USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=11 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=0.000886 USER MOD Single : A 25 TYR OH : rot 180:sc= -0.418 USER MOD Single : A 32 THR OG1 : rot -169:sc= 0.645 USER MOD Single : A 33 GLN : amide:sc= -0.155 X(o=-0.15,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -5.66! C(o=-5.7!,f=-8.3!) USER MOD Single : A 40 ASN : amide:sc= -1.22 K(o=-1.2,f=-2) USER MOD Single : A 42 ASN : amide:sc= -0.321 X(o=-0.32,f=-0.062) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot -70:sc= 0.815! 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 159:sc= -0.712 (180deg=-1.6) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -1.05 K(o=-1.1,f=-0.41) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= -0.0614 (180deg=-0.0614) USER MOD Single : A 69 LYS NZ :NH3+ 151:sc= 0 (180deg=-0.521) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 71:sc= 0.0636 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 -3.608 2.970 6.731 1.00 0.00 N ATOM 307 CA PRO A 21 -4.499 3.975 6.143 1.00 0.00 C ATOM 308 C PRO A 21 -5.294 4.735 7.200 1.00 0.00 C ATOM 309 O PRO A 21 -5.667 4.175 8.231 1.00 0.00 O ATOM 310 CB PRO A 21 -5.436 3.146 5.261 1.00 0.00 C ATOM 311 CG PRO A 21 -5.434 1.790 5.877 1.00 0.00 C ATOM 312 CD PRO A 21 -4.056 1.596 6.447 1.00 0.00 C ATOM 0 HA PRO A 21 -3.947 4.741 5.599 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -6.440 3.570 5.241 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -5.083 3.113 4.230 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -6.193 1.714 6.656 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -5.661 1.024 5.135 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -4.077 0.985 7.350 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -3.395 1.096 5.739 1.00 0.00 H new ATOM 320 N VAL A 22 -5.551 6.012 6.936 1.00 0.00 N ATOM 321 CA VAL A 22 -6.303 6.848 7.864 1.00 0.00 C ATOM 322 C VAL A 22 -7.803 6.607 7.729 1.00 0.00 C ATOM 323 O VAL A 22 -8.252 5.931 6.803 1.00 0.00 O ATOM 324 CB VAL A 22 -6.012 8.343 7.636 1.00 0.00 C ATOM 325 CG1 VAL A 22 -4.515 8.583 7.516 1.00 0.00 C ATOM 326 CG2 VAL A 22 -6.742 8.844 6.399 1.00 0.00 C ATOM 0 H VAL A 22 -5.249 6.490 6.087 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.982 6.573 8.869 1.00 0.00 H new ATOM 0 HB VAL A 22 -6.377 8.903 8.497 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.328 9.645 7.355 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -4.020 8.262 8.433 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -4.122 8.014 6.674 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.526 9.902 6.252 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -6.409 8.281 5.527 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.816 8.708 6.530 1.00 0.00 H new ATOM 336 N SER A 23 -8.572 7.164 8.658 1.00 0.00 N ATOM 337 CA SER A 23 -10.022 7.007 8.645 1.00 0.00 C ATOM 338 C SER A 23 -10.631 7.694 7.426 1.00 0.00 C ATOM 339 O SER A 23 -9.928 8.036 6.476 1.00 0.00 O ATOM 340 CB SER A 23 -10.630 7.582 9.925 1.00 0.00 C ATOM 341 OG SER A 23 -11.754 6.826 10.340 1.00 0.00 O ATOM 0 H SER A 23 -8.216 7.728 9.429 1.00 0.00 H new ATOM 0 HA SER A 23 -10.247 5.942 8.591 1.00 0.00 H new ATOM 0 HB2 SER A 23 -9.880 7.589 10.716 1.00 0.00 H new ATOM 0 HB3 SER A 23 -10.926 8.618 9.757 1.00 0.00 H new ATOM 0 HG SER A 23 -12.123 7.213 11.161 1.00 0.00 H new ATOM 347 N ALA A 24 -11.945 7.892 7.462 1.00 0.00 N ATOM 348 CA ALA A 24 -12.650 8.538 6.362 1.00 0.00 C ATOM 349 C ALA A 24 -12.362 10.035 6.330 1.00 0.00 C ATOM 350 O ALA A 24 -11.823 10.553 5.352 1.00 0.00 O ATOM 351 CB ALA A 24 -14.147 8.289 6.476 1.00 0.00 C ATOM 0 H ALA A 24 -12.542 7.614 8.241 1.00 0.00 H new ATOM 0 HA ALA A 24 -12.291 8.105 5.428 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -14.661 8.777 5.648 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -14.341 7.217 6.442 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -14.512 8.694 7.420 1.00 0.00 H new ATOM 357 N TYR A 25 -12.726 10.726 7.405 1.00 0.00 N ATOM 358 CA TYR A 25 -12.509 12.165 7.499 1.00 0.00 C ATOM 359 C TYR A 25 -11.029 12.504 7.347 1.00 0.00 C ATOM 360 O TYR A 25 -10.672 13.623 6.982 1.00 0.00 O ATOM 361 CB TYR A 25 -13.031 12.695 8.835 1.00 0.00 C ATOM 362 CG TYR A 25 -12.422 14.018 9.242 1.00 0.00 C ATOM 363 CD1 TYR A 25 -12.296 15.057 8.328 1.00 0.00 C ATOM 364 CD2 TYR A 25 -11.974 14.229 10.540 1.00 0.00 C ATOM 365 CE1 TYR A 25 -11.740 16.267 8.695 1.00 0.00 C ATOM 366 CE2 TYR A 25 -11.418 15.437 10.916 1.00 0.00 C ATOM 367 CZ TYR A 25 -11.303 16.452 9.990 1.00 0.00 C ATOM 368 OH TYR A 25 -10.749 17.657 10.359 1.00 0.00 O ATOM 0 H TYR A 25 -13.173 10.313 8.224 1.00 0.00 H new ATOM 0 HA TYR A 25 -13.058 12.643 6.687 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -14.114 12.807 8.774 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -12.830 11.958 9.612 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -12.639 14.916 7.314 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -12.062 13.436 11.267 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -11.648 17.064 7.972 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -11.075 15.585 11.929 1.00 0.00 H new ATOM 0 HH TYR A 25 -10.494 17.624 11.305 1.00 0.00 H new ATOM 378 N ALA A 26 -10.173 11.527 7.631 1.00 0.00 N ATOM 379 CA ALA A 26 -8.732 11.720 7.524 1.00 0.00 C ATOM 380 C ALA A 26 -8.269 11.606 6.076 1.00 0.00 C ATOM 381 O ALA A 26 -7.430 12.383 5.619 1.00 0.00 O ATOM 382 CB ALA A 26 -7.999 10.710 8.395 1.00 0.00 C ATOM 0 H ALA A 26 -10.453 10.595 7.937 1.00 0.00 H new ATOM 0 HA ALA A 26 -8.498 12.725 7.875 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.924 10.865 8.306 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -8.299 10.840 9.435 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -8.248 9.700 8.069 1.00 0.00 H new ATOM 388 N LEU A 27 -8.820 10.633 5.358 1.00 0.00 N ATOM 389 CA LEU A 27 -8.463 10.417 3.960 1.00 0.00 C ATOM 390 C LEU A 27 -8.574 11.713 3.163 1.00 0.00 C ATOM 391 O LEU A 27 -7.804 11.950 2.232 1.00 0.00 O ATOM 392 CB LEU A 27 -9.364 9.347 3.342 1.00 0.00 C ATOM 393 CG LEU A 27 -8.762 7.945 3.231 1.00 0.00 C ATOM 394 CD1 LEU A 27 -9.849 6.887 3.337 1.00 0.00 C ATOM 395 CD2 LEU A 27 -7.995 7.796 1.926 1.00 0.00 C ATOM 0 H LEU A 27 -9.516 9.981 5.721 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.428 10.077 3.924 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -10.277 9.283 3.934 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.654 9.676 2.344 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.065 7.803 4.057 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.402 5.896 3.256 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.354 6.979 4.298 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -10.572 7.026 2.533 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.574 6.793 1.864 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.671 7.958 1.086 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.190 8.530 1.891 1.00 0.00 H new ATOM 407 N PHE A 28 -9.536 12.551 3.536 1.00 0.00 N ATOM 408 CA PHE A 28 -9.747 13.824 2.857 