USER MOD reduce.3.24.130724 H: found=0, std=0, add=553, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 547 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 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HD1:sc= -0.0392 X(o=-0.039,f=0) USER MOD Single : A 23 HIS : no HD1:sc= -3.36! C(o=-3.4!,f=-3.3!) USER MOD Single : A 26 ASN : amide:sc= -4.63! C(o=-4.6!,f=-10!) USER MOD Single : A 29 GLN : amide:sc= -0.386 K(o=-0.39,f=-2.5!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc=-0.00415 X(o=-0.0041,f=0) USER MOD Single : A 45 GLN : amide:sc= -0.255 K(o=-0.26,f=-2.2!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 170:sc= -3.81! USER MOD Single : A 61 ASN : amide:sc= -0.387 K(o=-0.39,f=-3.2!) USER MOD Single : A 65 TYR OH : rot 60:sc= -3.43! USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot -22:sc= -0.627 USER MOD Single : A 85 ASN : amide:sc= -1.94 K(o=-1.9,f=-2.6!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -0.516 K(o=-0.52,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 312 N THR A 21 12.104 36.936 36.358 1.00 0.00 N ATOM 313 CA THR A 21 12.336 38.360 36.536 1.00 0.00 C ATOM 314 C THR A 21 12.598 39.031 35.186 1.00 0.00 C ATOM 315 O THR A 21 11.847 39.912 34.770 1.00 0.00 O ATOM 316 CB THR A 21 13.484 38.531 37.533 1.00 0.00 C ATOM 317 OG1 THR A 21 12.832 38.795 38.772 1.00 0.00 O ATOM 318 CG2 THR A 21 14.306 39.794 37.268 1.00 0.00 C ATOM 0 HA THR A 21 11.455 38.856 36.944 1.00 0.00 H new ATOM 0 HB THR A 21 14.135 37.658 37.489 1.00 0.00 H new ATOM 0 HG1 THR A 21 13.503 38.917 39.475 1.00 0.00 H new ATOM 0 HG21 THR A 21 15.107 39.868 38.003 1.00 0.00 H new ATOM 0 HG22 THR A 21 14.735 39.745 36.267 1.00 0.00 H new ATOM 0 HG23 THR A 21 13.662 40.670 37.344 1.00 0.00 H new ATOM 326 N HIS A 22 13.667 38.589 34.540 1.00 0.00 N ATOM 327 CA HIS A 22 14.037 39.135 33.245 1.00 0.00 C ATOM 328 C HIS A 22 12.784 39.318 32.387 1.00 0.00 C ATOM 329 O HIS A 22 12.653 40.314 31.679 1.00 0.00 O ATOM 330 CB HIS A 22 15.096 38.261 32.569 1.00 0.00 C ATOM 331 CG HIS A 22 15.678 38.863 31.313 1.00 0.00 C ATOM 332 ND1 HIS A 22 16.409 38.124 30.398 1.00 0.00 N ATOM 333 CD2 HIS A 22 15.628 40.136 30.828 1.00 0.00 C ATOM 334 CE1 HIS A 22 16.778 38.929 29.412 1.00 0.00 C ATOM 335 NE2 HIS A 22 16.293 40.176 29.681 1.00 0.00 N ATOM 0 H HIS A 22 14.289 37.859 34.889 1.00 0.00 H new ATOM 0 HA HIS A 22 14.490 40.117 33.377 1.00 0.00 H new ATOM 0 HB2 HIS A 22 15.903 38.073 33.277 1.00 0.00 H new ATOM 0 HB3 HIS A 22 14.654 37.295 32.326 1.00 0.00 H new ATOM 0 HD2 HIS A 22 15.131 40.971 31.298 1.00 0.00 H new ATOM 0 HE1 HIS A 22 17.360 38.648 28.547 1.00 0.00 H new ATOM 0 HE2 HIS A 22 16.421 41.002 29.097 1.00 0.00 H new ATOM 343 N HIS A 23 11.894 38.341 32.481 1.00 0.00 N ATOM 344 CA HIS A 23 10.655 38.382 31.723 1.00 0.00 C ATOM 345 C HIS A 23 9.822 39.586 32.166 1.00 0.00 C ATOM 346 O HIS A 23 9.300 40.325 31.332 1.00 0.00 O ATOM 347 CB HIS A 23 9.898 37.059 31.847 1.00 0.00 C ATOM 348 CG HIS A 23 10.601 35.887 31.205 1.00 0.00 C ATOM 349 ND1 HIS A 23 10.502 34.595 31.691 1.00 0.00 N ATOM 350 CD2 HIS A 23 11.413 35.825 30.111 1.00 0.00 C ATOM 351 CE1 HIS A 23 11.226 33.800 30.918 1.00 0.00 C ATOM 352 NE2 HIS A 23 11.791 34.564 29.939 1.00 0.00 N ATOM 0 H HIS A 23 12.006 37.516 33.071 1.00 0.00 H new ATOM 0 HA HIS A 23 10.877 38.508 30.663 1.00 0.00 H new ATOM 0 HB2 HIS A 23 9.740 36.840 32.903 1.00 0.00 H new ATOM 0 HB3 HIS A 23 8.913 37.172 31.394 1.00 0.00 H new ATOM 0 HD2 HIS A 23 11.700 36.660 29.490 1.00 0.00 H new ATOM 0 HE1 HIS A 23 11.348 32.734 31.041 1.00 0.00 H new ATOM 0 HE2 HIS A 23 12.403 34.223 29.198 1.00 0.00 H new ATOM 360 N TRP A 24 9.721 39.745 33.478 1.00 0.00 N ATOM 361 CA TRP A 24 8.961 40.847 34.042 1.00 0.00 C ATOM 362 C TRP A 24 9.718 42.144 33.751 1.00 0.00 C ATOM 363 O TRP A 24 9.116 43.147 33.371 1.00 0.00 O ATOM 364 CB TRP A 24 8.702 40.628 35.533 1.00 0.00 C ATOM 365 CG TRP A 24 8.133 41.852 36.254 1.00 0.00 C ATOM 366 CD1 TRP A 24 8.677 42.539 37.268 1.00 0.00 C ATOM 367 CD2 TRP A 24 6.881 42.512 35.970 1.00 0.00 C ATOM 368 NE1 TRP A 24 7.870 43.588 37.658 1.00 0.00 N ATOM 369 CE2 TRP A 24 6.743 43.571 36.844 1.00 0.00 C ATOM 370 CE3 TRP A 24 5.898 42.222 35.008 1.00 0.00 C ATOM 371 CZ2 TRP A 24 5.635 44.426 36.842 1.00 0.00 C ATOM 372 CZ3 TRP A 24 4.797 43.087 35.020 1.00 0.00 C ATOM 373 CH2 TRP A 24 4.643 44.157 35.892 1.00 0.00 C ATOM 0 H TRP A 24 10.153 39.129 34.166 1.00 0.00 H new ATOM 0 HA TRP A 24 7.975 40.910 33.581 1.00 0.00 H new ATOM 0 HB2 TRP A 24 8.009 39.795 35.652 1.00 0.00 H new ATOM 0 HB3 TRP A 24 9.636 40.338 36.014 1.00 0.00 H new ATOM 0 HD1 TRP A 24 9.627 42.301 37.723 1.00 0.00 H new ATOM 0 HE1 TRP A 24 8.064 44.254 38.406 1.00 0.00 H new ATOM 0 HE3 TRP A 24 5.985 41.398 34.315 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 5.550 45.249 37.536 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 4.012 42.910 34.300 1.00 0.00 H new ATOM 0 HH2 TRP A 24 3.762 44.779 35.837 1.00 0.00 H new ATOM 384 N LEU A 25 11.027 42.081 33.940 1.00 0.00 N ATOM 385 CA LEU A 25 11.874 43.238 33.702 1.00 0.00 C ATOM 386 C LEU A 25 11.595 43.790 32.303 1.00 0.00 C ATOM 387 O LEU A 25 11.665 44.998 32.083 1.00 0.00 O ATOM 388 CB LEU A 25 13.343 42.886 33.943 1.00 0.00 C ATOM 389 CG LEU A 25 14.269 44.058 34.272 1.00 0.00 C ATOM 390 CD1 LEU A 25 13.602 45.027 35.251 1.00 0.00 C ATOM 391 CD2 LEU A 25 15.621 43.561 34.790 1.00 0.00 C ATOM 0 H LEU A 25 11.523 41.247 34.255 1.00 0.00 H new ATOM 0 HA LEU A 25 11.641 44.033 34.411 1.00 0.00 H new ATOM 0 HB2 LEU A 25 13.394 42.168 34.761 1.00 0.00 H new ATOM 0 HB3 LEU A 25 13.726 42.385 33.054 1.00 0.00 H new ATOM 0 HG LEU A 25 14.460 44.610 33.352 1.00 0.00 H new ATOM 0 HD11 LEU A 25 14.282 45.851 35.468 1.00 0.00 H new ATOM 0 HD12 LEU A 25 12.687 45.419 34.808 1.00 0.00 H new ATOM 0 HD13 LEU A 25 13.362 44.502 36.176 1.00 0.00 H new ATOM 0 HD21 LEU A 25 16.260 44.415 35.016 1.00 0.00 H new ATOM 0 HD22 LEU A 25 15.470 42.971 35.694 1.00 0.00 H new ATOM 0 HD23 LEU A 25 16.097 42.943 34.029 1.00 0.00 H new ATOM 403 N ASN A 26 11.285 42.878 31.393 1.00 0.00 N ATOM 404 CA ASN A 26 10.996 43.258 30.020 1.00 0.00 C ATOM 405 C ASN A 26 9.736 44.124 29.991 1.00 0.00 C ATOM 406 O ASN A 26 9.559 44.939 29.086 1.00 0.00 O ATOM 407 CB ASN A 26 10.744 42.027 29.149 1.00 0.00 C ATOM 408 CG ASN A 26 10.415 42.430 27.711 1.00 0.00 C ATOM 409 OD1 ASN A 26 10.780 43.495 27.239 1.00 0.00 O ATOM 410 ND2 ASN A 26 9.710 41.523 27.042 1.00 0.00 N ATOM 0 H ASN A 26 11.228 41.877 31.579 1.00 0.00 H new ATOM 0 HA ASN A 26 11.857 43.803 29.632 1.00 0.00 H new ATOM 0 HB2 ASN A 26 11.625 41.385 29.158 1.00 0.00 H new ATOM 0 HB3 ASN A 26 9.921 41.445 29.565 1.00 0.00 H new ATOM 0 HD21 ASN A 26 9.442 41.698 26.073 1.00 0.00 H new ATOM 0 HD22 ASN A 26 9.437 40.652 27.497 1.00 0.00 H new ATOM 417 N PHE A 27 8.892 43.919 30.991 1.00 0.00 N ATOM 418 CA PHE A 27 7.652 44.671 31.091 1.00 0.00 C ATOM 419 C PHE A 27 7.844 45.935 31.933 1.00 0.00 C ATOM 420 O PHE A 27 7.209 46.957 31.679 1.00 0.00 O ATOM 421 CB PHE A 27 6.632 43.764 31.782 1.00 0.00 C ATOM 422 CG PHE A 27 5.181 44.046 31.388 1.00 0.00 C ATOM 423 CD1 PHE A 27 4.869 45.185 30.711 1.00 0.00 C ATOM 424 CD2 PHE A 27 4.203 43.160 31.715 1.00 0.00 C ATOM 425 CE1 PHE A 27 3.522 45.446 30.346 1.00 0.00 C ATOM 426 CE2 PHE A 27 2.856 43.422 31.348 1.00 0.00 C ATOM 427 CZ PHE A 27 2.544 44.560 30.673 1.00 0.00 C ATOM 0 H PHE A 27 9.042 43.243 31.740 1.00 0.00 H new ATOM 0 HA PHE A 27 7.320 44.974 30.098 1.00 0.00 H new ATOM 0 HB2 PHE A 27 6.866 42.726 31.547 1.00 0.00 H new ATOM 0 HB3 PHE A 27 6.733 43.877 32.861 1.00 0.00 H new ATOM 0 HD1 PHE A 27 5.645 45.890 30.452 1.00 0.00 H new ATOM 0 HD2 PHE A 27 4.450 42.257 32.254 1.00 0.00 H new ATOM 0 HE1 PHE A 27 3.274 46.349 29.808 1.00 0.00 H new ATOM 0 HE2 PHE A 27 2.079 42.717 31.605 1.00 0.00 H new ATOM 0 HZ PHE A 27 1.519 44.760 30.397 1.00 0.00 H new ATOM 437 N LEU A 28 8.724 45.824 32.917 1.00 0.00 N ATOM 438 CA LEU A 28 9.008 46.944 33.797 1.00 0.00 C ATOM 439 C LEU A 28 9.946 47.921 33.086 