USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=12 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 Set 1.1: A 43 HIS : no HD1:sc= -0.666 X(o=-0.63,f=-0.81) USER MOD Set 1.2: A 88 TYR OH : rot 172:sc= 0.0318 USER MOD Single : A 24 LYS NZ :NH3+ -151:sc= -0.099 (180deg=-1.37) USER MOD Single : A 25 HIS : no HD1:sc= -0.246 X(o=-0.25,f=-0.45) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -121:sc= 0 (180deg=-0.00433) 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+ 150:sc= -0.36 (180deg=-1.25!) USER MOD Single : A 41 MET CE :methyl 154:sc= -2.53 (180deg=-4.34!) USER MOD Single : A 42 GLN : amide:sc= -0.0654 K(o=-0.065,f=-1.5!) USER MOD Single : A 44 ASN : amide:sc=-0.00799 K(o=-0.008,f=-1.6) USER MOD Single : A 51 THR OG1 : rot 69:sc= 1.21 USER MOD Single : A 52 GLN : amide:sc= -1.24 K(o=-1.2,f=-0.41) USER MOD Single : A 53 GLN : amide:sc= -1.56 K(o=-1.6,f=-0.32) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= -0.469 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 -30:sc= 0.0364 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= -0.0435 USER MOD ----------------------------------------------------------------- ATOM 365 N LYS A 24 -3.685 -12.781 -16.027 1.00 0.00 N ATOM 366 CA LYS A 24 -3.098 -11.546 -16.532 1.00 0.00 C ATOM 367 C LYS A 24 -3.961 -10.346 -16.156 1.00 0.00 C ATOM 368 O LYS A 24 -3.954 -9.322 -16.841 1.00 0.00 O ATOM 369 CB LYS A 24 -2.935 -11.621 -18.051 1.00 0.00 C ATOM 370 CG LYS A 24 -2.109 -10.484 -18.633 1.00 0.00 C ATOM 371 CD LYS A 24 -2.751 -9.908 -19.887 1.00 0.00 C ATOM 372 CE LYS A 24 -1.731 -9.721 -21.000 1.00 0.00 C ATOM 373 NZ LYS A 24 -2.055 -8.551 -21.860 1.00 0.00 N ATOM 0 HA LYS A 24 -2.116 -11.421 -16.076 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.466 -12.570 -18.311 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.922 -11.616 -18.514 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.996 -9.697 -17.887 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.108 -10.845 -18.869 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.546 -10.572 -20.228 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.215 -8.950 -19.652 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.740 -9.589 -20.566 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.693 -10.622 -21.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.694 -8.716 -22.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.086 -8.421 -21.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.611 -7.697 -21.466 1.00 0.00 H new ATOM 387 N HIS A 25 -4.707 -10.482 -15.064 1.00 0.00 N ATOM 388 CA HIS A 25 -5.581 -9.416 -14.591 1.00 0.00 C ATOM 389 C HIS A 25 -5.194 -8.978 -13.181 1.00 0.00 C ATOM 390 O HIS A 25 -5.205 -7.788 -12.864 1.00 0.00 O ATOM 391 CB HIS A 25 -7.039 -9.881 -14.612 1.00 0.00 C ATOM 392 CG HIS A 25 -7.957 -8.942 -15.332 1.00 0.00 C ATOM 393 ND1 HIS A 25 -7.675 -7.603 -15.510 1.00 0.00 N ATOM 394 CD2 HIS A 25 -9.157 -9.154 -15.924 1.00 0.00 C ATOM 395 CE1 HIS A 25 -8.663 -7.033 -16.178 1.00 0.00 C ATOM 396 NE2 HIS A 25 -9.573 -7.953 -16.441 1.00 0.00 N ATOM 0 H HIS A 25 -4.723 -11.324 -14.489 1.00 0.00 H new ATOM 0 HA HIS A 