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= -0.163 USER MOD Single : A 32 THR OG1 : rot 168:sc= 1.07 USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-0.51!) USER MOD Single : A 37 LYS NZ :NH3+ -120:sc= 0.664 (180deg=-0.122) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 ASN : amide:sc= -0.0974 X(o=-0.097,f=-0.17) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot 54:sc= 0.306 USER MOD Single : A 49 SER OG : rot 74:sc= 0.304 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 -170:sc= -0.807 (180deg=-0.965) 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= -1.89 K(o=-1.9,f=-5.1!) USER MOD Single : A 67 TYR OH : rot 150:sc= -0.164 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.222) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 74:sc= 0.445 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 -3.425 2.658 5.428 1.00 0.00 N ATOM 307 CA PRO A 21 -4.361 3.716 5.039 1.00 0.00 C ATOM 308 C PRO A 21 -4.869 4.511 6.237 1.00 0.00 C ATOM 309 O PRO A 21 -4.916 4.003 7.357 1.00 0.00 O ATOM 310 CB PRO A 21 -5.510 2.948 4.380 1.00 0.00 C ATOM 311 CG PRO A 21 -5.454 1.589 4.987 1.00 0.00 C ATOM 312 CD PRO A 21 -4.000 1.314 5.253 1.00 0.00 C ATOM 0 HA PRO A 21 -3.894 4.454 4.387 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -6.469 3.428 4.573 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -5.387 2.904 3.298 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -6.034 1.549 5.909 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -5.875 0.843 4.313 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -3.864 0.700 6.143 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -3.533 0.782 4.424 1.00 0.00 H new ATOM 320 N VAL A 22 -5.249 5.762 5.993 1.00 0.00 N ATOM 321 CA VAL A 22 -5.755 6.627 7.052 1.00 0.00 C ATOM 322 C VAL A 22 -7.278 6.601 7.102 1.00 0.00 C ATOM 323 O VAL A 22 -7.937 6.299 6.106 1.00 0.00 O ATOM 324 CB VAL A 22 -5.283 8.081 6.863 1.00 0.00 C ATOM 325 CG1 VAL A 22 -3.769 8.137 6.723 1.00 0.00 C ATOM 326 CG2 VAL A 22 -5.961 8.708 5.655 1.00 0.00 C ATOM 0 H VAL A 22 -5.216 6.198 5.072 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.357 6.243 7.991 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.564 8.654 7.747 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.454 9.172 6.590 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.305 7.729 7.621 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.462 7.550 5.857 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.616 9.735 5.536 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.713 8.136 4.761 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.041 8.703 5.801 1.00 0.00 H new ATOM 336 N SER A 23 -7.833 6.921 8.267 1.00 0.00 N ATOM 337 CA SER A 23 -9.280 6.931 8.447 1.00 0.00 C ATOM 338 C SER A 23 -9.957 7.755 7.357 1.00 0.00 C ATOM 339 O SER A 23 -9.296 8.462 6.597 1.00 0.00 O ATOM 340 CB SER A 23 -9.639 7.493 9.824 1.00 0.00 C ATOM 341 OG SER A 23 -10.855 6.941 10.299 1.00 0.00 O ATOM 0 H SER A 23 -7.303 7.177 9.100 1.00 0.00 H new ATOM 0 HA SER A 23 -9.638 5.904 8.377 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.837 7.275 10.529 1.00 0.00 H new ATOM 0 HB3 SER A 23 -9.727 8.578 9.766 1.00 0.00 H new ATOM 0 HG SER A 23 -11.061 7.315 11.181 1.00 0.00 H new ATOM 347 N ALA A 24 -11.281 7.658 7.287 1.00 0.00 N ATOM 348 CA ALA A 24 -12.050 8.395 6.292 1.00 0.00 C ATOM 349 C ALA A 24 -11.717 9.883 6.333 1.00 0.00 C ATOM 350 O ALA A 24 -11.173 10.434 5.376 1.00 0.00 O ATOM 351 CB ALA A 24 -13.540 8.179 6.510 1.00 0.00 C ATOM 0 H ALA A 24 -11.843 7.076 7.908 1.00 0.00 H new ATOM 0 HA ALA A 24 -11.780 8.016 5.306 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -14.102 8.735 5.760 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -13.770 7.117 6.422 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -13.817 8.529 7.504 1.00 0.00 H new ATOM 357 N TYR A 25 -12.048 10.527 7.447 1.00 0.00 N ATOM 358 CA TYR A 25 -11.788 11.953 7.611 1.00 0.00 C ATOM 359 C TYR A 25 -10.309 12.264 7.400 1.00 0.00 C ATOM 360 O TYR A 25 -9.939 13.398 7.098 1.00 0.00 O ATOM 361 CB TYR A 25 -12.224 12.415 9.002 1.00 0.00 C ATOM 362 CG TYR A 25 -11.679 13.771 9.388 1.00 0.00 C ATOM 363 CD1 TYR A 25 -11.860 14.875 8.564 1.00 0.00 C ATOM 364 CD2 TYR A 25 -10.983 13.949 10.578 1.00 0.00 C ATOM 365 CE1 TYR A 25 -11.362 16.116 8.913 1.00 0.00 C ATOM 366 CE2 TYR A 25 -10.483 15.186 10.935 1.00 0.00 C ATOM 367 CZ TYR A 25 -10.675 16.266 10.099 1.00 0.00 C ATOM 368 OH TYR A 25 -10.179 17.501 10.451 1.00 0.00 O ATOM 0 H TYR A 25 -12.497 10.085 8.249 1.00 0.00 H new ATOM 0 HA TYR A 25 -12.365 12.491 6.859 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -13.313 12.446 9.041 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -11.900 11.679 9.738 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -12.399 14.761 7.635 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -10.831 13.105 11.235 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -11.510 16.964 8.260 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -9.945 15.307 11.863 1.00 0.00 H new ATOM 0 HH TYR A 25 -9.722 17.436 11.316 1.00 0.00 H new ATOM 378 N ALA A 26 -9.468 11.247 7.561 1.00 0.00 N ATOM 379 CA ALA A 26 -8.030 11.410 7.386 1.00 0.00 C ATOM 380 C ALA A 26 -7.650 11.381 5.910 1.00 0.00 C ATOM 381 O ALA A 26 -6.768 12.120 5.470 1.00 0.00 O ATOM 382 CB ALA A 26 -7.280 10.328 8.148 1.00 0.00 C ATOM 0 H ALA A 26 -9.758 10.302 7.812 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.748 12.383 7.787 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.207 10.462 8.008 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -7.519 10.398 9.209 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.575 9.348 7.773 1.00 0.00 H new ATOM 388 N LEU A 27 -8.320 10.523 5.148 1.00 0.00 N ATOM 389 CA LEU A 27 -8.052 10.397 3.720 1.00 0.00 C ATOM 390 C LEU A 27 -8.302 11.718 3.000 1.00 0.00 C ATOM 391 O LEU A 27 -7.670 12.014 1.985 1.00 0.00 O ATOM 392 CB LEU A 27 -8.926 9.299 3.112 1.00 0.00 C ATOM 393 CG LEU A 27 -8.283 7.917 2.994 1.00 0.00 C ATOM 394 CD1 LEU A 27 -9.343 6.828 3.050 1.00 0.00 C ATOM 395 CD2 LEU A 27 -7.475 7.812 1.708 1.00 0.00 C ATOM 0 H LEU A 27 -9.053 9.904 5.496 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.003 10.129 3.595 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.830 9.207 3.714 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.237 9.619 2.118 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.606 7.780 3.837 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -8.866 5.852 2.964 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -9.878 6.889 3.998 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -10.046 6.962 2.228 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.025 6.822 1.641 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.131 7.971 0.852 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.690 8.568 1.709 1.00 0.00 H new ATOM 407 N PHE A 28 -9.226 12.511 3.533 1.00 0.00 N ATOM 408 CA PHE A 28 -9.559 13.802 2.942 1.00 0.00 C ATOM 409 C PHE A 28 -8.559 14.871 3.373 1.00 0.00 C ATOM 410 O PHE A 28 -8.465 15.933 2.757 