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 157:sc= 1.53 USER MOD Single : A 33 GLN : amide:sc= -3.18! K(o=-3.2!,f=-0.91) USER MOD Single : A 37 LYS NZ :NH3+ -175:sc= -0.903 (180deg=-0.916) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 ASN : amide:sc= -3.05! C(o=-3.1!,f=-4!) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot 58:sc= 0.544 USER MOD Single : A 49 SER OG : rot 68:sc= 1.03 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 -166:sc= -0.209 (180deg=-0.528) USER MOD Single : A 63 GLN : amide:sc= -0.164 X(o=-0.16,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 175:sc= -2.14! (180deg=-2.7!) USER MOD Single : A 65 GLN : amide:sc= -0.077 X(o=-0.077,f=0) USER MOD Single : A 67 TYR OH : rot 150:sc= -0.0933 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot -170:sc= -0.704 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 -3.550 2.789 6.092 1.00 0.00 N ATOM 307 CA PRO A 21 -4.403 3.853 5.554 1.00 0.00 C ATOM 308 C PRO A 21 -5.184 4.577 6.646 1.00 0.00 C ATOM 309 O PRO A 21 -5.629 3.964 7.616 1.00 0.00 O ATOM 310 CB PRO A 21 -5.358 3.105 4.621 1.00 0.00 C ATOM 311 CG PRO A 21 -5.403 1.716 5.159 1.00 0.00 C ATOM 312 CD PRO A 21 -4.038 1.448 5.729 1.00 0.00 C ATOM 0 HA PRO A 21 -3.821 4.630 5.057 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -6.348 3.561 4.619 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -4.999 3.120 3.592 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -6.172 1.619 5.926 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -5.645 1.001 4.373 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -4.087 0.790 6.597 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -3.386 0.967 5.000 1.00 0.00 H new ATOM 320 N VAL A 22 -5.347 5.886 6.480 1.00 0.00 N ATOM 321 CA VAL A 22 -6.076 6.694 7.451 1.00 0.00 C ATOM 322 C VAL A 22 -7.581 6.485 7.320 1.00 0.00 C ATOM 323 O VAL A 22 -8.057 5.931 6.330 1.00 0.00 O ATOM 324 CB VAL A 22 -5.760 8.192 7.284 1.00 0.00 C ATOM 325 CG1 VAL A 22 -4.259 8.413 7.181 1.00 0.00 C ATOM 326 CG2 VAL A 22 -6.475 8.755 6.065 1.00 0.00 C ATOM 0 H VAL A 22 -4.984 6.409 5.683 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.752 6.370 8.440 1.00 0.00 H new ATOM 0 HB VAL A 22 -6.121 8.722 8.165 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.055 9.477 7.063 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.775 8.049 8.087 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.870 7.872 6.319 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.240 9.814 5.963 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -6.147 8.223 5.172 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.551 8.632 6.185 1.00 0.00 H new ATOM 336 N SER A 23 -8.325 6.934 8.326 1.00 0.00 N ATOM 337 CA SER A 23 -9.776 6.794 8.326 1.00 0.00 C ATOM 338 C SER A 23 -10.406 7.674 7.250 1.00 0.00 C ATOM 339 O SER A 23 -9.706 8.329 6.480 1.00 0.00 O ATOM 340 CB SER A 23 -10.345 7.159 9.698 1.00 0.00 C ATOM 341 OG SER A 23 -10.380 6.029 10.553 1.00 0.00 O ATOM 0 H SER A 23 -7.946 7.398 9.152 1.00 0.00 H new ATOM 0 HA SER A 23 -10.016 5.754 8.107 1.00 0.00 H new ATOM 0 HB2 SER A 23 -9.737 7.943 10.150 1.00 0.00 H new ATOM 0 HB3 SER A 23 -11.351 7.563 9.582 1.00 0.00 H new ATOM 0 HG SER A 23 -10.746 6.289 11.424 1.00 0.00 H new ATOM 347 N ALA A 24 -11.735 7.683 7.206 1.00 0.00 N ATOM 348 CA ALA A 24 -12.461 8.483 6.228 1.00 0.00 C ATOM 349 C ALA A 24 -12.131 9.964 6.376 1.00 0.00 C ATOM 350 O ALA A 24 -11.497 10.559 5.505 1.00 0.00 O ATOM 351 CB ALA A 24 -13.959 8.257 6.369 1.00 0.00 C ATOM 0 H ALA A 24 -12.330 7.145 7.836 1.00 0.00 H new ATOM 0 HA ALA A 24 -12.149 8.166 5.233 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -14.489 8.861 5.632 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -14.185 7.203 6.205 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -14.278 8.545 7.371 1.00 0.00 H new ATOM 357 N TYR A 25 -12.565 10.554 7.484 1.00 0.00 N ATOM 358 CA TYR A 25 -12.318 11.967 7.745 1.00 0.00 C ATOM 359 C TYR A 25 -10.834 12.294 7.615 1.00 0.00 C ATOM 360 O TYR A 25 -10.456 13.449 7.420 1.00 0.00 O ATOM 361 CB TYR A 25 -12.814 12.344 9.142 1.00 0.00 C ATOM 362 CG TYR A 25 -12.201 13.617 9.680 1.00 0.00 C ATOM 363 CD1 TYR A 25 -12.109 14.755 8.888 1.00 0.00 C ATOM 364 CD2 TYR A 25 -11.715 13.682 10.980 1.00 0.00 C ATOM 365 CE1 TYR A 25 -11.549 15.920 9.375 1.00 0.00 C ATOM 366 CE2 TYR A 25 -11.155 14.844 11.475 1.00 0.00 C ATOM 367 CZ TYR A 25 -11.074 15.960 10.669 1.00 0.00 C ATOM 368 OH TYR A 25 -10.516 17.119 11.158 1.00 0.00 O ATOM 0 H TYR A 25 -13.090 10.075 8.216 1.00 0.00 H new ATOM 0 HA TYR A 25 -12.866 12.548 7.003 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -13.898 12.456 9.115 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -12.595 11.527 9.829 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -12.482 14.728 7.875 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -11.776 12.810 11.614 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -11.483 16.795 8.746 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -10.783 14.878 12.488 1.00 0.00 H new ATOM 0 HH TYR A 25 -10.232 16.979 12.086 1.00 0.00 H new ATOM 378 N ALA A 26 -9.997 11.267 7.724 1.00 0.00 N ATOM 379 CA ALA A 26 -8.554 11.443 7.616 1.00 0.00 C ATOM 380 C ALA A 26 -8.101 11.388 6.161 1.00 0.00 C ATOM 381 O ALA A 26 -7.200 12.121 5.752 1.00 0.00 O ATOM 382 CB ALA A 26 -7.830 10.386 8.436 1.00 0.00 C ATOM 0 H ALA A 26 -10.294 10.305 7.887 1.00 0.00 H new ATOM 0 HA ALA A 26 -8.303 12.428 8.010 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.753 10.530 8.346 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -8.122 10.475 9.483 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -8.096 9.395 8.068 1.00 0.00 H new ATOM 388 N LEU A 27 -8.732 10.515 5.383 1.00 0.00 N ATOM 389 CA LEU A 27 -8.393 10.363 3.972 1.00 0.00 C ATOM 390 C LEU A 27 -8.571 11.681 3.225 1.00 0.00 C ATOM 391 O LEU A 27 -7.856 11.963 2.263 1.00 0.00 O ATOM 392 CB LEU A 27 -9.263 9.279 3.333 1.00 0.00 C ATOM 393 CG LEU A 27 -8.642 7.884 3.248 1.00 0.00 C ATOM 394 CD1 LEU A 27 -9.726 6.817 3.254 1.00 0.00 C ATOM 395 CD2 LEU A 27 -7.776 7.761 2.002 1.00 0.00 C ATOM 0 H LEU A 27 -9.481 9.902 5.705 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.346 10.067 3.904 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -10.193 9.207 3.898 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.526 9.600 2.325 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.009 7.734 4.122 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.266 5.831 3.193 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.305 6.891 4.175 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -10.385 6.963 2.399 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.342 6.762 1.958 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.387 7.931 1.116 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.978 8.502 2.039 1.00 0.00 H new ATOM 407 N PHE A 28 -9.529 12.485 3.675 1.00 0.00 N ATOM 408 CA PHE A 28 -9.800 13.775 3.050 1.00 0.00 C ATOM 409 C PHE A 28 -8.822 14.836 3.545 1.00 0.00 C ATOM 410 O PHE A 28 -8.625 15.865 