USER MOD reduce.3.24.130724 H: found=0, std=0, add=553, rem=0, adj=10 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 Set 1.1: A 85 ASN : amide:sc= -2.09 K(o=-2.2,f=-0.44) USER MOD Set 1.2: A 89 LYS NZ :NH3+ -125:sc= -0.0861 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HD1:sc= -0.0747 X(o=-0.075,f=-0.075) USER MOD Single : A 23 HIS : no HE2:sc= -0.928 X(o=-0.93,f=-0.56) USER MOD Single : A 26 ASN : amide:sc= -3.02! C(o=-3!,f=-3.6!) USER MOD Single : A 29 GLN : amide:sc= -0.496 X(o=-0.5,f=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.454 X(o=-0.45,f=0) USER MOD Single : A 45 GLN : amide:sc= -0.576 K(o=-0.58,f=-7.2!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 153:sc= -0.107 (180deg=-0.562) USER MOD Single : A 56 THR OG1 : rot 170:sc= -3.69! USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 TYR OH : rot -18:sc= -2.64! 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 -15:sc= -1.66! USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=0.17) USER MOD ----------------------------------------------------------------- ATOM 312 N THR A 21 12.102 36.991 36.558 1.00 0.00 N ATOM 313 CA THR A 21 12.365 38.410 36.726 1.00 0.00 C ATOM 314 C THR A 21 12.693 39.056 35.378 1.00 0.00 C ATOM 315 O THR A 21 12.275 40.180 35.107 1.00 0.00 O ATOM 316 CB THR A 21 13.480 38.565 37.762 1.00 0.00 C ATOM 317 OG1 THR A 21 12.792 38.877 38.970 1.00 0.00 O ATOM 318 CG2 THR A 21 14.354 39.793 37.503 1.00 0.00 C ATOM 0 HA THR A 21 11.484 38.934 37.095 1.00 0.00 H new ATOM 0 HB THR A 21 14.102 37.670 37.761 1.00 0.00 H new ATOM 0 HG1 THR A 21 13.441 38.992 39.695 1.00 0.00 H new ATOM 0 HG21 THR A 21 15.129 39.856 38.267 1.00 0.00 H new ATOM 0 HG22 THR A 21 14.819 39.708 36.521 1.00 0.00 H new ATOM 0 HG23 THR A 21 13.738 40.692 37.537 1.00 0.00 H new ATOM 326 N HIS A 22 13.438 38.317 34.570 1.00 0.00 N ATOM 327 CA HIS A 22 13.828 38.803 33.258 1.00 0.00 C ATOM 328 C HIS A 22 12.577 39.049 32.411 1.00 0.00 C ATOM 329 O HIS A 22 12.477 40.067 31.727 1.00 0.00 O ATOM 330 CB HIS A 22 14.814 37.841 32.593 1.00 0.00 C ATOM 331 CG HIS A 22 15.901 37.342 33.515 1.00 0.00 C ATOM 332 ND1 HIS A 22 15.970 36.029 33.950 1.00 0.00 N ATOM 333 CD2 HIS A 22 16.959 37.991 34.079 1.00 0.00 C ATOM 334 CE1 HIS A 22 17.027 35.906 34.739 1.00 0.00 C ATOM 335 NE2 HIS A 22 17.638 37.123 34.818 1.00 0.00 N ATOM 0 H HIS A 22 13.782 37.384 34.799 1.00 0.00 H new ATOM 0 HA HIS A 22 14.351 39.754 33.358 1.00 0.00 H new ATOM 0 HB2 HIS A 22 14.263 36.986 32.201 1.00 0.00 H new ATOM 0 HB3 HIS A 22 15.275 38.341 31.741 1.00 0.00 H new ATOM 0 HD2 HIS A 22 17.203 39.035 33.947 1.00 0.00 H new ATOM 0 HE1 HIS A 22 17.349 35.001 35.233 1.00 0.00 H new ATOM 0 HE2 HIS A 22 18.479 37.332 35.357 1.00 0.00 H new ATOM 343 N HIS A 23 11.656 38.100 32.483 1.00 0.00 N ATOM 344 CA HIS A 23 10.416 38.202 31.731 1.00 0.00 C ATOM 345 C HIS A 23 9.654 39.455 32.165 1.00 0.00 C ATOM 346 O HIS A 23 9.094 40.166 31.331 1.00 0.00 O ATOM 347 CB HIS A 23 9.588 36.923 31.875 1.00 0.00 C ATOM 348 CG HIS A 23 8.820 36.547 30.630 1.00 0.00 C ATOM 349 ND1 HIS A 23 7.440 36.614 30.551 1.00 0.00 N ATOM 350 CD2 HIS A 23 9.255 36.098 29.418 1.00 0.00 C ATOM 351 CE1 HIS A 23 7.071 36.221 29.341 1.00 0.00 C ATOM 352 NE2 HIS A 23 8.197 35.901 28.640 1.00 0.00 N ATOM 0 H HIS A 23 11.743 37.257 33.050 1.00 0.00 H new ATOM 0 HA HIS A 23 10.637 38.305 30.669 1.00 0.00 H new ATOM 0 HB2 HIS A 23 10.251 36.101 32.143 1.00 0.00 H new ATOM 0 HB3 HIS A 23 8.886 37.047 32.699 1.00 0.00 H new ATOM 0 HD1 HIS A 23 6.813 36.915 31.298 1.00 0.00 H new ATOM 0 HD2 HIS A 23 10.285 35.931 29.138 1.00 0.00 H new ATOM 0 HE1 HIS A 23 6.057 36.164 28.974 1.00 0.00 H new ATOM 360 N TRP A 24 9.657 39.688 33.469 1.00 0.00 N ATOM 361 CA TRP A 24 8.972 40.843 34.024 1.00 0.00 C ATOM 362 C TRP A 24 9.796 42.087 33.688 1.00 0.00 C ATOM 363 O TRP A 24 9.243 43.116 33.299 1.00 0.00 O ATOM 364 CB TRP A 24 8.735 40.671 35.527 1.00 0.00 C ATOM 365 CG TRP A 24 8.185 41.920 36.216 1.00 0.00 C ATOM 366 CD1 TRP A 24 8.676 42.554 37.291 1.00 0.00 C ATOM 367 CD2 TRP A 24 7.010 42.667 35.835 1.00 0.00 C ATOM 368 NE1 TRP A 24 7.907 43.649 37.627 1.00 0.00 N ATOM 369 CE2 TRP A 24 6.862 43.721 36.714 1.00 0.00 C ATOM 370 CE3 TRP A 24 6.102 42.459 34.782 1.00 0.00 C ATOM 371 CZ2 TRP A 24 5.817 44.649 36.630 1.00 0.00 C ATOM 372 CZ3 TRP A 24 5.063 43.395 34.711 1.00 0.00 C ATOM 373 CH2 TRP A 24 4.900 44.460 35.588 1.00 0.00 C ATOM 0 H TRP A 24 10.123 39.097 34.157 1.00 0.00 H new ATOM 0 HA TRP A 24 7.981 40.952 33.584 1.00 0.00 H new ATOM 0 HB2 TRP A 24 8.039 39.846 35.683 1.00 0.00 H new ATOM 0 HB3 TRP A 24 9.674 40.390 36.003 1.00 0.00 H new ATOM 0 HD1 TRP A 24 9.562 42.246 37.826 1.00 0.00 H new ATOM 0 HE1 TRP A 24 8.075 44.289 38.404 1.00 0.00 H new ATOM 0 HE3 TRP A 24 6.198 41.642 34.083 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 5.723 45.466 37.330 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 4.338 43.281 33.919 1.00 0.00 H new ATOM 0 HH2 TRP A 24 4.069 45.140 35.467 1.00 0.00 H new ATOM 384 N LEU A 25 11.104 41.954 33.850 1.00 0.00 N ATOM 385 CA LEU A 25 12.009 43.055 33.567 1.00 0.00 C ATOM 386 C LEU A 25 11.759 43.564 32.146 1.00 0.00 C ATOM 387 O LEU A 25 11.987 44.737 31.854 1.00 0.00 O ATOM 388 CB LEU A 25 13.458 42.637 33.825 1.00 0.00 C ATOM 389 CG LEU A 25 14.450 43.774 34.078 1.00 0.00 C ATOM 390 CD1 LEU A 25 13.836 44.847 34.980 1.00 0.00 C ATOM 391 CD2 LEU A 25 15.768 43.239 34.640 1.00 0.00 C ATOM 0 H LEU A 25 11.559 41.100 34.174 1.00 0.00 H new ATOM 0 HA LEU A 25 11.817 43.889 34.242 1.00 0.00 H new ATOM 0 HB2 LEU A 25 13.475 41.969 34.686 1.00 0.00 H new ATOM 0 HB3 LEU A 25 13.807 42.061 32.968 1.00 0.00 H new ATOM 0 HG LEU A 25 14.677 44.247 33.123 1.00 0.00 H new ATOM 0 HD11 LEU A 25 14.562 45.643 35.144 1.00 0.00 H new ATOM 0 HD12 LEU A 25 12.947 45.259 34.502 1.00 0.00 H new ATOM 0 HD13 LEU A 25 13.561 44.404 35.937 1.00 0.00 H new ATOM 0 HD21 LEU A 25 16.454 44.069 34.810 1.00 0.00 H new ATOM 0 HD22 LEU A 25 15.580 42.725 35.582 1.00 0.00 H new ATOM 0 HD23 LEU A 25 16.211 42.542 33.928 1.00 0.00 H new ATOM 403 N ASN A 26 11.294 42.657 31.301 1.00 0.00 N ATOM 404 CA ASN A 26 11.012 42.999 29.917 1.00 0.00 C ATOM 405 C ASN A 26 9.765 43.883 29.860 1.00 0.00 C ATOM 406 O ASN A 26 9.559 44.610 28.889 1.00 0.00 O ATOM 407 CB ASN A 26 10.740 41.744 29.084 1.00 0.00 C ATOM 408 CG ASN A 26 10.585 42.093 27.602 1.00 0.00 C ATOM 409 OD1 ASN A 26 11.312 42.901 27.048 1.00 0.00 O ATOM 410 ND2 ASN A 26 9.598 41.441 26.994 1.00 0.00 N ATOM 0 H ASN A 26 11.105 41.685 31.547 1.00 0.00 H new ATOM 0 HA ASN A 26 11.881 43.518 29.513 1.00 0.00 H new ATOM 0 HB2 ASN A 26 11.558 41.035 29.211 1.00 0.00 H new ATOM 0 HB3 ASN A 26 9.835 41.254 29.443 1.00 0.00 H new ATOM 0 HD21 ASN A 26 9.412 41.605 26.004 1.00 0.00 H new ATOM 0 HD22 ASN A 26 9.027 40.777 27.517 1.00 0.00 H new ATOM 417 N PHE A 27 8.965 43.793 30.912 1.00 0.00 N ATOM 418 CA PHE A 27 7.744 44.577 30.993 1.00 0.00 C ATOM 419 C PHE A 27 7.946 45.817 31.867 1.00 0.00 C ATOM 420 O PHE A 27 7.379 46.873 31.591 1.00 0.00 O ATOM 421 CB PHE A 27 6.681 43.682 31.635 1.00 0.00 C ATOM 422 CG PHE A 27 5.261 43.943 31.130 1.00 0.00 C ATOM 423 CD1 PHE A 27 4.749 45.203 31.161 1.00 0.00 C ATOM 424 CD2 PHE A 27 4.511 42.916 30.649 1.00 0.00 C ATOM 425 CE1 PHE A 27 3.431 45.444 30.692 1.00 0.00 C ATOM 426 CE2 PHE A 27 3.193 43.158 30.179 1.00 0.00 C ATOM 427 CZ PHE A 27 2.681 44.417 30.211 1.00 0.00 C ATOM 0 H PHE A 27 9.138 43.189 31.716 1.00 0.00 H new ATOM 0 HA PHE A 27 7.449 44.911 29.998 1.00 0.00 H new ATOM 0 HB2 PHE A 27 6.937 42.639 31.447 1.00 0.00 H new ATOM 0 HB3 PHE A 27 6.704 43.826 32.715 1.00 0.00 H new ATOM 0 HD1 PHE A 27 5.345 46.019 31.542 1.00 0.00 H new ATOM 0 HD2 PHE A 27 4.918 41.916 30.624 1.00 0.00 H new ATOM 0 HE1 PHE A 27 3.024 46.444 30.717 1.00 0.00 H new ATOM 0 HE2 PHE A 27 2.598 42.342 29.796 1.00 0.00 H new ATOM 0 HZ PHE A 27 1.678 44.601 29.854 1.00 0.00 H new ATOM 437 N LEU A 28 8.755 45.646 32.903 1.00 0.00 N ATOM 438 CA LEU A 28 9.038 46.738 33.818 1.00 0.00 