1.00 0.00 O ATOM 411 CB PHE A 28 -10.975 14.221 3.343 1.00 0.00 C ATOM 412 CG PHE A 28 -11.304 15.642 2.987 1.00 0.00 C ATOM 413 CD1 PHE A 28 -11.652 15.982 1.690 1.00 0.00 C ATOM 414 CD2 PHE A 28 -11.264 16.638 3.949 1.00 0.00 C ATOM 415 CE1 PHE A 28 -11.954 17.290 1.359 1.00 0.00 C ATOM 416 CE2 PHE A 28 -11.565 17.948 3.624 1.00 0.00 C ATOM 417 CZ PHE A 28 -11.912 18.273 2.328 1.00 0.00 C ATOM 0 H PHE A 28 -9.757 12.282 4.373 1.00 0.00 H new ATOM 0 HA PHE A 28 -9.511 13.700 1.858 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -11.692 13.558 2.858 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -11.094 14.088 4.418 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -11.688 15.217 0.929 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -10.995 16.388 4.965 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -12.222 17.543 0.344 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -11.529 18.716 4.383 1.00 0.00 H new ATOM 0 HZ PHE A 28 -12.150 19.295 2.072 1.00 0.00 H new ATOM 427 N PHE A 29 -7.815 14.583 4.436 1.00 0.00 N ATOM 428 CA PHE A 29 -6.823 15.519 4.951 1.00 0.00 C ATOM 429 C PHE A 29 -5.536 15.453 4.134 1.00 0.00 C ATOM 430 O PHE A 29 -4.973 16.482 3.759 1.00 0.00 O ATOM 431 CB PHE A 29 -6.523 15.219 6.421 1.00 0.00 C ATOM 432 CG PHE A 29 -5.610 16.224 7.064 1.00 0.00 C ATOM 433 CD1 PHE A 29 -4.238 16.142 6.891 1.00 0.00 C ATOM 434 CD2 PHE A 29 -6.124 17.249 7.841 1.00 0.00 C ATOM 435 CE1 PHE A 29 -3.394 17.065 7.481 1.00 0.00 C ATOM 436 CE2 PHE A 29 -5.286 18.175 8.433 1.00 0.00 C ATOM 437 CZ PHE A 29 -3.920 18.082 8.254 1.00 0.00 C ATOM 0 H PHE A 29 -7.880 13.709 4.957 1.00 0.00 H new ATOM 0 HA PHE A 29 -7.233 16.526 4.869 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -7.461 15.185 6.975 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -6.072 14.230 6.497 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.823 15.348 6.288 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -7.192 17.325 7.986 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.326 16.991 7.338 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -5.699 18.971 9.035 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.264 18.803 8.718 1.00 0.00 H new ATOM 447 N ARG A 30 -5.077 14.236 3.862 1.00 0.00 N ATOM 448 CA ARG A 30 -3.856 14.035 3.091 1.00 0.00 C ATOM 449 C ARG A 30 -4.059 14.445 1.635 1.00 0.00 C ATOM 450 O ARG A 30 -3.095 14.683 0.907 1.00 0.00 O ATOM 451 CB ARG A 30 -3.418 12.571 3.162 1.00 0.00 C ATOM 452 CG ARG A 30 -4.470 11.595 2.661 1.00 0.00 C ATOM 453 CD ARG A 30 -3.935 10.172 2.621 1.00 0.00 C ATOM 454 NE ARG A 30 -3.325 9.852 1.334 1.00 0.00 N ATOM 455 CZ ARG A 30 -2.044 10.062 1.055 1.00 0.00 C ATOM 456 NH1 ARG A 30 -1.241 10.590 1.969 1.00 0.00 N ATOM 457 NH2 ARG A 30 -1.562 9.745 -0.140 1.00 0.00 N ATOM 0 H ARG A 30 -5.532 13.374 4.164 1.00 0.00 H new ATOM 0 HA ARG A 30 -3.076 14.662 3.523 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -2.508 12.444 2.575 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -3.169 12.325 4.194 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -5.346 11.638 3.309 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -4.797 11.890 1.664 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -3.199 10.039 3.414 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -4.748 9.474 2.820 1.00 0.00 H new ATOM 0 HE ARG A 30 -3.916 9.445 0.609 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -1.607 10.836 2.889 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -0.257 10.750 1.752 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -2.176 9.339 -0.846 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -0.578 9.907 -0.352 1.00 0.00 H new ATOM 471 N ASP A 31 -5.318 14.526 1.218 1.00 0.00 N ATOM 472 CA ASP A 31 -5.647 14.909 -0.150 1.00 0.00 C ATOM 473 C ASP A 31 -5.921 16.406 -0.245 1.00 0.00 C ATOM 474 O ASP A 31 -5.576 17.051 -1.236 1.00 0.00 O ATOM 475 CB ASP A 31 -6.863 14.123 -0.643 1.00 0.00 C ATOM 476 CG ASP A 31 -6.501 13.097 -1.698 1.00 0.00 C ATOM 477 OD1 ASP A 31 -5.914 12.055 -1.336 1.00 0.00 O ATOM 478 OD2 ASP A 31 -6.804 13.335 -2.886 1.00 0.00 O ATOM 0 H ASP A 31 -6.127 14.332 1.808 1.00 0.00 H new ATOM 0 HA ASP A 31 -4.791 14.674 -0.783 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -7.334 13.620 0.202 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -7.598 14.816 -1.052 1.00 0.00 H new ATOM 483 N THR A 32 -6.545 16.956 0.793 1.00 0.00 N ATOM 484 CA THR A 32 -6.867 18.377 0.826 1.00 0.00 C ATOM 485 C THR A 32 -5.684 19.197 1.326 1.00 0.00 C ATOM 486 O THR A 32 -5.278 20.168 0.688 1.00 0.00 O ATOM 487 CB THR A 32 -8.087 18.655 1.724 1.00 0.00 C ATOM 488 OG1 THR A 32 -9.231 17.951 1.229 1.00 0.00 O ATOM 489 CG2 THR A 32 -8.388 20.145 1.782 1.00 0.00 C ATOM 0 H THR A 32 -6.837 16.438 1.622 1.00 0.00 H new ATOM 0 HA THR A 32 -7.103 18.672 -0.196 1.00 0.00 H new ATOM 0 HB THR A 32 -7.855 18.308 2.731 1.00 0.00 H new ATOM 0 HG1 THR A 32 -9.946 17.978 1.898 1.00 0.00 H new ATOM 0 HG21 THR A 32 -9.253 20.317 2.422 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.526 20.675 2.187 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.600 20.513 0.778 1.00 0.00 H new ATOM 497 N GLN A 33 -5.136 18.800 2.470 1.00 0.00 N ATOM 498 CA GLN A 33 -3.998 19.501 3.055 1.00 0.00 C ATOM 499 C GLN A 33 -3.076 20.044 1.968 1.00 0.00 C ATOM 500 O GLN A 33 -2.870 21.252 1.862 1.00 0.00 O ATOM 501 CB GLN A 33 -3.219 18.566 3.981 1.00 0.00 C ATOM 502 CG GLN A 33 -1.918 19.164 4.494 1.00 0.00 C ATOM 503 CD GLN A 33 -0.789 18.153 4.535 1.00 0.00 C ATOM 504 OE1 GLN A 33 -0.795 17.231 5.351 1.00 0.00 O ATOM 505 NE2 GLN A 33 0.190 18.322 3.653 1.00 0.00 N ATOM 0 H GLN A 33 -5.461 17.998 3.010 1.00 0.00 H new ATOM 0 HA GLN A 33 -4.379 20.341 3.635 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -3.848 18.303 4.831 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.999 17.641 3.448 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -1.630 20.000 3.856 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -2.077 19.567 5.494 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.155 19.100 2.995 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.977 17.674 3.634 1.00 0.00 H new ATOM 514 N ALA A 34 -2.523 19.142 1.163 1.00 0.00 N ATOM 515 CA ALA A 34 -1.624 19.531 0.084 1.00 0.00 C ATOM 516 C ALA A 34 -2.119 20.793 -0.615 1.00 0.00 C ATOM 517 O ALA A 34 -1.391 21.778 -0.727 1.00 0.00 O ATOM 518 CB ALA A 34 -1.478 18.394 -0.917 1.00 0.00 C ATOM 0 H ALA A 34 -2.682 18.137 1.238 1.00 0.00 H new ATOM 0 HA ALA A 34 -0.648 19.747 0.518 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.804 18.698 -1.718 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -1.071 17.517 -0.414 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.454 18.152 -1.337 1.00 0.00 H new ATOM 524 N ALA A 35 -3.362 20.755 -1.084 1.00 0.00 N ATOM 525 CA ALA A 35 -3.954 21.896 -1.771 1.00 0.00 C ATOM 526 C ALA A 35 -3.973 23.128 -0.873 1.00 0.00 C ATOM 527 O ALA A 35 -3.760 24.249 -1.337 1.00 0.00 O ATOM 528 CB ALA A 35 -5.363 21.558 -2.237 1.00 0.00 C ATOM 0 H ALA A 35 -3.978 19.946 -1.001 