2.898 1.00 0.00 O ATOM 411 CB PHE A 28 -11.237 14.214 3.340 1.00 0.00 C ATOM 412 CG PHE A 28 -11.475 15.678 3.106 1.00 0.00 C ATOM 413 CD1 PHE A 28 -11.243 16.601 4.113 1.00 0.00 C ATOM 414 CD2 PHE A 28 -11.932 16.131 1.879 1.00 0.00 C ATOM 415 CE1 PHE A 28 -11.461 17.949 3.900 1.00 0.00 C ATOM 416 CE2 PHE A 28 -12.151 17.478 1.661 1.00 0.00 C ATOM 417 CZ PHE A 28 -11.917 18.388 2.673 1.00 0.00 C ATOM 0 H PHE A 28 -10.130 12.266 4.469 1.00 0.00 H new ATOM 0 HA PHE A 28 -9.672 13.663 1.973 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -11.918 13.639 2.713 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -11.479 13.976 4.376 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -10.888 16.263 5.075 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -12.119 15.424 1.084 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -11.275 18.658 4.693 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -12.505 17.819 0.699 1.00 0.00 H new ATOM 0 HZ PHE A 28 -12.090 19.441 2.505 1.00 0.00 H new ATOM 427 N PHE A 29 -8.213 14.578 4.698 1.00 0.00 N ATOM 428 CA PHE A 29 -7.256 15.512 5.282 1.00 0.00 C ATOM 429 C PHE A 29 -5.908 15.423 4.573 1.00 0.00 C ATOM 430 O PHE A 29 -5.261 16.439 4.319 1.00 0.00 O ATOM 431 CB PHE A 29 -7.080 15.226 6.775 1.00 0.00 C ATOM 432 CG PHE A 29 -6.141 16.177 7.460 1.00 0.00 C ATOM 433 CD1 PHE A 29 -4.771 16.059 7.292 1.00 0.00 C ATOM 434 CD2 PHE A 29 -6.628 17.188 8.273 1.00 0.00 C ATOM 435 CE1 PHE A 29 -3.903 16.933 7.921 1.00 0.00 C ATOM 436 CE2 PHE A 29 -5.766 18.064 8.904 1.00 0.00 C ATOM 437 CZ PHE A 29 -4.402 17.936 8.729 1.00 0.00 C ATOM 0 H PHE A 29 -8.365 13.731 5.246 1.00 0.00 H new ATOM 0 HA PHE A 29 -7.647 16.522 5.156 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -8.053 15.274 7.263 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -6.710 14.208 6.901 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -4.376 15.275 6.662 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -7.694 17.292 8.415 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.837 16.831 7.781 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -6.159 18.849 9.534 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.727 18.619 9.223 1.00 0.00 H new ATOM 447 N ARG A 30 -5.491 14.201 4.258 1.00 0.00 N ATOM 448 CA ARG A 30 -4.219 13.979 3.581 1.00 0.00 C ATOM 449 C ARG A 30 -4.322 14.335 2.100 1.00 0.00 C ATOM 450 O ARG A 30 -3.313 14.575 1.438 1.00 0.00 O ATOM 451 CB ARG A 30 -3.782 12.522 3.737 1.00 0.00 C ATOM 452 CG ARG A 30 -4.807 11.521 3.231 1.00 0.00 C ATOM 453 CD ARG A 30 -4.288 10.095 3.326 1.00 0.00 C ATOM 454 NE ARG A 30 -3.523 9.711 2.142 1.00 0.00 N ATOM 455 CZ ARG A 30 -2.219 9.925 2.009 1.00 0.00 C ATOM 456 NH1 ARG A 30 -1.538 10.517 2.981 1.00 0.00 N ATOM 457 NH2 ARG A 30 -1.593 9.547 0.902 1.00 0.00 N ATOM 0 H ARG A 30 -6.015 13.350 4.461 1.00 0.00 H new ATOM 0 HA ARG A 30 -3.473 14.626 4.042 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -2.845 12.373 3.200 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -3.581 12.323 4.790 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -5.725 11.614 3.811 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -5.059 11.749 2.195 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -3.660 9.996 4.211 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -5.127 9.411 3.453 1.00 0.00 H new ATOM 0 HE ARG A 30 -4.017 9.254 1.376 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -2.016 10.809 3.834 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -0.537 10.680 2.876 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -2.113 9.092 0.152 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -0.592 9.712 0.801 1.00 0.00 H new ATOM 471 N ASP A 31 -5.548 14.367 1.589 1.00 0.00 N ATOM 472 CA ASP A 31 -5.783 14.694 0.187 1.00 0.00 C ATOM 473 C ASP A 31 -5.994 16.194 0.007 1.00 0.00 C ATOM 474 O ASP A 31 -5.564 16.778 -0.988 1.00 0.00 O ATOM 475 CB ASP A 31 -6.997 13.928 -0.340 1.00 0.00 C ATOM 476 CG ASP A 31 -6.670 13.096 -1.564 1.00 0.00 C ATOM 477 OD1 ASP A 31 -6.501 13.684 -2.653 1.00 0.00 O ATOM 478 OD2 ASP A 31 -6.585 11.857 -1.435 1.00 0.00 O ATOM 0 H ASP A 31 -6.394 14.171 2.124 1.00 0.00 H new ATOM 0 HA ASP A 31 -4.902 14.399 -0.383 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -7.382 13.278 0.446 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -7.790 14.634 -0.586 1.00 0.00 H new ATOM 483 N THR A 32 -6.661 16.813 0.977 1.00 0.00 N ATOM 484 CA THR A 32 -6.932 18.244 0.924 1.00 0.00 C ATOM 485 C THR A 32 -5.706 19.051 1.337 1.00 0.00 C ATOM 486 O THR A 32 -5.352 20.034 0.687 1.00 0.00 O ATOM 487 CB THR A 32 -8.114 18.626 1.835 1.00 0.00 C ATOM 488 OG1 THR A 32 -9.310 17.983 1.381 1.00 0.00 O ATOM 489 CG2 THR A 32 -8.318 20.133 1.854 1.00 0.00 C ATOM 0 H THR A 32 -7.023 16.345 1.808 1.00 0.00 H new ATOM 0 HA THR A 32 -7.188 18.479 -0.109 1.00 0.00 H new ATOM 0 HB THR A 32 -7.886 18.294 2.848 1.00 0.00 H new ATOM 0 HG1 THR A 32 -9.947 17.915 2.123 1.00 0.00 H new ATOM 0 HG21 THR A 32 -9.158 20.378 2.504 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.416 20.618 2.228 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.526 20.485 0.844 1.00 0.00 H new ATOM 497 N GLN A 33 -5.062 18.628 2.420 1.00 0.00 N ATOM 498 CA GLN A 33 -3.875 19.313 2.918 1.00 0.00 C ATOM 499 C GLN A 33 -3.019 19.826 1.766 1.00 0.00 C ATOM 500 O GLN A 33 -2.726 21.018 1.680 1.00 0.00 O ATOM 501 CB GLN A 33 -3.052 18.374 3.802 1.00 0.00 C ATOM 502 CG GLN A 33 -1.673 18.914 4.145 1.00 0.00 C ATOM 503 CD GLN A 33 -0.563 17.942 3.797 1.00 0.00 C ATOM 504 OE1 GLN A 33 0.113 17.411 4.679 1.00 0.00 O ATOM 505 NE2 GLN A 33 -0.368 17.703 2.505 1.00 0.00 N ATOM 0 H GLN A 33 -5.342 17.815 2.969 1.00 0.00 H new ATOM 0 HA GLN A 33 -4.201 20.167 3.512 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -3.599 18.186 4.726 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.942 17.415 3.295 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -1.511 19.851 3.612 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -1.631 19.142 5.210 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.951 18.165 1.807 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.365 17.058 2.211 1.00 0.00 H new ATOM 514 N ALA A 34 -2.620 18.918 0.881 1.00 0.00 N ATOM 515 CA ALA A 34 -1.798 19.279 -0.267 1.00 0.00 C ATOM 516 C ALA A 34 -2.319 20.545 -0.938 1.00 0.00 C ATOM 517 O ALA A 34 -1.560 21.480 -1.194 1.00 0.00 O ATOM 518 CB ALA A 34 -1.752 18.131 -1.265 1.00 0.00 C ATOM 0 H ALA A 34 -2.853 17.927 0.938 1.00 0.00 H new ATOM 0 HA ALA A 34 -0.787 19.477 0.089 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -1.135 18.414 -2.117 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -1.326 17.249 -0.786 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.762 17.906 -1.607 1.00 0.00 H new ATOM 524 N ALA A 35 -3.617 20.568 -1.221 1.00 0.00 N ATOM 525 CA ALA A 35 -4.239 21.721 -1.861 1.00 0.00 C ATOM 526 C ALA A 35 -4.104 22.969 -0.996 1.00 0.00 C ATOM 527 O ALA A 35 -4.030 24.086 -1.509 1.00 0.00 O ATOM 528 CB ALA A 35 -5.704 21.435 -2.154 1.00 0.00 C ATOM 0 H ALA A 35 -4.258 19.802 -1.017 