1.00 0.00 C ATOM 409 C PHE A 28 -8.770 14.880 3.366 1.00 0.00 C ATOM 410 O PHE A 28 -8.511 15.878 2.693 1.00 0.00 O ATOM 411 CB PHE A 28 -11.186 14.303 3.062 1.00 0.00 C ATOM 412 CG PHE A 28 -11.388 15.753 2.728 1.00 0.00 C ATOM 413 CD1 PHE A 28 -11.449 16.172 1.408 1.00 0.00 C ATOM 414 CD2 PHE A 28 -11.518 16.698 3.733 1.00 0.00 C ATOM 415 CE1 PHE A 28 -11.634 17.506 1.098 1.00 0.00 C ATOM 416 CE2 PHE A 28 -11.704 18.033 3.429 1.00 0.00 C ATOM 417 CZ PHE A 28 -11.763 18.437 2.110 1.00 0.00 C ATOM 0 H PHE A 28 -10.182 12.371 4.305 1.00 0.00 H new ATOM 0 HA PHE A 28 -9.570 13.673 1.792 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -11.853 13.700 2.445 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -11.472 14.134 4.100 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -11.351 15.448 0.613 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -11.473 16.387 4.766 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -11.678 17.820 0.066 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -11.803 18.759 4.222 1.00 0.00 H new ATOM 0 HZ PHE A 28 -11.910 19.480 1.870 1.00 0.00 H new ATOM 427 N PHE A 29 -8.232 14.653 4.560 1.00 0.00 N ATOM 428 CA PHE A 29 -7.285 15.585 5.161 1.00 0.00 C ATOM 429 C PHE A 29 -5.896 15.419 4.551 1.00 0.00 C ATOM 430 O PHE A 29 -5.170 16.394 4.358 1.00 0.00 O ATOM 431 CB PHE A 29 -7.218 15.373 6.674 1.00 0.00 C ATOM 432 CG PHE A 29 -6.198 16.238 7.357 1.00 0.00 C ATOM 433 CD1 PHE A 29 -4.844 16.041 7.138 1.00 0.00 C ATOM 434 CD2 PHE A 29 -6.593 17.250 8.218 1.00 0.00 C ATOM 435 CE1 PHE A 29 -3.903 16.836 7.765 1.00 0.00 C ATOM 436 CE2 PHE A 29 -5.657 18.048 8.847 1.00 0.00 C ATOM 437 CZ PHE A 29 -4.310 17.840 8.621 1.00 0.00 C ATOM 0 H PHE A 29 -8.436 13.832 5.130 1.00 0.00 H new ATOM 0 HA PHE A 29 -7.633 16.598 4.958 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -8.199 15.574 7.104 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -6.989 14.327 6.876 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -4.520 15.257 6.470 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -7.645 17.417 8.399 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.851 16.672 7.586 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -5.978 18.834 9.515 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.577 18.462 9.113 1.00 0.00 H new ATOM 447 N ARG A 30 -5.534 14.176 4.250 1.00 0.00 N ATOM 448 CA ARG A 30 -4.232 13.881 3.664 1.00 0.00 C ATOM 449 C ARG A 30 -4.208 14.244 2.182 1.00 0.00 C ATOM 450 O ARG A 30 -3.146 14.492 1.610 1.00 0.00 O ATOM 451 CB ARG A 30 -3.893 12.400 3.842 1.00 0.00 C ATOM 452 CG ARG A 30 -4.813 11.467 3.072 1.00 0.00 C ATOM 453 CD ARG A 30 -4.301 10.035 3.095 1.00 0.00 C ATOM 454 NE ARG A 30 -4.111 9.500 1.749 1.00 0.00 N ATOM 455 CZ ARG A 30 -3.018 9.706 1.023 1.00 0.00 C ATOM 456 NH1 ARG A 30 -2.022 10.432 1.511 1.00 0.00 N ATOM 457 NH2 ARG A 30 -2.920 9.185 -0.193 1.00 0.00 N ATOM 0 H ARG A 30 -6.124 13.358 4.402 1.00 0.00 H new ATOM 0 HA ARG A 30 -3.484 14.483 4.180 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -2.866 12.230 3.520 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -3.941 12.150 4.902 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -5.814 11.504 3.503 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -4.898 11.808 2.040 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -3.356 9.996 3.637 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -5.006 9.407 3.639 1.00 0.00 H new ATOM 0 HE ARG A 30 -4.859 8.937 1.344 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -2.094 10.834 2.446 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -1.184 10.589 0.952 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -3.684 8.626 -0.571 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -2.080 9.344 -0.750 1.00 0.00 H new ATOM 471 N ASP A 31 -5.385 14.271 1.566 1.00 0.00 N ATOM 472 CA ASP A 31 -5.499 14.604 0.151 1.00 0.00 C ATOM 473 C ASP A 31 -5.605 16.113 -0.046 1.00 0.00 C ATOM 474 O ASP A 31 -5.138 16.655 -1.048 1.00 0.00 O ATOM 475 CB ASP A 31 -6.718 13.911 -0.461 1.00 0.00 C ATOM 476 CG ASP A 31 -6.332 12.789 -1.405 1.00 0.00 C ATOM 477 OD1 ASP A 31 -5.637 13.067 -2.404 1.00 0.00 O ATOM 478 OD2 ASP A 31 -6.726 11.632 -1.144 1.00 0.00 O ATOM 0 H ASP A 31 -6.273 14.066 2.024 1.00 0.00 H new ATOM 0 HA ASP A 31 -4.599 14.252 -0.353 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -7.344 13.512 0.337 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -7.318 14.645 -0.999 1.00 0.00 H new ATOM 483 N THR A 32 -6.224 16.789 0.918 1.00 0.00 N ATOM 484 CA THR A 32 -6.394 18.234 0.850 1.00 0.00 C ATOM 485 C THR A 32 -5.154 18.958 1.362 1.00 0.00 C ATOM 486 O THR A 32 -4.609 19.829 0.685 1.00 0.00 O ATOM 487 CB THR A 32 -7.617 18.695 1.666 1.00 0.00 C ATOM 488 OG1 THR A 32 -8.796 18.031 1.198 1.00 0.00 O ATOM 489 CG2 THR A 32 -7.802 20.202 1.560 1.00 0.00 C ATOM 0 H THR A 32 -6.616 16.357 1.755 1.00 0.00 H new ATOM 0 HA THR A 32 -6.551 18.485 -0.199 1.00 0.00 H new ATOM 0 HB THR A 32 -7.446 18.439 2.712 1.00 0.00 H new ATOM 0 HG1 THR A 32 -9.587 18.448 1.599 1.00 0.00 H new ATOM 0 HG21 THR A 32 -8.671 20.504 2.144 1.00 0.00 H new ATOM 0 HG22 THR A 32 -6.915 20.705 1.944 1.00 0.00 H new ATOM 0 HG23 THR A 32 -7.953 20.478 0.516 1.00 0.00 H new ATOM 497 N GLN A 33 -4.714 18.591 2.561 1.00 0.00 N ATOM 498 CA GLN A 33 -3.537 19.207 3.164 1.00 0.00 C ATOM 499 C GLN A 33 -2.501 19.555 2.100 1.00 0.00 C ATOM 500 O GLN A 33 -1.988 20.673 2.063 1.00 0.00 O ATOM 501 CB GLN A 33 -2.922 18.270 4.205 1.00 0.00 C ATOM 502 CG GLN A 33 -1.545 18.707 4.678 1.00 0.00 C ATOM 503 CD GLN A 33 -0.518 17.595 4.592 1.00 0.00 C ATOM 504 OE1 GLN A 33 -0.183 16.964 5.595 1.00 0.00 O ATOM 505 NE2 GLN A 33 -0.011 17.349 3.389 1.00 0.00 N ATOM 0 H GLN A 33 -5.154 17.871 3.134 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.850 20.128 3.655 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -3.589 18.207 5.065 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.851 17.268 3.783 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -1.210 19.553 4.077 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -1.613 19.055 5.709 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.317 17.897 2.585 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.685 16.613 3.270 1.00 0.00 H new ATOM 514 N ALA A 34 -2.197 18.591 1.238 1.00 0.00 N ATOM 515 CA ALA A 34 -1.223 18.796 0.173 1.00 0.00 C ATOM 516 C ALA A 34 -1.551 20.046 -0.637 1.00 0.00 C ATOM 517 O ALA A 34 -0.699 20.913 -0.830 1.00 0.00 O ATOM 518 CB ALA A 34 -1.168 17.576 -0.734 1.00 0.00 C ATOM 0 H ALA A 34 -2.612 17.659 1.256 1.00 0.00 H new ATOM 0 HA ALA A 34 -0.244 18.938 0.631 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.437 17.743 -1.525 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.879 16.702 -0.151 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.149 17.408 -1.177 1.00 0.00 H new ATOM 524 N ALA A 35 -2.791 20.131 -1.109 1.00 0.00 N ATOM 525 CA ALA A 35 -3.231 21.276 -1.897 1.00 0.00 C ATOM 526 C ALA A 35 -3.161 22.563 -1.082 1.00 0.00 C ATOM 527 O ALA A 35 -2.815 23.622 -1.606 1.00 0.00 O ATOM 528 CB ALA A 