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.340 22.123 -2.642 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.793 22.419 -2.748 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.326 20.710 -2.921 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -5.980 21.302 -1.375 1.00 0.00 H new ATOM 534 N ILE A 36 -4.230 22.914 0.413 1.00 0.00 N ATOM 535 CA ILE A 36 -4.276 24.007 1.375 1.00 0.00 C ATOM 536 C ILE A 36 -2.900 24.641 1.553 1.00 0.00 C ATOM 537 O ILE A 36 -2.701 25.817 1.245 1.00 0.00 O ATOM 538 CB ILE A 36 -4.789 23.530 2.746 1.00 0.00 C ATOM 539 CG1 ILE A 36 -6.068 22.707 2.577 1.00 0.00 C ATOM 540 CG2 ILE A 36 -5.036 24.719 3.663 1.00 0.00 C ATOM 541 CD1 ILE A 36 -7.128 23.400 1.751 1.00 0.00 C ATOM 0 H ILE A 36 -4.410 21.993 0.813 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.967 24.749 0.976 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.028 22.897 3.202 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.818 21.755 2.108 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -6.477 22.480 3.562 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.398 24.365 4.628 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.106 25.269 3.804 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.781 25.376 3.214 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -8.006 22.758 1.673 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.406 24.339 2.230 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -6.737 23.603 0.754 1.00 0.00 H new ATOM 553 N LYS A 37 -1.952 23.855 2.050 1.00 0.00 N ATOM 554 CA LYS A 37 -0.593 24.336 2.266 1.00 0.00 C ATOM 555 C LYS A 37 -0.033 24.974 0.998 1.00 0.00 C ATOM 556 O LYS A 37 0.582 26.038 1.046 1.00 0.00 O ATOM 557 CB LYS A 37 0.313 23.187 2.714 1.00 0.00 C ATOM 558 CG LYS A 37 1.213 23.543 3.884 1.00 0.00 C ATOM 559 CD LYS A 37 2.263 24.567 3.489 1.00 0.00 C ATOM 560 CE LYS A 37 3.670 24.004 3.624 1.00 0.00 C ATOM 561 NZ LYS A 37 4.631 25.027 4.122 1.00 0.00 N ATOM 0 H LYS A 37 -2.100 22.880 2.311 1.00 0.00 H new ATOM 0 HA LYS A 37 -0.624 25.093 3.050 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -0.306 22.333 2.989 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.931 22.874 1.873 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.609 23.937 4.702 1.00 0.00 H new ATOM 0 HG3 LYS A 37 1.703 22.643 4.254 1.00 0.00 H new ATOM 0 HD2 LYS A 37 2.094 24.884 2.460 1.00 0.00 H new ATOM 0 HD3 LYS A 37 2.163 25.453 4.116 1.00 0.00 H new ATOM 0 HE2 LYS A 37 3.657 23.155 4.307 1.00 0.00 H new ATOM 0 HE3 LYS A 37 4.006 23.630 2.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 5.385 25.166 3.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 4.132 25.926 4.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 5.048 24.704 5.019 1.00 0.00 H new ATOM 575 N GLY A 38 -0.252 24.315 -0.136 1.00 0.00 N ATOM 576 CA GLY A 38 0.236 24.833 -1.401 1.00 0.00 C ATOM 577 C GLY A 38 -0.125 26.291 -1.608 1.00 0.00 C ATOM 578 O GLY A 38 0.691 27.076 -2.089 1.00 0.00 O ATOM 0 H GLY A 38 -0.758 23.432 -0.201 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.319 24.721 -1.443 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.177 24.240 -2.217 1.00 0.00 H new ATOM 582 N GLN A 39 -1.352 26.652 -1.246 1.00 0.00 N ATOM 583 CA GLN A 39 -1.820 28.025 -1.398 1.00 0.00 C ATOM 584 C GLN A 39 -1.280 28.911 -0.280 1.00 0.00 C ATOM 585 O GLN A 39 -1.081 30.110 -0.466 1.00 0.00 O ATOM 586 CB GLN A 39 -3.349 28.067 -1.405 1.00 0.00 C ATOM 587 CG GLN A 39 -3.956 27.894 -2.787 1.00 0.00 C ATOM 588 CD GLN A 39 -5.472 27.910 -2.765 1.00 0.00 C ATOM 589 OE1 GLN A 39 -6.091 28.967 -2.636 1.00 0.00 O ATOM 590 NE2 GLN A 39 -6.079 26.736 -2.892 1.00 0.00 N ATOM 0 H GLN A 39 -2.039 26.014 -0.846 1.00 0.00 H new ATOM 0 HA GLN A 39 -1.449 28.406 -2.350 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -3.729 27.283 -0.750 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -3.680 29.018 -0.988 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -3.598 28.690 -3.439 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -3.613 26.952 -3.215 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -5.527 25.885 -2.997 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -7.098 26.685 -2.885 1.00 0.00 H new ATOM 599 N ASN A 40 -1.044 28.311 0.882 1.00 0.00 N ATOM 600 CA ASN A 40 -0.528 29.046 2.031 1.00 0.00 C ATOM 601 C ASN A 40 0.643 28.304 2.670 1.00 0.00 C ATOM 602 O ASN A 40 0.492 27.595 3.665 1.00 0.00 O ATOM 603 CB ASN A 40 -1.635 29.261 3.065 1.00 0.00 C ATOM 604 CG ASN A 40 -2.996 29.450 2.424 1.00 0.00 C ATOM 605 OD1 ASN A 40 -3.225 30.421 1.702 1.00 0.00 O ATOM 606 ND2 ASN A 40 -3.908 28.521 2.686 1.00 0.00 N ATOM 0 H ASN A 40 -1.202 27.318 1.053 1.00 0.00 H new ATOM 0 HA ASN A 40 -0.174 30.016 1.681 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -1.670 28.405 3.739 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -1.397 30.135 3.671 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -4.842 28.595 2.283 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -3.674 27.733 3.290 1.00 0.00 H new ATOM 613 N PRO A 41 1.838 28.472 2.086 1.00 0.00 N ATOM 614 CA PRO A 41 3.059 27.828 2.582 1.00 0.00 C ATOM 615 C PRO A 41 3.519 28.407 3.915 1.00 0.00 C ATOM 616 O PRO A 41 4.348 27.816 4.605 1.00 0.00 O ATOM 617 CB PRO A 41 4.086 28.124 1.486 1.00 0.00 C ATOM 618 CG PRO A 41 3.593 29.367 0.830 1.00 0.00 C ATOM 619 CD PRO A 41 2.092 29.303 0.897 1.00 0.00 C ATOM 0 HA PRO A 41 2.912 26.765 2.771 1.00 0.00 H new ATOM 0 HB2 PRO A 41 5.082 28.266 1.905 1.00 0.00 H new ATOM 0 HB3 PRO A 41 4.154 27.301 0.774 1.00 0.00 H new ATOM 0 HG2 PRO A 41 3.969 30.253 1.341 1.00 0.00 H new ATOM 0 HG3 PRO A 41 3.935 29.425 -0.203 1.00 0.00 H new ATOM 0 HD2 PRO A 41 1.652 30.295 0.999 1.00 0.00 H new ATOM 0 HD3 PRO A 41 1.668 28.857 -0.003 1.00 0.00 H new ATOM 627 N ASN A 42 2.976 29.567 4.270 1.00 0.00 N ATOM 628 CA ASN A 42 3.332 30.226 5.522 1.00 0.00 C ATOM 629 C ASN A 42 2.727 29.491 6.715 1.00 0.00 C ATOM 630 O ASN A 42 3.303 29.472 7.802 1.00 0.00 O ATOM 631 CB ASN A 42 2.856 31.680 5.509 1.00 0.00 C ATOM 632 CG ASN A 42 3.970 32.655 5.839 1.00 0.00 C ATOM 633 OD1 ASN A 42 4.028 33.198 6.943 1.00 0.00 O ATOM 634 ND2 ASN A 42 4.860 32.882 4.881 1.00 0.00 N ATOM 0 H ASN A 42 2.288 30.070 3.709 1.00 0.00 H new ATOM 0 HA ASN A 42 4.418 30.207 5.619 1.00 0.00 H new ATOM 0 HB2 ASN A 42 2.448 31.917 4.526 1.00 0.00 H new ATOM 0 HB3 ASN A 42 2.046 31.801 6.228 1.00 0.00 H new ATOM 0 HD21 ASN A 42 5.632 33.529 5.045 1.00 0.00 H new ATOM 0 HD22 ASN A 42 4.773 32.410 3.981 1.00 0.00 H new ATOM 641 N ALA A 43 1.562 28.887 6.502 1.00 0.00 N ATOM 642 CA ALA A 43 0.881 28.149 7.558 1.00 0.00 C ATOM 643 C ALA A 43 1.830 27.175 8.247 1.00 0.00 C ATOM 644 O ALA A 43 2.951 26.954 7.789 1.00 0.00 O ATOM 645 CB ALA A 43 -0.321 27.407 6.993 1.00 0.00 C ATOM 0 H ALA A 43 1.071 28.895 5.608 1.00 0.00 H new ATOM 0 HA ALA A 43 0.535 28.866 8.302 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.820 26.860 7.793 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.016 28.122 6.554 1.00 0.00 H new ATOM 0 HB3 ALA A 43 0.011 26.706 6.227 1.00 0.00 H new ATOM 651 N