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 44 GLN : amide:sc= -1.1 K(o=-2.3,f=-4.5!) USER MOD Set 1.2: A 45 GLN : amide:sc= -1.23 K(o=-2.3,f=-4.8!) USER MOD Single : A 21 THR OG1 : rot 33:sc= 0.744 USER MOD Single : A 22 HIS : no HE2:sc= -5.11! C(o=-5.1!,f=-7.7!) USER MOD Single : A 23 HIS : no HE2:sc= -4.55! C(o=-4.5!,f=-7.9!) USER MOD Single : A 26 ASN : amide:sc= -4.29! C(o=-4.3!,f=-8.2!) USER MOD Single : A 29 GLN : amide:sc= -2.08 K(o=-2.1,f=-0.36) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -158:sc= -0.0406 (180deg=-0.367) USER MOD Single : A 56 THR OG1 : rot 170:sc= -3.75! USER MOD Single : A 61 ASN : amide:sc= -0.0254 X(o=-0.025,f=0) USER MOD Single : A 65 TYR OH : rot 136:sc= -3.11! USER MOD Single : A 66 SER OG : rot -125:sc= 1.25 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 180:sc= -1.06 USER MOD Single : A 85 ASN : amide:sc=-0.000488 X(o=-0.00049,f=-0.16) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc=-0.000231 X(o=-0.00023,f=0) USER MOD ----------------------------------------------------------------- ATOM 312 N THR A 21 12.676 36.939 36.133 1.00 0.00 N ATOM 313 CA THR A 21 13.321 38.057 35.466 1.00 0.00 C ATOM 314 C THR A 21 13.613 37.711 34.004 1.00 0.00 C ATOM 315 O THR A 21 13.570 36.543 33.619 1.00 0.00 O ATOM 316 CB THR A 21 14.575 38.423 36.264 1.00 0.00 C ATOM 317 OG1 THR A 21 14.154 38.350 37.624 1.00 0.00 O ATOM 318 CG2 THR A 21 14.979 39.888 36.079 1.00 0.00 C ATOM 0 HA THR A 21 12.668 38.929 35.437 1.00 0.00 H new ATOM 0 HB THR A 21 15.399 37.777 35.962 1.00 0.00 H new ATOM 0 HG1 THR A 21 13.479 37.646 37.720 1.00 0.00 H new ATOM 0 HG21 THR A 21 15.874 40.096 36.666 1.00 0.00 H new ATOM 0 HG22 THR A 21 15.184 40.079 35.026 1.00 0.00 H new ATOM 0 HG23 THR A 21 14.168 40.534 36.414 1.00 0.00 H new ATOM 326 N HIS A 22 13.902 38.747 33.231 1.00 0.00 N ATOM 327 CA HIS A 22 14.200 38.566 31.820 1.00 0.00 C ATOM 328 C HIS A 22 12.901 38.610 31.012 1.00 0.00 C ATOM 329 O HIS A 22 12.931 38.759 29.791 1.00 0.00 O ATOM 330 CB HIS A 22 14.996 37.281 31.593 1.00 0.00 C ATOM 331 CG HIS A 22 14.160 36.115 31.124 1.00 0.00 C ATOM 332 ND1 HIS A 22 13.452 36.130 29.934 1.00 0.00 N ATOM 333 CD2 HIS A 22 13.925 34.898 31.696 1.00 0.00 C ATOM 334 CE1 HIS A 22 12.824 34.970 29.807 1.00 0.00 C ATOM 335 NE2 HIS A 22 13.117 34.209 30.900 1.00 0.00 N ATOM 0 H HIS A 22 13.936 39.714 33.554 1.00 0.00 H new ATOM 0 HA HIS A 22 14.833 39.382 31.471 1.00 0.00 H new ATOM 0 HB2 HIS A 22 15.776 37.475 30.857 1.00 0.00 H new ATOM 0 HB3 HIS A 22 15.495 37.006 32.522 1.00 0.00 H new ATOM 0 HD1 HIS A 22 13.419 36.902 29.269 1.00 0.00 H new ATOM 0 HD2 HIS A 22 14.328 34.554 32.637 1.00 0.00 H new ATOM 0 HE1 HIS A 22 12.191 34.678 28.982 1.00 0.00 H new ATOM 343 N HIS A 23 11.793 38.480 31.726 1.00 0.00 N ATOM 344 CA HIS A 23 10.487 38.503 31.090 1.00 0.00 C ATOM 345 C HIS A 23 9.664 39.667 31.649 1.00 0.00 C ATOM 346 O HIS A 23 9.129 40.473 30.890 1.00 0.00 O ATOM 347 CB HIS A 23 9.783 37.153 31.245 1.00 0.00 C ATOM 348 CG HIS A 23 9.072 36.685 29.998 1.00 0.00 C ATOM 349 ND1 HIS A 23 7.707 36.463 29.951 1.00 0.00 N ATOM 350 CD2 HIS A 23 9.551 36.399 28.753 1.00 0.00 C ATOM 351 CE1 HIS A 23 7.389 36.062 28.729 1.00 0.00 C ATOM 352 NE2 HIS A 23 8.534 36.023 27.988 1.00 0.00 N ATOM 0 H HIS A 23 11.773 38.358 32.739 1.00 0.00 H new ATOM 0 HA HIS A 23 10.604 38.666 30.019 1.00 0.00 H new ATOM 0 HB2 HIS A 23 10.518 36.402 31.535 1.00 0.00 H new ATOM 0 HB3 HIS A 23 9.061 37.223 32.058 1.00 0.00 H new ATOM 0 HD1 HIS A 23 7.056 36.587 30.726 1.00 0.00 H new ATOM 0 HD2 HIS A 23 10.583 36.467 28.443 1.00 0.00 H new ATOM 0 HE1 HIS A 23 6.398 35.810 28.381 1.00 0.00 H new ATOM 360 N TRP A 24 9.591 39.716 32.970 1.00 0.00 N ATOM 361 CA TRP A 24 8.843 40.769 33.639 1.00 0.00 C ATOM 362 C TRP A 24 9.599 42.083 33.443 1.00 0.00 C ATOM 363 O TRP A 24 8.993 43.116 33.158 1.00 0.00 O ATOM 364 CB TRP A 24 8.612 40.425 35.112 1.00 0.00 C ATOM 365 CG TRP A 24 8.052 41.584 35.940 1.00 0.00 C ATOM 366 CD1 TRP A 24 8.546 42.100 37.074 1.00 0.00 C ATOM 367 CD2 TRP A 24 6.866 42.352 35.652 1.00 0.00 C ATOM 368 NE1 TRP A 24 7.766 43.142 37.535 1.00 0.00 N ATOM 369 CE2 TRP A 24 6.713 43.300 36.643 1.00 0.00 C ATOM 370 CE3 TRP A 24 5.952 42.250 34.588 1.00 0.00 C ATOM 371 CZ2 TRP A 24 5.655 44.218 36.669 1.00 0.00 C ATOM 372 CZ3 TRP A 24 4.901 43.174 34.629 1.00 0.00 C ATOM 373 CH2 TRP A 24 4.733 44.135 35.620 1.00 0.00 C ATOM 0 H TRP A 24 10.037 39.045 33.596 1.00 0.00 H new ATOM 0 HA TRP A 24 7.849 40.872 33.205 1.00 0.00 H new ATOM 0 HB2 TRP A 24 7.924 39.582 35.174 1.00 0.00 H new ATOM 0 HB3 TRP A 24 9.555 40.100 35.551 1.00 0.00 H new ATOM 0 HD1 TRP A 24 9.440 41.746 37.565 1.00 0.00 H new ATOM 0 HE1 TRP A 24 7.933 43.694 38.376 1.00 0.00 H new ATOM 0 HE3 TRP A 24 6.053 41.517 33.801 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 5.556 44.950 37.457 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 4.169 43.138 33.835 1.00 0.00 H new ATOM 0 HH2 TRP A 24 3.894 44.814 35.580 1.00 0.00 H new ATOM 384 N LEU A 25 10.912 42.003 33.603 1.00 0.00 N ATOM 385 CA LEU A 25 11.757 43.176 33.446 1.00 0.00 C ATOM 386 C LEU A 25 11.461 43.836 32.099 1.00 0.00 C ATOM 387 O LEU A 25 11.500 45.061 31.982 1.00 0.00 O ATOM 388 CB LEU A 25 13.229 42.805 33.640 1.00 0.00 C ATOM 389 CG LEU A 25 14.166 43.952 34.024 1.00 0.00 C ATOM 390 CD1 LEU A 25 13.546 44.823 35.118 1.00 0.00 C ATOM 391 CD2 LEU A 25 15.545 43.423 34.423 1.00 0.00 C ATOM 0 H LEU A 25 11.411 41.146 33.839 1.00 0.00 H new ATOM 0 HA LEU A 25 11.534 43.913 34.217 1.00 0.00 H new ATOM 0 HB2 LEU A 25 13.291 42.038 34.412 1.00 0.00 H new ATOM 0 HB3 LEU A 25 13.595 42.357 32.716 1.00 0.00 H new ATOM 0 HG LEU A 25 14.306 44.587 33.149 1.00 0.00 H new ATOM 0 HD11 LEU A 25 14.232 45.631 35.373 1.00 0.00 H new ATOM 0 HD12 LEU A 25 12.607 45.244 34.759 1.00 0.00 H new ATOM 0 HD13 LEU A 25 13.356 44.216 36.003 1.00 0.00 H new ATOM 0 HD21 LEU A 25 16.192 44.259 34.691 1.00 0.00 H new ATOM 0 HD22 LEU A 25 15.445 42.753 35.277 1.00 0.00 H new ATOM 0 HD23 LEU A 25 15.983 42.880 33.585 1.00 0.00 H new ATOM 403 N ASN A 26 11.173 42.997 31.115 1.00 0.00 N ATOM 404 CA ASN A 26 10.872 43.485 29.780 1.00 0.00 C ATOM 405 C ASN A 26 9.613 44.354 29.831 1.00 0.00 C ATOM 406 O ASN A 26 9.425 45.231 28.990 1.00 0.00 O ATOM 407 CB ASN A 26 10.607 42.326 28.817 1.00 0.00 C ATOM 408 CG ASN A 26 10.335 42.840 27.402 1.00 0.00 C ATOM 409 OD1 ASN A 26 9.265 42.662 26.844 1.00 0.00 O ATOM 410 ND2 ASN A 26 11.360 43.486 26.854 1.00 0.00 N ATOM 0 H ASN A 26 11.142 41.982 31.216 1.00 0.00 H new ATOM 0 HA ASN A 26 11.731 44.057 29.429 1.00 0.00 H new ATOM 0 HB2 ASN A 26 11.466 41.655 28.805 1.00 0.00 H new ATOM 0 HB3 ASN A 26 9.754 41.745 29.167 1.00 0.00 H new ATOM 0 HD21 ASN A 26 11.277 43.867 25.912 1.00 0.00 H new ATOM 0 HD22 ASN A 26 12.229 43.600 27.376 1.00 0.00 H new ATOM 417 N PHE A 27 8.784 44.079 30.827 1.00 0.00 N ATOM 418 CA PHE A 27 7.548 44.824 31.000 1.00 0.00 C ATOM 419 C PHE A 27 7.737 45.977 31.987 1.00 0.00 C ATOM 420 O PHE A 27 7.127 47.035 31.835 1.00 0.00 O ATOM 421 CB PHE A 27 6.512 43.849 31.563 1.00 0.00 C ATOM 422 CG PHE A 27 5.075 44.152 31.135 1.00 0.00 C ATOM 423 CD1 PHE A 27 4.733 45.410 30.744 1.00 0.00 C ATOM 424 CD2 PHE A 27 4.140 43.165 31.146 1.00 0.00 C ATOM 425 CE1 PHE A 27 3.398 45.691 30.346 1.00 0.00 C ATOM 426 CE2 PHE A 27 2.806 43.447 30.748 1.00 0.00 C ATOM 427 CZ PHE A 27 2.463 44.704 30.357 1.00 0.00 C ATOM 0 H PHE A 27 8.944 43.350 31.523 1.00 0.00 H new ATOM 0 HA PHE A 27 7.231 45.246 30.046 1.00 0.00 H new ATOM 0 HB2 PHE A 27 6.769 42.838 31.246 1.00 0.00 H new ATOM 0 HB3 PHE A 27 6.567 43.865 32.651 1.00 0.00 H new ATOM 0 HD1 PHE A 27 5.476 46.194 30.736 1.00 0.00 H new ATOM 0 HD2 PHE A 27 4.411 42.167 31.457 1.00 0.00 H new ATOM 0 HE1 PHE A 27 3.126 46.689 30.035 1.00 0.00 H new ATOM 0 HE2 PHE A 27 2.063 42.663 30.756 1.00 0.00 H new ATOM 0 HZ PHE A 27 1.448 44.918 30.055 1.00 0.00 H new ATOM 437 N LEU A 28 8.582 45.733 32.977 1.00 0.00 N ATOM 438 CA LEU A 28 8.858 46.739 33.990 1.00 0.00 C ATOM 439 C