USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 619 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 24 LYS NZ :NH3+ -133:sc=-0.00437 (180deg=-1.39) USER MOD Single : A 25 HIS : no HD1:sc= -0.0511 X(o=-0.051,f=-0.24) USER MOD Single : A 35 MET CE :methyl 173:sc= -0.017 (180deg=-0.0683) USER MOD Single : A 36 LYS NZ :NH3+ 151:sc= -0.0545 (180deg=-0.457) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 MET CE :methyl -178:sc= -7.03! (180deg=-7.08!) USER MOD Single : A 42 GLN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 43 HIS : no HD1:sc= -0.122 K(o=-0.12,f=-1.1) USER MOD Single : A 44 ASN : amide:sc=-0.00773 K(o=-0.0077,f=-0.87) USER MOD Single : A 51 THR OG1 : rot 74:sc= 1.12 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 GLN : amide:sc= -2.62! C(o=-2.6!,f=-4.7!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 16:sc= -0.775 USER MOD Single : A 86 LYS NZ :NH3+ -112:sc= -0.0221 (180deg=-2.33) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 30:sc= -0.04 USER MOD ----------------------------------------------------------------- ATOM 365 N LYS A 24 -4.244 -12.650 -15.160 1.00 0.00 N ATOM 366 CA LYS A 24 -4.107 -11.478 -16.016 1.00 0.00 C ATOM 367 C LYS A 24 -4.712 -10.242 -15.355 1.00 0.00 C ATOM 368 O LYS A 24 -4.281 -9.117 -15.611 1.00 0.00 O ATOM 369 CB LYS A 24 -4.780 -11.728 -17.366 1.00 0.00 C ATOM 370 CG LYS A 24 -4.220 -12.930 -18.112 1.00 0.00 C ATOM 371 CD LYS A 24 -3.706 -12.546 -19.491 1.00 0.00 C ATOM 372 CE LYS A 24 -2.254 -12.097 -19.440 1.00 0.00 C ATOM 373 NZ LYS A 24 -2.001 -10.932 -20.333 1.00 0.00 N ATOM 0 HA LYS A 24 -3.044 -11.298 -16.173 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.849 -11.874 -17.208 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.668 -10.840 -17.988 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.410 -13.373 -17.532 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.995 -13.690 -18.211 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.801 -13.397 -20.166 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.322 -11.745 -19.900 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.991 -11.833 -18.416 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.608 -12.925 -19.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.143 -11.105 -20.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -2.812 -10.801 -20.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.872 -10.075 -19.758 1.00 0.00 H new ATOM 387 N HIS A 25 -5.712 -10.457 -14.507 1.00 0.00 N ATOM 388 CA HIS A 25 -6.375 -9.358 -13.814 1.00 0.00 C ATOM 389 C HIS A 25 -5.696 -9.059 -12.480 1.00 0.00 C ATOM 390 O HIS A 25 -5.727 -7.928 -11.997 1.00 0.00 O ATOM 391 CB HIS A 25 -7.852 -9.689 -13.588 1.00 0.00 C ATOM 392 CG HIS A 25 -8.789 -8.767 -14.307 1.00 0.00 C ATOM 393 ND1 HIS A 25 -8.677 -7.393 -14.258 1.00 0.00 N ATOM 394 CD2 HIS A 25 -9.857 -9.028 -15.096 1.00 0.00 C ATOM 395 CE1 HIS A 25 -9.638 -6.850 -14.985 1.00 0.00 C ATOM 396 NE2 HIS A 25 -10.367 -7.820 -15.504 1.00 0.00 N ATOM 0 H HIS A 25 -6.081 -11.381 -14.283 1.00 0.00 H new ATOM 0 HA HIS A 25 -6.300 -8.470 -14.441 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -8.041 -10.712 -13.914 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -8.065 -9.650 -12.520 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -10.237 -10.005 -15.356 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -9.799 -5.792 -15.130 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -11.178 -7.693 -16.110 1.00 0.00 H new ATOM 405 N GLU A 26 -5.086 -10.082 -11.888 1.00 0.00 N ATOM 406 CA GLU A 26 -4.403 -9.927 -10.609 1.00 0.00 C ATOM 407 C GLU A 26 -3.290 -8.888 -10.705 1.00 0.00 C ATOM 408 O GLU A 26 -3.047 -8.137 -9.760 1.00 0.00 O ATOM 409 CB GLU A 26 -3.828 -11.267 -10.149 1.00 0.00 C ATOM 410 CG GLU A 26 -3.131 -11.197 -8.802 1.00 0.00 C ATOM 411 CD GLU A 26 -4.085 -11.395 -7.640 1.00 0.00 C ATOM 412 OE1 GLU A 26 -4.900 -10.485 -7.379 1.00 0.00 O ATOM 413 OE2 GLU A 26 -4.017 -12.461 -6.991 1.00 0.00 O ATOM 0 H GLU A 26 -5.051 -11.026 -12.274 1.00 0.00 H new ATOM 0 HA GLU A 26 -5.133 -9.581 -9.877 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.633 -11.999 -10.095 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -3.121 -11.626 -10.897 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.351 -11.958 -8.761 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.638 -10.230 -8.702 1.00 0.00 H new ATOM 420 N ILE A 27 -2.616 -8.851 -11.849 1.00 0.00 N ATOM 421 CA ILE A 27 -1.531 -7.902 -12.062 1.00 0.00 C ATOM 422 C ILE A 27 -2.072 -6.512 -12.377 1.00 0.00 C ATOM 423 O ILE A 27 -1.501 -5.504 -11.961 1.00 0.00 O ATOM 424 CB ILE A 27 -0.599 -8.350 -13.206 1.00 0.00 C ATOM 425 CG1 ILE A 27 -0.232 -9.829 -13.053 1.00 0.00 C ATOM 426 CG2 ILE A 27 0.655 -7.491 -13.231 1.00 0.00 C ATOM 427 CD1 ILE A 27 0.121 -10.501 -14.361 1.00 0.00 C ATOM 0 H ILE A 27 -2.802 -9.466 -12.641 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.959 -7.867 -11.135 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.126 -8.224 -14.152 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.612 -9.917 -12.369 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.069 -10.358 -12.596 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.304 -7.818 -14.043 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.379 -6.448 -13.385 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.183 -7.590 -12.283 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.370 -11.546 -14.177 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.730 -10.445 -15.040 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.977 -9.997 -14.809 1.00 0.00 H new ATOM 439 N GLU A 28 -3.179 -6.466 -13.112 1.00 0.00 N ATOM 440 CA GLU A 28 -3.799 -5.199 -13.479 1.00 0.00 C ATOM 441 C GLU A 28 -4.346 -4.484 -12.247 1.00 0.00 C ATOM 442 O GLU A 28 -4.195 -3.272 -12.102 1.00 0.00 O ATOM 443 CB GLU A 28 -4.925 -5.431 -14.490 1.00 0.00 C ATOM 444 CG GLU A 28 -5.494 -4.146 -15.070 1.00 0.00 C ATOM 445 CD GLU A 28 -6.849 -4.351 -15.719 1.00 0.00 C ATOM 446 OE1 GLU A 28 -6.887 -4.736 -16.907 1.00 0.00 O ATOM 447 OE2 GLU A 28 -7.873 -4.127 -15.040 1.00 0.00 O ATOM 0 H GLU A 28 -3.664 -7.291 -13.465 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.035 -4.568 -13.934 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.550 -6.052 -15.303 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.727 -5.989 -14.007 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.583 -3.402 -14.278 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.799 -3.745 -15.807 1.00 0.00 H new ATOM 454 N ALA A 29 -4.980 -5.247 -11.362 1.00 0.00 N ATOM 455 CA ALA A 29 -5.548 -4.689 -10.141 1.00 0.00 C ATOM 456 C ALA A 29 -4.452 -4.213 -9.195 1.00 0.00 C ATOM 457 O ALA A 29 -4.625 -3.230 -8.474 1.00 0.00 O ATOM 458 CB ALA A 29 -6.432 -5.717 -9.452 1.00 0.00 C ATOM 0 H ALA A 29 -5.113 -6.253 -11.468 1.00 0.00 H new ATOM 0 HA ALA A 29 -6.157 -3.827 -10.414 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.849 -5.286 -8.542 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -7.242 -6.007 -10.121 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.839 -6.596 -9.199 1.00 0.00 H new ATOM 464 N ALA A 30 -3.325 -4.916 -9.202 1.00 0.00 N ATOM 465 CA ALA A 30 -2.199 -4.566 -8.344 1.00 0.00 C ATOM 466 C ALA A 30 -1.709 -3.151 -8.630 1.00 0.00 C ATOM 467 O ALA A 30 -1.396 -2.395 -7.712 1.00 0.00 O ATOM 468 CB ALA A 30 -1.068 -5.566 -8.525 1.00 0.00 C ATOM 0 H ALA A 30 -3.167 -5.732 -9.793 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.538 -4.601 -7.309 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.234 -5.293 -7.879 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -1.419 -6.564 -8.262 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.739 -5.559 -9.564 1.00 0.00 H new ATOM 474 N ILE A 31 -1.646 -2.799 -9.910 1.00 0.00 N ATOM 475 CA ILE A 31 -1.195 -1.473 -10.317 1.00 0.00 C ATOM 476 C ILE A 31 -2.164 -0.396 -9.840 1.00 0.00 C ATOM 477 O ILE A 31 -1.756 0.599 -9.240 1.00 0.00 O ATOM 478 CB ILE A 31 -1.044 -1.372 -11.847 1.00 0.00 C ATOM 479 CG1 ILE A 31 -0.174 -2.515 -12.375 1.00 0.00 C ATOM 480 CG2 ILE A 31 -0.449 -0.026 -12.235 1.00 0.00 C ATOM 481 CD1 ILE A 31 -0.019 -2.511 -13.880 1.00 0.00 C ATOM 0 H ILE A 31 -1.901 -3.413 -10.683 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.220 -1.315 -9.855 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.033 -1.455 -12.298 1.00 0.00 H new ATOM 0 HG12 ILE A 31 0.813 -2.452 -11.916 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.609 -3.465 -12.065 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.349 0.029 -13.319 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.104 0.774 -11.890 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.533 0.084 -11.774 1.00 0.00 H new ATOM 0 HD11 ILE A 31 0.610 -3.348 -14.183 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.999 -2.605 -14.347 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.445 -1.576 -14.196 1.00 0.00 H new ATOM 493 N VAL A 32 -3.448 -0.601 -10.112 1.00 0.00 N ATOM 494 CA VAL A 32 -4.476 0.352 -9.712 1.00 0.00 C ATOM 495 C VAL A 32 -4.547 0.485 -8.195 1.00 0.00 C ATOM 496 O VAL A 32 -4.911 1.537 -7.670 1.00 0.00 O ATOM 497 CB VAL A 32 -5.862 -0.063 -10.244 1.00 0.00 C ATOM 498 CG1 VAL A 32 -6.888 1.029 -9.978 1.00 0.00 C ATOM 499 CG2 VAL A 32 -5.790 -0.388 -11.728 1.00 0.00 C ATOM 0 H VAL A 32 -3.802 -1.419 -10.608 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.199 1.314 -10.144 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.178 -0.961 -9.714 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.859 0.717 -10.361 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -6.961 1.206 -8.905 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.579 1.948 -10.477 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -6.778 -0.679 -12.085 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.450 0.490 -12.277 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.091 -1.209 -11.887 1.00 0.00 H new ATOM 509 N ARG A 33 -4.198 -0.589 -7.494 1.00 0.00 N ATOM 510 CA ARG A 33 -4.226 -0.592 -6.036 1.00 0.00 C ATOM 511 C ARG A 33 -3.102 0.266 -5.461 1.00 0.00 C ATOM 512 O ARG A 33 -3.323 1.064 -4.550 1.00 0.00 O ATOM 513 CB ARG A 33 -4.110 -2.024 -5.507 1.00 0.00 C ATOM 514 CG ARG A 33 -5.035 -2.318 -4.336 1.00 0.00 C ATOM 515 CD ARG A 33 -6.114 -3.324 -4.708 1.00 0.00 C ATOM 516 NE ARG A 33 -6.263 -4.366 -3.695 1.00 0.00 N ATOM 517 CZ ARG A 33 -5.342 -5.295 -3.448 1.00 0.00 C ATOM 518 NH1 ARG A 33 -4.207 -5.314 -4.136 1.00 0.00 N ATOM 519 NH2 ARG A 33 -5.556 -6.207 -2.510 1.00 0.00 N ATOM 0 H ARG A 33 -3.893 -1.468 -7.912 1.00 0.00 H new ATOM 0 HA ARG A 33 -5.178 -0.167 -5.718 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -4.330 -2.720 -6.316 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -3.080 -2.207 -5.200 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -4.452 -2.703 -3.500 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -5.502 -1.392 -4.000 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -7.064 -2.806 -4.837 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -5.868 -3.782 -5.666 1.00 0.00 H new ATOM 0 HE ARG A 33 -7.122 -4.383 -3.145 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -4.037 -4.614 -4.858 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -3.505 -6.028 -3.942 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -6.426 -6.197 -1.978 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -4.851 -6.919 -2.321 1.00 0.00 H new ATOM 533 N ILE A 34 -1.898 0.094 -5.996 1.00 0.00 N ATOM 534 CA ILE A 34 -0.740 0.850 -5.532 1.00 0.00 C ATOM 535 C ILE A 34 -0.838 2.318 -5.938 1.00 0.00 C ATOM 536 O ILE A 34 -0.603 3.213 -5.126 1.00 0.00 O ATOM 537 CB ILE A 34 0.574 0.262 -6.084 1.00 0.00 C ATOM 538 CG1 ILE A 34 0.637 -1.243 -5.819 1.00 0.00 C ATOM 539 CG2 ILE A 34 1.773 0.965 -5.464 1.00 0.00 C ATOM 540 CD1 ILE A 34 1.496 -1.996 -6.812 1.00 0.00 C ATOM 0 H ILE A 34 -1.698 -0.562 -6.751 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.733 0.778 -4.444 1.00 0.00 H new ATOM 0 HB ILE A 34 0.601 0.424 -7.162 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.025 -1.411 -4.814 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.374 -1.651 -5.843 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.692 0.538 -5.864 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.734 2.028 -5.701 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.753 0.833 -4.382 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.495 -3.057 -6.563 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.096 -1.859 -7.817 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.517 -1.615 -6.772 1.00 0.00 H new ATOM 552 N MET A 35 -1.181 2.559 -7.199 1.00 0.00 N ATOM 553 CA MET A 35 -1.305 3.919 -7.713 1.00 0.00 C ATOM 554 C MET A 35 -2.334 4.717 -6.917 1.00 0.00 C ATOM 555 O MET A 35 -2.226 5.936 -6.793 1.00 0.00 O ATOM 556 CB MET A 35 -1.697 3.896 -9.191 1.00 0.00 C ATOM 557 CG MET A 35 -0.606 3.367 -10.112 1.00 0.00 C ATOM 558 SD MET A 35 0.988 4.163 -9.845 1.00 0.00 S ATOM 559 CE MET A 35 1.062 5.216 -11.286 1.00 0.00 C ATOM 0 H MET A 35 -1.378 1.830 -7.885 1.00 0.00 H new ATOM 0 HA MET A 35 -0.335 4.405 -7.607 1.00 0.00 H new ATOM 0 HB2 MET A 35 -2.589 3.281 -9.310 1.00 0.00 H new ATOM 0 HB3 MET A 35 -1.963 4.906 -9.502 1.00 0.00 H new ATOM 0 HG2 MET A 35 -0.499 2.293 -9.960 1.00 0.00 H new ATOM 0 HG3 MET A 35 -0.910 3.514 -11.148 1.00 0.00 H new ATOM 0 HE1 MET A 35 1.930 5.871 -11.213 1.00 0.00 H new ATOM 0 HE2 MET A 35 1.146 4.601 -12.182 1.00 0.00 H new ATOM 0 HE3 MET A 35 0.156 5.819 -11.343 1.00 0.00 H new ATOM 569 N LYS A 36 -3.331 4.024 -6.380 1.00 0.00 N ATOM 570 CA LYS A 36 -4.378 4.674 -5.600 1.00 0.00 C ATOM 571 C LYS A 36 -3.811 5.295 -4.326 1.00 0.00 C ATOM 572 O LYS A 36 -4.409 6.205 -3.751 1.00 0.00 O ATOM 573 CB LYS A 36 -5.477 3.671 -5.246 1.00 0.00 C ATOM 574 CG LYS A 36 -6.879 4.257 -5.319 1.00 0.00 C ATOM 575 CD LYS A 36 -7.877 3.251 -5.874 1.00 0.00 C ATOM 576 CE LYS A 36 -8.955 2.914 -4.856 1.00 0.00 C ATOM 577 NZ LYS A 36 -9.723 4.121 -4.440 1.00 0.00 N ATOM 0 H LYS A 36 -3.437 3.013 -6.470 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.803 5.471 -6.210 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.412 2.819 -5.923 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.302 3.292 -4.239 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.194 4.573 -4.325 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.870 5.147 -5.948 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.339 3.655 -6.775 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.353 2.341 -6.165 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.638 2.178 -5.280 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.496 2.456 -3.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.689 3.843 -4.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.254 4.567 -3.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.763 4.796 -5.230 1.00 0.00 H new ATOM 591 N SER A 37 -2.657 4.800 -3.886 1.00 0.00 N ATOM 592 CA SER A 37 -2.019 5.310 -2.678 1.00 0.00 C ATOM 593 C SER A 37 -0.795 6.156 -3.015 1.00 0.00 C ATOM 594 O SER A 37 -0.750 7.348 -2.715 1.00 0.00 O ATOM 595 CB SER A 37 -1.617 4.153 -1.763 1.00 0.00 C ATOM 596 OG SER A 37 -2.649 3.848 -0.841 1.00 0.00 O ATOM 0 H SER A 37 -2.146 4.048 -4.348 1.00 0.00 H new ATOM 0 HA SER A 37 -2.739 5.944 -2.161 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.390 3.272 -2.364 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.707 4.413 -1.222 1.00 0.00 H new ATOM 0 HG SER A 37 -2.367 3.104 -0.269 1.00 0.00 H new ATOM 602 N ARG A 38 0.201 5.528 -3.633 1.00 0.00 N ATOM 603 CA ARG A 38 1.430 6.221 -4.004 1.00 0.00 C ATOM 604 C ARG A 38 1.158 7.327 -5.020 1.00 0.00 C ATOM 605 O ARG A 38 1.892 8.313 -5.087 1.00 0.00 O ATOM 606 CB ARG A 38 2.448 5.228 -4.570 1.00 0.00 C ATOM 607 CG ARG A 38 3.527 4.832 -3.577 1.00 0.00 C ATOM 608 CD ARG A 38 4.568 3.927 -4.215 1.00 0.00 C ATOM 609 NE ARG A 38 5.265 3.109 -3.225 1.00 0.00 N ATOM 610 CZ ARG A 38 4.733 2.034 -2.647 1.00 0.00 C ATOM 611 NH1 ARG A 38 3.503 1.644 -2.959 1.00 0.00 N ATOM 612 NH2 ARG A 38 5.434 1.347 -1.756 1.00 0.00 N ATOM 0 H ARG A 38 0.181 4.540 -3.887 1.00 0.00 H new ATOM 0 HA ARG A 38 1.839 6.681 -3.104 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.924 4.332 -4.901 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.919 5.665 -5.451 1.00 0.00 H new ATOM 0 HG2 ARG A 38 4.012 5.728 -3.189 1.00 0.00 H new ATOM 0 HG3 ARG A 38 3.072 4.322 -2.728 1.00 0.00 H new ATOM 0 HD2 ARG A 38 4.085 3.278 -4.946 1.00 0.00 H new ATOM 0 HD3 ARG A 38 5.292 4.534 -4.758 1.00 0.00 H new ATOM 0 HE ARG A 38 6.213 3.377 -2.962 1.00 0.00 H new ATOM 0 HH11 ARG A 38 2.960 2.169 -3.645 1.00 0.00 H new ATOM 0 HH12 ARG A 38 3.101 0.820 -2.513 1.00 0.00 H new ATOM 0 HH21 ARG A 38 6.380 1.642 -1.514 1.00 0.00 H new ATOM 0 HH22 ARG A 38 5.027 0.523 -1.313 1.00 0.00 H new ATOM 626 N LYS A 39 0.103 7.159 -5.812 1.00 0.00 N ATOM 627 CA LYS A 39 -0.260 8.145 -6.826 1.00 0.00 C ATOM 628 C LYS A 39 0.805 8.217 -7.918 1.00 0.00 C ATOM 629 O LYS A 39 0.619 7.688 -9.013 1.00 0.00 O ATOM 630 CB LYS A 39 -0.452 9.524 -6.188 1.00 0.00 C ATOM 631 CG LYS A 39 -1.911 9.923 -6.031 1.00 0.00 C ATOM 632 CD LYS A 39 -2.679 8.913 -5.194 1.00 0.00 C ATOM 633 CE LYS A 39 -3.953 9.515 -4.627 1.00 0.00 C ATOM 634 NZ LYS A 39 -3.759 10.024 -3.241 1.00 0.00 N ATOM 0 H LYS A 39 -0.516 6.349 -5.771 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.201 7.833 -7.280 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.026 9.532 -5.208 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.057 10.271 -6.797 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -1.972 10.906 -5.563 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.373 10.009 -7.014 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -2.926 8.045 -5.805 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -2.048 8.560 -4.379 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.286 10.330 -5.269 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -4.742 8.763 -4.