1.00 0.00 C ATOM 440 O LEU A 28 10.027 49.091 33.456 1.00 0.00 O ATOM 441 CB LEU A 28 9.542 46.447 35.142 1.00 0.00 C ATOM 442 CG LEU A 28 9.634 47.493 36.256 1.00 0.00 C ATOM 443 CD1 LEU A 28 8.324 48.274 36.383 1.00 0.00 C ATOM 444 CD2 LEU A 28 10.049 46.849 37.580 1.00 0.00 C ATOM 0 H LEU A 28 9.250 44.975 33.124 1.00 0.00 H new ATOM 0 HA LEU A 28 8.093 47.490 34.026 1.00 0.00 H new ATOM 0 HB2 LEU A 28 8.903 45.634 35.486 1.00 0.00 H new ATOM 0 HB3 LEU A 28 10.535 46.026 34.983 1.00 0.00 H new ATOM 0 HG LEU A 28 10.411 48.209 35.990 1.00 0.00 H new ATOM 0 HD11 LEU A 28 8.415 49.011 37.181 1.00 0.00 H new ATOM 0 HD12 LEU A 28 8.111 48.782 35.443 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.511 47.586 36.616 1.00 0.00 H new ATOM 0 HD21 LEU A 28 10.107 47.614 38.354 1.00 0.00 H new ATOM 0 HD22 LEU A 28 9.312 46.098 37.866 1.00 0.00 H new ATOM 0 HD23 LEU A 28 11.024 46.375 37.464 1.00 0.00 H new ATOM 456 N GLN A 29 10.632 47.405 32.077 1.00 0.00 N ATOM 457 CA GLN A 29 11.561 48.216 31.311 1.00 0.00 C ATOM 458 C GLN A 29 10.799 49.207 30.429 1.00 0.00 C ATOM 459 O GLN A 29 10.977 50.418 30.552 1.00 0.00 O ATOM 460 CB GLN A 29 12.492 47.339 30.470 1.00 0.00 C ATOM 461 CG GLN A 29 13.878 47.242 31.109 1.00 0.00 C ATOM 462 CD GLN A 29 14.668 46.066 30.531 1.00 0.00 C ATOM 463 OE1 GLN A 29 14.605 44.947 31.010 1.00 0.00 O ATOM 464 NE2 GLN A 29 15.413 46.382 29.475 1.00 0.00 N ATOM 0 H GLN A 29 10.562 46.434 31.772 1.00 0.00 H new ATOM 0 HA GLN A 29 12.179 48.781 32.009 1.00 0.00 H new ATOM 0 HB2 GLN A 29 12.064 46.342 30.368 1.00 0.00 H new ATOM 0 HB3 GLN A 29 12.579 47.753 29.466 1.00 0.00 H new ATOM 0 HG2 GLN A 29 14.425 48.170 30.941 1.00 0.00 H new ATOM 0 HG3 GLN A 29 13.777 47.122 32.188 1.00 0.00 H new ATOM 0 HE21 GLN A 29 15.420 47.340 29.124 1.00 0.00 H new ATOM 0 HE22 GLN A 29 15.977 45.667 29.016 1.00 0.00 H new ATOM 473 N ALA A 30 9.964 48.657 29.559 1.00 0.00 N ATOM 474 CA ALA A 30 9.173 49.477 28.658 1.00 0.00 C ATOM 475 C ALA A 30 8.361 50.486 29.473 1.00 0.00 C ATOM 476 O ALA A 30 8.142 51.612 29.032 1.00 0.00 O ATOM 477 CB ALA A 30 8.287 48.578 27.795 1.00 0.00 C ATOM 0 H ALA A 30 9.818 47.652 29.459 1.00 0.00 H new ATOM 0 HA ALA A 30 9.819 50.041 27.985 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.693 49.193 27.119 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.913 47.900 27.214 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.623 47.999 28.436 1.00 0.00 H new ATOM 483 N ALA A 31 7.939 50.045 30.649 1.00 0.00 N ATOM 484 CA ALA A 31 7.156 50.896 31.530 1.00 0.00 C ATOM 485 C ALA A 31 8.060 51.980 32.121 1.00 0.00 C ATOM 486 O ALA A 31 7.575 52.980 32.645 1.00 0.00 O ATOM 487 CB ALA A 31 6.491 50.039 32.608 1.00 0.00 C ATOM 0 H ALA A 31 8.124 49.110 31.012 1.00 0.00 H new ATOM 0 HA ALA A 31 6.362 51.396 30.975 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.904 50.677 33.269 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.837 49.305 32.137 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.257 49.524 33.187 1.00 0.00 H new ATOM 493 N TYR A 32 9.360 51.742 32.017 1.00 0.00 N ATOM 494 CA TYR A 32 10.336 52.685 32.535 1.00 0.00 C ATOM 495 C TYR A 32 10.834 53.621 31.432 1.00 0.00 C ATOM 496 O TYR A 32 11.424 54.662 31.715 1.00 0.00 O ATOM 497 CB TYR A 32 11.509 51.842 33.039 1.00 0.00 C ATOM 498 CG TYR A 32 11.862 52.084 34.509 1.00 0.00 C ATOM 499 CD1 TYR A 32 11.110 51.494 35.505 1.00 0.00 C ATOM 500 CD2 TYR A 32 12.932 52.889 34.838 1.00 0.00 C ATOM 501 CE1 TYR A 32 11.441 51.722 36.887 1.00 0.00 C ATOM 502 CE2 TYR A 32 13.263 53.117 36.222 1.00 0.00 C ATOM 503 CZ TYR A 32 12.502 52.521 37.178 1.00 0.00 C ATOM 504 OH TYR A 32 12.815 52.735 38.484 1.00 0.00 O ATOM 0 H TYR A 32 9.759 50.910 31.582 1.00 0.00 H new ATOM 0 HA TYR A 32 9.896 53.301 33.319 1.00 0.00 H new ATOM 0 HB2 TYR A 32 11.271 50.787 32.902 1.00 0.00 H new ATOM 0 HB3 TYR A 32 12.385 52.053 32.426 1.00 0.00 H new ATOM 0 HD1 TYR A 32 10.273 50.861 35.247 1.00 0.00 H new ATOM 0 HD2 TYR A 32 13.522 53.349 34.059 1.00 0.00 H new ATOM 0 HE1 TYR A 32 10.859 51.268 37.676 1.00 0.00 H new ATOM 0 HE2 TYR A 32 14.097 53.747 36.494 1.00 0.00 H new ATOM 0 HH TYR A 32 13.596 53.324 38.541 1.00 0.00 H new ATOM 514 N ARG A 33 10.577 53.217 30.197 1.00 0.00 N ATOM 515 CA ARG A 33 10.991 54.006 29.049 1.00 0.00 C ATOM 516 C ARG A 33 9.876 54.968 28.636 1.00 0.00 C ATOM 517 O ARG A 33 10.127 55.958 27.951 1.00 0.00 O ATOM 518 CB ARG A 33 11.346 53.108 27.862 1.00 0.00 C ATOM 519 CG ARG A 33 12.648 53.564 27.199 1.00 0.00 C ATOM 520 CD ARG A 33 12.539 55.012 26.716 1.00 0.00 C ATOM 521 NE ARG A 33 12.938 55.940 27.798 1.00 0.00 N ATOM 522 CZ ARG A 33 12.761 57.277 27.753 1.00 0.00 C ATOM 523 NH1 ARG A 33 12.188 57.857 26.676 1.00 0.00 N ATOM 524 NH2 ARG A 33 13.156 58.009 28.777 1.00 0.00 N ATOM 0 H ARG A 33 10.087 52.353 29.966 1.00 0.00 H new ATOM 0 HA ARG A 33 11.876 54.573 29.338 1.00 0.00 H new ATOM 0 HB2 ARG A 33 11.447 52.077 28.199 1.00 0.00 H new ATOM 0 HB3 ARG A 33 10.536 53.127 27.132 1.00 0.00 H new ATOM 0 HG2 ARG A 33 13.472 53.474 27.907 1.00 0.00 H new ATOM 0 HG3 ARG A 33 12.879 52.912 26.357 1.00 0.00 H new ATOM 0 HD2 ARG A 33 13.176 55.162 25.844 1.00 0.00 H new ATOM 0 HD3 ARG A 33 11.516 55.223 26.404 1.00 0.00 H new ATOM 0 HE ARG A 33 13.374 55.544 28.630 1.00 0.00 H new ATOM 0 HH11 ARG A 33 11.885 57.284 25.889 1.00 0.00 H new ATOM 0 HH12 ARG A 33 12.058 58.868 26.650 1.00 0.00 H new ATOM 0 HH21 ARG A 33 13.588 57.563 29.586 1.00 0.00 H new ATOM 0 HH22 ARG A 33 13.030 59.021 28.759 1.00 0.00 H new ATOM 537 N LEU A 34 8.666 54.644 29.071 1.00 0.00 N ATOM 538 CA LEU A 34 7.511 55.467 28.755 1.00 0.00 C ATOM 539 C LEU A 34 7.702 56.858 29.361 1.00 0.00 C ATOM 540 O LEU A 34 7.781 57.850 28.637 1.00 0.00 O ATOM 541 CB LEU A 34 6.222 54.774 29.198 1.00 0.00 C ATOM 542 CG LEU A 34 5.665 53.718 28.241 1.00 0.00 C ATOM 543 CD1 LEU A 34 4.505 52.954 28.882 1.00 0.00 C ATOM 544 CD2 LEU A 34 5.269 54.344 26.903 1.00 0.00 C ATOM 0 H LEU A 34 8.461 53.822 29.640 1.00 0.00 H new ATOM 0 HA LEU A 34 7.419 55.598 27.677 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.400 54.302 30.164 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.458 55.536 29.352 1.00 0.00 H new ATOM 0 HG LEU A 34 6.453 52.994 28.036 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.128 52.210 28.181 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.853 52.456 29.787 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.706 53.651 29.136 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.876 53.571 26.242 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.504 55.103 27.069 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.144 54.804 26.444 1.00 0.00 H new ATOM 665 N PHE A 43 0.493 50.575 38.049 1.00 0.00 N ATOM 666 CA PHE A 43 1.113 49.273 38.221 1.00 0.00 C ATOM 667 C PHE A 43 0.097 48.242 38.716 1.00 0.00 C ATOM 668 O PHE A 43 0.388 47.047 38.758 1.00 0.00 O ATOM 669 CB PHE A 43 2.210 49.436 39.275 1.00 0.00 C ATOM 670 CG PHE A 43 3.541 48.783 38.895 1.00 0.00 C ATOM 671 CD1 PHE A 43 4.108 49.049 37.687 1.00 0.00 C ATOM 672 CD2 PHE A 43 4.156 47.937 39.763 1.00 0.00 C ATOM 673 CE1 PHE A 43 5.343 48.443 37.334 1.00 0.00 C ATOM 674 CE2 PHE A 43 5.390 47.330 39.410 1.00 0.00 C ATOM 675 CZ PHE A 43 5.957 47.597 38.203 1.00 0.00 C ATOM 0 HA PHE A 43 1.511 48.923 37.269 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.376 50.499 39.451 1.00 0.00 H new ATOM 0 HB3 PHE A 43 1.863 49.008 40.215 1.00 0.00 H new ATOM 0 HD1 PHE A 43 3.619 49.721 36.997 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.706 47.726 40.722 1.00 0.00 H new ATOM 0 HE1 PHE A 43 5.794 48.654 36.376 1.00 0.00 H new ATOM 0 HE2 PHE A 43 5.878 46.657 40.099 1.00 0.00 H new ATOM 0 HZ PHE A 43 6.896 47.136 37.935 1.00 0.00 H new ATOM 685 N GLN A 44 -1.077 48.740 39.077 1.00 0.00 N ATOM 686 CA GLN A 44 -2.137 47.877 39.567 1.00 0.00 C ATOM 687 C GLN A 44 -2.855 47.203 38.396 1.00 0.00 C ATOM 688 O GLN A 44 -2.978 45.979 38.361 1.00 0.00 O ATOM 689 CB GLN A 44 -3.124 48.660 40.436 1.00 0.00 C ATOM 