USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 581 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 51 TYR OH : rot 180:sc= 0.0122 USER MOD Set 1.2: A 92 GLN : amide:sc= -0.672 K(o=-0.66,f=0.098) USER MOD Set 2.1: A 60 ASN : amide:sc= -0.131 X(o=-0.63,f=-0.83) USER MOD Set 2.2: A 61 SER OG : rot 34:sc= -0.496 USER MOD Single : A 23 LYS NZ :NH3+ 173:sc= 2.2 (180deg=1.97) USER MOD Single : A 25 LYS NZ :NH3+ 155:sc= -0.0894 (180deg=-0.493) USER MOD Single : A 29 GLN : amide:sc= -5.55! C(o=-5.6!,f=-12!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= 0.15 K(o=0.15,f=-4.6!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -143:sc= -2.13! (180deg=-4.43!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot -160:sc= 0 USER MOD Single : A 43 HIS : no HE2:sc= -0.421 K(o=-0.42,f=-1.2) USER MOD Single : A 45 LYS NZ :NH3+ -130:sc= 0.828 (180deg=-1.84!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -107:sc= -2.08! (180deg=-4.54!) USER MOD Single : A 50 SER OG : rot 75:sc= 0.501 USER MOD Single : A 52 CYS SG : rot 68:sc= 0.969 USER MOD Single : A 53 GLN : amide:sc= 0.0268 X(o=0.027,f=-5e-05) USER MOD Single : A 55 GLN : amide:sc= 0.243 K(o=0.24,f=-1.3) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -2.34! C(o=-2.3!,f=-2.1!) USER MOD Single : A 74 ASN : amide:sc=-2.44e-05 X(o=-2.4e-05,f=-0.0066) USER MOD Single : A 75 HIS : no HD1:sc= -2.5! C(o=-2.5!,f=-5.6!) USER MOD Single : A 76 THR OG1 : rot -120:sc= -4.74! USER MOD Single : A 78 LYS NZ :NH3+ -177:sc= 1.18 (180deg=1.13) USER MOD Single : A 82 MET CE :methyl -178:sc= -5.15! (180deg=-5.27!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 311 N ILE A 22 -10.206 7.356 7.116 1.00 0.00 N ATOM 312 CA ILE A 22 -10.314 7.215 5.685 1.00 0.00 C ATOM 313 C ILE A 22 -10.279 5.741 5.310 1.00 0.00 C ATOM 314 O ILE A 22 -9.576 4.960 5.915 1.00 0.00 O ATOM 315 CB ILE A 22 -9.168 8.004 4.959 1.00 0.00 C ATOM 316 CG1 ILE A 22 -8.777 7.350 3.630 1.00 0.00 C ATOM 317 CG2 ILE A 22 -7.951 8.154 5.860 1.00 0.00 C ATOM 318 CD1 ILE A 22 -7.740 8.130 2.853 1.00 0.00 C ATOM 0 HA ILE A 22 -11.265 7.638 5.360 1.00 0.00 H new ATOM 0 HB ILE A 22 -9.556 8.998 4.735 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -8.394 6.348 3.826 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -9.669 7.235 3.015 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.173 8.704 5.332 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -8.231 8.698 6.762 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.576 7.167 6.133 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -7.512 7.607 1.924 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -8.127 9.123 2.625 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.832 8.223 3.449 1.00 0.00 H new ATOM 330 N LYS A 23 -11.070 5.347 4.347 1.00 0.00 N ATOM 331 CA LYS A 23 -11.076 3.969 3.915 1.00 0.00 C ATOM 332 C LYS A 23 -10.420 3.859 2.551 1.00 0.00 C ATOM 333 O LYS A 23 -10.568 4.741 1.725 1.00 0.00 O ATOM 334 CB LYS A 23 -12.505 3.418 3.883 1.00 0.00 C ATOM 335 CG LYS A 23 -13.440 4.142 2.927 1.00 0.00 C ATOM 336 CD LYS A 23 -14.832 3.545 2.982 1.00 0.00 C ATOM 337 CE LYS A 23 -15.680 3.985 1.805 1.00 0.00 C ATOM 338 NZ LYS A 23 -16.142 5.398 1.908 1.00 0.00 N ATOM 0 H LYS A 23 -11.717 5.956 3.847 1.00 0.00 H new ATOM 0 HA LYS A 23 -10.507 3.371 4.626 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -12.468 2.364 3.607 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -12.923 3.469 4.888 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -13.483 5.200 3.184 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -13.051 4.076 1.911 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -14.761 2.457 2.992 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -15.318 3.842 3.911 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -15.106 3.864 0.887 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -16.548 3.331 1.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -16.614 5.674 1.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -16.810 5.488 2.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -15.324 6.019 2.073 1.00 0.00 H new ATOM 352 N LEU A 24 -9.673 2.806 2.321 1.00 0.00 N ATOM 353 CA LEU A 24 -9.008 2.620 1.036 1.00 0.00 C ATOM 354 C LEU A 24 -9.155 1.196 0.538 1.00 0.00 C ATOM 355 O LEU A 24 -9.411 0.271 1.316 1.00 0.00 O ATOM 356 CB LEU A 24 -7.518 2.977 1.133 1.00 0.00 C ATOM 357 CG LEU A 24 -7.190 4.464 1.313 1.00 0.00 C ATOM 358 CD1 LEU A 24 -5.691 4.662 1.424 1.00 0.00 C ATOM 359 CD2 LEU A 24 -7.750 5.279 0.152 1.00 0.00 C ATOM 0 H LEU A 24 -9.505 2.062 2.999 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.491 3.290 0.324 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.087 2.427 1.970 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.021 2.623 0.230 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.656 4.813 2.234 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.472 5.722 1.551 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.313 4.108 2.283 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.208 4.298 0.517 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.508 6.332 0.296 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -7.311 4.930 -0.783 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -8.832 5.158 0.111 1.00 0.00 H new ATOM 371 N LYS A 25 -9.007 1.011 -0.761 1.00 0.00 N ATOM 372 CA LYS A 25 -9.058 -0.305 -1.339 1.00 0.00 C ATOM 373 C LYS A 25 -7.853 -0.550 -2.217 1.00 0.00 C ATOM 374 O LYS A 25 -7.508 0.256 -3.084 1.00 0.00 O ATOM 375 CB LYS A 25 -10.383 -0.539 -2.098 1.00 0.00 C ATOM 376 CG LYS A 25 -10.399 -1.765 -3.032 1.00 0.00 C ATOM 377 CD LYS A 25 -10.018 -1.391 -4.457 1.00 0.00 C ATOM 378 CE LYS A 25 -10.630 -2.335 -5.476 1.00 0.00 C ATOM 379 NZ LYS A 25 -12.117 -2.267 -5.486 1.00 0.00 N ATOM 0 H LYS A 25 -8.850 1.763 -1.432 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.028 -1.032 -0.528 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.186 -0.648 -1.369 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.606 0.350 -2.688 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.707 -2.518 -2.656 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.392 -2.214 -3.027 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -10.345 -0.372 -4.664 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -8.933 -1.404 -4.557 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.250 -2.091 -6.468 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -10.316 -3.356 -5.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.472 -2.566 -6.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.498 -2.897 -4.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.421 -1.291 -5.297 1.00 0.00 H new ATOM 393 N VAL A 26 -7.194 -1.648 -1.971 1.00 0.00 N ATOM 394 CA VAL A 26 -6.060 -2.040 -2.755 1.00 0.00 C ATOM 395 C VAL A 26 -6.511 -3.021 -3.814 1.00 0.00 C ATOM 396 O VAL A 26 -7.252 -3.962 -3.523 1.00 0.00 O ATOM 397 CB VAL A 26 -4.941 -2.668 -1.882 1.00 0.00 C ATOM 398 CG1 VAL A 26 -3.842 -3.255 -2.753 1.00 0.00 C ATOM 399 CG2 VAL A 26 -4.364 -1.633 -0.932 1.00 0.00 C ATOM 0 H VAL A 26 -7.430 -2.296 -1.220 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.639 -1.150 -3.222 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.381 -3.474 -1.295 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.069 -3.689 -2.119 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.262 -4.029 -3.396 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.407 -2.468 -3.369 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.581 -2.091 -0.328 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.944 -0.807 -1.506 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.153 -1.258 -0.280 1.00 0.00 H new ATOM 409 N ILE A 27 -6.102 -2.794 -5.039 1.00 0.00 N ATOM 410 CA ILE A 27 -6.478 -3.651 -6.133 1.00 0.00 C ATOM 411 C ILE A 27 -5.254 -3.988 -6.977 1.00 0.00 C ATOM 412 O ILE A 27 -4.291 -3.232 -7.015 1.00 0.00 O ATOM 413 CB ILE A 27 -7.574 -2.988 -7.016 1.00 0.00 C ATOM 414 CG1 ILE A 27 -8.116 -3.982 -8.050 1.00 0.00 C ATOM 415 CG2 ILE A 27 -7.042 -1.729 -7.699 1.00 0.00 C ATOM 416 CD1 ILE A 27 -9.212 -3.419 -8.929 1.00 0.00 C ATOM 0 H ILE A 27 -5.502 -2.013 -5.303 1.00 0.00 H new ATOM 0 HA ILE A 27 -6.891 -4.570 -5.718 1.00 0.00 H new ATOM 0 HB ILE A 27 -8.397 -2.693 -6.364 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -7.294 -4.318 -8.682 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -8.497 -4.861 -7.529 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -7.829 -1.286 -8.310 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -6.723 -1.012 -6.943 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -6.194 -1.989 -8.333 