THR A 44 1.374 26.594 9.353 1.00 0.00 N ATOM 652 CA THR A 44 2.183 25.644 10.107 1.00 0.00 C ATOM 653 C THR A 44 1.314 24.572 10.753 1.00 0.00 C ATOM 654 O THR A 44 1.097 24.581 11.965 1.00 0.00 O ATOM 655 CB THR A 44 3.005 26.351 11.202 1.00 0.00 C ATOM 656 OG1 THR A 44 2.146 27.159 12.014 1.00 0.00 O ATOM 657 CG2 THR A 44 4.093 27.218 10.587 1.00 0.00 C ATOM 0 H THR A 44 0.449 26.765 9.746 1.00 0.00 H new ATOM 0 HA THR A 44 2.864 25.176 9.396 1.00 0.00 H new ATOM 0 HB THR A 44 3.477 25.588 11.821 1.00 0.00 H new ATOM 0 HG1 THR A 44 1.413 26.609 12.363 1.00 0.00 H new ATOM 0 HG21 THR A 44 4.660 27.707 11.379 1.00 0.00 H new ATOM 0 HG22 THR A 44 4.762 26.595 9.993 1.00 0.00 H new ATOM 0 HG23 THR A 44 3.638 27.974 9.947 1.00 0.00 H new ATOM 665 N PHE A 45 0.818 23.648 9.936 1.00 0.00 N ATOM 666 CA PHE A 45 -0.029 22.568 10.429 1.00 0.00 C ATOM 667 C PHE A 45 -1.299 23.121 11.069 1.00 0.00 C ATOM 668 O PHE A 45 -2.366 23.122 10.457 1.00 0.00 O ATOM 669 CB PHE A 45 0.735 21.713 11.442 1.00 0.00 C ATOM 670 CG PHE A 45 -0.090 20.609 12.038 1.00 0.00 C ATOM 671 CD1 PHE A 45 -0.544 19.563 11.251 1.00 0.00 C ATOM 672 CD2 PHE A 45 -0.411 20.617 13.386 1.00 0.00 C ATOM 673 CE1 PHE A 45 -1.304 18.546 11.797 1.00 0.00 C ATOM 674 CE2 PHE A 45 -1.171 19.602 13.938 1.00 0.00 C ATOM 675 CZ PHE A 45 -1.617 18.565 13.143 1.00 0.00 C ATOM 0 H PHE A 45 0.988 23.626 8.931 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.312 21.946 9.580 1.00 0.00 H new ATOM 0 HB2 PHE A 45 1.609 21.280 10.954 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.102 22.354 12.243 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -0.301 19.542 10.199 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.064 21.425 14.013 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -1.653 17.737 11.172 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.415 19.620 14.990 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.209 17.770 13.572 1.00 0.00 H new ATOM 685 N GLY A 46 -1.175 23.591 12.306 1.00 0.00 N ATOM 686 CA GLY A 46 -2.319 24.140 13.010 1.00 0.00 C ATOM 687 C GLY A 46 -3.277 24.863 12.084 1.00 0.00 C ATOM 688 O GLY A 46 -4.493 24.713 12.198 1.00 0.00 O ATOM 0 H GLY A 46 -0.302 23.601 12.834 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.849 23.335 13.519 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.972 24.830 13.779 1.00 0.00 H new ATOM 692 N GLU A 47 -2.727 25.652 11.165 1.00 0.00 N ATOM 693 CA GLU A 47 -3.543 26.403 10.218 1.00 0.00 C ATOM 694 C GLU A 47 -4.097 25.487 9.131 1.00 0.00 C ATOM 695 O GLU A 47 -5.307 25.286 9.030 1.00 0.00 O ATOM 696 CB GLU A 47 -2.721 27.527 9.583 1.00 0.00 C ATOM 697 CG GLU A 47 -3.076 28.909 10.103 1.00 0.00 C ATOM 698 CD GLU A 47 -4.070 29.630 9.213 1.00 0.00 C ATOM 699 OE1 GLU A 47 -4.993 28.968 8.695 1.00 0.00 O ATOM 700 OE2 GLU A 47 -3.924 30.858 9.035 1.00 0.00 O ATOM 0 H GLU A 47 -1.722 25.787 11.057 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.380 26.838 10.764 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.663 27.340 9.766 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.866 27.506 8.503 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.491 28.820 11.107 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.168 29.506 10.185 1.00 0.00 H new ATOM 707 N VAL A 48 -3.202 24.933 8.319 1.00 0.00 N ATOM 708 CA VAL A 48 -3.600 24.037 7.239 1.00 0.00 C ATOM 709 C VAL A 48 -4.745 23.129 7.673 1.00 0.00 C ATOM 710 O VAL A 48 -5.676 22.877 6.907 1.00 0.00 O ATOM 711 CB VAL A 48 -2.420 23.167 6.768 1.00 0.00 C ATOM 712 CG1 VAL A 48 -2.922 21.969 5.977 1.00 0.00 C ATOM 713 CG2 VAL A 48 -1.447 23.993 5.940 1.00 0.00 C ATOM 0 H VAL A 48 -2.196 25.089 8.388 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.931 24.665 6.412 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.891 22.796 7.646 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -2.074 21.366 5.653 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.576 21.366 6.606 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -3.476 22.315 5.104 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.619 23.363 5.615 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.962 24.394 5.067 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -1.062 24.815 6.544 1.00 0.00 H new ATOM 723 N SER A 49 -4.671 22.640 8.906 1.00 0.00 N ATOM 724 CA SER A 49 -5.701 21.757 9.442 1.00 0.00 C ATOM 725 C SER A 49 -7.019 22.504 9.619 1.00 0.00 C ATOM 726 O SER A 49 -8.038 22.138 9.033 1.00 0.00 O ATOM 727 CB SER A 49 -5.251 21.167 10.780 1.00 0.00 C ATOM 728 OG SER A 49 -3.980 20.551 10.665 1.00 0.00 O ATOM 0 H SER A 49 -3.909 22.840 9.553 1.00 0.00 H new ATOM 0 HA SER A 49 -5.857 20.946 8.730 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.210 21.954 11.533 1.00 0.00 H new ATOM 0 HB3 SER A 49 -5.983 20.436 11.123 1.00 0.00 H new ATOM 0 HG SER A 49 -3.287 21.241 10.598 1.00 0.00 H new ATOM 734 N LYS A 50 -6.992 23.554 10.433 1.00 0.00 N ATOM 735 CA LYS A 50 -8.182 24.355 10.689 1.00 0.00 C ATOM 736 C LYS A 50 -9.034 24.482 9.430 1.00 0.00 C ATOM 737 O LYS A 50 -10.260 24.384 9.486 1.00 0.00 O ATOM 738 CB LYS A 50 -7.788 25.746 11.193 1.00 0.00 C ATOM 739 CG LYS A 50 -8.645 26.240 12.345 1.00 0.00 C ATOM 740 CD LYS A 50 -9.583 27.352 11.906 1.00 0.00 C ATOM 741 CE LYS A 50 -10.674 27.601 12.936 1.00 0.00 C ATOM 742 NZ LYS A 50 -10.783 29.043 13.291 1.00 0.00 N ATOM 0 H LYS A 50 -6.157 23.870 10.927 1.00 0.00 H new ATOM 0 HA LYS A 50 -8.770 23.851 11.456 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -6.745 25.727 11.509 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.858 26.455 10.368 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -9.226 25.411 12.749 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -8.003 26.601 13.149 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -9.014 28.268 11.749 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -10.037 27.090 10.950 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -11.629 27.250 12.545 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -10.464 27.021 13.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -11.537 29.171 13.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -9.880 29.372 13.