25 -10.573 17.425 10.405 1.00 0.00 O ATOM 0 H TYR A 25 -13.245 10.228 8.185 1.00 0.00 H new ATOM 0 HA TYR A 25 -13.052 12.514 6.606 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -14.155 12.800 8.633 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -12.976 11.872 9.538 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -12.923 14.987 7.422 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -11.753 13.120 11.069 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -11.832 17.068 8.135 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -10.664 15.201 11.787 1.00 0.00 H new ATOM 0 HH TYR A 25 -10.175 17.298 11.292 1.00 0.00 H new ATOM 378 N ALA A 26 -10.201 11.421 7.687 1.00 0.00 N ATOM 379 CA ALA A 26 -8.756 11.607 7.621 1.00 0.00 C ATOM 380 C ALA A 26 -8.256 11.506 6.184 1.00 0.00 C ATOM 381 O ALA A 26 -7.295 12.176 5.802 1.00 0.00 O ATOM 382 CB ALA A 26 -8.052 10.584 8.500 1.00 0.00 C ATOM 0 H ALA A 26 -10.493 10.505 8.027 1.00 0.00 H new ATOM 0 HA ALA A 26 -8.525 12.606 7.990 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.974 10.734 8.441 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -8.380 10.705 9.533 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -8.297 9.579 8.157 1.00 0.00 H new ATOM 388 N LEU A 27 -8.911 10.666 5.391 1.00 0.00 N ATOM 389 CA LEU A 27 -8.532 10.477 3.995 1.00 0.00 C ATOM 390 C LEU A 27 -8.608 11.793 3.228 1.00 0.00 C ATOM 391 O LEU A 27 -7.758 12.081 2.384 1.00 0.00 O ATOM 392 CB LEU A 27 -9.439 9.436 3.336 1.00 0.00 C ATOM 393 CG LEU A 27 -8.847 8.035 3.177 1.00 0.00 C ATOM 394 CD1 LEU A 27 -9.938 6.980 3.281 1.00 0.00 C ATOM 395 CD2 LEU A 27 -8.110 7.915 1.851 1.00 0.00 C ATOM 0 H LEU A 27 -9.708 10.104 5.691 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.502 10.121 3.968 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -10.354 9.358 3.922 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.723 9.803 2.350 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.132 7.869 3.983 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.498 5.989 3.165 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.421 7.051 4.255 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -10.677 7.143 2.497 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.695 6.912 1.755 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.804 8.101 1.031 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.302 8.646 1.816 1.00 0.00 H new ATOM 407 N PHE A 28 -9.629 12.589 3.527 1.00 0.00 N ATOM 408 CA PHE A 28 -9.815 13.875 2.866 1.00 0.00 C ATOM 409 C PHE A 28 -8.815 14.904 3.387 1.00 0.00 C ATOM 410 O PHE A 28 -8.558 15.919 2.740 1.00 0.00 O ATOM 411 CB PHE A 28 -11.243 14.381 3.081 1.00 0.00 C ATOM 412 CG PHE A 28 -11.408 15.847 2.801 1.00 0.00 C ATOM 413 CD1 PHE A 28 -11.514 16.310 1.499 1.00 0.00 C ATOM 414 CD2 PHE A 28 -11.457 16.763 3.840 1.00 0.00 C ATOM 415 CE1 PHE A 28 -11.665 17.659 1.239 1.00 0.00 C ATOM 416 CE2 PHE A 28 -11.608 18.113 3.586 1.00 0.00 C ATOM 417 CZ PHE A 28 -11.714 18.562 2.284 1.00 0.00 C ATOM 0 H PHE A 28 -10.340 12.366 4.223 1.00 0.00 H new ATOM 0 HA PHE A 28 -9.643 13.735 1.799 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -11.920 13.818 2.438 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -11.540 14.180 4.110 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -11.478 15.609 0.678 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -11.376 16.418 4.860 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -11.745 18.007 0.220 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -11.643 18.816 4.405 1.00 0.00 H new ATOM 0 HZ PHE A 28 -11.835 19.616 2.083 1.00 0.00 H new ATOM 427 N PHE A 29 -8.256 14.634 4.562 1.00 0.00 N ATOM 428 CA PHE A 29 -7.286 15.536 5.172 1.00 0.00 C ATOM 429 C PHE A 29 -5.947 15.470 4.442 1.00 0.00 C ATOM 430 O PHE A 29 -5.399 16.494 4.034 1.00 0.00 O ATOM 431 CB PHE A 29 -7.091 15.187 6.649 1.00 0.00 C ATOM 432 CG PHE A 29 -6.402 16.265 7.434 1.00 0.00 C ATOM 433 CD1 PHE A 29 -5.032 16.448 7.331 1.00 0.00 C ATOM 434 CD2 PHE A 29 -7.123 17.096 8.276 1.00 0.00 C ATOM 435 CE1 PHE A 29 -4.395 17.441 8.052 1.00 0.00 C ATOM 436 CE2 PHE A 29 -6.491 18.090 9.000 1.00 0.00 C ATOM 437 CZ PHE A 29 -5.125 18.262 8.888 1.00 0.00 C ATOM 0 H PHE A 29 -8.458 13.798 5.111 1.00 0.00 H new ATOM 0 HA PHE A 29 -7.673 16.552 5.094 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -8.064 14.987 7.098 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -6.511 14.267 6.723 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -4.455 15.808 6.680 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -8.191 16.966 8.368 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -3.327 17.574 7.961 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -7.065 18.731 9.653 1.00 0.00 H new ATOM 0 HZ PHE A 29 -4.629 19.037 9.453 1.00 0.00 H new ATOM 447 N ARG A 30 -5.427 14.257 4.281 1.00 0.00 N ATOM 448 CA ARG A 30 -4.153 14.057 3.602 1.00 0.00 C ATOM 449 C ARG A 30 -4.275 14.367 2.113 1.00 0.00 C ATOM 450 O ARG A 30 -3.282 14.656 1.446 1.00 0.00 O ATOM 451 CB ARG A 30 -3.668 12.618 3.796 1.00 0.00 C ATOM 452 CG ARG A 30 -4.652 11.572 3.299 1.00 0.00 C ATOM 453 CD ARG A 30 -4.023 10.669 2.250 1.00 0.00 C ATOM 454 NE ARG A 30 -3.783 11.374 0.994 1.00 0.00 N ATOM 455 CZ ARG A 30 -3.419 10.768 -0.131 1.00 0.00 C ATOM 456 NH1 ARG A 30 -3.255 9.452 -0.156 1.00 0.00 N ATOM 457 NH2 ARG A 30 -3.219 11.478 -1.234 1.00 0.00 N ATOM 0 H ARG A 30 -5.868 13.399 4.611 1.00 0.00 H new ATOM 0 HA ARG A 30 -3.426 14.741 4.039 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -2.720 12.490 3.274 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -3.474 12.448 4.855 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -4.999 10.969 4.138 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -5.528 12.066 2.878 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -3.081 10.274 2.630 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -4.676 9.816 2.068 1.00 0.00 H new ATOM 0 HE ARG A 30 -3.901 12.387 0.979 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -3.408 8.903 0.690 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -2.976 8.989 -1.021 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -3.345 12.490 -1.219 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -2.940 11.012 -2.097 1.00 0.00 H new ATOM 471 N ASP A 31 -5.499 14.305 1.600 1.00 0.00 N ATOM 472 CA ASP A 31 -5.751 14.580 0.191 1.00 0.00 C ATOM 473 C ASP A 31 -5.803 16.083 -0.069 1.00 0.00 C ATOM 474 O ASP A 31 -5.226 16.577 -1.039 1.00 0.00 O ATOM 475 CB ASP A 31 -7.063 13.929 -0.251 1.00 0.00 C ATOM 476 CG ASP A 31 -6.840 12.748 -1.175 1.00 0.00 C ATOM 477 OD1 ASP A 31 -6.610 12.974 -2.381 1.00 0.00 O ATOM 478 OD2 ASP A 31 -6.896 11.597 -0.692 1.00 0.00 O ATOM 0 H ASP A 31 -6.332 14.067 2.139 1.00 0.00 H new ATOM 0 HA ASP A 31 -4.930 14.157 -0.388 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -7.616 13.599 0.628 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -7.681 14.671 -0.757 1.00 0.00 H new ATOM 483 N THR A 32 -6.498 16.806 0.804 1.00 0.00 N ATOM 484 CA THR A 32 -6.627 18.251 0.668 1.00 0.00 C ATOM 485 C THR A 32 -5.372 18.964 1.158 1.00 0.00 C ATOM 486 O THR A 32 -4.877 19.885 0.510 1.00 0.00 O ATOM 487 CB THR A 32 -7.843 18.782 1.449 1.00 0.00 C ATOM 488 OG1 THR A 32 -8.999 17.991 1.153 1.00 0.00 O ATOM 489 CG2 THR A 32 -8.117 20.238 1.100 1.00 0.00 C ATOM 0 H THR A 32 -6.980 16.414 1.613 1.00 0.00 H new ATOM 0 HA THR A 32 -6.767 18.457 -0.393 1.00 0.00 H new ATOM 0 HB THR A 32 -7.620 18.715 2.514 1.00 0.00 H new ATOM 0 HG1 THR A 32 -9.774 18.352 1.632 1.00 0.00 H new ATOM 0 HG21 THR A 32 -8.980 20.591 1.664 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.246 20.843 1.353 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.321 20.324 0.033 1.00 0.00 H new ATOM 497 N GLN A 33 -4.861 18.530 2.307 1.00 0.00 N ATOM 498 CA GLN A 33 -3.663 19.128 2.883 1.00 0.00 C ATOM 499 C GLN A 33 -2.658 19.492 1.795 1.00 0.00 C ATOM 500 O GLN A 33 -2.093 20.585 1.799 1.00 0.00 O ATOM 501 CB GLN A 33 -3.021 18.168 3.887 1.00 0.00 C ATOM 502 CG GLN A 33 -1.623 18.582 4.315 1.00 0.00 C ATOM 503 CD GLN A 33 -0.605 17.472 4.138 1.00 0.00 C ATOM 504 OE1 GLN A 33 -0.600 16.495 4.887 1.00 0.00 O ATOM 505 NE2 GLN A 33 0.263 17.618 3.144 1.00 0.00 N ATOM 0 H GLN A 33 -5.258 17.767 2.856 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.956 20.041 3.400 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -3.657 18.100 4.770 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.977 17.171 3.448 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -1.312 19.451 3.735 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -1.643 18.888 5.361 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.222 18.445 2.548 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.971 16.903 2.976 1.00 0.00 H new ATOM 514 N ALA A 34 -2.441 18.568 0.865 1.00 0.00 N ATOM 515 CA ALA A 34 -1.505 18.792 -0.230 1.00 0.00 C ATOM 516 C ALA A 34 -1.902 20.015 -1.049 1.00 0.00 C ATOM 517 O ALA A 34 -1.050 20.801 -1.461 1.00 0.00 O ATOM 518 CB ALA A 34 -1.430 17.560 -1.120 1.00 0.00 C ATOM 0 H ALA A 34 -2.900 17.657 0.848 1.00 0.00 H new ATOM 0 HA ALA A 34 -0.520 18.978 0.198 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.728 17.741 -1.934 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -1.092 16.706 -0.532 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.416 17.349 -1.533 1.00 0.00 H new ATOM 524 N ALA A 35 -3.201 20.169 -1.283 1.00 0.00 N ATOM 525 CA ALA A 35 -3.711 21.298 -2.052 1.00 0.00 C ATOM 526 C ALA A 35 -3.653 22.587 -1.239 1.00 0.00 C ATOM 527 O ALA A 35 -3.613 23.683 -1.798 1.00 0.00 O ATOM 528 CB ALA A 35 -5.136 21.024 -2.510 1.00 0.00 C ATOM 0 H ALA A 35 -3.920 19.526 -0.951 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.077 21.424 -2.930 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.504 21.875 -3.083 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.152 20.131 -3.135 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -5.774 20.869 -1.640 1.00 0.00 H new ATOM 534 N ILE A 36 -3.650 22.448 0.083 1.00 0.00 N ATOM 535 CA ILE A 36 -3.597 23.602 0.971 1.00 0.00 C ATOM 536 C ILE A 36 -2.195 24.198 1.015 1.00 0.00 C ATOM 537 O ILE A 36 -1.996 25.370 0.695 1.00 0.00 O ATOM 538 CB ILE A 36 -4.030 23.230 2.402 1.00 0.00 C ATOM 539 CG1 ILE A 36 -5.395 22.540 2.383 1.00 0.00 C ATOM 540 CG2 ILE A 36 -4.070 24.471 3.282 1.00 0.00 C ATOM 541 CD1 ILE A 36 -6.549 23.490 2.149 1.00 0.00 C ATOM 0 H ILE A 36 -3.684 21.548 0.562 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.290 24.341 0.570 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.300 22.536 2.818 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.398 21.779 1.603 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.546 22.025 3.332 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.378 24.193 4.290 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.079 24.924 3.317 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.782 25.186 2.870 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.485 22.932 2.148 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -6.572 24.237 2.943 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -6.422 23.987 1.187 1.00 0.00 H new ATOM 553 N LYS A 37 -1.223 23.383 1.411 1.00 0.00 N ATOM 554 CA LYS A 37 0.163 23.827 1.494 1.00 0.00 C ATOM 555 C LYS A 37 0.596 24.503 0.197 1.00 0.00 C ATOM 556 O LYS A 37 1.056 25.645 0.204 1.00 0.00 O ATOM 557 CB LYS A 37 1.083 22.642 1.795 1.00 0.00 C ATOM 558 CG LYS A 37 2.130 22.939 2.854 1.00 0.00 C ATOM 559 CD LYS A 37 2.300 21.773 3.814 1.00 0.00 C ATOM 560 CE LYS A 37 3.767 21.423 4.012 1.00 0.00 C ATOM 561 NZ LYS A 37 4.078 21.125 5.438 1.00 0.00 N ATOM 0 H LYS A 37 -1.370 22.410 1.680 1.00 0.00 H new ATOM 0 HA LYS A 37 0.238 24.552 2.304 1.00 0.00 H new ATOM 0 HB2 LYS A 37 0.478 21.797 2.122 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.584 22.339 0.876 1.00 0.00 H new ATOM 0 HG2 LYS A 37 3.083 23.157 2.373 1.00 0.00 H new ATOM 0 HG3 LYS A 37 1.843 23.831 3.411 1.00 0.00 H new ATOM 0 HD2 LYS A 37 1.852 22.024 4.775 1.00 0.00 H new ATOM 0 HD3 LYS A 37 1.766 20.904 3.430 1.00 0.00 H new ATOM 0 HE2 LYS A 37 4.021 20.560 3.397 1.00 0.00 H new ATOM 0 HE3 LYS A 37 4.387 22.251 3.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 5.087 20.891 5.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 3.860 21.957 6.