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -9.542 -4.183 -9.633 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -10.053 -3.110 -8.309 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -8.831 -2.558 -9.479 1.00 0.00 H new ATOM 428 N GLY A 28 -5.275 -5.137 -7.616 1.00 0.00 N ATOM 429 CA GLY A 28 -4.175 -5.530 -8.465 1.00 0.00 C ATOM 430 C GLY A 28 -4.649 -5.988 -9.819 1.00 0.00 C ATOM 431 O GLY A 28 -5.854 -6.096 -10.054 1.00 0.00 O ATOM 0 H GLY A 28 -6.038 -5.812 -7.564 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.490 -4.690 -8.585 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -3.615 -6.333 -7.986 1.00 0.00 H new ATOM 435 N GLN A 29 -3.711 -6.276 -10.728 1.00 0.00 N ATOM 436 CA GLN A 29 -4.061 -6.753 -12.077 1.00 0.00 C ATOM 437 C GLN A 29 -4.771 -8.105 -11.999 1.00 0.00 C ATOM 438 O GLN A 29 -5.430 -8.539 -12.935 1.00 0.00 O ATOM 439 CB GLN A 29 -2.814 -6.879 -12.974 1.00 0.00 C ATOM 440 CG GLN A 29 -1.936 -8.107 -12.696 1.00 0.00 C ATOM 441 CD GLN A 29 -1.029 -7.939 -11.498 1.00 0.00 C ATOM 442 OE1 GLN A 29 0.084 -7.470 -11.623 1.00 0.00 O ATOM 443 NE2 GLN A 29 -1.484 -8.356 -10.335 1.00 0.00 N ATOM 0 H GLN A 29 -2.709 -6.189 -10.559 1.00 0.00 H new ATOM 0 HA GLN A 29 -4.730 -6.015 -12.519 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -3.135 -6.909 -14.015 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.206 -5.982 -12.854 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -2.577 -8.974 -12.538 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -1.328 -8.316 -13.576 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -2.424 -8.745 -10.265 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -0.896 -8.290 -9.504 1.00 0.00 H new ATOM 452 N ASP A 30 -4.621 -8.765 -10.863 1.00 0.00 N ATOM 453 CA ASP A 30 -5.223 -10.068 -10.619 1.00 0.00 C ATOM 454 C ASP A 30 -6.687 -9.893 -10.206 1.00 0.00 C ATOM 455 O ASP A 30 -7.365 -10.846 -9.844 1.00 0.00 O ATOM 456 CB ASP A 30 -4.426 -10.776 -9.503 1.00 0.00 C ATOM 457 CG ASP A 30 -4.765 -12.246 -9.336 1.00 0.00 C ATOM 458 OD1 ASP A 30 -4.180 -13.080 -10.063 1.00 0.00 O ATOM 459 OD2 ASP A 30 -5.595 -12.577 -8.461 1.00 0.00 O ATOM 0 H ASP A 30 -4.075 -8.411 -10.078 1.00 0.00 H new ATOM 0 HA ASP A 30 -5.194 -10.673 -11.525 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -3.361 -10.682 -9.716 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.609 -10.263 -8.559 1.00 0.00 H new ATOM 464 N SER A 31 -7.165 -8.639 -10.258 1.00 0.00 N ATOM 465 CA SER A 31 -8.526 -8.282 -9.858 1.00 0.00 C ATOM 466 C SER A 31 -8.715 -8.480 -8.358 1.00 0.00 C ATOM 467 O SER A 31 -9.834 -8.435 -7.838 1.00 0.00 O ATOM 468 CB SER A 31 -9.565 -9.073 -10.660 1.00 0.00 C ATOM 469 OG SER A 31 -9.443 -8.794 -12.047 1.00 0.00 O ATOM 0 H SER A 31 -6.612 -7.845 -10.581 1.00 0.00 H new ATOM 0 HA SER A 31 -8.678 -7.226 -10.080 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.432 -10.141 -10.485 1.00 0.00 H new ATOM 0 HB3 SER A 31 -10.568 -8.817 -10.319 1.00 0.00 H new ATOM 0 HG SER A 31 -10.113 -9.309 -12.544 1.00 0.00 H new ATOM 475 N SER A 32 -7.606 -8.675 -7.662 1.00 0.00 N ATOM 476 CA SER A 32 -7.618 -8.846 -6.237 1.00 0.00 C ATOM 477 C SER A 32 -7.925 -7.515 -5.589 1.00 0.00 C ATOM 478 O SER A 32 -7.304 -6.502 -5.907 1.00 0.00 O ATOM 479 CB SER A 32 -6.263 -9.380 -5.754 1.00 0.00 C ATOM 480 OG SER A 32 -6.269 -9.618 -4.356 1.00 0.00 O ATOM 0 H SER A 32 -6.676 -8.717 -8.080 1.00 0.00 H new ATOM 0 HA SER A 32 -8.384 -9.571 -5.960 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.026 -10.304 -6.281 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.479 -8.663 -5.999 1.00 0.00 H new ATOM 0 HG SER A 32 -5.393 -9.959 -4.078 1.00 0.00 H new ATOM 486 N GLU A 33 -8.898 -7.508 -4.709 1.00 0.00 N ATOM 487 CA GLU A 33 -9.291 -6.294 -4.040 1.00 0.00 C ATOM 488 C GLU A 33 -9.437 -6.507 -2.556 1.00 0.00 C ATOM 489 O GLU A 33 -9.907 -7.551 -2.100 1.00 0.00 O ATOM 490 CB GLU A 33 -10.590 -5.745 -4.617 1.00 0.00 C ATOM 491 CG GLU A 33 -11.767 -6.687 -4.510 1.00 0.00 C ATOM 492 CD GLU A 33 -13.064 -5.989 -4.802 1.00 0.00 C ATOM 493 OE1 GLU A 33 -13.594 -5.318 -3.891 1.00 0.00 O ATOM 494 OE2 GLU A 33 -13.554 -6.089 -5.942 1.00 0.00 O ATOM 0 H GLU A 33 -9.433 -8.334 -4.440 1.00 0.00 H new ATOM 0 HA GLU A 33 -8.499 -5.564 -4.206 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -10.837 -4.815 -4.105 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -10.432 -5.498 -5.667 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -11.635 -7.515 -5.206 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -11.801 -7.115 -3.508 1.00 0.00 H new ATOM 501 N ILE A 34 -9.011 -5.523 -1.799 1.00 0.00 N ATOM 502 CA ILE A 34 -9.128 -5.538 -0.359 1.00 0.00 C ATOM 503 C ILE A 34 -9.506 -4.151 0.131 1.00 0.00 C ATOM 504 O ILE A 34 -8.898 -3.156 -0.261 1.00 0.00 O ATOM 505 CB ILE A 34 -7.815 -5.985 0.321 1.00 0.00 C ATOM 506 CG1 ILE A 34 -6.625 -5.233 -0.278 1.00 0.00 C ATOM 507 CG2 ILE A 34 -7.631 -7.492 0.202 1.00 0.00 C ATOM 508 CD1 ILE A 34 -5.296 -5.590 0.340 1.00 0.00 C ATOM 0 H ILE A 34 -8.569 -4.681 -2.169 1.00 0.00 H new ATOM 0 HA ILE A 34 -9.902 -6.258 -0.094 1.00 0.00 H new ATOM 0 HB ILE A 34 -7.872 -5.742 1.382 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -6.582 -5.436 -1.348 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -6.791 -4.162 -0.163 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.700 -7.784 0.688 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -8.467 -8.000 0.684 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.594 -7.772 -0.851 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.505 -5.014 -0.140 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.317 -5.360 1.405 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.105 -6.654 0.202 1.00 0.00 H new ATOM 520 N HIS A 35 -10.522 -4.075 0.955 1.00 0.00 N ATOM 521 CA HIS A 35 -10.984 -2.794 1.477 1.00 0.00 C ATOM 522 C HIS A 35 -10.606 -2.683 2.939 1.00 0.00 C ATOM 523 O HIS A 35 -11.012 -3.511 3.756 1.00 0.00 O ATOM 524 CB HIS A 35 -12.516 -2.648 1.338 1.00 0.00 C ATOM 525 CG HIS A 35 -13.066 -2.772 -0.062 1.00 0.00 C ATOM 526 ND1 HIS A 35 -14.185 -2.095 -0.489 1.00 0.00 N ATOM 527 CD2 HIS A 35 -12.679 -3.538 -1.111 1.00 0.00 C ATOM 528 CE1 HIS A 35 -14.464 -2.440 -1.729 1.00 0.00 C ATOM 529 NE2 HIS A 35 -13.565 -3.318 -2.134 1.00 0.00 N ATOM 0 H HIS A 35 -11.052 -4.882 1.285 1.00 0.00 H new ATOM 0 HA HIS A 35 -10.510 -2.001 0.899 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -12.992 -3.404 1.963 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -12.807 -1.676 1.737 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -11.827 -4.201 -1.136 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -15.290 -2.067 -2.316 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -13.535 -3.759 -3.053 1.00 0.00 H new ATOM 538 N PHE A 36 -9.828 -1.675 3.281 1.00 0.00 N ATOM 539 CA PHE A 36 -9.402 -1.492 4.654 1.00 0.00 C ATOM 540 C PHE A 36 -9.621 -0.074 5.128 1.00 0.00 C ATOM 541 O PHE A 36 -9.568 0.886 4.354 1.00 0.00 O ATOM 542 CB PHE A 36 -7.935 -1.877 4.837 1.00 0.00 C ATOM 543 CG PHE A 36 -7.678 -3.355 4.793 1.00 0.00 C ATOM 544 CD1 PHE A 36 -8.002 -4.156 5.877 1.00 0.00 C ATOM 545 CD2 PHE A 36 -7.114 -3.942 3.676 1.00 0.00 C ATOM 546 CE1 PHE A 36 -7.766 -5.516 5.846 1.00 0.00 C ATOM 547 CE2 PHE A 36 -6.876 -5.304 3.641 1.00 0.00 C ATOM 548 CZ PHE A 36 -7.203 -6.091 4.726 1.00 0.00 C ATOM 0 H PHE A 36 -9.479 -0.972 2.629 1.00 0.00 H new ATOM 0 HA PHE A 36 -10.019 -2.154 5.262 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -7.344 -1.393 4.059 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -7.585 -1.487 5.793 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -8.444 -3.711 6.756 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -6.857 -3.332 2.823 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -8.022 -6.129 6.698 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.434 -5.752 2.763 1.00 0.00 H new ATOM 0 HZ PHE A 36 -7.019 -7.155 4.698 1.00 0.00 H new ATOM 558 N LYS A 37 -9.885 0.052 6.404 1.00 0.00 N ATOM 559 CA LYS A 37 -10.076 1.339 7.030 1.00 0.00 C ATOM 560 C LYS A 37 -8.753 1.808 7.618 1.00 0.00 C ATOM 561 O LYS A 37 -8.128 1.110 8.415 1.00 0.00 O ATOM 562 CB LYS A 37 -11.173 1.241 8.112 1.00 0.00 C ATOM 563 CG LYS A 37 -11.641 2.588 8.689 1.00 0.00 C ATOM 564 CD LYS A 37 -10.681 3.137 9.740 1.00 0.00 C ATOM 565 CE LYS A 37 -10.658 2.265 10.987 1.00 0.00 C ATOM 566 NZ LYS A 37 -9.665 2.743 11.976 1.00 0.00 N ATOM 0 H LYS A 37 -9.974 -0.738 7.042 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.405 2.070 6.291 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.035 0.726 7.688 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.802 0.622 8.929 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.741 3.311 7.880 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -12.629 2.466 9.132 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.677 3.199 9.320 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -10.977 4.151 10.010 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.648 2.256 11.442 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -10.426 1.237 10.