690 CG GLN A 44 -3.861 49.718 39.612 1.00 0.00 C ATOM 691 CD GLN A 44 -4.601 50.703 40.520 1.00 0.00 C ATOM 692 OE1 GLN A 44 -5.817 50.699 40.624 1.00 0.00 O ATOM 693 NE2 GLN A 44 -3.802 51.544 41.169 1.00 0.00 N ATOM 0 H GLN A 44 -1.317 49.731 39.040 1.00 0.00 H new ATOM 0 HA GLN A 44 -1.690 47.102 40.190 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -3.845 47.974 40.882 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -2.590 49.140 41.257 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -3.150 50.258 38.987 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -4.570 49.233 38.941 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -2.792 51.493 41.036 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -4.199 52.240 41.800 1.00 0.00 H new ATOM 702 N GLN A 45 -3.311 48.029 37.466 1.00 0.00 N ATOM 703 CA GLN A 45 -4.013 47.527 36.297 1.00 0.00 C ATOM 704 C GLN A 45 -3.072 46.685 35.433 1.00 0.00 C ATOM 705 O GLN A 45 -3.513 46.008 34.506 1.00 0.00 O ATOM 706 CB GLN A 45 -4.620 48.674 35.488 1.00 0.00 C ATOM 707 CG GLN A 45 -6.011 49.038 36.011 1.00 0.00 C ATOM 708 CD GLN A 45 -7.105 48.420 35.138 1.00 0.00 C ATOM 709 OE1 GLN A 45 -6.898 48.086 33.982 1.00 0.00 O ATOM 710 NE2 GLN A 45 -8.277 48.287 35.752 1.00 0.00 N ATOM 0 H GLN A 45 -3.208 49.043 37.498 1.00 0.00 H new ATOM 0 HA GLN A 45 -4.831 46.891 36.634 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -3.968 49.546 35.541 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -4.686 48.388 34.438 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -6.120 48.689 37.038 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -6.124 50.122 36.029 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -8.382 48.587 36.721 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -9.071 47.885 35.254 1.00 0.00 H new ATOM 719 N LEU A 46 -1.792 46.754 35.770 1.00 0.00 N ATOM 720 CA LEU A 46 -0.785 46.007 35.036 1.00 0.00 C ATOM 721 C LEU A 46 -0.623 44.621 35.667 1.00 0.00 C ATOM 722 O LEU A 46 -0.494 43.625 34.958 1.00 0.00 O ATOM 723 CB LEU A 46 0.520 46.801 34.956 1.00 0.00 C ATOM 724 CG LEU A 46 1.550 46.301 33.941 1.00 0.00 C ATOM 725 CD1 LEU A 46 2.895 47.007 34.130 1.00 0.00 C ATOM 726 CD2 LEU A 46 1.687 44.779 34.004 1.00 0.00 C ATOM 0 H LEU A 46 -1.430 47.315 36.541 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.102 45.854 34.004 1.00 0.00 H new ATOM 0 HB2 LEU A 46 0.278 47.837 34.717 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.983 46.801 35.943 1.00 0.00 H new ATOM 0 HG LEU A 46 1.194 46.551 32.942 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.609 46.633 33.396 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.765 48.081 33.995 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.271 46.811 35.134 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.425 44.450 33.273 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.009 44.484 35.003 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.725 44.318 33.782 1.00 0.00 H new ATOM 738 N ARG A 47 -0.636 44.605 36.992 1.00 0.00 N ATOM 739 CA ARG A 47 -0.494 43.359 37.726 1.00 0.00 C ATOM 740 C ARG A 47 -1.714 42.464 37.494 1.00 0.00 C ATOM 741 O ARG A 47 -1.617 41.241 37.589 1.00 0.00 O ATOM 742 CB ARG A 47 -0.338 43.618 39.225 1.00 0.00 C ATOM 743 CG ARG A 47 0.291 42.413 39.928 1.00 0.00 C ATOM 744 CD ARG A 47 -0.676 41.805 40.946 1.00 0.00 C ATOM 745 NE ARG A 47 -0.851 42.726 42.091 1.00 0.00 N ATOM 746 CZ ARG A 47 -1.695 42.502 43.120 1.00 0.00 C ATOM 747 NH1 ARG A 47 -2.449 41.383 43.157 1.00 0.00 N ATOM 748 NH2 ARG A 47 -1.772 43.393 44.090 1.00 0.00 N ATOM 0 H ARG A 47 -0.743 45.435 37.576 1.00 0.00 H new ATOM 0 HA ARG A 47 0.403 42.859 37.360 1.00 0.00 H new ATOM 0 HB2 ARG A 47 0.283 44.500 39.382 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -1.313 43.832 39.664 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.568 41.660 39.190 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.209 42.719 40.431 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -1.639 41.611 40.474 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -0.294 40.846 41.295 1.00 0.00 H new ATOM 0 HE ARG A 47 -0.299 43.584 42.103 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -2.383 40.699 42.403 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -3.084 41.222 43.939 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -1.199 44.236 44.055 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -2.405 43.239 44.875 1.00 0.00 H new ATOM 761 N ARG A 48 -2.831 43.108 37.193 1.00 0.00 N ATOM 762 CA ARG A 48 -4.067 42.384 36.946 1.00 0.00 C ATOM 763 C ARG A 48 -3.945 41.541 35.675 1.00 0.00 C ATOM 764 O ARG A 48 -4.345 40.379 35.656 1.00 0.00 O ATOM 765 CB ARG A 48 -5.249 43.346 36.800 1.00 0.00 C ATOM 766 CG ARG A 48 -6.551 42.582 36.554 1.00 0.00 C ATOM 767 CD ARG A 48 -7.087 41.978 37.854 1.00 0.00 C ATOM 768 NE ARG A 48 -8.420 42.539 38.162 1.00 0.00 N ATOM 769 CZ ARG A 48 -8.951 42.593 39.402 1.00 0.00 C ATOM 770 NH1 ARG A 48 -8.264 42.118 40.463 1.00 0.00 N ATOM 771 NH2 ARG A 48 -10.151 43.117 39.563 1.00 0.00 N ATOM 0 H ARG A 48 -2.907 44.122 37.114 1.00 0.00 H new ATOM 0 HA ARG A 48 -4.246 41.733 37.802 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -5.343 43.951 37.702 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -5.064 44.032 35.973 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -7.296 43.254 36.127 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -6.380 41.790 35.825 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -7.153 40.894 37.761 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -6.398 42.186 38.672 1.00 0.00 H new ATOM 0 HE ARG A 48 -8.973 42.908 37.389 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -7.337 41.715 40.331 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -8.673 42.163 41.397 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -10.664 43.474 38.757 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -10.566 43.165 40.494 1.00 0.00 H new ATOM 784 N PHE A 49 -3.391 42.161 34.644 1.00 0.00 N ATOM 785 CA PHE A 49 -3.211 41.483 33.371 1.00 0.00 C ATOM 786 C PHE A 49 -2.335 40.239 33.532 1.00 0.00 C ATOM 787 O PHE A 49 -2.542 39.237 32.850 1.00 0.00 O ATOM 788 CB PHE A 49 -2.510 42.468 32.434 1.00 0.00 C ATOM 789 CG PHE A 49 -2.198 41.896 31.051 1.00 0.00 C ATOM 790 CD1 PHE A 49 -3.191 41.349 30.300 1.00 0.00 C ATOM 791 CD2 PHE A 49 -0.925 41.933 30.570 1.00 0.00 C ATOM 792 CE1 PHE A 49 -2.901 40.817 29.015 1.00 0.00 C ATOM 793 CE2 PHE A 49 -0.634 41.401 29.287 1.00 0.00 C ATOM 794 CZ PHE A 49 -1.628 40.855 28.536 1.00 0.00 C ATOM 0 H PHE A 49 -3.061 43.126 34.664 1.00 0.00 H new ATOM 0 HA PHE A 49 -4.177 41.166 32.978 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -3.137 43.352 32.317 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -1.580 42.796 32.898 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -4.201 41.319 30.681 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -0.136 42.368 31.165 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -3.690 40.383 28.419 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.377 41.430 28.907 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.407 40.451 27.559 1.00 0.00 H new ATOM 804 N LEU A 50 -1.374 40.344 34.438 1.00 0.00 N ATOM 805 CA LEU A 50 -0.465 39.241 34.698 1.00 0.00 C ATOM 806 C LEU A 50 -1.214 38.134 35.444 1.00 0.00 C ATOM 807 O LEU A 50 -1.244 36.989 34.994 1.00 0.00 O ATOM 808 CB LEU A 50 0.785 39.736 35.427 1.00 0.00 C ATOM 809 CG LEU A 50 1.546 40.879 34.751 1.00 0.00 C ATOM 810 CD1 LEU A 50 2.427 41.622 35.759 1.00 0.00 C ATOM 811 CD2 LEU A 50 2.351 40.368 33.554 1.00 0.00 C ATOM 0 H LEU A 50 -1.205 41.177 35.002 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.110 38.812 33.761 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.494 40.060 36.426 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.467 38.895 35.550 1.00 0.00 H new ATOM 0 HG LEU A 50 0.819 41.595 34.369 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.957 42.429 35.253 