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.721 21.906 -2.802 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -6.156 22.304 -2.632 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.781 20.575 -2.819 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.226 21.221 -1.222 1.00 0.00 H new ATOM 534 N ILE A 36 -4.073 22.772 0.318 1.00 0.00 N ATOM 535 CA ILE A 36 -3.946 23.882 1.254 1.00 0.00 C ATOM 536 C ILE A 36 -2.601 24.583 1.096 1.00 0.00 C ATOM 537 O ILE A 36 -2.538 25.748 0.700 1.00 0.00 O ATOM 538 CB ILE A 36 -4.098 23.410 2.712 1.00 0.00 C ATOM 539 CG1 ILE A 36 -5.326 22.508 2.853 1.00 0.00 C ATOM 540 CG2 ILE A 36 -4.201 24.605 3.648 1.00 0.00 C ATOM 541 CD1 ILE A 36 -6.581 23.097 2.247 1.00 0.00 C ATOM 0 H ILE A 36 -4.134 21.854 0.758 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.748 24.583 1.023 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.214 22.834 2.986 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.119 21.549 2.379 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.501 22.309 3.910 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.308 24.255 4.675 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.300 25.212 3.564 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.069 25.206 3.377 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.411 22.404 2.384 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -6.813 24.042 2.738 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -6.424 23.270 1.182 1.00 0.00 H new ATOM 553 N LYS A 37 -1.526 23.867 1.407 1.00 0.00 N ATOM 554 CA LYS A 37 -0.181 24.418 1.297 1.00 0.00 C ATOM 555 C LYS A 37 -0.002 25.158 -0.025 1.00 0.00 C ATOM 556 O LYS A 37 0.373 26.329 -0.045 1.00 0.00 O ATOM 557 CB LYS A 37 0.860 23.302 1.414 1.00 0.00 C ATOM 558 CG LYS A 37 1.775 23.447 2.618 1.00 0.00 C ATOM 559 CD LYS A 37 1.257 22.660 3.810 1.00 0.00 C ATOM 560 CE LYS A 37 2.137 21.456 4.108 1.00 0.00 C ATOM 561 NZ LYS A 37 1.347 20.196 4.185 1.00 0.00 N ATOM 0 H LYS A 37 -1.560 22.903 1.738 1.00 0.00 H new ATOM 0 HA LYS A 37 -0.038 25.127 2.112 1.00 0.00 H new ATOM 0 HB2 LYS A 37 0.346 22.342 1.472 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.466 23.285 0.508 1.00 0.00 H new ATOM 0 HG2 LYS A 37 2.776 23.101 2.359 1.00 0.00 H new ATOM 0 HG3 LYS A 37 1.861 24.500 2.886 1.00 0.00 H new ATOM 0 HD2 LYS A 37 1.217 23.308 4.685 1.00 0.00 H new ATOM 0 HD3 LYS A 37 0.238 22.327 3.613 1.00 0.00 H new ATOM 0 HE2 LYS A 37 2.897 21.361 3.332 1.00 0.00 H new ATOM 0 HE3 LYS A 37 2.661 21.614 5.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 1.969 19.414 4.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 0.584 20.307 4.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 0.936 19.987 3.253 1.00 0.00 H new ATOM 575 N GLY A 38 -0.275 24.466 -1.127 1.00 0.00 N ATOM 576 CA GLY A 38 -0.140 25.075 -2.437 1.00 0.00 C ATOM 577 C GLY A 38 -0.752 26.460 -2.499 1.00 0.00 C ATOM 578 O GLY A 38 -0.198 27.362 -3.127 1.00 0.00 O ATOM 0 H GLY A 38 -0.587 23.495 -1.136 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.916 25.136 -2.699 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.616 24.437 -3.181 1.00 0.00 H new ATOM 582 N GLN A 39 -1.898 26.629 -1.848 1.00 0.00 N ATOM 583 CA GLN A 39 -2.586 27.914 -1.834 1.00 0.00 C ATOM 584 C GLN A 39 -2.104 28.777 -0.673 1.00 0.00 C ATOM 585 O GLN A 39 -2.284 29.994 -0.675 1.00 0.00 O ATOM 586 CB GLN A 39 -4.098 27.705 -1.736 1.00 0.00 C ATOM 587 CG GLN A 39 -4.779 27.547 -3.086 1.00 0.00 C ATOM 588 CD GLN A 39 -6.292 27.563 -2.982 1.00 0.00 C ATOM 589 OE1 GLN A 39 -6.918 28.623 -3.034 1.00 0.00 O ATOM 590 NE2 GLN A 39 -6.888 26.386 -2.835 1.00 0.00 N ATOM 0 H GLN A 39 -2.370 25.892 -1.323 1.00 0.00 H new ATOM 0 HA GLN A 39 -2.357 28.431 -2.766 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -4.296 26.819 -1.133 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -4.540 28.552 -1.212 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -4.456 28.350 -3.748 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -4.460 26.610 -3.542 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -6.330 25.533 -2.797 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -7.904 26.335 -2.760 1.00 0.00 H new ATOM 599 N ASN A 40 -1.491 28.138 0.319 1.00 0.00 N ATOM 600 CA ASN A 40 -0.984 28.848 1.487 1.00 0.00 C ATOM 601 C ASN A 40 0.132 28.057 2.163 1.00 0.00 C ATOM 602 O ASN A 40 -0.074 27.383 3.173 1.00 0.00 O ATOM 603 CB ASN A 40 -2.116 29.107 2.484 1.00 0.00 C ATOM 604 CG ASN A 40 -3.487 28.915 1.864 1.00 0.00 C ATOM 605 OD1 ASN A 40 -3.933 29.727 1.054 1.00 0.00 O ATOM 606 ND2 ASN A 40 -4.161 27.836 2.244 1.00 0.00 N ATOM 0 H ASN A 40 -1.334 27.130 0.337 1.00 0.00 H new ATOM 0 HA ASN A 40 -0.578 29.802 1.152 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -2.008 28.435 3.335 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -2.033 30.124 2.868 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -5.089 27.653 1.861 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -3.751 27.190 2.919 1.00 0.00 H new ATOM 613 N PRO A 41 1.344 28.139 1.593 1.00 0.00 N ATOM 614 CA PRO A 41 2.517 27.438 2.124 1.00 0.00 C ATOM 615 C PRO A 41 2.992 28.023 3.449 1.00 0.00 C ATOM 616 O PRO A 41 3.744 27.387 4.186 1.00 0.00 O ATOM 617 CB PRO A 41 3.575 27.645 1.038 1.00 0.00 C ATOM 618 CG PRO A 41 3.165 28.897 0.343 1.00 0.00 C ATOM 619 CD PRO A 41 1.662 28.922 0.388 1.00 0.00 C ATOM 0 HA PRO A 41 2.304 26.390 2.337 1.00 0.00 H new ATOM 0 HB2 PRO A 41 4.572 27.740 1.469 1.00 0.00 H new ATOM 0 HB3 PRO A 41 3.605 26.801 0.349 1.00 0.00 H new ATOM 0 HG2 PRO A 41 3.585 29.773 0.837 1.00 0.00 H new ATOM 0 HG3 PRO A 41 3.525 28.908 -0.686 1.00 0.00 H new ATOM 0 HD2 PRO A 41 1.279 29.940 0.458 1.00 0.00 H new ATOM 0 HD3 PRO A 41 1.226 28.478 -0.507 1.00 0.00 H new ATOM 627 N ASN A 42 2.546 29.240 3.747 1.00 0.00 N ATOM 628 CA ASN A 42 2.926 29.911 4.985 1.00 0.00 C ATOM 629 C ASN A 42 2.371 29.172 6.198 1.00 0.00 C ATOM 630 O ASN A 42 2.918 29.261 7.296 1.00 0.00 O ATOM 631 CB ASN A 42 2.424 31.357 4.980 1.00 0.00 C ATOM 632 CG ASN A 42 3.551 32.360 4.838 1.00 0.00 C ATOM 633 OD1 ASN A 42 3.980 32.972 5.816 1.00 0.00 O ATOM 634 ND2 ASN A 42 4.037 32.534 3.614 1.00 0.00 N ATOM 0 H ASN A 42 1.922 29.781 3.148 1.00 0.00 H new ATOM 0 HA ASN A 42 4.014 29.911 5.050 1.00 0.00 H new ATOM 0 HB2 ASN A 42 1.717 31.490 4.161 1.00 0.00 H new ATOM 0 HB3 ASN A 42 1.881 31.553 5.905 1.00 0.00 H new ATOM 0 HD21 ASN A 42 4.796 33.197 3.456 1.00 0.00 H new ATOM 0 HD22 ASN A 42 3.651 32.005 2.832 1.00 0.00 H new ATOM 641 N ALA A 43 1.280 28.441 5.990 1.00 0.00 N ATOM 642 CA ALA A 43 0.652 27.684 7.065 1.00 0.00 C ATOM 643 C ALA A 43 1.625 26.676 7.669 1.00 0.00 C ATOM 644 O ALA A 43 2.441 26.084 6.961 1.00 0.00 O ATOM 645 CB ALA A 43 -0.594 26.976 6.554 1.00 0.00 C ATOM 0 H ALA A 43 0.813 28.358 5.087 1.00 0.00 H new ATOM 0 HA ALA A 43 0.363 28.385 7.848 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.053 26.414 7.368 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.303 27.713 6.177 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.320 26.292 5.750 1.00 