C ATOM 439 C LEU A 28 9.868 47.802 33.095 1.00 0.00 C ATOM 440 O LEU A 28 9.821 48.978 33.450 1.00 0.00 O ATOM 441 CB LEU A 28 9.694 46.211 35.095 1.00 0.00 C ATOM 442 CG LEU A 28 9.642 47.141 36.309 1.00 0.00 C ATOM 443 CD1 LEU A 28 8.204 47.557 36.621 1.00 0.00 C ATOM 444 CD2 LEU A 28 10.330 46.503 37.518 1.00 0.00 C ATOM 0 H LEU A 28 9.223 44.768 33.128 1.00 0.00 H new ATOM 0 HA LEU A 28 8.112 47.217 34.137 1.00 0.00 H new ATOM 0 HB2 LEU A 28 9.216 45.269 35.363 1.00 0.00 H new ATOM 0 HB3 LEU A 28 10.739 45.988 34.878 1.00 0.00 H new ATOM 0 HG LEU A 28 10.193 48.049 36.067 1.00 0.00 H new ATOM 0 HD11 LEU A 28 8.196 48.218 37.488 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.782 48.080 35.763 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.607 46.670 36.835 1.00 0.00 H new ATOM 0 HD21 LEU A 28 10.279 47.184 38.367 1.00 0.00 H new ATOM 0 HD22 LEU A 28 9.828 45.569 37.771 1.00 0.00 H new ATOM 0 HD23 LEU A 28 11.374 46.300 37.278 1.00 0.00 H new ATOM 456 N GLN A 29 10.609 47.349 32.095 1.00 0.00 N ATOM 457 CA GLN A 29 11.447 48.247 31.318 1.00 0.00 C ATOM 458 C GLN A 29 10.582 49.210 30.503 1.00 0.00 C ATOM 459 O GLN A 29 10.748 50.425 30.593 1.00 0.00 O ATOM 460 CB GLN A 29 12.398 47.463 30.412 1.00 0.00 C ATOM 461 CG GLN A 29 13.853 47.658 30.842 1.00 0.00 C ATOM 462 CD GLN A 29 14.756 46.585 30.230 1.00 0.00 C ATOM 463 OE1 GLN A 29 14.961 46.522 29.030 1.00 0.00 O ATOM 464 NE2 GLN A 29 15.282 45.748 31.120 1.00 0.00 N ATOM 0 H GLN A 29 10.647 46.372 31.805 1.00 0.00 H new ATOM 0 HA GLN A 29 12.055 48.832 32.008 1.00 0.00 H new ATOM 0 HB2 GLN A 29 12.145 46.403 30.444 1.00 0.00 H new ATOM 0 HB3 GLN A 29 12.274 47.789 29.380 1.00 0.00 H new ATOM 0 HG2 GLN A 29 14.197 48.646 30.535 1.00 0.00 H new ATOM 0 HG3 GLN A 29 13.923 47.620 31.929 1.00 0.00 H new ATOM 0 HE21 GLN A 29 15.069 45.858 32.111 1.00 0.00 H new ATOM 0 HE22 GLN A 29 15.899 44.997 30.811 1.00 0.00 H new ATOM 473 N ALA A 30 9.679 48.631 29.726 1.00 0.00 N ATOM 474 CA ALA A 30 8.787 49.422 28.896 1.00 0.00 C ATOM 475 C ALA A 30 8.003 50.395 29.780 1.00 0.00 C ATOM 476 O ALA A 30 7.780 51.543 29.399 1.00 0.00 O ATOM 477 CB ALA A 30 7.872 48.491 28.098 1.00 0.00 C ATOM 0 H ALA A 30 9.546 47.622 29.654 1.00 0.00 H new ATOM 0 HA ALA A 30 9.355 50.014 28.178 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.203 49.085 27.475 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.477 47.842 27.465 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.284 47.882 28.785 1.00 0.00 H new ATOM 483 N ALA A 31 7.606 49.899 30.942 1.00 0.00 N ATOM 484 CA ALA A 31 6.852 50.709 31.883 1.00 0.00 C ATOM 485 C ALA A 31 7.750 51.821 32.427 1.00 0.00 C ATOM 486 O ALA A 31 7.263 52.864 32.860 1.00 0.00 O ATOM 487 CB ALA A 31 6.293 49.816 32.993 1.00 0.00 C ATOM 0 H ALA A 31 7.792 48.946 31.254 1.00 0.00 H new ATOM 0 HA ALA A 31 6.004 51.183 31.387 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.727 50.424 33.699 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.638 49.061 32.558 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.115 49.326 33.514 1.00 0.00 H new ATOM 493 N TYR A 32 9.050 51.561 32.388 1.00 0.00 N ATOM 494 CA TYR A 32 10.022 52.527 32.871 1.00 0.00 C ATOM 495 C TYR A 32 10.370 53.545 31.783 1.00 0.00 C ATOM 496 O TYR A 32 10.982 54.575 32.064 1.00 0.00 O ATOM 497 CB TYR A 32 11.275 51.725 33.222 1.00 0.00 C ATOM 498 CG TYR A 32 11.679 51.814 34.696 1.00 0.00 C ATOM 499 CD1 TYR A 32 11.704 53.039 35.331 1.00 0.00 C ATOM 500 CD2 TYR A 32 12.018 50.670 35.389 1.00 0.00 C ATOM 501 CE1 TYR A 32 12.084 53.124 36.718 1.00 0.00 C ATOM 502 CE2 TYR A 32 12.398 50.755 36.776 1.00 0.00 C ATOM 503 CZ TYR A 32 12.412 51.977 37.371 1.00 0.00 C ATOM 504 OH TYR A 32 12.770 52.057 38.680 1.00 0.00 O ATOM 0 H TYR A 32 9.452 50.695 32.029 1.00 0.00 H new ATOM 0 HA TYR A 32 9.625 53.077 33.725 1.00 0.00 H new ATOM 0 HB2 TYR A 32 11.108 50.679 32.964 1.00 0.00 H new ATOM 0 HB3 TYR A 32 12.103 52.077 32.607 1.00 0.00 H new ATOM 0 HD1 TYR A 32 11.439 53.934 34.788 1.00 0.00 H new ATOM 0 HD2 TYR A 32 11.998 49.711 34.892 1.00 0.00 H new ATOM 0 HE1 TYR A 32 12.108 54.076 37.227 1.00 0.00 H new ATOM 0 HE2 TYR A 32 12.666 49.868 37.331 1.00 0.00 H new ATOM 0 HH TYR A 32 12.977 51.161 39.018 1.00 0.00 H new ATOM 514 N ARG A 33 9.966 53.222 30.563 1.00 0.00 N ATOM 515 CA ARG A 33 10.229 54.094 29.432 1.00 0.00 C ATOM 516 C ARG A 33 9.047 55.040 29.205 1.00 0.00 C ATOM 517 O ARG A 33 9.141 55.978 28.415 1.00 0.00 O ATOM 518 CB ARG A 33 10.478 53.285 28.158 1.00 0.00 C ATOM 519 CG ARG A 33 11.598 53.909 27.322 1.00 0.00 C ATOM 520 CD ARG A 33 11.259 55.350 26.937 1.00 0.00 C ATOM 521 NE ARG A 33 12.176 55.820 25.875 1.00 0.00 N ATOM 522 CZ ARG A 33 12.428 57.120 25.613 1.00 0.00 C ATOM 523 NH1 ARG A 33 11.832 58.093 26.336 1.00 0.00 N ATOM 524 NH2 ARG A 33 13.265 57.427 24.640 1.00 0.00 N ATOM 0 H ARG A 33 9.458 52.368 30.334 1.00 0.00 H new ATOM 0 HA ARG A 33 11.124 54.673 29.661 1.00 0.00 H new ATOM 0 HB2 ARG A 33 10.742 52.260 28.419 1.00 0.00 H new ATOM 0 HB3 ARG A 33 9.562 53.238 27.568 1.00 0.00 H new ATOM 0 HG2 ARG A 33 12.531 53.890 27.885 1.00 0.00 H new ATOM 0 HG3 ARG A 33 11.757 53.316 26.421 1.00 0.00 H new ATOM 0 HD2 ARG A 33 10.227 55.409 26.590 1.00 0.00 H new ATOM 0 HD3 ARG A 33 11.339 55.997 27.811 1.00 0.00 H new ATOM 0 HE ARG A 33 12.647 55.118 25.305 1.00 0.00 H new ATOM 0 HH11 ARG A 33 11.186 57.848 27.086 1.00 0.00 H new ATOM 0 HH12 ARG A 33 12.028 59.073 26.132 1.00 0.00 H new ATOM 0 HH21 ARG A 33 13.711 56.687 24.098 1.00 0.00 H new ATOM 0 HH22 ARG A 33 13.466 58.405 24.430 1.00 0.00 H new ATOM 537 N LEU A 34 7.962 54.759 29.912 1.00 0.00 N ATOM 538 CA LEU A 34 6.764 55.573 29.798 1.00 0.00 C ATOM 539 C LEU A 34 6.781 56.654 30.880 1.00 0.00 C ATOM 540 O LEU A 34 6.839 57.844 30.574 1.00 0.00 O ATOM 541 CB LEU A 34 5.514 54.691 29.829 1.00 0.00 C ATOM 542 CG LEU A 34 5.447 53.584 28.775 1.00 0.00 C ATOM 543 CD1 LEU A 34 4.464 52.488 29.192 1.00 0.00 C ATOM 544 CD2 LEU A 34 5.114 54.160 27.397 1.00 0.00 C ATOM 0 H LEU A 34 7.888 53.979 30.565 1.00 0.00 H new ATOM 0 HA LEU A 34 6.742 56.086 28.836 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.442 54.231 30.815 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.639 55.331 29.711 1.00 0.00 H new ATOM 0 HG LEU A 34 6.431 53.121 28.702 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.436 51.714 28.425 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.786 52.051 30.137 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.469 52.917 29.311 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.072 53.353 26.666 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.148 54.664 27.437 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.884 54.874 27.105 1.00 0.00 H new ATOM 665 N PHE A 43 1.287 50.066 38.447 1.00 0.00 N ATOM 666 CA PHE A 43 1.514 48.633 38.500 1.00 0.00 C ATOM 667 C PHE A 43 0.198 47.875 38.690 1.00 0.00 C ATOM 668 O PHE A 43 0.145 46.659 38.508 1.00 0.00 O ATOM 669 CB PHE A 43 2.420 48.367 39.704 1.00 0.00 C ATOM 670 CG PHE A 43 3.886 48.736 39.474 1.00 0.00 C ATOM 671 CD1 PHE A 43 4.221 50.009 39.129 1.00 0.00 C ATOM 672 CD2 PHE A 43 4.854 47.791 39.613 1.00 0.00 C ATOM 673 CE1 PHE A 43 5.583 50.351 38.916 1.00 0.00 C ATOM 674 CE2 PHE A 43 6.216 48.134 39.399 1.00 0.00 C ATOM 675 CZ PHE A 43 6.551 49.406 39.055 1.00 0.00 C ATOM 0 HA PHE A 43 1.966 48.294 37.568 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.045 48.929 40.559 1.00 0.00 H new ATOM 0 HB3 PHE A 43 2.359 47.311 39.965 1.00 0.00 H new ATOM 0 HD1 PHE A 43 3.452 50.759 39.017 1.00 0.00 H new ATOM 0 HD2 PHE A 43 4.588 46.781 39.886 1.00 0.00 H new ATOM 0 HE1 PHE A 43 5.850 51.361 38.644 1.00 0.00 H new ATOM 0 HE2 PHE A 43 6.985 47.384 39.510 1.00 0.00 H new ATOM 0 HZ PHE A 43 7.586 49.666 38.892 1.00 0.00 H new ATOM 685 N GLN A 44 -0.832 48.624 39.053 1.00 0.00 N ATOM 686 CA GLN A 44 -2.144 48.039 39.269 1.00 0.00 C ATOM 687 C GLN A 44 -2.730 47.545 37.944 1.00 0.00 C ATOM 688 O GLN A 44 -3.097 46.378 37.822 1.00 0.00 O ATOM 689 CB