25 -5.468 -8.562 -15.259 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -7.092 -10.862 -15.085 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -7.388 -10.002 -13.586 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -9.687 -10.093 -15.979 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -8.717 -5.992 -16.461 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -10.445 -7.796 -16.947 1.00 0.00 H new ATOM 405 N GLU A 26 -4.855 -9.949 -12.337 1.00 0.00 N ATOM 406 CA GLU A 26 -4.466 -9.669 -10.959 1.00 0.00 C ATOM 407 C GLU A 26 -3.324 -8.657 -10.905 1.00 0.00 C ATOM 408 O GLU A 26 -3.197 -7.901 -9.942 1.00 0.00 O ATOM 409 CB GLU A 26 -4.056 -10.963 -10.251 1.00 0.00 C ATOM 410 CG GLU A 26 -4.926 -11.301 -9.052 1.00 0.00 C ATOM 411 CD GLU A 26 -4.378 -10.736 -7.756 1.00 0.00 C ATOM 412 OE1 GLU A 26 -4.011 -9.543 -7.737 1.00 0.00 O ATOM 413 OE2 GLU A 26 -4.316 -11.488 -6.760 1.00 0.00 O ATOM 0 H GLU A 26 -4.842 -10.938 -12.585 1.00 0.00 H new ATOM 0 HA GLU A 26 -5.326 -9.239 -10.446 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.098 -11.787 -10.964 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -3.020 -10.876 -9.925 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.931 -10.913 -9.217 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.012 -12.384 -8.964 1.00 0.00 H new ATOM 420 N ILE A 27 -2.496 -8.648 -11.945 1.00 0.00 N ATOM 421 CA ILE A 27 -1.367 -7.729 -12.012 1.00 0.00 C ATOM 422 C ILE A 27 -1.837 -6.306 -12.297 1.00 0.00 C ATOM 423 O ILE A 27 -1.246 -5.338 -11.817 1.00 0.00 O ATOM 424 CB ILE A 27 -0.359 -8.153 -13.098 1.00 0.00 C ATOM 425 CG1 ILE A 27 -0.002 -9.633 -12.946 1.00 0.00 C ATOM 426 CG2 ILE A 27 0.891 -7.291 -13.026 1.00 0.00 C ATOM 427 CD1 ILE A 27 0.565 -10.249 -14.206 1.00 0.00 C ATOM 0 H ILE A 27 -2.586 -9.266 -12.751 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.874 -7.760 -11.040 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.820 -8.009 -14.075 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.723 -9.743 -12.139 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.894 -10.185 -12.650 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.593 -7.603 -13.799 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.622 -6.246 -13.180 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.356 -7.405 -12.047 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.795 -11.299 -14.026 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.167 -10.171 -15.010 1.00 0.00 H new ATOM 0 HD13 ILE A 27 1.475 -9.722 -14.491 1.00 0.00 H new ATOM 439 N GLU A 28 -2.905 -6.188 -13.077 1.00 0.00 N ATOM 440 CA GLU A 28 -3.458 -4.884 -13.425 1.00 0.00 C ATOM 441 C GLU A 28 -4.113 -4.233 -12.211 1.00 0.00 C ATOM 442 O GLU A 28 -3.916 -3.047 -11.949 1.00 0.00 O ATOM 443 CB GLU A 28 -4.478 -5.025 -14.556 1.00 0.00 C ATOM 444 CG GLU A 28 -4.703 -3.739 -15.334 1.00 0.00 C ATOM 445 CD GLU A 28 -5.744 -3.894 -16.425 1.00 0.00 C ATOM 446 OE1 GLU A 28 -5.782 -4.968 -17.062 1.00 0.00 O ATOM 447 OE2 GLU A 28 -6.521 -2.941 -16.645 1.00 0.00 O ATOM 0 H GLU A 28 -3.406 -6.980 -13.481 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.641 -4.246 -13.761 