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 3.505 20.318 5.757 1.00 0.00 H new ATOM 575 N GLY A 38 0.445 23.791 -0.916 1.00 0.00 N ATOM 576 CA GLY A 38 0.824 24.340 -2.205 1.00 0.00 C ATOM 577 C GLY A 38 0.418 25.792 -2.359 1.00 0.00 C ATOM 578 O GLY A 38 1.135 26.582 -2.972 1.00 0.00 O ATOM 0 H GLY A 38 0.067 22.844 -0.948 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.903 24.253 -2.330 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.362 23.751 -2.997 1.00 0.00 H new ATOM 582 N GLN A 39 -0.737 26.144 -1.803 1.00 0.00 N ATOM 583 CA GLN A 39 -1.238 27.511 -1.884 1.00 0.00 C ATOM 584 C GLN A 39 -0.804 28.323 -0.668 1.00 0.00 C ATOM 585 O GLN A 39 -0.731 29.550 -0.723 1.00 0.00 O ATOM 586 CB GLN A 39 -2.764 27.512 -1.994 1.00 0.00 C ATOM 587 CG GLN A 39 -3.270 27.401 -3.423 1.00 0.00 C ATOM 588 CD GLN A 39 -4.750 27.709 -3.544 1.00 0.00 C ATOM 589 OE1 GLN A 39 -5.141 28.856 -3.763 1.00 0.00 O ATOM 590 NE2 GLN A 39 -5.582 26.684 -3.400 1.00 0.00 N ATOM 0 H GLN A 39 -1.343 25.502 -1.292 1.00 0.00 H new ATOM 0 HA GLN A 39 -0.816 27.973 -2.776 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -3.163 26.682 -1.411 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -3.152 28.429 -1.550 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -2.707 28.085 -4.058 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -3.081 26.394 -3.794 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -5.214 25.750 -3.220 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -6.589 26.831 -3.470 1.00 0.00 H new ATOM 599 N ASN A 40 -0.518 27.630 0.429 1.00 0.00 N ATOM 600 CA ASN A 40 -0.092 28.287 1.660 1.00 0.00 C ATOM 601 C ASN A 40 0.914 27.425 2.416 1.00 0.00 C ATOM 602 O ASN A 40 0.606 26.827 3.447 1.00 0.00 O ATOM 603 CB ASN A 40 -1.301 28.580 2.550 1.00 0.00 C ATOM 604 CG ASN A 40 -2.611 28.501 1.791 1.00 0.00 C ATOM 605 OD1 ASN A 40 -3.023 29.461 1.139 1.00 0.00 O ATOM 606 ND2 ASN A 40 -3.274 27.353 1.873 1.00 0.00 N ATOM 0 H ASN A 40 -0.573 26.613 0.491 1.00 0.00 H new ATOM 0 HA ASN A 40 0.391 29.227 1.393 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -1.320 27.870 3.377 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -1.196 29.574 2.985 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -4.162 27.241 1.384 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -2.895 26.584 2.425 1.00 0.00 H new ATOM 613 N PRO A 41 2.148 27.360 1.894 1.00 0.00 N ATOM 614 CA PRO A 41 3.226 26.576 2.504 1.00 0.00 C ATOM 615 C PRO A 41 3.708 27.178 3.819 1.00 0.00 C ATOM 616 O PRO A 41 4.317 26.493 4.640 1.00 0.00 O ATOM 617 CB PRO A 41 4.338 26.624 1.454 1.00 0.00 C ATOM 618 CG PRO A 41 4.080 27.874 0.686 1.00 0.00 C ATOM 619 CD PRO A 41 2.586 28.047 0.668 1.00 0.00 C ATOM 0 HA PRO A 41 2.903 25.566 2.756 1.00 0.00 H new ATOM 0 HB2 PRO A 41 5.323 26.642 1.921 1.00 0.00 H new ATOM 0 HB3 PRO A 41 4.309 25.748 0.806 1.00 0.00 H new ATOM 0 HG2 PRO A 41 4.566 28.729 1.156 1.00 0.00 H new ATOM 0 HG3 PRO A 41 4.477 27.799 -0.327 1.00 0.00 H new ATOM 0 HD2 PRO A 41 2.303 29.100 0.675 1.00 0.00 H new ATOM 0 HD3 PRO A 41 2.141 27.603 -0.222 1.00 0.00 H new ATOM 627 N ASN A 42 3.431 28.464 4.013 1.00 0.00 N ATOM 628 CA ASN A 42 3.837 29.158 5.229 1.00 0.00 C ATOM 629 C ASN A 42 3.075 28.627 6.439 1.00 0.00 C ATOM 630 O ASN A 42 3.527 28.759 7.577 1.00 0.00 O ATOM 631 CB ASN A 42 3.602 30.663 5.085 1.00 0.00 C ATOM 632 CG ASN A 42 4.638 31.328 4.199 1.00 0.00 C ATOM 633 OD1 ASN A 42 5.373 30.658 3.474 1.00 0.00 O ATOM 634 ND2 ASN A 42 4.700 32.653 4.254 1.00 0.00 N ATOM 0 H ASN A 42 2.927 29.046 3.344 1.00 0.00 H new ATOM 0 HA ASN A 42 4.901 28.976 5.383 1.00 0.00 H new ATOM 0 HB2 ASN A 42 2.609 30.835 4.670 1.00 0.00 H new ATOM 0 HB3 ASN A 42 3.620 31.127 6.071 1.00 0.00 H new ATOM 0 HD21 ASN A 42 5.377 33.156 3.680 1.00 0.00 H new ATOM 0 HD22 ASN A 42 4.071 33.168 4.870 1.00 0.00 H new ATOM 641 N ALA A 43 1.918 28.026 6.186 1.00 0.00 N ATOM 642 CA ALA A 43 1.094 27.472 7.253 1.00 0.00 C ATOM 643 C ALA A 43 1.787 26.291 7.924 1.00 0.00 C ATOM 644 O ALA A 43 2.958 26.014 7.663 1.00 0.00 O ATOM 645 CB ALA A 43 -0.263 27.051 6.709 1.00 0.00 C ATOM 0 H ALA A 43 1.529 27.910 5.250 1.00 0.00 H new ATOM 0 HA ALA A 43 0.946 28.248 8.004 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.867 26.639 7.517 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.769 27.917 6.283 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.126 26.294 5.936 1.00 0.00 H new ATOM 651 N THR A 44 1.056 25.597 8.792 1.00 0.00 N ATOM 652 CA THR A 44 1.601 24.447 9.502 1.00 0.00 C ATOM 653 C THR A 44 0.542 23.367 9.692 1.00 0.00 C ATOM 654 O THR A 44 -0.621 23.553 9.335 1.00 0.00 O ATOM 655 CB THR A 44 2.160 24.850 10.880 1.00 0.00 C ATOM 656 OG1 THR A 44 1.085 25.174 11.769 1.00 0.00 O ATOM 657 CG2 THR A 44 3.098 26.041 10.756 1.00 0.00 C ATOM 0 H THR A 44 0.085 25.812 9.020 1.00 0.00 H new ATOM 0 HA THR A 44 2.413 24.053 8.890 1.00 0.00 H new ATOM 0 HB THR A 44 2.721 24.006 11.281 1.00 0.00 H new ATOM 0 HG1 THR A 44 1.448 25.427 12.643 1.00 0.00 H new ATOM 0 HG21 THR A 44 3.480 26.307 11.741 1.00 0.00 H new ATOM 0 HG22 THR A 44 3.930 25.782 10.102 1.00 0.00 H new ATOM 0 HG23 THR A 44 2.556 26.888 10.336 1.00 0.00 H new ATOM 665 N PHE A 45 0.952 22.236 10.257 1.00 0.00 N ATOM 666 CA PHE A 45 0.039 21.125 10.494 1.00 0.00 C ATOM 667 C PHE A 45 -1.148 21.568 11.345 1.00 0.00 C ATOM 668 O PHE A 45 -2.273 21.113 11.146 1.00 0.00 O ATOM 669 CB PHE A 45 0.772 19.972 11.183 1.00 0.00 C ATOM 670 CG PHE A 45 -0.061 18.730 11.323 1.00 0.00 C ATOM 671 CD1 PHE A 45 -0.310 17.920 10.227 1.00 0.00 C ATOM 672 CD2 PHE A 45 -0.595 18.372 12.551 1.00 0.00 C ATOM 673 CE1 PHE A 45 -1.077 16.777 10.353 1.00 0.00 C ATOM 674 CE2 PHE A 45 -1.362 17.230 12.683 1.00 0.00 C ATOM 675 CZ PHE A 45 -1.603 16.431 11.583 1.00 0.00 C ATOM 0 H PHE A 45 1.911 22.065 10.559 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.335 20.784 9.529 1.00 0.00 H new ATOM 0 HB2 PHE A 45 1.672 19.734 10.616 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.095 20.297 12.172 1.00 0.00 H new ATOM 0 HD1 PHE A 45 0.100 18.185 9.263 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.409 18.993 13.415 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -1.265 16.155 9.491 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.772 16.963 13.646 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.201 15.538 11.684 1.00 0.00 H new ATOM 685 N GLY A 46 -0.886 22.461 12.296 1.00 0.00 N ATOM 686 CA GLY A 46 -1.941 22.951 13.163 1.00 0.00 C ATOM 687 C GLY A 46 -2.924 23.845 12.433 1.00 0.00 C ATOM 688 O GLY A 46 -4.123 23.812 12.707 1.00 0.00 O ATOM 0 H GLY A 46 0.037 22.853 12.481 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.476 22.104 13.594 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.498 23.504 13.992 1.00 0.00 H new ATOM 692 N GLU A 47 -2.414 24.647 11.504 1.00 0.00 N ATOM 693 CA GLU A 47 -3.256 25.555 10.735 1.00 0.00 C ATOM 694 C GLU A 47 -3.983 24.810 9.618 1.00 0.00 C ATOM 695 O GLU A 47 -5.212 24.804 9.559 1.00 0.00 O ATOM 696 CB GLU A 47 -2.415 26.688 10.143 1.00 0.00 C ATOM 697 CG GLU A 47 -2.339 27.918 11.032 1.00 0.00 C ATOM 698 CD GLU A 47 -3.295 29.012 10.596 1.00 0.00 C ATOM 699 OE1 GLU A 47 -4.356 28.681 10.026 1.00 0.00 O ATOM 700 OE2 