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -11.008 29.594 12.438 1.00 0.00 H new ATOM 756 N ILE A 51 -8.376 24.700 8.296 1.00 0.00 N ATOM 757 CA ILE A 51 -9.074 24.837 7.023 1.00 0.00 C ATOM 758 C ILE A 51 -9.711 23.518 6.600 1.00 0.00 C ATOM 759 O ILE A 51 -10.881 23.474 6.220 1.00 0.00 O ATOM 760 CB ILE A 51 -8.124 25.316 5.909 1.00 0.00 C ATOM 761 CG1 ILE A 51 -7.492 26.656 6.289 1.00 0.00 C ATOM 762 CG2 ILE A 51 -8.871 25.431 4.589 1.00 0.00 C ATOM 763 CD1 ILE A 51 -6.035 26.770 5.900 1.00 0.00 C ATOM 0 H ILE A 51 -7.362 24.785 8.233 1.00 0.00 H new ATOM 0 HA ILE A 51 -9.854 25.584 7.170 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.328 24.581 5.790 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -8.051 27.460 5.811 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -7.584 26.800 7.366 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.186 25.771 3.812 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -9.277 24.457 4.315 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -9.686 26.148 4.693 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.654 27.746 6.200 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.463 25.988 6.399 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.937 26.659 4.820 1.00 0.00 H new ATOM 775 N VAL A 52 -8.933 22.442 6.671 1.00 0.00 N ATOM 776 CA VAL A 52 -9.421 21.120 6.298 1.00 0.00 C ATOM 777 C VAL A 52 -10.595 20.700 7.176 1.00 0.00 C ATOM 778 O VAL A 52 -11.665 20.355 6.676 1.00 0.00 O ATOM 779 CB VAL A 52 -8.309 20.060 6.405 1.00 0.00 C ATOM 780 CG1 VAL A 52 -8.877 18.665 6.189 1.00 0.00 C ATOM 781 CG2 VAL A 52 -7.198 20.351 5.408 1.00 0.00 C ATOM 0 H VAL A 52 -7.962 22.460 6.983 1.00 0.00 H new ATOM 0 HA VAL A 52 -9.751 21.185 5.261 1.00 0.00 H new ATOM 0 HB VAL A 52 -7.887 20.103 7.409 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -8.076 17.930 6.268 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -9.635 18.459 6.945 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -9.328 18.605 5.198 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.421 19.592 5.498 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -7.604 20.337 4.397 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -6.772 21.333 5.614 1.00 0.00 H new ATOM 791 N ALA A 53 -10.386 20.732 8.488 1.00 0.00 N ATOM 792 CA ALA A 53 -11.428 20.357 9.436 1.00 0.00 C ATOM 793 C ALA A 53 -12.777 20.940 9.029 1.00 0.00 C ATOM 794 O ALA A 53 -13.784 20.233 8.994 1.00 0.00 O ATOM 795 CB ALA A 53 -11.054 20.815 10.838 1.00 0.00 C ATOM 0 H ALA A 53 -9.505 21.014 8.918 1.00 0.00 H new ATOM 0 HA ALA A 53 -11.516 19.271 9.431 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -11.841 20.529 11.536 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -10.116 20.346 11.136 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -10.937 21.899 10.848 1.00 0.00 H new ATOM 801 N SER A 54 -12.789 22.233 8.722 1.00 0.00 N ATOM 802 CA SER A 54 -14.016 22.912 8.322 1.00 0.00 C ATOM 803 C SER A 54 -14.568 22.319 7.029 1.00 0.00 C ATOM 804 O SER A 54 -15.767 22.069 6.910 1.00 0.00 O ATOM 805 CB SER A 54 -13.760 24.409 8.141 1.00 0.00 C ATOM 806 OG SER A 54 -14.356 25.159 9.185 1.00 0.00 O ATOM 0 H SER A 54 -11.963 22.831 8.743 1.00 0.00 H new ATOM 0 HA SER A 54 -14.754 22.770 9.111 1.00 0.00 H new ATOM 0 HB2 SER A 54 -12.687 24.598 8.121 1.00 0.00 H new ATOM 0 HB3 SER A 54 -14.159 24.736 7.181 1.00 0.00 H new ATOM 0 HG SER A 54 -14.176 26.112 9.047 1.00 0.00 H new ATOM 812 N MET A 55 -13.683 22.096 6.063 1.00 0.00 N ATOM 813 CA MET A 55 -14.080 21.531 4.778 1.00 0.00 C ATOM 814 C MET A 55 -14.858 20.233 4.973 1.00 0.00 C ATOM 815 O MET A 55 -16.002 20.113 4.535 1.00 0.00 O ATOM 816 CB MET A 55 -12.849 21.276 3.906 1.00 0.00 C ATOM 817 CG MET A 55 -12.141 22.548 3.468 1.00 0.00 C ATOM 818 SD MET A 55 -12.368 22.899 1.714 1.00 0.00 S ATOM 819 CE MET A 55 -10.957 22.048 1.012 1.00 0.00 C ATOM 0 H MET A 55 -12.687 22.298 6.145 1.00 0.00 H new ATOM 0 HA MET A 55 -14.727 22.251 4.277 1.00 0.00 H new ATOM 0 HB2 MET A 55 -12.147 20.650 4.457 1.00 0.00 H new ATOM 0 HB3 MET A 55 -13.150 20.715 3.022 1.00 0.00 H new ATOM 0 HG2 MET A 55 -12.515 23.388 4.054 1.00 0.00 H new ATOM 0 HG3 MET A 55 -11.076 22.459 3.682 1.00 0.00 H new ATOM 0 HE1 MET A 55 -10.856 22.317 -0.039 1.00 0.00 H new ATOM 0 HE2 MET A 55 -10.054 22.337 1.549 1.00 0.00 H new ATOM 0 HE3 MET A 55 -11.101 20.971 1.099 1.00 0.00 H new ATOM 829 N TRP A 56 -14.229 19.265 5.629 1.00 0.00 N ATOM 830 CA TRP A 56 -14.863 17.976 5.881 1.00 0.00 C ATOM 831 C TRP A 56 -16.153 18.149 6.675 1.00 0.00 C ATOM 832 O TRP A 56 -17.150 17.477 6.411 1.00 0.00 O ATOM 833 CB TRP A 56 -13.905 17.051 6.634 1.00 0.00 C ATOM 834 CG TRP A 56 -14.557 15.795 7.128 1.00 0.00 C ATOM 835 CD1 TRP A 56 -15.301 15.650 8.264 1.00 0.00 C ATOM 836 CD2 TRP A 56 -14.522 14.508 6.502 1.00 0.00 C ATOM 837 NE1 TRP A 56 -15.730 14.350 8.382 1.00 0.00 N ATOM 838 CE2 TRP A 56 -15.266 13.630 7.313 1.00 0.00 C ATOM 839 CE3 TRP A 56 -13.936 14.013 5.334 1.00 0.00 C ATOM 840 CZ2 TRP A 56 -15.437 12.286 6.992 1.00 0.00 C ATOM 841 CZ3 TRP A 56 -14.106 12.679 5.017 1.00 0.00 C ATOM 842 CH2 TRP A 56 -14.852 11.828 5.843 1.00 0.00 C ATOM 0 H TRP A 56 -13.281 19.348 5.996 1.00 0.00 H new ATOM 0 HA TRP A 56 -15.109 17.526 4.919 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -13.075 16.787 5.978 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -13.482 17.590 7.482 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -15.520 16.441 8.966 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -16.301 13.981 9.142 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -13.360 14.662 4.690 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -16.011 11.628 7.628 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -13.656 12.286 4.117 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -14.968 10.790 5.567 1.00 0.00 H new ATOM 853 N ASP A 57 -16.126 19.052 7.649 1.00 0.00 N ATOM 854 CA ASP A 57 -17.295 19.314 8.481 1.00 0.00 C ATOM 855 C ASP A 57 -18.425 19.922 7.656 1.00 0.00 C ATOM 856 O ASP A 57 -19.531 20.123 8.153 1.00 0.00 O ATOM 857 CB ASP A 57 -16.927 20.251 9.633 1.00 0.00 C ATOM 858 CG ASP A 57 -17.093 19.594 10.989 1.00 0.00 C ATOM 859 OD1 ASP A 57 -18.076 18.844 11.169 1.00 0.00 O ATOM 860 OD2 ASP A 57 -16.240 19.829 11.870 1.00 0.00 O ATOM 0 H ASP A 57 -15.308 19.615 7.882 1.00 0.00 H new ATOM 0 HA ASP A 57 -17.639 18.364 8.890 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -15.894 20.579 9.515 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -17.552 21.143 9.586 1.00 0.00 H new ATOM 865 N GLY A 58 -18.137 20.212 6.390 1.00 0.00 N ATOM 866 CA GLY A 58 -19.138 20.795 5.517 1.00 0.00 C ATOM 867 C GLY A 58 -19.048 20.267 4.099 1.00 0.00 C ATOM 868 O GLY A 58 -19.405 20.962 3.146 1.00 0.00 O ATOM 0 H GLY A 58 -17.228 20.053 5.954 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -20.130 20.587 5.917 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -19.020 21.879 5.506 1.00 0.00 H new ATOM 872 N LEU A 59 -18.568 19.037 3.956 1.00 0.00 N ATOM 873 CA LEU A 59 -18.431 18.416 2.643 1.00 0.00 C ATOM 874 C LEU A 59 -19.776 18.352 1.927 1.00 0.00 C ATOM 875 O LEU A 59 -20.708 19.078 2.270 1.00 0.00 O ATOM 876 CB LEU A 59 -17.846 17.009 2.781 1.00 0.00 C ATOM 877 CG LEU A 59 -16.606 16.712 1.937 1.00 0.00 C ATOM 878 CD1 LEU A 59 -15.486 17.683 2.274 1.00 0.00 C ATOM 879 CD2 LEU A 59 -16.150 15.275 2.147 1.00 0.00 C ATOM 0 H LEU A 59 -18.267 18.449 4.733 1.00 0.00 H new ATOM 0 HA LEU A 59 -17.753 19.028 2.048 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -17.596 16.842 3.829 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -18.620 16.288 2.519 1.00 0.00 H new ATOM 0 HG LEU A 59 -16.866 16.840 0.886 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -14.612 17.456 1.664 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -15.815 18.702 2.072 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -15.227 17.588 3.328 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -15.267 15.081 1.539 