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.142 -5.802 -15.243 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.428 -5.358 -14.138 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.016 -2.953 -14.647 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.761 -3.418 -15.778 1.00 0.00 H new ATOM 454 N ALA A 29 -4.891 -5.018 -11.474 1.00 0.00 N ATOM 455 CA ALA A 29 -5.574 -4.519 -10.287 1.00 0.00 C ATOM 456 C ALA A 29 -4.573 -4.051 -9.235 1.00 0.00 C ATOM 457 O ALA A 29 -4.839 -3.113 -8.484 1.00 0.00 O ATOM 458 CB ALA A 29 -6.487 -5.594 -9.712 1.00 0.00 C ATOM 0 H ALA A 29 -5.064 -6.002 -11.678 1.00 0.00 H new ATOM 0 HA ALA A 29 -6.181 -3.662 -10.579 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.991 -5.208 -8.826 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -7.230 -5.877 -10.457 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.894 -6.468 -9.441 1.00 0.00 H new ATOM 464 N ALA A 30 -3.420 -4.710 -9.190 1.00 0.00 N ATOM 465 CA ALA A 30 -2.378 -4.362 -8.233 1.00 0.00 C ATOM 466 C ALA A 30 -1.861 -2.948 -8.475 1.00 0.00 C ATOM 467 O ALA A 30 -1.713 -2.162 -7.540 1.00 0.00 O ATOM 468 CB ALA A 30 -1.235 -5.364 -8.308 1.00 0.00 C ATOM 0 H ALA A 30 -3.184 -5.488 -9.806 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.811 -4.397 -7.233 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.464 -5.091 -7.587 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -1.610 -6.361 -8.078 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.811 -5.358 -9.312 1.00 0.00 H new ATOM 474 N ILE A 31 -1.591 -2.632 -9.738 1.00 0.00 N ATOM 475 CA ILE A 31 -1.092 -1.311 -10.103 1.00 0.00 C ATOM 476 C ILE A 31 -2.085 -0.223 -9.705 1.00 0.00 C ATOM 477 O ILE A 31 -1.691 0.863 -9.277 1.00 0.00 O ATOM 478 CB ILE A 31 -0.815 -1.214 -11.618 1.00 0.00 C ATOM 479 CG1 ILE A 31 0.118 -2.343 -12.061 1.00 0.00 C ATOM 480 CG2 ILE A 31 -0.215 0.141 -11.964 1.00 0.00 C ATOM 481 CD1 ILE A 31 0.395 -2.346 -13.549 1.00 0.00 C ATOM 0 H ILE A 31 -1.709 -3.271 -10.524 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.157 -1.162 -9.562 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.760 -1.317 -12.151 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.062 -2.256 -11.524 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.322 -3.300 -11.779 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.026 0.192 -13.036 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.911 0.930 -11.680 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.722 0.272 -11.424 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.063 -3.172 -13.793 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.542 -2.464 -14.093 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.864 -1.404 -13.834 1.00 0.00 H new ATOM 493 N VAL A 32 -3.371 -0.521 -9.848 1.00 0.00 N ATOM 494 CA VAL A 32 -4.419 0.432 -9.502 1.00 0.00 C ATOM 495 C VAL A 32 -4.514 0.616 -7.990 1.00 0.00 C ATOM 496 O VAL A 32 -4.885 1.686 -7.508 1.00 0.00 O ATOM 497 CB VAL A 32 -5.791 -0.019 -10.040 1.00 0.00 C ATOM 498 CG1 VAL A 32 -6.838 1.060 -9.808 1.00 0.00 C ATOM 499 CG2 VAL A 32 -5.697 -0.369 -11.519 1.00 0.00 C ATOM 0 H VAL A 32 -3.713 -1.415 -10.201 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.150 1.381 -9.967 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.096 -0.913 -9.496 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.800 0.723 -10.195 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -6.926 1.258 -8.740 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.540 1.973 -10.323 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -6.675 -0.685 -11.881 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.368 0.506 -12.080 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -4.980 -1.179 -11.656 1.00 0.00 H new ATOM 509 N ARG A 33 -4.175 -0.434 -7.250 1.00 0.00 N ATOM 510 CA ARG A 33 -4.221 -0.387 -5.793 1.00 0.00 C ATOM 511 C ARG A 33 -3.044 0.411 -5.238 1.00 0.00 C ATOM 512 O ARG A 33 -3.213 1.246 -4.348 1.00 0.00 O ATOM 513 CB ARG A 33 -4.211 -1.806 -5.216 1.00 0.00 C ATOM 514 CG ARG A 33 -5.423 -2.120 -4.353 1.00 0.00 C ATOM 515 CD ARG A 33 -5.024 -2.455 -2.925 1.00 0.00 C ATOM 516 NE ARG A 33 -5.816 -3.555 -2.379 1.00 0.00 N ATOM 517 CZ ARG A 33 -7.123 -3.481 -2.143 1.00 0.00 C ATOM 518 NH1 ARG A 33 -7.789 -2.362 -2.402 1.00 0.00 N ATOM 519 NH2 ARG A 33 -7.767 -4.527 -1.645 1.00 0.00 N ATOM 0 H ARG A 33 -3.866 -1.327 -7.634 1.00 0.00 H new ATOM 0 HA ARG A 33 -5.145 0.111 -5.498 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -4.164 -2.523 -6.036 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -3.307 -1.941 -4.622 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -6.100 -1.265 -4.351 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -5.970 -2.958 -4.784 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -3.967 -2.720 -2.897 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -5.148 -1.573 -2.297 1.00 0.00 H new ATOM 0 HE ARG A 33 -5.339 -4.431 -2.166 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -7.298 -1.553 -2.784 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -8.791 -2.311 -2.219 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -7.260 -5.389 -1.443 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -8.769 -4.470 -1.464 1.00 0.00 H new ATOM 533 N ILE A 34 -1.856 0.151 -5.771 1.00 0.00 N ATOM 534 CA ILE A 34 -0.652 0.845 -5.331 1.00 0.00 C ATOM 535 C ILE A 34 -0.719 2.329 -5.682 1.00 0.00 C ATOM 536 O ILE A 34 -0.367 3.186 -4.870 1.00 0.00 O ATOM 537 CB ILE A 34 0.614 0.232 -5.961 1.00 0.00 C ATOM 538 CG1 ILE A 34 0.663 -1.274 -5.697 1.00 0.00 C ATOM 539 CG2 ILE A 34 1.864 0.909 -5.417 1.00 0.00 C ATOM 540 CD1 ILE A 34 1.634 -2.013 -6.592 1.00 0.00 C ATOM 0 H ILE A 34 -1.701 -0.536 -6.509 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.596 0.732 -4.248 1.00 0.00 H new ATOM 0 HB ILE A 34 0.577 0.395 -7.038 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.939 -1.443 -4.656 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.335 -1.691 -5.834 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.747 0.463 -5.873 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.833 1.973 -5.651 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.908 0.777 -4.336 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.616 -3.075 -6.349 