GLN A 44 -3.086 49.038 39.945 1.00 0.00 C ATOM 690 CG GLN A 44 -3.952 48.347 41.000 1.00 0.00 C ATOM 691 CD GLN A 44 -3.290 48.407 42.379 1.00 0.00 C ATOM 692 OE1 GLN A 44 -3.606 49.241 43.211 1.00 0.00 O ATOM 693 NE2 GLN A 44 -2.358 47.478 42.571 1.00 0.00 N ATOM 0 H GLN A 44 -0.785 49.632 39.203 1.00 0.00 H new ATOM 0 HA GLN A 44 -2.033 47.185 39.937 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -2.505 49.834 40.411 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -3.724 49.506 39.195 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -4.931 48.825 41.042 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -4.116 47.307 40.717 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -2.143 46.810 41.831 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -1.858 47.433 43.459 1.00 0.00 H new ATOM 702 N GLN A 45 -2.799 48.458 36.987 1.00 0.00 N ATOM 703 CA GLN A 45 -3.332 48.129 35.676 1.00 0.00 C ATOM 704 C GLN A 45 -2.500 47.023 35.025 1.00 0.00 C ATOM 705 O GLN A 45 -2.943 46.388 34.070 1.00 0.00 O ATOM 706 CB GLN A 45 -3.392 49.369 34.781 1.00 0.00 C ATOM 707 CG GLN A 45 -2.116 50.203 34.914 1.00 0.00 C ATOM 708 CD GLN A 45 -1.635 50.691 33.546 1.00 0.00 C ATOM 709 OE1 GLN A 45 -1.905 51.804 33.126 1.00 0.00 O ATOM 710 NE2 GLN A 45 -0.910 49.799 32.878 1.00 0.00 N ATOM 0 H GLN A 45 -2.495 49.426 37.093 1.00 0.00 H new ATOM 0 HA GLN A 45 -4.351 47.763 35.802 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -3.526 49.066 33.743 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -4.257 49.975 35.051 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -2.302 51.058 35.564 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -1.335 49.607 35.387 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -0.721 48.885 33.289 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -0.542 50.029 31.955 1.00 0.00 H new ATOM 719 N LEU A 46 -1.307 46.826 35.569 1.00 0.00 N ATOM 720 CA LEU A 46 -0.408 45.808 35.053 1.00 0.00 C ATOM 721 C LEU A 46 -0.728 44.468 35.718 1.00 0.00 C ATOM 722 O LEU A 46 -0.997 43.481 35.035 1.00 0.00 O ATOM 723 CB LEU A 46 1.048 46.246 35.220 1.00 0.00 C ATOM 724 CG LEU A 46 1.858 46.389 33.929 1.00 0.00 C ATOM 725 CD1 LEU A 46 3.209 47.053 34.200 1.00 0.00 C ATOM 726 CD2 LEU A 46 2.012 45.040 33.225 1.00 0.00 C ATOM 0 H LEU A 46 -0.943 47.354 36.362 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.556 45.676 33.981 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.061 47.203 35.742 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.552 45.525 35.864 1.00 0.00 H new ATOM 0 HG LEU A 46 1.308 47.043 33.252 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.764 47.142 33.266 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.049 48.045 34.623 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.778 46.446 34.904 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.591 45.171 32.311 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.527 44.342 33.885 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.027 44.645 32.977 1.00 0.00 H new ATOM 738 N ARG A 47 -0.687 44.476 37.042 1.00 0.00 N ATOM 739 CA ARG A 47 -0.969 43.273 37.807 1.00 0.00 C ATOM 740 C ARG A 47 -2.327 42.695 37.404 1.00 0.00 C ATOM 741 O ARG A 47 -2.605 41.523 37.654 1.00 0.00 O ATOM 742 CB ARG A 47 -0.971 43.562 39.309 1.00 0.00 C ATOM 743 CG ARG A 47 -0.566 42.322 40.107 1.00 0.00 C ATOM 744 CD ARG A 47 0.536 42.653 41.116 1.00 0.00 C ATOM 745 NE ARG A 47 0.301 41.922 42.381 1.00 0.00 N ATOM 746 CZ ARG A 47 -0.654 42.251 43.278 1.00 0.00 C ATOM 747 NH1 ARG A 47 -1.471 43.302 43.056 1.00 0.00 N ATOM 748 NH2 ARG A 47 -0.774 41.529 44.376 1.00 0.00 N ATOM 0 H ARG A 47 -0.463 45.297 37.605 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.183 42.550 37.590 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.283 44.379 39.526 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -1.963 43.890 39.618 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -1.435 41.923 40.630 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.219 41.545 39.426 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.509 42.383 40.706 1.00 0.00 H new ATOM 0 HD3 ARG A 47 0.557 43.726 41.305 1.00 0.00 H new ATOM 0 HE ARG A 47 0.897 41.120 42.588 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -1.370 43.855 42.205 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -2.189 43.543 43.739 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -0.151 40.737 44.536 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -1.489 41.763 45.064 1.00 0.00 H new ATOM 761 N ARG A 48 -3.136 43.543 36.787 1.00 0.00 N ATOM 762 CA ARG A 48 -4.459 43.130 36.348 1.00 0.00 C ATOM 763 C ARG A 48 -4.355 42.277 35.082 1.00 0.00 C ATOM 764 O ARG A 48 -5.228 41.455 34.811 1.00 0.00 O ATOM 765 CB ARG A 48 -5.348 44.343 36.066 1.00 0.00 C ATOM 766 CG ARG A 48 -6.824 44.002 36.282 1.00 0.00 C ATOM 767 CD ARG A 48 -7.707 45.233 36.071 1.00 0.00 C ATOM 768 NE ARG A 48 -8.564 45.044 34.878 1.00 0.00 N ATOM 769 CZ ARG A 48 -9.550 45.890 34.513 1.00 0.00 C ATOM 770 NH1 ARG A 48 -9.813 46.993 35.245 1.00 0.00 N ATOM 771 NH2 ARG A 48 -10.253 45.622 33.429 1.00 0.00 N ATOM 0 H ARG A 48 -2.902 44.514 36.580 1.00 0.00 H new ATOM 0 HA ARG A 48 -4.907 42.543 37.150 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -5.062 45.168 36.719 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -5.195 44.680 35.041 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -7.123 43.213 35.592 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -6.968 43.615 37.291 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -8.327 45.401 36.951 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -7.085 46.119 35.945 1.00 0.00 H new ATOM 0 HE ARG A 48 -8.399 44.223 34.296 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -9.265 47.193 36.082 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -10.560 47.627 34.962 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -10.048 44.786 32.882 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -11.002 46.251 33.139 1.00 0.00 H new ATOM 784 N PHE A 49 -3.280 42.502 34.342 1.00 0.00 N ATOM 785 CA PHE A 49 -3.051 41.764 33.111 1.00 0.00 C ATOM 786 C PHE A 49 -2.147 40.554 33.357 1.00 0.00 C ATOM 787 O PHE A 49 -2.339 39.498 32.758 1.00 0.00 O ATOM 788 CB PHE A 49 -2.353 42.718 32.140 1.00 0.00 C ATOM 789 CG PHE A 49 -1.899 42.057 30.837 1.00 0.00 C ATOM 790 CD1 PHE A 49 -2.814 41.480 30.012 1.00 0.00 C ATOM 791 CD2 PHE A 49 -0.581 42.047 30.503 1.00 0.00 C ATOM 792 CE1 PHE A 49 -2.393 40.867 28.803 1.00 0.00 C ATOM 793 CE2 PHE A 49 -0.159 41.434 29.294 1.00 0.00 C ATOM 794 CZ PHE A 49 -1.074 40.856 28.469 1.00 0.00 C ATOM 0 H PHE A 49 -2.558 43.185 34.571 1.00 0.00 H new ATOM 0 HA PHE A 49 -3.999 41.401 32.714 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -3.030 43.538 31.903 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -1.486 43.154 32.636 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -3.861 41.488 30.277 1.00 0.00 H new ATOM 0 HD2 PHE A 49 0.145 42.506 31.158 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -3.120 40.409 28.148 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.888 41.426 29.029 1.00 0.00 H new ATOM 0 HZ PHE A 49 -0.753 40.389 27.550 1.00 0.00 H new ATOM 804 N LEU A 50 -1.179 40.749 34.242 1.00 0.00 N ATOM 805 CA LEU A 50 -0.244 39.687 34.575 1.00 0.00 C ATOM 806 C LEU A 50 -0.966 38.618 35.397 1.00 0.00 C ATOM 807 O LEU A 50 -1.017 37.455 35.000 1.00 0.00 O ATOM 808 CB LEU A 50 0.995 40.262 35.265 1.00 0.00 C ATOM 809 CG LEU A 50 1.774 41.316 34.476 1.00 0.00 C ATOM 810 CD1 LEU A 50 2.553 42.238 35.414 1.00 0.00 C ATOM 811 CD2 LEU A 50 2.682 40.660 33.433 1.00 0.00 C ATOM 0 H LEU A 50 -1.022 41.626 34.738 1.00 0.00 H new ATOM 0 HA LEU A 50 0.120 39.201 33.670 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.687 40.701 36.214 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.671 39.439 35.499 1.00 0.00 H new ATOM 0 HG LEU A 50 1.058 41.936 33.936 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.098 42.978 