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -15.908 15.120 3.198 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -16.949 14.593 1.854 1.00 0.00 H new ATOM 891 N GLY A 60 -19.870 17.477 0.931 1.00 0.00 N ATOM 892 CA GLY A 60 -21.105 17.333 0.184 1.00 0.00 C ATOM 893 C GLY A 60 -21.738 15.968 0.368 1.00 0.00 C ATOM 894 O GLY A 60 -22.458 15.488 -0.507 1.00 0.00 O ATOM 0 H GLY A 60 -19.112 16.865 0.628 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -21.809 18.102 0.501 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -20.907 17.498 -0.875 1.00 0.00 H new ATOM 898 N GLU A 61 -21.468 15.340 1.508 1.00 0.00 N ATOM 899 CA GLU A 61 -22.015 14.021 1.802 1.00 0.00 C ATOM 900 C GLU A 61 -21.387 12.959 0.903 1.00 0.00 C ATOM 901 O GLU A 61 -20.617 12.118 1.365 1.00 0.00 O ATOM 902 CB GLU A 61 -23.534 14.023 1.622 1.00 0.00 C ATOM 903 CG GLU A 61 -24.302 13.925 2.930 1.00 0.00 C ATOM 904 CD GLU A 61 -25.791 14.152 2.751 1.00 0.00 C ATOM 905 OE1 GLU A 61 -26.165 15.164 2.123 1.00 0.00 O ATOM 906 OE2 GLU A 61 -26.580 13.317 3.239 1.00 0.00 O ATOM 0 H GLU A 61 -20.874 15.724 2.243 1.00 0.00 H new ATOM 0 HA GLU A 61 -21.779 13.781 2.839 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -23.829 14.936 1.105 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -23.817 13.188 0.981 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -24.139 12.941 3.370 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -23.909 14.658 3.634 1.00 0.00 H new ATOM 913 N GLU A 62 -21.722 13.006 -0.382 1.00 0.00 N ATOM 914 CA GLU A 62 -21.193 12.048 -1.345 1.00 0.00 C ATOM 915 C GLU A 62 -19.669 11.991 -1.274 1.00 0.00 C ATOM 916 O GLU A 62 -19.050 11.050 -1.769 1.00 0.00 O ATOM 917 CB GLU A 62 -21.635 12.418 -2.763 1.00 0.00 C ATOM 918 CG GLU A 62 -21.428 11.304 -3.775 1.00 0.00 C ATOM 919 CD GLU A 62 -22.506 11.277 -4.841 1.00 0.00 C ATOM 920 OE1 GLU A 62 -23.588 10.712 -4.576 1.00 0.00 O ATOM 921 OE2 GLU A 62 -22.268 11.819 -5.940 1.00 0.00 O ATOM 0 H GLU A 62 -22.357 13.697 -0.780 1.00 0.00 H new ATOM 0 HA GLU A 62 -21.589 11.064 -1.095 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -22.690 12.691 -2.746 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -21.083 13.300 -3.088 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -20.455 11.426 -4.251 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -21.411 10.345 -3.256 1.00 0.00 H new ATOM 928 N GLN A 63 -19.073 13.006 -0.657 1.00 0.00 N ATOM 929 CA GLN A 63 -17.623 13.073 -0.523 1.00 0.00 C ATOM 930 C GLN A 63 -17.168 12.435 0.786 1.00 0.00 C ATOM 931 O GLN A 63 -16.029 11.981 0.905 1.00 0.00 O ATOM 932 CB GLN A 63 -17.150 14.526 -0.587 1.00 0.00 C ATOM 933 CG GLN A 63 -17.221 15.128 -1.981 1.00 0.00 C ATOM 934 CD GLN A 63 -16.771 16.575 -2.016 1.00 0.00 C ATOM 935 OE1 GLN A 63 -17.592 17.492 -2.040 1.00 0.00 O ATOM 936 NE2 GLN A 63 -15.460 16.787 -2.019 1.00 0.00 N ATOM 0 H GLN A 63 -19.572 13.793 -0.242 1.00 0.00 H new ATOM 0 HA GLN A 63 -17.181 12.518 -1.350 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -17.756 15.127 0.091 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -16.122 14.581 -0.228 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -16.599 14.542 -2.658 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -18.245 15.061 -2.350 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -14.816 15.997 -1.998 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -15.098 17.740 -2.042 1.00 0.00 H new ATOM 945 N LYS A 64 -18.064 12.403 1.766 1.00 0.00 N ATOM 946 CA LYS A 64 -17.755 11.821 3.067 1.00 0.00 C ATOM 947 C LYS A 64 -17.813 10.298 3.008 1.00 0.00 C ATOM 948 O LYS A 64 -16.913 9.615 3.497 1.00 0.00 O ATOM 949 CB LYS A 64 -18.733 12.338 4.125 1.00 0.00 C ATOM 950 CG LYS A 64 -18.304 13.650 4.759 1.00 0.00 C ATOM 951 CD LYS A 64 -19.086 13.936 6.030 1.00 0.00 C ATOM 952 CE LYS A 64 -18.612 15.218 6.699 1.00 0.00 C ATOM 953 NZ LYS A 64 -19.335 15.478 7.974 1.00 0.00 N ATOM 0 H LYS A 64 -19.011 12.773 1.684 1.00 0.00 H new ATOM 0 HA LYS A 64 -16.743 12.119 3.340 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -19.714 12.468 3.668 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -18.842 11.585 4.906 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -17.239 13.614 4.986 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -18.451 14.464 4.049 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -20.147 14.018 5.795 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -18.976 13.101 6.722 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -17.542 15.151 6.895 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -18.759 16.058 6.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -18.984 16.360 8.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -20.353 15.567 7.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -19.174 14.689 8.632 1.00 0.00 H new ATOM 967 N GLN A 65 -18.875 9.773 2.405 1.00 0.00 N ATOM 968 CA GLN A 65 -19.048 8.330 2.282 1.00 0.00 C ATOM 969 C GLN A 65 -17.906 7.711 1.483 1.00 0.00 C ATOM 970 O GLN A 65 -17.252 6.773 1.938 1.00 0.00 O ATOM 971 CB GLN A 65 -20.386 8.011 1.613 1.00 0.00 C ATOM 972 CG GLN A 65 -20.424 8.355 0.133 1.00 0.00 C ATOM 973 CD GLN A 65 -21.809 8.207 -0.465 1.00 0.00 C ATOM 974 OE1 GLN A 65 -22.175 8.925 -1.396 1.00 0.00 O ATOM 975 NE2 GLN A 65 -22.587 7.273 0.067 1.00 0.00 N ATOM 0 H GLN A 65 -19.628 10.325 1.994 1.00 0.00 H new ATOM 0 HA GLN A 65 -19.040 7.902 3.284 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -20.600 6.949 1.736 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -21.178 8.558 2.125 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -20.080 9.380 -0.007 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -19.730 7.709 -0.404 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -22.243 6.701 0.838 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -23.529 7.127 -0.295 1.00 0.00 H new ATOM 984 N VAL A 66 -17.670 8.243 0.287 1.00 0.00 N ATOM 985 CA VAL A 66 -16.607 7.744 -0.576 1.00 0.00 C ATOM 986 C VAL A 66 -15.333 7.480 0.219 1.00 0.00 C ATOM 987 O VAL A 66 -14.739 6.405 0.122 1.00 0.00 O ATOM 988 CB VAL A 66 -16.294 8.735 -1.712 1.00 0.00 C ATOM 989 CG1 VAL A 66 -15.972 10.111 -1.147 1.00 0.00 C ATOM 990 CG2 VAL A 66 -15.147 8.219 -2.568 1.00 0.00 C ATOM 0 H VAL A 66 -18.202 9.020 -0.106 1.00 0.00 H new ATOM 0 HA VAL A 66 -16.963 6.809 -1.008 1.00 0.00 H new ATOM 0 HB VAL A 66 -17.177 8.826 -2.345 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -15.753 10.798 -1.965 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -16.827 10.481 -0.581 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -15.105 10.041 -0.490 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -14.939 8.932 -3.366 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -14.258 8.097 -1.950 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -15.421 7.258 -3.003 1.00 0.00 H new ATOM 1000 N TYR A 67 -14.918 8.466 1.006 1.00 0.00 N ATOM 1001 CA TYR A 67 -13.712 8.342 1.817 1.00 0.00 C ATOM 1002 C TYR A 67 -13.835 7.183 2.801 1.00 0.00 C ATOM 1003 O TYR A 67 -12.845 6.539 3.147 1.00 0.00 O ATOM 1004 CB TYR A 67 -13.446 9.644 