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.803 42.037 36.551 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.149 40.929 36.192 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.882 41.200 33.091 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.069 39.621 33.891 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.675 39.919 32.826 1.00 0.00 H new ATOM 823 N LYS A 51 -1.800 38.515 36.570 1.00 0.00 N ATOM 824 CA LYS A 51 -2.546 37.568 37.382 1.00 0.00 C ATOM 825 C LYS A 51 -3.644 36.927 36.530 1.00 0.00 C ATOM 826 O LYS A 51 -4.057 35.799 36.791 1.00 0.00 O ATOM 827 CB LYS A 51 -3.068 38.246 38.650 1.00 0.00 C ATOM 828 CG LYS A 51 -2.044 38.156 39.782 1.00 0.00 C ATOM 829 CD LYS A 51 -2.432 37.070 40.788 1.00 0.00 C ATOM 830 CE LYS A 51 -2.435 37.621 42.215 1.00 0.00 C ATOM 831 NZ LYS A 51 -3.107 36.675 43.134 1.00 0.00 N ATOM 0 H LYS A 51 -1.773 39.466 36.939 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.896 36.762 37.723 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.293 39.292 38.441 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.001 37.775 38.961 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -1.059 37.939 39.369 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.972 39.118 40.290 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.419 36.679 40.543 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.732 36.237 40.717 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.411 37.794 42.547 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.945 38.584 42.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.100 37.064 44.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -4.090 36.530 42.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -2.604 35.765 43.124 1.00 0.00 H new ATOM 844 N LEU A 52 -4.084 37.674 35.528 1.00 0.00 N ATOM 845 CA LEU A 52 -5.126 37.193 34.637 1.00 0.00 C ATOM 846 C LEU A 52 -4.586 36.021 33.815 1.00 0.00 C ATOM 847 O LEU A 52 -5.169 34.938 33.813 1.00 0.00 O ATOM 848 CB LEU A 52 -5.676 38.339 33.787 1.00 0.00 C ATOM 849 CG LEU A 52 -6.551 37.933 32.599 1.00 0.00 C ATOM 850 CD1 LEU A 52 -7.529 39.051 32.232 1.00 0.00 C ATOM 851 CD2 LEU A 52 -5.693 37.507 31.406 1.00 0.00 C ATOM 0 H LEU A 52 -3.738 38.609 35.314 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.974 36.818 35.210 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.257 38.997 34.433 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -4.835 38.922 33.411 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.146 37.068 32.892 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.139 38.737 31.385 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -8.174 39.265 33.084 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.972 39.949 31.965 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.340 37.224 30.576 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.055 38.337 31.102 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.072 36.657 31.689 1.00 0.00 H new ATOM 863 N ALA A 53 -3.477 36.277 33.137 1.00 0.00 N ATOM 864 CA ALA A 53 -2.851 35.257 32.312 1.00 0.00 C ATOM 865 C ALA A 53 -2.575 34.017 33.165 1.00 0.00 C ATOM 866 O ALA A 53 -2.546 32.900 32.651 1.00 0.00 O ATOM 867 CB ALA A 53 -1.581 35.822 31.676 1.00 0.00 C ATOM 0 H ALA A 53 -2.995 37.176 33.142 1.00 0.00 H new ATOM 0 HA ALA A 53 -3.515 34.958 31.501 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -1.112 35.057 31.058 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.836 36.683 31.057 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.888 36.130 32.459 1.00 0.00 H new ATOM 873 N LEU A 54 -2.378 34.256 34.453 1.00 0.00 N ATOM 874 CA LEU A 54 -2.104 33.173 35.382 1.00 0.00 C ATOM 875 C LEU A 54 -3.321 32.246 35.451 1.00 0.00 C ATOM 876 O LEU A 54 -3.237 31.147 35.994 1.00 0.00 O ATOM 877 CB LEU A 54 -1.676 33.728 36.742 1.00 0.00 C ATOM 878 CG LEU A 54 -0.380 33.157 37.322 1.00 0.00 C ATOM 879 CD1 LEU A 54 0.734 33.151 36.274 1.00 0.00 C ATOM 880 CD2 LEU A 54 0.029 33.908 38.590 1.00 0.00 C ATOM 0 H LEU A 54 -2.403 35.184 34.875 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.265 32.573 35.031 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.566 34.809 36.653 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.480 33.548 37.455 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.560 32.120 37.605 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.644 32.740 36.712 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.432 32.538 35.425 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.922 34.170 35.937 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.953 33.483 38.983 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.185 34.961 38.355 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.759 33.816 39.337 1.00 0.00 H new ATOM 892 N LYS A 55 -4.421 32.726 34.892 1.00 0.00 N ATOM 893 CA LYS A 55 -5.653 31.955 34.884 1.00 0.00 C ATOM 894 C LYS A 55 -5.547 30.845 33.837 1.00 0.00 C ATOM 895 O LYS A 55 -6.464 30.038 33.687 1.00 0.00 O ATOM 896 CB LYS A 55 -6.860 32.876 34.685 1.00 0.00 C ATOM 897 CG LYS A 55 -8.165 32.145 35.010 1.00 0.00 C ATOM 898 CD LYS A 55 -8.302 31.911 36.515 1.00 0.00 C ATOM 899 CE LYS A 55 -8.877 30.524 36.805 1.00 0.00 C ATOM 900 NZ LYS A 55 -9.939 30.606 37.833 1.00 0.00 N ATOM 0 H LYS A 55 -4.486 33.639 34.441 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.806 31.471 35.848 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.762 33.754 35.324 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.885 33.232 33.655 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -9.012 32.729 34.651 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.191 31.190 34.486 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -7.327 32.011 36.992 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -8.949 32.674 36.948 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -9.282 30.093 35.889 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -8.083 29.859 37.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -10.318 29.655 38.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.542 30.997 38.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -10.704 31.224 37.494 1.00 0.00 H new ATOM 913 N THR A 56 -4.421 30.839 33.139 1.00 0.00 N ATOM 914 CA THR A 56 -4.183 29.841 32.110 1.00 0.00 C ATOM 915 C THR A 56 -2.684 29.575 31.960 1.00 0.00 C ATOM 916 O THR A 56 -1.986 30.311 31.263 1.00 0.00 O ATOM 917 CB THR A 56 -4.847 30.325 30.819 1.00 0.00 C ATOM 918 OG1 THR A 56 -4.693 29.232 29.918 1.00 0.00 O ATOM 919 CG2 THR A 56 -4.074 31.466 30.156 1.00 0.00 C ATOM 0 H THR A 56 -3.663 31.510 33.266 1.00 0.00 H new ATOM 0 HA THR A 56 -4.625 28.882 32.380 1.00 0.00 H new ATOM 0 HB THR A 56 -5.864 30.653 31.035 1.00 0.00 H new ATOM 0 HG1 THR A 56 -5.231 29.392 29.115 1.00 0.00 H new ATOM 0 HG21 THR A 56 -4.587 31.772 29.244 1.00 0.00 H new ATOM 0 HG22 THR A 56 -4.015 32.312 30.841 1.00 0.00 H new ATOM 0 HG23 THR A 56 -3.067 31.128 29.909 1.00 0.00 H new ATOM 927 N PRO A 57 -2.220 28.494 32.644 1.00 0.00 N ATOM 928 CA PRO A 57 -0.816 28.123 32.594 1.00 0.00 C ATOM 929 C PRO A 57 -0.470 27.470 31.254 1.00 0.00 C ATOM 930 O PRO A 57 -0.175 26.276 31.200 1.00 0.00 O ATOM 931 CB PRO A 57 -0.612 27.195 33.779 1.00 0.00 C ATOM 932 CG PRO A 57 -1.999 26.713 34.174 1.00 0.00 C ATOM 933 CD PRO A 57 -3.017 27.602 33.479 1.00 0.00 C ATOM 0 HA PRO A 57 -0.150 28.983 32.661 1.00 0.00 H new ATOM 0 HB2 PRO A 57 0.032 26.357 33.512 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.130 27.717 34.605 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.139 25.672 33.882 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -2.126 26.761 35.256 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -3.712 27.014 32.880 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -3.612 28.162 34.201 1.00 0.00 H new ATOM 941 N ILE A 58 -0.517 28.279 30.206 1.00 0.00 N ATOM 942 CA ILE A 58 -0.211 27.793 28.872 1.00 0.00 C ATOM 943 C ILE A 58 0.990 28.560 28.317 1.00 0.00 C ATOM 944 O ILE A 58 1.686 28.073 27.428 1.00 0.00 O ATOM 945 CB