0.00 H new ATOM 651 N THR A 44 1.535 26.486 8.981 1.00 0.00 N ATOM 652 CA THR A 44 2.408 25.552 9.680 1.00 0.00 C ATOM 653 C THR A 44 1.602 24.461 10.376 1.00 0.00 C ATOM 654 O THR A 44 1.436 24.480 11.595 1.00 0.00 O ATOM 655 CB THR A 44 3.282 26.273 10.723 1.00 0.00 C ATOM 656 OG1 THR A 44 2.454 26.990 11.645 1.00 0.00 O ATOM 657 CG2 THR A 44 4.249 27.234 10.048 1.00 0.00 C ATOM 0 H THR A 44 0.866 26.967 9.582 1.00 0.00 H new ATOM 0 HA THR A 44 3.053 25.099 8.927 1.00 0.00 H new ATOM 0 HB THR A 44 3.859 25.522 11.262 1.00 0.00 H new ATOM 0 HG1 THR A 44 1.834 26.368 12.079 1.00 0.00 H new ATOM 0 HG21 THR A 44 4.855 27.731 10.805 1.00 0.00 H new ATOM 0 HG22 THR A 44 4.898 26.680 9.369 1.00 0.00 H new ATOM 0 HG23 THR A 44 3.687 27.980 9.485 1.00 0.00 H new ATOM 665 N PHE A 45 1.104 23.510 9.593 1.00 0.00 N ATOM 666 CA PHE A 45 0.314 22.410 10.135 1.00 0.00 C ATOM 667 C PHE A 45 -0.958 22.929 10.798 1.00 0.00 C ATOM 668 O PHE A 45 -2.046 22.846 10.229 1.00 0.00 O ATOM 669 CB PHE A 45 1.140 21.610 11.145 1.00 0.00 C ATOM 670 CG PHE A 45 1.607 20.282 10.620 1.00 0.00 C ATOM 671 CD1 PHE A 45 0.699 19.361 10.123 1.00 0.00 C ATOM 672 CD2 PHE A 45 2.953 19.956 10.625 1.00 0.00 C ATOM 673 CE1 PHE A 45 1.126 18.138 9.640 1.00 0.00 C ATOM 674 CE2 PHE A 45 3.386 18.735 10.142 1.00 0.00 C ATOM 675 CZ PHE A 45 2.471 17.825 9.650 1.00 0.00 C ATOM 0 H PHE A 45 1.233 23.479 8.582 1.00 0.00 H new ATOM 0 HA PHE A 45 0.031 21.757 9.309 1.00 0.00 H new ATOM 0 HB2 PHE A 45 2.007 22.200 11.441 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.543 21.447 12.043 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -0.354 19.601 10.113 1.00 0.00 H new ATOM 0 HD2 PHE A 45 3.672 20.663 11.010 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.409 17.428 9.255 1.00 0.00 H new ATOM 0 HE2 PHE A 45 4.439 18.493 10.149 1.00 0.00 H new ATOM 0 HZ PHE A 45 2.807 16.870 9.274 1.00 0.00 H new ATOM 685 N GLY A 46 -0.813 23.463 12.007 1.00 0.00 N ATOM 686 CA GLY A 46 -1.957 23.987 12.729 1.00 0.00 C ATOM 687 C GLY A 46 -2.872 24.813 11.846 1.00 0.00 C ATOM 688 O GLY A 46 -4.077 24.883 12.084 1.00 0.00 O ATOM 0 H GLY A 46 0.077 23.542 12.499 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.522 23.159 13.158 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.608 24.600 13.560 1.00 0.00 H new ATOM 692 N GLU A 47 -2.297 25.440 10.824 1.00 0.00 N ATOM 693 CA GLU A 47 -3.070 26.267 9.905 1.00 0.00 C ATOM 694 C GLU A 47 -3.707 25.415 8.811 1.00 0.00 C ATOM 695 O GLU A 47 -4.884 25.579 8.488 1.00 0.00 O ATOM 696 CB GLU A 47 -2.177 27.339 9.275 1.00 0.00 C ATOM 697 CG GLU A 47 -2.199 28.663 10.021 1.00 0.00 C ATOM 698 CD GLU A 47 -2.883 29.764 9.235 1.00 0.00 C ATOM 699 OE1 GLU A 47 -2.576 29.914 8.034 1.00 0.00 O ATOM 700 OE2 GLU A 47 -3.726 30.476 9.820 1.00 0.00 O ATOM 0 H GLU A 47 -1.300 25.391 10.612 1.00 0.00 H new ATOM 0 HA GLU A 47 -3.864 26.752 10.473 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.152 26.970 9.237 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.495 27.506 8.246 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.711 28.530 10.974 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.177 28.965 10.248 1.00 0.00 H new ATOM 707 N VAL A 48 -2.922 24.505 8.245 1.00 0.00 N ATOM 708 CA VAL A 48 -3.408 23.626 7.188 1.00 0.00 C ATOM 709 C VAL A 48 -4.443 22.643 7.724 1.00 0.00 C ATOM 710 O VAL A 48 -5.261 22.114 6.971 1.00 0.00 O ATOM 711 CB VAL A 48 -2.255 22.838 6.538 1.00 0.00 C ATOM 712 CG1 VAL A 48 -2.800 21.732 5.647 1.00 0.00 C ATOM 713 CG2 VAL A 48 -1.350 23.772 5.750 1.00 0.00 C ATOM 0 H VAL A 48 -1.946 24.357 8.501 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.872 24.263 6.435 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.662 22.376 7.328 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.971 21.186 5.196 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.403 21.048 6.244 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -3.417 22.168 4.861 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.541 23.199 5.298 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.928 24.264 4.968 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.932 24.524 6.419 1.00 0.00 H new ATOM 723 N SER A 49 -4.401 22.402 9.031 1.00 0.00 N ATOM 724 CA SER A 49 -5.333 21.479 9.668 1.00 0.00 C ATOM 725 C SER A 49 -6.663 22.166 9.960 1.00 0.00 C ATOM 726 O SER A 49 -7.720 21.716 9.516 1.00 0.00 O ATOM 727 CB SER A 49 -4.734 20.930 10.964 1.00 0.00 C ATOM 728 OG SER A 49 -3.412 20.463 10.757 1.00 0.00 O ATOM 0 H SER A 49 -3.732 22.833 9.669 1.00 0.00 H new ATOM 0 HA SER A 49 -5.514 20.652 8.981 1.00 0.00 H new ATOM 0 HB2 SER A 49 -4.733 21.709 11.726 1.00 0.00 H new ATOM 0 HB3 SER A 49 -5.355 20.117 11.340 1.00 0.00 H new ATOM 0 HG SER A 49 -2.825 21.222 10.558 1.00 0.00 H new ATOM 734 N LYS A 50 -6.604 23.260 10.712 1.00 0.00 N ATOM 735 CA LYS A 50 -7.802 24.012 11.065 1.00 0.00 C ATOM 736 C LYS A 50 -8.721 24.169 9.858 1.00 0.00 C ATOM 737 O LYS A 50 -9.936 23.998 9.965 1.00 0.00 O ATOM 738 CB LYS A 50 -7.422 25.390 11.612 1.00 0.00 C ATOM 739 CG LYS A 50 -6.556 26.203 10.665 1.00 0.00 C ATOM 740 CD LYS A 50 -6.382 27.631 11.154 1.00 0.00 C ATOM 741 CE LYS A 50 -7.601 28.482 10.834 1.00 0.00 C ATOM 742 NZ LYS A 50 -7.989 29.348 11.981 1.00 0.00 N ATOM 0 H LYS A 50 -5.738 23.646 11.089 1.00 0.00 H new ATOM 0 HA LYS A 50 -8.335 23.456 11.836 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -8.332 25.949 11.829 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.893 25.263 12.557 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -5.579 25.730 10.567 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.008 26.210 9.673 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -6.210 27.630 12.230 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -5.499 28.070 10.691 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -7.391 29.104 9.964 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -8.437 27.834 10.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -8.824 29.912 11.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -8.214 28.754 12.