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.346 -1.874 -7.634 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.640 -1.622 -6.438 1.00 0.00 H new ATOM 552 N MET A 35 -1.174 2.627 -6.895 1.00 0.00 N ATOM 553 CA MET A 35 -1.289 4.007 -7.351 1.00 0.00 C ATOM 554 C MET A 35 -2.339 4.762 -6.542 1.00 0.00 C ATOM 555 O MET A 35 -2.229 5.971 -6.340 1.00 0.00 O ATOM 556 CB MET A 35 -1.648 4.048 -8.838 1.00 0.00 C ATOM 557 CG MET A 35 -0.488 3.714 -9.763 1.00 0.00 C ATOM 558 SD MET A 35 0.984 4.699 -9.431 1.00 0.00 S ATOM 559 CE MET A 35 0.886 5.869 -10.775 1.00 0.00 C ATOM 0 H MET A 35 -1.469 1.931 -7.580 1.00 0.00 H new ATOM 0 HA MET A 35 -0.324 4.493 -7.204 1.00 0.00 H new ATOM 0 HB2 MET A 35 -2.462 3.347 -9.024 1.00 0.00 H new ATOM 0 HB3 MET A 35 -2.021 5.042 -9.084 1.00 0.00 H new ATOM 0 HG2 MET A 35 -0.242 2.657 -9.661 1.00 0.00 H new ATOM 0 HG3 MET A 35 -0.798 3.871 -10.796 1.00 0.00 H new ATOM 0 HE1 MET A 35 1.728 6.558 -10.719 1.00 0.00 H new ATOM 0 HE2 MET A 35 0.916 5.335 -11.725 1.00 0.00 H new ATOM 0 HE3 MET A 35 -0.046 6.429 -10.703 1.00 0.00 H new ATOM 569 N LYS A 36 -3.357 4.041 -6.083 1.00 0.00 N ATOM 570 CA LYS A 36 -4.427 4.644 -5.298 1.00 0.00 C ATOM 571 C LYS A 36 -3.876 5.284 -4.026 1.00 0.00 C ATOM 572 O LYS A 36 -4.395 6.296 -3.554 1.00 0.00 O ATOM 573 CB LYS A 36 -5.481 3.593 -4.942 1.00 0.00 C ATOM 574 CG LYS A 36 -6.891 3.982 -5.355 1.00 0.00 C ATOM 575 CD LYS A 36 -7.924 3.021 -4.788 1.00 0.00 C ATOM 576 CE LYS A 36 -8.627 3.609 -3.575 1.00 0.00 C ATOM 577 NZ LYS A 36 -7.918 3.280 -2.307 1.00 0.00 N ATOM 0 H LYS A 36 -3.463 3.039 -6.241 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.892 5.424 -5.901 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.218 2.650 -5.421 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.461 3.420 -3.866 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.106 4.993 -5.010 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.962 3.994 -6.443 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.660 2.782 -5.556 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.438 2.086 -4.510 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.693 4.692 -3.683 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.648 3.230 -3.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.559 2.758 -1.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -7.085 2.693 -2.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -7.614 4.159 -1.841 1.00 0.00 H new ATOM 591 N SER A 37 -2.824 4.687 -3.477 1.00 0.00 N ATOM 592 CA SER A 37 -2.202 5.198 -2.261 1.00 0.00 C ATOM 593 C SER A 37 -0.955 6.014 -2.587 1.00 0.00 C ATOM 594 O SER A 37 -0.879 7.202 -2.275 1.00 0.00 O ATOM 595 CB SER A 37 -1.841 4.045 -1.324 1.00 0.00 C ATOM 596 OG SER A 37 -1.994 4.421 0.033 1.00 0.00 O ATOM 0 H SER A 37 -2.384 3.848 -3.855 1.00 0.00 H new ATOM 0 HA SER A 37 -2.920 5.850 -1.763 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.475 3.185 -1.540 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.812 3.735 -1.504 1.00 0.00 H new ATOM 0 HG SER A 37 -1.758 3.665 0.610 1.00 0.00 H new ATOM 602 N ARG A 38 0.021 5.367 -3.215 1.00 0.00 N ATOM 603 CA ARG A 38 1.267 6.031 -3.583 1.00 0.00 C ATOM 604 C ARG A 38 1.003 7.227 -4.495 1.00 0.00 C ATOM 605 O ARG A 38 1.800 8.164 -4.550 1.00 0.00 O ATOM 606 CB ARG A 38 2.208 5.046 -4.278 1.00 0.00 C ATOM 607 CG ARG A 38 2.492 3.797 -3.458 1.00 0.00 C ATOM 608 CD ARG A 38 3.881 3.837 -2.838 1.00 0.00 C ATOM 609 NE ARG A 38 3.866 3.425 -1.437 1.00 0.00 N ATOM 610 CZ ARG A 38 3.544 2.200 -1.028 1.00 0.00 C ATOM 611 NH1 ARG A 38 3.210 1.264 -1.909 1.00 0.00 N ATOM 612 NH2 ARG A 38 3.555 1.908 0.265 1.00 0.00 N ATOM 0 H ARG A 38 -0.026 4.383 -3.480 1.00 0.00 H new ATOM 0 HA ARG A 38 1.738 6.392 -2.669 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.773 4.753 -5.233 1.00 0.00 H new ATOM 0 HB3 ARG A 38 3.150 5.549 -4.498 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.744 3.700 -2.671 1.00 0.00 H new ATOM 0 HG3 ARG A 38 2.402 2.916 -4.093 1.00 0.00 H new ATOM 0 HD2 ARG A 38 4.548 3.184 -3.401 1.00 0.00 H new ATOM 0 HD3 ARG A 38 4.283 4.847 -2.915 1.00 0.00 H new ATOM 0 HE ARG A 38 4.117 4.117 -0.730 1.00 0.00 H new ATOM 0 HH11 ARG A 38 3.199 1.482 -2.905 1.00 0.00 H new ATOM 0 HH12 ARG A 38 2.964 0.327 -1.589 1.00 0.00 H new ATOM 0 HH21 ARG A 38 3.810 2.622 0.947 1.00 0.00 H new ATOM 0 HH22 ARG A 38 3.308 0.969 0.578 1.00 0.00 H new ATOM 626 N LYS A 39 -0.120 7.191 -5.208 1.00 0.00 N ATOM 627 CA LYS A 39 -0.489 8.272 -6.119 1.00 0.00 C ATOM 628 C LYS A 39 0.455 8.321 -7.316 1.00 0.00 C ATOM 629 O LYS A 39 0.069 7.994 -8.438 1.00 0.00 O ATOM 630 CB LYS A 39 -0.480 9.617 -5.385 1.00 0.00 C ATOM 631 CG LYS A 39 -1.861 10.233 -5.231 1.00 0.00 C ATOM 632 CD LYS A 39 -2.544 9.758 -3.958 1.00 0.00 C ATOM 633 CE LYS A 39 -3.998 10.203 -3.906 1.00 0.00 C ATOM 634 NZ LYS A 39 -4.401 10.634 -2.538 1.00 0.00 N ATOM 0 H LYS A 39 -0.791 6.424 -5.173 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.497 8.077 -6.484 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.040 9.480 -4.397 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.161 10.313 -5.926 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -1.776 11.320 -5.216 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.475 9.973 -6.093 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -2.493 8.671 -3.900 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -2.012 10.149 -3.091 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.151 11.025 -4.605 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -4.640 9.384 -4.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -5.398 10.929 -2.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.280 9.842 -1.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -3.806 11.432 -2.236 1.00 0.00 H new ATOM 648 N LYS A 40 1.696 8.730 -7.069 1.00 0.00 N ATOM 649 CA LYS A 40 2.695 8.821 -8.127 1.00 0.00 C ATOM 650 C LYS A 40 3.718 7.696 -8.007 1.00 0.00 C ATOM 651 O LYS A 40 3.999 7.214 -6.909 1.00 0.00 O ATOM 652 CB LYS A 40 3.400 10.179 -8.077 1.00 0.00 C ATOM 653 CG LYS A 40 3.604 10.809 -9.446 1.00 0.00 C ATOM 654 CD LYS A 40 5.064 10.768 -9.868 1.00 0.00 C ATOM 655 CE LYS A 40 5.440 11.991 -10.689 1.00 0.00 C ATOM 656 NZ LYS A 40 5.140 13.259 -9.968 1.00 0.00 N ATOM 0 H LYS A 40 2.033 9.003 -6.146 1.00 0.00 