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.652 10.427 -2.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -3.466 9.242 -2.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -3.024 10.760 -3.241 1.00 0.00 H new ATOM 648 N LYS A 40 1.919 8.872 -7.610 1.00 0.00 N ATOM 649 CA LYS A 40 3.012 9.010 -8.565 1.00 0.00 C ATOM 650 C LYS A 40 4.023 7.880 -8.398 1.00 0.00 C ATOM 651 O LYS A 40 4.434 7.561 -7.282 1.00 0.00 O ATOM 652 CB LYS A 40 3.706 10.362 -8.386 1.00 0.00 C ATOM 653 CG LYS A 40 4.717 10.676 -9.477 1.00 0.00 C ATOM 654 CD LYS A 40 5.306 12.067 -9.305 1.00 0.00 C ATOM 655 CE LYS A 40 6.540 12.260 -10.172 1.00 0.00 C ATOM 656 NZ LYS A 40 7.759 11.683 -9.541 1.00 0.00 N ATOM 0 H LYS A 40 2.089 9.315 -6.707 1.00 0.00 H new ATOM 0 HA LYS A 40 2.594 8.955 -9.570 1.00 0.00 H new ATOM 0 HB2 LYS A 40 2.951 11.148 -8.364 1.00 0.00 H new ATOM 0 HB3 LYS A 40 4.210 10.377 -7.420 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.517 9.936 -9.458 1.00 0.00 H new ATOM 0 HG3 LYS A 40 4.237 10.601 -10.453 1.00 0.00 H new ATOM 0 HD2 LYS A 40 4.557 12.815 -9.564 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.567 12.226 -8.259 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.378 11.792 -11.143 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.694 13.324 -10.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.578 11.836 -10.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.929 12.147 -8.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.623 10.663 -9.392 1.00 0.00 H new ATOM 670 N MET A 41 4.420 7.279 -9.515 1.00 0.00 N ATOM 671 CA MET A 41 5.383 6.183 -9.492 1.00 0.00 C ATOM 672 C MET A 41 6.166 6.120 -10.799 1.00 0.00 C ATOM 673 O MET A 41 5.707 6.603 -11.834 1.00 0.00 O ATOM 674 CB MET A 41 4.667 4.853 -9.246 1.00 0.00 C ATOM 675 CG MET A 41 5.413 3.926 -8.300 1.00 0.00 C ATOM 676 SD MET A 41 4.332 2.707 -7.529 1.00 0.00 S ATOM 677 CE MET A 41 5.533 1.658 -6.712 1.00 0.00 C ATOM 0 H MET A 41 4.090 7.532 -10.447 1.00 0.00 H new ATOM 0 HA MET A 41 6.085 6.365 -8.678 1.00 0.00 H new ATOM 0 HB2 MET A 41 3.676 5.053 -8.839 1.00 0.00 H new ATOM 0 HB3 MET A 41 4.523 4.346 -10.200 1.00 0.00 H new ATOM 0 HG2 MET A 41 6.202 3.411 -8.848 1.00 0.00 H new ATOM 0 HG3 MET A 41 5.898 4.518 -7.524 1.00 0.00 H new ATOM 0 HE1 MET A 41 5.019 0.833 -6.218 1.00 0.00 H new ATOM 0 HE2 MET A 41 6.231 1.262 -7.449 1.00 0.00 H new ATOM 0 HE3 MET A 41 6.080 2.240 -5.971 1.00 0.00 H new ATOM 687 N GLN A 42 7.352 5.521 -10.746 1.00 0.00 N ATOM 688 CA GLN A 42 8.199 5.394 -11.927 1.00 0.00 C ATOM 689 C GLN A 42 8.000 4.037 -12.596 1.00 0.00 C ATOM 690 O GLN A 42 7.170 3.237 -12.164 1.00 0.00 O ATOM 691 CB GLN A 42 9.669 5.581 -11.548 1.00 0.00 C ATOM 692 CG GLN A 42 10.422 6.517 -12.479 1.00 0.00 C ATOM 693 CD GLN A 42 11.816 6.841 -11.978 1.00 0.00 C ATOM 694 OE1 GLN A 42 12.220 6.401 -10.902 1.00 0.00 O ATOM 695 NE2 GLN A 42 12.560 7.617 -12.759 1.00 0.00 N ATOM 0 H GLN A 42 7.748 5.116 -9.898 1.00 0.00 H new ATOM 0 HA GLN A 42 7.913 6.172 -12.635 1.00 0.00 H new ATOM 0 HB2 GLN A 42 9.727 5.969 -10.531 1.00 0.00 H new ATOM 0 HB3 GLN A 42 10.162 4.609 -11.547 1.00 0.00 H new ATOM 0 HG2 GLN A 42 10.492 6.062 -13.467 1.00 0.00 H new ATOM 0 HG3 GLN A 42 9.857 7.442 -12.593 1.00 0.00 H new ATOM 0 HE21 GLN A 42 12.185 7.960 -13.643 1.00 0.00 H new ATOM 0 HE22 GLN A 42 13.506 7.870 -12.474 1.00 0.00 H new ATOM 704 N HIS A 43 8.765 3.787 -13.653 1.00 0.00 N ATOM 705 CA HIS A 43 8.673 2.528 -14.384 1.00 0.00 C ATOM 706 C HIS A 43 9.213 1.372 -13.548 1.00 0.00 C ATOM 707 O HIS A 43 8.534 0.365 -13.352 1.00 0.00 O ATOM 708 CB HIS A 43 9.442 2.622 -15.702 1.00 0.00 C ATOM 709 CG HIS A 43 9.032 1.592 -16.709 1.00 0.00 C ATOM 710 ND1 HIS A 43 8.258 0.495 -16.392 1.00 0.00 N ATOM 711 CD2 HIS A 43 9.293 1.495 -18.035 1.00 0.00 C ATOM 712 CE1 HIS A 43 8.063 -0.231 -17.478 1.00 0.00 C ATOM 713 NE2 HIS A 43 8.679 0.353 -18.488 1.00 0.00 N ATOM 0 H HIS A 43 9.456 4.440 -14.023 1.00 0.00 H new ATOM 0 HA HIS A 43 7.621 2.337 -14.598 1.00 0.00 H new ATOM 0 HB2 HIS A 43 9.295 3.614 -16.129 1.00 0.00 H new ATOM 0 HB3 HIS A 43 10.508 2.516 -15.500 1.00 0.00 H new ATOM 0 HD2 HIS A 43 9.875 2.187 -18.626 1.00 0.00 H new ATOM 0 HE1 HIS A 43 7.495 -1.148 -17.530 1.00 0.00 H new ATOM 0 HE2 HIS A 43 8.696 0.012 -19.449 1.00 0.00 H new ATOM 722 N ASN A 44 10.440 1.522 -13.060 1.00 0.00 N ATOM 723 CA ASN A 44 11.073 0.490 -12.247 1.00 0.00 C ATOM 724 C ASN A 44 10.392 0.373 -10.887 1.00 0.00 C ATOM 725 O ASN A 44 10.144 -0.729 -10.398 1.00 0.00 O ATOM 726 CB ASN A 44 12.559 0.797 -12.061 1.00 0.00 C ATOM 727 CG ASN A 44 13.276 1.001 -13.382 1.00 0.00 C ATOM 728 OD1 ASN A 44 12.790 0.591 -14.435 1.00 0.00 O ATOM 729 ND2 ASN A 44 14.440 1.640 -13.331 1.00 0.00 N ATOM 0 H ASN A 44 11.016 2.349 -13.214 1.00 0.00 H new ATOM 0 HA ASN A 44 10.968 -0.462 -12.768 1.00 0.00 H new ATOM 0 HB2 ASN A 44 12.669 1.692 -11.449 1.00 0.00 H new ATOM 0 HB3 ASN A 44 13.031 -0.021 -11.517 1.00 0.00 H new ATOM 0 HD21 ASN A 44 14.968 1.808 -14.188 1.00 0.00 H new ATOM 0 HD22 ASN A 44 14.806 1.963 -12.435 1.00 0.00 H new ATOM 736 N VAL A 45 10.091 1.517 -10.279 1.00 0.00 N ATOM 737 CA VAL A 45 9.439 1.541 -8.974 1.00 0.00 C ATOM 738 C VAL A 45 8.118 0.781 -9.007 1.00 0.00 C ATOM 739 O VAL A 45 7.880 -0.105 -8.184 1.00 0.00 O ATOM 740 CB VAL A 45 9.177 2.984 -8.502 1.00 0.00 C ATOM 741 CG1 VAL A 45 8.651 2.994 -7.074 1.00 0.00 C ATOM 742 CG2 VAL A 45 10.442 3.822 -8.616 1.00 0.00 C ATOM 0 H VAL A 45 10.288 2.439 -10.669 1.00 0.00 H new ATOM 0 HA VAL A 45 10.118 1.056 -8.272 1.00 0.00 H new ATOM 0 HB VAL A 45 8.417 3.424 -9.148 1.00 0.00 H new ATOM 0 HG11 VAL A 45 8.472 4.022 -6.759 1.00 0.00 H new ATOM 0 HG12 VAL A 45 7.718 2.432 -7.026 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.385 2.535 -6.412 1.00 0.00 H new ATOM 0 HG21 VAL A 45 10.237 4.838 -8.278 1.00 0.00 H new ATOM 0 HG22 VAL A 45 11.225 3.385 -7.997 1.00 0.00 H new ATOM 0 HG23 VAL A 45 10.771 3.845 -9.655 1.00 0.00 H new ATOM 752 N LEU A 46 7.262 1.129 -9.962 1.00 0.00 N ATOM 753 CA LEU A 46 5.967 0.477 -10.101 1.00 0.00 C ATOM 754 C LEU A 46 6.136 -1.016 -10.359 1.00 0.00 C ATOM 755 O LEU A 46 5.559 -1.848 -9.658 1.00 0.00 O ATOM 756 CB LEU A 46 5.169 1.116 -11.240 1.00 0.00 C ATOM 757 CG LEU A 46 3.768 0.544 -11.451 1.00 0.00 C ATOM 758 CD1 LEU A 46 2.892 0.818 -10.238 1.00 0.00 C ATOM 759 CD2 LEU A 46 3.138 1.126 -12.708 1.00 0.00 C ATOM 0 H LEU A 46 7.443 1.859 -10.651 1.00 0.00 H new ATOM 0 HA LEU A 46 5.421 0.607 -9.167 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.083 2.185 -11.047 1.00 0.00 H new ATOM 0 HB3 LEU A 46 5.733 1.004 -12.166 1.00 0.00 H new ATOM 0 HG LEU A 46 3.852 -0.535 -11.577 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.898 0.404 -10.406 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.335 0.353 -9.357 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.815 1.894 -10.081 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.141 0.707 -12.842 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.067 2.209 -12.611 1.00 0.00 H new ATOM 0 HD23 LEU A 46 3.755 0.879 -13.572 1.00 0.00 H new ATOM 771 N VAL A 47 6.934 -1.350 -11.368 1.00 0.00 N ATOM 772 CA VAL A 47 7.184 -2.742 -11.719 1.00 0.00 C ATOM 773 C VAL A 47 7.851 -3.488 -10.567 1.00 0.00 C ATOM 774 O VAL A 47 7.665 -4.695 -10.406 1.00 0.00 O ATOM 775 CB VAL A 47 8.073 -2.852 -12.976 1.00 0.00 C ATOM 776 CG1 VAL A 47 8.302 -4.308 -13.351 1.00 0.00 C ATOM 777 CG2 VAL A 47 7.453 -2.087 -14.136 1.00 0.00 C ATOM 0 H VAL A 47 7.419 -0.674 -11.958 1.00 0.00 H new ATOM 0 HA VAL A 47 6.216 -3.197 -11.928 1.00 0.00 H new ATOM 0 HB VAL A 47 9.042 -2.406 -12.750 1.00 0.00 H new ATOM 0 HG11 VAL A 47 8.931 -4.360 -14.240 1.00 0.00 H new ATOM 0 HG12 VAL A 47 8.795 -4.823 -12.526 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.344 -4.786 -13.556 1.00 0.00 H new ATOM 0 HG21 VAL A 47 8.093 -2.175 -15.014 1.00 0.00 H new ATOM 0 HG22 VAL A 47 6.470 -2.501 -14.361 1.00 0.00 H new ATOM 0 HG23 VAL A 47 7.351 -1.036 -13.866 1.00 0.00 H new ATOM 787 N ALA A 48 8.630 -2.764 -9.769 1.00 0.00 N ATOM 788 CA ALA A 48 9.325 -3.359 -8.635 1.00 0.00 C ATOM 789 C ALA A 48 8.348 -3.745 -7.529 1.00 0.00 C ATOM 790 O ALA A 48 8.552 -4.733 -6.824 1.00 0.00 O ATOM 791 CB ALA A 48 10.378 -2.401 -8.100 1.00 0.00 C ATOM 0 H ALA A 48 8.795 -1.764 -9.888 1.00 0.00 H new ATOM 0 HA ALA A 48 9.817 -4.268 -8.981 1.00 0.00 H new ATOM 0 HB1 ALA A 48 10.889 -2.858 -7.253 1.00 0.00 H new ATOM 0 HB2 ALA A 48 11.102 -2.180 -8.885 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.899 -1.476 -7.778 1.00 0.00 H new ATOM 797 N GLU A 49 7.287 -2.959 -7.381 1.00 0.00 N ATOM 798 CA GLU A 49 6.280 -3.219 -6.358 1.00 0.00 C ATOM 799 C GLU A 49 5.270 -4.257 -6.836 1.00 