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -9.680 2.123 12.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -8.716 2.728 11.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -9.900 3.715 12.262 1.00 0.00 H new ATOM 580 N VAL A 38 -8.322 2.981 7.218 1.00 0.00 N ATOM 581 CA VAL A 38 -7.059 3.537 7.659 1.00 0.00 C ATOM 582 C VAL A 38 -7.267 4.921 8.285 1.00 0.00 C ATOM 583 O VAL A 38 -8.380 5.455 8.286 1.00 0.00 O ATOM 584 CB VAL A 38 -6.049 3.635 6.475 1.00 0.00 C ATOM 585 CG1 VAL A 38 -5.649 2.250 5.990 1.00 0.00 C ATOM 586 CG2 VAL A 38 -6.629 4.445 5.323 1.00 0.00 C ATOM 0 H VAL A 38 -8.838 3.581 6.575 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.645 2.868 8.413 1.00 0.00 H new ATOM 0 HB VAL A 38 -5.160 4.148 6.842 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -4.944 2.343 5.164 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -5.181 1.700 6.806 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.535 1.713 5.652 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -5.902 4.496 4.512 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -7.540 3.966 4.964 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -6.860 5.453 5.667 1.00 0.00 H new ATOM 622 N MET A 40 -5.222 8.944 8.963 1.00 0.00 N ATOM 623 CA MET A 40 -4.656 9.971 8.111 1.00 0.00 C ATOM 624 C MET A 40 -3.194 9.665 7.807 1.00 0.00 C ATOM 625 O MET A 40 -2.740 9.800 6.678 1.00 0.00 O ATOM 626 CB MET A 40 -4.789 11.351 8.768 1.00 0.00 C ATOM 627 CG MET A 40 -4.309 12.526 7.913 1.00 0.00 C ATOM 628 SD MET A 40 -5.520 13.107 6.679 1.00 0.00 S ATOM 629 CE MET A 40 -5.629 11.726 5.534 1.00 0.00 C ATOM 0 HA MET A 40 -5.210 9.982 7.172 1.00 0.00 H new ATOM 0 HB2 MET A 40 -5.835 11.514 9.027 1.00 0.00 H new ATOM 0 HB3 MET A 40 -4.226 11.347 9.702 1.00 0.00 H new ATOM 0 HG2 MET A 40 -4.052 13.357 8.571 1.00 0.00 H new ATOM 0 HG3 MET A 40 -3.395 12.234 7.397 1.00 0.00 H new ATOM 0 HE1 MET A 40 -5.740 12.104 4.518 1.00 0.00 H new ATOM 0 HE2 MET A 40 -4.722 11.125 5.601 1.00 0.00 H new ATOM 0 HE3 MET A 40 -6.492 11.110 5.788 1.00 0.00 H new ATOM 639 N THR A 41 -2.470 9.203 8.806 1.00 0.00 N ATOM 640 CA THR A 41 -1.052 8.953 8.664 1.00 0.00 C ATOM 641 C THR A 41 -0.718 7.448 8.660 1.00 0.00 C ATOM 642 O THR A 41 0.387 7.049 9.020 1.00 0.00 O ATOM 643 CB THR A 41 -0.280 9.659 9.797 1.00 0.00 C ATOM 644 OG1 THR A 41 -0.850 9.298 11.063 1.00 0.00 O ATOM 645 CG2 THR A 41 -0.354 11.167 9.634 1.00 0.00 C ATOM 0 H THR A 41 -2.845 8.992 9.731 1.00 0.00 H new ATOM 0 HA THR A 41 -0.746 9.355 7.698 1.00 0.00 H new ATOM 0 HB THR A 41 0.763 9.346 9.752 1.00 0.00 H new ATOM 0 HG1 THR A 41 -0.358 9.745 11.783 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.196 11.648 10.443 1.00 0.00 H new ATOM 0 HG22 THR A 41 0.084 11.452 8.677 1.00 0.00 H new ATOM 0 HG23 THR A 41 -1.396 11.486 9.665 1.00 0.00 H new ATOM 653 N THR A 42 -1.663 6.617 8.229 1.00 0.00 N ATOM 654 CA THR A 42 -1.434 5.176 8.173 1.00 0.00 C ATOM 655 C THR A 42 -0.407 4.811 7.105 1.00 0.00 C ATOM 656 O THR A 42 -0.534 5.198 5.942 1.00 0.00 O ATOM 657 CB THR A 42 -2.735 4.396 7.886 1.00 0.00 C ATOM 658 OG1 THR A 42 -3.666 4.610 8.937 1.00 0.00 O ATOM 659 CG2 THR A 42 -2.460 2.902 7.759 1.00 0.00 C ATOM 0 H THR A 42 -2.587 6.913 7.916 1.00 0.00 H new ATOM 0 HA THR A 42 -1.055 4.895 9.156 1.00 0.00 H new ATOM 0 HB THR A 42 -3.146 4.758 6.944 1.00 0.00 H new ATOM 0 HG1 THR A 42 -4.338 3.897 8.929 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.393 2.376 7.557 1.00 0.00 H new ATOM 0 HG22 THR A 42 -1.761 2.729 6.940 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.029 2.531 8.689 1.00 0.00 H new ATOM 667 N HIS A 43 0.620 4.079 7.502 1.00 0.00 N ATOM 668 CA HIS A 43 1.604 3.586 6.563 1.00 0.00 C ATOM 669 C HIS A 43 0.978 2.500 5.727 1.00 0.00 C ATOM 670 O HIS A 43 0.719 1.396 6.208 1.00 0.00 O ATOM 671 CB HIS A 43 2.841 3.047 7.286 1.00 0.00 C ATOM 672 CG HIS A 43 3.726 4.113 7.850 1.00 0.00 C ATOM 673 ND1 HIS A 43 5.077 3.954 8.011 1.00 0.00 N ATOM 674 CD2 HIS A 43 3.442 5.356 8.296 1.00 0.00 C ATOM 675 CE1 HIS A 43 5.591 5.045 8.530 1.00 0.00 C ATOM 676 NE2 HIS A 43 4.621 5.914 8.714 1.00 0.00 N ATOM 0 H HIS A 43 0.791 3.814 8.472 1.00 0.00 H new ATOM 0 HA HIS A 43 1.927 4.409 5.926 1.00 0.00 H new ATOM 0 HB2 HIS A 43 2.520 2.390 8.094 1.00 0.00 H new ATOM 0 HB3 HIS A 43 3.419 2.438 6.591 1.00 0.00 H new ATOM 0 HD1 HIS A 43 5.603 3.116 7.765 1.00 0.00 H new ATOM 0 HD2 HIS A 43 2.468 5.822 8.319 1.00 0.00 H new ATOM 0 HE1 HIS A 43 6.633 5.202 8.766 1.00 0.00 H new ATOM 685 N LEU A 44 0.722 2.803 4.475 1.00 0.00 N ATOM 686 CA LEU A 44 0.040 1.873 3.590 1.00 0.00 C ATOM 687 C LEU A 44 0.869 0.645 3.303 1.00 0.00 C ATOM 688 O LEU A 44 0.338 -0.387 2.900 1.00 0.00 O ATOM 689 CB LEU A 44 -0.358 2.560 2.300 1.00 0.00 C ATOM 690 CG LEU A 44 -1.405 3.652 2.446 1.00 0.00 C ATOM 691 CD1 LEU A 44 -1.613 4.356 1.129 1.00 0.00 C ATOM 692 CD2 LEU A 44 -2.717 3.074 2.956 1.00 0.00 C ATOM 0 H LEU A 44 0.975 3.690 4.040 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.860 1.540 4.106 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.534 2.992 1.847 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.735 1.807 1.607 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.047 4.378 3.176 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.365 5.136 1.248 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.674 4.804 0.804 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.950 3.638 0.382 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.453 3.872 3.053 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.083 2.327 2.252 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.556 2.608 3.928 1.00 0.00 H new ATOM 704 N LYS A 45 2.171 0.738 3.510 1.00 0.00 N ATOM 705 CA LYS A 45 3.037 -0.382 3.315 1.00 0.00 C ATOM 706 C LYS A 45 2.633 -1.510 4.252 1.00 0.00 C ATOM 707 O LYS A 45 2.699 -2.681 3.898 1.00 0.00 O ATOM 708 CB LYS A 45 4.478 0.028 3.547 1.00 0.00 C ATOM 709 CG LYS A 45 5.479 -1.014 3.123 1.00 0.00 C ATOM 710 CD LYS A 45 5.988 -1.821 4.289 1.00 0.00 C ATOM 711 CE LYS A 45 7.115 -2.708 3.842 1.00 0.00 C ATOM 712 NZ LYS A 45 7.561 -3.632 4.906 1.00 0.00 N ATOM 0 H LYS A 45 2.642 1.590 3.815 1.00 0.00 H new ATOM 0 HA LYS A 45 2.947 -0.736 2.288 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.676 0.952 3.003 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.619 0.245 4.606 1.00 0.00 H new ATOM 0 HG2 LYS A 45 5.019 -1.682 2.394 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.318 -0.528 2.625 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.330 -1.156 5.082 1.00 0.00 H new ATOM 0 HD3 LYS A 45 5.181 -2.425 4.705 1.00 0.00 H new ATOM 0 HE2 LYS A 45 6.797 -3.285 2.973 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.956 -2.091 3.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 8.595 -3.577 5.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.115 -3.365 5.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.287 -4.604 4.659 1.00 0.00 H new ATOM 726 N LYS A 46 2.175 -1.141 5.445 1.00 0.00 N ATOM 727 CA LYS A 46 1.722 -2.104 6.432 1.00 0.00 C ATOM 728 C LYS A 46 0.458 -2.813 5.937 1.00 0.00 C ATOM 729 O LYS A 46 0.236 -4.003 6.204 1.00 0.00 O ATOM 730 CB LYS A 46 1.458 -1.401 7.775 1.00 0.00 C ATOM 731 CG LYS A 46 0.792 -2.276 8.837 1.00 0.00 C ATOM 732 CD LYS A 46 1.633 -3.494 9.188 1.00 0.00 C ATOM 733 CE LYS A 46 2.985 -3.094 9.764 1.00 0.00 C ATOM 734 NZ LYS A 46 3.761 -4.268 10.223 1.00 0.00 N ATOM 0 H LYS A 46 2.109 -0.170 5.749 1.00 0.00 H new ATOM 0 HA LYS A 46 2.501 -2.852 6.580 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.406 -1.034 8.169 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.828 -0.530 7.595 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.619 -1.685 9.736 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.184 -2.602 8.477 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.098 -4.111 9.910 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.782 -4.103 8.296 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.556 -2.555 9.008 1.00 0.00 H new ATOM 0 HE3 LYS A 46 2.835 -2.409 10.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 4.674 -3.952 10.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 3.228 -4.769 10.