H new ATOM 0 HA LYS A 40 2.185 8.721 -9.085 1.00 0.00 H new ATOM 0 HB2 LYS A 40 2.817 10.859 -7.456 1.00 0.00 H new ATOM 0 HB3 LYS A 40 4.369 10.058 -7.594 1.00 0.00 H new ATOM 0 HG2 LYS A 40 2.997 10.284 -10.183 1.00 0.00 H new ATOM 0 HG3 LYS A 40 3.259 11.843 -9.427 1.00 0.00 H new ATOM 0 HD2 LYS A 40 5.698 10.713 -8.983 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.250 9.866 -10.450 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.502 11.953 -10.930 1.00 0.00 H new ATOM 0 HE3 LYS A 40 4.898 11.974 -11.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 5.814 13.994 -10.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 4.172 13.566 -10.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 5.224 13.104 -8.943 1.00 0.00 H new ATOM 670 N MET A 41 4.271 7.281 -9.141 1.00 0.00 N ATOM 671 CA MET A 41 5.263 6.212 -9.163 1.00 0.00 C ATOM 672 C MET A 41 5.978 6.163 -10.510 1.00 0.00 C ATOM 673 O MET A 41 5.515 6.744 -11.492 1.00 0.00 O ATOM 674 CB MET A 41 4.596 4.865 -8.873 1.00 0.00 C ATOM 675 CG MET A 41 5.221 4.116 -7.708 1.00 0.00 C ATOM 676 SD MET A 41 4.112 2.884 -6.999 1.00 0.00 S ATOM 677 CE MET A 41 5.289 1.768 -6.239 1.00 0.00 C ATOM 0 H MET A 41 4.049 7.669 -10.058 1.00 0.00 H new ATOM 0 HA MET A 41 6.002 6.417 -8.388 1.00 0.00 H new ATOM 0 HB2 MET A 41 3.539 5.030 -8.663 1.00 0.00 H new ATOM 0 HB3 MET A 41 4.650 4.242 -9.766 1.00 0.00 H new ATOM 0 HG2 MET A 41 6.135 3.626 -8.044 1.00 0.00 H new ATOM 0 HG3 MET A 41 5.508 4.829 -6.935 1.00 0.00 H new ATOM 0 HE1 MET A 41 4.813 1.247 -5.408 1.00 0.00 H new ATOM 0 HE2 MET A 41 5.629 1.041 -6.976 1.00 0.00 H new ATOM 0 HE3 MET A 41 6.143 2.336 -5.869 1.00 0.00 H new ATOM 687 N GLN A 42 7.110 5.468 -10.548 1.00 0.00 N ATOM 688 CA GLN A 42 7.888 5.345 -11.775 1.00 0.00 C ATOM 689 C GLN A 42 7.657 3.986 -12.432 1.00 0.00 C ATOM 690 O GLN A 42 6.997 3.115 -11.864 1.00 0.00 O ATOM 691 CB GLN A 42 9.378 5.538 -11.482 1.00 0.00 C ATOM 692 CG GLN A 42 10.031 6.612 -12.337 1.00 0.00 C ATOM 693 CD GLN A 42 11.506 6.351 -12.574 1.00 0.00 C ATOM 694 OE1 GLN A 42 12.092 5.449 -11.975 1.00 0.00 O ATOM 695 NE2 GLN A 42 12.113 7.142 -13.450 1.00 0.00 N ATOM 0 H GLN A 42 7.508 4.982 -9.745 1.00 0.00 H new ATOM 0 HA GLN A 42 7.558 6.122 -12.464 1.00 0.00 H new ATOM 0 HB2 GLN A 42 9.503 5.797 -10.430 1.00 0.00 H new ATOM 0 HB3 GLN A 42 9.897 4.593 -11.642 1.00 0.00 H new ATOM 0 HG2 GLN A 42 9.517 6.670 -13.297 1.00 0.00 H new ATOM 0 HG3 GLN A 42 9.910 7.581 -11.852 1.00 0.00 H new ATOM 0 HE21 GLN A 42 11.587 7.877 -13.923 1.00 0.00 H new ATOM 0 HE22 GLN A 42 13.105 7.015 -13.650 1.00 0.00 H new ATOM 704 N HIS A 43 8.203 3.814 -13.630 1.00 0.00 N ATOM 705 CA HIS A 43 8.056 2.563 -14.365 1.00 0.00 C ATOM 706 C HIS A 43 8.726 1.411 -13.620 1.00 0.00 C ATOM 707 O HIS A 43 8.096 0.391 -13.342 1.00 0.00 O ATOM 708 CB HIS A 43 8.656 2.696 -15.766 1.00 0.00 C ATOM 709 CG HIS A 43 8.160 1.662 -16.729 1.00 0.00 C ATOM 710 ND1 HIS A 43 6.912 1.083 -16.637 1.00 0.00 N ATOM 711 CD2 HIS A 43 8.753 1.104 -17.811 1.00 0.00 C ATOM 712 CE1 HIS A 43 6.759 0.212 -17.620 1.00 0.00 C ATOM 713 NE2 HIS A 43 7.860 0.207 -18.346 1.00 0.00 N ATOM 0 H HIS A 43 