35 -4.645 21.051 -2.410 1.00 0.00 C ATOM 0 H ALA A 35 -3.508 19.421 -0.959 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.559 21.379 -2.749 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.961 21.914 -2.997 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.667 20.159 -3.036 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -5.322 20.919 -1.566 1.00 0.00 H new ATOM 534 N ILE A 36 -3.491 22.464 0.201 1.00 0.00 N ATOM 535 CA ILE A 36 -3.465 23.621 1.088 1.00 0.00 C ATOM 536 C ILE A 36 -2.069 24.230 1.155 1.00 0.00 C ATOM 537 O ILE A 36 -1.860 25.378 0.763 1.00 0.00 O ATOM 538 CB ILE A 36 -3.920 23.250 2.511 1.00 0.00 C ATOM 539 CG1 ILE A 36 -5.300 22.589 2.473 1.00 0.00 C ATOM 540 CG2 ILE A 36 -3.944 24.485 3.399 1.00 0.00 C ATOM 541 CD1 ILE A 36 -6.404 23.521 2.027 1.00 0.00 C ATOM 0 H ILE A 36 -3.780 21.595 0.650 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.159 24.352 0.673 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.208 22.539 2.930 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.265 21.732 1.800 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.538 22.206 3.465 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.268 24.206 4.402 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.945 24.918 3.448 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.637 25.218 2.985 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.353 22.985 2.024 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -6.466 24.366 2.713 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -6.189 23.885 1.022 1.00 0.00 H new ATOM 553 N LYS A 37 -1.113 23.453 1.654 1.00 0.00 N ATOM 554 CA LYS A 37 0.265 23.913 1.771 1.00 0.00 C ATOM 555 C LYS A 37 0.757 24.499 0.451 1.00 0.00 C ATOM 556 O LYS A 37 1.176 25.654 0.392 1.00 0.00 O ATOM 557 CB LYS A 37 1.175 22.759 2.199 1.00 0.00 C ATOM 558 CG LYS A 37 2.021 23.072 3.420 1.00 0.00 C ATOM 559 CD LYS A 37 1.633 22.204 4.605 1.00 0.00 C ATOM 560 CE LYS A 37 2.671 21.124 4.868 1.00 0.00 C ATOM 561 NZ LYS A 37 2.287 19.824 4.251 1.00 0.00 N ATOM 0 H LYS A 37 -1.268 22.500 1.984 1.00 0.00 H new ATOM 0 HA LYS A 37 0.298 24.695 2.530 1.00 0.00 H new ATOM 0 HB2 LYS A 37 0.562 21.882 2.407 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.832 22.499 1.369 1.00 0.00 H new ATOM 0 HG2 LYS A 37 3.074 22.917 3.184 1.00 0.00 H new ATOM 0 HG3 LYS A 37 1.905 24.123 3.684 1.00 0.00 H new ATOM 0 HD2 LYS A 37 1.521 22.827 5.493 1.00 0.00 H new ATOM 0 HD3 LYS A 37 0.664 21.741 4.417 1.00 0.00 H new ATOM 0 HE2 LYS A 37 3.635 21.443 4.472 1.00 0.00 H new ATOM 0 HE3 LYS A 37 2.795 20.993 5.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 3.020 19.114 4.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 1.379 19.507 4.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 2.194 19.942 3.222 1.00 0.00 H new ATOM 575 N GLY A 38 0.701 23.695 -0.606 1.00 0.00 N ATOM 576 CA GLY A 38 1.142 24.153 -1.911 1.00 0.00 C ATOM 577 C GLY A 38 0.705 25.574 -2.205 1.00 0.00 C ATOM 578 O GLY A 38 1.468 26.362 -2.763 1.00 0.00 O ATOM 0 H GLY A 38 0.358 22.735 -0.582 1.00 0.00 H new ATOM 0 HA2 GLY A 38 2.229 24.092 -1.966 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.746 23.488 -2.679 1.00 0.00 H new ATOM 582 N GLN A 39 -0.527 25.902 -1.829 1.00 0.00 N ATOM 583 CA GLN A 39 -1.065 27.238 -2.058 1.00 0.00 C ATOM 584 C GLN A 39 -0.662 28.187 -0.935 1.00 0.00 C ATOM 585 O GLN A 39 -0.551 29.395 -1.140 1.00 0.00 O ATOM 586 CB GLN A 39 -2.589 27.184 -2.174 1.00 0.00 C ATOM 587 CG GLN A 39 -3.079 26.618 -3.497 1.00 0.00 C ATOM 588 CD GLN A 39 -2.247 25.443 -3.973 1.00 0.00 C ATOM 589 OE1 GLN A 39 -1.076 25.597 -4.319 1.00 0.00 O ATOM 590 NE2 GLN A 39 -2.850 24.260 -3.992 1.00 0.00 N ATOM 0 H GLN A 39 -1.171 25.262 -1.365 1.00 0.00 H new ATOM 0 HA GLN A 39 -0.650 27.614 -2.993 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -2.986 26.578 -1.360 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -2.991 28.189 -2.048 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -4.117 26.304 -3.391 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -3.059 27.403 -4.253 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -3.823 24.179 -3.696 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -2.340 23.433 -4.302 1.00 0.00 H new ATOM 599 N ASN A 40 -0.445 27.632 0.253 1.00 0.00 N ATOM 600 CA ASN A 40 -0.055 28.430 1.410 1.00 0.00 C ATOM 601 C ASN A 40 0.862 27.636 2.335 1.00 0.00 C ATOM 602 O ASN A 40 0.449 27.139 3.383 1.00 0.00 O ATOM 603 CB ASN A 40 -1.295 28.893 2.178 1.00 0.00 C ATOM 604 CG ASN A 40 -2.549 28.860 1.325 1.00 0.00 C ATOM 605 OD1 ASN A 40 -2.702 29.653 0.396 1.00 0.00 O ATOM 606 ND2 ASN A 40 -3.453 27.939 1.638 1.00 0.00 N ATOM 0 H ASN A 40 -0.533 26.633 0.440 1.00 0.00 H new ATOM 0 HA ASN A 40 0.489 29.303 1.050 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -1.436 28.257 3.052 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -1.135 29.907 2.544 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -4.316 27.868 1.100 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -3.284 27.302 2.417 1.00 0.00 H new ATOM 613 N PRO A 41 2.138 27.513 1.940 1.00 0.00 N ATOM 614 CA PRO A 41 3.141 26.781 2.719 1.00 0.00 C ATOM 615 C PRO A 41 3.508 27.500 4.013 1.00 0.00 C ATOM 616 O PRO A 41 3.952 26.877 4.976 1.00 0.00 O ATOM 617 CB PRO A 41 4.348 26.723 1.779 1.00 0.00 C ATOM 618 CG PRO A 41 4.183 27.897 0.878 1.00 0.00 C ATOM 619 CD PRO A 41 2.700 28.080 0.702 1.00 0.00 C ATOM 0 HA PRO A 41 2.779 25.801 3.031 1.00 0.00 H new ATOM 0 HB2 PRO A 41 5.285 26.778 2.334 1.00 0.00 H new ATOM 0 HB3 PRO A 41 4.366 25.790 1.215 1.00 0.00 H new ATOM 0 HG2 PRO A 41 4.637 28.788 1.311 1.00 0.00 H new ATOM 0 HG3 PRO A 41 4.671 27.724 -0.081 1.00 0.00 H new ATOM 0 HD2 PRO A 41 2.436 29.131 0.585 1.00 0.00 H new ATOM 0 HD3 PRO A 41 2.333 27.559 -0.182 1.00 0.00 H new ATOM 627 N ASN A 42 3.319 28.816 4.027 1.00 0.00 N ATOM 628 CA ASN A 42 3.630 29.620 5.203 1.00 0.00 C ATOM 629 C ASN A 42 2.778 29.194 6.395 1.00 0.00 C ATOM 630 O ASN A 42 3.177 29.360 7.547 1.00 0.00 O ATOM 631 CB ASN A 42 3.406 31.104 4.906 1.00 0.00 C ATOM 632 CG ASN A 42 1.935 31.454 4.786 1.00 0.00 C ATOM 633 OD1 ASN A 42 1.324 31.950 5.732 1.00 0.00 O ATOM 634 ND2 ASN A 42 1.359 31.195 3.618 1.00 0.00 N ATOM 0 H ASN A 42 2.952 29.348 3.238 1.00 0.00 H new ATOM 0 HA ASN A 42 4.679 29.461 5.454 1.00 0.00 H new ATOM 0 HB2 ASN A 42 3.856 31.702 5.699 1.00 0.00 H new ATOM 0 HB3 ASN A 42 3.916 31.367 3.979 1.00 0.00 H new ATOM 0 HD21 ASN A 42 0.371 31.408 3.478 1.00 0.00 H new ATOM 0 HD22 ASN A 42 1.904 30.783 2.861 1.00 0.00 H new ATOM 641 N ALA A 43 1.603 28.643 6.108 1.00 0.00 N ATOM 642 CA ALA A 43 0.696 28.190 7.155 1.00 0.00 C ATOM 643 C ALA A 43 1.252 26.965 7.872 1.00 0.00 C ATOM 644 O ALA A 43 1.721 26.020 7.237 1.00 0.00 O ATOM 645 CB ALA A 43 -0.675 27.885 6.570 1.00 0.00 C ATOM 0 H ALA A 43 1.257 28.500 5.159 1.00 0.00 H new ATOM 0 HA ALA A 43 0.597 28.992 7.887 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.342 27.548 7.363 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.083 28.785 6.111 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.583 