0.00 C ATOM 800 O GLU A 49 4.996 -5.235 -6.142 1.00 0.00 O ATOM 801 CB GLU A 49 5.559 -1.922 -5.983 1.00 0.00 C ATOM 802 CG GLU A 49 6.157 -1.224 -4.773 1.00 0.00 C ATOM 803 CD GLU A 49 5.833 -1.932 -3.472 1.00 0.00 C ATOM 804 OE1 GLU A 49 6.462 -2.973 -3.191 1.00 0.00 O ATOM 805 OE2 GLU A 49 4.950 -1.446 -2.735 1.00 0.00 O ATOM 0 H GLU A 49 7.102 -2.137 -7.956 1.00 0.00 H new ATOM 0 HA GLU A 49 6.787 -3.614 -5.477 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.585 -1.242 -6.834 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.510 -2.143 -5.784 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.239 -1.165 -4.890 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.785 -0.201 -4.728 1.00 0.00 H new ATOM 812 N VAL A 50 4.719 -4.035 -8.024 1.00 0.00 N ATOM 813 CA VAL A 50 3.736 -4.950 -8.593 1.00 0.00 C ATOM 814 C VAL A 50 4.328 -6.343 -8.788 1.00 0.00 C ATOM 815 O VAL A 50 3.730 -7.343 -8.390 1.00 0.00 O ATOM 816 CB VAL A 50 3.203 -4.434 -9.945 1.00 0.00 C ATOM 817 CG1 VAL A 50 2.132 -5.366 -10.496 1.00 0.00 C ATOM 818 CG2 VAL A 50 2.663 -3.018 -9.800 1.00 0.00 C ATOM 0 H VAL A 50 4.936 -3.230 -8.612 1.00 0.00 H new ATOM 0 HA VAL A 50 2.910 -5.007 -7.884 1.00 0.00 H new ATOM 0 HB VAL A 50 4.031 -4.415 -10.654 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.771 -4.982 -11.450 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.555 -6.360 -10.642 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.303 -5.424 -9.791 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.291 -2.670 -10.764 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.850 -3.011 -9.074 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.460 -2.358 -9.459 1.00 0.00 H new ATOM 828 N THR A 51 5.505 -6.400 -9.401 1.00 0.00 N ATOM 829 CA THR A 51 6.176 -7.672 -9.649 1.00 0.00 C ATOM 830 C THR A 51 6.482 -8.392 -8.340 1.00 0.00 C ATOM 831 O THR A 51 6.238 -9.592 -8.208 1.00 0.00 O ATOM 832 CB THR A 51 7.468 -7.447 -10.437 1.00 0.00 C ATOM 833 OG1 THR A 51 7.202 -6.788 -11.661 1.00 0.00 O ATOM 834 CG2 THR A 51 8.206 -8.730 -10.758 1.00 0.00 C ATOM 0 H THR A 51 6.014 -5.582 -9.735 1.00 0.00 H new ATOM 0 HA THR A 51 5.505 -8.298 -10.237 1.00 0.00 H new ATOM 0 HB THR A 51 8.097 -6.837 -9.789 1.00 0.00 H new ATOM 0 HG1 THR A 51 6.998 -5.845 -11.487 1.00 0.00 H new ATOM 0 HG21 THR A 51 9.112 -8.498 -11.318 1.00 0.00 H new ATOM 0 HG22 THR A 51 8.472 -9.238 -9.831 1.00 0.00 H new ATOM 0 HG23 THR A 51 7.566 -9.378 -11.357 1.00 0.00 H new ATOM 842 N GLN A 52 7.018 -7.654 -7.373 1.00 0.00 N ATOM 843 CA GLN A 52 7.357 -8.223 -6.075 1.00 0.00 C ATOM 844 C GLN A 52 6.100 -8.565 -5.281 1.00 0.00 C ATOM 845 O GLN A 52 6.093 -9.502 -4.484 1.00 0.00 O ATOM 846 CB GLN A 52 8.227 -7.250 -5.279 1.00 0.00 C ATOM 847 CG GLN A 52 9.017 -7.913 -4.161 1.00 0.00 C ATOM 848 CD GLN A 52 9.274 -6.979 -2.996 1.00 0.00 C ATOM 849 OE1 GLN A 52 10.259 -6.240 -2.983 1.00 0.00 O ATOM 850 NE2 GLN A 52 8.388 -7.006 -2.008 1.00 0.00 N ATOM 0 H GLN A 52 7.227 -6.660 -7.465 1.00 0.00 H new ATOM 0 HA GLN A 52 7.916 -9.143 -6.247 1.00 0.00 H new ATOM 0 HB2 GLN A 52 8.921 -6.756 -5.959 1.00 0.00 H new ATOM 0 HB3 GLN A 52 7.592 -6.473 -4.853 1.00 0.00 H new ATOM 0 HG2 GLN A 52 8.473 -8.789 -3.807 1.00 0.00 H new ATOM 0 HG3 GLN A 52 9.970 -8.267 -4.555 1.00 0.00 H new ATOM 0 HE21 GLN A 52 7.586 -7.634 -2.059 1.00 0.00 H new ATOM 0 HE22 GLN A 52 8.509 -6.399 -1.197 1.00 0.00 H new ATOM 859 N GLN A 53 5.038 -7.798 -5.505 1.00 0.00 N ATOM 860 CA GLN A 53 3.775 -8.019 -4.810 1.00 0.00 C ATOM 861 C GLN A 53 3.103 -9.302 -5.292 1.00 0.00 C ATOM 862 O GLN A 53 2.374 -9.951 -4.542 1.00 0.00 O ATOM 863 CB GLN A 53 2.837 -6.829 -5.019 1.00 0.00 C ATOM 864 CG GLN A 53 2.943 -5.773 -3.931 1.00 0.00 C ATOM 865 CD GLN A 53 2.329 -4.448 -4.342 1.00 0.00 C ATOM 866 OE1 GLN A 53 1.257 -4.409 -4.945 1.00 0.00 O ATOM 867 NE2 GLN A 53 3.008 -3.356 -4.016 1.00 0.00 N ATOM 0 H GLN A 53 5.027 -7.018 -6.162 1.00 0.00 H new ATOM 0 HA GLN A 53 3.990 -8.121 -3.746 1.00 0.00 H new ATOM 0 HB2 GLN A 53 3.056 -6.369 -5.983 1.00 0.00 H new ATOM 0 HB3 GLN A 53 1.810 -7.190 -5.064 1.00 0.00 H new ATOM 0 HG2 GLN A 53 2.448 -6.134 -3.030 1.00 0.00 H new ATOM 0 HG3 GLN A 53 3.992 -5.620 -3.679 1.00 0.00 H new ATOM 0 HE21 GLN A 53 3.893 -3.436 -3.516 1.00 0.00 H new ATOM 0 HE22 GLN A 53 2.645 -2.436 -4.266 1.00 0.00 H new ATOM 876 N LEU A 54 3.351 -9.660 -6.548 1.00 0.00 N ATOM 877 CA LEU A 54 2.767 -10.864 -7.128 1.00 0.00 C ATOM 878 C LEU A 54 3.851 -11.867 -7.512 1.00 0.00 C ATOM 879 O LEU A 54 3.702 -12.617 -8.477 1.00 0.00 O ATOM 880 CB LEU A 54 1.929 -10.507 -8.357 1.00 0.00 C ATOM 881 CG LEU A 54 0.905 -9.392 -8.140 1.00 0.00 C ATOM 882 CD1 LEU A 54 0.675 -8.622 -9.431 1.00 0.00 C ATOM 883 CD2 LEU A 54 -0.404 -9.966 -7.619 1.00 0.00 C ATOM 0 H LEU A 54 3.952 -9.134 -7.183 1.00 0.00 H new ATOM 0 HA LEU A 54 2.124 -11.323 -6.377 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.601 -10.211 -9.163 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.404 -11.401 -8.692 1.00 0.00 H new ATOM 0 HG LEU A 54 1.299 -8.702 -7.394 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.056 -7.832 -9.258 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.614 -8.180 -9.763 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.302 -9.301 -10.198 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.121 -9.159 -7.470 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.803 -10.677 -8.342 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.227 -10.474 -6.671 1.00 0.00 H new ATOM 895 N LYS A 55 4.939 -11.875 -6.752 1.00 0.00 N ATOM 896 CA LYS A 55 6.048 -12.787 -7.015 1.00 0.00 C ATOM 897 C LYS A 55 5.999 -13.988 -6.075 1.00 0.00 C ATOM 898 O LYS A 55 6.432 -15.085 -6.431 1.00 0.00 O ATOM 899 CB LYS A 55 7.384 -12.055 -6.864 1.00 0.00 C ATOM 900 CG LYS A 55 8.287 -12.187 -8.080 1.00 0.00 C ATOM 901 CD LYS A 55 9.310 -11.063 -8.142 1.00 0.00 C ATOM 902 CE LYS A 55 10.684 -11.535 -7.696 1.00 0.00 C ATOM 903 NZ LYS A 55 11.681 -10.428 -7.702 1.00 0.00 N ATOM 0 H LYS A 55 5.078 -11.261 -5.949 1.00 0.00 H new ATOM 0 HA LYS A 55 5.955 -13.149 -8.039 1.00 0.00 H new ATOM 0 HB2 LYS A 55 7.192 -10.999 -6.677 1.00 0.00 H new ATOM 0 HB3 LYS A 55 7.906 -12.444 -5.990 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.802 -13.147 -8.049 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.681 -12.179 -8.986 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.369 -10.679 -9.160 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.984 -10.238 -7.509 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.615 -11.956 -6.693 1.00 0.00 H new ATOM 0 HE3 LYS A 55 11.025 -12.334 -8.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 12.605 -10.791 -7.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 11.766 -10.043 -8.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 11.369 -9.676 -7.054 1.00 0.00 H new ATOM 917 N ALA A 56 5.468 -13.775 -4.876 1.00 0.00 N ATOM 918 CA ALA A 56 5.364 -14.842 -3.887 1.00 0.00 C ATOM 919 C ALA A 56 4.414 -15.938 -4.359 1.00 0.00 C ATOM 920 O ALA A 56 4.575 -17.106 -4.007 1.00 0.00 O ATOM 921 CB ALA A 56 4.903 -14.279 -2.551 1.00 0.00 C ATOM 0 H ALA A 56 5.103 -12.874 -4.566 1.00 0.00 H new ATOM 0 HA ALA A 56 6.352 -15.285 -3.761 1.00 0.00 H new ATOM 0 HB1 ALA A 56 4.830 -15.086 -1.822 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.622 -13.538 -2.201 1.00 0.00 H new ATOM 0 HB3 ALA A 56 3.927 -13.809 -2.672 1.00 0.00 H new ATOM 927 N ARG A 57 3.422 -15.553 -5.156 1.00 0.00 N ATOM 928 CA ARG A 57 2.446 -16.504 -5.674 1.00 0.00 C ATOM 929 C ARG A 57 2.927 -17.121 -6.985 1.00 0.00 C ATOM 930 O ARG A 57 3.152 -18.328 -7.068 1.00 0.00 O ATOM 931 CB ARG A 57 1.094 -15.817 -5.883 1.00 0.00 C ATOM 932 CG ARG A 57 -0.082 -16.612 -5.339 1.00 0.00 C ATOM 933 CD ARG A 57 -1.311 -16.462 -6.221 1.00 0.00 C ATOM 934 NE ARG A 57 -2.550 -16.528 -5.449 1.00 0.00 N ATOM 935 CZ ARG A 57 -2.995 -17.633 -4.855 1.00 0.00 C ATOM 936 NH1 ARG A 57 -2.307 -18.765 -4.940 1.00 0.00 N ATOM 937 NH2 ARG A 57 -4.132 -17.606 -4.173 1.00 0.00 N ATOM 0 H ARG A 57 3.273 -14.590 -5.457 1.00 0.00 H new ATOM 0 HA ARG A 57 2.330 -17.302 -4.941 1.00 0.00 H new ATOM 0 HB2 ARG A 57 1.114 -14.839 -5.402 1.00 0.00 H new ATOM 0 HB3 ARG A 57 0.944 -15.645 -6.949 1.00 0.00 H new ATOM 0 HG2 ARG A 57 0.191 -17.665 -5.269 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -0.314 -16.275 -4.329 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -1.264 -15.510 -6.750 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -1.313 -17.247 -6.977 1.00 0.00 H new ATOM 0 HE ARG A 57 -3.106 -15.678 -5.360 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -1.432 -18.792 -5.463 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -2.654 -19.608 -4.482 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -4.665 -16.739 -4.104 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -4.474 -18.452 -3.718 1.00 0.00 H new ATOM 951 N PHE A 58 3.083 -16.284 -8.005 