LEU A 28 9.833 47.773 33.423 1.00 0.00 C ATOM 440 O LEU A 28 9.872 48.912 33.885 1.00 0.00 O ATOM 441 CB LEU A 28 9.346 46.078 35.281 1.00 0.00 C ATOM 442 CG LEU A 28 9.392 46.977 36.519 1.00 0.00 C ATOM 443 CD1 LEU A 28 8.010 47.557 36.827 1.00 0.00 C ATOM 444 CD2 LEU A 28 9.980 46.231 37.717 1.00 0.00 C ATOM 0 H LEU A 28 9.085 44.854 33.100 1.00 0.00 H new ATOM 0 HA LEU A 28 7.946 47.272 34.256 1.00 0.00 H new ATOM 0 HB2 LEU A 28 8.699 45.228 35.498 1.00 0.00 H new ATOM 0 HB3 LEU A 28 10.346 45.681 35.107 1.00 0.00 H new ATOM 0 HG LEU A 28 10.054 47.817 36.307 1.00 0.00 H new ATOM 0 HD11 LEU A 28 8.071 48.192 37.711 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.666 48.148 35.978 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.307 46.744 37.011 1.00 0.00 H new ATOM 0 HD21 LEU A 28 10.001 46.893 38.583 1.00 0.00 H new ATOM 0 HD22 LEU A 28 9.364 45.360 37.941 1.00 0.00 H new ATOM 0 HD23 LEU A 28 10.994 45.908 37.482 1.00 0.00 H new ATOM 456 N GLN A 29 10.594 47.339 32.430 1.00 0.00 N ATOM 457 CA GLN A 29 11.565 48.214 31.795 1.00 0.00 C ATOM 458 C GLN A 29 10.853 49.283 30.962 1.00 0.00 C ATOM 459 O GLN A 29 11.021 50.476 31.205 1.00 0.00 O ATOM 460 CB GLN A 29 12.546 47.413 30.936 1.00 0.00 C ATOM 461 CG GLN A 29 13.721 46.906 31.773 1.00 0.00 C ATOM 462 CD GLN A 29 14.705 46.111 30.914 1.00 0.00 C ATOM 463 OE1 GLN A 29 15.701 46.621 30.430 1.00 0.00 O ATOM 464 NE2 GLN A 29 14.370 44.833 30.749 1.00 0.00 N ATOM 0 H GLN A 29 10.558 46.393 32.049 1.00 0.00 H new ATOM 0 HA GLN A 29 12.140 48.713 32.575 1.00 0.00 H new ATOM 0 HB2 GLN A 29 12.029 46.569 30.479 1.00 0.00 H new ATOM 0 HB3 GLN A 29 12.917 48.037 30.123 1.00 0.00 H new ATOM 0 HG2 GLN A 29 14.235 47.750 32.233 1.00 0.00 H new ATOM 0 HG3 GLN A 29 13.350 46.278 32.583 1.00 0.00 H new ATOM 0 HE21 GLN A 29 13.522 44.468 31.182 1.00 0.00 H new ATOM 0 HE22 GLN A 29 14.962 44.219 30.190 1.00 0.00 H new ATOM 473 N ALA A 30 10.075 48.814 29.998 1.00 0.00 N ATOM 474 CA ALA A 30 9.337 49.714 29.129 1.00 0.00 C ATOM 475 C ALA A 30 8.477 50.649 29.982 1.00 0.00 C ATOM 476 O ALA A 30 8.427 51.854 29.732 1.00 0.00 O ATOM 477 CB ALA A 30 8.504 48.900 28.138 1.00 0.00 C ATOM 0 H ALA A 30 9.940 47.823 29.800 1.00 0.00 H new ATOM 0 HA ALA A 30 10.022 50.332 28.548 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.951 49.576 27.486 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.163 48.275 27.536 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.804 48.268 28.684 1.00 0.00 H new ATOM 483 N ALA A 31 7.822 50.062 30.972 1.00 0.00 N ATOM 484 CA ALA A 31 6.967 50.827 31.864 1.00 0.00 C ATOM 485 C ALA A 31 7.787 51.939 32.519 1.00 0.00 C ATOM 486 O ALA A 31 7.266 53.018 32.796 1.00 0.00 O ATOM 487 CB ALA A 31 6.330 49.889 32.891 1.00 0.00 C ATOM 0 H ALA A 31 7.866 49.064 31.177 1.00 0.00 H new ATOM 0 HA ALA A 31 6.157 51.299 31.308 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.689 50.463 33.560 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.734 49.136 32.375 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.112 49.399 33.471 1.00 0.00 H new ATOM 493 N TYR A 32 9.057 51.637 32.748 1.00 0.00 N ATOM 494 CA TYR A 32 9.955 52.599 33.366 1.00 0.00 C ATOM 495 C TYR A 32 10.526 53.564 32.325 1.00 0.00 C ATOM 496 O TYR A 32 11.028 54.631 32.673 1.00 0.00 O ATOM 497 CB TYR A 32 11.099 51.781 33.968 1.00 0.00 C ATOM 498 CG TYR A 32 11.372 52.085 35.442 1.00 0.00 C ATOM 499 CD1 TYR A 32 11.719 53.363 35.830 1.00 0.00 C ATOM 500 CD2 TYR A 32 11.273 51.081 36.384 1.00 0.00 C ATOM 501 CE1 TYR A 32 11.977 53.649 37.218 1.00 0.00 C ATOM 502 CE2 TYR A 32 11.531 51.367 37.771 1.00 0.00 C ATOM 503 CZ TYR A 32 11.870 52.637 38.119 1.00 0.00 C ATOM 504 OH TYR A 32 12.114 52.907 39.430 1.00 0.00 O ATOM 0 H TYR A 32 9.485 50.741 32.517 1.00 0.00 H new ATOM 0 HA TYR A 32 9.427 53.192 34.113 1.00 0.00 H new ATOM 0 HB2 TYR A 32 10.869 50.721 33.863 1.00 0.00 H new ATOM 0 HB3 TYR A 32 12.007 51.968 33.395 1.00 0.00 H new ATOM 0 HD1 TYR A 32 11.797 54.149 35.093 1.00 0.00 H new ATOM 0 HD2 TYR A 32 11.002 50.081 36.080 1.00 0.00 H new ATOM 0 HE1 TYR A 32 12.249 54.645 37.535 1.00 0.00 H new ATOM 0 HE2 TYR A 32 11.457 50.591 38.518 1.00 0.00 H new ATOM 0 HH TYR A 32 11.999 52.090 39.959 1.00 0.00 H new ATOM 514 N ARG A 33 10.429 53.154 31.070 1.00 0.00 N ATOM 515 CA ARG A 33 10.930 53.969 29.975 1.00 0.00 C ATOM 516 C ARG A 33 9.853 54.949 29.507 1.00 0.00 C ATOM 517 O ARG A 33 10.156 55.942 28.850 1.00 0.00 O ATOM 518 CB ARG A 33 11.365 53.098 28.794 1.00 0.00 C ATOM 519 CG ARG A 33 11.583 53.946 27.539 1.00 0.00 C ATOM 520 CD ARG A 33 12.712 53.373 26.681 1.00 0.00 C ATOM 521 NE ARG A 33 12.255 53.217 25.281 1.00 0.00 N ATOM 522 CZ ARG A 33 11.642 52.113 24.804 1.00 0.00 C ATOM 523 NH1 ARG A 33 11.408 51.056 25.611 1.00 0.00 N ATOM 524 NH2 ARG A 33 11.276 52.082 23.537 1.00 0.00 N ATOM 0 H ARG A 33 10.011 52.268 30.786 1.00 0.00 H new ATOM 0 HA ARG A 33 11.795 54.522 30.342 1.00 0.00 H new ATOM 0 HB2 ARG A 33 12.285 52.571 29.046 1.00 0.00 H new ATOM 0 HB3 ARG A 33 10.607 52.340 28.598 1.00 0.00 H new ATOM 0 HG2 ARG A 33 10.662 53.984 26.957 1.00 0.00 H new ATOM 0 HG3 ARG A 33 11.822 54.970 27.825 1.00 0.00 H new ATOM 0 HD2 ARG A 33 13.579 54.033 26.718 1.00 0.00 H new ATOM 0 HD3 ARG A 33 13.028 52.409 27.079 1.00 0.00 H new ATOM 0 HE ARG A 33 12.413 53.992 24.637 1.00 0.00 H new ATOM 0 HH11 ARG A 33 11.695 51.088 26.589 1.00 0.00 H new ATOM 0 HH12 ARG A 33 10.944 50.226 25.242 1.00 0.00 H new ATOM 0 HH21 ARG A 33 11.457 52.884 22.934 1.00 0.00 H new ATOM 0 HH22 ARG A 33 10.812 51.256 23.160 1.00 0.00 H new ATOM 537 N LEU A 34 8.616 54.635 29.865 1.00 0.00 N ATOM 538 CA LEU A 34 7.493 55.476 29.491 1.00 0.00 C ATOM 539 C LEU A 34 7.552 56.783 30.286 1.00 0.00 C ATOM 540 O LEU A 34 8.606 57.409 30.382 1.00 0.00 O ATOM 541 CB LEU A 34 6.176 54.716 29.655 1.00 0.00 C ATOM 542 CG LEU A 34 6.080 53.374 28.924 1.00 0.00 C ATOM 543 CD1 LEU A 34 4.632 53.055 28.551 1.00 0.00 C ATOM 544 CD2 LEU A 34 7.006 53.346 27.706 1.00 0.00 C ATOM 0 H LEU A 34 8.368 53.809 30.410 1.00 0.00 H new ATOM 0 HA LEU A 34 7.552 55.742 28.435 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.011 54.541 30.718 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.365 55.355 29.307 1.00 0.00 H new ATOM 0 HG LEU A 34 6.417 52.590 29.603 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.592 52.097 28.033 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.026 53.004 29.456 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.244 53.837 27.898 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.919 52.382 27.205 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.723 54.141 27.016 1.00 0.00 H new ATOM 0 HD23 LEU A 34 8.036 53.495 28.029 1.00 0.00 H new ATOM 665 N PHE A 43 0.773 50.217 38.227 1.00 0.00 N ATOM 666 CA PHE A 43 1.091 48.809 38.384 1.00 0.00 C ATOM 667 C PHE A 43 -0.172 47.984 38.634 1.00 0.00 C ATOM 668 O PHE A 43 -0.205 46.789 38.344 1.00 0.00 O ATOM 669 CB PHE A 43 2.012 48.691 39.600 1.00 0.00 C ATOM 670 CG PHE A 43 3.461 49.099 39.327 1.00 0.00 C ATOM 671 CD1 PHE A 43 3.740 50.346 38.858 1.00 0.00 C ATOM 672 CD2 PHE A 43 4.470 48.217 39.553 1.00 0.00 C ATOM 673 CE1 PHE A 43 5.084 50.725 38.604 1.00 0.00 C ATOM 674 CE2 PHE A 43 5.814 48.596 39.298 1.00 0.00 C ATOM 675 CZ PHE A 43 6.094 49.842 38.830 1.00 0.00 C ATOM 0 HA PHE A 43 1.564 48.432 37.477 1.00 0.00 H new ATOM 0 HB2 PHE A 43 1.616 49.312 40.404 1.00 0.00 H new ATOM 0 HB3 PHE A 43 1.997 47.661 39.956 1.00 0.00 H new ATOM 0 HD1 PHE A 43 2.938 51.047 38.679 1.00 0.00 H new ATOM 0 HD2 PHE A 43 4.249 47.228 39.927 1.00 0.00 H new ATOM 0 HE1 PHE A 43 5.305 51.714 38.231 1.00 0.00 H new ATOM 0 HE2 PHE A 43 6.615 47.894 39.476 1.00 0.00 H new ATOM 0 HZ PHE A 43 7.117 50.130 38.638 1.00 0.00 H new ATOM 685 N GLN A 44 -1.182 48.656 39.168 1.00 0.00 N ATOM 686 CA GLN A 44 -2.446 48.000 39.459 1.00 0.00 C ATOM 687 C GLN A 44 -3.036 47.392 38.184 1.00 0.00 C ATOM 688 O GLN A 44 -3.549 46.275 38.206 1.00 0.00 O ATOM 689 CB GLN A 44 -3.432 48.972 40.109 1.00 0.00 C ATOM 