34.827 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.859 42.746 36.084 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.258 41.649 36.000 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.224 41.431 32.886 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.393 40.001 33.932 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.076 40.080 32.737 1.00 0.00 H new ATOM 823 N LYS A 51 -1.507 39.050 36.526 1.00 0.00 N ATOM 824 CA LYS A 51 -2.223 38.145 37.408 1.00 0.00 C ATOM 825 C LYS A 51 -3.325 37.437 36.618 1.00 0.00 C ATOM 826 O LYS A 51 -3.748 36.340 36.981 1.00 0.00 O ATOM 827 CB LYS A 51 -2.734 38.889 38.643 1.00 0.00 C ATOM 828 CG LYS A 51 -4.151 39.420 38.417 1.00 0.00 C ATOM 829 CD LYS A 51 -4.483 40.538 39.406 1.00 0.00 C ATOM 830 CE LYS A 51 -5.332 40.011 40.565 1.00 0.00 C ATOM 831 NZ LYS A 51 -4.581 40.092 41.838 1.00 0.00 N ATOM 0 H LYS A 51 -1.464 40.016 36.851 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.553 37.373 37.786 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.726 38.220 39.504 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -2.064 39.717 38.876 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.245 39.793 37.397 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.869 38.608 38.527 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.561 40.971 39.794 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -5.019 41.336 38.892 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -6.252 40.590 40.642 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -5.621 38.978 40.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.172 39.730 42.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.715 39.520 41.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.327 41.082 42.029 1.00 0.00 H new ATOM 844 N LEU A 52 -3.760 38.093 35.552 1.00 0.00 N ATOM 845 CA LEU A 52 -4.805 37.540 34.707 1.00 0.00 C ATOM 846 C LEU A 52 -4.253 36.339 33.940 1.00 0.00 C ATOM 847 O LEU A 52 -4.806 35.243 34.013 1.00 0.00 O ATOM 848 CB LEU A 52 -5.397 38.627 33.807 1.00 0.00 C ATOM 849 CG LEU A 52 -6.313 38.140 32.682 1.00 0.00 C ATOM 850 CD1 LEU A 52 -7.246 39.258 32.212 1.00 0.00 C ATOM 851 CD2 LEU A 52 -5.498 37.551 31.528 1.00 0.00 C ATOM 0 H LEU A 52 -3.408 39.003 35.254 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.633 37.176 35.315 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -5.959 39.322 34.431 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -4.576 39.190 33.363 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.941 37.340 33.075 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -7.886 38.886 31.412 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -7.864 39.591 33.046 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.654 40.095 31.842 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.173 37.212 30.742 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.829 38.313 31.129 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.911 36.707 31.891 1.00 0.00 H new ATOM 863 N ALA A 53 -3.168 36.585 33.220 1.00 0.00 N ATOM 864 CA ALA A 53 -2.533 35.536 32.439 1.00 0.00 C ATOM 865 C ALA A 53 -2.195 34.358 33.354 1.00 0.00 C ATOM 866 O ALA A 53 -2.221 33.206 32.925 1.00 0.00 O ATOM 867 CB ALA A 53 -1.298 36.101 31.734 1.00 0.00 C ATOM 0 H ALA A 53 -2.712 37.496 33.161 1.00 0.00 H new ATOM 0 HA ALA A 53 -3.210 35.169 31.667 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.822 35.315 31.148 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.597 36.915 31.073 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.595 36.476 32.477 1.00 0.00 H new ATOM 873 N LEU A 54 -1.886 34.687 34.600 1.00 0.00 N ATOM 874 CA LEU A 54 -1.544 33.671 35.580 1.00 0.00 C ATOM 875 C LEU A 54 -2.747 32.752 35.797 1.00 0.00 C ATOM 876 O LEU A 54 -2.617 31.682 36.390 1.00 0.00 O ATOM 877 CB LEU A 54 -1.025 34.319 36.866 1.00 0.00 C ATOM 878 CG LEU A 54 0.345 33.843 37.351 1.00 0.00 C ATOM 879 CD1 LEU A 54 1.339 33.760 36.191 1.00 0.00 C ATOM 880 CD2 LEU A 54 0.863 34.728 38.486 1.00 0.00 C ATOM 0 H LEU A 54 -1.865 35.644 34.953 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.728 33.048 35.213 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.980 35.397 36.713 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.751 34.139 37.659 1.00 0.00 H new ATOM 0 HG LEU A 54 0.233 32.836 37.753 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.305 33.419 36.563 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.969 33.057 35.445 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.452 34.745 35.737 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.839 34.368 38.812 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.955 35.755 38.133 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.165 34.693 39.322 1.00 0.00 H new ATOM 892 N LYS A 55 -3.892 33.202 35.305 1.00 0.00 N ATOM 893 CA LYS A 55 -5.118 32.433 35.436 1.00 0.00 C ATOM 894 C LYS A 55 -5.077 31.246 34.473 1.00 0.00 C ATOM 895 O LYS A 55 -5.984 30.414 34.468 1.00 0.00 O ATOM 896 CB LYS A 55 -6.339 33.336 35.250 1.00 0.00 C ATOM 897 CG LYS A 55 -7.613 32.643 35.739 1.00 0.00 C ATOM 898 CD LYS A 55 -8.594 33.655 36.334 1.00 0.00 C ATOM 899 CE LYS A 55 -9.610 34.115 35.287 1.00 0.00 C ATOM 900 NZ LYS A 55 -10.499 32.997 34.901 1.00 0.00 N ATOM 0 H LYS A 55 -3.997 34.090 34.815 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.205 32.023 36.442 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.194 34.267 35.798 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.445 33.599 34.197 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.086 32.117 34.910 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.359 31.894 36.489 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -9.116 33.207 37.180 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -8.046 34.516 36.717 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -10.203 34.938 35.685 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -9.089 34.493 34.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -11.414 33.375 34.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -10.060 32.455 34.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -10.649 32.374 35.720 1.00 0.00 H new ATOM 913 N THR A 56 -4.015 31.204 33.680 1.00 0.00 N ATOM 914 CA THR A 56 -3.845 30.133 32.714 1.00 0.00 C ATOM 915 C THR A 56 -2.358 29.872 32.464 1.00 0.00 C ATOM 916 O THR A 56 -1.730 30.560 31.660 1.00 0.00 O ATOM 917 CB THR A 56 -4.616 30.509 31.449 1.00 0.00 C ATOM 918 OG1 THR A 56 -4.515 29.352 30.623 1.00 0.00 O ATOM 919 CG2 THR A 56 -3.920 31.605 30.642 1.00 0.00 C ATOM 0 H THR A 56 -3.265 31.895 33.688 1.00 0.00 H new ATOM 0 HA THR A 56 -4.250 29.194 33.091 1.00 0.00 H new ATOM 0 HB THR A 56 -5.618 30.840 31.721 1.00 0.00 H new ATOM 0 HG1 THR A 56 -5.117 29.444 29.855 1.00 0.00 H new ATOM 0 HG21 THR A 56 -4.510 31.834 29.754 1.00 0.00 H new ATOM 0 HG22 THR A 56 -3.823 32.502 31.254 1.00 0.00 H new ATOM 0 HG23 THR A 56 -2.930 31.262 30.341 1.00 0.00 H new ATOM 927 N PRO A 57 -1.823 28.852 33.188 1.00 0.00 N ATOM 928 CA PRO A 57 -0.421 28.493 33.052 1.00 0.00 C ATOM 929 C PRO A 57 -0.173 27.742 31.742 1.00 0.00 C ATOM 930 O PRO A 57 0.129 26.549 31.753 1.00 0.00 O ATOM 931 CB PRO A 57 -0.108 27.659 34.283 1.00 0.00 C ATOM 932 CG PRO A 57 -1.450 27.194 34.825 1.00 0.00 C ATOM 933 CD PRO A 57 -2.535 28.016 34.149 1.00 0.00 C ATOM 0 HA PRO A 57 0.234 29.363 33.000 1.00 0.00 H new ATOM 0 HB2 PRO A 57 0.526 26.809 34.028 1.00 0.00 H new ATOM 0 HB3 PRO A 57 0.431 28.247 35.026 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -1.595 26.132 34.626 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -1.491 27.324 35.906 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -3.265 27.376 33.653 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -3.081 28.622 34.872 1.00 0.00 H new ATOM 941 N ILE A 58 -0.308 28.471 30.644 1.00 0.00 N ATOM 942 CA ILE A 58 -0.101 27.888 29.329 1.00 0.00 C ATOM 943 C ILE A 58 1.044 28.620 28.626 1.00 0.00 C ATOM 944 O ILE A 58 1.672 28.073 27.721 1.00 0.00 O ATOM 