GLU A 47 -2.983 30.199 10.827 1.00 0.00 O ATOM 0 H GLU A 47 -1.423 24.686 11.266 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.000 25.978 11.410 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.405 26.321 9.958 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.833 26.973 9.178 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.563 27.633 12.060 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.320 28.306 11.023 1.00 0.00 H new ATOM 707 N VAL A 48 -3.213 24.183 8.735 1.00 0.00 N ATOM 708 CA VAL A 48 -3.782 23.435 7.620 1.00 0.00 C ATOM 709 C VAL A 48 -4.952 22.571 8.079 1.00 0.00 C ATOM 710 O VAL A 48 -5.910 22.361 7.335 1.00 0.00 O ATOM 711 CB VAL A 48 -2.726 22.536 6.951 1.00 0.00 C ATOM 712 CG1 VAL A 48 -3.387 21.556 5.993 1.00 0.00 C ATOM 713 CG2 VAL A 48 -1.687 23.381 6.229 1.00 0.00 C ATOM 0 H VAL A 48 -2.194 24.178 8.770 1.00 0.00 H new ATOM 0 HA VAL A 48 -4.137 24.167 6.895 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.219 21.962 7.727 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -2.625 20.929 5.530 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -4.089 20.928 6.542 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -3.922 22.108 5.220 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.949 22.729 5.762 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -2.176 23.983 5.463 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -1.191 24.037 6.944 1.00 0.00 H new ATOM 723 N SER A 49 -4.867 22.074 9.308 1.00 0.00 N ATOM 724 CA SER A 49 -5.917 21.230 9.866 1.00 0.00 C ATOM 725 C SER A 49 -7.201 22.027 10.074 1.00 0.00 C ATOM 726 O SER A 49 -8.251 21.691 9.524 1.00 0.00 O ATOM 727 CB SER A 49 -5.461 20.621 11.193 1.00 0.00 C ATOM 728 OG SER A 49 -5.504 21.579 12.236 1.00 0.00 O ATOM 0 H SER A 49 -4.082 22.241 9.937 1.00 0.00 H new ATOM 0 HA SER A 49 -6.119 20.427 9.157 1.00 0.00 H new ATOM 0 HB2 SER A 49 -6.099 19.774 11.446 1.00 0.00 H new ATOM 0 HB3 SER A 49 -4.446 20.236 11.090 1.00 0.00 H new ATOM 0 HG SER A 49 -4.824 22.266 12.077 1.00 0.00 H new ATOM 734 N LYS A 50 -7.111 23.085 10.872 1.00 0.00 N ATOM 735 CA LYS A 50 -8.263 23.933 11.154 1.00 0.00 C ATOM 736 C LYS A 50 -9.012 24.277 9.870 1.00 0.00 C ATOM 737 O LYS A 50 -10.227 24.478 9.885 1.00 0.00 O ATOM 738 CB LYS A 50 -7.818 25.217 11.857 1.00 0.00 C ATOM 739 CG LYS A 50 -8.599 25.519 13.124 1.00 0.00 C ATOM 740 CD LYS A 50 -9.924 26.196 12.814 1.00 0.00 C ATOM 741 CE LYS A 50 -10.879 26.119 13.995 1.00 0.00 C ATOM 742 NZ LYS A 50 -11.977 25.141 13.757 1.00 0.00 N ATOM 0 H LYS A 50 -6.250 23.376 11.336 1.00 0.00 H new ATOM 0 HA LYS A 50 -8.936 23.382 11.811 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -6.759 25.138 12.103 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.923 26.054 11.167 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -8.781 24.593 13.670 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -8.005 26.161 13.775 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -9.748 27.240 12.554 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -10.380 25.724 11.944 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -10.327 25.834 14.891 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -11.305 27.105 14.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -12.606 25.118 14.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -12.520 25.426 12.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -11.572 24.195 13.603 1.00 0.00 H new ATOM 756 N ILE A 51 -8.280 24.341 8.763 1.00 0.00 N ATOM 757 CA ILE A 51 -8.877 24.658 7.471 1.00 0.00 C ATOM 758 C ILE A 51 -9.634 23.461 6.906 1.00 0.00 C ATOM 759 O ILE A 51 -10.764 23.592 6.437 1.00 0.00 O ATOM 760 CB ILE A 51 -7.811 25.104 6.453 1.00 0.00 C ATOM 761 CG1 ILE A 51 -7.066 26.337 6.969 1.00 0.00 C ATOM 762 CG2 ILE A 51 -8.454 25.393 5.105 1.00 0.00 C ATOM 763 CD1 ILE A 51 -5.805 26.649 6.194 1.00 0.00 C ATOM 0 H ILE A 51 -7.274 24.178 8.734 1.00 0.00 H new ATOM 0 HA ILE A 51 -9.574 25.479 7.639 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.092 24.295 6.325 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.732 27.199 6.925 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.810 26.185 8.018 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.688 25.707 4.396 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -8.943 24.492 4.735 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -9.192 26.187 5.217 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.329 27.535 6.615 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.120 25.804 6.258 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.056 26.834 5.150 1.00 0.00 H new ATOM 775 N VAL A 52 -9.003 22.292 6.957 1.00 0.00 N ATOM 776 CA VAL A 52 -9.617 21.069 6.453 1.00 0.00 C ATOM 777 C VAL A 52 -10.869 20.715 7.248 1.00 0.00 C ATOM 778 O VAL A 52 -11.841 20.198 6.698 1.00 0.00 O ATOM 779 CB VAL A 52 -8.635 19.884 6.507 1.00 0.00 C ATOM 780 CG1 VAL A 52 -9.316 18.605 6.046 1.00 0.00 C ATOM 781 CG2 VAL A 52 -7.402 20.175 5.665 1.00 0.00 C ATOM 0 H VAL A 52 -8.067 22.166 7.342 1.00 0.00 H new ATOM 0 HA VAL A 52 -9.890 21.257 5.415 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.316 19.745 7.540 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -8.607 17.779 6.091 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -10.165 18.390 6.695 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -9.665 18.728 5.021 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.719 19.327 5.715 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -7.699 20.341 4.630 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -6.903 21.066 6.046 1.00 0.00 H new ATOM 791 N ALA A 53 -10.838 20.997 8.547 1.00 0.00 N ATOM 792 CA ALA A 53 -11.970 20.710 9.418 1.00 0.00 C ATOM 793 C ALA A 53 -13.220 21.452 8.955 1.00 0.00 C ATOM 794 O ALA A 53 -14.339 20.964 9.117 1.00 0.00 O ATOM 795 CB ALA A 53 -11.637 21.081 10.856 1.00 0.00 C ATOM 0 H ALA A 53 -10.041 21.424 9.019 1.00 0.00 H new ATOM 0 HA ALA A 53 -12.174 19.640 9.368 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -12.492 20.861 11.496 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -10.775 20.503 11.191 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -11.405 22.145 10.913 1.00 0.00 H new ATOM 801 N SER A 54 -13.023 22.633 8.379 1.00 0.00 N ATOM 802 CA SER A 54 -14.135 23.444 7.896 1.00 0.00 C ATOM 803 C SER A 54 -14.572 22.993 6.506 1.00 0.00 C ATOM 804 O SER A 54 -15.680 23.295 6.064 1.00 0.00 O ATOM 805 CB SER A 54 -13.741 24.921 7.865 1.00 0.00 C ATOM 806 OG SER A 54 -13.919 25.523 9.136 