27.103 5.816 1.00 0.00 H new ATOM 651 N THR A 44 1.198 26.987 9.201 1.00 0.00 N ATOM 652 CA THR A 44 1.699 25.879 10.004 1.00 0.00 C ATOM 653 C THR A 44 0.688 24.739 10.059 1.00 0.00 C ATOM 654 O THR A 44 -0.512 24.952 9.886 1.00 0.00 O ATOM 655 CB THR A 44 2.026 26.329 11.440 1.00 0.00 C ATOM 656 OG1 THR A 44 3.031 25.478 12.004 1.00 0.00 O ATOM 657 CG2 THR A 44 0.781 26.300 12.314 1.00 0.00 C ATOM 0 H THR A 44 0.812 27.760 9.743 1.00 0.00 H new ATOM 0 HA THR A 44 2.613 25.528 9.524 1.00 0.00 H new ATOM 0 HB THR A 44 2.398 27.353 11.400 1.00 0.00 H new ATOM 0 HG1 THR A 44 3.234 25.772 12.916 1.00 0.00 H new ATOM 0 HG21 THR A 44 1.037 26.622 13.323 1.00 0.00 H new ATOM 0 HG22 THR A 44 0.029 26.971 11.899 1.00 0.00 H new ATOM 0 HG23 THR A 44 0.383 25.286 12.347 1.00 0.00 H new ATOM 665 N PHE A 45 1.181 23.529 10.301 1.00 0.00 N ATOM 666 CA PHE A 45 0.320 22.354 10.379 1.00 0.00 C ATOM 667 C PHE A 45 -1.034 22.711 10.986 1.00 0.00 C ATOM 668 O PHE A 45 -2.078 22.503 10.370 1.00 0.00 O ATOM 669 CB PHE A 45 0.991 21.258 11.208 1.00 0.00 C ATOM 670 CG PHE A 45 1.313 20.021 10.418 1.00 0.00 C ATOM 671 CD1 PHE A 45 0.327 19.366 9.699 1.00 0.00 C ATOM 672 CD2 PHE A 45 2.602 19.515 10.396 1.00 0.00 C ATOM 673 CE1 PHE A 45 0.621 18.228 8.970 1.00 0.00 C ATOM 674 CE2 PHE A 45 2.902 18.378 9.669 1.00 0.00 C ATOM 675 CZ PHE A 45 1.910 17.733 8.957 1.00 0.00 C ATOM 0 H PHE A 45 2.172 23.336 10.446 1.00 0.00 H new ATOM 0 HA PHE A 45 0.158 21.985 9.366 1.00 0.00 H new ATOM 0 HB2 PHE A 45 1.910 21.652 11.641 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.337 20.990 12.038 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -0.683 19.748 9.708 1.00 0.00 H new ATOM 0 HD2 PHE A 45 3.381 20.014 10.953 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.156 17.727 8.412 1.00 0.00 H new ATOM 0 HE2 PHE A 45 3.912 17.994 9.658 1.00 0.00 H new ATOM 0 HZ PHE A 45 2.142 16.843 8.391 1.00 0.00 H new ATOM 685 N GLY A 46 -1.006 23.250 12.202 1.00 0.00 N ATOM 686 CA GLY A 46 -2.236 23.627 12.874 1.00 0.00 C ATOM 687 C GLY A 46 -3.172 24.409 11.974 1.00 0.00 C ATOM 688 O GLY A 46 -4.366 24.120 11.910 1.00 0.00 O ATOM 0 H GLY A 46 -0.154 23.432 12.733 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.743 22.729 13.228 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.997 24.226 13.753 1.00 0.00 H new ATOM 692 N GLU A 47 -2.629 25.405 11.280 1.00 0.00 N ATOM 693 CA GLU A 47 -3.426 26.233 10.382 1.00 0.00 C ATOM 694 C GLU A 47 -4.042 25.390 9.269 1.00 0.00 C ATOM 695 O GLU A 47 -5.251 25.432 9.040 1.00 0.00 O ATOM 696 CB GLU A 47 -2.565 27.344 9.779 1.00 0.00 C ATOM 697 CG GLU A 47 -2.493 28.594 10.640 1.00 0.00 C ATOM 698 CD GLU A 47 -2.988 29.831 9.915 1.00 0.00 C ATOM 699 OE1 GLU A 47 -4.043 29.749 9.252 1.00 0.00 O ATOM 700 OE2 GLU A 47 -2.319 30.881 10.011 1.00 0.00 O ATOM 0 H GLU A 47 -1.642 25.658 11.322 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.232 26.683 10.962 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.556 26.964 9.620 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.963 27.610 8.800 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.086 28.444 11.542 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.463 28.752 10.959 1.00 0.00 H new ATOM 707 N VAL A 48 -3.201 24.627 8.578 1.00 0.00 N ATOM 708 CA VAL A 48 -3.662 23.774 7.489 1.00 0.00 C ATOM 709 C VAL A 48 -4.856 22.930 7.919 1.00 0.00 C ATOM 710 O VAL A 48 -5.844 22.818 7.193 1.00 0.00 O ATOM 711 CB VAL A 48 -2.541 22.841 6.994 1.00 0.00 C ATOM 712 CG1 VAL A 48 -3.054 21.927 5.892 1.00 0.00 C ATOM 713 CG2 VAL A 48 -1.348 23.653 6.512 1.00 0.00 C ATOM 0 H VAL A 48 -2.197 24.582 8.753 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.962 24.435 6.675 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.216 22.218 7.827 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -2.248 21.275 5.555 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.875 21.321 6.275 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -3.408 22.529 5.055 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.565 22.979 6.166 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.657 24.302 5.692 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.967 24.261 7.332 1.00 0.00 H new ATOM 723 N SER A 49 -4.759 22.338 9.106 1.00 0.00 N ATOM 724 CA SER A 49 -5.831 21.501 9.632 1.00 0.00 C ATOM 725 C SER A 49 -7.081 22.330 9.912 1.00 0.00 C ATOM 726 O SER A 49 -8.158 22.049 9.386 1.00 0.00 O ATOM 727 CB SER A 49 -5.375 20.797 10.912 1.00 0.00 C ATOM 728 OG SER A 49 -4.136 20.137 10.717 1.00 0.00 O ATOM 0 H SER A 49 -3.950 22.423 9.721 1.00 0.00 H new ATOM 0 HA SER A 49 -6.075 20.751 8.880 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.280 21.525 11.717 1.00 0.00 H new ATOM 0 HB3 SER A 49 -6.130 20.075 11.223 1.00 0.00 H new ATOM 0 HG SER A 49 -4.266 19.365 10.127 1.00 0.00 H new ATOM 734 N LYS A 50 -6.929 23.354 10.745 1.00 0.00 N ATOM 735 CA LYS A 50 -8.043 24.227 11.096 1.00 0.00 C ATOM 736 C LYS A 50 -8.931 24.490 9.884 1.00 0.00 C ATOM 737 O LYS A 50 -10.136 24.703 10.021 1.00 0.00 O ATOM 738 CB LYS A 50 -7.522 25.552 11.657 1.00 0.00 C ATOM 739 CG LYS A 50 -8.149 25.939 12.985 1.00 0.00 C ATOM 740 CD LYS A 50 -8.876 27.269 12.893 1.00 0.00 C ATOM 741 CE LYS A 50 -10.141 27.273 13.738 1.00 0.00 C ATOM 742 NZ LYS A 50 -11.237 28.047 13.092 1.00 0.00 N ATOM 0 H LYS A 50 -6.045 23.600 11.190 1.00 0.00 H new ATOM 0 HA LYS A 50 -8.639 23.726 11.859 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -6.441 25.484 11.781 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.711 26.343 10.931 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -8.847 25.163 13.298 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.375 25.999 13.750 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.214 28.070 13.223 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -9.131 27.474 11.853 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -10.470 26.247 13.904 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.923 27.700 14.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -12.081 28.026 13.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -10.933 29.032 12.