ILE A 58 -1.452 27.865 27.979 1.00 0.00 C ATOM 946 CG1 ILE A 58 -1.082 28.300 26.559 1.00 0.00 C ATOM 947 CG2 ILE A 58 -2.520 28.771 28.595 1.00 0.00 C ATOM 948 CD1 ILE A 58 -0.194 27.254 25.881 1.00 0.00 C ATOM 0 H ILE A 58 -0.762 29.268 30.254 1.00 0.00 H new ATOM 0 HA ILE A 58 0.070 26.740 28.905 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.880 26.865 27.909 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.988 28.449 25.972 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.563 29.258 26.592 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.391 28.804 27.940 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -2.813 28.378 29.569 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.118 29.777 28.716 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.055 27.586 24.873 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.722 27.126 26.458 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.726 26.304 25.829 1.00 0.00 H new ATOM 960 N TRP A 59 1.198 29.748 28.866 1.00 0.00 N ATOM 961 CA TRP A 59 2.304 30.588 28.436 1.00 0.00 C ATOM 962 C TRP A 59 3.480 30.341 29.384 1.00 0.00 C ATOM 963 O TRP A 59 4.633 30.563 29.019 1.00 0.00 O ATOM 964 CB TRP A 59 1.884 32.058 28.374 1.00 0.00 C ATOM 965 CG TRP A 59 1.063 32.522 29.579 1.00 0.00 C ATOM 966 CD1 TRP A 59 -0.233 32.299 29.830 1.00 0.00 C ATOM 967 CD2 TRP A 59 1.541 33.305 30.694 1.00 0.00 C ATOM 968 NE1 TRP A 59 -0.626 32.876 31.020 1.00 0.00 N ATOM 969 CE2 TRP A 59 0.487 33.508 31.562 1.00 0.00 C ATOM 970 CE3 TRP A 59 2.820 33.824 30.960 1.00 0.00 C ATOM 971 CZ2 TRP A 59 0.605 34.233 32.754 1.00 0.00 C ATOM 972 CZ3 TRP A 59 2.921 34.546 32.156 1.00 0.00 C ATOM 973 CH2 TRP A 59 1.871 34.759 33.040 1.00 0.00 C ATOM 0 H TRP A 59 0.620 30.149 29.604 1.00 0.00 H new ATOM 0 HA TRP A 59 2.613 30.331 27.423 1.00 0.00 H new ATOM 0 HB2 TRP A 59 2.777 32.677 28.296 1.00 0.00 H new ATOM 0 HB3 TRP A 59 1.303 32.221 27.467 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -0.889 31.737 29.182 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -1.561 32.845 31.427 1.00 0.00 H new ATOM 0 HE3 TRP A 59 3.658 33.678 30.295 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -0.235 34.379 33.417 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 3.883 34.967 32.409 1.00 0.00 H new ATOM 0 HH2 TRP A 59 2.030 35.328 33.944 1.00 0.00 H new ATOM 984 N LEU A 60 3.146 29.886 30.584 1.00 0.00 N ATOM 985 CA LEU A 60 4.161 29.607 31.586 1.00 0.00 C ATOM 986 C LEU A 60 4.983 28.394 31.149 1.00 0.00 C ATOM 987 O LEU A 60 6.209 28.466 31.073 1.00 0.00 O ATOM 988 CB LEU A 60 3.519 29.451 32.967 1.00 0.00 C ATOM 989 CG LEU A 60 3.913 30.496 34.012 1.00 0.00 C ATOM 990 CD1 LEU A 60 4.084 31.875 33.370 1.00 0.00 C ATOM 991 CD2 LEU A 60 2.911 30.522 35.168 1.00 0.00 C ATOM 0 H LEU A 60 2.188 29.704 30.884 1.00 0.00 H new ATOM 0 HA LEU A 60 4.852 30.445 31.673 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.436 29.477 32.847 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.774 28.465 33.355 1.00 0.00 H new ATOM 0 HG LEU A 60 4.879 30.213 34.431 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.364 32.600 34.134 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.864 31.829 32.611 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.145 32.180 32.907 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.215 31.274 35.896 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.920 30.768 34.785 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.883 29.543 35.647 1.00 0.00 H new ATOM 1003 N ASN A 61 4.276 27.308 30.874 1.00 0.00 N ATOM 1004 CA ASN A 61 4.927 26.080 30.448 1.00 0.00 C ATOM 1005 C ASN A 61 5.977 26.408 29.385 1.00 0.00 C ATOM 1006 O ASN A 61 7.162 26.136 29.572 1.00 0.00 O ATOM 1007 CB ASN A 61 3.918 25.108 29.831 1.00 0.00 C ATOM 1008 CG ASN A 61 3.819 23.825 30.657 1.00 0.00 C ATOM 1009 OD1 ASN A 61 4.512 23.635 31.643 1.00 0.00 O ATOM 1010 ND2 ASN A 61 2.922 22.956 30.201 1.00 0.00 N ATOM 0 H ASN A 61 3.260 27.252 30.938 1.00 0.00 H new ATOM 0 HA ASN A 61 5.384 25.619 31.323 1.00 0.00 H new ATOM 0 HB2 ASN A 61 2.939 25.583 29.772 1.00 0.00 H new ATOM 0 HB3 ASN A 61 4.217 24.866 28.811 1.00 0.00 H new ATOM 0 HD21 ASN A 61 2.781 22.068 30.683 1.00 0.00 H new ATOM 0 HD22 ASN A 61 2.374 23.177 29.369 1.00 0.00 H new ATOM 1017 N PRO A 62 5.493 27.004 28.261 1.00 0.00 N ATOM 1018 CA PRO A 62 6.377 27.371 27.168 1.00 0.00 C ATOM 1019 C PRO A 62 7.193 28.617 27.519 1.00 0.00 C ATOM 1020 O PRO A 62 8.133 28.968 26.806 1.00 0.00 O ATOM 1021 CB PRO A 62 5.460 27.578 25.973 1.00 0.00 C ATOM 1022 CG PRO A 62 4.066 27.773 26.548 1.00 0.00 C ATOM 1023 CD PRO A 62 4.096 27.340 28.004 1.00 0.00 C ATOM 0 HA PRO A 62 7.122 26.605 26.953 1.00 0.00 H new ATOM 0 HB2 PRO A 62 5.767 28.446 25.390 1.00 0.00 H new ATOM 0 HB3 PRO A 62 5.490 26.718 25.304 1.00 0.00 H new ATOM 0 HG2 PRO A 62 3.762 28.817 26.467 1.00 0.00 H new ATOM 0 HG3 PRO A 62 3.338 27.185 25.990 1.00 0.00 H new ATOM 0 HD2 PRO A 62 3.753 28.139 28.662 1.00 0.00 H new ATOM 0 HD3 PRO A 62 3.444 26.483 28.176 1.00 0.00 H new ATOM 1031 N ILE A 63 6.804 29.251 28.615 1.00 0.00 N ATOM 1032 CA ILE A 63 7.487 30.451 29.068 1.00 0.00 C ATOM 1033 C ILE A 63 7.876 31.298 27.856 1.00 0.00 C ATOM 1034 O ILE A 63 8.958 31.131 27.298 1.00 0.00 O ATOM 1035 CB ILE A 63 8.670 30.086 29.968 1.00 0.00 C ATOM 1036 CG1 ILE A 63 9.314 31.339 30.562 1.00 0.00 C ATOM 1037 CG2 ILE A 63 9.684 29.221 29.217 1.00 0.00 C ATOM 1038 CD1 ILE A 63 8.253 32.289 31.122 1.00 0.00 C ATOM 0 H ILE A 63 6.024 28.956 29.203 1.00 0.00 H new ATOM 0 HA ILE A 63 6.823 31.059 29.683 1.00 0.00 H new ATOM 0 HB ILE A 63 8.295 29.492 30.801 1.00 0.00 H new ATOM 0 HG12 ILE A 63 10.007 31.055 31.354 1.00 0.00 H new ATOM 0 HG13 ILE A 63 9.897 31.850 29.796 1.00 0.00 H new ATOM 0 HG21 ILE A 63 10.514 28.976 29.879 1.00 0.00 H new ATOM 0 HG22 ILE A 63 9.202 28.302 28.884 1.00 0.00 H new ATOM 0 HG23 ILE A 63 10.059 29.768 28.352 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.738 33.172 31.538 1.00 0.00 H new ATOM 0 HD12 ILE A 63 7.576 32.590 30.323 1.00 0.00 H new ATOM 0 HD13 ILE A 63 7.688 31.783 31.905 1.00 0.00 H new ATOM 1050 N ASP A 64 6.971 32.193 27.485 1.00 0.00 N ATOM 1051 CA ASP A 64 7.206 33.069 26.350 1.00 0.00 C ATOM 1052 C ASP A 64 6.222 34.240 26.402 1.00 0.00 C ATOM 1053 O ASP A 64 5.014 34.047 26.272 1.00 0.00 O ATOM 1054 CB ASP A 64 6.988 32.327 25.029 1.00 0.00 C ATOM 1055 CG ASP A 64 8.133 32.453 24.021 1.00 0.00 C ATOM 1056 OD1 ASP A 64 9.164 33.082 24.302 1.00 0.00 O ATOM 1057 OD2 ASP A 64 7.931 31.864 22.891 1.00 0.00 O ATOM 0 H ASP A 64 6.074 32.330 27.951 1.00 0.00 H new ATOM 0 HA ASP A 64 8.237 33.420 26.402 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.828 31.271 25.245 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.074 32.700 24.567 1.00 0.00 H new ATOM 1063 N TYR A 65 6.776 35.428 26.594 1.00 0.00 N ATOM 1064 CA TYR A 65 5.963 36.630 26.666 1.00 0.00 C ATOM 1065 C TYR A 65 5.251 36.890 25.337 1.00 0.00 C ATOM 1066 O TYR A 65 4.381 37.757 25.254 1.00 0.00 O ATOM 1067 CB TYR A 65 6.934 37.780 26.944 1.00 0.00 C ATOM 1068 CG TYR A 65 6.592 39.074 26.204 1.00 0.00 C ATOM 1069 CD1 TYR A 65 6.846 39.184 24.852 1.00 0.00 C ATOM 1070 CD2 TYR A 65 6.033 40.133 26.889 1.00 0.00 C ATOM 1071 CE1 TYR A 65 6.524 40.402 24.155 1.00 0.00 C ATOM 1072 CE2 TYR A 65 5.711 41.352 26.193 1.00 0.00 C ATOM 1073 CZ TYR A 65 5.973 41.426 24.859 1.00 0.00 C ATOM 1074 OH TYR A 65 5.670 42.578 24.202 1.00 0.00 O ATOM 0 H TYR A 65 7.778 35.584 26.702 1.00 0.00 H new ATOM 0 HA TYR A 65 5.200 36.532 27.438 1.00 0.00 H new ATOM 0 HB2 TYR A 65 6.948 37.979 28.016 1.00 0.00 H new ATOM 0 HB3 TYR A 65 7.940 37.468 26.664 1.00 0.00 H new ATOM 0 HD1 TYR A 65 7.287 38.356 24.316 1.00 0.00 H new ATOM 0 HD2 TYR A 65 5.837 40.048 27.948 1.00 0.00 H new ATOM 0 HE1 TYR A 65 6.716 40.500 23.097 1.00 0.00 H new ATOM 0 HE2 TYR A 65 5.272 42.188 26.717 1.00 0.00 H new ATOM 0 HH TYR A 65 5.024 42.388 23.490 1.00 0.00 H new ATOM 1084 N SER A 66 5.644 36.123 24.332 1.00 0.00 N ATOM 1085 CA SER A 