2.575 1.00 0.00 C ATOM 1005 CG TYR A 67 -12.821 10.724 1.722 1.00 0.00 C ATOM 1006 CD1 TYR A 67 -11.668 10.476 0.986 1.00 0.00 C ATOM 1007 CD2 TYR A 67 -13.381 11.993 1.652 1.00 0.00 C ATOM 1008 CE1 TYR A 67 -11.093 11.460 0.206 1.00 0.00 C ATOM 1009 CE2 TYR A 67 -12.813 12.983 0.873 1.00 0.00 C ATOM 1010 CZ TYR A 67 -11.669 12.712 0.153 1.00 0.00 C ATOM 1011 OH TYR A 67 -11.100 13.696 -0.623 1.00 0.00 O ATOM 0 H TYR A 67 -15.399 9.361 1.100 1.00 0.00 H new ATOM 0 HA TYR A 67 -12.874 8.141 1.149 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -14.386 10.015 2.985 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -12.790 9.435 3.420 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -11.214 9.497 1.025 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -14.276 12.210 2.216 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -10.197 11.250 -0.359 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -13.263 13.964 0.828 1.00 0.00 H new ATOM 0 HH TYR A 67 -11.798 14.304 -0.944 1.00 0.00 H new ATOM 1021 N LYS A 68 -15.059 6.922 3.248 1.00 0.00 N ATOM 1022 CA LYS A 68 -15.315 5.840 4.191 1.00 0.00 C ATOM 1023 C LYS A 68 -15.244 4.484 3.496 1.00 0.00 C ATOM 1024 O LYS A 68 -14.716 3.518 4.048 1.00 0.00 O ATOM 1025 CB LYS A 68 -16.688 6.019 4.843 1.00 0.00 C ATOM 1026 CG LYS A 68 -16.861 7.359 5.538 1.00 0.00 C ATOM 1027 CD LYS A 68 -16.974 7.195 7.045 1.00 0.00 C ATOM 1028 CE LYS A 68 -17.009 8.542 7.750 1.00 0.00 C ATOM 1029 NZ LYS A 68 -16.922 8.395 9.230 1.00 0.00 N ATOM 0 H LYS A 68 -15.890 7.446 2.972 1.00 0.00 H new ATOM 0 HA LYS A 68 -14.545 5.874 4.962 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -17.460 5.912 4.081 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -16.844 5.220 5.568 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -16.014 8.004 5.304 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -17.754 7.855 5.157 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -17.877 6.634 7.284 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -16.130 6.612 7.413 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -16.182 9.158 7.397 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -17.930 9.064 7.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -16.949 9.335 9.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -17.725 7.828 9.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -16.032 7.919 9.480 1.00 0.00 H new ATOM 1043 N LYS A 69 -15.777 4.419 2.280 1.00 0.00 N ATOM 1044 CA LYS A 69 -15.772 3.183 1.507 1.00 0.00 C ATOM 1045 C LYS A 69 -14.347 2.759 1.168 1.00 0.00 C ATOM 1046 O LYS A 69 -14.028 1.570 1.154 1.00 0.00 O ATOM 1047 CB LYS A 69 -16.584 3.357 0.222 1.00 0.00 C ATOM 1048 CG LYS A 69 -17.923 4.040 0.436 1.00 0.00 C ATOM 1049 CD LYS A 69 -18.666 3.451 1.623 1.00 0.00 C ATOM 1050 CE LYS A 69 -19.274 2.098 1.284 1.00 0.00 C ATOM 1051 NZ LYS A 69 -18.560 0.983 1.966 1.00 0.00 N ATOM 0 H LYS A 69 -16.218 5.209 1.809 1.00 0.00 H new ATOM 0 HA LYS A 69 -16.229 2.402 2.115 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -15.999 3.938 -0.491 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -16.753 2.378 -0.227 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -17.767 5.107 0.596 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -18.532 3.938 -0.462 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -17.982 3.343 2.465 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -19.453 4.136 1.938 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -20.324 2.089 1.575 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -19.241 1.945 0.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -19.117 0.109 1.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -17.628 0.846 1.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -18.436 1.214 2.972 1.00 0.00 H new ATOM 1065 N LYS A 70 -13.492 3.739 0.895 1.00 0.00 N ATOM 1066 CA LYS A 70 -12.100 3.470 0.558 1.00 0.00 C ATOM 1067 C LYS A 70 -11.324 3.001 1.785 1.00 0.00 C ATOM 1068 O LYS A 70 -10.441 2.148 1.687 1.00 0.00 O ATOM 1069 CB LYS A 70 -11.443 4.722 -0.026 1.00 0.00 C ATOM 1070 CG LYS A 70 -12.030 5.151 -1.360 1.00 0.00 C ATOM 1071 CD LYS A 70 -11.008 5.889 -2.208 1.00 0.00 C ATOM 1072 CE LYS A 70 -11.678 6.853 -3.175 1.00 0.00 C ATOM 1073 NZ LYS A 70 -11.122 6.734 -4.551 1.00 0.00 N ATOM 0 H LYS A 70 -13.740 4.728 0.901 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.080 2.676 -0.188 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -11.544 5.541 0.686 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.376 4.538 -0.150 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.387 4.274 -1.900 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -12.894 5.793 -1.189 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -10.325 6.438 -1.560 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -10.409 5.169 -2.766 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -12.750 6.657 -3.198 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -11.548 7.875 -2.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -11.605 7.407 -5.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -10.104 6.945 -4.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -11.269 5.766 -4.902 1.00 0.00 H new ATOM 1087 N THR A 71 -11.659 3.564 2.942 1.00 0.00 N ATOM 1088 CA THR A 71 -10.994 3.204 4.188 1.00 0.00 C ATOM 1089 C THR A 71 -11.091 1.706 4.450 1.00 0.00 C ATOM 1090 O THR A 71 -10.080 1.037 4.659 1.00 0.00 O ATOM 1091 CB THR A 71 -11.596 3.963 5.386 1.00 0.00 C ATOM 1092 OG1 THR A 71 -11.848 5.326 5.026 1.00 0.00 O ATOM 1093 CG2 THR A 71 -10.660 3.914 6.583 1.00 0.00 C ATOM 0 H THR A 71 -12.387 4.271 3.042 1.00 0.00 H new ATOM 0 HA THR A 71 -9.946 3.484 4.079 1.00 0.00 H new ATOM 0 HB THR A 71 -12.535 3.481 5.659 1.00 0.00 H new ATOM 0 HG1 THR A 71 -12.627 5.369 4.433 1.00 0.00 H new ATOM 0 HG21 THR A 71 -11.106 4.457 7.416 1.00 0.00 H new ATOM 0 HG22 THR A 71 -10.494 2.876 6.873 1.00 0.00 H new ATOM 0 HG23 THR A 71 -9.708 4.374 6.319 1.00 0.00 H new ATOM 1101 N GLU A 72 -12.314 1.185 4.436 1.00 0.00 N ATOM 1102 CA GLU A 72 -12.542 -0.236 4.673 1.00 0.00 C ATOM 1103 C GLU A 72 -11.943 -1.077 3.549 1.00 0.00 C ATOM 1104 O GLU A 72 -11.425 -2.168 3.785 1.00 0.00 O ATOM 1105 CB GLU A 72 -14.040 -0.522 4.796 1.00 0.00 C ATOM 1106 CG GLU A 72 -14.768 -0.538 3.462 1.00 0.00 C ATOM 1107 CD GLU A 72 -14.867 -1.931 2.869 1.00 0.00 C ATOM 1108 OE1 GLU A 72 -13.809 -2.554 2.641 1.00 0.00 O ATOM 1109 OE2 GLU A 72 -16.001 -2.396 2.634 1.00 0.00 O ATOM 0 H GLU A 72 -13.162 1.725 4.263 1.00 0.00 H new ATOM 0 HA GLU A 72 -12.051 -0.506 5.608 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -14.178 -1.485 5.287 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -14.494 0.232 5.439 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -15.771 -0.131 3.594 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -14.249 0.115 2.761 1.00 0.00 H new ATOM 1116 N ALA A 73 -12.019 -0.561 2.326 1.00 0.00 N ATOM 1117 CA ALA A 73 -11.484 -1.263 1.166 1.00 0.00 C ATOM 1118 C ALA A 73 -9.959 -1.239 1.166 1.00 0.00 C ATOM 1119 O ALA A 73 -9.315 -2.142 0.632 1.00 0.00 O ATOM 1120 CB ALA