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -7.201 29.984 12.218 1.00 0.00 H new ATOM 756 N ILE A 51 -8.134 24.493 8.711 1.00 0.00 N ATOM 757 CA ILE A 51 -8.901 24.670 7.484 1.00 0.00 C ATOM 758 C ILE A 51 -9.623 23.384 7.097 1.00 0.00 C ATOM 759 O ILE A 51 -10.798 23.405 6.732 1.00 0.00 O ATOM 760 CB ILE A 51 -7.999 25.111 6.316 1.00 0.00 C ATOM 761 CG1 ILE A 51 -7.305 26.433 6.650 1.00 0.00 C ATOM 762 CG2 ILE A 51 -8.815 25.243 5.038 1.00 0.00 C ATOM 763 CD1 ILE A 51 -5.940 26.576 6.013 1.00 0.00 C ATOM 0 H ILE A 51 -7.130 24.638 8.606 1.00 0.00 H new ATOM 0 HA ILE A 51 -9.636 25.451 7.680 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.234 24.350 6.159 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.938 27.259 6.324 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -7.203 26.517 7.732 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.164 25.555 4.221 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -9.267 24.282 4.794 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -9.599 25.987 5.182 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.507 27.536 6.293 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.291 25.771 6.358 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.037 26.524 4.929 1.00 0.00 H new ATOM 775 N VAL A 52 -8.911 22.264 7.180 1.00 0.00 N ATOM 776 CA VAL A 52 -9.484 20.967 6.841 1.00 0.00 C ATOM 777 C VAL A 52 -10.635 20.614 7.777 1.00 0.00 C ATOM 778 O VAL A 52 -11.724 20.255 7.330 1.00 0.00 O ATOM 779 CB VAL A 52 -8.424 19.851 6.905 1.00 0.00 C ATOM 780 CG1 VAL A 52 -9.086 18.483 6.850 1.00 0.00 C ATOM 781 CG2 VAL A 52 -7.416 20.011 5.777 1.00 0.00 C ATOM 0 H VAL A 52 -7.936 22.229 7.479 1.00 0.00 H new ATOM 0 HA VAL A 52 -9.859 21.043 5.820 1.00 0.00 H new ATOM 0 HB VAL A 52 -7.891 19.932 7.852 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -8.322 17.707 6.896 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -9.766 18.374 7.695 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -9.645 18.387 5.919 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.674 19.215 5.836 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -7.931 19.956 4.818 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -6.919 20.977 5.867 1.00 0.00 H new ATOM 791 N ALA A 53 -10.386 20.718 9.078 1.00 0.00 N ATOM 792 CA ALA A 53 -11.402 20.412 10.077 1.00 0.00 C ATOM 793 C ALA A 53 -12.724 21.093 9.742 1.00 0.00 C ATOM 794 O ALA A 53 -13.794 20.507 9.906 1.00 0.00 O ATOM 795 CB ALA A 53 -10.926 20.832 11.460 1.00 0.00 C ATOM 0 H ALA A 53 -9.489 21.012 9.465 1.00 0.00 H new ATOM 0 HA ALA A 53 -11.567 19.335 10.073 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -11.695 20.598 12.196 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -10.010 20.295 11.708 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -10.731 21.904 11.468 1.00 0.00 H new ATOM 801 N SER A 54 -12.644 22.334 9.272 1.00 0.00 N ATOM 802 CA SER A 54 -13.835 23.096 8.918 1.00 0.00 C ATOM 803 C SER A 54 -14.397 22.633 7.577 1.00 0.00 C ATOM 804 O SER A 54 -15.598 22.737 7.326 1.00 0.00 O ATOM 805 CB SER A 54 -13.512 24.590 8.860 1.00 0.00 C ATOM 806 OG SER A 54 -14.018 25.266 9.998 1.00 0.00 O ATOM 0 H SER A 54 -11.766 22.833 9.128 1.00 0.00 H new ATOM 0 HA SER A 54 -14.588 22.924 9.687 1.00 0.00 H new ATOM 0 HB2 SER A 54 -12.433 24.730 8.800 1.00 0.00 H new ATOM 0 HB3 SER A 54 -13.940 25.023 7.956 1.00 0.00 H new ATOM 0 HG SER A 54 -13.797 26.219 9.938 1.00 0.00 H new ATOM 812 N MET A 55 -13.520 22.122 6.719 1.00 0.00 N ATOM 813 CA MET A 55 -13.929 21.642 5.404 1.00 0.00 C ATOM 814 C MET A 55 -14.721 20.344 5.521 1.00 0.00 C ATOM 815 O MET A 55 -15.834 20.237 5.006 1.00 0.00 O ATOM 816 CB MET A 55 -12.704 21.427 4.513 1.00 0.00 C ATOM 817 CG MET A 55 -12.016 22.719 4.104 1.00 0.00 C ATOM 818 SD MET A 55 -12.287 23.131 2.370 1.00 0.00 S ATOM 819 CE MET A 55 -10.911 22.280 1.600 1.00 0.00 C ATOM 0 H MET A 55 -12.522 22.030 6.911 1.00 0.00 H new ATOM 0 HA MET A 55 -14.570 22.398 4.952 1.00 0.00 H new ATOM 0 HB2 MET A 55 -11.989 20.795 5.039 1.00 0.00 H new ATOM 0 HB3 MET A 55 -13.007 20.887 3.616 1.00 0.00 H new ATOM 0 HG2 MET A 55 -12.381 23.534 4.729 1.00 0.00 H new ATOM 0 HG3 MET A 55 -10.946 22.631 4.289 1.00 0.00 H new ATOM 0 HE1 MET A 55 -10.791 22.634 0.576 1.00 0.00 H new ATOM 0 HE2 MET A 55 -9.999 22.480 2.162 1.00 0.00 H new ATOM 0 HE3 MET A 55 -11.105 21.207 1.593 1.00 0.00 H new ATOM 829 N TRP A 56 -14.141 19.362 6.201 1.00 0.00 N ATOM 830 CA TRP A 56 -14.793 18.070 6.385 1.00 0.00 C ATOM 831 C TRP A 56 -16.142 18.236 7.076 1.00 0.00 C ATOM 832 O TRP A 56 -17.094 17.513 6.781 1.00 0.00 O ATOM 833 CB TRP A 56 -13.899 17.135 7.201 1.00 0.00 C ATOM 834 CG TRP A 56 -14.577 15.856 7.591 1.00 0.00 C ATOM 835 CD1 TRP A 56 -15.203 15.588 8.775 1.00 0.00 C ATOM 836 CD2 TRP A 56 -14.693 14.671 6.796 1.00 0.00 C ATOM 837 NE1 TRP A 56 -15.702 14.308 8.763 1.00 0.00 N ATOM 838 CE2 TRP A 56 -15.403 13.725 7.560 1.00 0.00 C ATOM 839 CE3 TRP A 56 -14.269 14.319 5.512 1.00 0.00 C ATOM 840 CZ2 TRP A 56 -15.696 12.451 7.082 1.00 0.00 C ATOM 841 CZ3 TRP A 56 -14.560 13.053 5.039 1.00 0.00 C ATOM 842 CH2 TRP A 56 -15.268 12.132 5.822 1.00 0.00 C ATOM 0 H TRP A 56 -13.221 19.435 6.634 1.00 0.00 H new ATOM 0 HA TRP A 56 -14.961 17.632 5.401 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -13.005 16.902 6.623 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -13.570 17.653 8.102 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -15.293 16.280 9.599 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -16.212 13.864 9.526 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -13.724 15.023 4.900 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -16.242 11.740 7.684 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -14.236 12.769 4.049 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -15.480 11.151 5.423 1.00 0.00 H new ATOM 853 N ASP A 57 -16.217 19.190 7.997 1.00 0.00 N ATOM 854 CA ASP A 57 -17.451 19.451 8.730 1.00 0.00 C ATOM 855 C ASP A 57 -18.555 19.916 7.786 1.00 0.00 C ATOM 856 O ASP A 57 -19.731 19.923 8.146 1.00 0.00 O ATOM 857 CB ASP A 57 -17.212 20.503 9.815 1.00 0.00 C ATOM 858 CG ASP A 57 -17.911 20.161 11.116 1.00 0.00 C ATOM 859 OD1 ASP A 57 -17.324 19.414 11.926 1.00 0.00 O ATOM 860 OD2 ASP A 57 -19.045 20.640 11.324 1.00 0.00 O ATOM 0 H ASP A 57 -15.438 19.796 8.254 1.00 0.00 H new ATOM 0 HA ASP A 57 -17.769 18.521 9.201 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -16.141 20.598 9.995 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -17.563 21.472 9.461 1.00 0.00 H new ATOM 865 N GLY A 58 -18.167 20.307 6.576 1.00 0.00 N ATOM 866 CA GLY A 58 -19.136 20.770 5.600 1.00 0.00 C ATOM 867 C GLY A 58 -18.837 20.264 4.202 1.00 0.00 C ATOM 868 O GLY A 58 -18.947 21.010 3.228 1.00 0.00 O ATOM 0 H GLY A 58 -17.199 20.311 6.254 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -20.132 20.441 5.897 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -19.149 21.860 5.594 1.00 0.00 H new ATOM 872 N LEU A 59 -18.458 18.995 4.102 1.00 0.00 N ATOM 873 CA LEU A 59 -18.141 18.390 2.813 1.00 0.00 C ATOM 874 C LEU A 59 -19.395 17.828 2.152 1.00 0.00 C ATOM 875 O LEU A 59 -20.459 17.768 2.766 1.00 0.00 O ATOM 876 CB LEU A 59 -17.103 17.281 2.989 1.00 0.00 C ATOM 877 CG LEU A 59 -15.893 17.339 2.055 1.00 0.00 C ATOM 878 CD1 LEU A 59 -14.774 18.157 2.681 1.00 0.00 C ATOM 879 CD2 LEU A 59 -15.408 15.935 1.723 1.00 0.00 C ATOM 0 H LEU A 59 -18.363 18.365 4.898 1.00 0.00 H new ATOM 0 HA LEU A 59 -17.729 19.166 2.167 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -16.744 17.307 4.018 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -17.599 16.321 2.849 1.00 0.00 H new ATOM 0 HG LEU A 59 -16.197 17.826 1.128 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -13.922 18.187 2.002 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -15.126 19.172 2.867 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -14.472 17.699 3.623 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -14.547 15.995 1.058 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -15.122 15.422 2.641 