1.00 0.00 N ATOM 952 CA PHE A 58 3.538 -16.749 -9.312 1.00 0.00 C ATOM 953 C PHE A 58 4.475 -15.733 -9.958 1.00 0.00 C ATOM 954 O PHE A 58 4.781 -14.696 -9.370 1.00 0.00 O ATOM 955 CB PHE A 58 2.341 -17.013 -10.228 1.00 0.00 C ATOM 956 CG PHE A 58 1.303 -15.928 -10.188 1.00 0.00 C ATOM 957 CD1 PHE A 58 1.457 -14.775 -10.943 1.00 0.00 C ATOM 958 CD2 PHE A 58 0.174 -16.060 -9.397 1.00 0.00 C ATOM 959 CE1 PHE A 58 0.504 -13.776 -10.909 1.00 0.00 C ATOM 960 CE2 PHE A 58 -0.784 -15.064 -9.359 1.00 0.00 C ATOM 961 CZ PHE A 58 -0.618 -13.921 -10.115 1.00 0.00 C ATOM 0 H PHE A 58 2.902 -15.282 -7.953 1.00 0.00 H new ATOM 0 HA PHE A 58 4.088 -17.679 -9.167 1.00 0.00 H new ATOM 0 HB2 PHE A 58 2.696 -17.127 -11.252 1.00 0.00 H new ATOM 0 HB3 PHE A 58 1.878 -17.958 -9.944 1.00 0.00 H new ATOM 0 HD1 PHE A 58 2.332 -14.657 -11.565 1.00 0.00 H new ATOM 0 HD2 PHE A 58 0.040 -16.952 -8.803 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.635 -12.883 -11.502 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -1.661 -15.180 -8.739 1.00 0.00 H new ATOM 0 HZ PHE A 58 -1.364 -13.141 -10.086 1.00 0.00 H new ATOM 971 N LEU A 59 4.925 -16.041 -11.170 1.00 0.00 N ATOM 972 CA LEU A 59 5.827 -15.155 -11.896 1.00 0.00 C ATOM 973 C LEU A 59 5.092 -14.433 -13.025 1.00 0.00 C ATOM 974 O LEU A 59 5.039 -14.920 -14.153 1.00 0.00 O ATOM 975 CB LEU A 59 7.005 -15.950 -12.467 1.00 0.00 C ATOM 976 CG LEU A 59 8.350 -15.222 -12.441 1.00 0.00 C ATOM 977 CD1 LEU A 59 9.480 -16.195 -12.145 1.00 0.00 C ATOM 978 CD2 LEU A 59 8.592 -14.507 -13.761 1.00 0.00 C ATOM 0 H LEU A 59 4.680 -16.896 -11.669 1.00 0.00 H new ATOM 0 HA LEU A 59 6.204 -14.409 -11.196 1.00 0.00 H new ATOM 0 HB2 LEU A 59 7.102 -16.880 -11.907 1.00 0.00 H new ATOM 0 HB3 LEU A 59 6.775 -16.221 -13.498 1.00 0.00 H new ATOM 0 HG LEU A 59 8.323 -14.478 -11.645 1.00 0.00 H new ATOM 0 HD11 LEU A 59 10.428 -15.658 -12.131 1.00 0.00 H new ATOM 0 HD12 LEU A 59 9.313 -16.662 -11.174 1.00 0.00 H new ATOM 0 HD13 LEU A 59 9.510 -16.964 -12.917 1.00 0.00 H new ATOM 0 HD21 LEU A 59 9.553 -13.994 -13.726 1.00 0.00 H new ATOM 0 HD22 LEU A 59 8.598 -15.234 -14.573 1.00 0.00 H new ATOM 0 HD23 LEU A 59 7.798 -13.780 -13.932 1.00 0.00 H new ATOM 990 N PRO A 60 4.511 -13.256 -12.731 1.00 0.00 N ATOM 991 CA PRO A 60 3.776 -12.468 -13.727 1.00 0.00 C ATOM 992 C PRO A 60 4.698 -11.839 -14.766 1.00 0.00 C ATOM 993 O PRO A 60 4.408 -11.863 -15.962 1.00 0.00 O ATOM 994 CB PRO A 60 3.099 -11.383 -12.889 1.00 0.00 C ATOM 995 CG PRO A 60 3.968 -11.234 -11.690 1.00 0.00 C ATOM 996 CD PRO A 60 4.525 -12.602 -11.408 1.00 0.00 C ATOM 0 HA PRO A 60 3.081 -13.082 -14.299 1.00 0.00 H new ATOM 0 HB2 PRO A 60 3.022 -10.446 -13.441 1.00 0.00 H new ATOM 0 HB3 PRO A 60 2.086 -11.673 -12.610 1.00 0.00 H new ATOM 0 HG2 PRO A 60 4.768 -10.518 -11.875 1.00 0.00 H new ATOM 0 HG3 PRO A 60 3.398 -10.862 -10.839 1.00 0.00 H new ATOM 0 HD2 PRO A 60 5.533 -12.549 -10.997 1.00 0.00 H new ATOM 0 HD3 PRO A 60 3.914 -13.143 -10.686 1.00 0.00 H new ATOM 1004 N SER A 61 5.810 -11.277 -14.301 1.00 0.00 N ATOM 1005 CA SER A 61 6.778 -10.637 -15.188 1.00 0.00 C ATOM 1006 C SER A 61 6.223 -9.331 -15.753 1.00 0.00 C ATOM 1007 O SER A 61 5.037 -9.236 -16.068 1.00 0.00 O ATOM 1008 CB SER A 61 7.162 -11.580 -16.332 1.00 0.00 C ATOM 1009 OG SER A 61 8.527 -11.426 -16.683 1.00 0.00 O ATOM 0 H SER A 61 6.064 -11.252 -13.313 1.00 0.00 H new ATOM 0 HA SER A 61 7.669 -10.409 -14.603 1.00 0.00 H new ATOM 0 HB2 SER A 61 6.973 -12.612 -16.036 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.535 -11.378 -17.200 1.00 0.00 H new ATOM 0 HG SER A 61 8.748 -12.040 -17.414 1.00 0.00 H new ATOM 1015 N PRO A 62 7.076 -8.297 -15.889 1.00 0.00 N ATOM 1016 CA PRO A 62 6.661 -6.993 -16.418 1.00 0.00 C ATOM 1017 C PRO A 62 6.033 -7.099 -17.804 1.00 0.00 C ATOM 1018 O PRO A 62 5.209 -6.269 -18.188 1.00 0.00 O ATOM 1019 CB PRO A 62 7.968 -6.200 -16.494 1.00 0.00 C ATOM 1020 CG PRO A 62 8.880 -6.865 -15.522 1.00 0.00 C ATOM 1021 CD PRO A 62 8.508 -8.319 -15.537 1.00 0.00 C ATOM 0 HA PRO A 62 5.899 -6.531 -15.790 1.00 0.00 H new ATOM 0 HB2 PRO A 62 8.383 -6.219 -17.502 1.00 0.00 H new ATOM 0 HB3 PRO A 62 7.810 -5.153 -16.234 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.923 -6.726 -15.807 1.00 0.00 H new ATOM 0 HG3 PRO A 62 8.763 -6.442 -14.524 1.00 0.00 H new ATOM 0 HD2 PRO A 62 9.094 -8.877 -16.268 1.00 0.00 H new ATOM 0 HD3 PRO A 62 8.677 -8.788 -14.568 1.00 0.00 H new ATOM 1029 N VAL A 63 6.436 -8.123 -18.551 1.00 0.00 N ATOM 1030 CA VAL A 63 5.925 -8.346 -19.903 1.00 0.00 C ATOM 1031 C VAL A 63 4.412 -8.145 -19.977 1.00 0.00 C ATOM 1032 O VAL A 63 3.885 -7.701 -20.997 1.00 0.00 O ATOM 1033 CB VAL A 63 6.265 -9.763 -20.404 1.00 0.00 C ATOM 1034 CG1 VAL A 63 5.890 -9.917 -21.870 1.00 0.00 C ATOM 1035 CG2 VAL A 63 7.740 -10.068 -20.189 1.00 0.00 C ATOM 0 H VAL A 63 7.118 -8.815 -18.242 1.00 0.00 H new ATOM 0 HA VAL A 63 6.412 -7.609 -20.542 1.00 0.00 H new ATOM 0 HB VAL A 63 5.682 -10.480 -19.827 1.00 0.00 H new ATOM 0 HG11 VAL A 63 6.138 -10.924 -22.205 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.820 -9.747 -21.992 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.443 -9.190 -22.465 1.00 0.00 H new ATOM 0 HG21 VAL A 63 7.960 -11.073 -20.549 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.345 -9.346 -20.737 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.974 -10.004 -19.126 1.00 0.00 H new ATOM 1045 N VAL A 64 3.720 -8.474 -18.891 1.00 0.00 N ATOM 1046 CA VAL A 64 2.270 -8.327 -18.839 1.00 0.00 C ATOM 1047 C VAL A 64 1.876 -7.019 -18.161 1.00 0.00 C ATOM 1048 O VAL A 64 0.882 -6.392 -18.529 1.00 0.00 O ATOM 1049 CB VAL A 64 1.609 -9.501 -18.091 1.00 0.00 C ATOM 1050 CG1 VAL A 64 1.531 -10.729 -18.987 1.00 0.00 C ATOM 1051 CG2 VAL A 64 2.362 -9.817 -16.808 1.00 0.00 C ATOM 0 H VAL A 64 4.139 -8.843 -18.037 1.00 0.00 H new ATOM 0 HA VAL A 64 1.916 -8.321 -19.870 1.00 0.00 H new ATOM 0 HB VAL A 64 0.594 -9.207 -17.823 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.061 -11.548 -18.442 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.940 -10.496 -19.873 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.536 -11.023 -19.289 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.877 -10.649 -16.297 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.390 -10.088 -17.047 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.359 -8.941 -16.159 1.00 0.00 H new ATOM 1061 N ILE A 65 2.662 -6.611 -17.171 1.00 0.00 N ATOM 1062 CA ILE A 65 2.399 -5.376 -16.443 1.00 0.00 C ATOM 1063 C ILE A 65 2.445 -4.171 -17.381 1.00 0.00 C ATOM 1064 O ILE A 65 1.612 -3.271 -17.290 1.00 0.00 O ATOM 1065 CB ILE A 65 3.417 -5.178 -15.296 1.00 0.00 C ATOM 1066 CG1 ILE A 65 3.213 -6.249 -14.222 1.00 0.00 C ATOM 1067 CG2 ILE A 65 3.290 -3.787 -14.688 1.00 0.00 C ATOM 1068 CD1 ILE A 65 4.484 -6.618 -13.489 1.00 0.00 C ATOM 0 H ILE A 65 3.488 -7.119 -16.854 1.00 0.00 H new ATOM 0 HA ILE A 65 1.400 -5.456 -16.015 1.00 0.00 H new ATOM 0 HB ILE A 65 4.421 -5.276 -15.708 1.00 0.00 H new ATOM 0 HG12 ILE A 65 2.477 -5.894 -13.501 1.00 0.00 H new ATOM 0 HG13 ILE A 65 2.798 -7.144 -14.686 1.00 0.00 H new ATOM 0 HG21 ILE A 65 4.017 -3.674 -13.884 1.00 0.00 H new ATOM 0 HG22 ILE A 65 3.478 -3.036 -15.455 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.284 -3.655 -14.289 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.265 -7.382 -12.743 1.00 0.00 H new ATOM 0 HD12 ILE A 65 5.215 -7.004 -14.200 1.00 0.00 H new ATOM 0 HD13 ILE A 65 4.889 -5.734 -12.996 1.00 0.00 H new ATOM 1080 N LYS A 66 3.423 -4.164 -18.281 1.00 0.00 N ATOM 1081 CA LYS A 66 3.576 -3.071 -19.235 1.00 0.00 C ATOM 1082 C LYS A 66 2.310 -2.896 -20.071 1.00 0.00 C ATOM 1083 O LYS A 66 1.794 -1.787 -20.207 1.00 0.00 O ATOM 1084 CB LYS A 66 4.774 -3.329 -20.150 1.00 0.00 C ATOM 1085 CG LYS A 66 6.063 -3.613 -19.396 1.00 0.00 C ATOM 1086 CD LYS A 66 6.915 -4.645 -20.118 1.00 0.00 C ATOM 1087 CE LYS A 66 7.376 -4.137 -21.475 1.00 0.00 C ATOM 1088 NZ LYS A 66 8.798 -4.486 -21.747 1.00 0.00 N ATOM 0 H LYS A 66 4.121 -4.902 -18.370 1.00 0.00 H new ATOM 0 HA LYS A 66 3.748 -2.153 -18.673 1.00 0.00 H new ATOM 0 HB2 LYS A 66 4.549 -4.174 -20.800 1.00 0.00 H new ATOM 0 HB3 LYS A 66 4.923 -2.462 -20.794 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.629 -2.689 -19.280 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.828 -3.971 -18.393 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.783 -4.893 -19.507 1.00 0.00 H new ATOM 0 HD3 LYS A 66 6.343 -5.564 -20.247 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.743 -4.560 -22.255 1.00 0.00 H new ATOM 0 HE3 LYS A 66 7.254 -3.055 -21.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 9.072 -4.121 -22.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 9.405 -4.061 -21.