1.00 0.00 O ATOM 0 H SER A 54 -12.103 23.050 8.235 1.00 0.00 H new ATOM 0 HA SER A 54 -14.972 23.313 8.581 1.00 0.00 H new ATOM 0 HB2 SER A 54 -12.700 25.017 7.556 1.00 0.00 H new ATOM 0 HB3 SER A 54 -14.343 25.446 7.123 1.00 0.00 H new ATOM 0 HG SER A 54 -13.659 26.467 9.090 1.00 0.00 H new ATOM 812 N MET A 55 -13.693 22.269 5.821 1.00 0.00 N ATOM 813 CA MET A 55 -13.988 21.775 4.481 1.00 0.00 C ATOM 814 C MET A 55 -14.800 20.485 4.544 1.00 0.00 C ATOM 815 O MET A 55 -15.837 20.362 3.893 1.00 0.00 O ATOM 816 CB MET A 55 -12.691 21.538 3.705 1.00 0.00 C ATOM 817 CG MET A 55 -11.829 22.783 3.568 1.00 0.00 C ATOM 818 SD MET A 55 -10.140 22.405 3.064 1.00 0.00 S ATOM 819 CE MET A 55 -10.300 22.448 1.281 1.00 0.00 C ATOM 0 H MET A 55 -12.771 22.011 6.172 1.00 0.00 H new ATOM 0 HA MET A 55 -14.579 22.531 3.964 1.00 0.00 H new ATOM 0 HB2 MET A 55 -12.115 20.760 4.206 1.00 0.00 H new ATOM 0 HB3 MET A 55 -12.935 21.164 2.711 1.00 0.00 H new ATOM 0 HG2 MET A 55 -12.280 23.454 2.838 1.00 0.00 H new ATOM 0 HG3 MET A 55 -11.810 23.314 4.520 1.00 0.00 H new ATOM 0 HE1 MET A 55 -9.341 22.712 0.836 1.00 0.00 H new ATOM 0 HE2 MET A 55 -10.610 21.467 0.920 1.00 0.00 H new ATOM 0 HE3 MET A 55 -11.047 23.191 1.001 1.00 0.00 H new ATOM 829 N TRP A 56 -14.321 19.527 5.329 1.00 0.00 N ATOM 830 CA TRP A 56 -15.003 18.247 5.476 1.00 0.00 C ATOM 831 C TRP A 56 -16.411 18.439 6.027 1.00 0.00 C ATOM 832 O TRP A 56 -17.350 17.762 5.609 1.00 0.00 O ATOM 833 CB TRP A 56 -14.203 17.322 6.395 1.00 0.00 C ATOM 834 CG TRP A 56 -14.967 16.106 6.825 1.00 0.00 C ATOM 835 CD1 TRP A 56 -15.791 15.996 7.909 1.00 0.00 C ATOM 836 CD2 TRP A 56 -14.977 14.828 6.180 1.00 0.00 C ATOM 837 NE1 TRP A 56 -16.312 14.727 7.977 1.00 0.00 N ATOM 838 CE2 TRP A 56 -15.828 13.991 6.928 1.00 0.00 C ATOM 839 CE3 TRP A 56 -14.350 14.309 5.044 1.00 0.00 C ATOM 840 CZ2 TRP A 56 -16.066 12.665 6.574 1.00 0.00 C ATOM 841 CZ3 TRP A 56 -14.587 12.994 4.694 1.00 0.00 C ATOM 842 CH2 TRP A 56 -15.440 12.184 5.457 1.00 0.00 C ATOM 0 H TRP A 56 -13.463 19.613 5.874 1.00 0.00 H new ATOM 0 HA TRP A 56 -15.080 17.790 4.490 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -13.294 17.008 5.881 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -13.893 17.879 7.279 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -16.002 16.790 8.610 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -16.955 14.388 8.692 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -13.692 14.925 4.450 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -16.722 12.039 7.161 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -14.107 12.583 3.818 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -15.606 11.160 5.157 1.00 0.00 H new ATOM 853 N ASP A 57 -16.551 19.367 6.968 1.00 0.00 N ATOM 854 CA ASP A 57 -17.846 19.650 7.576 1.00 0.00 C ATOM 855 C ASP A 57 -18.828 20.186 6.539 1.00 0.00 C ATOM 856 O ASP A 57 -20.028 20.277 6.794 1.00 0.00 O ATOM 857 CB ASP A 57 -17.689 20.656 8.717 1.00 0.00 C ATOM 858 CG ASP A 57 -18.411 20.220 9.977 1.00 0.00 C ATOM 859 OD1 ASP A 57 -19.292 19.340 9.882 1.00 0.00 O ATOM 860 OD2 ASP A 57 -18.094 20.759 11.058 1.00 0.00 O ATOM 0 H ASP A 57 -15.784 19.936 7.326 1.00 0.00 H new ATOM 0 HA ASP A 57 -18.243 18.717 7.977 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -16.630 20.790 8.937 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -18.073 21.625 8.398 1.00 0.00 H new ATOM 865 N GLY A 58 -18.308 20.543 5.368 1.00 0.00 N ATOM 866 CA GLY A 58 -19.152 21.067 4.311 1.00 0.00 C ATOM 867 C GLY A 58 -18.979 20.318 3.005 1.00 0.00 C ATOM 868 O GLY A 58 -19.253 20.855 1.931 1.00 0.00 O ATOM 0 H GLY A 58 -17.317 20.478 5.133 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -20.195 21.012 4.622 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -18.921 22.121 4.155 1.00 0.00 H new ATOM 872 N LEU A 59 -18.522 19.074 3.095 1.00 0.00 N ATOM 873 CA LEU A 59 -18.311 18.249 1.910 1.00 0.00 C ATOM 874 C LEU A 59 -19.603 17.553 1.494 1.00 0.00 C ATOM 875 O LEU A 59 -20.452 17.246 2.330 1.00 0.00 O ATOM 876 CB LEU A 59 -17.221 17.209 2.177 1.00 0.00 C ATOM 877 CG LEU A 59 -16.037 17.215 1.210 1.00 0.00 C ATOM 878 CD1 LEU A 59 -14.918 18.096 1.741 1.00 0.00 C ATOM 879 CD2 LEU A 59 -15.535 15.798 0.973 1.00 0.00 C ATOM 0 H LEU A 59 -18.290 18.614 3.976 1.00 0.00 H new ATOM 0 HA LEU A 59 -17.993 18.900 1.096 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -16.840 17.362 3.187 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -17.678 16.219 2.155 1.00 0.00 H new ATOM 0 HG LEU A 59 -16.373 17.625 0.258 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -14.084 18.088 1.039 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -15.283 19.116 1.859 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -14.583 17.717 2.707 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -14.692 15.821 0.282 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -15.216 15.362 1.920 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -16.337 15.195 0.547 1.00 0.00 H new ATOM 891 N GLY A 60 -19.743 17.305 0.195 1.00 0.00 N ATOM 892 CA GLY A 60 -20.933 16.645 -0.309 1.00 0.00 C ATOM 893 C GLY A 60 -21.119 15.258 0.274 1.00 0.00 C ATOM 894 O GLY A 60 -20.145 14.587 0.616 1.00 0.00 O ATOM 0 H GLY A 60 -19.054 17.549 -0.516 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -21.807 17.253 -0.077 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -20.873 16.574 -1.395 1.00 0.00 H new ATOM 898 N GLU A 61 -22.371 14.828 0.389 1.00 0.00 N ATOM 899 CA GLU A 61 -22.680 13.513 0.937 1.00 0.00 C ATOM 900 C GLU A 61 -22.034 12.410 0.104 1.00 0.00 C ATOM 901 O GLU A 61 -21.719 11.336 0.614 1.00 0.00 O ATOM 902 CB GLU A 61 -24.194 13.302 0.995 1.00 0.00 C ATOM 903 CG GLU A 61 -24.724 13.079 2.402 1.00 0.00 C ATOM 904 CD GLU A 61 -26.235 13.181 2.479 1.00 0.00 C ATOM 905 OE1 GLU A 61 -26.912 12.167 2.206 1.00 0.00 O ATOM 906 OE2 GLU A 61 -26.741 14.273 2.812 1.00 0.00 O ATOM 0 H GLU A 61 -23.188 15.371 0.110 1.00 0.00 H new ATOM 0 HA GLU A 61 -22.275 13.466 1.948 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -24.690 14.171 0.562 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -24.457 12.444 0.377 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -24.412 12.095 2.752 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -24.279 13.813 3.074 1.00 0.00 H new ATOM 913 N GLU A 62 -21.840 12.686 -1.183 1.00 0.00 N ATOM 914 CA GLU A 62 -21.233 11.717 -2.087 1.00 0.00 C ATOM 915 C GLU A 62 -19.723 11.647 -1.877 1.00 0.00 C ATOM 916 O GLU A 62 -19.089 10.639 -2.187 1.00 0.00 O