945 CB ILE A 58 -1.408 27.882 28.534 1.00 0.00 C ATOM 946 CG1 ILE A 58 -1.156 28.213 27.061 1.00 0.00 C ATOM 947 CG2 ILE A 58 -2.437 28.824 29.164 1.00 0.00 C ATOM 948 CD1 ILE A 58 -0.304 27.131 26.394 1.00 0.00 C ATOM 0 H ILE A 58 -0.558 29.460 30.638 1.00 0.00 H new ATOM 0 HA ILE A 58 0.196 26.843 29.418 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.826 26.876 28.571 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.108 28.306 26.537 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.653 29.177 26.982 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.357 28.801 28.580 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -2.647 28.503 30.184 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.041 29.839 29.177 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.140 27.390 25.348 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.656 27.058 26.905 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.821 26.173 26.453 1.00 0.00 H new ATOM 960 N TRP A 59 1.280 29.847 29.067 1.00 0.00 N ATOM 961 CA TRP A 59 2.337 30.660 28.492 1.00 0.00 C ATOM 962 C TRP A 59 3.593 30.475 29.346 1.00 0.00 C ATOM 963 O TRP A 59 4.708 30.668 28.866 1.00 0.00 O ATOM 964 CB TRP A 59 1.903 32.122 28.376 1.00 0.00 C ATOM 965 CG TRP A 59 1.174 32.655 29.610 1.00 0.00 C ATOM 966 CD1 TRP A 59 -0.100 32.444 29.971 1.00 0.00 C ATOM 967 CD2 TRP A 59 1.729 33.501 30.639 1.00 0.00 C ATOM 968 NE1 TRP A 59 -0.404 33.090 31.152 1.00 0.00 N ATOM 969 CE2 TRP A 59 0.744 33.752 31.571 1.00 0.00 C ATOM 970 CE3 TRP A 59 3.022 34.036 30.777 1.00 0.00 C ATOM 971 CZ2 TRP A 59 0.947 34.546 32.707 1.00 0.00 C ATOM 972 CZ3 TRP A 59 3.210 34.825 31.918 1.00 0.00 C ATOM 973 CH2 TRP A 59 2.228 35.088 32.866 1.00 0.00 C ATOM 0 H TRP A 59 0.756 30.298 29.817 1.00 0.00 H new ATOM 0 HA TRP A 59 2.558 30.341 27.473 1.00 0.00 H new ATOM 0 HB2 TRP A 59 2.783 32.738 28.193 1.00 0.00 H new ATOM 0 HB3 TRP A 59 1.252 32.229 27.508 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -0.800 31.844 29.408 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -1.305 33.083 31.630 1.00 0.00 H new ATOM 0 HE3 TRP A 59 3.808 33.853 30.059 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 0.158 34.730 33.421 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 4.186 35.260 32.073 1.00 0.00 H new ATOM 0 HH2 TRP A 59 2.452 35.708 33.722 1.00 0.00 H new ATOM 984 N LEU A 60 3.369 30.102 30.598 1.00 0.00 N ATOM 985 CA LEU A 60 4.469 29.890 31.523 1.00 0.00 C ATOM 986 C LEU A 60 5.271 28.664 31.083 1.00 0.00 C ATOM 987 O LEU A 60 6.480 28.751 30.875 1.00 0.00 O ATOM 988 CB LEU A 60 3.951 29.801 32.960 1.00 0.00 C ATOM 989 CG LEU A 60 4.418 30.905 33.912 1.00 0.00 C ATOM 990 CD1 LEU A 60 4.508 32.250 33.188 1.00 0.00 C ATOM 991 CD2 LEU A 60 3.521 30.978 35.149 1.00 0.00 C ATOM 0 H LEU A 60 2.442 29.941 30.993 1.00 0.00 H new ATOM 0 HA LEU A 60 5.150 30.741 31.505 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.861 29.809 32.933 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.253 28.839 33.375 1.00 0.00 H new ATOM 0 HG LEU A 60 5.422 30.657 34.257 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.842 33.017 33.886 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.219 32.174 32.365 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.527 32.518 32.796 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.875 31.770 35.809 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.497 31.191 34.844 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.552 30.025 35.677 1.00 0.00 H new ATOM 1003 N ASN A 61 4.565 27.550 30.951 1.00 0.00 N ATOM 1004 CA ASN A 61 5.196 26.309 30.538 1.00 0.00 C ATOM 1005 C ASN A 61 6.140 26.587 29.366 1.00 0.00 C ATOM 1006 O ASN A 61 7.343 26.351 29.464 1.00 0.00 O ATOM 1007 CB ASN A 61 4.155 25.289 30.074 1.00 0.00 C ATOM 1008 CG ASN A 61 4.144 24.062 30.988 1.00 0.00 C ATOM 1009 OD1 ASN A 61 4.494 22.960 30.596 1.00 0.00 O ATOM 1010 ND2 ASN A 61 3.725 24.312 32.225 1.00 0.00 N ATOM 0 H ASN A 61 3.562 27.482 31.123 1.00 0.00 H new ATOM 0 HA ASN A 61 5.739 25.907 31.393 1.00 0.00 H new ATOM 0 HB2 ASN A 61 3.167 25.750 30.066 1.00 0.00 H new ATOM 0 HB3 ASN A 61 4.372 24.983 29.051 1.00 0.00 H new ATOM 0 HD21 ASN A 61 3.682 23.558 32.911 1.00 0.00 H new ATOM 0 HD22 ASN A 61 3.446 25.257 32.488 1.00 0.00 H new ATOM 1017 N PRO A 62 5.543 27.096 28.256 1.00 0.00 N ATOM 1018 CA PRO A 62 6.317 27.408 27.066 1.00 0.00 C ATOM 1019 C PRO A 62 7.128 28.691 27.260 1.00 0.00 C ATOM 1020 O PRO A 62 8.011 28.999 26.461 1.00 0.00 O ATOM 1021 CB PRO A 62 5.293 27.516 25.948 1.00 0.00 C ATOM 1022 CG PRO A 62 3.950 27.722 26.631 1.00 0.00 C ATOM 1023 CD PRO A 62 4.121 27.387 28.104 1.00 0.00 C ATOM 0 HA PRO A 62 7.060 26.645 26.835 1.00 0.00 H new ATOM 0 HB2 PRO A 62 5.526 28.349 25.285 1.00 0.00 H new ATOM 0 HB3 PRO A 62 5.286 26.614 25.336 1.00 0.00 H new ATOM 0 HG2 PRO A 62 3.614 28.752 26.510 1.00 0.00 H new ATOM 0 HG3 PRO A 62 3.190 27.084 26.180 1.00 0.00 H new ATOM 0 HD2 PRO A 62 3.818 28.221 28.737 1.00 0.00 H new ATOM 0 HD3 PRO A 62 3.509 26.531 28.389 1.00 0.00 H new ATOM 1031 N ILE A 63 6.799 29.405 28.327 1.00 0.00 N ATOM 1032 CA ILE A 63 7.486 30.647 28.637 1.00 0.00 C ATOM 1033 C ILE A 63 7.780 31.400 27.338 1.00 0.00 C ATOM 1034 O ILE A 63 8.836 31.213 26.734 1.00 0.00 O ATOM 1035 CB ILE A 63 8.730 30.375 29.485 1.00 0.00 C ATOM 1036 CG1 ILE A 63 9.398 31.682 29.915 1.00 0.00 C ATOM 1037 CG2 ILE A 63 9.702 29.449 28.751 1.00 0.00 C ATOM 1038 CD1 ILE A 63 8.362 32.682 30.435 1.00 0.00 C ATOM 0 H ILE A 63 6.066 29.147 28.987 1.00 0.00 H new ATOM 0 HA ILE A 63 6.850 31.292 29.244 1.00 0.00 H new ATOM 0 HB ILE A 63 8.418 29.860 30.393 1.00 0.00 H new ATOM 0 HG12 ILE A 63 10.135 31.479 30.692 1.00 0.00 H new ATOM 0 HG13 ILE A 63 9.935 32.115 29.071 1.00 0.00 H new ATOM 0 HG21 ILE A 63 10.578 29.272 29.376 1.00 0.00 H new ATOM 0 HG22 ILE A 63 9.210 28.500 28.538 1.00 0.00 H new ATOM 0 HG23 ILE A 63 10.012 29.915 27.816 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.863 33.603 30.734 1.00 0.00 H new ATOM 0 HD12 ILE A 63 7.640 32.901 29.648 1.00 0.00 H new ATOM 0 HD13 ILE A 63 7.844 32.255 31.294 1.00 0.00 H new ATOM 1050 N ASP A 64 6.829 32.233 26.945 1.00 0.00 N ATOM 1051 CA ASP A 64 6.972 33.015 25.729 1.00 0.00 C ATOM 1052 C ASP A 64 6.044 34.228 25.795 1.00 0.00 C ATOM 1053 O ASP A 64 4.825 34.079 25.865 1.00 0.00 O ATOM 1054 CB ASP A 64 6.589 32.193 24.497 1.00 0.00 C ATOM 1055 CG ASP A 64 7.662 31.213 24.014 1.00 0.00 C ATOM 1056 OD1 ASP A 64 8.812 31.599 23.760 1.00 0.00 O ATOM 1057 OD2 ASP A 64 7.270 29.989 23.901 1.00 0.00 O ATOM 0 H ASP A 64 5.955 32.384 27.448 1.00 0.00 H new ATOM 0 HA ASP A 64 8.014 33.323 25.647 1.00 0.00 H new ATOM 0 HB2 ASP A 64 5.681 31.633 24.720 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.350 32.877 23.683 1.00 0.00 H new ATOM 1063 N TYR A 65 6.655 35.404 25.767 1.00 0.00 N ATOM 1064 CA TYR A 65 5.898 36.643 25.824 1.00 0.00 C ATOM 1065 C TYR A 65 5.015 36.802 24.583 1.00 0.00 C ATOM 1066 O TYR A 65 4.180 37.703 24.523 1.00 0.00 O ATOM 1067 CB TYR A 65 6.933 37.769 25.846 1.00 0.00 C ATOM 1068 CG TYR A 65 6.426 39.067 26.477 1.00 0.00 C ATOM 1069 CD1 TYR A 65 6.419 39.209 27.850 1.00 0.00 C ATOM 1070 CD2 TYR A 65 5.977 40.097 25.674 1.00 0.00 C ATOM 1071 CE1 TYR A 65 5.943 40.432 28.444 1.00 0.00 C ATOM 1072 CE2 TYR A 65 5.501 41.318 26.269 1.00 0.00 C ATOM 1073 CZ TYR A 65 5.507 41.425 27.624 1.00 0.00 C ATOM 1074 OH TYR A 65 5.057 42.580 28.186 1.00 0.00 O ATOM 0 H TYR A 65 7.666 35.525 25.706 1.00 0.00 H new ATOM 0 HA TYR A 65 5.248 36.656 26.699 1.00 0.00 H new ATOM 0 HB2 TYR A 65 7.812 37.430 26.394 1.00 0.00 H new ATOM 0 HB3 TYR A 65 7.253 37.974 24.825 1.00 0.00 H new ATOM 0 HD1 TYR A 65 6.770 38.404 28.478 1.00 0.00 H new ATOM 0 HD2 TYR A 65 5.983 39.986 24.600 1.00 0.00 H new ATOM 0 HE1 TYR A 65 5.933 40.557 29.517 1.00 0.00 H new ATOM 0 HE2 TYR A 65 5.147 42.131 25.653 1.00 0.00 H new ATOM 0 HH TYR A 65 4.848 42.424 29.131 1.00 0.00 H new ATOM 1084 N SER A 66 5.230 35.912 23.626 1.00 0.00 N ATOM 1085 CA SER