690 CG GLN A 44 -3.376 50.344 39.431 1.00 0.00 C ATOM 691 CD GLN A 44 -4.777 50.816 39.036 1.00 0.00 C ATOM 692 OE1 GLN A 44 -5.054 51.130 37.890 1.00 0.00 O ATOM 693 NE2 GLN A 44 -5.642 50.849 40.046 1.00 0.00 N ATOM 0 H GLN A 44 -1.151 49.647 39.407 1.00 0.00 H new ATOM 0 HA GLN A 44 -2.259 47.195 40.169 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -4.443 48.570 40.042 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -3.200 49.076 41.169 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -2.920 51.069 40.106 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -2.743 50.291 38.545 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -5.344 50.573 40.982 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -6.603 51.151 39.885 1.00 0.00 H new ATOM 702 N GLN A 45 -2.941 48.154 37.106 1.00 0.00 N ATOM 703 CA GLN A 45 -3.458 47.705 35.824 1.00 0.00 C ATOM 704 C GLN A 45 -2.575 46.592 35.255 1.00 0.00 C ATOM 705 O GLN A 45 -3.025 45.798 34.431 1.00 0.00 O ATOM 706 CB GLN A 45 -3.574 48.870 34.840 1.00 0.00 C ATOM 707 CG GLN A 45 -5.033 49.292 34.658 1.00 0.00 C ATOM 708 CD GLN A 45 -5.197 50.801 34.856 1.00 0.00 C ATOM 709 OE1 GLN A 45 -6.023 51.266 35.624 1.00 0.00 O ATOM 710 NE2 GLN A 45 -4.366 51.536 34.123 1.00 0.00 N ATOM 0 H GLN A 45 -2.514 49.080 37.093 1.00 0.00 H new ATOM 0 HA GLN A 45 -4.459 47.304 35.980 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.990 49.716 35.202 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -3.153 48.581 33.877 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -5.374 49.013 33.661 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -5.661 48.758 35.371 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -3.698 51.082 33.500 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -4.396 52.554 34.184 1.00 0.00 H new ATOM 719 N LEU A 46 -1.334 46.571 35.719 1.00 0.00 N ATOM 720 CA LEU A 46 -0.383 45.569 35.267 1.00 0.00 C ATOM 721 C LEU A 46 -0.592 44.279 36.063 1.00 0.00 C ATOM 722 O LEU A 46 -0.817 43.218 35.483 1.00 0.00 O ATOM 723 CB LEU A 46 1.045 46.114 35.341 1.00 0.00 C ATOM 724 CG LEU A 46 1.792 46.219 34.010 1.00 0.00 C ATOM 725 CD1 LEU A 46 2.792 47.377 34.033 1.00 0.00 C ATOM 726 CD2 LEU A 46 2.461 44.891 33.650 1.00 0.00 C ATOM 0 H LEU A 46 -0.965 47.231 36.403 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.553 45.327 34.218 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.012 47.104 35.795 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.622 45.476 36.010 1.00 0.00 H new ATOM 0 HG LEU A 46 1.066 46.436 33.227 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.310 47.430 33.075 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.261 48.312 34.211 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.518 47.215 34.829 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.985 44.993 32.700 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.173 44.619 34.429 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.702 44.113 33.564 1.00 0.00 H new ATOM 738 N ARG A 47 -0.508 44.413 37.378 1.00 0.00 N ATOM 739 CA ARG A 47 -0.685 43.271 38.259 1.00 0.00 C ATOM 740 C ARG A 47 -2.002 42.557 37.945 1.00 0.00 C ATOM 741 O ARG A 47 -2.180 41.393 38.300 1.00 0.00 O ATOM 742 CB ARG A 47 -0.684 43.702 39.727 1.00 0.00 C ATOM 743 CG ARG A 47 -0.075 42.616 40.617 1.00 0.00 C ATOM 744 CD ARG A 47 1.450 42.598 40.492 1.00 0.00 C ATOM 745 NE ARG A 47 1.914 41.235 40.154 1.00 0.00 N ATOM 746 CZ ARG A 47 3.209 40.895 39.987 1.00 0.00 C ATOM 747 NH1 ARG A 47 4.183 41.820 40.126 1.00 0.00 N ATOM 748 NH2 ARG A 47 3.510 39.646 39.685 1.00 0.00 N ATOM 0 H ARG A 47 -0.320 45.295 37.855 1.00 0.00 H new ATOM 0 HA ARG A 47 0.150 42.591 38.091 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.119 44.627 39.838 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -1.704 43.911 40.049 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.357 42.791 41.655 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.478 41.643 40.337 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.768 43.301 39.722 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.904 42.924 41.428 1.00 0.00 H new ATOM 0 HE ARG A 47 1.210 40.506 40.040 1.00 0.00 H new ATOM 0 HH11 ARG A 47 3.942 42.783 40.359 1.00 0.00 H new ATOM 0 HH12 ARG A 47 5.160 41.555 39.998 1.00 0.00 H new ATOM 0 HH21 ARG A 47 2.768 38.954 39.581 1.00 0.00 H new ATOM 0 HH22 ARG A 47 4.484 39.373 39.556 1.00 0.00 H new ATOM 761 N ARG A 48 -2.889 43.284 37.282 1.00 0.00 N ATOM 762 CA ARG A 48 -4.184 42.736 36.917 1.00 0.00 C ATOM 763 C ARG A 48 -4.066 41.906 35.637 1.00 0.00 C ATOM 764 O ARG A 48 -4.724 40.876 35.497 1.00 0.00 O ATOM 765 CB ARG A 48 -5.213 43.847 36.704 1.00 0.00 C ATOM 766 CG ARG A 48 -6.469 43.307 36.017 1.00 0.00 C ATOM 767 CD ARG A 48 -7.696 44.146 36.379 1.00 0.00 C ATOM 768 NE ARG A 48 -8.809 43.261 36.791 1.00 0.00 N ATOM 769 CZ ARG A 48 -10.063 43.693 37.048 1.00 0.00 C ATOM 770 NH1 ARG A 48 -10.373 45.002 36.938 1.00 0.00 N ATOM 771 NH2 ARG A 48 -10.980 42.815 37.409 1.00 0.00 N ATOM 0 H ARG A 48 -2.736 44.249 36.988 1.00 0.00 H new ATOM 0 HA ARG A 48 -4.519 42.101 37.737 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -5.481 44.289 37.664 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -4.776 44.641 36.099 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -6.327 43.311 34.936 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -6.633 42.271 36.313 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -7.450 44.835 37.187 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -7.998 44.751 35.524 1.00 0.00 H new ATOM 0 HE ARG A 48 -8.617 42.264 36.887 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -9.658 45.674 36.659 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -11.322 45.319 37.134 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -10.737 41.828 37.490 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -11.932 43.124 37.607 1.00 0.00 H new ATOM 784 N PHE A 49 -3.223 42.386 34.734 1.00 0.00 N ATOM 785 CA PHE A 49 -3.010 41.702 33.469 1.00 0.00 C ATOM 786 C PHE A 49 -2.191 40.425 33.668 1.00 0.00 C ATOM 787 O PHE A 49 -2.490 39.393 33.068 1.00 0.00 O ATOM 788 CB PHE A 49 -2.229 42.660 32.569 1.00 0.00 C ATOM 789 CG PHE A 49 -1.934 42.102 31.175 1.00 0.00 C ATOM 790 CD1 PHE A 49 -2.948 41.622 30.407 1.00 0.00 C ATOM 791 CD2 PHE A 49 -0.658 42.088 30.704 1.00 0.00 C ATOM 792 CE1 PHE A 49 -2.676 41.103 29.113 1.00 0.00 C ATOM 793 CE2 PHE A 49 -0.385 41.570 29.410 1.00 0.00 C ATOM 794 CZ PHE A 49 -1.400 41.089 28.642 1.00 0.00 C ATOM 0 H PHE A 49 -2.679 43.241 34.853 1.00 0.00 H new ATOM 0 HA PHE A 49 -3.968 41.422 33.031 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -2.793 43.587 32.466 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -1.287 42.912 33.055 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -3.961 41.635 30.781 1.00 0.00 H new ATOM 0 HD2 PHE A 49 0.147 42.471 31.314 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -3.481 40.720 28.504 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.628 41.558 29.036 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.192 40.696 27.658 1.00 0.00 H new ATOM 804 N LEU A 50 -1.177 40.536 34.513 1.00 0.00 N ATOM 805 CA LEU A 50 -0.313 39.403 34.798 1.00 0.00 C ATOM 806 C LEU A 50 -1.103 38.347 35.575 1.00 0.00 C ATOM 807 O LEU A 50 -1.154 37.186 35.173 1.00 0.00 O ATOM 808 CB LEU A 50 0.960 39.865 35.508 1.00 0.00 C ATOM 809 CG LEU A 50 1.729 41.004 34.836 1.00 0.00 C ATOM 810 CD1 LEU A 50 2.699 41.666 35.816 1.00 0.00 C ATOM 811 CD2 LEU A 50 2.437 40.516 33.570 1.00 0.00 C ATOM 0 H LEU A 50 -0.934 41.393 35.010 1.00 0.00 H new ATOM 0 HA LEU A 50 0.019 38.935 33.871 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.695 40.179 36.518 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.629 39.010 35.605 1.00 0.00 H new ATOM 0 HG LEU A 50 1.011 41.766 34.531 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.232 42.472 35.312 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.142 42.072 36.661 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.415 