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -11.463 27.624 12.169 1.00 0.00 H new ATOM 756 N ILE A 51 -8.329 24.471 8.700 1.00 0.00 N ATOM 757 CA ILE A 51 -9.066 24.705 7.464 1.00 0.00 C ATOM 758 C ILE A 51 -9.781 23.439 7.003 1.00 0.00 C ATOM 759 O ILE A 51 -10.992 23.443 6.780 1.00 0.00 O ATOM 760 CB ILE A 51 -8.138 25.196 6.338 1.00 0.00 C ATOM 761 CG1 ILE A 51 -7.379 26.448 6.782 1.00 0.00 C ATOM 762 CG2 ILE A 51 -8.938 25.475 5.075 1.00 0.00 C ATOM 763 CD1 ILE A 51 -6.026 26.601 6.124 1.00 0.00 C ATOM 0 H ILE A 51 -7.333 24.296 8.570 1.00 0.00 H new ATOM 0 HA ILE A 51 -9.803 25.479 7.678 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.412 24.413 6.119 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.984 27.327 6.559 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -7.246 26.418 7.863 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.267 25.821 4.289 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -9.436 24.561 4.751 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -9.684 26.243 5.279 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.546 27.510 6.486 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.404 25.740 6.367 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.152 26.663 5.043 1.00 0.00 H new ATOM 775 N VAL A 52 -9.024 22.356 6.864 1.00 0.00 N ATOM 776 CA VAL A 52 -9.584 21.081 6.432 1.00 0.00 C ATOM 777 C VAL A 52 -10.820 20.719 7.249 1.00 0.00 C ATOM 778 O VAL A 52 -11.866 20.383 6.696 1.00 0.00 O ATOM 779 CB VAL A 52 -8.552 19.944 6.551 1.00 0.00 C ATOM 780 CG1 VAL A 52 -9.227 18.591 6.386 1.00 0.00 C ATOM 781 CG2 VAL A 52 -7.441 20.124 5.528 1.00 0.00 C ATOM 0 H VAL A 52 -8.020 22.336 7.044 1.00 0.00 H new ATOM 0 HA VAL A 52 -9.865 21.197 5.385 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.108 19.982 7.546 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -8.482 17.800 6.473 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -9.983 18.465 7.161 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -9.700 18.538 5.405 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.721 19.312 5.626 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -7.865 20.113 4.524 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -6.939 21.076 5.699 1.00 0.00 H new ATOM 791 N ALA A 53 -10.690 20.791 8.570 1.00 0.00 N ATOM 792 CA ALA A 53 -11.797 20.474 9.464 1.00 0.00 C ATOM 793 C ALA A 53 -13.065 21.213 9.052 1.00 0.00 C ATOM 794 O ALA A 53 -14.173 20.703 9.216 1.00 0.00 O ATOM 795 CB ALA A 53 -11.428 20.813 10.901 1.00 0.00 C ATOM 0 H ALA A 53 -9.830 21.066 9.044 1.00 0.00 H new ATOM 0 HA ALA A 53 -11.994 19.404 9.394 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -12.264 20.571 11.558 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -10.554 20.234 11.198 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -11.202 21.877 10.977 1.00 0.00 H new ATOM 801 N SER A 54 -12.895 22.419 8.518 1.00 0.00 N ATOM 802 CA SER A 54 -14.027 23.231 8.087 1.00 0.00 C ATOM 803 C SER A 54 -14.466 22.846 6.678 1.00 0.00 C ATOM 804 O SER A 54 -15.581 23.154 6.258 1.00 0.00 O ATOM 805 CB SER A 54 -13.662 24.716 8.132 1.00 0.00 C ATOM 806 OG SER A 54 -13.799 25.234 9.444 1.00 0.00 O ATOM 0 H SER A 54 -11.984 22.855 8.374 1.00 0.00 H new ATOM 0 HA SER A 54 -14.856 23.047 8.770 1.00 0.00 H new ATOM 0 HB2 SER A 54 -12.636 24.852 7.789 1.00 0.00 H new ATOM 0 HB3 SER A 54 -14.304 25.273 7.449 1.00 0.00 H new ATOM 0 HG SER A 54 -13.558 26.184 9.447 1.00 0.00 H new ATOM 812 N MET A 55 -13.580 22.170 5.952 1.00 0.00 N ATOM 813 CA MET A 55 -13.876 21.742 4.590 1.00 0.00 C ATOM 814 C MET A 55 -14.685 20.449 4.591 1.00 0.00 C ATOM 815 O MET A 55 -15.717 20.351 3.927 1.00 0.00 O ATOM 816 CB MET A 55 -12.580 21.547 3.801 1.00 0.00 C ATOM 817 CG MET A 55 -11.737 22.807 3.695 1.00 0.00 C ATOM 818 SD MET A 55 -10.068 22.478 3.099 1.00 0.00 S ATOM 819 CE MET A 55 -10.370 22.266 1.347 1.00 0.00 C ATOM 0 H MET A 55 -12.652 21.907 6.285 1.00 0.00 H new ATOM 0 HA MET A 55 -14.470 22.521 4.111 1.00 0.00 H new ATOM 0 HB2 MET A 55 -11.989 20.764 4.276 1.00 0.00 H new ATOM 0 HB3 MET A 55 -12.824 21.198 2.798 1.00 0.00 H new ATOM 0 HG2 MET A 55 -12.226 23.511 3.022 1.00 0.00 H new ATOM 0 HG3 MET A 55 -11.682 23.286 4.673 1.00 0.00 H new ATOM 0 HE1 MET A 55 -9.443 22.427 0.796 1.00 0.00 H new ATOM 0 HE2 MET A 55 -10.732 21.255 1.160 1.00 0.00 H new ATOM 0 HE3 MET A 55 -11.118 22.987 1.017 1.00 0.00 H new ATOM 829 N TRP A 56 -14.209 19.460 5.339 1.00 0.00 N ATOM 830 CA TRP A 56 -14.889 18.172 5.424 1.00 0.00 C ATOM 831 C TRP A 56 -16.316 18.342 5.934 1.00 0.00 C ATOM 832 O TRP A 56 -17.257 17.784 5.370 1.00 0.00 O ATOM 833 CB TRP A 56 -14.116 17.224 6.343 1.00 0.00 C ATOM 834 CG TRP A 56 -14.892 16.000 6.723 1.00 0.00 C ATOM 835 CD1 TRP A 56 -15.742 15.865 7.784 1.00 0.00 C ATOM 836 CD2 TRP A 56 -14.889 14.738 6.047 1.00 0.00 C ATOM 837 NE1 TRP A 56 -16.267 14.596 7.807 1.00 0.00 N ATOM 838 CE2 TRP A 56 -15.760 13.885 6.752 1.00 0.00 C ATOM 839 CE3 TRP A 56 -14.236 14.247 4.913 1.00 0.00 C ATOM 840 CZ2 TRP A 56 -15.992 12.570 6.359 1.00 0.00 C ATOM 841 CZ3 TRP A 56 -14.467 12.941 4.525 1.00 0.00 C ATOM 842 CH2 TRP A 56 -15.340 12.115 5.245 1.00 0.00 C ATOM 0 H TRP A 56 -13.356 19.525 5.895 1.00 0.00 H new ATOM 0 HA TRP A 56 -14.930 17.744 4.422 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -13.194 16.921 5.847 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -13.830 17.760 7.248 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -15.968 16.642 8.499 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -16.928 14.241 8.498 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -13.563 14.877 4.350 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -16.663 11.931 6.914 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -13.966 12.550 3.652 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -15.502 11.100 4.915 1.00 0.00 H new ATOM 853 N ASP A 57 -16.469 19.116 7.002 1.00 0.00 N ATOM 854 CA ASP A 57 -17.783 19.361 7.587 1.00 0.00 C ATOM 855 C ASP A 57 -18.753 19.897 6.539 1.00 0.00 C ATOM 856 O ASP A 57 -19.964 19.917 6.752 1.00 0.00 O ATOM 857 CB ASP A 57 -17.671 20.348 8.750 1.00 0.00 C ATOM 858 CG ASP A 57 -18.571 19.978 9.912 1.00 0.00 C ATOM 859 OD1 ASP A 57 -18.146 19.161 10.754 1.00 0.00 O ATOM 860 OD2 ASP A 57 -19.702 20.505 9.979 1.00 0.00 O ATOM 0 H ASP A 57 -15.700 19.585 7.481 1.00 0.00 H new ATOM 0 HA ASP A 57 -18.169 18.413 7.962 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -16.637 20.385 9.093 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -17.927 21.348 8.400 1.00 0.00 H new ATOM 865 N GLY A 58 -18.210 20.333 5.406 1.00 0.00 N ATOM 866 CA GLY A 58 -19.042 20.865 4.342 1.00 0.00 C ATOM 867 C GLY A 58 -18.839 20.136 3.028 1.00 0.00 C ATOM 868 O GLY A 58 -18.934 20.735 1.956 1.00 0.00 O ATOM 0 H GLY A 58 -17.210 20.327 5.206 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -20.090 20.795 4.635 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -18.819 21.923 4.205 1.00 0.00 H new ATOM 872 N LEU A 59 -18.557 18.841 3.109 1.00 0.00 N ATOM 873 CA LEU A 59 -18.338 18.029 1.917 1.00 0.00 C ATOM 874 C LEU A 59 -19.643 17.402 1.439 1.00 0.00 C ATOM 875 O LEU A 59 -20.603 17.286 2.199 1.00 0.00 O ATOM 876 CB LEU A 59 -17.308 16.935 2.203 1.00 0.00 C ATOM 877 CG LEU A 59 -16.099 16.890 1.267 1.00 0.00 C ATOM 878 CD1 LEU A 59 -15.012 17.836 1.753 1.00 0.00 C ATOM 879 CD2 LEU A 59 -15.563 15.471 1.157 1.00 0.00 C ATOM 0 H LEU A 59 -18.474 18.330 3.988 1.00 0.00 H new ATOM 0 HA LEU A 59 -17.958 18.679 1.129 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -16.947 17.061 3.224 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -17.812 15.969 2.160 1.00 0.00 H new ATOM 0 HG LEU A 59 -16.418 17.215 0.277 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -14.160 17.790 1.075 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -15.401 18.854 1.779 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -14.695 17.543 2.754 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -14.703 15.458 0.487 