ATOM 917 CB GLU A 62 -21.540 12.081 -3.541 1.00 0.00 C ATOM 918 CG GLU A 62 -21.478 10.897 -4.492 1.00 0.00 C ATOM 919 CD GLU A 62 -22.797 10.644 -5.195 1.00 0.00 C ATOM 920 OE1 GLU A 62 -23.070 11.322 -6.208 1.00 0.00 O ATOM 921 OE2 GLU A 62 -23.557 9.768 -4.733 1.00 0.00 O ATOM 0 H GLU A 62 -22.094 13.571 -1.621 1.00 0.00 H new ATOM 0 HA GLU A 62 -21.658 10.738 -1.867 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -22.534 12.526 -3.593 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -20.833 12.841 -3.874 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -20.702 11.074 -5.237 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -21.189 10.005 -3.937 1.00 0.00 H new ATOM 928 N GLN A 63 -19.155 12.726 -1.349 1.00 0.00 N ATOM 929 CA GLN A 63 -17.720 12.789 -1.098 1.00 0.00 C ATOM 930 C GLN A 63 -17.380 12.202 0.268 1.00 0.00 C ATOM 931 O GLN A 63 -16.342 11.564 0.441 1.00 0.00 O ATOM 932 CB GLN A 63 -17.228 14.235 -1.182 1.00 0.00 C ATOM 933 CG GLN A 63 -17.373 14.847 -2.566 1.00 0.00 C ATOM 934 CD GLN A 63 -17.298 16.361 -2.546 1.00 0.00 C ATOM 935 OE1 GLN A 63 -18.315 17.042 -2.417 1.00 0.00 O ATOM 936 NE2 GLN A 63 -16.090 16.896 -2.673 1.00 0.00 N ATOM 0 H GLN A 63 -19.666 13.569 -1.087 1.00 0.00 H new ATOM 0 HA GLN A 63 -17.217 12.197 -1.863 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -17.783 14.841 -0.466 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -16.180 14.271 -0.886 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -16.589 14.457 -3.215 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -18.326 14.540 -2.997 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -15.274 16.293 -2.778 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -15.978 17.910 -2.666 1.00 0.00 H new ATOM 945 N LYS A 64 -18.262 12.424 1.238 1.00 0.00 N ATOM 946 CA LYS A 64 -18.057 11.917 2.589 1.00 0.00 C ATOM 947 C LYS A 64 -18.186 10.398 2.626 1.00 0.00 C ATOM 948 O LYS A 64 -17.298 9.703 3.120 1.00 0.00 O ATOM 949 CB LYS A 64 -19.066 12.549 3.551 1.00 0.00 C ATOM 950 CG LYS A 64 -18.616 13.886 4.113 1.00 0.00 C ATOM 951 CD LYS A 64 -19.531 14.358 5.231 1.00 0.00 C ATOM 952 CE LYS A 64 -18.999 15.620 5.892 1.00 0.00 C ATOM 953 NZ LYS A 64 -19.765 15.968 7.120 1.00 0.00 N ATOM 0 H LYS A 64 -19.126 12.952 1.113 1.00 0.00 H new ATOM 0 HA LYS A 64 -17.048 12.186 2.902 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -20.015 12.684 3.032 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -19.249 11.861 4.376 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -17.596 13.799 4.488 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -18.600 14.630 3.316 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -20.527 14.548 4.831 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -19.632 13.570 5.977 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -17.948 15.481 6.147 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -19.049 16.449 5.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -19.372 16.834 7.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -20.763 16.125 6.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -19.696 15.188 7.805 1.00 0.00 H new ATOM 967 N GLN A 65 -19.295 9.889 2.100 1.00 0.00 N ATOM 968 CA GLN A 65 -19.538 8.452 2.073 1.00 0.00 C ATOM 969 C GLN A 65 -18.389 7.718 1.391 1.00 0.00 C ATOM 970 O GLN A 65 -17.812 6.787 1.953 1.00 0.00 O ATOM 971 CB GLN A 65 -20.852 8.149 1.351 1.00 0.00 C ATOM 972 CG GLN A 65 -20.980 8.842 0.004 1.00 0.00 C ATOM 973 CD GLN A 65 -20.691 7.915 -1.159 1.00 0.00 C ATOM 974 OE1 GLN A 65 -19.717 8.102 -1.890 1.00 0.00 O ATOM 975 NE2 GLN A 65 -21.537 6.907 -1.338 1.00 0.00 N ATOM 0 H GLN A 65 -20.040 10.451 1.687 1.00 0.00 H new ATOM 0 HA GLN A 65 -19.608 8.102 3.103 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -20.937 7.072 1.206 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -21.684 8.452 1.986 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -21.988 9.244 -0.099 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -20.294 9.688 -0.032 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -22.331 6.790 -0.708 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -21.393 6.250 -2.105 1.00 0.00 H new ATOM 984 N VAL A 66 -18.060 8.144 0.175 1.00 0.00 N ATOM 985 CA VAL A 66 -16.978 7.528 -0.584 1.00 0.00 C ATOM 986 C VAL A 66 -15.696 7.465 0.238 1.00 0.00 C ATOM 987 O VAL A 66 -14.921 6.515 0.127 1.00 0.00 O ATOM 988 CB VAL A 66 -16.701 8.296 -1.890 1.00 0.00 C ATOM 989 CG1 VAL A 66 -16.412 9.760 -1.597 1.00 0.00 C ATOM 990 CG2 VAL A 66 -15.548 7.657 -2.649 1.00 0.00 C ATOM 0 H VAL A 66 -18.527 8.913 -0.305 1.00 0.00 H new ATOM 0 HA VAL A 66 -17.299 6.515 -0.828 1.00 0.00 H new ATOM 0 HB VAL A 66 -17.591 8.245 -2.517 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -16.219 10.287 -2.531 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -17.272 10.208 -1.099 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -15.538 9.836 -0.950 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -15.366 8.212 -3.569 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -14.651 7.675 -2.030 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -15.800 6.625 -2.892 1.00 0.00 H new ATOM 1000 N TYR A 67 -15.479 8.483 1.063 1.00 0.00 N ATOM 1001 CA TYR A 67 -14.289 8.546 1.903 1.00 0.00 C ATOM 1002 C TYR A 67 -14.324 7.463 2.978 1.00 0.00 C ATOM 1003 O TYR A 67 -13.285 6.948 3.391 1.00 0.00 O ATOM 1004 CB TYR A 67 -14.171 9.924 2.556 1.00 0.00 C ATOM 1005 CG TYR A 67 -13.458 10.942 1.695 1.00 0.00 C ATOM 1006 CD1 TYR A 67 -12.239 10.644 1.099 1.00 0.00 C ATOM 1007 CD2 TYR A 67 -14.002 12.202 1.479 1.00 0.00 C ATOM 1008 CE1 TYR A 67 -11.583 11.572 0.312 1.00 0.00 C ATOM 1009 CE2 TYR A 67 -13.354 13.135 0.693 1.00 0.00 C ATOM 1010 CZ TYR A 67 -12.145 12.815 0.112 1.00 0.00 C ATOM 1011 OH TYR A 67 -11.495 13.742 -0.671 1.00 0.00 O ATOM 0 H TYR A 67 -16.112 9.276 1.168 1.00 0.00 H new ATOM 0 HA TYR A 67 -13.419 8.377 1.269 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -15.170 10.293 2.789 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -13.639 9.824 3.502 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -11.796 9.671 1.253 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -14.948 12.456 1.934 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -10.636 11.325 -0.144 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -13.792 14.109 0.534 1.00 0.00 H new ATOM 0 HH TYR A 67 -12.116 14.462 -0.908 1.00 0.00 H new ATOM 1021 N LYS A 68 -15.527 7.123 3.427 1.00 0.00 N ATOM 1022 CA LYS A 68 -15.701 6.101 4.452 1.00 