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -16.208 15.380 1.232 1.00 0.00 H new ATOM 891 N GLY A 60 -19.261 17.415 0.895 1.00 0.00 N ATOM 892 CA GLY A 60 -20.391 16.861 0.172 1.00 0.00 C ATOM 893 C GLY A 60 -20.678 15.423 0.558 1.00 0.00 C ATOM 894 O GLY A 60 -19.795 14.569 0.490 1.00 0.00 O ATOM 0 H GLY A 60 -18.390 17.454 0.365 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -21.275 17.469 0.365 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -20.195 16.914 -0.899 1.00 0.00 H new ATOM 898 N GLU A 61 -21.915 15.156 0.965 1.00 0.00 N ATOM 899 CA GLU A 61 -22.313 13.812 1.365 1.00 0.00 C ATOM 900 C GLU A 61 -21.703 12.765 0.438 1.00 0.00 C ATOM 901 O GLU A 61 -21.288 11.695 0.882 1.00 0.00 O ATOM 902 CB GLU A 61 -23.838 13.686 1.362 1.00 0.00 C ATOM 903 CG GLU A 61 -24.400 13.073 2.634 1.00 0.00 C ATOM 904 CD GLU A 61 -25.762 12.441 2.423 1.00 0.00 C ATOM 905 OE1 GLU A 61 -26.669 13.136 1.919 1.00 0.00 O ATOM 906 OE2 GLU A 61 -25.922 11.249 2.763 1.00 0.00 O ATOM 0 H GLU A 61 -22.658 15.852 1.026 1.00 0.00 H new ATOM 0 HA GLU A 61 -21.943 13.637 2.375 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -24.276 14.674 1.221 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -24.142 13.078 0.510 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -23.707 12.319 3.007 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -24.476 13.843 3.402 1.00 0.00 H new ATOM 913 N GLU A 62 -21.654 13.083 -0.852 1.00 0.00 N ATOM 914 CA GLU A 62 -21.096 12.169 -1.842 1.00 0.00 C ATOM 915 C GLU A 62 -19.617 11.910 -1.571 1.00 0.00 C ATOM 916 O GLU A 62 -19.137 10.785 -1.713 1.00 0.00 O ATOM 917 CB GLU A 62 -21.276 12.737 -3.252 1.00 0.00 C ATOM 918 CG GLU A 62 -21.104 11.702 -4.351 1.00 0.00 C ATOM 919 CD GLU A 62 -21.045 12.324 -5.733 1.00 0.00 C ATOM 920 OE1 GLU A 62 -22.118 12.658 -6.278 1.00 0.00 O ATOM 921 OE2 GLU A 62 -19.928 12.476 -6.269 1.00 0.00 O ATOM 0 H GLU A 62 -21.993 13.965 -1.235 1.00 0.00 H new ATOM 0 HA GLU A 62 -21.632 11.223 -1.768 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -22.269 13.179 -3.333 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -20.556 13.541 -3.406 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -20.190 11.136 -4.172 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -21.931 10.993 -4.310 1.00 0.00 H new ATOM 928 N GLN A 63 -18.900 12.959 -1.182 1.00 0.00 N ATOM 929 CA GLN A 63 -17.475 12.846 -0.893 1.00 0.00 C ATOM 930 C GLN A 63 -17.241 12.050 0.387 1.00 0.00 C ATOM 931 O GLN A 63 -16.344 11.210 0.453 1.00 0.00 O ATOM 932 CB GLN A 63 -16.847 14.235 -0.767 1.00 0.00 C ATOM 933 CG GLN A 63 -16.743 14.978 -2.088 1.00 0.00 C ATOM 934 CD GLN A 63 -16.665 16.481 -1.908 1.00 0.00 C ATOM 935 OE1 GLN A 63 -15.593 17.033 -1.658 1.00 0.00 O ATOM 936 NE2 GLN A 63 -17.803 17.153 -2.035 1.00 0.00 N ATOM 0 H GLN A 63 -19.282 13.897 -1.060 1.00 0.00 H new ATOM 0 HA GLN A 63 -17.003 12.316 -1.720 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -17.438 14.830 -0.071 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -15.851 14.136 -0.336 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -15.859 14.634 -2.625 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -17.607 14.734 -2.706 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -18.669 16.655 -2.243 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -17.811 18.167 -1.925 1.00 0.00 H new ATOM 945 N LYS A 64 -18.054 12.321 1.403 1.00 0.00 N ATOM 946 CA LYS A 64 -17.937 11.630 2.681 1.00 0.00 C ATOM 947 C LYS A 64 -18.083 10.123 2.501 1.00 0.00 C ATOM 948 O LYS A 64 -17.350 9.343 3.108 1.00 0.00 O ATOM 949 CB LYS A 64 -18.996 12.143 3.660 1.00 0.00 C ATOM 950 CG LYS A 64 -18.855 13.618 3.992 1.00 0.00 C ATOM 951 CD LYS A 64 -19.102 13.883 5.467 1.00 0.00 C ATOM 952 CE LYS A 64 -18.389 15.143 5.934 1.00 0.00 C ATOM 953 NZ LYS A 64 -16.990 15.209 5.426 1.00 0.00 N ATOM 0 H LYS A 64 -18.801 13.015 1.366 1.00 0.00 H new ATOM 0 HA LYS A 64 -16.946 11.835 3.087 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -19.985 11.968 3.237 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -18.937 11.565 4.582 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -17.855 13.959 3.723 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -19.560 14.196 3.394 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -20.173 13.982 5.646 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -18.759 13.031 6.053 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -18.941 16.020 5.594 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -18.382 15.174 7.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -16.566 16.120 5.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -16.434 14.433 5.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -16.992 15.120 4.390 1.00 0.00 H new ATOM 967 N GLN A 65 -19.032 9.721 1.662 1.00 0.00 N ATOM 968 CA GLN A 65 -19.272 8.306 1.402 1.00 0.00 C ATOM 969 C GLN A 65 -18.028 7.640 0.825 1.00 0.00 C ATOM 970 O GLN A 65 -17.450 6.742 1.438 1.00 0.00 O ATOM 971 CB GLN A 65 -20.449 8.135 0.440 1.00 0.00 C ATOM 972 CG GLN A 65 -21.740 8.762 0.942 1.00 0.00 C ATOM 973 CD GLN A 65 -22.645 7.762 1.634 1.00 0.00 C ATOM 974 OE1 GLN A 65 -22.930 7.886 2.825 1.00 0.00 O ATOM 975 NE2 GLN A 65 -23.102 6.762 0.889 1.00 0.00 N ATOM 0 H GLN A 65 -19.647 10.354 1.151 1.00 0.00 H new ATOM 0 HA GLN A 65 -19.513 7.824 2.350 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -20.189 8.578 -0.521 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -20.614 7.072 0.267 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -21.502 9.570 1.634 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -22.273 9.208 0.102 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -22.840 6.698 -0.095 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -23.715 6.058 1.301 1.00 0.00 H new ATOM 984 N VAL A 66 -17.619 8.086 -0.359 1.00 0.00 N ATOM 985 CA VAL A 66 -16.442 7.533 -1.019 1.00 0.00 C ATOM 986 C VAL A 66 -15.273 7.412 -0.048 1.00 0.00 C ATOM 987 O VAL A 66 -14.501 6.455 -0.106 1.00 0.00 O ATOM 988 CB VAL A 66 -16.012 8.400 -2.218 1.00 0.00 C ATOM 989 CG1 VAL A 66 -15.789 9.840 -1.783 1.00 0.00 C ATOM 990 CG2 VAL A 66 -14.759 7.829 -2.865 1.00 0.00 C ATOM 0 H VAL A 66 -18.085 8.828 -0.880 1.00 0.00 H new ATOM 0 HA VAL A 66 -16.717 6.541 -1.377 1.00 0.00 H new ATOM 0 HB VAL A 66 -16.812 8.390 -2.958 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -15.486 10.437 -2.643 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -16.714 10.243 -1.370 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -15.007 9.874 -1.024 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -14.469 8.453 -3.710 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -13.950 7.808 -2.135 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -14.959 6.816 -3.214 1.00 0.00 H new ATOM 1000 N TYR A 67 -15.150 8.389 0.844 1.00 0.00 N ATOM 1001 CA TYR A 67 -14.073 8.393 1.828 1.00 0.00 C ATOM 1002 C TYR A 67 -14.246 7.256 2.830 1.00 0.00 C ATOM 1003 O TYR A 67 -13.294 6.544 3.151 1.00 0.00 O ATOM 1004 CB TYR A 67 -14.031 9.734 2.563 1.00 0.00 C ATOM 1005 CG TYR A 67 -13.287 10.814 1.810 