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -15.260 15.119 2.143 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -16.341 14.818 0.762 1.00 0.00 H new ATOM 891 N GLY A 60 -19.670 16.996 0.173 1.00 0.00 N ATOM 892 CA GLY A 60 -20.861 16.383 -0.385 1.00 0.00 C ATOM 893 C GLY A 60 -21.100 14.986 0.152 1.00 0.00 C ATOM 894 O GLY A 60 -20.164 14.200 0.291 1.00 0.00 O ATOM 0 H GLY A 60 -18.888 17.081 -0.476 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -21.726 17.008 -0.162 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -20.770 16.341 -1.470 1.00 0.00 H new ATOM 898 N GLU A 61 -22.357 14.678 0.456 1.00 0.00 N ATOM 899 CA GLU A 61 -22.715 13.366 0.984 1.00 0.00 C ATOM 900 C GLU A 61 -22.018 12.257 0.202 1.00 0.00 C ATOM 901 O GLU A 61 -21.512 11.298 0.784 1.00 0.00 O ATOM 902 CB GLU A 61 -24.231 13.167 0.931 1.00 0.00 C ATOM 903 CG GLU A 61 -24.878 13.051 2.301 1.00 0.00 C ATOM 904 CD GLU A 61 -24.716 14.310 3.131 1.00 0.00 C ATOM 905 OE1 GLU A 61 -25.304 15.347 2.756 1.00 0.00 O ATOM 906 OE2 GLU A 61 -24.003 14.260 4.154 1.00 0.00 O ATOM 0 H GLU A 61 -23.144 15.318 0.346 1.00 0.00 H new ATOM 0 HA GLU A 61 -22.386 13.318 2.022 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -24.680 14.004 0.396 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -24.451 12.267 0.357 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -25.939 12.834 2.180 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -24.439 12.209 2.836 1.00 0.00 H new ATOM 913 N GLU A 62 -21.996 12.395 -1.120 1.00 0.00 N ATOM 914 CA GLU A 62 -21.362 11.404 -1.981 1.00 0.00 C ATOM 915 C GLU A 62 -19.857 11.355 -1.737 1.00 0.00 C ATOM 916 O GLU A 62 -19.226 10.310 -1.898 1.00 0.00 O ATOM 917 CB GLU A 62 -21.642 11.720 -3.452 1.00 0.00 C ATOM 918 CG GLU A 62 -21.279 10.588 -4.397 1.00 0.00 C ATOM 919 CD GLU A 62 -21.777 10.825 -5.810 1.00 0.00 C ATOM 920 OE1 GLU A 62 -22.897 11.357 -5.962 1.00 0.00 O ATOM 921 OE2 GLU A 62 -21.048 10.478 -6.763 1.00 0.00 O ATOM 0 H GLU A 62 -22.410 13.183 -1.618 1.00 0.00 H new ATOM 0 HA GLU A 62 -21.783 10.428 -1.740 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -22.700 11.955 -3.569 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -21.084 12.612 -3.736 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -20.196 10.466 -4.413 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -21.699 9.656 -4.019 1.00 0.00 H new ATOM 928 N GLN A 63 -19.288 12.492 -1.349 1.00 0.00 N ATOM 929 CA GLN A 63 -17.857 12.578 -1.085 1.00 0.00 C ATOM 930 C GLN A 63 -17.522 12.007 0.289 1.00 0.00 C ATOM 931 O GLN A 63 -16.447 11.442 0.493 1.00 0.00 O ATOM 932 CB GLN A 63 -17.388 14.031 -1.175 1.00 0.00 C ATOM 933 CG GLN A 63 -17.472 14.612 -2.577 1.00 0.00 C ATOM 934 CD GLN A 63 -16.549 15.798 -2.774 1.00 0.00 C ATOM 935 OE1 GLN A 63 -15.349 15.636 -2.997 1.00 0.00 O ATOM 936 NE2 GLN A 63 -17.105 17.001 -2.693 1.00 0.00 N ATOM 0 H GLN A 63 -19.796 13.366 -1.211 1.00 0.00 H new ATOM 0 HA GLN A 63 -17.337 11.988 -1.840 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -17.990 14.641 -0.501 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -16.357 14.094 -0.826 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -17.222 13.838 -3.302 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -18.499 14.918 -2.778 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -18.104 17.090 -2.506 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -16.533 17.836 -2.817 1.00 0.00 H new ATOM 945 N LYS A 64 -18.448 12.159 1.229 1.00 0.00 N ATOM 946 CA LYS A 64 -18.253 11.658 2.585 1.00 0.00 C ATOM 947 C LYS A 64 -18.442 10.145 2.638 1.00 0.00 C ATOM 948 O LYS A 64 -17.657 9.435 3.265 1.00 0.00 O ATOM 949 CB LYS A 64 -19.227 12.339 3.548 1.00 0.00 C ATOM 950 CG LYS A 64 -18.744 13.689 4.049 1.00 0.00 C ATOM 951 CD LYS A 64 -19.615 14.209 5.180 1.00 0.00 C ATOM 952 CE LYS A 64 -19.085 15.523 5.732 1.00 0.00 C ATOM 953 NZ LYS A 64 -19.963 16.068 6.805 1.00 0.00 N ATOM 0 H LYS A 64 -19.342 12.626 1.077 1.00 0.00 H new ATOM 0 HA LYS A 64 -17.232 11.890 2.888 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -20.187 12.469 3.049 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -19.398 11.684 4.402 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -17.713 13.603 4.393 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -18.747 14.405 3.227 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -20.635 14.349 4.821 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -19.657 13.468 5.978 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -18.080 15.372 6.127 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -19.005 16.250 4.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -19.568 16.964 7.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -20.915 16.236 6.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -20.020 15.385 7.587 1.00 0.00 H new ATOM 967 N GLN A 65 -19.488 9.660 1.977 1.00 0.00 N ATOM 968 CA GLN A 65 -19.779 8.232 1.950 1.00 0.00 C ATOM 969 C GLN A 65 -18.640 7.457 1.297 1.00 0.00 C ATOM 970 O GLN A 65 -18.235 6.401 1.783 1.00 0.00 O ATOM 971 CB GLN A 65 -21.086 7.970 1.199 1.00 0.00 C ATOM 972 CG GLN A 65 -21.204 8.744 -0.105 1.00 0.00 C ATOM 973 CD GLN A 65 -21.222 7.839 -1.321 1.00 0.00 C ATOM 974 OE1 GLN A 65 -22.224 7.181 -1.604 1.00 0.00 O ATOM 975 NE2 GLN A 65 -20.112 7.800 -2.047 1.00 0.00 N ATOM 0 H GLN A 65 -20.148 10.235 1.453 1.00 0.00 H new ATOM 0 HA GLN A 65 -19.885 7.889 2.979 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -21.166 6.904 0.988 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -21.925 8.231 1.844 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -22.116 9.341 -0.088 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -20.369 9.440 -0.187 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -19.305 8.362 -1.776 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -20.066 7.208 -2.876 1.00 0.00 H new ATOM 984 N VAL A 66 -18.126 7.988 0.191 1.00 0.00 N ATOM 985 CA VAL A 66 -17.033 7.346 -0.528 1.00 0.00 C ATOM 986 C VAL A 66 -15.791 7.230 0.349 1.00 0.00 C ATOM 987 O VAL A 66 -15.109 6.205 0.344 1.00 0.00 O ATOM 988 CB VAL A 66 -16.672 8.122 -1.809 1.00 0.00 C ATOM 989 CG1 VAL A 66 -16.379 9.579 -1.486 1.00 0.00 C ATOM 990 CG2 VAL A 66 -15.487 7.473 -2.509 1.00 0.00 C ATOM 0 H VAL A 66 -18.450 8.861 -0.226 1.00 0.00 H new ATOM 0 HA VAL A 66 -17.376 6.348 -0.800 1.00 0.00 H new ATOM 0 HB VAL A 66 -17.526 8.090 -2.485 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -16.126 10.111 -2.403 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -17.259 10.035 -1.033 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -15.542 9.636 -0.790 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -15.246 8.034 -3.412 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -14.626 7.472 -1.841 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -15.740 6.447 -2.776 1.00 0.00 H new ATOM 1000 N TYR A 67 -15.504 8.286 1.101 1.00 0.00 N ATOM 1001 CA TYR A 67 -14.343 8.304 1.982 1.00 0.00 C ATOM 1002 C TYR A 67 -14.486 7.267 3.093 1.00 0.00 C ATOM 1003 O TYR A 67 -13.495 6.761 3.619 1.00 0.00 O ATOM 1004 CB TYR A 67 -14.158 