A 66 4.463 35.942 22.391 1.00 0.00 C ATOM 1086 C SER A 66 3.004 35.581 22.672 1.00 0.00 C ATOM 1087 O SER A 66 2.103 36.029 21.965 1.00 0.00 O ATOM 1088 CB SER A 66 5.056 34.988 21.352 1.00 0.00 C ATOM 1089 OG SER A 66 4.477 33.689 21.430 1.00 0.00 O ATOM 0 H SER A 66 5.923 35.166 23.680 1.00 0.00 H new ATOM 0 HA SER A 66 4.508 36.952 21.985 1.00 0.00 H new ATOM 0 HB2 SER A 66 4.899 35.396 20.354 1.00 0.00 H new ATOM 0 HB3 SER A 66 6.133 34.914 21.500 1.00 0.00 H new ATOM 0 HG SER A 66 4.880 33.110 20.750 1.00 0.00 H new ATOM 1095 N LEU A 67 2.815 34.775 23.707 1.00 0.00 N ATOM 1096 CA LEU A 67 1.480 34.349 24.090 1.00 0.00 C ATOM 1097 C LEU A 67 0.857 35.403 25.007 1.00 0.00 C ATOM 1098 O LEU A 67 -0.361 35.442 25.175 1.00 0.00 O ATOM 1099 CB LEU A 67 1.520 32.948 24.702 1.00 0.00 C ATOM 1100 CG LEU A 67 0.164 32.327 25.045 1.00 0.00 C ATOM 1101 CD1 LEU A 67 0.306 30.833 25.345 1.00 0.00 C ATOM 1102 CD2 LEU A 67 -0.509 33.080 26.194 1.00 0.00 C ATOM 0 H LEU A 67 3.565 34.406 24.292 1.00 0.00 H new ATOM 0 HA LEU A 67 0.839 34.270 23.212 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.036 32.285 24.008 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.120 32.987 25.611 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.485 32.421 24.174 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.672 30.416 25.586 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.713 30.324 24.471 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.978 30.694 26.192 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.471 32.618 26.418 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.127 33.039 27.078 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.664 34.120 25.906 1.00 0.00 H new ATOM 1114 N LEU A 68 1.720 36.232 25.575 1.00 0.00 N ATOM 1115 CA LEU A 68 1.269 37.284 26.471 1.00 0.00 C ATOM 1116 C LEU A 68 0.533 38.355 25.663 1.00 0.00 C ATOM 1117 O LEU A 68 -0.654 38.593 25.878 1.00 0.00 O ATOM 1118 CB LEU A 68 2.440 37.828 27.290 1.00 0.00 C ATOM 1119 CG LEU A 68 2.534 37.335 28.736 1.00 0.00 C ATOM 1120 CD1 LEU A 68 3.541 38.165 29.534 1.00 0.00 C ATOM 1121 CD2 LEU A 68 1.155 37.313 29.398 1.00 0.00 C ATOM 0 H LEU A 68 2.729 36.197 25.432 1.00 0.00 H new ATOM 0 HA LEU A 68 0.559 36.888 27.197 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.367 37.569 26.778 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.375 38.916 27.302 1.00 0.00 H new ATOM 0 HG LEU A 68 2.901 36.309 28.724 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.588 37.794 30.558 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.525 38.084 29.073 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.228 39.209 29.541 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.250 36.959 30.425 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.736 38.319 29.398 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.496 36.645 28.843 1.00 0.00 H new ATOM 1133 N ALA A 69 1.269 38.972 24.749 1.00 0.00 N ATOM 1134 CA ALA A 69 0.701 40.011 23.908 1.00 0.00 C ATOM 1135 C ALA A 69 -0.542 39.469 23.203 1.00 0.00 C ATOM 1136 O ALA A 69 -1.379 40.238 22.733 1.00 0.00 O ATOM 1137 CB ALA A 69 1.762 40.506 22.923 1.00 0.00 C ATOM 0 H ALA A 69 2.254 38.772 24.573 1.00 0.00 H new ATOM 0 HA ALA A 69 0.391 40.865 24.510 1.00 0.00 H new ATOM 0 HB1 ALA A 69 1.336 41.286 22.291 1.00 0.00 H new ATOM 0 HB2 ALA A 69 2.611 40.909 23.475 1.00 0.00 H new ATOM 0 HB3 ALA A 69 2.095 39.676 22.300 1.00 0.00 H new ATOM 1143 N SER A 70 -0.626 38.147 23.152 1.00 0.00 N ATOM 1144 CA SER A 70 -1.753 37.492 22.511 1.00 0.00 C ATOM 1145 C SER A 70 -3.008 37.649 23.374 1.00 0.00 C ATOM 1146 O SER A 70 -4.109 37.815 22.851 1.00 0.00 O ATOM 1147 CB SER A 70 -1.462 36.011 22.264 1.00 0.00 C ATOM 1148 OG SER A 70 -2.652 35.228 22.251 1.00 0.00 O ATOM 0 H SER A 70 0.069 37.512 23.545 1.00 0.00 H new ATOM 0 HA SER A 70 -1.921 37.967 21.545 1.00 0.00 H new ATOM 0 HB2 SER A 70 -0.943 35.897 21.312 1.00 0.00 H new ATOM 0 HB3 SER A 70 -0.792 35.639 23.039 1.00 0.00 H new ATOM 0 HG SER A 70 -2.424 34.289 22.089 1.00 0.00 H new ATOM 1154 N LEU A 71 -2.800 37.590 24.682 1.00 0.00 N ATOM 1155 CA LEU A 71 -3.900 37.723 25.622 1.00 0.00 C ATOM 1156 C LEU A 71 -4.589 39.071 25.405 1.00 0.00 C ATOM 1157 O LEU A 71 -5.817 39.152 25.403 1.00 0.00 O ATOM 1158 CB LEU A 71 -3.410 37.506 27.054 1.00 0.00 C ATOM 1159 CG LEU A 71 -3.909 36.238 27.749 1.00 0.00 C ATOM 1160 CD1 LEU A 71 -2.780 35.216 27.904 1.00 0.00 C ATOM 1161 CD2 LEU A 71 -4.569 36.570 29.089 1.00 0.00 C ATOM 0 H LEU A 71 -1.886 37.452 25.113 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.648 36.950 25.446 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.320 37.486 27.045 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.708 38.366 27.653 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.672 35.782 27.118 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.162 34.324 28.401 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.396 34.947 26.920 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.977 35.648 28.501 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.915 35.651 29.562 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.846 37.063 29.739 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.418 37.234 28.922 1.00 0.00 H new ATOM 1173 N ILE A 72 -3.769 40.098 25.228 1.00 0.00 N ATOM 1174 CA ILE A 72 -4.285 41.439 25.011 1.00 0.00 C ATOM 1175 C ILE A 72 -5.216 41.432 23.797 1.00 0.00 C ATOM 1176 O ILE A 72 -4.778 41.176 22.676 1.00 0.00 O ATOM 1177 CB ILE A 72 -3.136 42.443 24.900 1.00 0.00 C ATOM 1178 CG1 ILE A 72 -2.189 42.326 26.096 1.00 0.00 C ATOM 1179 CG2 ILE A 72 -3.668 43.867 24.727 1.00 0.00 C ATOM 1180 CD1 ILE A 72 -1.149 43.449 26.083 1.00 0.00 C ATOM 0 H ILE A 72 -2.751 40.028 25.231 1.00 0.00 H new ATOM 0 HA ILE A 72 -4.879 41.762 25.866 1.00 0.00 H new ATOM 0 HB ILE A 72 -2.558 42.204 24.007 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.761 42.366 27.023 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.686 41.359 26.073 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.831 44.561 24.651 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -4.270 43.923 23.820 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -4.283 44.133 25.587 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.488 43.343 26.943 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.563 43.391 25.166 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.654 44.414 26.130 1.00 0.00 H new ATOM 1192 N PRO A 73 -6.516 41.726 24.068 1.00 0.00 N ATOM 1193 CA PRO A 73 -7.512 41.756 23.010 1.00 0.00 C ATOM 1194 C PRO A 73 -7.369 43.020 22.158 1.00 0.00 C ATOM 1195 O PRO A 73 -8.352 43.709 21.894 1.00 0.00 O ATOM 1196 CB PRO A 73 -8.850 41.672 23.727 1.00 0.00 C ATOM 1197 CG PRO A 73 -8.574 42.066 25.169 1.00 0.00 C ATOM 1198 CD PRO A 73 -7.070 42.035 25.382 1.00 0.00 C ATOM 0 HA PRO A 73 -7.401 40.933 22.304 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -9.580 42.341 23.272 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -9.262 40.664 23.669 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -8.968 43.061 25.375 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -9.071 41.379 25.854 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.703 42.992 25.751 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -6.790 41.281 26.117 1.00 0.00 H new ATOM 1206 N LYS A 74 -6.136 43.283 21.752 1.00 0.00 N ATOM 1207 CA LYS A 74 -5.850 44.451 20.935 1.00 0.00 C ATOM 1208 C LYS A 74 -6.877 45.545 21.241 1.00 0.00 C ATOM 1209 O LYS A 74 -7.924 45.615 20.600 1.00 0.00 O ATOM 1210 CB LYS A 74 -5.784 44.067 19.456 1.00 0.00 C ATOM 1211 CG LYS A 74 -4.348 44.142 18.934 1.00 0.00 C ATOM 1212 CD LYS A 74 -4.318 44.572 17.466 1.00 0.00 C ATOM 1213 CE LYS A 74 -3.112 43.971 16.742 1.00 0.00 C ATOM 1214 NZ LYS A 74 -1.943 44.873 16.846 1.00 0.00 N ATOM 0 H LYS A 74 -5.323 42.708 21.973 1.00 0.00 H new ATOM 0 HA LYS A 74 -4.868 44.856 21.179 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.172 43.057 19.321 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -6.421 44.733 18.875 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -3.776 44.849 19.535 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -3.867 43.170 19.041 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -5.237 44.256 16.972 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -4.279 45.659 17.403 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -2.869 43.000 17.173 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -3.357 43.803 15.