0.00 C ATOM 1023 C LYS A 68 -15.472 4.708 3.876 1.00 0.00 C ATOM 1024 O LYS A 68 -14.773 3.886 4.470 1.00 0.00 O ATOM 1025 CB LYS A 68 -17.104 6.190 5.057 1.00 0.00 C ATOM 1026 CG LYS A 68 -17.410 7.536 5.691 1.00 0.00 C ATOM 1027 CD LYS A 68 -17.378 7.458 7.208 1.00 0.00 C ATOM 1028 CE LYS A 68 -18.749 7.726 7.809 1.00 0.00 C ATOM 1029 NZ LYS A 68 -18.669 8.019 9.266 1.00 0.00 N ATOM 0 H LYS A 68 -16.397 7.541 3.097 1.00 0.00 H new ATOM 0 HA LYS A 68 -14.963 6.277 5.234 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -17.840 5.989 4.278 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -17.216 5.410 5.810 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -16.685 8.274 5.348 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -18.392 7.878 5.364 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -17.031 6.471 7.515 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -16.662 8.182 7.596 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -19.213 8.568 7.294 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -19.392 6.860 7.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -19.624 8.196 9.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -18.250 7.206 9.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -18.077 8.860 9.419 1.00 0.00 H new ATOM 1043 N LYS A 69 -16.063 4.448 2.715 1.00 0.00 N ATOM 1044 CA LYS A 69 -15.921 3.155 2.056 1.00 0.00 C ATOM 1045 C LYS A 69 -14.459 2.867 1.732 1.00 0.00 C ATOM 1046 O LYS A 69 -14.000 1.730 1.842 1.00 0.00 O ATOM 1047 CB LYS A 69 -16.755 3.119 0.773 1.00 0.00 C ATOM 1048 CG LYS A 69 -18.248 2.993 1.022 1.00 0.00 C ATOM 1049 CD LYS A 69 -18.854 4.317 1.459 1.00 0.00 C ATOM 1050 CE LYS A 69 -20.372 4.241 1.521 1.00 0.00 C ATOM 1051 NZ LYS A 69 -20.925 5.092 2.611 1.00 0.00 N ATOM 0 H LYS A 69 -16.645 5.116 2.210 1.00 0.00 H new ATOM 0 HA LYS A 69 -16.282 2.386 2.739 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -16.566 4.027 0.201 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -16.426 2.281 0.159 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -18.742 2.648 0.113 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -18.428 2.239 1.788 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -18.462 4.592 2.438 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -18.556 5.102 0.764 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -20.791 4.557 0.566 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -20.678 3.207 1.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -21.857 5.456 2.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -21.022 4.526 3.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -20.282 5.890 2.789 1.00 0.00 H new ATOM 1065 N LYS A 70 -13.730 3.904 1.333 1.00 0.00 N ATOM 1066 CA LYS A 70 -12.319 3.764 0.996 1.00 0.00 C ATOM 1067 C LYS A 70 -11.500 3.386 2.226 1.00 0.00 C ATOM 1068 O LYS A 70 -10.484 2.698 2.122 1.00 0.00 O ATOM 1069 CB LYS A 70 -11.785 5.066 0.396 1.00 0.00 C ATOM 1070 CG LYS A 70 -12.230 5.304 -1.037 1.00 0.00 C ATOM 1071 CD LYS A 70 -11.291 6.251 -1.764 1.00 0.00 C ATOM 1072 CE LYS A 70 -12.005 7.523 -2.194 1.00 0.00 C ATOM 1073 NZ LYS A 70 -12.549 8.274 -1.029 1.00 0.00 N ATOM 0 H LYS A 70 -14.094 4.852 1.235 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.225 2.966 0.259 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -12.114 5.902 1.013 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.696 5.053 0.432 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.272 4.353 -1.568 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -13.239 5.716 -1.042 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -10.453 6.505 -1.114 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -10.875 5.752 -2.639 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -11.313 8.159 -2.745 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -12.818 7.271 -2.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -13.057 9.116 -1.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -13.203 7.664 -0.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -11.767 8.566 -0.409 1.00 0.00 H new ATOM 1087 N THR A 71 -11.951 3.837 3.393 1.00 0.00 N ATOM 1088 CA THR A 71 -11.260 3.546 4.643 1.00 0.00 C ATOM 1089 C THR A 71 -11.169 2.043 4.883 1.00 0.00 C ATOM 1090 O THR A 71 -10.100 1.520 5.195 1.00 0.00 O ATOM 1091 CB THR A 71 -11.969 4.204 5.842 1.00 0.00 C ATOM 1092 OG1 THR A 71 -12.194 5.593 5.576 1.00 0.00 O ATOM 1093 CG2 THR A 71 -11.140 4.053 7.109 1.00 0.00 C ATOM 0 H THR A 71 -12.792 4.405 3.498 1.00 0.00 H new ATOM 0 HA THR A 71 -10.255 3.958 4.553 1.00 0.00 H new ATOM 0 HB THR A 71 -12.926 3.703 5.990 1.00 0.00 H new ATOM 0 HG1 THR A 71 -12.741 5.687 4.768 1.00 0.00 H new ATOM 0 HG21 THR A 71 -11.660 4.525 7.943 1.00 0.00 H new ATOM 0 HG22 THR A 71 -10.995 2.994 7.325 1.00 0.00 H new ATOM 0 HG23 THR A 71 -10.171 4.531 6.969 1.00 0.00 H new ATOM 1101 N GLU A 72 -12.297 1.355 4.735 1.00 0.00 N ATOM 1102 CA GLU A 72 -12.342 -0.088 4.937 1.00 0.00 C ATOM 1103 C GLU A 72 -11.591 -0.817 3.826 1.00 0.00 C ATOM 1104 O GLU A 72 -10.933 -1.828 4.067 1.00 0.00 O ATOM 1105 CB GLU A 72 -13.792 -0.573 4.990 1.00 0.00 C ATOM 1106 CG GLU A 72 -14.485 -0.276 6.309 1.00 0.00 C ATOM 1107 CD GLU A 72 -14.947 -1.532 7.022 1.00 0.00 C ATOM 1108 OE1 GLU A 72 -15.503 -2.425 6.348 1.00 0.00 O ATOM 1109 OE2 GLU A 72 -14.753 -1.622 8.252 1.00 0.00 O ATOM 0 H GLU A 72 -13.191 1.773 4.476 1.00 0.00 H new ATOM 0 HA GLU A 72 -11.857 -0.311 5.887 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -14.353 -0.105 4.181 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -13.813 -1.648 4.812 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -13.803 0.275 6.957 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -15.344 0.370 6.126 1.00 0.00 H new ATOM 1116 N ALA A 73 -11.695 -0.294 2.608 1.00 0.00 N ATOM 1117 CA ALA A 73 -11.026 -0.893 1.460 1.00 0.00 C ATOM 1118 C ALA A 73 -9.512 -0.743 1.568 1.00 0.00 C ATOM 1119 O ALA A 73 -8.759 -1.538 1.007 1.00 0.00 O ATOM 1120 CB ALA A 73 -11.530 -0.265 0.169 1.00 0.00 C ATOM 0 H ALA A 73 -12.236 0.543 2.391 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.260 -1.958 1.448 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -11.022 -0.722 -0.680 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.604 -0.428 0.080 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -11.326 0.806 0.181 1.00 0.00 H new ATOM 1126 N ALA A 74 -9.074 0.281 2.292 1.00 0.00 N ATOM 1127 CA ALA A 74 -7.650 0.534 2.474 1.00 0.00 C ATOM 1128 C ALA A 74 -7.126 -0.156 3.729 1.00 0.00 C ATOM 1129 O