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 8.911 -5.520 -21.732 1.00 0.00 H new ATOM 1102 N LYS A 67 1.817 -3.997 -20.628 1.00 0.00 N ATOM 1103 CA LYS A 67 0.611 -3.964 -21.447 1.00 0.00 C ATOM 1104 C LYS A 67 -0.599 -3.561 -20.613 1.00 0.00 C ATOM 1105 O LYS A 67 -1.446 -2.787 -21.062 1.00 0.00 O ATOM 1106 CB LYS A 67 0.369 -5.332 -22.091 1.00 0.00 C ATOM 1107 CG LYS A 67 1.198 -5.570 -23.343 1.00 0.00 C ATOM 1108 CD LYS A 67 0.374 -5.368 -24.605 1.00 0.00 C ATOM 1109 CE LYS A 67 -0.182 -6.684 -25.123 1.00 0.00 C ATOM 1110 NZ LYS A 67 -0.590 -6.591 -26.552 1.00 0.00 N ATOM 0 H LYS A 67 2.234 -4.923 -20.527 1.00 0.00 H new ATOM 0 HA LYS A 67 0.754 -3.221 -22.232 1.00 0.00 H new ATOM 0 HB2 LYS A 67 0.593 -6.112 -21.363 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -0.688 -5.424 -22.342 1.00 0.00 H new ATOM 0 HG2 LYS A 67 2.050 -4.890 -23.351 1.00 0.00 H new ATOM 0 HG3 LYS A 67 1.599 -6.583 -23.328 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -0.447 -4.681 -24.399 1.00 0.00 H new ATOM 0 HD3 LYS A 67 0.992 -4.905 -25.374 1.00 0.00 H new ATOM 0 HE2 LYS A 67 0.570 -7.465 -25.010 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -1.040 -6.978 -24.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -0.964 -7.509 -26.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -1.326 -5.864 -26.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 0.234 -6.335 -27.132 1.00 0.00 H new ATOM 1124 N ARG A 68 -0.674 -4.088 -19.395 1.00 0.00 N ATOM 1125 CA ARG A 68 -1.781 -3.782 -18.495 1.00 0.00 C ATOM 1126 C ARG A 68 -1.880 -2.280 -18.247 1.00 0.00 C ATOM 1127 O ARG A 68 -2.962 -1.698 -18.321 1.00 0.00 O ATOM 1128 CB ARG A 68 -1.602 -4.524 -17.167 1.00 0.00 C ATOM 1129 CG ARG A 68 -2.683 -5.559 -16.898 1.00 0.00 C ATOM 1130 CD ARG A 68 -2.788 -6.564 -18.034 1.00 0.00 C ATOM 1131 NE ARG A 68 -3.910 -6.271 -18.923 1.00 0.00 N ATOM 1132 CZ ARG A 68 -4.445 -7.158 -19.759 1.00 0.00 C ATOM 1133 NH1 ARG A 68 -3.963 -8.393 -19.826 1.00 0.00 N ATOM 1134 NH2 ARG A 68 -5.465 -6.809 -20.531 1.00 0.00 N ATOM 0 H ARG A 68 0.019 -4.729 -19.008 1.00 0.00 H new ATOM 0 HA ARG A 68 -2.706 -4.114 -18.966 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.630 -5.017 -17.164 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -1.594 -3.799 -16.353 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -2.464 -6.082 -15.967 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -3.642 -5.058 -16.764 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -1.861 -6.561 -18.607 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -2.904 -7.566 -17.622 1.00 0.00 H new ATOM 0 HE ARG A 68 -4.307 -5.332 -18.902 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -3.178 -8.667 -19.235 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -4.377 -9.068 -20.469 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -5.839 -5.861 -20.484 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -5.875 -7.488 -21.172 1.00 0.00 H new ATOM 1148 N ILE A 69 -0.741 -1.657 -17.956 1.00 0.00 N ATOM 1149 CA ILE A 69 -0.700 -0.223 -17.701 1.00 0.00 C ATOM 1150 C ILE A 69 -1.149 0.563 -18.928 1.00 0.00 C ATOM 1151 O ILE A 69 -1.852 1.565 -18.812 1.00 0.00 O ATOM 1152 CB ILE A 69 0.717 0.234 -17.296 1.00 0.00 C ATOM 1153 CG1 ILE A 69 1.215 -0.580 -16.101 1.00 0.00 C ATOM 1154 CG2 ILE A 69 0.727 1.722 -16.971 1.00 0.00 C ATOM 1155 CD1 ILE A 69 2.718 -0.754 -16.074 1.00 0.00 C ATOM 0 H ILE A 69 0.164 -2.123 -17.891 1.00 0.00 H new ATOM 0 HA ILE A 69 -1.385 -0.025 -16.877 1.00 0.00 H new ATOM 0 HB ILE A 69 1.390 0.064 -18.137 1.00 0.00 H new ATOM 0 HG12 ILE A 69 0.897 -0.091 -15.180 1.00 0.00 H new ATOM 0 HG13 ILE A 69 0.744 -1.563 -16.119 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.735 2.026 -16.688 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.410 2.288 -17.847 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.043 1.919 -16.145 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.001 -1.341 -15.200 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.041 -1.271 -16.978 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.197 0.224 -16.025 1.00 0.00 H new ATOM 1167 N GLU A 70 -0.738 0.100 -20.106 1.00 0.00 N ATOM 1168 CA GLU A 70 -1.099 0.759 -21.357 1.00 0.00 C ATOM 1169 C GLU A 70 -2.609 0.951 -21.456 1.00 0.00 C ATOM 1170 O GLU A 70 -3.084 1.969 -21.960 1.00 0.00 O ATOM 1171 CB GLU A 70 -0.598 -0.056 -22.551 1.00 0.00 C ATOM 1172 CG GLU A 70 -0.239 0.791 -23.759 1.00 0.00 C ATOM 1173 CD GLU A 70 0.833 1.818 -23.454 1.00 0.00 C ATOM 1174 OE1 GLU A 70 2.016 1.430 -23.358 1.00 0.00 O ATOM 1175 OE2 GLU A 70 0.490 3.011 -23.312 1.00 0.00 O ATOM 0 H GLU A 70 -0.155 -0.729 -20.220 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.625 1.740 -21.371 1.00 0.00 H new ATOM 0 HB2 GLU A 70 0.278 -0.629 -22.247 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.366 -0.775 -22.837 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.104 0.141 -24.564 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -1.133 1.300 -24.119 1.00 0.00 H new ATOM 1182 N GLY A 71 -3.358 -0.033 -20.969 1.00 0.00 N ATOM 1183 CA GLY A 71 -4.806 0.047 -21.009 1.00 0.00 C ATOM 1184 C GLY A 71 -5.364 0.976 -19.949 1.00 0.00 C ATOM 1185 O GLY A 71 -6.432 1.563 -20.126 1.00 0.00 O ATOM 0 H GLY A 71 -2.988 -0.885 -20.547 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.121 0.393 -21.993 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.226 -0.950 -20.872 1.00 0.00 H new ATOM 1189 N LEU A 72 -4.639 1.112 -18.843 1.00 0.00 N ATOM 1190 CA LEU A 72 -5.068 1.976 -17.749 1.00 0.00 C ATOM 1191 C LEU A 72 -4.959 3.447 -18.140 1.00 0.00 C ATOM 1192 O LEU A 72 -5.847 4.245 -17.844 1.00 0.00 O ATOM 1193 CB LEU A 72 -4.231 1.705 -16.497 1.00 0.00 C ATOM 1194 CG LEU A 72 -4.471 0.344 -15.842 1.00 0.00 C ATOM 1195 CD1 LEU A 72 -3.543 0.151 -14.653 1.00 0.00 C ATOM 1196 CD2 LEU A 72 -5.925 0.210 -15.412 1.00 0.00 C ATOM 0 H LEU A 72 -3.752 0.635 -18.681 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.113 1.753 -17.534 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -3.176 1.784 -16.759 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -4.437 2.485 -15.764 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.254 -0.433 -16.575 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.729 -0.823 -14.201 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.507 0.204 -14.988 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.727 0.934 -13.917 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -6.079 -0.764 -14.948 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.166 0.995 -14.696 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.572 0.303 -16.284 1.00 0.00 H new ATOM 1208 N ILE A 73 -3.866 3.799 -18.810 1.00 0.00 N ATOM 1209 CA ILE A 73 -3.650 5.174 -19.244 1.00 0.00 C ATOM 1210 C ILE A 73 -4.789 5.645 -20.143 1.00 0.00 C ATOM 1211 O ILE A 73 -5.224 6.794 -20.063 1.00 0.00 O ATOM 1212 CB ILE A 73 -2.313 5.325 -20.000 1.00 0.00 C ATOM 1213 CG1 ILE A 73 -1.161 4.768 -19.161 1.00 0.00 C ATOM 1214 CG2 ILE A 73 -2.060 6.786 -20.353 1.00 0.00 C ATOM 1215 CD1 ILE A 73 0.194 4.916 -19.820 1.00 0.00 C ATOM 0 H ILE A 73 -3.118 3.153 -19.063 1.00 0.00 H new ATOM 0 HA ILE A 73 -3.617 5.791 -18.346 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.373 4.754 -20.927 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.145 5.277 -18.197 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.345 3.713 -18.961 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.113 6.873 -20.886 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.868 7.152 -20.987 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.018 7.379 -19.439 1.00 0.00 H new ATOM 0 HD11 ILE A 73 0.963 4.500 -19.169 1.00 0.00 H new ATOM 0 HD12 ILE A 73 0.196 4.383 -20.771 1.00 0.00 H new ATOM 0 HD13 ILE A 73 0.400 5.972 -19.995 1.00 0.00 H new ATOM 1227 N GLU A 74 -5.270 4.747 -20.995 1.00 0.00 N ATOM 1228 CA GLU A 74 -6.360 5.064 -21.910 1.00 0.00 C ATOM 1229 C GLU A 74 -7.695 5.129 -21.172 1.00 0.00 C ATOM 1230 O GLU A 74 -8.640 5.768 -21.636 1.00 0.00 O ATOM 1231 CB GLU A 74 -6.433 4.023 -23.029 1.00 0.00 C ATOM 1232 CG GLU A 74 -7.301 4.451 -24.201 1.00 0.00 C ATOM 1233 CD GLU A 74 -8.568 3.626 -24.321 1.00 0.00 C ATOM 1234 OE1 GLU A 74 -9.076 3.164 -23.279 1.00 0.00 O ATOM 1235 OE2 GLU A 74 -9.051 3.443 -25.459 1.00 0.00 O ATOM 0 H GLU A 74 -4.921 3.791 -21.071 1.00 0.00 H new ATOM 0 HA GLU A 74 -6.160 6.043 -22.345 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -5.425 3.818 -23.390 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -6.822 3.090 -22.621 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -7.566 5.502 -24.087 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -6.727 4.365 -25.124 1.00 0.00 H new ATOM 1242 N ARG A 75 -7.770 4.461 -20.024 1.00 0.00 N ATOM 1243 CA ARG A 75 -8.994 4.445 -19.228 1.00 0.00 C ATOM 1244 C ARG A 75 -8.993 5.556 -18.179 1.00 0.00 C ATOM 1245 O ARG A 75 -9.762 5.512 -17.219 1.00 0.00 O ATOM 1246 CB ARG A 75 -9.163 3.087 -18.546 1.00 0.00 C ATOM 1247 CG ARG A 75 -9.550 1.970 -19.500 1.00 0.00 C ATOM 1248 CD ARG A 75 -9.307 0.604 -18.882 1.00 0.00 C ATOM 