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -1.133 44.450 16.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -2.173 45.791 16.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -1.700 45.013 17.848 1.00 0.00 H new ATOM 1227 N GLY A 75 -6.540 46.370 22.221 1.00 0.00 N ATOM 1228 CA GLY A 75 -7.418 47.457 22.619 1.00 0.00 C ATOM 1229 C GLY A 75 -7.608 47.480 24.137 1.00 0.00 C ATOM 1230 O GLY A 75 -8.286 48.358 24.668 1.00 0.00 O ATOM 0 H GLY A 75 -5.671 46.308 22.751 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -7.000 48.407 22.287 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -8.385 47.346 22.129 1.00 0.00 H new ATOM 1234 N TYR A 76 -6.994 46.506 24.793 1.00 0.00 N ATOM 1235 CA TYR A 76 -7.087 46.403 26.240 1.00 0.00 C ATOM 1236 C TYR A 76 -7.030 47.787 26.892 1.00 0.00 C ATOM 1237 O TYR A 76 -6.485 48.727 26.315 1.00 0.00 O ATOM 1238 CB TYR A 76 -5.867 45.593 26.684 1.00 0.00 C ATOM 1239 CG TYR A 76 -6.149 44.628 27.837 1.00 0.00 C ATOM 1240 CD1 TYR A 76 -7.307 43.877 27.842 1.00 0.00 C ATOM 1241 CD2 TYR A 76 -5.244 44.507 28.872 1.00 0.00 C ATOM 1242 CE1 TYR A 76 -7.571 42.968 28.926 1.00 0.00 C ATOM 1243 CE2 TYR A 76 -5.508 43.597 29.957 1.00 0.00 C ATOM 1244 CZ TYR A 76 -6.658 42.873 29.931 1.00 0.00 C ATOM 1245 OH TYR A 76 -6.908 42.014 30.956 1.00 0.00 O ATOM 0 H TYR A 76 -6.430 45.781 24.349 1.00 0.00 H new ATOM 0 HA TYR A 76 -8.028 45.937 26.533 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -5.490 45.026 25.833 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -5.076 46.281 26.984 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -8.015 43.972 27.032 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -4.338 45.095 28.868 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -8.473 42.375 28.942 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -4.808 43.492 30.773 1.00 0.00 H new ATOM 0 HH TYR A 76 -7.851 41.748 30.937 1.00 0.00 H new ATOM 1255 N PRO A 77 -7.616 47.869 28.116 1.00 0.00 N ATOM 1256 CA PRO A 77 -7.637 49.122 28.853 1.00 0.00 C ATOM 1257 C PRO A 77 -6.264 49.429 29.451 1.00 0.00 C ATOM 1258 O PRO A 77 -5.275 48.779 29.112 1.00 0.00 O ATOM 1259 CB PRO A 77 -8.717 48.940 29.907 1.00 0.00 C ATOM 1260 CG PRO A 77 -8.937 47.441 30.024 1.00 0.00 C ATOM 1261 CD PRO A 77 -8.272 46.777 28.829 1.00 0.00 C ATOM 0 HA PRO A 77 -7.859 49.980 28.218 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -8.407 49.365 30.862 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -9.636 49.448 29.616 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -8.513 47.065 30.955 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -10.002 47.212 30.044 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -7.552 46.022 29.145 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -9.004 46.275 28.197 1.00 0.00 H new ATOM 1269 N GLY A 78 -6.245 50.420 30.331 1.00 0.00 N ATOM 1270 CA GLY A 78 -5.009 50.822 30.979 1.00 0.00 C ATOM 1271 C GLY A 78 -3.891 51.021 29.954 1.00 0.00 C ATOM 1272 O GLY A 78 -4.131 50.963 28.749 1.00 0.00 O ATOM 0 H GLY A 78 -7.067 50.956 30.610 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -5.169 51.748 31.532 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -4.712 50.065 31.704 1.00 0.00 H new ATOM 1276 N ARG A 79 -2.692 51.251 30.470 1.00 0.00 N ATOM 1277 CA ARG A 79 -1.537 51.460 29.614 1.00 0.00 C ATOM 1278 C ARG A 79 -0.690 50.187 29.546 1.00 0.00 C ATOM 1279 O ARG A 79 0.495 50.242 29.225 1.00 0.00 O ATOM 1280 CB ARG A 79 -0.671 52.611 30.128 1.00 0.00 C ATOM 1281 CG ARG A 79 -0.711 53.799 29.164 1.00 0.00 C ATOM 1282 CD ARG A 79 -0.925 55.113 29.920 1.00 0.00 C ATOM 1283 NE ARG A 79 0.257 55.410 30.761 1.00 0.00 N ATOM 1284 CZ ARG A 79 0.222 56.179 31.870 1.00 0.00 C ATOM 1285 NH1 ARG A 79 -0.938 56.735 32.282 1.00 0.00 N ATOM 1286 NH2 ARG A 79 1.337 56.378 32.546 1.00 0.00 N ATOM 0 H ARG A 79 -2.496 51.297 31.470 1.00 0.00 H new ATOM 0 HA ARG A 79 -1.904 51.712 28.619 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -1.022 52.924 31.111 1.00 0.00 H new ATOM 0 HB3 ARG A 79 0.357 52.271 30.250 1.00 0.00 H new ATOM 0 HG2 ARG A 79 0.221 53.847 28.601 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -1.513 53.657 28.440 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -1.093 55.926 29.213 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -1.817 55.043 30.543 1.00 0.00 H new ATOM 0 HE ARG A 79 1.153 55.009 30.485 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -1.796 56.575 31.754 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -0.956 57.315 33.121 1.00 0.00 H new ATOM 0 HH21 ARG A 79 2.208 55.953 32.229 1.00 0.00 H new ATOM 0 HH22 ARG A 79 1.328 56.956 33.386 1.00 0.00 H new ATOM 1299 N VAL A 80 -1.334 49.070 29.854 1.00 0.00 N ATOM 1300 CA VAL A 80 -0.655 47.785 29.831 1.00 0.00 C ATOM 1301 C VAL A 80 -0.106 47.528 28.426 1.00 0.00 C ATOM 1302 O VAL A 80 1.028 47.076 28.272 1.00 0.00 O ATOM 1303 CB VAL A 80 -1.602 46.685 30.314 1.00 0.00 C ATOM 1304 CG1 VAL A 80 -1.758 45.592 29.254 1.00 0.00 C ATOM 1305 CG2 VAL A 80 -1.125 46.095 31.643 1.00 0.00 C ATOM 0 H VAL A 80 -2.318 49.028 30.121 1.00 0.00 H new ATOM 0 HA VAL A 80 0.193 47.788 30.515 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.581 47.135 30.479 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.436 44.822 29.622 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.164 46.026 28.340 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.785 45.148 29.043 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -1.816 45.315 31.964 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -0.130 45.668 31.515 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.089 46.881 32.398 1.00 0.00 H new ATOM 1315 N VAL A 81 -0.936 47.826 27.437 1.00 0.00 N ATOM 1316 CA VAL A 81 -0.548 47.633 26.050 1.00 0.00 C ATOM 1317 C VAL A 81 0.532 48.651 25.681 1.00 0.00 C ATOM 1318 O VAL A 81 1.486 48.322 24.977 1.00 0.00 O ATOM 1319 CB VAL A 81 -1.780 47.712 25.147 1.00 0.00 C ATOM 1320 CG1 VAL A 81 -1.476 47.152 23.756 1.00 0.00 C ATOM 1321 CG2 VAL A 81 -2.972 46.993 25.780 1.00 0.00 C ATOM 0 H VAL A 81 -1.876 48.200 27.569 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.120 46.641 25.907 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.046 48.763 25.034 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.368 47.220 23.134 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -0.671 47.728 23.300 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -1.172 46.109 23.842 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -3.834 47.065 25.117 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -2.722 45.944 25.938 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.211 47.457 26.737 1.00 0.00 H new ATOM 1331 N GLU A 82 0.346 49.868 26.172 1.00 0.00 N ATOM 1332 CA GLU A 82 1.293 50.936 25.902 1.00 0.00 C ATOM 1333 C GLU A 82 2.702 50.517 26.328 1.00 0.00 C ATOM 1334 O GLU A 82 3.690 51.018 25.792 1.00 0.00 O ATOM 1335 CB GLU A 82 0.872 52.231 26.600 1.00 0.00 C ATOM 1336 CG GLU A 82 1.468 53.452 25.895 1.00 0.00 C ATOM 1337 CD GLU A 82 0.629 53.845 24.677 1.00 0.00 C ATOM 1338 OE1 GLU A 82 1.166 53.956 23.565 1.00 0.00 O ATOM 1339 OE2 GLU A 82 -0.623 54.037 24.915 1.00 0.00 O ATOM 0 H GLU A 82 -0.446 50.138 26.755 1.00 0.00 H new ATOM 0 HA GLU A 82 1.300 51.126 24.829 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -0.215 52.307 26.609 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.199 52.211 27.640 1.00 0.00 H new ATOM 0 HG2 GLU A 82 1.520 54.289 26.591 1.00 0.00 H new ATOM 0 HG3 GLU A 82 2.489 53.234 