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 3.927 -4.910 9.421 1.00 0.00 H new ATOM 748 N LEU A 47 -0.366 -2.088 5.197 1.00 0.00 N ATOM 749 CA LEU A 47 -1.568 -2.658 4.634 1.00 0.00 C ATOM 750 C LEU A 47 -1.157 -3.635 3.545 1.00 0.00 C ATOM 751 O LEU A 47 -1.702 -4.734 3.428 1.00 0.00 O ATOM 752 CB LEU A 47 -2.481 -1.538 4.072 1.00 0.00 C ATOM 753 CG LEU A 47 -3.900 -1.949 3.607 1.00 0.00 C ATOM 754 CD1 LEU A 47 -4.762 -0.717 3.382 1.00 0.00 C ATOM 755 CD2 LEU A 47 -3.853 -2.773 2.329 1.00 0.00 C ATOM 0 H LEU A 47 -0.219 -1.103 4.975 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.138 -3.184 5.399 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.586 -0.771 4.839 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.969 -1.077 3.228 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.336 -2.562 4.396 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.756 -1.023 3.056 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.843 -0.155 4.312 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.306 -0.089 2.617 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.867 -3.043 2.033 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.387 -2.188 1.536 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.272 -3.679 2.501 1.00 0.00 H new ATOM 767 N LYS A 48 -0.171 -3.236 2.749 1.00 0.00 N ATOM 768 CA LYS A 48 0.345 -4.084 1.698 1.00 0.00 C ATOM 769 C LYS A 48 0.956 -5.351 2.296 1.00 0.00 C ATOM 770 O LYS A 48 0.789 -6.435 1.756 1.00 0.00 O ATOM 771 CB LYS A 48 1.370 -3.342 0.841 1.00 0.00 C ATOM 772 CG LYS A 48 0.764 -2.530 -0.300 1.00 0.00 C ATOM 773 CD LYS A 48 -0.194 -1.461 0.184 1.00 0.00 C ATOM 774 CE LYS A 48 -0.637 -0.569 -0.956 1.00 0.00 C ATOM 775 NZ LYS A 48 -1.224 -1.358 -2.072 1.00 0.00 N ATOM 0 H LYS A 48 0.284 -2.326 2.818 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.485 -4.367 1.050 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.946 -2.674 1.481 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.070 -4.066 0.424 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.565 -2.062 -0.872 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.239 -3.202 -0.979 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.065 -1.929 0.643 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.287 -0.859 0.955 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.371 0.150 -0.592 1.00 0.00 H new ATOM 0 HE3 LYS A 48 0.215 0.004 -1.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -0.558 -1.379 -2.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -1.409 -2.330 -1.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -2.116 -0.918 -2.377 1.00 0.00 H new ATOM 789 N GLU A 49 1.696 -5.199 3.403 1.00 0.00 N ATOM 790 CA GLU A 49 2.220 -6.346 4.165 1.00 0.00 C ATOM 791 C GLU A 49 1.111 -7.353 4.438 1.00 0.00 C ATOM 792 O GLU A 49 1.274 -8.560 4.226 1.00 0.00 O ATOM 793 CB GLU A 49 2.773 -5.867 5.511 1.00 0.00 C ATOM 794 CG GLU A 49 4.011 -5.002 5.429 1.00 0.00 C ATOM 795 CD GLU A 49 5.273 -5.804 5.275 1.00 0.00 C ATOM 796 OE1 GLU A 49 5.651 -6.513 6.229 1.00 0.00 O ATOM 797 OE2 GLU A 49 5.915 -5.706 4.224 1.00 0.00 O ATOM 0 H GLU A 49 1.947 -4.291 3.793 1.00 0.00 H new ATOM 0 HA GLU A 49 3.008 -6.815 3.576 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.993 -5.308 6.028 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.999 -6.740 6.124 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.915 -4.318 4.586 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.082 -4.391 6.329 1.00 0.00 H new ATOM 804 N SER A 50 -0.022 -6.853 4.902 1.00 0.00 N ATOM 805 CA SER A 50 -1.171 -7.688 5.203 1.00 0.00 C ATOM 806 C SER A 50 -1.703 -8.337 3.922 1.00 0.00 C ATOM 807 O SER A 50 -2.119 -9.496 3.916 1.00 0.00 O ATOM 808 CB SER A 50 -2.257 -6.842 5.869 1.00 0.00 C ATOM 809 OG SER A 50 -1.709 -6.069 6.932 1.00 0.00 O ATOM 0 H SER A 50 -0.170 -5.860 5.080 1.00 0.00 H new ATOM 0 HA SER A 50 -0.871 -8.481 5.888 1.00 0.00 H new ATOM 0 HB2 SER A 50 -2.715 -6.183 5.132 1.00 0.00 H new ATOM 0 HB3 SER A 50 -3.046 -7.489 6.252 1.00 0.00 H new ATOM 0 HG SER A 50 -1.201 -5.317 6.562 1.00 0.00 H new ATOM 815 N TYR A 51 -1.664 -7.590 2.833 1.00 0.00 N ATOM 816 CA TYR A 51 -2.099 -8.077 1.542 1.00 0.00 C ATOM 817 C TYR A 51 -1.185 -9.189 1.040 1.00 0.00 C ATOM 818 O TYR A 51 -1.653 -10.216 0.562 1.00 0.00 O ATOM 819 CB TYR A 51 -2.157 -6.908 0.540 1.00 0.00 C ATOM 820 CG TYR A 51 -1.843 -7.281 -0.892 1.00 0.00 C ATOM 821 CD1 TYR A 51 -2.788 -7.888 -1.707 1.00 0.00 C ATOM 822 CD2 TYR A 51 -0.591 -7.029 -1.417 1.00 0.00 C ATOM 823 CE1 TYR A 51 -2.485 -8.233 -3.012 1.00 0.00 C ATOM 824 CE2 TYR A 51 -0.279 -7.371 -2.714 1.00 0.00 C ATOM 825 CZ TYR A 51 -1.226 -7.973 -3.507 1.00 0.00 C ATOM 826 OH TYR A 51 -0.906 -8.323 -4.796 1.00 0.00 O ATOM 0 H TYR A 51 -1.329 -6.627 2.822 1.00 0.00 H new ATOM 0 HA TYR A 51 -3.098 -8.501 1.643 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -3.153 -6.467 0.575 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -1.456 -6.138 0.862 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -3.774 -8.094 -1.317 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.157 -6.555 -0.799 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -3.230 -8.702 -3.638 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.706 -7.167 -3.106 1.00 0.00 H new ATOM 0 HH TYR A 51 0.021 -8.067 -4.984 1.00 0.00 H new ATOM 836 N CYS A 52 0.119 -9.005 1.166 1.00 0.00 N ATOM 837 CA CYS A 52 1.071 -9.976 0.663 1.00 0.00 C ATOM 838 C CYS A 52 0.996 -11.282 1.436 1.00 0.00 C ATOM 839 O CYS A 52 1.055 -12.354 0.856 1.00 0.00 O ATOM 840 CB CYS A 52 2.488 -9.416 0.733 1.00 0.00 C ATOM 841 SG CYS A 52 2.687 -7.817 -0.087 1.00 0.00 S ATOM 0 H CYS A 52 0.541 -8.191 1.613 1.00 0.00 H new ATOM 0 HA CYS A 52 0.814 -10.180 -0.376 1.00 0.00 H new ATOM 0 HB2 CYS A 52 2.777 -9.315 1.779 1.00 0.00 H new ATOM 0 HB3 CYS A 52 3.174 -10.133 0.281 1.00 0.00 H new ATOM 0 HG CYS A 52 2.029 -6.908 0.569 1.00 0.00 H new ATOM 847 N GLN A 53 0.848 -11.200 2.747 1.00 0.00 N ATOM 848 CA GLN A 53 0.795 -12.401 3.565 1.00 0.00 C ATOM 849 C GLN A 53 -0.526 -13.148 3.381 1.00 0.00 C ATOM 850 O GLN A 53 -0.551 -14.375 3.337 1.00 0.00 O ATOM 851 CB GLN A 53 1.052 -12.079 5.040 1.00 0.00 C ATOM 852 CG GLN A 53 0.079 -11.094 5.641 1.00 0.00 C ATOM 853 CD GLN A 53 0.423 -10.744 7.070 1.00 0.00 C ATOM 854 OE1 GLN A 53 -0.011 -11.412 8.009 1.00 0.00 O ATOM 855 NE2 GLN A 53 1.202 -9.692 7.247 1.00 0.00 N ATOM 0 H GLN A 53 0.763 -10.325 3.264 1.00 0.00 H new ATOM 0 HA GLN A 53 1.592 -13.063 3.226 1.00 0.00 H new ATOM 0 HB2 GLN A 53 1.014 -13.005 5.614 1.00 0.00 H new ATOM 0 HB3 GLN A 53 2.062 -11.682 5.142 1.00 0.00 H new ATOM 0 HG2 GLN A 53 0.068 -10.185 5.040 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -0.927 -11.512 5.604 1.00 0.00 H new ATOM 0 HE21 GLN A 53 1.540 -9.166 6.441 1.00 0.00 H new ATOM 0 HE22 GLN A 53 1.466 -9.406 8.190 1.00 0.00 H new ATOM 864 N ARG A 54 -1.627 -12.413 3.256 1.00 0.00 N ATOM 865 CA ARG A 54 -2.934 -13.030 3.046 1.00 0.00 C ATOM 866 C ARG A 54 -3.028 -13.661 1.655 1.00 0.00 C ATOM 867 O ARG A 54 -3.659 -14.704 1.470 1.00 0.00 O ATOM 868 CB ARG A 54 -4.053 -12.005 3.257 1.00 0.00 C ATOM 869 CG ARG A 54 -5.449 -12.547 2.991 1.00 0.00 C ATOM 870 CD ARG A 54 -6.515 -11.655 3.606 1.00 0.00 C ATOM 871 NE ARG A 54 -6.441 -11.649 5.073 1.00 0.00 N ATOM 872 CZ ARG A 54 -7.075 -10.774 5.865 1.00 0.00 C ATOM 873 NH1 ARG A 54 -7.833 -9.813 5.338 1.00 0.00 N ATOM 874 NH2 ARG A 54 -6.950 -10.864 7.186 1.00 0.00 N ATOM 0 H ARG A 54 -1.641 -11.394 3.296 1.00 0.00 H new ATOM 0 HA ARG A 54 -3.055 -13.826 3.781 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -4.007 -11.638 4.282 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -3.876 -11.150 2.604 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -5.613 -12.624 1.916 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -5.534 -13.554 3.400 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -6.398 -10.638 3.232 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -7.501 -11.998 3.293 1.00 0.00 H new ATOM 0 HE ARG A 54 -5.866 -12.362 5.521 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -7.933 -9.740 4.326 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -8.313 -9.150 5.947 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -6.372 -11.598 7.595 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -7.432 -10.199 7.790 1.00 0.00 H new ATOM 888 N GLN A 55 -2.387 -13.035 0.681 1.00 0.00 N ATOM 889 CA GLN A 55 -2.377 -13.543 -0.693 1.00 0.00 C ATOM 890 C GLN A 55 -1.240 -14.548 -0.887 1.00 0.00 C ATOM 891 O GLN A 55 -1.157 -15.237 -1.905 1.00 0.00 O ATOM 892 CB GLN A 55 -2.245 -12.380 -1.685 1.00 0.00 C ATOM 893 CG GLN A 55 -3.567 -11.695 -2.063 1.00 0.00 C ATOM 894 CD GLN A 55 -4.502 -11.462 -0.887 1.00 0.00 C ATOM 895 OE1 GLN A 55 -5.338 -12.300 -0.568 1.00 0.00 O ATOM 896 NE2 GLN A 55 -4.368 -10.327 -0.243 1.00 0.00 N ATOM 0 H GLN A 55 -1.863 -12.170 0.812 1.00 0.00 H new ATOM 0 HA GLN A 55 -3.320 -14.056 -0.882 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.575 -11.633 -1.259 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.772 -12.750 -2.595 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.346 -10.737 -2.534 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -4.080 -12.305 -2.807 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -3.661 -9.654 -0.538 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -4.971 -10.118 0.553 1.00 0.00 H new ATOM 905 N GLY A 56 -0.365 -14.617 0.105 1.00 0.00 N ATOM 906 CA GLY A 56 0.756 -15.541 0.075 1.00 0.00 C ATOM 907 C GLY A 56 1.782 -15.195 -0.990 1.00 0.00 C ATOM 908 O GLY A 56 2.348 -16.081 -1.630 1.00 0.00 O ATOM 0 H GLY A 56 -0.411 -14.040 0.945 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.241 -15.547 1.051 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.383 -16.550 -0.101 1.00 0.00 H new ATOM 912 N VAL A 57 2.030 -13.910 -1.187 1.00 0.00 N ATOM 913 CA VAL A 57 2.998 -13.470 -2.185 1.00 0.00 C ATOM 914 C VAL A 57 4.171 -12.718 -1.574 1.00 0.00 C ATOM 915 O VAL A 57 4.008 -11.926 -0.645 1.00 0.00 O ATOM 916 CB VAL A 57 2.372 -12.594 -3.292 1.00 0.00 C ATOM 917 CG1 VAL A 57 1.825 -13.459 -4.409 1.00 0.00 C ATOM 918 CG2 VAL A 57 1.289 -11.693 -2.726 1.00 0.00 C ATOM 0 H VAL A 57 1.578 -13.154 -0.673 1.00 0.00 H new ATOM 0 HA VAL A 57 3.361 -14.395 -2.634 1.00 0.00 H new ATOM 0 HB VAL A 57 3.154 -11.957 -3.704 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.388 -12.824 -5.180 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.633 -14.050 -4.841 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.060 -14.126 -4.011 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.865 -11.087 -3.527 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.505 -12.304 -2.279 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.719 -11.041 -1.966 1.00 0.00 H new ATOM 928 N PRO A 58 5.375 -12.992 -2.088 1.00 0.00 N ATOM 929 CA PRO A 58 6.603 -12.314 -1.670 1.00 0.00 C ATOM 930 C PRO A 58 6.611 -10.826 -2.049 1.00 0.00 C ATOM 931 O PRO A 58 6.225 -10.439 -3.159 1.00 0.00 O ATOM 932 CB PRO A 58 7.706 -13.055 -2.432 1.00 0.00 C ATOM 933 CG PRO A 58 7.010 -13.734 -3.566 1.00 0.00 C ATOM 934 CD PRO A 58 5.627 -14.027 -3.101 1.00 0.00 C ATOM 0 HA PRO A 58 6.723 -12.337 -0.587 1.00 0.00 H new ATOM 0 HB2 PRO A 58 8.467 -12.364 -2.794 1.00 0.00 H new ATOM 0 HB3 PRO A 58 8.211 -13.777 -1.791 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.995 -13.096 -4.449 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.528 -14.652 -3.845 1.00 0.00 H new ATOM 0 HD2 PRO A 58 4.909 -13.970 -3.919 1.00 0.00 H new ATOM 0 HD3 PRO A 58 5.550 -15.029 -2.678 1.00 0.00 H new ATOM 942 N MET A 59 7.082 -10.005 -1.129 1.00 0.00 N ATOM 943 CA MET A 59 7.138 -8.552 -1.299 1.00 0.00 C ATOM 944 C MET A 59 8.102 -8.128 -2.417 1.00 0.00 C ATOM 945 O MET A 59 7.998 -7.034 -2.962 1.00 0.00 O ATOM 946 CB MET A 59 7.549 -7.880 0.018 1.00 0.00 C ATOM 947 CG MET A 59 8.934 -8.286 0.523 1.00 0.00 C ATOM 948 SD MET A 59 9.011 -9.999 1.097 1.00 0.00 S ATOM 949 CE MET A 59 10.721 -10.100 1.625 1.00 0.00 C ATOM 0 H MET A 59 7.442 -10.325 -0.230 1.00 0.00 H new ATOM 0 HA MET A 59 6.138 -8.227 -1.586 1.00 0.00 H new ATOM 0 HB2 MET A 59 7.526 -6.799 -0.116 1.00 0.00 H new ATOM 0 HB3 MET A 59 6.811 -8.122 0.782 1.00 0.00 H new ATOM 0 HG2 MET A 59 9.661 -8.145 -0.277 1.00 0.00 H new ATOM 0 HG3 MET A 59 9.225 -7.623 1.338 1.00 0.00 H new ATOM 0 HE1 MET A 59 10.926 -11.100 2.006 1.00 0.00 H new ATOM 0 HE2 MET A 59 11.376 -9.893 0.779 1.00 0.00 H new ATOM 0 HE3 MET A 59 10.903 -9.368 2.412 1.00 0.00 H new ATOM 959 N ASN A 60 9.039 -8.995 -2.755 1.00 0.00 N ATOM 960 CA ASN A 60 10.037 -8.682 -3.780 1.00 0.00 C ATOM 961 C ASN A 60 9.475 -8.933 -5.157 1.00 0.00 C ATOM 962 O ASN A 60 9.989 -8.446 -6.166 1.00 0.00 O ATOM 963 CB ASN A 60 11.308 -9.519 -3.581 1.00 0.00 C ATOM 964 CG ASN A 60 11.036 -11.013 -3.614 1.00 0.00 C ATOM 965 OD1 ASN A 60 10.951 -11.619 -4.680 1.00 0.00 O ATOM 966 ND2 ASN A 60 10.925 -11.616 -2.446 1.00 0.00 N ATOM 0 H ASN A 60 9.136 -9.922 -2.340 1.00 0.00 H new ATOM 0 HA ASN A 60 10.295 -7.627 -3.685 1.00 0.00 H new ATOM 0 HB2 ASN A 60 12.029 -9.268 -4.359 1.00 0.00 H new ATOM 0 HB3 ASN A 60 11.765 -9.258 -2.626 1.00 0.00 H new ATOM 0 HD21 ASN A 60 10.762 -12.622 -2.405 1.00 0.00 H new ATOM 0 HD22 ASN A 60 11.002 -11.076 -1.584 1.00 0.00 H new ATOM 973 N SER A 61 8.412 -9.682 -5.197 1.00 0.00 N ATOM 974 CA SER A 61 7.792 -10.056 -6.430 1.00 0.00 C ATOM 975 C SER A 61 6.671 -9.106 -6.809 1.00 0.00 C ATOM 976 O SER A 61 6.269 -9.034 -7.956 1.00 0.00 O ATOM 977 CB SER A 61 7.245 -11.455 -6.294 1.00 0.00 C ATOM 978 OG SER A 61 8.288 -12.408 -6.160 1.00 0.00 O ATOM 0 H SER A 61 7.949 -10.052 -4.367 1.00 0.00 H new ATOM 0 HA SER A 61 8.542 -10.011 -7.219 1.00 0.00 H new ATOM 0 HB2 SER A 61 6.588 -11.508 -5.426 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.639 -11.697 -7.167 1.00 0.00 H new ATOM 0 HG SER A 61 9.034 -12.009 -5.666 1.00 0.00 H new ATOM 984 N LEU A 62 6.162 -8.374 -5.864 1.00 0.00 N ATOM 985 CA LEU A 62 5.050 -7.522 -6.151 1.00 0.00 C ATOM 986 C LEU A 62 5.384 -6.035 -5.897 1.00 0.00 C ATOM 987 O LEU A 62 6.350 -5.709 -5.198 1.00 0.00 O ATOM 988 CB LEU A 62 3.795 -8.046 -5.390 1.00 0.00 C ATOM 989 CG LEU A 62 3.404 -7.407 -4.050 1.00 0.00 C ATOM 990 CD1 LEU A 62 4.587 -7.267 -3.123 1.00 0.00 C ATOM 991 CD2 LEU A 62 2.700 -6.099 -4.275 1.00 0.00 C ATOM 0 H LEU A 62 6.494 -8.349 -4.900 1.00 0.00 H new ATOM 0 HA LEU A 62 4.815 -7.560 -7.215 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.941 -7.948 -6.061 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.941 -9.112 -5.214 1.00 0.00 H new ATOM 0 HG LEU A 62 2.706 -8.078 -3.549 1.00 0.00 H new ATOM 0 HD11 LEU A 62 4.264 -6.810 -2.187 1.00 0.00 H new ATOM 0 HD12 LEU A 62 5.009 -8.251 -2.920 1.00 0.00 H new ATOM 0 HD13 LEU A 62 5.344 -6.638 -3.591 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.430 -5.661 -3.314 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.360 -5.418 -4.812 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.798 -6.268 -4.863 1.00 0.00 H new ATOM 1003 N ARG A 63 4.613 -5.150 -6.499 1.00 0.00 N ATOM 1004 CA ARG A 63 4.832 -3.721 -6.365 1.00 0.00 C ATOM 1005 C ARG A 63 3.516 -2.972 -6.162 1.00 0.00 C ATOM 1006 O ARG A 63 2.486 -3.320 -6.746 1.00 0.00 O ATOM 1007 CB ARG A 63 5.549 -3.194 -7.597 1.00 0.00 C ATOM 1008 CG ARG A 63 4.700 -3.216 -8.853 1.00 0.00 C ATOM 1009 CD ARG A 63 5.556 -3.171 -10.088 1.00 0.00 C ATOM 1010 NE ARG A 63 6.037 -4.504 -10.470 1.00 0.00 N ATOM 1011 CZ ARG A 63 7.309 -4.909 -10.401 1.00 0.00 C ATOM 1012 NH1 ARG A 63 8.246 -4.100 -9.922 1.00 0.00 N ATOM 1013 NH2 ARG A 63 7.637 -6.135 -10.809 1.00 0.00 N ATOM 0 H ARG A 63 3.821 -5.398 -7.092 1.00 0.00 H new ATOM 0 HA ARG A 63 5.451 -3.552 -5.484 1.00 0.00 H new ATOM 0 HB2 ARG A 63 5.875 -2.171 -7.407 1.00 0.00 H new ATOM 0 HB3 ARG A 63 6.447 -3.788 -7.766 1.00 0.00 H new ATOM 0 HG2 ARG A 63 4.087 -4.117 -8.865 1.00 0.00 H new ATOM 0 HG3 ARG A 63 4.018 -2.366 -8.849 1.00 0.00 H new ATOM 0 HD2 ARG A 63 4.984 -2.742 -10.911 1.00 0.00 H new ATOM 0 HD3 ARG A 63 6.408 -2.513 -9.915 1.00 0.00 H new ATOM 0 HE ARG A 63 5.348 -5.172 -10.814 1.00 0.00 H new ATOM 0 HH11 ARG A 63 7.997 -3.163 -9.604 1.00 0.00 H new ATOM 0 HH12 ARG A 63 9.215 -4.415 -9.872 1.00 0.00 H new ATOM 0 HH21 ARG A 63 6.918 -6.761 -11.172 1.00 0.00 H new ATOM 0 HH22 ARG A 63 8.607 -6.447 -10.758 1.00 0.00 H new ATOM 1027 N PHE A 64 3.549 -1.961 -5.322 1.00 0.00 N ATOM 1028 CA PHE A 64 2.376 -1.146 -5.036 1.00 0.00 C ATOM 1029 C PHE A 64 2.590 0.274 -5.498 1.00 0.00 C ATOM 1030 O PHE A 64 3.517 0.939 -5.059 1.00 0.00 O ATOM 1031 CB PHE A 64 2.065 -1.147 -3.534 1.00 0.00 C ATOM 1032 CG PHE A 64 3.046 -1.928 -2.703 1.00 0.00 C ATOM 1033 CD1 PHE A 64 2.926 -3.296 -2.596 1.00 0.00 C ATOM 1034 CD2 PHE A 64 4.079 -1.295 -2.031 1.00 0.00 C ATOM 1035 CE1 PHE A 64 3.809 -4.032 -1.841 1.00 0.00 C ATOM 1036 CE2 PHE A 64 4.974 -2.025 -1.269 1.00 0.00 C ATOM 1037 CZ PHE A 64 4.839 -3.397 -1.173 1.00 0.00 C ATOM 0 H PHE A 64 4.387 -1.676 -4.815 1.00 0.00 H new ATOM 0 HA PHE A 64 1.533 -1.578 -5.576 1.00 0.00 H new ATOM 0 HB2 PHE A 64 2.043 -0.117 -3.178 1.00 0.00 H new ATOM 0 HB3 PHE A 64 1.067 -1.559 -3.381 1.00 0.00 H new ATOM 0 HD1 PHE A 64 2.124 -3.800 -3.115 1.00 0.00 H new ATOM 0 HD2 PHE