1249 NE ARG A 75 -10.401 0.197 -18.004 1.00 0.00 N ATOM 1250 CZ ARG A 75 -11.564 -0.283 -18.440 1.00 0.00 C ATOM 1251 NH1 ARG A 75 -11.787 -0.415 -19.742 1.00 0.00 N ATOM 1252 NH2 ARG A 75 -12.506 -0.629 -17.574 1.00 0.00 N ATOM 0 H ARG A 75 -7.000 3.925 -19.625 1.00 0.00 H new ATOM 0 HA ARG A 75 -9.832 4.618 -19.904 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -8.230 2.821 -18.048 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -9.925 3.172 -17.771 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -10.602 2.067 -19.769 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -8.975 2.061 -20.422 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -9.184 -0.135 -19.674 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -8.376 0.623 -18.316 1.00 0.00 H new ATOM 0 HE ARG A 75 -10.266 0.286 -16.997 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -11.066 -0.148 -20.413 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -12.679 -0.783 -20.072 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -12.340 -0.528 -16.573 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -13.397 -0.997 -17.909 1.00 0.00 H new ATOM 1266 N GLU A 76 -8.132 6.553 -18.367 1.00 0.00 N ATOM 1267 CA GLU A 76 -8.043 7.673 -17.436 1.00 0.00 C ATOM 1268 C GLU A 76 -7.614 7.208 -16.046 1.00 0.00 C ATOM 1269 O GLU A 76 -7.883 7.878 -15.050 1.00 0.00 O ATOM 1270 CB GLU A 76 -9.387 8.398 -17.349 1.00 0.00 C ATOM 1271 CG GLU A 76 -9.289 9.790 -16.745 1.00 0.00 C ATOM 1272 CD GLU A 76 -10.241 9.992 -15.582 1.00 0.00 C ATOM 1273 OE1 GLU A 76 -11.425 10.303 -15.831 1.00 0.00 O ATOM 1274 OE2 GLU A 76 -9.803 9.841 -14.422 1.00 0.00 O ATOM 0 H GLU A 76 -7.487 6.608 -19.155 1.00 0.00 H new ATOM 0 HA GLU A 76 -7.286 8.360 -17.814 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -9.815 8.474 -18.349 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -10.075 7.800 -16.752 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.267 9.964 -16.407 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -9.501 10.532 -17.515 1.00 0.00 H new ATOM 1281 N TYR A 77 -6.942 6.061 -15.984 1.00 0.00 N ATOM 1282 CA TYR A 77 -6.476 5.522 -14.711 1.00 0.00 C ATOM 1283 C TYR A 77 -5.080 6.041 -14.386 1.00 0.00 C ATOM 1284 O TYR A 77 -4.844 6.582 -13.307 1.00 0.00 O ATOM 1285 CB TYR A 77 -6.471 3.991 -14.747 1.00 0.00 C ATOM 1286 CG TYR A 77 -7.771 3.370 -14.290 1.00 0.00 C ATOM 1287 CD1 TYR A 77 -8.853 3.259 -15.155 1.00 0.00 C ATOM 1288 CD2 TYR A 77 -7.917 2.893 -12.994 1.00 0.00 C ATOM 1289 CE1 TYR A 77 -10.042 2.692 -14.741 1.00 0.00 C ATOM 1290 CE2 TYR A 77 -9.103 2.323 -12.572 1.00 0.00 C ATOM 1291 CZ TYR A 77 -10.163 2.224 -13.449 1.00 0.00 C ATOM 1292 OH TYR A 77 -11.345 1.658 -13.032 1.00 0.00 O ATOM 0 H TYR A 77 -6.709 5.490 -16.797 1.00 0.00 H new ATOM 0 HA TYR A 77 -7.161 5.853 -13.931 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -6.258 3.661 -15.764 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -5.661 3.624 -14.116 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -8.762 3.622 -16.168 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -7.090 2.969 -12.304 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -10.874 2.615 -15.426 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -9.199 1.957 -11.561 1.00 0.00 H new ATOM 0 HH TYR A 77 -11.262 1.380 -12.096 1.00 0.00 H new ATOM 1302 N LEU A 78 -4.159 5.874 -15.329 1.00 0.00 N ATOM 1303 CA LEU A 78 -2.785 6.331 -15.147 1.00 0.00 C ATOM 1304 C LEU A 78 -2.412 7.362 -16.206 1.00 0.00 C ATOM 1305 O LEU A 78 -3.182 7.626 -17.129 1.00 0.00 O ATOM 1306 CB LEU A 78 -1.818 5.146 -15.207 1.00 0.00 C ATOM 1307 CG LEU A 78 -2.210 3.942 -14.348 1.00 0.00 C ATOM 1308 CD1 LEU A 78 -1.120 2.880 -14.385 1.00 0.00 C ATOM 1309 CD2 LEU A 78 -2.488 4.377 -12.916 1.00 0.00 C ATOM 0 H LEU A 78 -4.339 5.426 -16.227 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.711 6.800 -14.166 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.732 4.820 -16.244 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.830 5.487 -14.897 1.00 0.00 H new ATOM 0 HG LEU A 78 -3.122 3.509 -14.758 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.417 2.032 -13.768 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -0.971 2.547 -15.412 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.190 3.300 -14.001 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -2.765 3.508 -12.319 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -1.593 4.836 -12.495 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.305 5.099 -12.907 1.00 0.00 H new ATOM 1321 N ALA A 79 -1.225 7.944 -16.067 1.00 0.00 N ATOM 1322 CA ALA A 79 -0.751 8.946 -17.013 1.00 0.00 C ATOM 1323 C ALA A 79 0.733 9.231 -16.817 1.00 0.00 C ATOM 1324 O ALA A 79 1.304 8.910 -15.774 1.00 0.00 O ATOM 1325 CB ALA A 79 -1.559 10.228 -16.870 1.00 0.00 C ATOM 0 H ALA A 79 -0.575 7.739 -15.309 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.887 8.551 -18.020 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.195 10.969 -17.582 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -2.610 10.020 -17.068 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.451 10.615 -15.857 1.00 0.00 H new ATOM 1331 N ARG A 80 1.354 9.835 -17.825 1.00 0.00 N ATOM 1332 CA ARG A 80 2.773 10.163 -17.763 1.00 0.00 C ATOM 1333 C ARG A 80 2.986 11.542 -17.147 1.00 0.00 C ATOM 1334 O ARG A 80 2.096 12.392 -17.181 1.00 0.00 O ATOM 1335 CB ARG A 80 3.390 10.116 -19.162 1.00 0.00 C ATOM 1336 CG ARG A 80 3.798 8.718 -19.600 1.00 0.00 C ATOM 1337 CD ARG A 80 4.528 8.743 -20.933 1.00 0.00 C ATOM 1338 NE ARG A 80 4.121 7.639 -21.799 1.00 0.00 N ATOM 1339 CZ ARG A 80 4.602 7.441 -23.024 1.00 0.00 C ATOM 1340 NH1 ARG A 80 5.506 8.270 -23.531 1.00 0.00 N ATOM 1341 NH2 ARG A 80 4.178 6.411 -23.744 1.00 0.00 N ATOM 0 H ARG A 80 0.896 10.107 -18.695 1.00 0.00 H new ATOM 0 HA ARG A 80 3.264 9.423 -17.131 1.00 0.00 H new ATOM 0 HB2 ARG A 80 2.675 10.518 -19.879 1.00 0.00 H new ATOM 0 HB3 ARG A 80 4.265 10.765 -19.186 1.00 0.00 H new ATOM 0 HG2 ARG A 80 4.440 8.270 -18.841 1.00 0.00 H new ATOM 0 HG3 ARG A 80 2.912 8.088 -19.681 1.00 0.00 H new ATOM 0 HD2 ARG A 80 4.332 9.690 -21.436 1.00 0.00 H new ATOM 0 HD3 ARG A 80 5.603 8.691 -20.759 1.00 0.00 H new ATOM 0 HE ARG A 80 3.427 6.981 -21.444 1.00 0.00 H new ATOM 0 HH11 ARG A 80 5.835 9.063 -22.981 1.00 0.00 H new ATOM 0 HH12 ARG A 80 5.871 8.114 -24.470 1.00 0.00 H new ATOM 0 HH21 ARG A 80 3.483 5.771 -23.359 1.00 0.00 H new ATOM 0 HH22 ARG A 80 4.546 6.259 -24.683 1.00 0.00 H new ATOM 1355 N THR A 81 4.170 11.757 -16.584 1.00 0.00 N ATOM 1356 CA THR A 81 4.499 13.033 -15.961 1.00 0.00 C ATOM 1357 C THR A 81 5.049 14.018 -16.991 1.00 0.00 C ATOM 1358 O THR A 81 5.650 13.616 -17.987 1.00 0.00 O ATOM 1359 CB THR A 81 5.521 12.828 -14.841 1.00 0.00 C ATOM 1360 OG1 THR A 81 6.708 12.241 -15.345 1.00 0.00 O ATOM 1361 CG2 THR A 81 5.012 11.946 -13.721 1.00 0.00 C ATOM 0 H THR A 81 4.918 11.064 -16.546 1.00 0.00 H new ATOM 0 HA THR A 81 3.584 13.449 -15.539 1.00 0.00 H new ATOM 0 HB THR A 81 5.713 13.823 -14.440 1.00 0.00 H new ATOM 0 HG1 THR A 81 6.725 12.324 -16.321 1.00 0.00 H new ATOM 0 HG21 THR A 81 5.785 11.842 -12.960 1.00 0.00 H new ATOM 0 HG22 THR A 81 4.125 12.397 -13.277 1.00 0.00 H new ATOM 0 HG23 THR A 81 4.759 10.963 -14.118 1.00 0.00 H new ATOM 1369 N PRO A 82 4.847 15.327 -16.762 1.00 0.00 N ATOM 1370 CA PRO A 82 5.324 16.370 -17.676 1.00 0.00 C ATOM 1371 C PRO A 82 6.845 16.493 -17.672 1.00 0.00 C ATOM 1372 O PRO A 82 7.446 16.913 -18.660 1.00 0.00 O ATOM 1373 CB PRO A 82 4.684 17.647 -17.126 1.00 0.00 C ATOM 1374 CG PRO A 82 4.447 17.361 -15.683 1.00 0.00 C ATOM 1375 CD PRO A 82 4.140 15.892 -15.598 1.00 0.00 C ATOM 0 HA PRO A 82 5.058 16.156 -18.711 1.00 0.00 H new ATOM 0 HB2 PRO A 82 5.341 18.507 -17.256 1.00 0.00 H new ATOM 0 HB3 PRO A 82 3.752 17.877 -17.642 1.00 0.00 H new ATOM 0 HG2 PRO A 82 5.324 17.612 -15.086 1.00 0.00 H new ATOM 0 HG3 PRO A 82 3.619 17.956 -15.298 1.00 0.00 H new ATOM 0 HD2 PRO A 82 4.497 15.460 -14.663 1.00 0.00 H new ATOM 0 HD3 PRO A 82 3.068 15.702 -15.648 1.00 0.00 H new ATOM 1383 N GLU A 83 7.460 16.122 -16.554 1.00 0.00 N ATOM 1384 CA GLU A 83 8.911 16.190 -16.422 1.00 0.00 C ATOM 1385 C GLU A 83 9.585 15.104 -17.254 1.00 0.00 C ATOM 1386 O GLU A 83 10.238 15.391 -18.257 1.00 0.00 O ATOM 1387 CB GLU A 83 9.317 16.051 -14.954 1.00 0.00 C ATOM 1388 CG GLU A 83 9.058 17.301 -14.129 1.00 0.00 C ATOM 1389 CD GLU A 83 9.783 17.282 -12.798 1.00 0.00 C ATOM 1390 OE1 GLU A 83 11.021 17.117 -12.799 1.00 0.00 O ATOM 1391 OE2 GLU A 83 9.113 17.433 -11.754 1.00 0.00 O ATOM 0 H GLU A 83 6.977 15.771 -15.727 1.00 0.00 H new ATOM 0 HA GLU A 83 9.240 17.161 -16.792 1.00 0.00 H new ATOM 0 HB2 GLU A 83 8.773 15.216 -14.513 1.00 0.00 H new ATOM 0 HB3 GLU A 83 10.377 15.804 -14.901 1.00 0.00 H new ATOM 0 HG2 GLU A 83 9.371 18.178 -14.696 1.00 0.00 H new ATOM 0 HG3 GLU A 83 7.987 17.401 -13.954 1.00 0.00 H new ATOM 1398 N ASP A 84 9.424 