1.00 0.00 C ATOM 1006 CD1 TYR A 67 -11.981 10.615 1.380 1.00 0.00 C ATOM 1007 CD2 TYR A 67 -13.890 12.034 1.530 1.00 0.00 C ATOM 1008 CE1 TYR A 67 -11.297 11.599 0.693 1.00 0.00 C ATOM 1009 CE2 TYR A 67 -13.215 13.023 0.841 1.00 0.00 C ATOM 1010 CZ TYR A 67 -11.919 12.801 0.425 1.00 0.00 C ATOM 1011 OH TYR A 67 -11.242 13.784 -0.259 1.00 0.00 O ATOM 0 H TYR A 67 -15.782 9.187 0.906 1.00 0.00 H new ATOM 0 HA TYR A 67 -13.131 8.246 1.299 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -15.051 10.069 2.749 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -13.561 9.591 3.536 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -11.492 9.674 1.586 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -14.904 12.212 1.857 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -10.281 11.428 0.368 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -13.699 13.965 0.629 1.00 0.00 H new ATOM 0 HH TYR A 67 -11.879 14.324 -0.772 1.00 0.00 H new ATOM 1021 N LYS A 68 -15.469 7.091 3.322 1.00 0.00 N ATOM 1022 CA LYS A 68 -15.771 6.040 4.287 1.00 0.00 C ATOM 1023 C LYS A 68 -15.775 4.671 3.616 1.00 0.00 C ATOM 1024 O LYS A 68 -15.553 3.649 4.266 1.00 0.00 O ATOM 1025 CB LYS A 68 -17.127 6.300 4.948 1.00 0.00 C ATOM 1026 CG LYS A 68 -17.318 7.738 5.398 1.00 0.00 C ATOM 1027 CD LYS A 68 -17.675 7.818 6.873 1.00 0.00 C ATOM 1028 CE LYS A 68 -19.139 7.484 7.112 1.00 0.00 C ATOM 1029 NZ LYS A 68 -19.456 7.382 8.563 1.00 0.00 N ATOM 0 H LYS A 68 -16.268 7.672 3.068 1.00 0.00 H new ATOM 0 HA LYS A 68 -14.994 6.049 5.051 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -17.920 6.039 4.247 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -17.234 5.641 5.810 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -16.404 8.303 5.213 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -18.106 8.204 4.806 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -17.047 7.129 7.438 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -17.464 8.820 7.245 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -19.765 8.251 6.657 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -19.381 6.542 6.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -20.463 7.153 8.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -18.877 6.633 8.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -19.249 8.289 9.028 1.00 0.00 H new ATOM 1043 N LYS A 69 -16.028 4.656 2.312 1.00 0.00 N ATOM 1044 CA LYS A 69 -16.059 3.413 1.551 1.00 0.00 C ATOM 1045 C LYS A 69 -14.646 2.953 1.203 1.00 0.00 C ATOM 1046 O LYS A 69 -14.361 1.756 1.174 1.00 0.00 O ATOM 1047 CB LYS A 69 -16.878 3.593 0.271 1.00 0.00 C ATOM 1048 CG LYS A 69 -18.359 3.312 0.453 1.00 0.00 C ATOM 1049 CD LYS A 69 -19.021 4.355 1.338 1.00 0.00 C ATOM 1050 CE LYS A 69 -20.191 3.768 2.112 1.00 0.00 C ATOM 1051 NZ LYS A 69 -20.062 4.005 3.577 1.00 0.00 N ATOM 0 H LYS A 69 -16.215 5.493 1.759 1.00 0.00 H new ATOM 0 HA LYS A 69 -16.529 2.649 2.170 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -16.752 4.614 -0.091 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -16.483 2.931 -0.499 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -18.849 3.296 -0.520 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -18.491 2.324 0.893 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -18.288 4.760 2.036 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -19.369 5.186 0.725 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -21.121 4.209 1.753 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -20.252 2.697 1.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -20.879 3.590 4.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -19.187 3.563 3.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -20.030 5.028 3.762 1.00 0.00 H new ATOM 1065 N LYS A 70 -13.765 3.912 0.941 1.00 0.00 N ATOM 1066 CA LYS A 70 -12.381 3.608 0.597 1.00 0.00 C ATOM 1067 C LYS A 70 -11.625 3.074 1.809 1.00 0.00 C ATOM 1068 O LYS A 70 -10.841 2.130 1.699 1.00 0.00 O ATOM 1069 CB LYS A 70 -11.682 4.856 0.055 1.00 0.00 C ATOM 1070 CG LYS A 70 -12.006 5.152 -1.399 1.00 0.00 C ATOM 1071 CD LYS A 70 -10.893 5.941 -2.069 1.00 0.00 C ATOM 1072 CE LYS A 70 -11.444 6.929 -3.085 1.00 0.00 C ATOM 1073 NZ LYS A 70 -10.892 6.689 -4.448 1.00 0.00 N ATOM 0 H LYS A 70 -13.985 4.908 0.960 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.385 2.838 -0.175 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -11.966 5.714 0.664 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.604 4.733 0.160 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.164 4.216 -1.935 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -12.938 5.714 -1.458 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -10.319 6.477 -1.313 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -10.206 5.255 -2.563 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -12.531 6.851 -3.114 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -11.205 7.945 -2.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -11.292 7.383 -5.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -9.857 6.788 -4.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -11.141 5.729 -4.759 1.00 0.00 H new ATOM 1087 N THR A 71 -11.865 3.682 2.967 1.00 0.00 N ATOM 1088 CA THR A 71 -11.207 3.268 4.199 1.00 0.00 C ATOM 1089 C THR A 71 -11.236 1.752 4.355 1.00 0.00 C ATOM 1090 O THR A 71 -10.216 1.130 4.651 1.00 0.00 O ATOM 1091 CB THR A 71 -11.867 3.913 5.432 1.00 0.00 C ATOM 1092 OG1 THR A 71 -12.429 5.182 5.080 1.00 0.00 O ATOM 1093 CG2 THR A 71 -10.856 4.093 6.555 1.00 0.00 C ATOM 0 H THR A 71 -12.511 4.464 3.077 1.00 0.00 H new ATOM 0 HA THR A 71 -10.172 3.604 4.133 1.00 0.00 H new ATOM 0 HB THR A 71 -12.659 3.251 5.781 1.00 0.00 H new ATOM 0 HG1 THR A 71 -12.705 5.654 5.893 1.00 0.00 H new ATOM 0 HG21 THR A 71 -11.345 4.550 7.415 1.00 0.00 H new ATOM 0 HG22 THR A 71 -10.453 3.121 6.841 1.00 0.00 H new ATOM 0 HG23 THR A 71 -10.045 4.736 6.215 1.00 0.00 H new ATOM 1101 N GLU A 72 -12.411 1.163 4.154 1.00 0.00 N ATOM 1102 CA GLU A 72 -12.571 -0.281 4.273 1.00 0.00 C ATOM 1103 C GLU A 72 -11.728 -1.010 3.230 1.00 0.00 C ATOM 1104 O GLU A 72 -10.951 -1.905 3.561 1.00 0.00 O ATOM 1105 CB GLU A 72 -14.043 -0.668 4.114 1.00 0.00 C ATOM 1106 CG GLU A 72 -14.919 -0.216 5.271 1.00 0.00 C ATOM 1107 CD GLU A 72 -15.917 -1.276 5.695 1.00 0.00 C ATOM 1108 OE1 GLU A 72 -15.485 -2.320 6.228 1.00 0.00 O ATOM 1109 OE2 GLU A 72 -17.131 -1.061 5.495 1.00 0.00 O ATOM 0 H GLU A 72 -13.265 1.664 3.908 1.00 0.00 H new ATOM 0 HA GLU A 72 -12.229 -0.578 5.264 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -14.426 -0.236 3.189 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -14.117 -1.751 4.015 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -14.287 0.044 6.120 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -15.455 0.689 4.984 1.00 0.00 H new ATOM 1116 N ALA A 73 -11.888 -0.619 1.970 1.00 0.00 N ATOM 1117 CA ALA A 73 -11.141 -1.234 0.879 1.00 0.00 C ATOM 1118 C ALA A 73 -9.638 -1.079 1.088 1.00 0.00 C ATOM 1119 O ALA A 73 -8.851 -1.916 0.647 1.00 0.00 O ATOM 1120 CB ALA A 73 -11.556 -0.627 -0.452 1.00 0.00 C ATOM 