A 64 4.187 -0.223 -2.103 1.00 0.00 H new ATOM 0 HE1 PHE A 64 3.698 -5.104 -1.770 1.00 0.00 H new ATOM 0 HE2 PHE A 64 5.777 -1.523 -0.750 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.535 -3.970 -0.579 1.00 0.00 H new ATOM 1047 N LEU A 65 1.737 0.748 -6.377 1.00 0.00 N ATOM 1048 CA LEU A 65 1.861 2.099 -6.875 1.00 0.00 C ATOM 1049 C LEU A 65 0.523 2.821 -6.959 1.00 0.00 C ATOM 1050 O LEU A 65 -0.547 2.209 -6.993 1.00 0.00 O ATOM 1051 CB LEU A 65 2.592 2.106 -8.229 1.00 0.00 C ATOM 1052 CG LEU A 65 2.148 1.051 -9.251 1.00 0.00 C ATOM 1053 CD1 LEU A 65 0.792 1.391 -9.838 1.00 0.00 C ATOM 1054 CD2 LEU A 65 3.185 0.910 -10.345 1.00 0.00 C ATOM 0 H LEU A 65 0.953 0.221 -6.761 1.00 0.00 H new ATOM 0 HA LEU A 65 2.459 2.656 -6.154 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.467 3.091 -8.679 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.658 1.973 -8.042 1.00 0.00 H new ATOM 0 HG LEU A 65 2.055 0.096 -8.733 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.505 0.625 -10.558 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.051 1.435 -9.040 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.844 2.358 -10.338 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.857 0.158 -11.063 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.310 1.866 -10.853 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.135 0.604 -9.908 1.00 0.00 H new ATOM 1066 N PHE A 66 0.600 4.128 -6.957 1.00 0.00 N ATOM 1067 CA PHE A 66 -0.550 4.990 -7.096 1.00 0.00 C ATOM 1068 C PHE A 66 -0.132 6.213 -7.863 1.00 0.00 C ATOM 1069 O PHE A 66 0.817 6.882 -7.487 1.00 0.00 O ATOM 1070 CB PHE A 66 -1.111 5.397 -5.730 1.00 0.00 C ATOM 1071 CG PHE A 66 -2.210 6.420 -5.823 1.00 0.00 C ATOM 1072 CD1 PHE A 66 -3.457 6.066 -6.294 1.00 0.00 C ATOM 1073 CD2 PHE A 66 -1.990 7.738 -5.443 1.00 0.00 C ATOM 1074 CE1 PHE A 66 -4.467 6.998 -6.388 1.00 0.00 C ATOM 1075 CE2 PHE A 66 -2.998 8.676 -5.533 1.00 0.00 C ATOM 1076 CZ PHE A 66 -4.239 8.306 -6.007 1.00 0.00 C ATOM 0 H PHE A 66 1.480 4.634 -6.857 1.00 0.00 H new ATOM 0 HA PHE A 66 -1.337 4.454 -7.627 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.490 4.511 -5.221 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -0.303 5.796 -5.116 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -3.644 5.045 -6.593 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.019 8.032 -5.073 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.438 6.706 -6.760 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -2.816 9.697 -5.233 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.031 9.037 -6.080 1.00 0.00 H new ATOM 1086 N GLU A 67 -0.816 6.499 -8.952 1.00 0.00 N ATOM 1087 CA GLU A 67 -0.478 7.628 -9.813 1.00 0.00 C ATOM 1088 C GLU A 67 0.962 7.525 -10.338 1.00 0.00 C ATOM 1089 O GLU A 67 1.582 8.521 -10.698 1.00 0.00 O ATOM 1090 CB GLU A 67 -0.689 8.954 -9.080 1.00 0.00 C ATOM 1091 CG GLU A 67 -2.147 9.312 -8.883 1.00 0.00 C ATOM 1092 CD GLU A 67 -2.885 9.422 -10.193 1.00 0.00 C ATOM 1093 OE1 GLU A 67 -2.623 10.386 -10.942 1.00 0.00 O ATOM 1094 OE2 GLU A 67 -3.718 8.542 -10.489 1.00 0.00 O ATOM 0 H GLU A 67 -1.622 5.960 -9.270 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.149 7.597 -10.672 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.201 8.903 -8.107 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.200 9.751 -9.640 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -2.625 8.556 -8.260 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.218 10.258 -8.346 1.00 0.00 H new ATOM 1101 N GLY A 68 1.477 6.307 -10.390 1.00 0.00 N ATOM 1102 CA GLY A 68 2.805 6.075 -10.918 1.00 0.00 C ATOM 1103 C GLY A 68 3.874 6.068 -9.848 1.00 0.00 C ATOM 1104 O GLY A 68 5.053 5.846 -10.133 1.00 0.00 O ATOM 0 H GLY A 68 0.994 5.467 -10.073 1.00 0.00 H new ATOM 0 HA2 GLY A 68 2.819 5.120 -11.444 1.00 0.00 H new ATOM 0 HA3 GLY A 68 3.038 6.847 -11.652 1.00 0.00 H new ATOM 1108 N GLN A 69 3.486 6.284 -8.605 1.00 0.00 N ATOM 1109 CA GLN A 69 4.448 6.339 -7.534 1.00 0.00 C ATOM 1110 C GLN A 69 4.304 5.129 -6.649 1.00 0.00 C ATOM 1111 O GLN A 69 3.195 4.741 -6.278 1.00 0.00 O ATOM 1112 CB GLN A 69 4.277 7.628 -6.731 1.00 0.00 C ATOM 1113 CG GLN A 69 3.064 7.647 -5.828 1.00 0.00 C ATOM 1114 CD GLN A 69 2.692 9.044 -5.386 1.00 0.00 C ATOM 1115 OE1 GLN A 69 3.550 9.900 -5.187 1.00 0.00 O ATOM 1116 NE2 GLN A 69 1.403 9.294 -5.264 1.00 0.00 N ATOM 0 H GLN A 69 2.517 6.423 -8.319 1.00 0.00 H new ATOM 0 HA GLN A 69 5.452 6.337 -7.958 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.169 7.784 -6.124 1.00 0.00 H new ATOM 0 HB3 GLN A 69 4.212 8.467 -7.424 1.00 0.00 H new ATOM 0 HG2 GLN A 69 2.219 7.198 -6.350 1.00 0.00 H new ATOM 0 HG3 GLN A 69 3.259 7.032 -4.950 1.00 0.00 H new ATOM 0 HE21 GLN A 69 0.722 8.555 -5.438 1.00 0.00 H new ATOM 0 HE22 GLN A 69 1.087 10.226 -4.995 1.00 0.00 H new ATOM 1125 N ARG A 70 5.406 4.514 -6.332 1.00 0.00 N ATOM 1126 CA ARG A 70 5.392 3.346 -5.489 1.00 0.00 C ATOM 1127 C ARG A 70 5.117 3.725 -4.048 1.00 0.00 C ATOM 1128 O ARG A 70 5.622 4.732 -3.536 1.00 0.00 O ATOM 1129 CB ARG A 70 6.700 2.556 -5.619 1.00 0.00 C ATOM 1130 CG ARG A 70 7.954 3.358 -5.313 1.00 0.00 C ATOM 1131 CD ARG A 70 9.204 2.597 -5.722 1.00 0.00 C ATOM 1132 NE ARG A 70 9.204 2.281 -7.156 1.00 0.00 N ATOM 1133 CZ ARG A 70 10.170 1.604 -7.780 1.00 0.00 C ATOM 1134 NH1 ARG A 70 11.242 1.187 -7.112 1.00 0.00 N ATOM 1135 NH2 ARG A 70 10.064 1.341 -9.076 1.00 0.00 N ATOM 0 H ARG A 70 6.333 4.801 -6.645 1.00 0.00 H new ATOM 0 HA ARG A 70 4.582 2.697 -5.823 1.00 0.00 H new ATOM 0 HB2 ARG A 70 6.660 1.698 -4.948 1.00 0.00 H new ATOM 0 HB3 ARG A 70 6.773 2.164 -6.633 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.917 4.312 -5.839 1.00 0.00 H new ATOM 0 HG3 ARG A 70 7.994 3.583 -4.247 1.00 0.00 H new ATOM 0 HD2 ARG A 70 10.086 3.190 -5.480 1.00 0.00 H new ATOM 0 HD3 ARG A 70 9.273 1.674 -5.146 1.00 0.00 H new ATOM 0 HE ARG A 70 8.412 2.601 -7.713 1.00 0.00 H new ATOM 0 HH11 ARG A 70 11.330 1.384 -6.115 1.00 0.00 H new ATOM 0 HH12 ARG A 70 11.976 0.670 -7.597 1.00 0.00 H new ATOM 0 HH21 ARG A 70 9.244 1.656 -9.595 1.00 0.00 H new ATOM 0 HH22 ARG A 70 10.802 0.824 -9.553 1.00 0.00 H new ATOM 1149 N ILE A 71 4.284 2.953 -3.397 1.00 0.00 N ATOM 1150 CA ILE A 71 3.946 3.216 -2.027 1.00 0.00 C ATOM 1151 C ILE A 71 5.076 2.764 -1.117 1.00 0.00 C ATOM 1152 O ILE A 71 5.227 1.580 -0.826 1.00 0.00 O ATOM 1153 CB ILE A 71 2.630 2.518 -1.611 1.00 0.00 C ATOM 1154 CG1 ILE A 71 1.572 2.627 -2.728 1.00 0.00 C ATOM 1155 CG2 ILE A 71 2.103 3.140 -0.332 1.00 0.00 C ATOM 1156 CD1 ILE A 71 1.185 4.050 -3.082 1.00 0.00 C ATOM 0 H ILE A 71 3.827 2.134 -3.799 1.00 0.00 H new ATOM 0 HA ILE A 71 3.798 4.291 -1.927 1.00 0.00 H new ATOM 0 HB ILE A 71 2.837 1.461 -1.441 1.00 0.00 H new ATOM 0 HG12 ILE A 71 1.952 2.133 -3.622 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.678 2.085 -2.420 1.00 0.00 H new ATOM 0 HG21 ILE A 71 1.176 2.646 -0.042 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.841 3.021 0.461 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.913 4.201 -0.495 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.437 4.037 -3.875 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.773 4.544 -2.202 1.00 0.00 H new ATOM 0 HD13 ILE A 71 2.067 4.593 -3.423 1.00 0.00 H new ATOM 1168 N ALA A 72 5.888 3.718 -0.695 1.00 0.00 N ATOM 1169 CA ALA A 72 7.014 3.460 0.175 1.00 0.00 C ATOM 1170 C ALA A 72 6.570 2.990 1.543 1.00 0.00 C ATOM 1171 O ALA A 72 5.400 3.127 1.924 1.00 0.00 O ATOM 1172 CB ALA A 72 7.852 4.710 0.318 1.00 0.00 C ATOM 0 H ALA A 72 5.780 4.700 -0.951 1.00 0.00 H new ATOM 0 HA ALA A 72 7.606 2.665 -0.279 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.698 4.508 0.975 1.00 0.00 H new ATOM 0 HB2 ALA A 72 8.218 5.017 -0.662 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.245 5.508 0.744 1.00 0.00 H new ATOM 1178 N ASP A 73 7.521 2.485 2.306 1.00 0.00 N ATOM 1179 CA ASP A 73 7.276 1.985 3.652 1.00 0.00 C ATOM 1180 C ASP A 73 6.802 3.100 4.575 1.00 0.00 C ATOM 1181 O ASP A 73 6.193 2.849 5.612 1.00 0.00 O ATOM 1182 CB ASP A 73 8.542 1.341 4.221 1.00 0.00 C ATOM 1183 CG ASP A 73 9.670 2.336 4.403 1.00 0.00 C ATOM 1184 OD1 ASP A 73 10.243 2.778 3.386 1.00 0.00 O ATOM 1185 OD2 ASP A 73 9.987 2.677 5.559 1.00 0.00 O ATOM 0 H ASP A 73 8.494 2.408 2.010 1.00 0.00 H new ATOM 0 HA ASP A 73 6.489 1.233 3.590 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.311 0.880 5.181 1.00 0.00 H new ATOM 0 HB3 ASP A 73 8.870 0.543 3.555 1.00 0.00 H new ATOM 1190 N ASN A 74 7.069 4.337 4.195 1.00 0.00 N ATOM 1191 CA ASN A 74 6.688 5.479 5.003 1.00 0.00 C ATOM 1192 C ASN A 74 5.624 6.309 4.293 1.00 0.00 C ATOM 1193 O ASN A 74 5.271 7.401 4.737 1.00 0.00 