40.926 36.175 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.976 41.345 33.112 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.141 39.725 33.829 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.699 40.130 32.866 1.00 0.00 H new ATOM 823 N LYS A 51 -1.698 38.790 36.673 1.00 0.00 N ATOM 824 CA LYS A 51 -2.482 37.898 37.509 1.00 0.00 C ATOM 825 C LYS A 51 -3.565 37.229 36.660 1.00 0.00 C ATOM 826 O LYS A 51 -4.038 36.144 36.994 1.00 0.00 O ATOM 827 CB LYS A 51 -3.031 38.649 38.725 1.00 0.00 C ATOM 828 CG LYS A 51 -3.660 37.681 39.729 1.00 0.00 C ATOM 829 CD LYS A 51 -4.875 38.312 40.413 1.00 0.00 C ATOM 830 CE LYS A 51 -5.368 37.440 41.568 1.00 0.00 C ATOM 831 NZ LYS A 51 -4.703 37.827 42.832 1.00 0.00 N ATOM 0 H LYS A 51 -1.653 39.754 37.002 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.854 37.102 37.910 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.227 39.206 39.206 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.775 39.377 38.402 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -3.960 36.766 39.218 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.921 37.399 40.479 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.613 39.302 40.786 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -5.676 38.447 39.687 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -6.448 37.542 41.673 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -5.166 36.391 41.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.050 37.224 43.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.675 37.707 42.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.916 38.822 43.046 1.00 0.00 H new ATOM 844 N LEU A 52 -3.924 37.903 35.578 1.00 0.00 N ATOM 845 CA LEU A 52 -4.941 37.387 34.678 1.00 0.00 C ATOM 846 C LEU A 52 -4.371 36.200 33.899 1.00 0.00 C ATOM 847 O LEU A 52 -4.901 35.091 33.976 1.00 0.00 O ATOM 848 CB LEU A 52 -5.483 38.504 33.784 1.00 0.00 C ATOM 849 CG LEU A 52 -6.445 38.071 32.676 1.00 0.00 C ATOM 850 CD1 LEU A 52 -7.102 39.284 32.015 1.00 0.00 C ATOM 851 CD2 LEU A 52 -5.739 37.175 31.657 1.00 0.00 C ATOM 0 H LEU A 52 -3.529 38.802 35.304 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.797 37.018 35.243 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -5.992 39.232 34.415 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -4.638 39.016 33.324 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.242 37.480 33.127 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -7.781 38.948 31.231 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -7.661 39.847 32.762 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.333 39.922 31.580 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.445 36.881 30.880 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.910 37.720 31.206 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.359 36.284 32.157 1.00 0.00 H new ATOM 863 N ALA A 53 -3.301 36.470 33.168 1.00 0.00 N ATOM 864 CA ALA A 53 -2.654 35.436 32.377 1.00 0.00 C ATOM 865 C ALA A 53 -2.322 34.245 33.276 1.00 0.00 C ATOM 866 O ALA A 53 -2.290 33.105 32.814 1.00 0.00 O ATOM 867 CB ALA A 53 -1.412 36.017 31.696 1.00 0.00 C ATOM 0 H ALA A 53 -2.865 37.390 33.106 1.00 0.00 H new ATOM 0 HA ALA A 53 -3.321 35.080 31.592 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.926 35.242 31.103 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.706 36.841 31.046 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.719 36.382 32.454 1.00 0.00 H new ATOM 873 N LEU A 54 -2.084 34.548 34.543 1.00 0.00 N ATOM 874 CA LEU A 54 -1.756 33.515 35.512 1.00 0.00 C ATOM 875 C LEU A 54 -2.952 32.575 35.672 1.00 0.00 C ATOM 876 O LEU A 54 -2.832 31.508 36.273 1.00 0.00 O ATOM 877 CB LEU A 54 -1.286 34.142 36.826 1.00 0.00 C ATOM 878 CG LEU A 54 0.075 33.673 37.344 1.00 0.00 C ATOM 879 CD1 LEU A 54 1.100 33.607 36.209 1.00 0.00 C ATOM 880 CD2 LEU A 54 0.555 34.553 38.499 1.00 0.00 C ATOM 0 H LEU A 54 -2.112 35.495 34.922 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.920 32.911 35.158 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.250 35.224 36.697 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.034 33.937 37.592 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.038 32.662 37.735 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.059 33.271 36.604 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.755 32.907 35.448 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.217 34.596 35.766 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.524 34.198 38.848 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.648 35.584 38.157 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.165 34.505 39.316 1.00 0.00 H new ATOM 892 N LYS A 55 -4.079 33.003 35.124 1.00 0.00 N ATOM 893 CA LYS A 55 -5.296 32.213 35.199 1.00 0.00 C ATOM 894 C LYS A 55 -5.216 31.066 34.190 1.00 0.00 C ATOM 895 O LYS A 55 -6.139 30.257 34.090 1.00 0.00 O ATOM 896 CB LYS A 55 -6.526 33.104 35.020 1.00 0.00 C ATOM 897 CG LYS A 55 -6.573 34.196 36.091 1.00 0.00 C ATOM 898 CD LYS A 55 -7.586 33.849 37.184 1.00 0.00 C ATOM 899 CE LYS A 55 -9.010 34.192 36.741 1.00 0.00 C ATOM 900 NZ LYS A 55 -9.194 35.659 36.677 1.00 0.00 N ATOM 0 H LYS A 55 -4.175 33.888 34.626 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.398 31.764 36.187 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.508 33.561 34.030 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.430 32.497 35.074 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -5.584 34.320 36.533 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -6.839 35.149 35.633 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -7.521 32.787 37.421 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.344 34.395 38.096 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -9.209 33.752 35.764 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -9.728 33.760 37.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -10.207 35.885 36.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -8.684 36.108 37.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -8.821 36.017 35.775 1.00 0.00 H new ATOM 913 N THR A 56 -4.107 31.031 33.468 1.00 0.00 N ATOM 914 CA THR A 56 -3.895 29.996 32.470 1.00 0.00 C ATOM 915 C THR A 56 -2.399 29.745 32.272 1.00 0.00 C ATOM 916 O THR A 56 -1.744 30.451 31.506 1.00 0.00 O ATOM 917 CB THR A 56 -4.616 30.420 31.189 1.00 0.00 C ATOM 918 OG1 THR A 56 -4.495 29.287 30.332 1.00 0.00 O ATOM 919 CG2 THR A 56 -3.876 31.532 30.442 1.00 0.00 C ATOM 0 H THR A 56 -3.344 31.703 33.554 1.00 0.00 H new ATOM 0 HA THR A 56 -4.312 29.042 32.794 1.00 0.00 H new ATOM 0 HB THR A 56 -5.624 30.755 31.433 1.00 0.00 H new ATOM 0 HG1 THR A 56 -5.067 29.409 29.546 1.00 0.00 H new ATOM 0 HG21 THR A 56 -4.430 31.796 29.541 1.00 0.00 H new ATOM 0 HG22 THR A 56 -3.791 32.408 31.085 1.00 0.00 H new ATOM 0 HG23 THR A 56 -2.880 31.185 30.167 1.00 0.00 H new ATOM 927 N PRO A 57 -1.889 28.711 32.992 1.00 0.00 N ATOM 928 CA PRO A 57 -0.481 28.358 32.903 1.00 0.00 C ATOM 929 C PRO A 57 -0.181 27.636 31.588 1.00 0.00 C ATOM 930 O PRO A 57 0.139 26.448 31.587 1.00 0.00 O ATOM 931 CB PRO A 57 -0.213 27.499 34.128 1.00 0.00 C ATOM 932 CG PRO A 57 -1.574 27.018 34.606 1.00 0.00 C ATOM 933 CD PRO A 57 -2.635 27.852 33.908 1.00 0.00 C ATOM 0 HA PRO A 57 0.173 29.230 32.895 1.00 0.00 H new ATOM 0 HB2 PRO A 57 0.434 26.657 33.881 1.00 0.00 H new ATOM 0 HB3 PRO A 57 0.293 28.073 34.904 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -1.707 25.961 34.376 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -1.657 27.122 35.688 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -3.344 27.222 33.371 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -3.210 28.441 34.623 1.00 0.00 H new ATOM 941 N ILE A 58 -0.293 28.383 30.500 1.00 0.00 N ATOM 942 CA ILE A 58 -0.037 27.829 29.181 1.00 0.00 C ATOM 943 C ILE A 58 1.112 28.598 28.525 1.00 0.00 C ATOM 944 O ILE A 58 1.773 28.082 27.624 1.00 0.00 O ATOM 945 CB ILE A 58 -1.320 27.811 28.349 1.00 0.00 C ATOM 946 CG1 ILE A 58 -1.032 28.163 26.888 1.00 0.00 C ATOM 