66 5.054 36.259 23.011 1.00 0.00 C ATOM 1086 C SER A 66 3.579 35.854 23.053 1.00 0.00 C ATOM 1087 O SER A 66 2.793 36.270 22.203 1.00 0.00 O ATOM 1088 CB SER A 66 5.808 35.415 21.981 1.00 0.00 C ATOM 1089 OG SER A 66 7.117 35.919 21.733 1.00 0.00 O ATOM 0 H SER A 66 6.364 35.405 24.405 1.00 0.00 H new ATOM 0 HA SER A 66 5.129 37.304 22.709 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.877 34.387 22.336 1.00 0.00 H new ATOM 0 HB3 SER A 66 5.245 35.394 21.048 1.00 0.00 H new ATOM 0 HG SER A 66 7.566 35.352 21.072 1.00 0.00 H new ATOM 1095 N LEU A 67 3.249 35.046 24.050 1.00 0.00 N ATOM 1096 CA LEU A 67 1.881 34.581 24.213 1.00 0.00 C ATOM 1097 C LEU A 67 1.109 35.574 25.083 1.00 0.00 C ATOM 1098 O LEU A 67 -0.121 35.566 25.099 1.00 0.00 O ATOM 1099 CB LEU A 67 1.864 33.149 24.752 1.00 0.00 C ATOM 1100 CG LEU A 67 0.485 32.504 24.899 1.00 0.00 C ATOM 1101 CD1 LEU A 67 0.605 30.993 25.108 1.00 0.00 C ATOM 1102 CD2 LEU A 67 -0.317 33.174 26.017 1.00 0.00 C ATOM 0 H LEU A 67 3.904 34.702 24.752 1.00 0.00 H new ATOM 0 HA LEU A 67 1.374 34.541 23.249 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.466 32.526 24.091 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.352 33.143 25.727 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.064 32.658 23.970 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.390 30.560 25.210 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.110 30.546 24.251 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.181 30.795 26.012 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.293 32.697 26.101 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.219 33.072 26.961 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.449 34.231 25.787 1.00 0.00 H new ATOM 1114 N LEU A 68 1.863 36.407 25.785 1.00 0.00 N ATOM 1115 CA LEU A 68 1.264 37.405 26.656 1.00 0.00 C ATOM 1116 C LEU A 68 0.538 38.448 25.803 1.00 0.00 C ATOM 1117 O LEU A 68 -0.675 38.615 25.921 1.00 0.00 O ATOM 1118 CB LEU A 68 2.317 38.001 27.591 1.00 0.00 C ATOM 1119 CG LEU A 68 2.310 37.476 29.029 1.00 0.00 C ATOM 1120 CD1 LEU A 68 3.238 38.305 29.920 1.00 0.00 C ATOM 1121 CD2 LEU A 68 0.886 37.417 29.585 1.00 0.00 C ATOM 0 H LEU A 68 2.883 36.412 25.769 1.00 0.00 H new ATOM 0 HA LEU A 68 0.518 36.947 27.305 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.302 37.816 27.162 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.180 39.082 27.619 1.00 0.00 H new ATOM 0 HG LEU A 68 2.695 36.456 29.021 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.214 37.911 30.936 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.256 38.252 29.534 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.905 39.343 29.926 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.910 37.041 30.608 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.450 38.416 29.576 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.282 36.752 28.968 1.00 0.00 H new ATOM 1133 N ALA A 69 1.311 39.123 24.966 1.00 0.00 N ATOM 1134 CA ALA A 69 0.757 40.145 24.095 1.00 0.00 C ATOM 1135 C ALA A 69 -0.441 39.569 23.336 1.00 0.00 C ATOM 1136 O ALA A 69 -1.298 40.314 22.865 1.00 0.00 O ATOM 1137 CB ALA A 69 1.848 40.662 23.155 1.00 0.00 C ATOM 0 H ALA A 69 2.317 38.982 24.872 1.00 0.00 H new ATOM 0 HA ALA A 69 0.400 40.994 24.679 1.00 0.00 H new ATOM 0 HB1 ALA A 69 1.432 41.429 22.502 1.00 0.00 H new ATOM 0 HB2 ALA A 69 2.662 41.088 23.742 1.00 0.00 H new ATOM 0 HB3 ALA A 69 2.228 39.838 22.551 1.00 0.00 H new ATOM 1143 N SER A 70 -0.461 38.247 23.243 1.00 0.00 N ATOM 1144 CA SER A 70 -1.539 37.563 22.551 1.00 0.00 C ATOM 1145 C SER A 70 -2.838 37.693 23.347 1.00 0.00 C ATOM 1146 O SER A 70 -3.906 37.893 22.772 1.00 0.00 O ATOM 1147 CB SER A 70 -1.200 36.089 22.326 1.00 0.00 C ATOM 1148 OG SER A 70 -1.934 35.531 21.239 1.00 0.00 O ATOM 0 H SER A 70 0.252 37.632 23.635 1.00 0.00 H new ATOM 0 HA SER A 70 -1.670 38.031 21.575 1.00 0.00 H new ATOM 0 HB2 SER A 70 -0.132 35.988 22.132 1.00 0.00 H new ATOM 0 HB3 SER A 70 -1.413 35.525 23.234 1.00 0.00 H new ATOM 0 HG SER A 70 -1.688 34.589 21.127 1.00 0.00 H new ATOM 1154 N LEU A 71 -2.705 37.574 24.660 1.00 0.00 N ATOM 1155 CA LEU A 71 -3.856 37.675 25.542 1.00 0.00 C ATOM 1156 C LEU A 71 -4.535 39.030 25.333 1.00 0.00 C ATOM 1157 O LEU A 71 -5.762 39.117 25.316 1.00 0.00 O ATOM 1158 CB LEU A 71 -3.445 37.410 26.992 1.00 0.00 C ATOM 1159 CG LEU A 71 -3.988 36.126 27.619 1.00 0.00 C ATOM 1160 CD1 LEU A 71 -2.878 35.087 27.788 1.00 0.00 C ATOM 1161 CD2 LEU A 71 -4.704 36.420 28.939 1.00 0.00 C ATOM 0 H LEU A 71 -1.817 37.409 25.135 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.591 36.908 25.298 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.356 37.382 27.041 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.770 38.254 27.601 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.727 35.700 26.940 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.291 34.183 28.236 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.453 34.847 26.813 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.099 35.489 28.435 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.081 35.489 29.364 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.005 36.881 29.637 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.537 37.099 28.758 1.00 0.00 H new ATOM 1173 N ILE A 72 -3.708 40.053 25.179 1.00 0.00 N ATOM 1174 CA ILE A 72 -4.213 41.399 24.971 1.00 0.00 C ATOM 1175 C ILE A 72 -5.224 41.389 23.822 1.00 0.00 C ATOM 1176 O ILE A 72 -4.869 41.095 22.681 1.00 0.00 O ATOM 1177 CB ILE A 72 -3.057 42.380 24.763 1.00 0.00 C ATOM 1178 CG1 ILE A 72 -2.009 42.234 25.869 1.00 0.00 C ATOM 1179 CG2 ILE A 72 -3.571 43.817 24.647 1.00 0.00 C ATOM 1180 CD1 ILE A 72 -1.009 43.392 25.833 1.00 0.00 C ATOM 0 H ILE A 72 -2.691 39.977 25.194 1.00 0.00 H new ATOM 0 HA ILE A 72 -4.741 41.748 25.858 1.00 0.00 H new ATOM 0 HB ILE A 72 -2.567 42.136 23.820 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.502 42.205 26.841 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.480 41.288 25.751 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.729 44.494 24.500 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -4.250 43.893 23.798 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -4.100 44.089 25.560 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.275 43.264 26.629 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.500 43.404 24.869 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.538 44.334 25.975 1.00 0.00 H new ATOM 1192 N PRO A 73 -6.495 41.722 24.172 1.00 0.00 N ATOM 1193 CA PRO A 73 -7.560 41.753 23.183 1.00 0.00 C ATOM 1194 C PRO A 73 -7.444 42.992 22.292 1.00 0.00 C ATOM 1195 O PRO A 73 -8.430 43.690 22.062 1.00 0.00 O ATOM 1196 CB PRO A 73 -8.848 41.721 23.990 1.00 0.00 C ATOM 1197 CG PRO A 73 -8.466 42.140 25.401 1.00 0.00 C ATOM 1198 CD PRO A 73 -6.952 42.075 25.513 1.00 0.00 C ATOM 0 HA PRO A 73 -7.517 40.911 22.492 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -9.590 42.399 23.569 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -9.288 40.724 23.984 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -8.821 43.149 25.609 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -8.932 41.481 26.134 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.537 43.031 25.834 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -6.641 41.331 26.246 1.00 0.00 H new ATOM 1206 N LYS A 74 -6.230 43.225 21.813 1.00 0.00 N ATOM 1207 CA LYS A 74 -5.973 44.367 20.952 1.00 0.00 C ATOM 1208 C LYS A 74 -6.943 45.497 21.307 1.00 0.00 C ATOM 1209 O LYS A 74 -8.021 45.600 20.726 1.00 0.00 O ATOM 1210 CB LYS A 74 -6.026 43.951 19.481 1.00 0.00 C ATOM 1211 CG LYS A 74 -4.976 44.703 18.661 1.00 0.00 C ATOM 1212 CD LYS A 74 -4.429 43.825 17.534 1.00 0.00 C ATOM 1213 CE LYS A 74 -5.515 43.520 16.501 1.00 0.00 C ATOM 1214 NZ LYS A 74 -5.601 42.063 16.253 1.00 0.00 N ATOM 0 H LYS A 74 -5.415 42.643 22.005 1.00 0.00 H new ATOM 0 HA LYS A 74 -4.965 44.748 21.116 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -5.858 42.877 19.397 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -7.019 44.151 19.078 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -5.416 45.607 18.241 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -4.159 45.018 19.310 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -3.592 44.328 17.050 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -4.044 42.893 17.948 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -6.476 43.892 16.855 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -5.295 44.041 15.