O ATOM 1194 CB ASN A 74 7.913 6.348 5.318 1.00 0.00 C ATOM 1195 CG ASN A 74 8.569 6.914 4.069 1.00 0.00 C ATOM 1196 OD1 ASN A 74 8.221 8.000 3.607 1.00 0.00 O ATOM 1197 ND2 ASN A 74 9.525 6.190 3.525 1.00 0.00 N ATOM 0 H ASN A 74 7.550 4.576 3.328 1.00 0.00 H new ATOM 0 HA ASN A 74 6.272 5.109 5.940 1.00 0.00 H new ATOM 0 HB2 ASN A 74 7.613 7.169 5.969 1.00 0.00 H new ATOM 0 HB3 ASN A 74 8.642 5.754 5.869 1.00 0.00 H new ATOM 0 HD21 ASN A 74 10.006 6.525 2.690 1.00 0.00 H new ATOM 0 HD22 ASN A 74 9.784 5.294 3.938 1.00 0.00 H new ATOM 1204 N HIS A 75 5.094 5.794 3.186 1.00 0.00 N ATOM 1205 CA HIS A 75 4.071 6.520 2.452 1.00 0.00 C ATOM 1206 C HIS A 75 2.711 6.319 3.087 1.00 0.00 C ATOM 1207 O HIS A 75 2.360 5.215 3.516 1.00 0.00 O ATOM 1208 CB HIS A 75 4.039 6.117 0.979 1.00 0.00 C ATOM 1209 CG HIS A 75 4.822 7.034 0.086 1.00 0.00 C ATOM 1210 ND1 HIS A 75 5.008 6.804 -1.264 1.00 0.00 N ATOM 1211 CD2 HIS A 75 5.448 8.209 0.348 1.00 0.00 C ATOM 1212 CE1 HIS A 75 5.707 7.793 -1.783 1.00 0.00 C ATOM 1213 NE2 HIS A 75 5.985 8.653 -0.828 1.00 0.00 N ATOM 0 H HIS A 75 5.353 4.892 2.786 1.00 0.00 H new ATOM 0 HA HIS A 75 4.325 7.579 2.499 1.00 0.00 H new ATOM 0 HB2 HIS A 75 4.431 5.105 0.880 1.00 0.00 H new ATOM 0 HB3 HIS A 75 3.003 6.092 0.641 1.00 0.00 H new ATOM 0 HD2 HIS A 75 5.510 8.702 1.307 1.00 0.00 H new ATOM 0 HE1 HIS A 75 6.002 7.882 -2.818 1.00 0.00 H new ATOM 0 HE2 HIS A 75 6.517 9.515 -0.946 1.00 0.00 H new ATOM 1222 N THR A 76 1.943 7.387 3.152 1.00 0.00 N ATOM 1223 CA THR A 76 0.636 7.372 3.772 1.00 0.00 C ATOM 1224 C THR A 76 -0.369 8.056 2.854 1.00 0.00 C ATOM 1225 O THR A 76 0.034 8.719 1.888 1.00 0.00 O ATOM 1226 CB THR A 76 0.690 8.151 5.108 1.00 0.00 C ATOM 1227 OG1 THR A 76 0.979 9.523 4.847 1.00 0.00 O ATOM 1228 CG2 THR A 76 1.772 7.603 6.002 1.00 0.00 C ATOM 0 H THR A 76 2.211 8.295 2.773 1.00 0.00 H new ATOM 0 HA THR A 76 0.337 6.339 3.952 1.00 0.00 H new ATOM 0 HB THR A 76 -0.276 8.048 5.602 1.00 0.00 H new ATOM 0 HG1 THR A 76 1.811 9.774 5.299 1.00 0.00 H new ATOM 0 HG21 THR A 76 1.792 8.165 6.936 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.571 6.553 6.215 1.00 0.00 H new ATOM 0 HG23 THR A 76 2.737 7.694 5.503 1.00 0.00 H new ATOM 1236 N PRO A 77 -1.686 7.912 3.114 1.00 0.00 N ATOM 1237 CA PRO A 77 -2.705 8.603 2.331 1.00 0.00 C ATOM 1238 C PRO A 77 -2.541 10.119 2.416 1.00 0.00 C ATOM 1239 O PRO A 77 -2.787 10.840 1.449 1.00 0.00 O ATOM 1240 CB PRO A 77 -4.033 8.164 2.968 1.00 0.00 C ATOM 1241 CG PRO A 77 -3.665 7.609 4.302 1.00 0.00 C ATOM 1242 CD PRO A 77 -2.285 7.050 4.153 1.00 0.00 C ATOM 0 HA PRO A 77 -2.644 8.357 1.271 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -4.719 9.006 3.068 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -4.535 7.415 2.355 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -3.691 8.385 5.067 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.368 6.835 4.609 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -1.727 7.098 5.088 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -2.304 6.004 3.847 1.00 0.00 H new ATOM 1250 N LYS A 78 -2.091 10.600 3.576 1.00 0.00 N ATOM 1251 CA LYS A 78 -1.888 12.027 3.787 1.00 0.00 C ATOM 1252 C LYS A 78 -0.621 12.490 3.075 1.00 0.00 C ATOM 1253 O LYS A 78 -0.510 13.639 2.654 1.00 0.00 O ATOM 1254 CB LYS A 78 -1.819 12.339 5.296 1.00 0.00 C ATOM 1255 CG LYS A 78 -0.520 11.923 5.990 1.00 0.00 C ATOM 1256 CD LYS A 78 0.479 13.069 6.066 1.00 0.00 C ATOM 1257 CE LYS A 78 1.753 12.646 6.777 1.00 0.00 C ATOM 1258 NZ LYS A 78 2.800 13.693 6.716 1.00 0.00 N ATOM 0 H LYS A 78 -1.861 10.019 4.382 1.00 0.00 H new ATOM 0 HA LYS A 78 -2.733 12.571 3.366 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.959 13.411 5.436 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -2.652 11.841 5.792 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -0.744 11.570 6.997 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -0.073 11.088 5.451 1.00 0.00 H new ATOM 0 HD2 LYS A 78 0.719 13.412 5.060 1.00 0.00 H new ATOM 0 HD3 LYS A 78 0.030 13.912 6.592 1.00 0.00 H new ATOM 0 HE2 LYS A 78 1.528 12.420 7.819 1.00 0.00 H new ATOM 0 HE3 LYS A 78 2.132 11.729 6.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 3.668 13.343 7.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 2.998 13.928 5.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 2.469 14.544 7.214 1.00 0.00 H new ATOM 1272 N GLU A 79 0.335 11.584 2.936 1.00 0.00 N ATOM 1273 CA GLU A 79 1.592 11.904 2.297 1.00 0.00 C ATOM 1274 C GLU A 79 1.400 12.012 0.804 1.00 0.00 C ATOM 1275 O GLU A 79 1.882 12.936 0.159 1.00 0.00 O ATOM 1276 CB GLU A 79 2.623 10.828 2.593 1.00 0.00 C ATOM 1277 CG GLU A 79 4.001 11.378 2.860 1.00 0.00 C ATOM 1278 CD GLU A 79 4.048 12.166 4.149 1.00 0.00 C ATOM 1279 OE1 GLU A 79 3.639 13.354 4.151 1.00 0.00 O ATOM 1280 OE2 GLU A 79 4.462 11.595 5.180 1.00 0.00 O ATOM 0 H GLU A 79 0.259 10.620 3.260 1.00 0.00 H new ATOM 0 HA GLU A 79 1.945 12.858 2.689 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.296 10.250 3.458 1.00 0.00 H new ATOM 0 HB3 GLU A 79 2.672 10.140 1.749 1.00 0.00 H new ATOM 0 HG2 GLU A 79 4.717 10.558 2.909 1.00 0.00 H new ATOM 0 HG3 GLU A 79 4.305 12.018 2.031 1.00 0.00 H new ATOM 1287 N LEU A 80 0.679 11.061 0.264 1.00 0.00 N ATOM 1288 CA LEU A 80 0.432 10.988 -1.157 1.00 0.00 C ATOM 1289 C LEU A 80 -0.690 11.936 -1.587 1.00 0.00 C ATOM 1290 O LEU A 80 -0.920 12.149 -2.780 1.00 0.00 O ATOM 1291 CB LEU A 80 0.103 9.550 -1.522 1.00 0.00 C ATOM 1292 CG LEU A 80 1.194 8.542 -1.158 1.00 0.00 C ATOM 1293 CD1 LEU A 80 0.673 7.129 -1.231 1.00 0.00 C ATOM 1294 CD2 LEU A 80 2.389 8.712 -2.069 1.00 0.00 C ATOM 0 H LEU A 80 0.244 10.310 0.800 1.00 0.00 H new ATOM 0 HA LEU A 80 1.328 11.306 -1.690 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.822 9.263 -1.021 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.084 9.494 -2.594 1.00 0.00 H new ATOM 0 HG LEU A 80 1.505 8.733 -0.131 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.470 6.433 -0.967 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.157 7.011 -0.535 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.329 6.920 -2.244 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.158 7.988 -1.799 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.084 8.549 -3.103 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.787 9.721 -1.963 1.00 0.00 H new ATOM 1306 N GLY A 81 -1.397 12.501 -0.612 1.00 0.00 N ATOM 1307 CA GLY A 81 -2.463 13.444 -0.909 1.00 0.00 C ATOM 1308 C GLY A 81 -3.681 12.785 -1.529 1.00 0.00 C ATOM 1309 O GLY A 81 -4.378 13.385 -2.346 1.00 0.00 O ATOM 0 H GLY A 81 -1.250 12.322 0.381 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -2.759 13.951 0.010 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.085 14.209 -1.588 1.00 0.00 H new ATOM 1313 N MET A 82 -3.945 11.552 -1.147 1.00 0.00 N ATOM 1314 CA MET A 82 -5.089 10.815 -1.667 1.00 0.00 C ATOM 1315 C MET A 82 -6.342 11.120 -0.855 1.00 0.00 C ATOM 1316 O MET A 82 -6.289 11.837 0.147 1.00 0.00 O ATOM 1317 CB MET A 82 -4.815 9.314 -1.618 1.00 0.00 C ATOM 1318 CG MET A 82 -3.565 8.901 -2.358 1.00 0.00 C ATOM 1319 SD MET A 82 -3.320 7.118 -2.374 1.00 0.00 S ATOM 1320 CE MET A 82 -3.089 6.796 -0.641 1.00 0.00 C ATOM 0 H MET A 82 -3.381 11.033 -0.474 1.00 0.00 H new ATOM 0 HA MET A 82 -5.249 11.125 -2.700 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.730 9.003 -0.577 1.00 0.00 H new ATOM 0 HB3 MET A 82 -5.669 8.784 -2.040 1.00 0.00 H new ATOM 0 HG2 MET A 82 -3.619 9.265 -3.384 1.00 0.00 H new ATOM 0 HG3 MET A 82 -2.701 9.378 -1.896 1.00 0.00 H new ATOM 0 HE1 MET A 82 -2.890 5.735 -0.492 1.00 0.00 H new ATOM 0 HE2 MET A 82 -2.245 7.379 -0.272 1.00 0.00 H new ATOM 0 HE3 MET A 82 -3.990 7.076 -0.096 1.00 0.00 H new ATOM 1330 N GLU A 83 -7.466 10.577 -1.283 1.00 0.00 N ATOM 1331 CA GLU A 83 -8.717 10.729 -0.562 1.00 0.00 C ATOM 1332 C GLU A 83 -9.233 9.372 -0.150 1.00 0.00 C ATOM 1333 O GLU A 83 -8.581 8.353 -0.379 1.00 0.00 O ATOM 1334 CB GLU A 83 -9.773 11.447 -1.395 1.00 0.00 C ATOM 1335 CG GLU A 83 -9.430 12.874 -1.748 1.00 0.00 C ATOM 1336 CD GLU A 83 -10.646 13.651 -2.174 1.00 0.00 C ATOM 1337 OE1 GLU A 83 -11.237 13.308 -3.219 1.00 0.00 O ATOM 1338 OE2 GLU A 83 -11.037 14.594 -1.450 1.00 0.00 O ATOM 0 H GLU A 83 -7.539 10.021 -2.135 1.00 0.00 H new ATOM 0 HA GLU A 83 -8.519 11.339 0.319 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -9.933 10.887 -2.316 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -10.716 11.438 -0.849 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -8.970 13.361 -0.888 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -8.693 12.883 -2.551 1.00 0.00 H new ATOM 1345 N GLU A 84 -10.403 9.339 