9.696 2.589 1.00 0.00 C ATOM 1005 CG TYR A 67 -13.343 10.630 1.724 1.00 0.00 C ATOM 1006 CD1 TYR A 67 -12.094 10.253 1.245 1.00 0.00 C ATOM 1007 CD2 TYR A 67 -13.820 11.890 1.386 1.00 0.00 C ATOM 1008 CE1 TYR A 67 -11.345 11.103 0.455 1.00 0.00 C ATOM 1009 CE2 TYR A 67 -13.079 12.746 0.595 1.00 0.00 C ATOM 1010 CZ TYR A 67 -11.842 12.349 0.132 1.00 0.00 C ATOM 1011 OH TYR A 67 -11.100 13.199 -0.654 1.00 0.00 O ATOM 0 H TYR A 67 -16.060 9.141 1.118 1.00 0.00 H new ATOM 0 HA TYR A 67 -13.464 8.055 1.388 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -15.138 10.140 2.765 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -13.673 9.598 3.560 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -11.702 9.278 1.495 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -14.787 12.206 1.748 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -10.376 10.794 0.092 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -13.466 13.721 0.340 1.00 0.00 H new ATOM 0 HH TYR A 67 -11.593 14.035 -0.788 1.00 0.00 H new ATOM 1021 N LYS A 68 -15.729 6.956 3.445 1.00 0.00 N ATOM 1022 CA LYS A 68 -16.006 5.979 4.491 1.00 0.00 C ATOM 1023 C LYS A 68 -15.899 4.557 3.950 1.00 0.00 C ATOM 1024 O LYS A 68 -15.442 3.649 4.645 1.00 0.00 O ATOM 1025 CB LYS A 68 -17.401 6.209 5.077 1.00 0.00 C ATOM 1026 CG LYS A 68 -17.705 7.669 5.367 1.00 0.00 C ATOM 1027 CD LYS A 68 -18.111 7.876 6.817 1.00 0.00 C ATOM 1028 CE LYS A 68 -19.154 8.975 6.952 1.00 0.00 C ATOM 1029 NZ LYS A 68 -18.536 10.330 6.948 1.00 0.00 N ATOM 0 H LYS A 68 -16.561 7.367 3.021 1.00 0.00 H new ATOM 0 HA LYS A 68 -15.263 6.107 5.278 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -18.146 5.822 4.382 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -17.498 5.636 5.999 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -16.828 8.276 5.144 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -18.505 8.012 4.711 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -18.508 6.945 7.221 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -17.232 8.132 7.409 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -19.869 8.900 6.133 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -19.713 8.834 7.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -19.280 11.051 7.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -17.872 10.411 7.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -18.024 10.475 6.055 1.00 0.00 H new ATOM 1043 N LYS A 69 -16.321 4.369 2.704 1.00 0.00 N ATOM 1044 CA LYS A 69 -16.271 3.059 2.067 1.00 0.00 C ATOM 1045 C LYS A 69 -14.836 2.681 1.713 1.00 0.00 C ATOM 1046 O LYS A 69 -14.462 1.508 1.757 1.00 0.00 O ATOM 1047 CB LYS A 69 -17.138 3.047 0.807 1.00 0.00 C ATOM 1048 CG LYS A 69 -18.605 2.764 1.080 1.00 0.00 C ATOM 1049 CD LYS A 69 -19.442 4.029 0.995 1.00 0.00 C ATOM 1050 CE LYS A 69 -20.864 3.728 0.548 1.00 0.00 C ATOM 1051 NZ LYS A 69 -21.870 4.199 1.540 1.00 0.00 N ATOM 0 H LYS A 69 -16.702 5.109 2.115 1.00 0.00 H new ATOM 0 HA LYS A 69 -16.659 2.325 2.773 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -17.050 4.011 0.306 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -16.753 2.294 0.119 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -18.975 2.033 0.362 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -18.713 2.321 2.070 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -19.462 4.519 1.968 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -18.980 4.726 0.296 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -21.051 4.206 -0.414 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -20.978 2.654 0.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -22.756 4.438 1.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -22.051 3.447 2.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -21.507 5.042 2.029 1.00 0.00 H new ATOM 1065 N LYS A 70 -14.034 3.681 1.364 1.00 0.00 N ATOM 1066 CA LYS A 70 -12.639 3.455 1.005 1.00 0.00 C ATOM 1067 C LYS A 70 -11.818 3.069 2.231 1.00 0.00 C ATOM 1068 O LYS A 70 -10.947 2.201 2.160 1.00 0.00 O ATOM 1069 CB LYS A 70 -12.048 4.709 0.357 1.00 0.00 C ATOM 1070 CG LYS A 70 -12.565 4.969 -1.048 1.00 0.00 C ATOM 1071 CD LYS A 70 -11.550 5.730 -1.884 1.00 0.00 C ATOM 1072 CE LYS A 70 -12.231 6.640 -2.895 1.00 0.00 C ATOM 1073 NZ LYS A 70 -11.647 6.491 -4.257 1.00 0.00 N ATOM 0 H LYS A 70 -14.327 4.657 1.322 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.602 2.633 0.291 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -12.273 5.572 0.983 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.963 4.614 0.324 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.798 4.021 -1.532 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -13.494 5.537 -0.996 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -10.911 6.324 -1.231 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -10.904 5.024 -2.406 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -13.296 6.411 -2.930 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -12.138 7.677 -2.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -12.138 7.128 -4.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -10.636 6.733 -4.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -11.759 5.508 -4.577 1.00 0.00 H new ATOM 1087 N THR A 71 -12.101 3.718 3.356 1.00 0.00 N ATOM 1088 CA THR A 71 -11.389 3.442 4.597 1.00 0.00 C ATOM 1089 C THR A 71 -11.255 1.941 4.832 1.00 0.00 C ATOM 1090 O THR A 71 -10.160 1.439 5.084 1.00 0.00 O ATOM 1091 CB THR A 71 -12.100 4.078 5.806 1.00 0.00 C ATOM 1092 OG1 THR A 71 -12.543 5.399 5.475 1.00 0.00 O ATOM 1093 CG2 THR A 71 -11.174 4.135 7.011 1.00 0.00 C ATOM 0 H THR A 71 -12.819 4.439 3.433 1.00 0.00 H new ATOM 0 HA THR A 71 -10.397 3.881 4.496 1.00 0.00 H new ATOM 0 HB THR A 71 -12.961 3.459 6.059 1.00 0.00 H new ATOM 0 HG1 THR A 71 -13.292 5.345 4.846 1.00 0.00 H new ATOM 0 HG21 THR A 71 -11.699 4.588 7.852 1.00 0.00 H new ATOM 0 HG22 THR A 71 -10.863 3.125 7.279 1.00 0.00 H new ATOM 0 HG23 THR A 71 -10.296 4.733 6.767 1.00 0.00 H new ATOM 1101 N GLU A 72 -12.376 1.231 4.748 1.00 0.00 N ATOM 1102 CA GLU A 72 -12.381 -0.213 4.952 1.00 0.00 C ATOM 1103 C GLU A 72 -11.642 -0.924 3.823 1.00 0.00 C ATOM 1104 O GLU A 72 -10.832 -1.820 4.065 1.00 0.00 O ATOM 1105 CB GLU A 72 -13.818 -0.731 5.042 1.00 0.00 C ATOM 1106 CG GLU A 72 -14.571 -0.229 6.263 1.00 0.00 C ATOM 1107 CD GLU A 72 -14.609 -1.248 7.385 1.00 0.00 C ATOM 1108 OE1 GLU A 72 -15.077 -2.380 7.142 1.00 0.00 O ATOM 1109 OE2 GLU A 72 -14.170 -0.914 8.505 1.00 0.00 O ATOM 0 H GLU A 72 -13.291 1.632 4.540 1.00 0.00 H new ATOM 0 HA GLU A 72 -11.866 -0.425 5.889 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -14.359 -0.433 4.144 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -13.802 -1.821 5.058 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -14.101 0.686 6.624 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -15.591 0.028 5.976 1.00 0.00 H new ATOM 1116 N ALA A 73 -11.927 -0.520 2.590 1.00 0.00 N ATOM 1117 CA ALA A 73 -11.288 -1.117 1.423 1.00 0.00 C ATOM 1118 C ALA A 73 -9.784 -0.868 1.433 1.00 0.00 C ATOM 1119 O ALA A 73 -9.019 -1.605 0.811 1.00 0.00 O ATOM 