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -6.343 41.874 15.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -4.688 41.717 15.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -5.833 41.573 17.141 1.00 0.00 H new ATOM 1227 N GLY A 75 -6.523 46.316 22.261 1.00 0.00 N ATOM 1228 CA GLY A 75 -7.340 47.434 22.700 1.00 0.00 C ATOM 1229 C GLY A 75 -7.485 47.442 24.222 1.00 0.00 C ATOM 1230 O GLY A 75 -8.126 48.329 24.784 1.00 0.00 O ATOM 0 H GLY A 75 -5.628 46.227 22.742 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -6.890 48.370 22.369 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -8.325 47.373 22.238 1.00 0.00 H new ATOM 1234 N TYR A 76 -6.880 46.443 24.848 1.00 0.00 N ATOM 1235 CA TYR A 76 -6.933 46.324 26.296 1.00 0.00 C ATOM 1236 C TYR A 76 -6.887 47.702 26.961 1.00 0.00 C ATOM 1237 O TYR A 76 -6.349 48.651 26.393 1.00 0.00 O ATOM 1238 CB TYR A 76 -5.688 45.533 26.700 1.00 0.00 C ATOM 1239 CG TYR A 76 -5.909 44.586 27.880 1.00 0.00 C ATOM 1240 CD1 TYR A 76 -7.073 43.850 27.967 1.00 0.00 C ATOM 1241 CD2 TYR A 76 -4.944 44.467 28.859 1.00 0.00 C ATOM 1242 CE1 TYR A 76 -7.281 42.958 29.077 1.00 0.00 C ATOM 1243 CE2 TYR A 76 -5.152 43.574 29.970 1.00 0.00 C ATOM 1244 CZ TYR A 76 -6.310 42.864 30.025 1.00 0.00 C ATOM 1245 OH TYR A 76 -6.507 42.022 31.074 1.00 0.00 O ATOM 0 H TYR A 76 -6.350 45.708 24.379 1.00 0.00 H new ATOM 0 HA TYR A 76 -7.857 45.836 26.608 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -5.343 44.955 25.843 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -4.892 46.233 26.953 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -7.829 43.943 27.201 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -4.033 45.043 28.792 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -8.188 42.376 29.156 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -4.404 43.471 30.742 1.00 0.00 H new ATOM 0 HH TYR A 76 -7.467 41.856 31.185 1.00 0.00 H new ATOM 1255 N PRO A 77 -7.473 47.768 28.186 1.00 0.00 N ATOM 1256 CA PRO A 77 -7.504 49.012 28.934 1.00 0.00 C ATOM 1257 C PRO A 77 -6.133 49.324 29.536 1.00 0.00 C ATOM 1258 O PRO A 77 -5.137 48.693 29.183 1.00 0.00 O ATOM 1259 CB PRO A 77 -8.582 48.812 29.987 1.00 0.00 C ATOM 1260 CG PRO A 77 -8.792 47.310 30.089 1.00 0.00 C ATOM 1261 CD PRO A 77 -8.121 46.664 28.888 1.00 0.00 C ATOM 0 HA PRO A 77 -7.733 49.874 28.307 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -8.274 49.229 30.946 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -9.505 49.317 29.702 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -8.366 46.927 31.016 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -9.856 47.073 30.105 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -7.396 45.911 29.197 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -8.849 46.162 28.250 1.00 0.00 H new ATOM 1269 N GLY A 78 -6.124 50.298 30.436 1.00 0.00 N ATOM 1270 CA GLY A 78 -4.890 50.700 31.089 1.00 0.00 C ATOM 1271 C GLY A 78 -3.793 50.984 30.063 1.00 0.00 C ATOM 1272 O GLY A 78 -4.049 50.990 28.860 1.00 0.00 O ATOM 0 H GLY A 78 -6.951 50.819 30.727 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -5.067 51.590 31.693 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -4.562 49.914 31.769 1.00 0.00 H new ATOM 1276 N ARG A 79 -2.592 51.214 30.575 1.00 0.00 N ATOM 1277 CA ARG A 79 -1.454 51.498 29.717 1.00 0.00 C ATOM 1278 C ARG A 79 -0.561 50.262 29.594 1.00 0.00 C ATOM 1279 O ARG A 79 0.613 50.374 29.245 1.00 0.00 O ATOM 1280 CB ARG A 79 -0.629 52.664 30.267 1.00 0.00 C ATOM 1281 CG ARG A 79 -1.535 53.792 30.763 1.00 0.00 C ATOM 1282 CD ARG A 79 -1.068 55.147 30.227 1.00 0.00 C ATOM 1283 NE ARG A 79 -2.092 55.712 29.319 1.00 0.00 N ATOM 1284 CZ ARG A 79 -2.147 55.463 27.994 1.00 0.00 C ATOM 1285 NH1 ARG A 79 -1.236 54.657 27.409 1.00 0.00 N ATOM 1286 NH2 ARG A 79 -3.105 56.022 27.278 1.00 0.00 N ATOM 0 H ARG A 79 -2.383 51.209 31.573 1.00 0.00 H new ATOM 0 HA ARG A 79 -1.838 51.771 28.734 1.00 0.00 H new ATOM 0 HB2 ARG A 79 0.002 52.314 31.084 1.00 0.00 H new ATOM 0 HB3 ARG A 79 0.036 53.042 29.490 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -2.561 53.605 30.445 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -1.537 53.809 31.853 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -0.887 55.832 31.055 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -0.123 55.031 29.696 1.00 0.00 H new ATOM 0 HE ARG A 79 -2.800 56.328 29.720 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -0.498 54.230 27.969 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -1.286 54.474 26.407 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -3.788 56.631 27.728 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -3.162 55.845 26.275 1.00 0.00 H new ATOM 1299 N VAL A 80 -1.151 49.113 29.889 1.00 0.00 N ATOM 1300 CA VAL A 80 -0.423 47.859 29.816 1.00 0.00 C ATOM 1301 C VAL A 80 0.078 47.647 28.385 1.00 0.00 C ATOM 1302 O VAL A 80 1.240 47.303 28.174 1.00 0.00 O ATOM 1303 CB VAL A 80 -1.304 46.712 30.316 1.00 0.00 C ATOM 1304 CG1 VAL A 80 -1.379 45.586 29.282 1.00 0.00 C ATOM 1305 CG2 VAL A 80 -0.806 46.187 31.664 1.00 0.00 C ATOM 0 H VAL A 80 -2.125 49.025 30.179 1.00 0.00 H new ATOM 0 HA VAL A 80 0.451 47.887 30.466 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.312 47.101 30.459 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.011 44.784 29.663 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.801 45.972 28.354 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.378 45.200 29.092 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -1.449 45.373 31.997 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.216 45.822 31.557 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.829 46.992 32.399 1.00 0.00 H new ATOM 1315 N VAL A 81 -0.825 47.862 27.439 1.00 0.00 N ATOM 1316 CA VAL A 81 -0.489 47.698 26.035 1.00 0.00 C ATOM 1317 C VAL A 81 0.505 48.786 25.622 1.00 0.00 C ATOM 1318 O VAL A 81 1.435 48.526 24.860 1.00 0.00 O ATOM 1319 CB VAL A 81 -1.764 47.702 25.189 1.00 0.00 C ATOM 1320 CG1 VAL A 81 -1.492 47.156 23.785 1.00 0.00 C ATOM 1321 CG2 VAL A 81 -2.880 46.914 25.876 1.00 0.00 C ATOM 0 H VAL A 81 -1.788 48.148 27.617 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.006 46.735 25.868 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.096 48.735 25.089 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.414 47.170 23.204 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -0.744 47.776 23.292 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -1.124 46.133 23.858 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -3.775 46.933 25.254 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -2.560 45.882 26.021 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.101 47.365 26.843 1.00 0.00 H new ATOM 1331 N GLU A 82 0.274 49.982 26.144 1.00 0.00 N ATOM 1332 CA GLU A 82 1.138 51.110 25.840 1.00 0.00 C ATOM 1333 C GLU A 82 2.590 50.775 26.185 1.00 0.00 C ATOM 1334 O GLU A 82 3.516 51.334 25.599 1.00 0.00 O ATOM 1335 CB GLU A 82 0.675 52.369 26.576 1.00 0.00 C ATOM 1336 CG GLU A 82 1.728 53.475 26.485 1.00 0.00 C ATOM 1337 CD GLU A 82 1.855 53.993 25.050 1.00 0.00 C ATOM 1338 OE1 GLU A 82 0.973 54.721 24.573 1.00 0.00 O ATOM 1339 OE2 GLU A 82 2.920 53.615 24.427 1.00 0.00 O ATOM 0 H GLU A 82 -0.499 50.194 26.775 1.00 0.00 H new ATOM 0 HA GLU A 82 1.077 51.311 24.771 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -0.264 52.720 26.148 1.00 0.00 H new ATOM 0 HB3 GLU A 82 0.480 52.132 27.622 1.00 0.00 H new ATOM 0 HG2 GLU A 82 1.457 54.296 27.149 1.00 0.00 H new ATOM 0 HG3 GLU