947 CG2 ILE A 58 -2.383 28.725 28.960 1.00 0.00 C ATOM 948 CD1 ILE A 58 -0.158 27.094 26.228 1.00 0.00 C ATOM 0 H ILE A 58 -0.558 29.368 30.505 1.00 0.00 H new ATOM 0 HA ILE A 58 0.278 26.789 29.259 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.721 26.798 28.363 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.970 28.259 26.342 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.532 29.130 26.835 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.285 28.693 28.349 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -2.617 28.387 29.970 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.006 29.747 28.998 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.032 27.369 25.190 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.789 27.018 26.762 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.671 26.133 26.261 1.00 0.00 H new ATOM 960 N TRP A 59 1.313 29.818 28.999 1.00 0.00 N ATOM 961 CA TRP A 59 2.369 30.663 28.470 1.00 0.00 C ATOM 962 C TRP A 59 3.600 30.496 29.362 1.00 0.00 C ATOM 963 O TRP A 59 4.722 30.769 28.936 1.00 0.00 O ATOM 964 CB TRP A 59 1.905 32.117 28.358 1.00 0.00 C ATOM 965 CG TRP A 59 1.139 32.621 29.582 1.00 0.00 C ATOM 966 CD1 TRP A 59 -0.140 32.393 29.908 1.00 0.00 C ATOM 967 CD2 TRP A 59 1.662 33.454 30.639 1.00 0.00 C ATOM 968 NE1 TRP A 59 -0.479 33.016 31.092 1.00 0.00 N ATOM 969 CE2 TRP A 59 0.652 33.682 31.551 1.00 0.00 C ATOM 970 CE3 TRP A 59 2.946 33.997 30.819 1.00 0.00 C ATOM 971 CZ2 TRP A 59 0.819 34.456 32.705 1.00 0.00 C ATOM 972 CZ3 TRP A 59 3.099 34.770 31.977 1.00 0.00 C ATOM 973 CH2 TRP A 59 2.091 35.008 32.905 1.00 0.00 C ATOM 0 H TRP A 59 0.761 30.242 29.745 1.00 0.00 H new ATOM 0 HA TRP A 59 2.631 30.362 27.455 1.00 0.00 H new ATOM 0 HB2 TRP A 59 2.775 32.754 28.199 1.00 0.00 H new ATOM 0 HB3 TRP A 59 1.270 32.218 27.478 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -0.821 31.797 29.318 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -1.392 32.992 31.547 1.00 0.00 H new ATOM 0 HE3 TRP A 59 3.752 33.831 30.119 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 0.011 34.619 33.403 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 4.067 35.212 32.162 1.00 0.00 H new ATOM 0 HH2 TRP A 59 2.288 35.616 33.776 1.00 0.00 H new ATOM 984 N LEU A 60 3.351 30.048 30.583 1.00 0.00 N ATOM 985 CA LEU A 60 4.425 29.842 31.540 1.00 0.00 C ATOM 986 C LEU A 60 5.264 28.639 31.105 1.00 0.00 C ATOM 987 O LEU A 60 6.481 28.744 30.965 1.00 0.00 O ATOM 988 CB LEU A 60 3.864 29.722 32.958 1.00 0.00 C ATOM 989 CG LEU A 60 4.279 30.820 33.939 1.00 0.00 C ATOM 990 CD1 LEU A 60 4.366 32.177 33.238 1.00 0.00 C ATOM 991 CD2 LEU A 60 3.341 30.858 35.147 1.00 0.00 C ATOM 0 H LEU A 60 2.420 29.821 30.932 1.00 0.00 H new ATOM 0 HA LEU A 60 5.090 30.705 31.559 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.776 29.709 32.897 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.171 28.760 33.369 1.00 0.00 H new ATOM 0 HG LEU A 60 5.276 30.586 34.312 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.663 32.940 33.958 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.104 32.126 32.438 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.393 32.433 32.819 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.658 31.647 35.829 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.323 31.056 34.811 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.373 29.898 35.663 1.00 0.00 H new ATOM 1003 N ASN A 61 4.579 27.521 30.904 1.00 0.00 N ATOM 1004 CA ASN A 61 5.245 26.299 30.489 1.00 0.00 C ATOM 1005 C ASN A 61 6.221 26.616 29.353 1.00 0.00 C ATOM 1006 O ASN A 61 7.421 26.380 29.478 1.00 0.00 O ATOM 1007 CB ASN A 61 4.238 25.270 29.973 1.00 0.00 C ATOM 1008 CG ASN A 61 4.239 24.015 30.849 1.00 0.00 C ATOM 1009 OD1 ASN A 61 3.902 24.044 32.021 1.00 0.00 O ATOM 1010 ND2 ASN A 61 4.636 22.915 30.216 1.00 0.00 N ATOM 0 H ASN A 61 3.569 27.437 31.021 1.00 0.00 H new ATOM 0 HA ASN A 61 5.767 25.890 31.354 1.00 0.00 H new ATOM 0 HB2 ASN A 61 3.240 25.708 29.960 1.00 0.00 H new ATOM 0 HB3 ASN A 61 4.482 25.001 28.945 1.00 0.00 H new ATOM 0 HD21 ASN A 61 4.672 22.025 30.713 1.00 0.00 H new ATOM 0 HD22 ASN A 61 4.905 22.961 29.233 1.00 0.00 H new ATOM 1017 N PRO A 62 5.654 27.160 28.244 1.00 0.00 N ATOM 1018 CA PRO A 62 6.459 27.512 27.087 1.00 0.00 C ATOM 1019 C PRO A 62 7.261 28.789 27.344 1.00 0.00 C ATOM 1020 O PRO A 62 8.146 29.138 26.565 1.00 0.00 O ATOM 1021 CB PRO A 62 5.467 27.654 25.945 1.00 0.00 C ATOM 1022 CG PRO A 62 4.105 27.835 26.595 1.00 0.00 C ATOM 1023 CD PRO A 62 4.234 27.454 28.061 1.00 0.00 C ATOM 0 HA PRO A 62 7.210 26.757 26.853 1.00 0.00 H new ATOM 0 HB2 PRO A 62 5.716 28.508 25.316 1.00 0.00 H new ATOM 0 HB3 PRO A 62 5.480 26.772 25.305 1.00 0.00 H new ATOM 0 HG2 PRO A 62 3.769 28.867 26.497 1.00 0.00 H new ATOM 0 HG3 PRO A 62 3.361 27.210 26.102 1.00 0.00 H new ATOM 0 HD2 PRO A 62 3.911 28.267 28.711 1.00 0.00 H new ATOM 0 HD3 PRO A 62 3.616 26.589 28.301 1.00 0.00 H new ATOM 1031 N ILE A 63 6.923 29.450 28.442 1.00 0.00 N ATOM 1032 CA ILE A 63 7.601 30.681 28.813 1.00 0.00 C ATOM 1033 C ILE A 63 7.915 31.484 27.550 1.00 0.00 C ATOM 1034 O ILE A 63 8.985 31.332 26.963 1.00 0.00 O ATOM 1035 CB ILE A 63 8.831 30.377 29.671 1.00 0.00 C ATOM 1036 CG1 ILE A 63 9.459 31.667 30.203 1.00 0.00 C ATOM 1037 CG2 ILE A 63 9.840 29.525 28.901 1.00 0.00 C ATOM 1038 CD1 ILE A 63 8.387 32.620 30.738 1.00 0.00 C ATOM 0 H ILE A 63 6.189 29.156 29.086 1.00 0.00 H new ATOM 0 HA ILE A 63 6.954 31.301 29.433 1.00 0.00 H new ATOM 0 HB ILE A 63 8.510 29.794 30.534 1.00 0.00 H new ATOM 0 HG12 ILE A 63 10.168 31.430 30.996 1.00 0.00 H new ATOM 0 HG13 ILE A 63 10.022 32.156 29.408 1.00 0.00 H new ATOM 0 HG21 ILE A 63 10.704 29.324 29.534 1.00 0.00 H new ATOM 0 HG22 ILE A 63 9.375 28.583 28.612 1.00 0.00 H new ATOM 0 HG23 ILE A 63 10.161 30.060 28.008 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.861 33.529 31.110 1.00 0.00 H new ATOM 0 HD12 ILE A 63 7.693 32.874 29.936 1.00 0.00 H new ATOM 0 HD13 ILE A 63 7.843 32.137 31.549 1.00 0.00 H new ATOM 1050 N ASP A 64 6.963 32.325 27.169 1.00 0.00 N ATOM 1051 CA ASP A 64 7.126 33.153 25.987 1.00 0.00 C ATOM 1052 C ASP A 64 6.057 34.248 25.986 1.00 0.00 C ATOM 1053 O ASP A 64 4.867 33.959 25.876 1.00 0.00 O ATOM 1054 CB ASP A 64 6.959 32.329 24.709 1.00 0.00 C ATOM 1055 CG ASP A 64 7.206 33.094 23.408 1.00 0.00 C ATOM 1056 OD1 ASP A 64 6.763 32.677 22.327 1.00 0.00 O ATOM 1057 OD2 ASP A 64 7.894 34.178 23.536 1.00 0.00 O ATOM 0 H ASP A 64 6.077 32.450 27.659 1.00 0.00 H new ATOM 0 HA ASP A 64 8.128 33.581 26.011 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.643 31.481 24.750 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.948 31.922 24.687 1.00 0.00 H new ATOM 1063 N TYR A 65 6.520 35.483 26.111 1.00 0.00 N ATOM 1064 CA TYR A 65 5.619 36.623 26.126 1.00 0.00 C ATOM 1065 C TYR A 65 4.797 36.690 24.836 1.00 0.00 C ATOM 1066 O TYR A 65 3.798 37.402 24.770 1.00 0.00 O ATOM 1067 CB TYR A 65 6.509 37.863 26.215 1.00 0.00 C ATOM 1068 CG TYR A 65 5.846 39.057 26.904 1.00 0.00 C ATOM 1069 CD1 TYR A 65 4.811 39.726 26.282 1.00 0.00 C ATOM 1070 CD2 TYR A 65 6.283 39.466 28.148 1.00 0.00 C ATOM 1071 CE1 TYR A 65 4.187 40.850 26.931 1.00 0.00 C ATOM 1072 CE2 TYR A 65 5.659 40.590 28.797 1.00 0.00 C ATOM 1073 CZ TYR A 65 4.642 41.226 28.157 1.00 0.00 C ATOM 1074 OH TYR A 65 4.052 42.287 28.770 1.00 0.00 O ATOM 0 H TYR A 65 7.508 35.719 26.203 1.00 0.00 H new ATOM 0 HA TYR A 65 4.921 36.549 26.960 1.00 0.00 H new ATOM 0 HB2 TYR A 65 7.420 37.605 26.755 1.00 0.00 H new ATOM 0 HB3 TYR A 65 6.807 38.157 25.208 1.00 0.00 H new ATOM 0 HD1 TYR A 65 4.469 39.406 25.309 1.00 0.00 H new ATOM 0 HD2 TYR A 65 7.093 38.943 28.635 1.00 0.00 H new ATOM 0 HE1 TYR A 65 3.376 41.382 26.456 1.00 0.00 H new ATOM 0 HE2 TYR A 65 5.991 40.920 29.770 1.00 0.00 H new ATOM 0 HH TYR A 65 3.897 42.075 29.714 1.00 0.00 H new ATOM 1084 N SER A 66 5.251 35.937 23.845 1.00 0.00 N ATOM 1085 CA SER A 66 4.571 35.902 22.561 1.00 0.00 C ATOM 1086 C SER A 66 3.106 35.505 22.756 1.00 0.00 C ATOM 1087 O