1120 CB ALA A 73 -11.908 -0.572 0.145 1.00 0.00 C ATOM 0 H ALA A 73 -12.596 0.218 2.373 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.451 -2.194 1.461 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -11.421 -1.026 -0.718 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.972 -0.808 0.127 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -11.776 0.509 0.109 1.00 0.00 H new ATOM 1126 N ALA A 74 -9.366 0.176 2.142 1.00 0.00 N ATOM 1127 CA ALA A 74 -7.953 0.521 2.233 1.00 0.00 C ATOM 1128 C ALA A 74 -7.314 -0.103 3.469 1.00 0.00 C ATOM 1129 O ALA A 74 -6.110 -0.359 3.496 1.00 0.00 O ATOM 1130 CB ALA A 74 -7.780 2.033 2.252 1.00 0.00 C ATOM 0 H ALA A 74 -9.986 0.797 2.662 1.00 0.00 H new ATOM 0 HA ALA A 74 -7.448 0.120 1.354 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -6.720 2.277 2.320 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -8.192 2.458 1.337 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.304 2.448 3.113 1.00 0.00 H new ATOM 1136 N LYS A 75 -8.127 -0.344 4.491 1.00 0.00 N ATOM 1137 CA LYS A 75 -7.642 -0.938 5.731 1.00 0.00 C ATOM 1138 C LYS A 75 -7.491 -2.449 5.588 1.00 0.00 C ATOM 1139 O LYS A 75 -6.409 -2.998 5.793 1.00 0.00 O ATOM 1140 CB LYS A 75 -8.598 -0.618 6.883 1.00 0.00 C ATOM 1141 CG LYS A 75 -8.543 -1.626 8.018 1.00 0.00 C ATOM 1142 CD LYS A 75 -8.499 -0.939 9.372 1.00 0.00 C ATOM 1143 CE LYS A 75 -9.750 -0.109 9.617 1.00 0.00 C ATOM 1144 NZ LYS A 75 -9.427 1.322 9.871 1.00 0.00 N ATOM 0 H LYS A 75 -9.126 -0.137 4.485 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.663 -0.511 5.950 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.362 0.371 7.275 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.616 -0.573 6.497 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.414 -2.279 7.968 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.663 -2.259 7.901 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.398 -1.688 10.158 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -7.619 -0.298 9.428 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -10.410 -0.184 8.753 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -10.294 -0.515 10.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -10.306 1.853 10.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -8.818 1.397 10.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -8.931 1.717 9.047 1.00 0.00 H new ATOM 1158 N LYS A 76 -8.584 -3.117 5.232 1.00 0.00 N ATOM 1159 CA LYS A 76 -8.573 -4.565 5.058 1.00 0.00 C ATOM 1160 C LYS A 76 -7.442 -4.993 4.128 1.00 0.00 C ATOM 1161 O LYS A 76 -6.852 -6.058 4.305 1.00 0.00 O ATOM 1162 CB LYS A 76 -9.916 -5.041 4.498 1.00 0.00 C ATOM 1163 CG LYS A 76 -10.825 -5.663 5.544 1.00 0.00 C ATOM 1164 CD LYS A 76 -10.296 -7.008 6.014 1.00 0.00 C ATOM 1165 CE LYS A 76 -11.224 -8.143 5.613 1.00 0.00 C ATOM 1166 NZ LYS A 76 -12.278 -8.387 6.636 1.00 0.00 N ATOM 0 H LYS A 76 -9.488 -2.678 5.058 1.00 0.00 H new ATOM 0 HA LYS A 76 -8.410 -5.022 6.034 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.429 -4.196 4.039 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -9.733 -5.770 3.708 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -10.916 -4.989 6.396 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -11.825 -5.789 5.129 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.306 -7.179 5.590 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -10.181 -6.996 7.098 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -11.693 -7.908 4.658 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.642 -9.053 5.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -12.890 -9.168 6.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -11.832 -8.636 7.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -12.850 -7.527 6.757 1.00 0.00 H new ATOM 1180 N GLU A 77 -7.145 -4.155 3.140 1.00 0.00 N ATOM 1181 CA GLU A 77 -6.083 -4.448 2.184 1.00 0.00 C ATOM 1182 C GLU A 77 -4.710 -4.243 2.817 1.00 0.00 C ATOM 1183 O GLU A 77 -3.834 -5.102 2.716 1.00 0.00 O ATOM 1184 CB GLU A 77 -6.224 -3.561 0.945 1.00 0.00 C ATOM 1185 CG GLU A 77 -5.348 -2.320 0.983 1.00 0.00 C ATOM 1186 CD GLU A 77 -5.437 -1.504 -0.292 1.00 0.00 C ATOM 1187 OE1 GLU A 77 -6.431 -1.664 -1.031 1.00 0.00 O ATOM 1188 OE2 GLU A 77 -4.512 -0.706 -0.551 1.00 0.00 O ATOM 0 H GLU A 77 -7.624 -3.269 2.980 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.174 -5.493 1.886 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -5.974 -4.145 0.060 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -7.266 -3.257 0.842 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -5.641 -1.698 1.829 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -4.312 -2.616 1.149 1.00 0.00 H new ATOM 1195 N TYR A 78 -4.530 -3.099 3.468 1.00 0.00 N ATOM 1196 CA TYR A 78 -3.262 -2.780 4.115 1.00 0.00 C ATOM 1197 C TYR A 78 -2.693 -4.000 4.831 1.00 0.00 C ATOM 1198 O TYR A 78 -1.501 -4.295 4.730 1.00 0.00 O ATOM 1199 CB TYR A 78 -3.448 -1.632 5.108 1.00 0.00 C ATOM 1200 CG TYR A 78 -2.283 -1.457 6.056 1.00 0.00 C ATOM 1201 CD1 TYR A 78 -0.988 -1.306 5.576 1.00 0.00 C ATOM 1202 CD2 TYR A 78 -2.478 -1.441 7.432 1.00 0.00 C ATOM 1203 CE1 TYR A 78 0.079 -1.146 6.438 1.00 0.00 C ATOM 1204 CE2 TYR A 78 -1.417 -1.280 8.302 1.00 0.00 C ATOM 1205 CZ TYR A 78 -0.140 -1.134 7.800 1.00 0.00 C ATOM 1206 OH TYR A 78 0.920 -0.974 8.662 1.00 0.00 O ATOM 0 H TYR A 78 -5.245 -2.378 3.562 1.00 0.00 H new ATOM 0 HA TYR A 78 -2.556 -2.474 3.343 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -3.598 -0.705 4.555 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -4.354 -1.807 5.688 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -0.813 -1.314 4.510 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -3.476 -1.556 7.828 1.00 0.00 H new ATOM 0 HE1 TYR A 78 1.080 -1.031 6.048 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -1.586 -1.268 9.369 1.00 0.00 H new ATOM 0 HH TYR A 78 0.595 -0.987 9.586 1.00 0.00 H new ATOM 1216 N LEU A 79 -3.553 -4.707 5.556 1.00 0.00 N ATOM 1217 CA LEU A 79 -3.138 -5.898 6.290 1.00 0.00 C ATOM 1218 C LEU A 79 -2.711 -7.006 5.333 1.00 0.00 C ATOM 1219 O LEU A 79 -1.670 -7.637 5.521 1.00 0.00 O ATOM 1220 CB LEU A 79 -4.276 -6.391 7.185 1.00 0.00 C ATOM 1221 CG LEU A 79 -4.534 -5.577 8.453 1.00 0.00 C ATOM 1222 CD1 LEU A 79 -5.111 -4.214 8.104 1.00 0.00 C ATOM 1223 CD2 LEU A 79 -5.469 -6.330 9.389 1.00 0.00 C ATOM 0 H LEU A 79 -4.542 -4.476 5.651 1.00 0.00 H new ATOM 0 HA LEU A 79 -2.284 -5.632 6.912 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.193 -6.409 6.596 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.064 -7.420 7.475 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.583 -5.426 8.965 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -5.288 -3.649 9.019 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.407 -3.672 7.473 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -6.052 -4.343 7.569 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -5.642 -5.736 10.286 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.419 -6.512 8.886 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -5.017 -7.282 9.666 1.00 0.00 H new