A 73 -12.024 -0.649 -0.117 1.00 0.00 C ATOM 0 H ALA A 73 -12.446 0.341 2.113 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.805 -2.303 1.221 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -11.616 -1.183 -0.975 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.111 -0.723 -0.126 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -11.732 0.400 -0.170 1.00 0.00 H new ATOM 1126 N ALA A 74 -9.388 -0.200 1.766 1.00 0.00 N ATOM 1127 CA ALA A 74 -7.939 -0.060 1.835 1.00 0.00 C ATOM 1128 C ALA A 74 -7.392 -0.645 3.133 1.00 0.00 C ATOM 1129 O ALA A 74 -6.223 -1.023 3.213 1.00 0.00 O ATOM 1130 CB ALA A 74 -7.543 1.403 1.706 1.00 0.00 C ATOM 0 H ALA A 74 -9.907 0.557 2.211 1.00 0.00 H new ATOM 0 HA ALA A 74 -7.505 -0.617 1.004 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -6.458 1.492 1.759 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -7.893 1.792 0.749 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -7.994 1.975 2.517 1.00 0.00 H new ATOM 1136 N LYS A 75 -8.245 -0.717 4.150 1.00 0.00 N ATOM 1137 CA LYS A 75 -7.849 -1.257 5.445 1.00 0.00 C ATOM 1138 C LYS A 75 -7.796 -2.781 5.407 1.00 0.00 C ATOM 1139 O LYS A 75 -6.752 -3.383 5.654 1.00 0.00 O ATOM 1140 CB LYS A 75 -8.823 -0.796 6.532 1.00 0.00 C ATOM 1141 CG LYS A 75 -8.823 -1.685 7.764 1.00 0.00 C ATOM 1142 CD LYS A 75 -8.677 -0.870 9.038 1.00 0.00 C ATOM 1143 CE LYS A 75 -9.842 0.089 9.224 1.00 0.00 C ATOM 1144 NZ LYS A 75 -9.381 1.491 9.423 1.00 0.00 N ATOM 0 H LYS A 75 -9.216 -0.408 4.102 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.852 -0.883 5.677 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.569 0.222 6.828 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.830 -0.765 6.116 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.750 -2.257 7.801 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -8.007 -2.404 7.695 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.616 -1.541 9.895 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -7.744 -0.308 9.006 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -10.494 0.042 8.352 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -10.436 -0.223 10.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -10.205 2.113 9.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -8.779 1.542 10.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -8.836 1.798 8.592 1.00 0.00 H new ATOM 1158 N LYS A 76 -8.930 -3.399 5.093 1.00 0.00 N ATOM 1159 CA LYS A 76 -9.014 -4.853 5.020 1.00 0.00 C ATOM 1160 C LYS A 76 -7.909 -5.417 4.132 1.00 0.00 C ATOM 1161 O LYS A 76 -7.336 -6.465 4.430 1.00 0.00 O ATOM 1162 CB LYS A 76 -10.382 -5.279 4.482 1.00 0.00 C ATOM 1163 CG LYS A 76 -11.101 -6.277 5.373 1.00 0.00 C ATOM 1164 CD LYS A 76 -12.527 -5.838 5.664 1.00 0.00 C ATOM 1165 CE LYS A 76 -12.937 -6.185 7.087 1.00 0.00 C ATOM 1166 NZ LYS A 76 -14.266 -6.856 7.132 1.00 0.00 N ATOM 0 H LYS A 76 -9.804 -2.915 4.885 1.00 0.00 H new ATOM 0 HA LYS A 76 -8.886 -5.251 6.027 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -11.008 -4.395 4.362 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -10.254 -5.715 3.491 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -11.111 -7.255 4.891 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -10.555 -6.389 6.310 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -12.616 -4.763 5.510 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -13.207 -6.318 4.961 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -12.186 -6.837 7.533 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -12.968 -5.276 7.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -14.510 -7.077 8.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -14.988 -6.224 6.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -14.229 -7.736 6.579 1.00 0.00 H new ATOM 1180 N GLU A 77 -7.615 -4.715 3.042 1.00 0.00 N ATOM 1181 CA GLU A 77 -6.578 -5.147 2.113 1.00 0.00 C ATOM 1182 C GLU A 77 -5.191 -4.978 2.727 1.00 0.00 C ATOM 1183 O GLU A 77 -4.370 -5.895 2.696 1.00 0.00 O ATOM 1184 CB GLU A 77 -6.669 -4.355 0.807 1.00 0.00 C ATOM 1185 CG GLU A 77 -5.771 -3.129 0.775 1.00 0.00 C ATOM 1186 CD GLU A 77 -5.781 -2.434 -0.573 1.00 0.00 C ATOM 1187 OE1 GLU A 77 -6.056 -3.110 -1.586 1.00 0.00 O ATOM 1188 OE2 GLU A 77 -5.513 -1.215 -0.614 1.00 0.00 O ATOM 0 H GLU A 77 -8.080 -3.845 2.781 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.736 -6.204 1.900 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.406 -5.009 -0.024 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -7.702 -4.043 0.652 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -6.093 -2.427 1.544 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -4.751 -3.424 1.020 1.00 0.00 H new ATOM 1195 N TYR A 78 -4.938 -3.799 3.285 1.00 0.00 N ATOM 1196 CA TYR A 78 -3.651 -3.507 3.905 1.00 0.00 C ATOM 1197 C TYR A 78 -3.189 -4.672 4.775 1.00 0.00 C ATOM 1198 O TYR A 78 -2.046 -5.122 4.676 1.00 0.00 O ATOM 1199 CB TYR A 78 -3.743 -2.233 4.745 1.00 0.00 C ATOM 1200 CG TYR A 78 -2.529 -1.991 5.614 1.00 0.00 C ATOM 1201 CD1 TYR A 78 -1.266 -1.846 5.052 1.00 0.00 C ATOM 1202 CD2 TYR A 78 -2.645 -1.907 6.996 1.00 0.00 C ATOM 1203 CE1 TYR A 78 -0.155 -1.626 5.842 1.00 0.00 C ATOM 1204 CE2 TYR A 78 -1.539 -1.686 7.793 1.00 0.00 C ATOM 1205 CZ TYR A 78 -0.296 -1.546 7.212 1.00 0.00 C ATOM 1206 OH TYR A 78 0.809 -1.326 8.002 1.00 0.00 O ATOM 0 H TYR A 78 -5.607 -3.030 3.321 1.00 0.00 H new ATOM 0 HA TYR A 78 -2.919 -3.358 3.111 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -3.880 -1.379 4.081 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -4.628 -2.289 5.379 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -1.152 -1.906 3.980 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -3.617 -2.016 7.455 1.00 0.00 H new ATOM 0 HE1 TYR A 78 0.820 -1.517 5.390 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -1.647 -1.623 8.866 1.00 0.00 H new ATOM 0 HH TYR A 78 0.537 -1.296 8.943 1.00 0.00 H new ATOM 1216 N LEU A 79 -4.084 -5.155 5.629 1.00 0.00 N ATOM 1217 CA LEU A 79 -3.771 -6.268 6.518 1.00 0.00 C ATOM 1218 C LEU A 79 -3.352 -7.500 5.722 1.00 0.00 C ATOM 1219 O LEU A 79 -2.399 -8.191 6.082 1.00 0.00 O ATOM 1220 CB LEU A 79 -4.978 -6.601 7.396 1.00 0.00 C ATOM 1221 CG LEU A 79 -5.159 -5.736 8.644 1.00 0.00 C ATOM 1222 CD1 LEU A 79 -5.623 -4.339 8.263 1.00 0.00 C ATOM 1223 CD2 LEU A 79 -6.146 -6.384 9.604 1.00 0.00 C ATOM 0 H LEU A 79 -5.033 -4.793 5.725 1.00 0.00 H new ATOM 0 HA LEU A 79 -2.938 -5.969 7.154 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.879 -6.519 6.787 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.899 -7.642 7.708 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.195 -5.652 9.147 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -5.746 -3.738 9.164 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.881 -3.873 7.615 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -6.575 -4.403 7.736 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -6.262 -5.754 10.486 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -7.111 -6.499 9.111 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -5.773 -7.363 9.904 1.00 0.00 H new