ALA A 74 -5.947 -0.500 3.814 1.00 0.00 O ATOM 1130 CB ALA A 74 -7.384 2.030 2.542 1.00 0.00 C ATOM 0 H ALA A 74 -9.685 0.949 2.762 1.00 0.00 H new ATOM 0 HA ALA A 74 -7.120 0.121 1.616 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -6.317 2.204 2.678 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -7.713 2.501 1.616 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -7.931 2.459 3.381 1.00 0.00 H new ATOM 1136 N LYS A 75 -8.009 -0.355 4.701 1.00 0.00 N ATOM 1137 CA LYS A 75 -7.636 -1.005 5.952 1.00 0.00 C ATOM 1138 C LYS A 75 -7.541 -2.517 5.773 1.00 0.00 C ATOM 1139 O LYS A 75 -6.492 -3.116 6.012 1.00 0.00 O ATOM 1140 CB LYS A 75 -8.654 -0.674 7.046 1.00 0.00 C ATOM 1141 CG LYS A 75 -8.702 -1.700 8.164 1.00 0.00 C ATOM 1142 CD LYS A 75 -8.685 -1.037 9.531 1.00 0.00 C ATOM 1143 CE LYS A 75 -9.898 -0.141 9.730 1.00 0.00 C ATOM 1144 NZ LYS A 75 -9.506 1.271 9.997 1.00 0.00 N ATOM 0 H LYS A 75 -8.988 -0.075 4.647 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.657 -0.630 6.249 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.415 0.301 7.470 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.644 -0.592 6.597 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.602 -2.306 8.064 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.851 -2.376 8.076 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.665 -1.802 10.307 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -7.774 -0.448 9.640 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -10.529 -0.181 8.842 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -10.494 -0.516 10.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -10.360 1.850 10.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -8.925 1.313 10.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -8.959 1.637 9.192 1.00 0.00 H new ATOM 1158 N LYS A 76 -8.642 -3.128 5.350 1.00 0.00 N ATOM 1159 CA LYS A 76 -8.683 -4.570 5.135 1.00 0.00 C ATOM 1160 C LYS A 76 -7.561 -5.013 4.202 1.00 0.00 C ATOM 1161 O LYS A 76 -6.972 -6.077 4.387 1.00 0.00 O ATOM 1162 CB LYS A 76 -10.037 -4.982 4.554 1.00 0.00 C ATOM 1163 CG LYS A 76 -10.906 -5.758 5.528 1.00 0.00 C ATOM 1164 CD LYS A 76 -12.281 -6.041 4.945 1.00 0.00 C ATOM 1165 CE LYS A 76 -13.309 -5.029 5.426 1.00 0.00 C ATOM 1166 NZ LYS A 76 -14.688 -5.592 5.419 1.00 0.00 N ATOM 0 H LYS A 76 -9.519 -2.647 5.149 1.00 0.00 H new ATOM 0 HA LYS A 76 -8.545 -5.060 6.099 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.573 -4.088 4.235 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -9.871 -5.590 3.664 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -10.417 -6.698 5.783 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -11.012 -5.192 6.454 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -12.228 -6.018 3.857 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -12.598 -7.045 5.227 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -13.054 -4.705 6.435 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -13.274 -4.145 4.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -15.359 -4.871 5.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -14.941 -5.878 4.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -14.728 -6.420 6.047 1.00 0.00 H new ATOM 1180 N GLU A 77 -7.271 -4.189 3.200 1.00 0.00 N ATOM 1181 CA GLU A 77 -6.219 -4.498 2.238 1.00 0.00 C ATOM 1182 C GLU A 77 -4.839 -4.317 2.865 1.00 0.00 C ATOM 1183 O GLU A 77 -3.988 -5.203 2.784 1.00 0.00 O ATOM 1184 CB GLU A 77 -6.350 -3.606 1.002 1.00 0.00 C ATOM 1185 CG GLU A 77 -5.545 -2.320 1.090 1.00 0.00 C ATOM 1186 CD GLU A 77 -5.582 -1.519 -0.197 1.00 0.00 C ATOM 1187 OE1 GLU A 77 -6.574 -1.643 -0.945 1.00 0.00 O ATOM 1188 OE2 GLU A 77 -4.618 -0.768 -0.455 1.00 0.00 O ATOM 0 H GLU A 77 -7.749 -3.303 3.033 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.330 -5.540 1.939 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.028 -4.167 0.124 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -7.401 -3.357 0.854 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -5.932 -1.709 1.905 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -4.510 -2.560 1.335 1.00 0.00 H new ATOM 1195 N TYR A 78 -4.626 -3.164 3.488 1.00 0.00 N ATOM 1196 CA TYR A 78 -3.349 -2.865 4.126 1.00 0.00 C ATOM 1197 C TYR A 78 -2.793 -4.096 4.836 1.00 0.00 C ATOM 1198 O TYR A 78 -1.589 -4.354 4.805 1.00 0.00 O ATOM 1199 CB TYR A 78 -3.510 -1.717 5.124 1.00 0.00 C ATOM 1200 CG TYR A 78 -2.345 -1.575 6.077 1.00 0.00 C ATOM 1201 CD1 TYR A 78 -1.044 -1.463 5.604 1.00 0.00 C ATOM 1202 CD2 TYR A 78 -2.547 -1.553 7.452 1.00 0.00 C ATOM 1203 CE1 TYR A 78 0.023 -1.334 6.472 1.00 0.00 C ATOM 1204 CE2 TYR A 78 -1.486 -1.424 8.327 1.00 0.00 C ATOM 1205 CZ TYR A 78 -0.203 -1.315 7.833 1.00 0.00 C ATOM 1206 OH TYR A 78 0.857 -1.186 8.700 1.00 0.00 O ATOM 0 H TYR A 78 -5.320 -2.421 3.565 1.00 0.00 H new ATOM 0 HA TYR A 78 -2.645 -2.567 3.349 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -3.635 -0.784 4.575 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -4.422 -1.872 5.700 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -0.863 -1.477 4.539 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -3.550 -1.638 7.843 1.00 0.00 H new ATOM 0 HE1 TYR A 78 1.029 -1.248 6.087 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -1.660 -1.409 9.393 1.00 0.00 H new ATOM 0 HH TYR A 78 0.527 -1.189 9.623 1.00 0.00 H new ATOM 1216 N LEU A 79 -3.679 -4.853 5.475 1.00 0.00 N ATOM 1217 CA LEU A 79 -3.279 -6.058 6.192 1.00 0.00 C ATOM 1218 C LEU A 79 -2.797 -7.134 5.224 1.00 0.00 C ATOM 1219 O LEU A 79 -1.759 -7.759 5.441 1.00 0.00 O ATOM 1220 CB LEU A 79 -4.447 -6.591 7.024 1.00 0.00 C ATOM 1221 CG LEU A 79 -5.242 -5.548 7.811 1.00 0.00 C ATOM 1222 CD1 LEU A 79 -6.470 -6.181 8.447 1.00 0.00 C ATOM 1223 CD2 LEU A 79 -4.365 -4.898 8.872 1.00 0.00 C ATOM 0 H LEU A 79 -4.679 -4.653 5.511 1.00 0.00 H new ATOM 0 HA LEU A 79 -2.455 -5.799 6.857 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.133 -7.114 6.358 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.060 -7.329 7.726 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.575 -4.774 7.119 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -7.023 -5.424 9.003 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -7.109 -6.599 7.669 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -6.160 -6.975 9.126 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.947 -4.159 9.422 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.002 -5.660 9.561 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.517 -4.409 8.393 1.00 0.00 H new