0.449 1.00 0.00 N ATOM 1346 CA GLU A 84 -10.966 8.095 0.895 1.00 0.00 C ATOM 1347 C GLU A 84 -11.752 7.412 -0.215 1.00 0.00 C ATOM 1348 O GLU A 84 -12.174 8.051 -1.183 1.00 0.00 O ATOM 1349 CB GLU A 84 -11.819 8.295 2.168 1.00 0.00 C ATOM 1350 CG GLU A 84 -13.017 9.225 2.015 1.00 0.00 C ATOM 1351 CD GLU A 84 -14.197 8.552 1.355 1.00 0.00 C ATOM 1352 OE1 GLU A 84 -14.725 7.577 1.935 1.00 0.00 O ATOM 1353 OE2 GLU A 84 -14.608 8.993 0.257 1.00 0.00 O ATOM 0 H GLU A 84 -10.978 10.161 0.636 1.00 0.00 H new ATOM 0 HA GLU A 84 -10.143 7.430 1.158 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.177 7.321 2.501 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.177 8.685 2.957 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.315 9.591 2.997 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -12.724 10.094 1.427 1.00 0.00 H new ATOM 1360 N GLU A 85 -11.888 6.096 -0.089 1.00 0.00 N ATOM 1361 CA GLU A 85 -12.636 5.259 -1.022 1.00 0.00 C ATOM 1362 C GLU A 85 -11.889 5.130 -2.355 1.00 0.00 C ATOM 1363 O GLU A 85 -12.408 4.584 -3.336 1.00 0.00 O ATOM 1364 CB GLU A 85 -14.054 5.818 -1.217 1.00 0.00 C ATOM 1365 CG GLU A 85 -15.053 4.835 -1.799 1.00 0.00 C ATOM 1366 CD GLU A 85 -16.460 5.379 -1.755 1.00 0.00 C ATOM 1367 OE1 GLU A 85 -17.107 5.278 -0.691 1.00 0.00 O ATOM 1368 OE2 GLU A 85 -16.923 5.923 -2.776 1.00 0.00 O ATOM 0 H GLU A 85 -11.473 5.570 0.680 1.00 0.00 H new ATOM 0 HA GLU A 85 -12.726 4.257 -0.603 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -14.427 6.166 -0.254 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -13.999 6.688 -1.871 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -14.782 4.608 -2.830 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -15.007 3.898 -1.244 1.00 0.00 H new ATOM 1375 N ASP A 86 -10.655 5.627 -2.385 1.00 0.00 N ATOM 1376 CA ASP A 86 -9.833 5.556 -3.582 1.00 0.00 C ATOM 1377 C ASP A 86 -9.227 4.161 -3.739 1.00 0.00 C ATOM 1378 O ASP A 86 -9.436 3.267 -2.887 1.00 0.00 O ATOM 1379 CB ASP A 86 -8.738 6.630 -3.571 1.00 0.00 C ATOM 1380 CG ASP A 86 -8.340 7.059 -4.978 1.00 0.00 C ATOM 1381 OD1 ASP A 86 -7.564 6.342 -5.627 1.00 0.00 O ATOM 1382 OD2 ASP A 86 -8.831 8.112 -5.442 1.00 0.00 O ATOM 0 H ASP A 86 -10.205 6.083 -1.591 1.00 0.00 H new ATOM 0 HA ASP A 86 -10.476 5.749 -4.441 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -9.089 7.499 -3.013 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.862 6.248 -3.048 1.00 0.00 H new ATOM 1387 N VAL A 87 -8.451 3.965 -4.793 1.00 0.00 N ATOM 1388 CA VAL A 87 -7.924 2.659 -5.110 1.00 0.00 C ATOM 1389 C VAL A 87 -6.444 2.716 -5.491 1.00 0.00 C ATOM 1390 O VAL A 87 -6.020 3.512 -6.332 1.00 0.00 O ATOM 1391 CB VAL A 87 -8.739 1.966 -6.247 1.00 0.00 C ATOM 1392 CG1 VAL A 87 -10.196 1.817 -5.846 1.00 0.00 C ATOM 1393 CG2 VAL A 87 -8.637 2.743 -7.552 1.00 0.00 C ATOM 0 H VAL A 87 -8.174 4.701 -5.443 1.00 0.00 H new ATOM 0 HA VAL A 87 -8.021 2.063 -4.203 1.00 0.00 H new ATOM 0 HB VAL A 87 -8.311 0.976 -6.403 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -10.747 1.332 -6.652 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -10.265 1.211 -4.943 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -10.623 2.801 -5.655 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -9.215 2.235 -8.324 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -9.030 3.750 -7.408 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -7.593 2.802 -7.860 1.00 0.00 H new ATOM 1403 N ILE A 88 -5.661 1.874 -4.857 1.00 0.00 N ATOM 1404 CA ILE A 88 -4.243 1.771 -5.153 1.00 0.00 C ATOM 1405 C ILE A 88 -4.020 0.578 -6.061 1.00 0.00 C ATOM 1406 O ILE A 88 -4.666 -0.459 -5.893 1.00 0.00 O ATOM 1407 CB ILE A 88 -3.377 1.622 -3.852 1.00 0.00 C ATOM 1408 CG1 ILE A 88 -3.217 2.974 -3.129 1.00 0.00 C ATOM 1409 CG2 ILE A 88 -2.006 1.027 -4.163 1.00 0.00 C ATOM 1410 CD1 ILE A 88 -4.501 3.550 -2.580 1.00 0.00 C ATOM 0 H ILE A 88 -5.983 1.242 -4.124 1.00 0.00 H new ATOM 0 HA ILE A 88 -3.928 2.691 -5.645 1.00 0.00 H new ATOM 0 HB ILE A 88 -3.907 0.937 -3.189 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -2.510 2.851 -2.309 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -2.779 3.692 -3.822 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -1.431 0.937 -3.241 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -2.130 0.041 -4.611 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.476 1.678 -4.859 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -4.293 4.500 -2.089 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.206 3.710 -3.396 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -4.932 2.856 -1.859 1.00 0.00 H new ATOM 1422 N GLU A 89 -3.090 0.693 -6.988 1.00 0.00 N ATOM 1423 CA GLU A 89 -2.849 -0.355 -7.958 1.00 0.00 C ATOM 1424 C GLU A 89 -1.653 -1.196 -7.520 1.00 0.00 C ATOM 1425 O GLU A 89 -0.670 -0.675 -6.971 1.00 0.00 O ATOM 1426 CB GLU A 89 -2.587 0.262 -9.333 1.00 0.00 C ATOM 1427 CG GLU A 89 -2.374 -0.749 -10.443 1.00 0.00 C ATOM 1428 CD GLU A 89 -3.624 -1.532 -10.766 1.00 0.00 C ATOM 1429 OE1 GLU A 89 -4.467 -1.022 -11.537 1.00 0.00 O ATOM 1430 OE2 GLU A 89 -3.771 -2.657 -10.262 1.00 0.00 O ATOM 0 H GLU A 89 -2.485 1.508 -7.090 1.00 0.00 H new ATOM 0 HA GLU A 89 -3.728 -0.997 -8.023 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -3.429 0.901 -9.597 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -1.708 0.903 -9.268 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -2.033 -0.232 -11.340 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -1.582 -1.440 -10.153 1.00 0.00 H new ATOM 1437 N VAL A 90 -1.734 -2.486 -7.731 1.00 0.00 N ATOM 1438 CA VAL A 90 -0.681 -3.390 -7.339 1.00 0.00 C ATOM 1439 C VAL A 90 -0.400 -4.431 -8.425 1.00 0.00 C ATOM 1440 O VAL A 90 -1.309 -5.082 -8.945 1.00 0.00 O ATOM 1441 CB VAL A 90 -1.020 -4.106 -5.997 1.00 0.00 C ATOM 1442 CG1 VAL A 90 -0.195 -5.357 -5.833 1.00 0.00 C ATOM 1443 CG2 VAL A 90 -0.787 -3.177 -4.815 1.00 0.00 C ATOM 0 H VAL A 90 -2.531 -2.939 -8.179 1.00 0.00 H new ATOM 0 HA VAL A 90 0.216 -2.788 -7.198 1.00 0.00 H new ATOM 0 HB VAL A 90 -2.074 -4.382 -6.025 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -0.449 -5.839 -4.889 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -0.402 -6.040 -6.657 1.00 0.00 H new ATOM 0 HG13 VAL A 90 0.864 -5.097 -5.834 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -1.030 -3.698 -3.889 1.00 0.00 H new ATOM 0 HG22 VAL A 90 0.259 -2.870 -4.794 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.422 -2.297 -4.913 1.00 0.00 H new ATOM 1453 N TYR A 91 0.861 -4.592 -8.766 1.00 0.00 N ATOM 1454 CA TYR A 91 1.257 -5.578 -9.743 1.00 0.00 C ATOM 1455 C TYR A 91 2.109 -6.632 -9.084 1.00 0.00 C ATOM 1456 O TYR A 91 2.982 -6.324 -8.285 1.00 0.00 O ATOM 1457 CB TYR A 91 1.998 -4.941 -10.912 1.00 0.00 C ATOM 1458 CG TYR A 91 1.162 -3.945 -11.675 1.00 0.00 C ATOM 1459 CD1 TYR A 91 0.181 -4.370 -12.560 1.00 0.00 C ATOM 1460 CD2 TYR A 91 1.342 -2.584 -11.502 1.00 0.00 C ATOM 1461 CE1 TYR A 91 -0.595 -3.467 -13.253 1.00 0.00 C ATOM 1462 CE2 TYR A 91 0.570 -1.672 -12.189 1.00 0.00 C ATOM 1463 CZ TYR A 91 -0.398 -2.118 -13.064 1.00 0.00 C ATOM 1464 OH TYR A 91 -1.172 -1.211 -13.750 1.00 0.00 O ATOM 0 H TYR A 91 1.632 -4.048 -8.377 1.00 0.00 H new ATOM 0 HA TYR A 91 0.357 -6.043 -10.145 1.00 0.00 H new ATOM 0 HB2 TYR A 91 2.893 -4.443 -10.538 1.00 0.00 H new ATOM 0 HB3 TYR A 91 2.330 -5.724 -11.593 1.00 0.00 H new ATOM 0 HD1 TYR A 91 0.023 -5.428 -12.708 1.00 0.00 H new ATOM 0 HD2 TYR A 91 2.099 -2.231 -10.818 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -1.352 -3.815 -13.940 1.00 0.00 H new ATOM 0 HE2 TYR A 91 0.723 -0.613 -12.043 1.00 0.00 H new ATOM 0 HH TYR A 91 -0.907 -0.301 -13.502 1.00 0.00 H new ATOM 1474 N GLN A 92 1.865 -7.872 -9.410 1.00 0.00 N ATOM 1475 CA GLN A 92 2.571 -8.965 -8.785 1.00 0.00 C ATOM 1476 C GLN A 92 3.198 -9.890 -9.820 1.00 0.00 C ATOM 1477 O GLN A 92 2.578 -10.234 -10.833 1.00 0.00 O ATOM 1478 CB GLN A 92 1.617 -9.767 -7.884 1.00 0.00 C ATOM 1479 CG GLN A 92 0.481 -10.444 -8.648 1.00 0.00 C ATOM 1480 CD GLN A 92 -0.447 -11.258 -7.768 1.00 0.00 C ATOM 1481 OE1 GLN A 92 -1.001 -12.260 -8.204 1.00 0.00 O ATOM 1482 NE2 GLN A 92 -0.644 -10.823 -6.539 1.00 0.00 N ATOM 0 H GLN A 92 1.179 -8.155 -10.109 1.00 0.00 H new ATOM 0 HA GLN A 92 3.372 -8.539 -8.181 1.00 0.00 H new ATOM 0 HB2 GLN A 92 2.188 -10.526 -7.349 1.00 0.00 H new ATOM 0 HB3 GLN A 92 1.192 -9.100 -7.134 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -0.101 -9.682 -9.167 1.00 0.00 H new ATOM 0 HG3 GLN A 92 0.906 -11.095 -9.412 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -0.164 -9.984 -6.212 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -1.276 -11.325 -5.915 1.00 0.00 H new