SER A 66 2.257 35.821 21.923 1.00 0.00 O ATOM 1088 CB SER A 66 5.260 34.932 21.599 1.00 0.00 C ATOM 1089 OG SER A 66 4.594 33.674 21.540 1.00 0.00 O ATOM 0 H SER A 66 6.081 35.347 23.905 1.00 0.00 H new ATOM 0 HA SER A 66 4.616 36.899 22.123 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.292 35.372 20.602 1.00 0.00 H new ATOM 0 HB3 SER A 66 6.292 34.781 21.914 1.00 0.00 H new ATOM 0 HG SER A 66 5.232 32.956 21.735 1.00 0.00 H new ATOM 1095 N LEU A 67 2.854 34.818 23.860 1.00 0.00 N ATOM 1096 CA LEU A 67 1.506 34.374 24.175 1.00 0.00 C ATOM 1097 C LEU A 67 0.827 35.415 25.067 1.00 0.00 C ATOM 1098 O LEU A 67 -0.398 35.440 25.175 1.00 0.00 O ATOM 1099 CB LEU A 67 1.532 32.968 24.779 1.00 0.00 C ATOM 1100 CG LEU A 67 0.169 32.336 25.062 1.00 0.00 C ATOM 1101 CD1 LEU A 67 0.307 30.838 25.341 1.00 0.00 C ATOM 1102 CD2 LEU A 67 -0.549 33.066 26.199 1.00 0.00 C ATOM 0 H LEU A 67 3.560 34.558 24.548 1.00 0.00 H new ATOM 0 HA LEU A 67 0.909 34.294 23.267 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.081 32.313 24.102 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.094 33.005 25.712 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.448 32.443 24.170 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.677 30.413 25.539 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.747 30.345 24.474 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.949 30.687 26.209 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.516 32.596 26.380 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.055 33.013 27.105 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.699 34.110 25.924 1.00 0.00 H new ATOM 1114 N LEU A 68 1.653 36.248 25.684 1.00 0.00 N ATOM 1115 CA LEU A 68 1.147 37.288 26.563 1.00 0.00 C ATOM 1116 C LEU A 68 0.423 38.346 25.730 1.00 0.00 C ATOM 1117 O LEU A 68 -0.778 38.559 25.896 1.00 0.00 O ATOM 1118 CB LEU A 68 2.274 37.852 27.430 1.00 0.00 C ATOM 1119 CG LEU A 68 2.321 37.356 28.877 1.00 0.00 C ATOM 1120 CD1 LEU A 68 3.299 38.187 29.710 1.00 0.00 C ATOM 1121 CD2 LEU A 68 0.920 37.331 29.493 1.00 0.00 C ATOM 0 H LEU A 68 2.669 36.223 25.592 1.00 0.00 H new ATOM 0 HA LEU A 68 0.417 36.876 27.259 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.225 37.614 26.954 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.187 38.938 27.442 1.00 0.00 H new ATOM 0 HG LEU A 68 2.691 36.331 28.875 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.313 37.814 30.734 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.298 38.110 29.282 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.983 39.230 29.709 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.981 36.975 30.521 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.500 38.337 29.482 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.280 36.664 28.915 1.00 0.00 H new ATOM 1133 N ALA A 69 1.182 38.985 24.852 1.00 0.00 N ATOM 1134 CA ALA A 69 0.629 40.017 23.993 1.00 0.00 C ATOM 1135 C ALA A 69 -0.592 39.459 23.256 1.00 0.00 C ATOM 1136 O ALA A 69 -1.433 40.220 22.778 1.00 0.00 O ATOM 1137 CB ALA A 69 1.710 40.517 23.034 1.00 0.00 C ATOM 0 H ALA A 69 2.177 38.807 24.717 1.00 0.00 H new ATOM 0 HA ALA A 69 0.297 40.871 24.583 1.00 0.00 H new ATOM 0 HB1 ALA A 69 1.295 41.292 22.389 1.00 0.00 H new ATOM 0 HB2 ALA A 69 2.542 40.928 23.606 1.00 0.00 H new ATOM 0 HB3 ALA A 69 2.065 39.688 22.422 1.00 0.00 H new ATOM 1143 N SER A 70 -0.649 38.138 23.188 1.00 0.00 N ATOM 1144 CA SER A 70 -1.752 37.470 22.518 1.00 0.00 C ATOM 1145 C SER A 70 -3.032 37.618 23.342 1.00 0.00 C ATOM 1146 O SER A 70 -4.112 37.824 22.789 1.00 0.00 O ATOM 1147 CB SER A 70 -1.441 35.991 22.282 1.00 0.00 C ATOM 1148 OG SER A 70 -1.758 35.583 20.955 1.00 0.00 O ATOM 0 H SER A 70 0.051 37.511 23.586 1.00 0.00 H new ATOM 0 HA SER A 70 -1.896 37.942 21.546 1.00 0.00 H new ATOM 0 HB2 SER A 70 -0.384 35.808 22.475 1.00 0.00 H new ATOM 0 HB3 SER A 70 -2.004 35.385 22.992 1.00 0.00 H new ATOM 0 HG SER A 70 -1.543 34.633 20.845 1.00 0.00 H new ATOM 1154 N LEU A 71 -2.870 37.508 24.653 1.00 0.00 N ATOM 1155 CA LEU A 71 -3.999 37.627 25.560 1.00 0.00 C ATOM 1156 C LEU A 71 -4.673 38.985 25.352 1.00 0.00 C ATOM 1157 O LEU A 71 -5.900 39.080 25.349 1.00 0.00 O ATOM 1158 CB LEU A 71 -3.557 37.374 27.002 1.00 0.00 C ATOM 1159 CG LEU A 71 -4.095 36.098 27.654 1.00 0.00 C ATOM 1160 CD1 LEU A 71 -2.987 35.055 27.815 1.00 0.00 C ATOM 1161 CD2 LEU A 71 -4.784 36.412 28.984 1.00 0.00 C ATOM 0 H LEU A 71 -1.973 37.338 25.109 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.745 36.863 25.342 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.468 37.340 27.027 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.863 38.226 27.610 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.848 35.668 26.994 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.396 34.158 28.281 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.580 34.802 26.836 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.194 35.461 28.443 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.158 35.489 29.427 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.069 36.877 29.663 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.616 37.094 28.810 1.00 0.00 H new ATOM 1173 N ILE A 72 -3.842 40.003 25.185 1.00 0.00 N ATOM 1174 CA ILE A 72 -4.342 41.352 24.978 1.00 0.00 C ATOM 1175 C ILE A 72 -5.303 41.357 23.788 1.00 0.00 C ATOM 1176 O ILE A 72 -4.902 41.078 22.659 1.00 0.00 O ATOM 1177 CB ILE A 72 -3.181 42.338 24.835 1.00 0.00 C ATOM 1178 CG1 ILE A 72 -2.161 42.150 25.960 1.00 0.00 C ATOM 1179 CG2 ILE A 72 -3.692 43.778 24.756 1.00 0.00 C ATOM 1180 CD1 ILE A 72 -1.228 43.359 26.060 1.00 0.00 C ATOM 0 H ILE A 72 -2.825 39.921 25.189 1.00 0.00 H new ATOM 0 HA ILE A 72 -4.908 41.686 25.847 1.00 0.00 H new ATOM 0 HB ILE A 72 -2.667 42.128 23.897 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.681 42.008 26.907 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.576 41.248 25.779 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.847 44.459 24.655 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -4.349 43.884 23.893 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -4.245 44.018 25.664 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.513 43.201 26.867 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.692 43.484 25.119 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.814 44.255 26.265 1.00 0.00 H new ATOM 1192 N PRO A 73 -6.589 41.685 24.089 1.00 0.00 N ATOM 1193 CA PRO A 73 -7.611 41.731 23.057 1.00 0.00 C ATOM 1194 C PRO A 73 -7.458 42.981 22.189 1.00 0.00 C ATOM 1195 O PRO A 73 -8.435 43.680 21.922 1.00 0.00 O ATOM 1196 CB PRO A 73 -8.931 41.688 23.809 1.00 0.00 C ATOM 1197 CG PRO A 73 -8.609 42.088 25.239 1.00 0.00 C ATOM 1198 CD PRO A 73 -7.100 42.021 25.415 1.00 0.00 C ATOM 0 HA PRO A 73 -7.539 40.899 22.357 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -9.655 42.371 23.366 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -9.369 40.691 23.772 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -8.973 43.095 25.445 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -9.105 41.420 25.943 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.699 42.972 25.765 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -6.820 41.267 26.151 1.00 0.00 H new ATOM 1206 N LYS A 74 -6.225 43.226 21.772 1.00 0.00 N ATOM 1207 CA LYS A 74 -5.931 44.379 20.939 1.00 0.00 C ATOM 1208 C LYS A 74 -6.930 45.496 21.251 1.00 0.00 C ATOM 1209 O LYS A 74 -7.986 45.582 20.624 1.00 0.00 O ATOM 1210 CB LYS A 74 -5.897 43.979 19.462 1.00 0.00 C ATOM 1211 CG LYS A 74 -4.523 43.430 19.075 1.00 0.00 C ATOM 1212 CD LYS A 74 -4.473 41.911 19.246 1.00 0.00 C ATOM 1213 CE LYS A 74 -4.915 41.199 17.965 1.00 0.00 C ATOM 1214 NZ LYS A 74 -3.809 40.381 17.418 1.00 0.00 N ATOM 0 H LYS A 74 -5.417 42.645 21.996 1.00 0.00 H new ATOM 0 HA LYS A 74 -4.937 44.767 21.163 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.661 43.227 19.268 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -6.135 44.843 18.842 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.301 43.691 18.040 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -3.754 43.895 19.692 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -3.460 41.604 19.506 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -5.118 41.613 20.073 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -5.776 40.564 18.174 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -5.232 41.933 17.