A 82 2.691 53.094 26.825 1.00 0.00 H new ATOM 1347 N ILE A 83 2.744 49.864 27.136 1.00 0.00 N ATOM 1348 CA ILE A 83 4.068 49.448 27.566 1.00 0.00 C ATOM 1349 C ILE A 83 4.534 48.273 26.704 1.00 0.00 C ATOM 1350 O ILE A 83 5.630 48.303 26.148 1.00 0.00 O ATOM 1351 CB ILE A 83 4.074 49.151 29.067 1.00 0.00 C ATOM 1352 CG1 ILE A 83 3.405 50.281 29.853 1.00 0.00 C ATOM 1353 CG2 ILE A 83 5.494 48.870 29.564 1.00 0.00 C ATOM 1354 CD1 ILE A 83 2.592 49.727 31.024 1.00 0.00 C ATOM 0 H ILE A 83 1.974 49.403 27.620 1.00 0.00 H new ATOM 0 HA ILE A 83 4.787 50.254 27.421 1.00 0.00 H new ATOM 0 HB ILE A 83 3.487 48.249 29.239 1.00 0.00 H new ATOM 0 HG12 ILE A 83 4.164 50.969 30.226 1.00 0.00 H new ATOM 0 HG13 ILE A 83 2.754 50.853 29.192 1.00 0.00 H new ATOM 0 HG21 ILE A 83 5.471 48.662 30.634 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.901 48.008 29.035 1.00 0.00 H new ATOM 0 HG23 ILE A 83 6.124 49.740 29.377 1.00 0.00 H new ATOM 0 HD11 ILE A 83 2.127 50.551 31.566 1.00 0.00 H new ATOM 0 HD12 ILE A 83 1.818 49.059 30.646 1.00 0.00 H new ATOM 0 HD13 ILE A 83 3.250 49.176 31.696 1.00 0.00 H new ATOM 1366 N ILE A 84 3.677 47.265 26.621 1.00 0.00 N ATOM 1367 CA ILE A 84 3.987 46.082 25.836 1.00 0.00 C ATOM 1368 C ILE A 84 4.157 46.479 24.369 1.00 0.00 C ATOM 1369 O ILE A 84 4.841 45.792 23.611 1.00 0.00 O ATOM 1370 CB ILE A 84 2.933 44.998 26.063 1.00 0.00 C ATOM 1371 CG1 ILE A 84 2.834 44.628 27.544 1.00 0.00 C ATOM 1372 CG2 ILE A 84 3.205 43.775 25.184 1.00 0.00 C ATOM 1373 CD1 ILE A 84 2.153 43.271 27.727 1.00 0.00 C ATOM 0 H ILE A 84 2.769 47.243 27.084 1.00 0.00 H new ATOM 0 HA ILE A 84 4.932 45.646 26.159 1.00 0.00 H new ATOM 0 HB ILE A 84 1.964 45.399 25.767 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.831 44.600 27.983 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.273 45.395 28.077 1.00 0.00 H new ATOM 0 HG21 ILE A 84 2.441 43.019 25.365 1.00 0.00 H new ATOM 0 HG22 ILE A 84 3.183 44.069 24.135 1.00 0.00 H new ATOM 0 HG23 ILE A 84 4.185 43.364 25.425 1.00 0.00 H new ATOM 0 HD11 ILE A 84 2.096 43.033 28.789 1.00 0.00 H new ATOM 0 HD12 ILE A 84 1.147 43.309 27.309 1.00 0.00 H new ATOM 0 HD13 ILE A 84 2.730 42.502 27.213 1.00 0.00 H new ATOM 1385 N ASN A 85 3.522 47.586 24.011 1.00 0.00 N ATOM 1386 CA ASN A 85 3.594 48.081 22.647 1.00 0.00 C ATOM 1387 C ASN A 85 5.038 48.474 22.327 1.00 0.00 C ATOM 1388 O ASN A 85 5.486 48.332 21.190 1.00 0.00 O ATOM 1389 CB ASN A 85 2.716 49.322 22.465 1.00 0.00 C ATOM 1390 CG ASN A 85 1.398 48.963 21.776 1.00 0.00 C ATOM 1391 OD1 ASN A 85 0.320 49.338 22.208 1.00 0.00 O ATOM 1392 ND2 ASN A 85 1.544 48.219 20.684 1.00 0.00 N ATOM 0 H ASN A 85 2.956 48.153 24.642 1.00 0.00 H new ATOM 0 HA ASN A 85 3.245 47.291 21.982 1.00 0.00 H new ATOM 0 HB2 ASN A 85 2.512 49.773 23.436 1.00 0.00 H new ATOM 0 HB3 ASN A 85 3.249 50.066 21.873 1.00 0.00 H new ATOM 0 HD21 ASN A 85 0.724 47.927 20.152 1.00 0.00 H new ATOM 0 HD22 ASN A 85 2.476 47.940 20.378 1.00 0.00 H new ATOM 1399 N ILE A 86 5.727 48.959 23.350 1.00 0.00 N ATOM 1400 CA ILE A 86 7.111 49.372 23.192 1.00 0.00 C ATOM 1401 C ILE A 86 7.958 48.161 22.795 1.00 0.00 C ATOM 1402 O ILE A 86 8.905 48.289 22.021 1.00 0.00 O ATOM 1403 CB ILE A 86 7.605 50.081 24.454 1.00 0.00 C ATOM 1404 CG1 ILE A 86 7.067 51.512 24.525 1.00 0.00 C ATOM 1405 CG2 ILE A 86 9.132 50.037 24.545 1.00 0.00 C ATOM 1406 CD1 ILE A 86 6.756 51.909 25.970 1.00 0.00 C ATOM 0 H ILE A 86 5.352 49.075 24.292 1.00 0.00 H new ATOM 0 HA ILE A 86 7.202 50.102 22.388 1.00 0.00 H new ATOM 0 HB ILE A 86 7.215 49.547 25.321 1.00 0.00 H new ATOM 0 HG12 ILE A 86 7.799 52.201 24.104 1.00 0.00 H new ATOM 0 HG13 ILE A 86 6.165 51.596 23.919 1.00 0.00 H new ATOM 0 HG21 ILE A 86 9.457 50.548 25.451 1.00 0.00 H new ATOM 0 HG22 ILE A 86 9.465 49.000 24.574 1.00 0.00 H new ATOM 0 HG23 ILE A 86 9.563 50.532 23.675 1.00 0.00 H new ATOM 0 HD11 ILE A 86 6.375 52.930 25.993 1.00 0.00 H new ATOM 0 HD12 ILE A 86 6.006 51.233 26.380 1.00 0.00 H new ATOM 0 HD13 ILE A 86 7.665 51.847 26.568 1.00 0.00 H new ATOM 1418 N LEU A 87 7.586 47.013 23.342 1.00 0.00 N ATOM 1419 CA LEU A 87 8.299 45.781 23.054 1.00 0.00 C ATOM 1420 C LEU A 87 8.077 45.399 21.589 1.00 0.00 C ATOM 1421 O LEU A 87 9.013 44.991 20.902 1.00 0.00 O ATOM 1422 CB LEU A 87 7.897 44.686 24.044 1.00 0.00 C ATOM 1423 CG LEU A 87 7.985 45.055 25.526 1.00 0.00 C ATOM 1424 CD1 LEU A 87 7.426 43.935 26.404 1.00 0.00 C ATOM 1425 CD2 LEU A 87 9.417 45.427 25.913 1.00 0.00 C ATOM 0 H LEU A 87 6.800 46.911 23.983 1.00 0.00 H new ATOM 0 HA LEU A 87 9.372 45.921 23.188 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.872 44.385 23.825 1.00 0.00 H new ATOM 0 HB3 LEU A 87 8.529 43.816 23.869 1.00 0.00 H new ATOM 0 HG LEU A 87 7.366 45.936 25.697 1.00 0.00 H new ATOM 0 HD11 LEU A 87 7.501 44.223 27.453 1.00 0.00 H new ATOM 0 HD12 LEU A 87 6.381 43.760 26.149 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.998 43.022 26.237 1.00 0.00 H new ATOM 0 HD21 LEU A 87 9.452 45.685 26.971 1.00 0.00 H new ATOM 0 HD22 LEU A 87 10.077 44.580 25.724 1.00 0.00 H new ATOM 0 HD23 LEU A 87 9.744 46.281 25.320 1.00 0.00 H new ATOM 1437 N VAL A 88 6.834 45.543 21.155 1.00 0.00 N ATOM 1438 CA VAL A 88 6.478 45.218 19.785 1.00 0.00 C ATOM 1439 C VAL A 88 7.191 46.180 18.834 1.00 0.00 C ATOM 1440 O VAL A 88 7.832 45.752 17.876 1.00 0.00 O ATOM 1441 CB VAL A 88 4.956 45.234 19.622 1.00 0.00 C ATOM 1442 CG1 VAL A 88 4.564 45.394 18.151 1.00 0.00 C ATOM 1443 CG2 VAL A 88 4.326 43.976 20.223 1.00 0.00 C ATOM 0 H VAL A 88 6.061 45.880 21.728 1.00 0.00 H new ATOM 0 HA VAL A 88 6.808 44.210 19.534 1.00 0.00 H new ATOM 0 HB VAL A 88 4.570 46.095 20.168 1.00 0.00 H new ATOM 0 HG11 VAL A 88 3.478 45.402 18.063 1.00 0.00 H new ATOM 0 HG12 VAL A 88 4.966 46.331 17.767 1.00 0.00 H new ATOM 0 HG13 VAL A 88 4.968 44.562 17.574 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.244 44.013 20.093 1.00 0.00 H new ATOM 0 HG22 VAL A 88 4.722 43.094 19.719 1.00 0.00 H new ATOM 0 HG23 VAL A 88 4.563 43.923 21.286 1.00 0.00 H new ATOM 1453 N LYS A 89 7.056 47.465 19.132 1.00 0.00 N ATOM 1454 CA LYS A 89 7.680 48.492 18.317 1.00 0.00 C ATOM 1455 C LYS A 89 9.201 48.386 18.445 1.00 0.00 C ATOM 1456 O LYS A 89 9.937 48.908 17.610 1.00 0.00 O ATOM 1457 CB LYS A 89 7.127 49.872 18.677 1.00 0.00 C ATOM 1458 CG LYS A 89 6.841 50.694 17.419 1.00 0.00 C ATOM 1459 CD LYS A 89 5.527 50.258 16.766 1.00 0.00 C ATOM 1460 CE LYS A 89 4.325 50.842 17.510 1.00 0.00 C ATOM 1461 NZ LYS A 89 3.098 50.077 17.194 1.00 0.00 N ATOM 0 H LYS A 89 6.523 47.817 19.927 1.00 0.00 H new ATOM 0 HA LYS A 89 7.438 48.342 17.265 1.00 0.00 H new ATOM 0 HB2 LYS A 89 6.212 49.760 19.259 1.00 0.00 H new ATOM 0 HB3 LYS A 89 7.842 50.401 19.307 1.00 0.00 H new ATOM 0 HG2 LYS A 89 6.790 51.752 17.675 1.00 0.00 H new ATOM 0 HG3 LYS A 89 7.660 50.577 16.710 1.00 0.00 H new ATOM 0 HD2 LYS A 89 5.508 50.583 15.726 1.00 0.00 H new ATOM 0 HD3 LYS A 89 5.463 49.170 16.761 1.00 0.00 H new ATOM 0 HE2 LYS A 89 4.508 50.819 18.584 1.00 0.00 H new ATOM 0 HE3 LYS A 89 4.191 51.887 17.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 2.292 50.487 17.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 2.916 50.121 16.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 3.223 49.085 17.481 1.00 0.00 H new ATOM 1474 N ASN A 90 9.628 47.705 19.500 1.00 0.00 N ATOM 1475 CA ASN A 90 11.048 47.525 19.749 1.00 0.00 C ATOM 1476 C ASN A 90 11.573 46.387 18.871 1.00 0.00 C ATOM 1477 O ASN A 90 12.521 46.573 18.109 1.00 0.00 O ATOM 1478 CB ASN A 90 11.307 47.153 21.210 1.00 0.00 C ATOM 1479 CG ASN A 90 12.740 46.655 21.403 1.00 0.00 C ATOM 1480 OD1 ASN A 90 13.631 46.924 20.613 1.00 0.00 O ATOM 1481 ND2 ASN A 90 12.914 45.914 22.494 1.00 0.00 N ATOM 0 H ASN A 90 9.015 47.272 20.191 1.00 0.00 H new ATOM 0 HA ASN A 90 11.554 48.463 19.521 1.00 0.00 H new ATOM 0 HB2 ASN A 90 11.131 48.020 21.846 1.00 0.00 H new ATOM 0 HB3 ASN A 90 10.605 46.380 21.522 1.00 0.00 H new ATOM 0 HD21 ASN A 90 13.835 45.534 22.711 1.00 0.00 H new ATOM 0 HD22 ASN A 90 12.126 45.726 23.114 1.00 0.00 H new