0 H ALA A 73 -12.528 0.120 1.679 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.372 -2.299 0.868 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -10.990 -1.095 -1.258 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.621 -0.794 -0.612 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -11.354 0.444 -0.442 1.00 0.00 H new ATOM 1126 N ALA A 74 -9.247 -0.002 1.762 1.00 0.00 N ATOM 1127 CA ALA A 74 -7.838 0.261 2.030 1.00 0.00 C ATOM 1128 C ALA A 74 -7.339 -0.568 3.208 1.00 0.00 C ATOM 1129 O ALA A 74 -6.478 -1.434 3.051 1.00 0.00 O ATOM 1130 CB ALA A 74 -7.620 1.743 2.294 1.00 0.00 C ATOM 0 H ALA A 74 -9.886 0.702 2.132 1.00 0.00 H new ATOM 0 HA ALA A 74 -7.265 -0.028 1.149 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -6.564 1.926 2.493 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -7.930 2.317 1.421 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.210 2.049 3.158 1.00 0.00 H new ATOM 1136 N LYS A 75 -7.884 -0.297 4.389 1.00 0.00 N ATOM 1137 CA LYS A 75 -7.494 -1.017 5.595 1.00 0.00 C ATOM 1138 C LYS A 75 -7.532 -2.525 5.364 1.00 0.00 C ATOM 1139 O LYS A 75 -6.622 -3.248 5.770 1.00 0.00 O ATOM 1140 CB LYS A 75 -8.419 -0.646 6.757 1.00 0.00 C ATOM 1141 CG LYS A 75 -9.765 -1.349 6.712 1.00 0.00 C ATOM 1142 CD LYS A 75 -10.582 -1.069 7.962 1.00 0.00 C ATOM 1143 CE LYS A 75 -10.524 -2.234 8.938 1.00 0.00 C ATOM 1144 NZ LYS A 75 -11.880 -2.766 9.248 1.00 0.00 N ATOM 0 H LYS A 75 -8.598 0.417 4.537 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.473 -0.730 5.845 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -7.923 -0.889 7.697 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -8.581 0.432 6.751 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.319 -1.020 5.833 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.612 -2.423 6.609 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -10.209 -0.167 8.447 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -11.618 -0.876 7.685 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -9.909 -3.030 8.518 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -10.041 -1.911 9.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -11.798 -3.559 9.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -12.459 -2.014 9.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -12.332 -3.098 8.372 1.00 0.00 H new ATOM 1158 N LYS A 76 -8.589 -2.992 4.709 1.00 0.00 N ATOM 1159 CA LYS A 76 -8.744 -4.413 4.421 1.00 0.00 C ATOM 1160 C LYS A 76 -7.521 -4.957 3.689 1.00 0.00 C ATOM 1161 O LYS A 76 -6.913 -5.935 4.120 1.00 0.00 O ATOM 1162 CB LYS A 76 -10.001 -4.650 3.581 1.00 0.00 C ATOM 1163 CG LYS A 76 -11.274 -4.738 4.404 1.00 0.00 C ATOM 1164 CD LYS A 76 -12.512 -4.593 3.534 1.00 0.00 C ATOM 1165 CE LYS A 76 -13.690 -5.365 4.108 1.00 0.00 C ATOM 1166 NZ LYS A 76 -14.983 -4.923 3.517 1.00 0.00 N ATOM 0 H LYS A 76 -9.352 -2.407 4.367 1.00 0.00 H new ATOM 0 HA LYS A 76 -8.843 -4.941 5.369 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.102 -3.842 2.857 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -9.880 -5.573 3.014 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -11.305 -5.694 4.926 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -11.270 -3.959 5.166 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -12.775 -3.539 3.446 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -12.295 -4.953 2.528 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -13.551 -6.430 3.923 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -13.720 -5.231 5.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -15.761 -5.473 3.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -15.128 -3.912 3.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -14.964 -5.075 2.488 1.00 0.00 H new ATOM 1180 N GLU A 77 -7.166 -4.314 2.580 1.00 0.00 N ATOM 1181 CA GLU A 77 -6.015 -4.734 1.790 1.00 0.00 C ATOM 1182 C GLU A 77 -4.720 -4.556 2.577 1.00 0.00 C ATOM 1183 O GLU A 77 -3.816 -5.389 2.503 1.00 0.00 O ATOM 1184 CB GLU A 77 -5.945 -3.936 0.486 1.00 0.00 C ATOM 1185 CG GLU A 77 -4.989 -2.756 0.544 1.00 0.00 C ATOM 1186 CD GLU A 77 -4.835 -2.064 -0.796 1.00 0.00 C ATOM 1187 OE1 GLU A 77 -4.224 -2.663 -1.706 1.00 0.00 O ATOM 1188 OE2 GLU A 77 -5.324 -0.923 -0.935 1.00 0.00 O ATOM 0 H GLU A 77 -7.659 -3.501 2.209 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.135 -5.792 1.555 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -5.639 -4.601 -0.321 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -6.942 -3.573 0.238 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -5.349 -2.038 1.281 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -4.013 -3.100 0.885 1.00 0.00 H new ATOM 1195 N TYR A 78 -4.638 -3.465 3.330 1.00 0.00 N ATOM 1196 CA TYR A 78 -3.453 -3.175 4.129 1.00 0.00 C ATOM 1197 C TYR A 78 -3.095 -4.359 5.022 1.00 0.00 C ATOM 1198 O TYR A 78 -1.920 -4.646 5.252 1.00 0.00 O ATOM 1199 CB TYR A 78 -3.682 -1.928 4.985 1.00 0.00 C ATOM 1200 CG TYR A 78 -2.694 -1.783 6.121 1.00 0.00 C ATOM 1201 CD1 TYR A 78 -1.350 -1.539 5.872 1.00 0.00 C ATOM 1202 CD2 TYR A 78 -3.107 -1.890 7.443 1.00 0.00 C ATOM 1203 CE1 TYR A 78 -0.444 -1.407 6.906 1.00 0.00 C ATOM 1204 CE2 TYR A 78 -2.208 -1.758 8.484 1.00 0.00 C ATOM 1205 CZ TYR A 78 -0.878 -1.517 8.211 1.00 0.00 C ATOM 1206 OH TYR A 78 0.021 -1.384 9.244 1.00 0.00 O ATOM 0 H TYR A 78 -5.378 -2.767 3.404 1.00 0.00 H new ATOM 0 HA TYR A 78 -2.622 -2.993 3.447 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -3.623 -1.045 4.349 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -4.692 -1.959 5.395 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -1.007 -1.451 4.852 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -4.148 -2.079 7.661 1.00 0.00 H new ATOM 0 HE1 TYR A 78 0.598 -1.219 6.694 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -2.545 -1.843 9.506 1.00 0.00 H new ATOM 0 HH TYR A 78 -0.446 -1.487 10.099 1.00 0.00 H new ATOM 1216 N LEU A 79 -4.117 -5.044 5.523 1.00 0.00 N ATOM 1217 CA LEU A 79 -3.913 -6.199 6.391 1.00 0.00 C ATOM 1218 C LEU A 79 -3.294 -7.358 5.617 1.00 0.00 C ATOM 1219 O LEU A 79 -2.277 -7.919 6.026 1.00 0.00 O ATOM 1220 CB LEU A 79 -5.241 -6.636 7.012 1.00 0.00 C ATOM 1221 CG LEU A 79 -5.991 -5.570 7.812 1.00 0.00 C ATOM 1222 CD1 LEU A 79 -7.483 -5.863 7.823 1.00 0.00 C ATOM 1223 CD2 LEU A 79 -5.451 -5.491 9.232 1.00 0.00 C ATOM 0 H LEU A 79 -5.096 -4.820 5.343 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.226 -5.909 7.186 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.894 -6.989 6.214 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -5.051 -7.486 7.667 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.834 -4.605 7.331 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -8.001 -5.094 8.397 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -7.860 -5.868 6.800 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -7.659 -6.837 8.280 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -5.996 -4.727 9.787 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -5.577 -6.456 9.723 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.392 -5.233 9.205 1.00 0.00 H new