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -4.126 39.905 16.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -2.998 40.995 17.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -3.525 39.668 18.120 1.00 0.00 H new ATOM 1227 N GLY A 75 -6.563 46.322 22.218 1.00 0.00 N ATOM 1228 CA GLY A 75 -7.413 47.429 22.622 1.00 0.00 C ATOM 1229 C GLY A 75 -7.564 47.479 24.144 1.00 0.00 C ATOM 1230 O GLY A 75 -8.212 48.378 24.677 1.00 0.00 O ATOM 0 H GLY A 75 -5.687 46.247 22.735 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -6.989 48.367 22.264 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -8.394 47.326 22.159 1.00 0.00 H new ATOM 1234 N TYR A 76 -6.954 46.502 24.799 1.00 0.00 N ATOM 1235 CA TYR A 76 -7.012 46.424 26.249 1.00 0.00 C ATOM 1236 C TYR A 76 -6.968 47.818 26.876 1.00 0.00 C ATOM 1237 O TYR A 76 -6.464 48.761 26.267 1.00 0.00 O ATOM 1238 CB TYR A 76 -5.768 45.645 26.679 1.00 0.00 C ATOM 1239 CG TYR A 76 -6.011 44.671 27.834 1.00 0.00 C ATOM 1240 CD1 TYR A 76 -7.163 43.911 27.863 1.00 0.00 C ATOM 1241 CD2 TYR A 76 -5.080 44.551 28.845 1.00 0.00 C ATOM 1242 CE1 TYR A 76 -7.393 42.995 28.950 1.00 0.00 C ATOM 1243 CE2 TYR A 76 -5.310 43.635 29.932 1.00 0.00 C ATOM 1244 CZ TYR A 76 -6.455 42.902 29.931 1.00 0.00 C ATOM 1245 OH TYR A 76 -6.671 42.036 30.957 1.00 0.00 O ATOM 0 H TYR A 76 -6.417 45.758 24.353 1.00 0.00 H new ATOM 0 HA TYR A 76 -7.937 45.946 26.571 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -5.386 45.089 25.823 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -4.992 46.352 26.971 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -7.891 44.003 27.071 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -4.178 45.145 28.821 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -8.290 42.395 28.986 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -4.589 43.533 30.730 1.00 0.00 H new ATOM 0 HH TYR A 76 -5.917 42.075 31.582 1.00 0.00 H new ATOM 1255 N PRO A 77 -7.517 47.909 28.117 1.00 0.00 N ATOM 1256 CA PRO A 77 -7.546 49.173 28.832 1.00 0.00 C ATOM 1257 C PRO A 77 -6.161 49.522 29.382 1.00 0.00 C ATOM 1258 O PRO A 77 -5.170 48.886 29.029 1.00 0.00 O ATOM 1259 CB PRO A 77 -8.587 48.984 29.924 1.00 0.00 C ATOM 1260 CG PRO A 77 -8.767 47.482 30.072 1.00 0.00 C ATOM 1261 CD PRO A 77 -8.124 46.814 28.868 1.00 0.00 C ATOM 0 HA PRO A 77 -7.809 50.014 28.190 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -8.256 49.432 30.861 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -9.527 49.466 29.655 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -8.305 47.131 30.995 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -9.826 47.228 30.129 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -7.377 46.081 29.174 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -8.863 46.284 28.267 1.00 0.00 H new ATOM 1269 N GLY A 78 -6.137 50.534 30.238 1.00 0.00 N ATOM 1270 CA GLY A 78 -4.891 50.976 30.840 1.00 0.00 C ATOM 1271 C GLY A 78 -3.812 51.184 29.775 1.00 0.00 C ATOM 1272 O GLY A 78 -4.084 51.077 28.580 1.00 0.00 O ATOM 0 H GLY A 78 -6.961 51.060 30.529 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -5.055 51.907 31.383 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -4.552 50.238 31.567 1.00 0.00 H new ATOM 1276 N ARG A 79 -2.609 51.475 30.247 1.00 0.00 N ATOM 1277 CA ARG A 79 -1.487 51.698 29.351 1.00 0.00 C ATOM 1278 C ARG A 79 -0.583 50.464 29.314 1.00 0.00 C ATOM 1279 O ARG A 79 0.585 50.557 28.941 1.00 0.00 O ATOM 1280 CB ARG A 79 -0.664 52.912 29.790 1.00 0.00 C ATOM 1281 CG ARG A 79 -1.174 54.190 29.122 1.00 0.00 C ATOM 1282 CD ARG A 79 -2.201 54.899 30.008 1.00 0.00 C ATOM 1283 NE ARG A 79 -1.580 56.075 30.659 1.00 0.00 N ATOM 1284 CZ ARG A 79 -1.160 57.172 29.997 1.00 0.00 C ATOM 1285 NH1 ARG A 79 -1.288 57.255 28.656 1.00 0.00 N ATOM 1286 NH2 ARG A 79 -0.619 58.165 30.680 1.00 0.00 N ATOM 0 H ARG A 79 -2.387 51.562 31.239 1.00 0.00 H new ATOM 0 HA ARG A 79 -1.890 51.887 28.356 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -0.715 53.018 30.874 1.00 0.00 H new ATOM 0 HB3 ARG A 79 0.384 52.757 29.534 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -0.337 54.859 28.922 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -1.625 53.947 28.160 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -3.055 55.213 29.409 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -2.578 54.211 30.764 1.00 0.00 H new ATOM 0 HE ARG A 79 -1.463 56.054 31.672 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -1.705 56.484 28.135 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -0.967 58.089 28.164 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -0.524 58.095 31.693 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -0.296 59.002 30.194 1.00 0.00 H new ATOM 1299 N VAL A 80 -1.158 49.337 29.708 1.00 0.00 N ATOM 1300 CA VAL A 80 -0.419 48.086 29.724 1.00 0.00 C ATOM 1301 C VAL A 80 0.076 47.771 28.311 1.00 0.00 C ATOM 1302 O VAL A 80 1.233 47.402 28.123 1.00 0.00 O ATOM 1303 CB VAL A 80 -1.287 46.974 30.316 1.00 0.00 C ATOM 1304 CG1 VAL A 80 -1.404 45.796 29.346 1.00 0.00 C ATOM 1305 CG2 VAL A 80 -0.745 46.517 31.671 1.00 0.00 C ATOM 0 H VAL A 80 -2.127 49.264 30.018 1.00 0.00 H new ATOM 0 HA VAL A 80 0.460 48.170 30.363 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.287 47.378 30.475 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.026 45.019 29.791 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.857 46.135 28.415 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.412 45.394 29.141 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -1.381 45.726 32.069 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.270 46.139 31.548 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.737 47.359 32.363 1.00 0.00 H new ATOM 1315 N VAL A 81 -0.827 47.931 27.354 1.00 0.00 N ATOM 1316 CA VAL A 81 -0.498 47.668 25.963 1.00 0.00 C ATOM 1317 C VAL A 81 0.500 48.720 25.473 1.00 0.00 C ATOM 1318 O VAL A 81 1.428 48.402 24.731 1.00 0.00 O ATOM 1319 CB VAL A 81 -1.775 47.617 25.124 1.00 0.00 C ATOM 1320 CG1 VAL A 81 -1.495 47.041 23.735 1.00 0.00 C ATOM 1321 CG2 VAL A 81 -2.870 46.822 25.837 1.00 0.00 C ATOM 0 H VAL A 81 -1.786 48.239 27.515 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.020 46.694 25.860 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.133 48.639 24.998 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.420 47.016 23.158 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -0.765 47.667 23.222 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -1.101 46.030 23.833 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -3.767 46.802 25.218 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -2.525 45.802 26.010 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.099 47.294 26.792 1.00 0.00 H new ATOM 1331 N GLU A 82 0.275 49.950 25.908 1.00 0.00 N ATOM 1332 CA GLU A 82 1.141 51.051 25.522 1.00 0.00 C ATOM 1333 C GLU A 82 2.593 50.737 25.891 1.00 0.00 C ATOM 1334 O GLU A 82 3.520 51.284 25.297 1.00 0.00 O ATOM 1335 CB GLU A 82 0.684 52.361 26.166 1.00 0.00 C ATOM 1336 CG GLU A 82 -0.299 53.104 25.258 1.00 0.00 C ATOM 1337 CD GLU A 82 -0.106 54.618 25.364 1.00 0.00 C ATOM 1338 OE1 GLU A 82 0.196 55.277 24.358 1.00 0.00 O ATOM 1339 OE2 GLU A 82 -0.283 55.109 26.544 1.00 0.00 O ATOM 0 H GLU A 82 -0.495 50.209 26.525 1.00 0.00 H new ATOM 0 HA GLU A 82 1.078 51.175 24.441 1.00 0.00 H new ATOM 0 HB2 GLU A 82 0.212 52.153 27.126 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.549 52.993 26.366 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -0.156 52.787 24.225 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -1.321 52.844 25.533 1.00 0.00 H new ATOM 1347 N ILE A 