25.583 1.00 0.00 H new ATOM 1347 N ILE A 83 2.750 49.605 27.287 1.00 0.00 N ATOM 1348 CA ILE A 83 4.020 49.113 27.790 1.00 0.00 C ATOM 1349 C ILE A 83 4.512 47.974 26.895 1.00 0.00 C ATOM 1350 O ILE A 83 5.624 48.025 26.373 1.00 0.00 O ATOM 1351 CB ILE A 83 3.900 48.727 29.266 1.00 0.00 C ATOM 1352 CG1 ILE A 83 3.288 49.868 30.082 1.00 0.00 C ATOM 1353 CG2 ILE A 83 5.250 48.281 29.829 1.00 0.00 C ATOM 1354 CD1 ILE A 83 2.446 49.325 31.238 1.00 0.00 C ATOM 0 H ILE A 83 1.928 49.193 27.729 1.00 0.00 H new ATOM 0 HA ILE A 83 4.774 49.899 27.751 1.00 0.00 H new ATOM 0 HB ILE A 83 3.223 47.876 29.342 1.00 0.00 H new ATOM 0 HG12 ILE A 83 4.081 50.506 30.473 1.00 0.00 H new ATOM 0 HG13 ILE A 83 2.668 50.490 29.436 1.00 0.00 H new ATOM 0 HG21 ILE A 83 5.135 48.013 30.879 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.609 47.417 29.271 1.00 0.00 H new ATOM 0 HG23 ILE A 83 5.969 49.095 29.739 1.00 0.00 H new ATOM 0 HD11 ILE A 83 2.023 50.156 31.802 1.00 0.00 H new ATOM 0 HD12 ILE A 83 1.640 48.707 30.842 1.00 0.00 H new ATOM 0 HD13 ILE A 83 3.075 48.724 31.895 1.00 0.00 H new ATOM 1366 N ILE A 84 3.659 46.971 26.746 1.00 0.00 N ATOM 1367 CA ILE A 84 3.993 45.821 25.923 1.00 0.00 C ATOM 1368 C ILE A 84 4.286 46.288 24.496 1.00 0.00 C ATOM 1369 O ILE A 84 5.072 45.665 23.784 1.00 0.00 O ATOM 1370 CB ILE A 84 2.891 44.762 26.010 1.00 0.00 C ATOM 1371 CG1 ILE A 84 2.608 44.384 27.466 1.00 0.00 C ATOM 1372 CG2 ILE A 84 3.237 43.540 25.157 1.00 0.00 C ATOM 1373 CD1 ILE A 84 1.670 43.178 27.546 1.00 0.00 C ATOM 0 H ILE A 84 2.737 46.931 27.181 1.00 0.00 H new ATOM 0 HA ILE A 84 4.898 45.338 26.292 1.00 0.00 H new ATOM 0 HB ILE A 84 1.974 45.189 25.604 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.544 44.155 27.975 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.162 45.232 27.986 1.00 0.00 H new ATOM 0 HG21 ILE A 84 2.438 42.803 25.236 1.00 0.00 H new ATOM 0 HG22 ILE A 84 3.349 43.843 24.116 1.00 0.00 H new ATOM 0 HG23 ILE A 84 4.171 43.102 25.510 1.00 0.00 H new ATOM 0 HD11 ILE A 84 1.485 42.930 28.591 1.00 0.00 H new ATOM 0 HD12 ILE A 84 0.726 43.418 27.057 1.00 0.00 H new ATOM 0 HD13 ILE A 84 2.130 42.325 27.047 1.00 0.00 H new ATOM 1385 N ASN A 85 3.637 47.380 24.120 1.00 0.00 N ATOM 1386 CA ASN A 85 3.818 47.937 22.790 1.00 0.00 C ATOM 1387 C ASN A 85 5.292 48.297 22.588 1.00 0.00 C ATOM 1388 O ASN A 85 5.820 48.170 21.485 1.00 0.00 O ATOM 1389 CB ASN A 85 2.992 49.213 22.610 1.00 0.00 C ATOM 1390 CG ASN A 85 3.061 49.711 21.165 1.00 0.00 C ATOM 1391 OD1 ASN A 85 2.126 49.579 20.391 1.00 0.00 O ATOM 1392 ND2 ASN A 85 4.215 50.289 20.847 1.00 0.00 N ATOM 0 H ASN A 85 2.985 47.894 24.713 1.00 0.00 H new ATOM 0 HA ASN A 85 3.493 47.191 22.065 1.00 0.00 H new ATOM 0 HB2 ASN A 85 1.954 49.020 22.883 1.00 0.00 H new ATOM 0 HB3 ASN A 85 3.360 49.987 23.283 1.00 0.00 H new ATOM 0 HD21 ASN A 85 4.360 50.655 19.906 1.00 0.00 H new ATOM 0 HD22 ASN A 85 4.956 50.366 21.544 1.00 0.00 H new ATOM 1399 N ILE A 86 5.914 48.737 23.672 1.00 0.00 N ATOM 1400 CA ILE A 86 7.316 49.115 23.628 1.00 0.00 C ATOM 1401 C ILE A 86 8.161 47.885 23.291 1.00 0.00 C ATOM 1402 O ILE A 86 9.226 48.006 22.687 1.00 0.00 O ATOM 1403 CB ILE A 86 7.725 49.806 24.931 1.00 0.00 C ATOM 1404 CG1 ILE A 86 7.150 51.221 25.007 1.00 0.00 C ATOM 1405 CG2 ILE A 86 9.247 49.795 25.102 1.00 0.00 C ATOM 1406 CD1 ILE A 86 6.913 51.640 26.459 1.00 0.00 C ATOM 0 H ILE A 86 5.473 48.840 24.586 1.00 0.00 H new ATOM 0 HA ILE A 86 7.490 49.846 22.839 1.00 0.00 H new ATOM 0 HB ILE A 86 7.302 49.243 25.763 1.00 0.00 H new ATOM 0 HG12 ILE A 86 7.835 51.922 24.530 1.00 0.00 H new ATOM 0 HG13 ILE A 86 6.212 51.266 24.454 1.00 0.00 H new ATOM 0 HG21 ILE A 86 9.512 50.292 26.035 1.00 0.00 H new ATOM 0 HG22 ILE A 86 9.603 48.765 25.126 1.00 0.00 H new ATOM 0 HG23 ILE A 86 9.711 50.320 24.267 1.00 0.00 H new ATOM 0 HD11 ILE A 86 6.504 52.650 26.484 1.00 0.00 H new ATOM 0 HD12 ILE A 86 6.209 50.952 26.926 1.00 0.00 H new ATOM 0 HD13 ILE A 86 7.857 51.617 27.003 1.00 0.00 H new ATOM 1418 N LEU A 87 7.655 46.730 23.698 1.00 0.00 N ATOM 1419 CA LEU A 87 8.350 45.479 23.446 1.00 0.00 C ATOM 1420 C LEU A 87 8.149 45.074 21.985 1.00 0.00 C ATOM 1421 O LEU A 87 9.101 44.692 21.306 1.00 0.00 O ATOM 1422 CB LEU A 87 7.909 44.410 24.447 1.00 0.00 C ATOM 1423 CG LEU A 87 7.842 44.850 25.912 1.00 0.00 C ATOM 1424 CD1 LEU A 87 7.257 43.742 26.790 1.00 0.00 C ATOM 1425 CD2 LEU A 87 9.213 45.313 26.409 1.00 0.00 C ATOM 0 H LEU A 87 6.772 46.634 24.200 1.00 0.00 H new ATOM 0 HA LEU A 87 9.422 45.602 23.598 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.924 44.048 24.152 1.00 0.00 H new ATOM 0 HB3 LEU A 87 8.595 43.566 24.373 1.00 0.00 H new ATOM 0 HG LEU A 87 7.170 45.705 25.982 1.00 0.00 H new ATOM 0 HD11 LEU A 87 7.220 44.080 27.826 1.00 0.00 H new ATOM 0 HD12 LEU A 87 6.249 43.503 26.450 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.884 42.853 26.720 1.00 0.00 H new ATOM 0 HD21 LEU A 87 9.137 45.620 27.452 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.927 44.494 26.323 1.00 0.00 H new ATOM 0 HD23 LEU A 87 9.553 46.155 25.807 1.00 0.00 H new ATOM 1437 N VAL A 88 6.904 45.170 21.543 1.00 0.00 N ATOM 1438 CA VAL A 88 6.565 44.818 20.175 1.00 0.00 C ATOM 1439 C VAL A 88 7.282 45.770 19.215 1.00 0.00 C ATOM 1440 O VAL A 88 7.927 45.329 18.265 1.00 0.00 O ATOM 1441 CB VAL A 88 5.046 44.819 19.994 1.00 0.00 C ATOM 1442 CG1 VAL A 88 4.669 44.954 18.518 1.00 0.00 C ATOM 1443 CG2 VAL A 88 4.419 43.565 20.607 1.00 0.00 C ATOM 0 H VAL A 88 6.117 45.487 22.109 1.00 0.00 H new ATOM 0 HA VAL A 88 6.905 43.808 19.946 1.00 0.00 H new ATOM 0 HB VAL A 88 4.647 45.685 20.522 1.00 0.00 H new ATOM 0 HG11 VAL A 88 3.584 44.952 18.418 1.00 0.00 H new ATOM 0 HG12 VAL A 88 5.068 45.889 18.125 1.00 0.00 H new ATOM 0 HG13 VAL A 88 5.087 44.117 17.958 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.339 43.591 20.464 1.00 0.00 H new ATOM 0 HG22 VAL A 88 4.828 42.679 20.121 1.00 0.00 H new ATOM 0 HG23 VAL A 88 4.643 43.530 21.673 1.00 0.00 H new ATOM 1453 N LYS A 89 7.145 47.057 19.497 1.00 0.00 N ATOM 1454 CA LYS A 89 7.771 48.075 18.671 1.00 0.00 C ATOM 1455 C LYS A 89 9.275 47.807 18.592 1.00 0.00 C ATOM 1456 O LYS A 89 9.950 48.298 17.688 1.00 0.00 O ATOM 1457 CB LYS A 89 7.422 49.473 19.186 1.00 0.00 C ATOM 1458 CG LYS A 89 7.278 50.463 18.029 1.00 0.00 C ATOM 1459 CD LYS A 89 7.365 51.907 18.529 1.00 0.00 C ATOM 1460 CE LYS A 89 6.172 52.730 18.040 1.00 0.00 C ATOM 1461 NZ LYS A 89 5.168 52.878 19.117 1.00 0.00 N ATOM 0 H LYS A 89 6.609 47.418 20.286 1.00 0.00 H new ATOM 0 HA LYS A 89 7.384 48.030 17.653 1.00 0.00 H new ATOM 0 HB2 LYS A 89 6.492 49.434 19.754 1.00 0.00 H new ATOM 0 HB3 LYS A 89 8.198 49.817 19.869 1.00 0.00 H new ATOM 0 HG2 LYS A 89 8.060 50.282 17.291 1.00 0.00 H new ATOM 0 HG3 LYS A 89 6.323 50.305 17.527 1.00 0.00 H new ATOM 0 HD2 LYS A 89 7.396 51.917 19.619 1.00 0.00 H new ATOM 0 HD3 LYS A 89 8.292 52.361 18.180 1.00 0.00 H new ATOM 0 HE2 LYS A 89 6.511 53.713 17.713 1.00 0.00 H new ATOM 0 HE3 LYS A 89 5.718 52.245 17.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 4.244 52.542 18.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 5.459 52.317 19.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 5.094 53.879 19.388 1.00 0.00 H new ATOM 1474 N ASN A 90 9.757 47.028 19.550 1.00 0.00 N ATOM 1475 CA ASN A 90 11.168 46.688 19.599 1.00 0.00 C ATOM 1476 C ASN A 90 11.406 45.395 18.818 1.00 0.00 C ATOM 1477 O ASN A 90 12.430 44.737 18.994 1.00 0.00 O ATOM 1478 CB ASN A 90 11.630 46.461 21.041 1.00 0.00 C ATOM 1479 CG ASN A 90 13.077 46.919 21.231 1.00 0.00 C ATOM 1480 OD1 ASN A 90 14.024 46.214 20.926 1.00 0.00 O ATOM 1481 ND2 ASN A 90 13.194 48.137 21.753 1.00 0.00 N ATOM 0 H ASN A 90 9.195 46.623 20.298 1.00 0.00 H new ATOM 0 HA ASN A 90 11.729 47.516 19.166 1.00 0.00 H new ATOM 0 HB2 ASN A 90 10.979 47.006 21.725 1.00 0.00 H new ATOM 0 HB3 ASN A 90 11.543 45.404 21.292 1.00 0.00 H new ATOM 0 HD21 ASN A 90 14.119 48.533 21.920 1.00 0.00 H new ATOM 0 HD22 ASN A 90 12.359 48.674 21.986 1.00 0.00 H new