13.854 -16.829 1.00 0.00 N ATOM 1399 CA ASP A 84 10.017 12.725 -17.534 1.00 0.00 C ATOM 1400 C ASP A 84 8.948 11.905 -18.250 1.00 0.00 C ATOM 1401 O ASP A 84 7.752 12.132 -18.068 1.00 0.00 O ATOM 1402 CB ASP A 84 10.788 11.835 -16.557 1.00 0.00 C ATOM 1403 CG ASP A 84 12.250 12.224 -16.449 1.00 0.00 C ATOM 1404 OD1 ASP A 84 12.533 13.434 -16.323 1.00 0.00 O ATOM 1405 OD2 ASP A 84 13.110 11.320 -16.491 1.00 0.00 O ATOM 0 H ASP A 84 8.888 13.599 -16.000 1.00 0.00 H new ATOM 0 HA ASP A 84 10.707 13.119 -18.280 1.00 0.00 H new ATOM 0 HB2 ASP A 84 10.325 11.896 -15.572 1.00 0.00 H new ATOM 0 HB3 ASP A 84 10.714 10.797 -16.880 1.00 0.00 H new ATOM 1410 N ARG A 85 9.388 10.952 -19.064 1.00 0.00 N ATOM 1411 CA ARG A 85 8.472 10.097 -19.807 1.00 0.00 C ATOM 1412 C ARG A 85 8.397 8.701 -19.192 1.00 0.00 C ATOM 1413 O ARG A 85 7.454 7.951 -19.445 1.00 0.00 O ATOM 1414 CB ARG A 85 8.907 9.998 -21.270 1.00 0.00 C ATOM 1415 CG ARG A 85 8.649 11.266 -22.067 1.00 0.00 C ATOM 1416 CD ARG A 85 7.159 11.544 -22.204 1.00 0.00 C ATOM 1417 NE ARG A 85 6.807 11.992 -23.549 1.00 0.00 N ATOM 1418 CZ ARG A 85 5.558 12.207 -23.954 1.00 0.00 C ATOM 1419 NH1 ARG A 85 4.541 12.016 -23.123 1.00 0.00 N ATOM 1420 NH2 ARG A 85 5.324 12.614 -25.195 1.00 0.00 N ATOM 0 H ARG A 85 10.375 10.753 -19.226 1.00 0.00 H new ATOM 0 HA ARG A 85 7.480 10.547 -19.757 1.00 0.00 H new ATOM 0 HB2 ARG A 85 9.971 9.764 -21.309 1.00 0.00 H new ATOM 0 HB3 ARG A 85 8.380 9.168 -21.742 1.00 0.00 H new ATOM 0 HG2 ARG A 85 9.134 12.110 -21.577 1.00 0.00 H new ATOM 0 HG3 ARG A 85 9.095 11.172 -23.057 1.00 0.00 H new ATOM 0 HD2 ARG A 85 6.598 10.641 -21.965 1.00 0.00 H new ATOM 0 HD3 ARG A 85 6.864 12.304 -21.480 1.00 0.00 H new ATOM 0 HE ARG A 85 7.562 12.149 -24.216 1.00 0.00 H new ATOM 0 HH11 ARG A 85 4.715 11.703 -22.168 1.00 0.00 H new ATOM 0 HH12 ARG A 85 3.586 12.183 -23.439 1.00 0.00 H new ATOM 0 HH21 ARG A 85 6.102 12.762 -25.838 1.00 0.00 H new ATOM 0 HH22 ARG A 85 4.367 12.779 -25.506 1.00 0.00 H new ATOM 1434 N LYS A 86 9.397 8.355 -18.384 1.00 0.00 N ATOM 1435 CA LYS A 86 9.439 7.049 -17.737 1.00 0.00 C ATOM 1436 C LYS A 86 8.868 7.121 -16.323 1.00 0.00 C ATOM 1437 O LYS A 86 9.366 6.468 -15.406 1.00 0.00 O ATOM 1438 CB LYS A 86 10.877 6.523 -17.696 1.00 0.00 C ATOM 1439 CG LYS A 86 11.022 5.108 -18.234 1.00 0.00 C ATOM 1440 CD LYS A 86 11.737 5.089 -19.575 1.00 0.00 C ATOM 1441 CE LYS A 86 10.757 5.206 -20.732 1.00 0.00 C ATOM 1442 NZ LYS A 86 10.274 6.603 -20.911 1.00 0.00 N ATOM 0 H LYS A 86 10.187 8.961 -18.163 1.00 0.00 H new ATOM 0 HA LYS A 86 8.825 6.363 -18.320 1.00 0.00 H new ATOM 0 HB2 LYS A 86 11.516 7.190 -18.275 1.00 0.00 H new ATOM 0 HB3 LYS A 86 11.236 6.550 -16.667 1.00 0.00 H new ATOM 0 HG2 LYS A 86 11.575 4.501 -17.518 1.00 0.00 H new ATOM 0 HG3 LYS A 86 10.036 4.656 -18.341 1.00 0.00 H new ATOM 0 HD2 LYS A 86 12.452 5.910 -19.619 1.00 0.00 H new ATOM 0 HD3 LYS A 86 12.307 4.165 -19.672 1.00 0.00 H new ATOM 0 HE2 LYS A 86 11.237 4.867 -21.650 1.00 0.00 H new ATOM 0 HE3 LYS A 86 9.906 4.548 -20.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 9.264 6.655 -20.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 10.813 7.239 -20.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 10.407 6.892 -21.901 1.00 0.00 H new ATOM 1456 N VAL A 87 7.817 7.919 -16.153 1.00 0.00 N ATOM 1457 CA VAL A 87 7.176 8.076 -14.853 1.00 0.00 C ATOM 1458 C VAL A 87 5.661 8.169 -14.998 1.00 0.00 C ATOM 1459 O VAL A 87 5.148 9.039 -15.703 1.00 0.00 O ATOM 1460 CB VAL A 87 7.689 9.332 -14.122 1.00 0.00 C ATOM 1461 CG1 VAL A 87 7.186 9.357 -12.687 1.00 0.00 C ATOM 1462 CG2 VAL A 87 9.207 9.394 -14.165 1.00 0.00 C ATOM 0 H VAL A 87 7.392 8.467 -16.901 1.00 0.00 H new ATOM 0 HA VAL A 87 7.430 7.194 -14.265 1.00 0.00 H new ATOM 0 HB VAL A 87 7.300 10.212 -14.634 1.00 0.00 H new ATOM 0 HG11 VAL A 87 7.558 10.251 -12.186 1.00 0.00 H new ATOM 0 HG12 VAL A 87 6.096 9.367 -12.684 1.00 0.00 H new ATOM 0 HG13 VAL A 87 7.543 8.471 -12.161 1.00 0.00 H new ATOM 0 HG21 VAL A 87 9.550 10.288 -13.644 1.00 0.00 H new ATOM 0 HG22 VAL A 87 9.621 8.510 -13.680 1.00 0.00 H new ATOM 0 HG23 VAL A 87 9.540 9.429 -15.202 1.00 0.00 H new ATOM 1472 N TYR A 88 4.949 7.267 -14.329 1.00 0.00 N ATOM 1473 CA TYR A 88 3.492 7.250 -14.389 1.00 0.00 C ATOM 1474 C TYR A 88 2.887 7.914 -13.157 1.00 0.00 C ATOM 1475 O TYR A 88 3.552 8.073 -12.133 1.00 0.00 O ATOM 1476 CB TYR A 88 2.982 5.813 -14.509 1.00 0.00 C ATOM 1477 CG TYR A 88 3.552 5.063 -15.693 1.00 0.00 C ATOM 1478 CD1 TYR A 88 3.527 5.618 -16.966 1.00 0.00 C ATOM 1479 CD2 TYR A 88 4.114 3.802 -15.536 1.00 0.00 C ATOM 1480 CE1 TYR A 88 4.047 4.937 -18.050 1.00 0.00 C ATOM 1481 CE2 TYR A 88 4.635 3.115 -16.615 1.00 0.00 C ATOM 1482 CZ TYR A 88 4.600 3.686 -17.870 1.00 0.00 C ATOM 1483 OH TYR A 88 5.118 3.005 -18.947 1.00 0.00 O ATOM 0 H TYR A 88 5.356 6.540 -13.741 1.00 0.00 H new ATOM 0 HA TYR A 88 3.185 7.813 -15.270 1.00 0.00 H new ATOM 0 HB2 TYR A 88 3.227 5.272 -13.595 1.00 0.00 H new ATOM 0 HB3 TYR A 88 1.895 5.828 -14.589 1.00 0.00 H new ATOM 0 HD1 TYR A 88 3.094 6.597 -17.111 1.00 0.00 H new ATOM 0 HD2 TYR A 88 4.144 3.352 -14.555 1.00 0.00 H new ATOM 0 HE1 TYR A 88 4.021 5.382 -19.034 1.00 0.00 H new ATOM 0 HE2 TYR A 88 5.068 2.135 -16.477 1.00 0.00 H new ATOM 0 HH TYR A 88 5.469 2.140 -18.649 1.00 0.00 H new ATOM 1493 N THR A 89 1.620 8.302 -13.265 1.00 0.00 N ATOM 1494 CA THR A 89 0.920 8.949 -12.162 1.00 0.00 C ATOM 1495 C THR A 89 -0.526 8.470 -12.080 1.00 0.00 C ATOM 1496 O THR A 89 -1.043 7.863 -13.018 1.00 0.00 O ATOM 1497 CB THR A 89 0.957 10.469 -12.328 1.00 0.00 C ATOM 1498 OG1 THR A 89 0.698 10.833 -13.673 1.00 0.00 O ATOM 1499 CG2 THR A 89 2.283 11.082 -11.934 1.00 0.00 C ATOM 0 H THR A 89 1.057 8.179 -14.107 1.00 0.00 H new ATOM 0 HA THR A 89 1.427 8.679 -11.235 1.00 0.00 H new ATOM 0 HB THR A 89 0.186 10.851 -11.660 1.00 0.00 H new ATOM 0 HG1 THR A 89 0.724 11.809 -13.759 1.00 0.00 H new ATOM 0 HG21 THR A 89 2.241 12.162 -12.076 1.00 0.00 H new ATOM 0 HG22 THR A 89 2.489 10.861 -10.887 1.00 0.00 H new ATOM 0 HG23 THR A 89 3.076 10.665 -12.555 1.00 0.00 H new ATOM 1507 N TYR A 90 -1.174 8.747 -10.953 1.00 0.00 N ATOM 1508 CA TYR A 90 -2.560 8.344 -10.749 1.00 0.00 C ATOM 1509 C TYR A 90 -3.497 9.542 -10.863 1.00 0.00 C ATOM 1510 O TYR A 90 -3.483 10.436 -10.016 1.00 0.00 O ATOM 1511 CB TYR A 90 -2.726 7.680 -9.382 1.00 0.00 C ATOM 1512 CG TYR A 90 -3.980 6.845 -9.260 1.00 0.00 C ATOM 1513 CD1 TYR A 90 -4.221 5.789 -10.129 1.00 0.00 C ATOM 1514 CD2 TYR A 90 -4.925 7.114 -8.277 1.00 0.00 C ATOM 1515 CE1 TYR A 90 -5.368 5.023 -10.023 1.00 0.00 C ATOM 1516 CE2 TYR A 90 -6.073 6.353 -8.164 1.00 0.00 C ATOM 1517 CZ TYR A 90 -6.290 5.310 -9.039 1.00 0.00 C ATOM 1518 OH TYR A 90 -7.432 4.551 -8.929 1.00 0.00 O ATOM 0 H TYR A 90 -0.761 9.249 -10.167 1.00 0.00 H new ATOM 0 HA TYR A 90 -2.821 7.626 -11.526 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -1.859 7.048 -9.187 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -2.738 8.452 -8.612 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -3.501 5.562 -10.901 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -4.759 7.931 -7.590 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -5.540 4.205 -10.707 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -6.797 6.574 -7.394 1.00 0.00 H new ATOM 0 HH TYR A 90 -7.249 3.639 -9.237 1.00 0.00 H new ATOM 1528 N VAL A 91 -4.312 9.553 -11.913 1.00 0.00 N ATOM 1529 CA VAL A 91 -5.257 10.641 -12.137 1.00 0.00 C ATOM 1530 C VAL A 91 -6.696 10.144 -12.059 1.00 0.00 C ATOM 1531 O VAL A 91 -7.584 10.677 -12.726 1.00 0.00 O ATOM 1532 CB VAL A 91 -5.031 11.312 -13.504 1.00 0.00 C ATOM 1533 CG1 VAL A 91 -3.838 12.253 -13.449 1.00 0.00 C ATOM 1534 CG2 VAL A 91 -4.842 10.261 -14.584 1.00 0.00 C ATOM 0 H VAL A 91 -4.337 8.820 -12.622 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.085 11.375 -11.349 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.914 11.902 -13.751 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.695 12.717 -14.425 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.019 13.026 -12.702 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.944 11.691 -13.180 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.683 10.751 -15.545 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.976 9.644 -14.344 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.731 9.633 -14.640 1.00 0.00 H new ATOM 1544 N ALA A 92 -6.920 9.119 -11.243 1.00 0.00 N ATOM 1545 CA ALA A 92 -8.253 8.550 -11.079 1.00 0.00 C ATOM 1546 C ALA A 92 -8.743 8.708 -9.644 1.00 0.00 C ATOM 1547 CB ALA A 92 -8.251 7.082 -11.479 1.00 0.00 C ATOM 0 H ALA A 92 -6.196 8.666 -10.685 1.00 0.00 H new ATOM 0 HA ALA A 92 -8.937 9.093 -11.731 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -9.252 6.669 -11.352 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -7.950 6.990 -12.523 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -7.550 6.534 -10.849 1.00 0.00 H new