83 2.744 49.857 26.869 1.00 0.00 N ATOM 1348 CA ILE A 83 4.067 49.464 27.324 1.00 0.00 C ATOM 1349 C ILE A 83 4.520 48.223 26.551 1.00 0.00 C ATOM 1350 O ILE A 83 5.632 48.184 26.028 1.00 0.00 O ATOM 1351 CB ILE A 83 4.079 49.280 28.843 1.00 0.00 C ATOM 1352 CG1 ILE A 83 3.386 50.452 29.543 1.00 0.00 C ATOM 1353 CG2 ILE A 83 5.504 49.066 29.359 1.00 0.00 C ATOM 1354 CD1 ILE A 83 2.580 49.971 30.750 1.00 0.00 C ATOM 0 H ILE A 83 1.972 49.405 27.359 1.00 0.00 H new ATOM 0 HA ILE A 83 4.791 50.252 27.116 1.00 0.00 H new ATOM 0 HB ILE A 83 3.512 48.381 29.082 1.00 0.00 H new ATOM 0 HG12 ILE A 83 4.131 51.179 29.865 1.00 0.00 H new ATOM 0 HG13 ILE A 83 2.726 50.961 28.840 1.00 0.00 H new ATOM 0 HG21 ILE A 83 5.484 48.938 30.441 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.929 48.175 28.896 1.00 0.00 H new ATOM 0 HG23 ILE A 83 6.116 49.932 29.108 1.00 0.00 H new ATOM 0 HD11 ILE A 83 2.098 50.823 31.229 1.00 0.00 H new ATOM 0 HD12 ILE A 83 1.820 49.262 30.421 1.00 0.00 H new ATOM 0 HD13 ILE A 83 3.246 49.484 31.462 1.00 0.00 H new ATOM 1366 N ILE A 84 3.634 47.240 26.504 1.00 0.00 N ATOM 1367 CA ILE A 84 3.928 46.001 25.803 1.00 0.00 C ATOM 1368 C ILE A 84 4.207 46.307 24.330 1.00 0.00 C ATOM 1369 O ILE A 84 5.147 45.769 23.749 1.00 0.00 O ATOM 1370 CB ILE A 84 2.805 44.984 26.018 1.00 0.00 C ATOM 1371 CG1 ILE A 84 2.625 44.671 27.506 1.00 0.00 C ATOM 1372 CG2 ILE A 84 3.045 43.719 25.192 1.00 0.00 C ATOM 1373 CD1 ILE A 84 1.457 43.709 27.726 1.00 0.00 C ATOM 0 H ILE A 84 2.712 47.276 26.940 1.00 0.00 H new ATOM 0 HA ILE A 84 4.828 45.538 26.209 1.00 0.00 H new ATOM 0 HB ILE A 84 1.873 45.426 25.667 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.541 44.233 27.903 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.449 45.595 28.057 1.00 0.00 H new ATOM 0 HG21 ILE A 84 2.232 43.013 25.363 1.00 0.00 H new ATOM 0 HG22 ILE A 84 3.084 43.977 24.134 1.00 0.00 H new ATOM 0 HG23 ILE A 84 3.990 43.264 25.490 1.00 0.00 H new ATOM 0 HD11 ILE A 84 1.351 43.503 28.791 1.00 0.00 H new ATOM 0 HD12 ILE A 84 0.539 44.160 27.350 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.648 42.777 27.194 1.00 0.00 H new ATOM 1385 N ASN A 85 3.372 47.169 23.770 1.00 0.00 N ATOM 1386 CA ASN A 85 3.516 47.553 22.375 1.00 0.00 C ATOM 1387 C ASN A 85 4.956 48.003 22.123 1.00 0.00 C ATOM 1388 O ASN A 85 5.515 47.743 21.058 1.00 0.00 O ATOM 1389 CB ASN A 85 2.588 48.716 22.026 1.00 0.00 C ATOM 1390 CG ASN A 85 2.933 49.301 20.654 1.00 0.00 C ATOM 1391 OD1 ASN A 85 3.176 48.591 19.692 1.00 0.00 O ATOM 1392 ND2 ASN A 85 2.943 50.631 20.619 1.00 0.00 N ATOM 0 H ASN A 85 2.593 47.613 24.256 1.00 0.00 H new ATOM 0 HA ASN A 85 3.260 46.691 21.758 1.00 0.00 H new ATOM 0 HB2 ASN A 85 1.553 48.374 22.029 1.00 0.00 H new ATOM 0 HB3 ASN A 85 2.670 49.492 22.787 1.00 0.00 H new ATOM 0 HD21 ASN A 85 3.164 51.117 19.750 1.00 0.00 H new ATOM 0 HD22 ASN A 85 2.730 51.165 21.462 1.00 0.00 H new ATOM 1399 N ILE A 86 5.516 48.674 23.119 1.00 0.00 N ATOM 1400 CA ILE A 86 6.881 49.164 23.018 1.00 0.00 C ATOM 1401 C ILE A 86 7.844 47.977 22.985 1.00 0.00 C ATOM 1402 O ILE A 86 8.953 48.085 22.464 1.00 0.00 O ATOM 1403 CB ILE A 86 7.175 50.164 24.137 1.00 0.00 C ATOM 1404 CG1 ILE A 86 6.623 51.550 23.795 1.00 0.00 C ATOM 1405 CG2 ILE A 86 8.671 50.207 24.455 1.00 0.00 C ATOM 1406 CD1 ILE A 86 6.334 52.354 25.064 1.00 0.00 C ATOM 0 H ILE A 86 5.050 48.890 24.000 1.00 0.00 H new ATOM 0 HA ILE A 86 7.021 49.713 22.087 1.00 0.00 H new ATOM 0 HB ILE A 86 6.663 49.827 25.038 1.00 0.00 H new ATOM 0 HG12 ILE A 86 7.340 52.088 23.175 1.00 0.00 H new ATOM 0 HG13 ILE A 86 5.709 51.447 23.210 1.00 0.00 H new ATOM 0 HG21 ILE A 86 8.853 50.926 25.254 1.00 0.00 H new ATOM 0 HG22 ILE A 86 9.004 49.219 24.773 1.00 0.00 H new ATOM 0 HG23 ILE A 86 9.224 50.507 23.565 1.00 0.00 H new ATOM 0 HD11 ILE A 86 5.943 53.334 24.792 1.00 0.00 H new ATOM 0 HD12 ILE A 86 5.598 51.825 25.670 1.00 0.00 H new ATOM 0 HD13 ILE A 86 7.254 52.476 25.635 1.00 0.00 H new ATOM 1418 N LEU A 87 7.385 46.867 23.548 1.00 0.00 N ATOM 1419 CA LEU A 87 8.192 45.661 23.589 1.00 0.00 C ATOM 1420 C LEU A 87 8.224 45.025 22.198 1.00 0.00 C ATOM 1421 O LEU A 87 9.284 44.627 21.718 1.00 0.00 O ATOM 1422 CB LEU A 87 7.690 44.718 24.685 1.00 0.00 C ATOM 1423 CG LEU A 87 7.460 45.349 26.059 1.00 0.00 C ATOM 1424 CD1 LEU A 87 6.885 44.327 27.042 1.00 0.00 C ATOM 1425 CD2 LEU A 87 8.744 45.993 26.588 1.00 0.00 C ATOM 0 H LEU A 87 6.465 46.779 23.979 1.00 0.00 H new ATOM 0 HA LEU A 87 9.222 45.901 23.853 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.754 44.271 24.351 1.00 0.00 H new ATOM 0 HB3 LEU A 87 8.409 43.906 24.796 1.00 0.00 H new ATOM 0 HG LEU A 87 6.721 46.143 25.951 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.731 44.801 28.011 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.933 43.955 26.664 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.581 43.496 27.151 1.00 0.00 H new ATOM 0 HD21 LEU A 87 8.553 46.434 27.566 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.521 45.234 26.678 1.00 0.00 H new ATOM 0 HD23 LEU A 87 9.073 46.770 25.897 1.00 0.00 H new ATOM 1437 N VAL A 88 7.050 44.950 21.590 1.00 0.00 N ATOM 1438 CA VAL A 88 6.929 44.370 20.263 1.00 0.00 C ATOM 1439 C VAL A 88 7.715 45.222 19.265 1.00 0.00 C ATOM 1440 O VAL A 88 8.513 44.699 18.489 1.00 0.00 O ATOM 1441 CB VAL A 88 5.453 44.219 19.889 1.00 0.00 C ATOM 1442 CG1 VAL A 88 5.281 44.100 18.374 1.00 0.00 C ATOM 1443 CG2 VAL A 88 4.825 43.024 20.608 1.00 0.00 C ATOM 0 H VAL A 88 6.173 45.281 21.992 1.00 0.00 H new ATOM 0 HA VAL A 88 7.358 43.368 20.244 1.00 0.00 H new ATOM 0 HB VAL A 88 4.931 45.118 20.216 1.00 0.00 H new ATOM 0 HG11 VAL A 88 4.223 43.994 18.135 1.00 0.00 H new ATOM 0 HG12 VAL A 88 5.674 44.995 17.892 1.00 0.00 H new ATOM 0 HG13 VAL A 88 5.824 43.226 18.014 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.776 42.939 20.325 1.00 0.00 H new ATOM 0 HG22 VAL A 88 5.352 42.112 20.327 1.00 0.00 H new ATOM 0 HG23 VAL A 88 4.899 43.168 21.686 1.00 0.00 H new ATOM 1453 N LYS A 89 7.461 46.522 19.317 1.00 0.00 N ATOM 1454 CA LYS A 89 8.134 47.452 18.428 1.00 0.00 C ATOM 1455 C LYS A 89 9.648 47.292 18.581 1.00 0.00 C ATOM 1456 O LYS A 89 10.410 47.694 17.702 1.00 0.00 O ATOM 1457 CB LYS A 89 7.640 48.879 18.670 1.00 0.00 C ATOM 1458 CG LYS A 89 7.475 49.635 17.350 1.00 0.00 C ATOM 1459 CD LYS A 89 8.833 50.068 16.793 1.00 0.00 C ATOM 1460 CE LYS A 89 8.791 51.521 16.315 1.00 0.00 C ATOM 1461 NZ LYS A 89 8.068 51.621 15.027 1.00 0.00 N ATOM 0 H LYS A 89 6.798 46.952 19.962 1.00 0.00 H new ATOM 0 HA LYS A 89 7.892 47.228 17.389 1.00 0.00 H new ATOM 0 HB2 LYS A 89 6.688 48.853 19.199 1.00 0.00 H new ATOM 0 HB3 LYS A 89 8.346 49.408 19.310 1.00 0.00 H new ATOM 0 HG2 LYS A 89 6.966 49.001 16.625 1.00 0.00 H new ATOM 0 HG3 LYS A 89 6.845 50.511 17.505 1.00 0.00 H new ATOM 0 HD2 LYS A 89 9.598 49.956 17.562 1.00 0.00 H new ATOM 0 HD3 LYS A 89 9.115 49.417 15.965 1.00 0.00 H new ATOM 0 HE2 LYS A 89 8.300 52.143 17.064 1.00 0.00 H new ATOM 0 HE3 LYS A 89 9.806 51.902 16.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 8.048 52.613 14.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 8.553 51.043 14.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 7.094 51.277 15.148 1.00 0.00 H new ATOM 1474 N ASN A 90 10.040 46.705 19.702 1.00 0.00 N ATOM 1475 CA ASN A 90 11.448 46.487 19.981 1.00 0.00 C ATOM 1476 C ASN A 90 11.795 45.020 19.720 1.00 0.00 C ATOM 1477 O ASN A 90 12.728 44.483 20.314 1.00 0.00 O ATOM 1478 CB ASN A 90 11.775 46.797 21.443 1.00 0.00 C ATOM 1479 CG ASN A 90 13.045 47.644 21.554 1.00 0.00 C ATOM 1480 OD1 ASN A 90 14.148 47.193 21.292 1.00 0.00 O ATOM 1481 ND2 ASN A 90 12.828 48.894 21.954 1.00 0.00 N ATOM 0 H ASN A 90 9.405 46.373 20.428 1.00 0.00 H new ATOM 0 HA ASN A 90 12.025 47.148 19.334 1.00 0.00 H new ATOM 0 HB2 ASN A 90 10.940 47.326 21.902 1.00 0.00 H new ATOM 0 HB3 ASN A 90 11.905 45.866 21.995 1.00 0.00 H new ATOM 0 HD21 ASN A 90 13.611 49.539 22.058 1.00 0.00 H new ATOM 0 HD22 ASN A 90 11.879 49.207 22.157 1.00 0.00 H new