8.752 4.525 -14.113 1.00 0.00 H new ATOM 0 HA HIS A 43 6.991 2.346 -14.452 1.00 0.00 H new ATOM 0 HB2 HIS A 43 8.426 3.687 -16.159 1.00 0.00 H new ATOM 0 HB3 HIS A 43 9.741 2.625 -15.696 1.00 0.00 H new ATOM 0 HD2 HIS A 43 9.743 1.323 -18.184 1.00 0.00 H new ATOM 0 HE1 HIS A 43 5.882 -0.392 -17.798 1.00 0.00 H new ATOM 0 HE2 HIS A 43 8.022 -0.370 -19.171 1.00 0.00 H new ATOM 722 N ASN A 44 10.005 1.582 -13.301 1.00 0.00 N ATOM 723 CA ASN A 44 10.757 0.555 -12.590 1.00 0.00 C ATOM 724 C ASN A 44 10.178 0.323 -11.198 1.00 0.00 C ATOM 725 O ASN A 44 10.021 -0.818 -10.765 1.00 0.00 O ATOM 726 CB ASN A 44 12.230 0.956 -12.482 1.00 0.00 C ATOM 727 CG ASN A 44 12.960 0.838 -13.807 1.00 0.00 C ATOM 728 OD1 ASN A 44 12.341 0.838 -14.871 1.00 0.00 O ATOM 729 ND2 ASN A 44 14.282 0.736 -13.747 1.00 0.00 N ATOM 0 H ASN A 44 10.541 2.421 -13.523 1.00 0.00 H new ATOM 0 HA ASN A 44 10.680 -0.374 -13.155 1.00 0.00 H new ATOM 0 HB2 ASN A 44 12.299 1.983 -12.122 1.00 0.00 H new ATOM 0 HB3 ASN A 44 12.722 0.325 -11.742 1.00 0.00 H new ATOM 0 HD21 ASN A 44 14.827 0.653 -14.605 1.00 0.00 H new ATOM 0 HD22 ASN A 44 14.753 0.740 -12.842 1.00 0.00 H new ATOM 736 N VAL A 45 9.860 1.411 -10.504 1.00 0.00 N ATOM 737 CA VAL A 45 9.295 1.323 -9.163 1.00 0.00 C ATOM 738 C VAL A 45 7.985 0.542 -9.174 1.00 0.00 C ATOM 739 O VAL A 45 7.751 -0.310 -8.317 1.00 0.00 O ATOM 740 CB VAL A 45 9.044 2.721 -8.566 1.00 0.00 C ATOM 741 CG1 VAL A 45 8.575 2.612 -7.123 1.00 0.00 C ATOM 742 CG2 VAL A 45 10.297 3.578 -8.664 1.00 0.00 C ATOM 0 H VAL A 45 9.984 2.363 -10.848 1.00 0.00 H new ATOM 0 HA VAL A 45 10.023 0.800 -8.543 1.00 0.00 H new ATOM 0 HB VAL A 45 8.256 3.204 -9.143 1.00 0.00 H new ATOM 0 HG11 VAL A 45 8.403 3.610 -6.720 1.00 0.00 H new ATOM 0 HG12 VAL A 45 7.648 2.040 -7.084 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.337 2.107 -6.530 1.00 0.00 H new ATOM 0 HG21 VAL A 45 10.100 4.561 -8.237 1.00 0.00 H new ATOM 0 HG22 VAL A 45 11.108 3.100 -8.115 1.00 0.00 H new ATOM 0 HG23 VAL A 45 10.582 3.687 -9.710 1.00 0.00 H new ATOM 752 N LEU A 46 7.135 0.837 -10.151 1.00 0.00 N ATOM 753 CA LEU A 46 5.848 0.162 -10.276 1.00 0.00 C ATOM 754 C LEU A 46 6.045 -1.320 -10.581 1.00 0.00 C ATOM 755 O LEU A 46 5.332 -2.173 -10.053 1.00 0.00 O ATOM 756 CB LEU A 46 5.010 0.815 -11.377 1.00 0.00 C ATOM 757 CG LEU A 46 3.502 0.595 -11.259 1.00 0.00 C ATOM 758 CD1 LEU A 46 2.936 1.394 -10.095 1.00 0.00 C ATOM 759 CD2 LEU A 46 2.807 0.976 -12.558 1.00 0.00 C ATOM 0 H LEU A 46 7.314 1.539 -10.869 1.00 0.00 H new ATOM 0 HA LEU A 46 5.320 0.255 -9.327 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.207 1.887 -11.375 1.00 0.00 H new ATOM 0 HB3 LEU A 46 5.343 0.432 -12.342 1.00 0.00 H new ATOM 0 HG LEU A 46 3.321 -0.463 -11.069 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.861 1.225 -10.026 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.413 1.075 -9.168 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.127 2.455 -10.255 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.734 0.814 -12.458 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.996 2.027 -12.777 1.00 0.00 H new ATOM 0 HD23 LEU A 46 3.193 0.361 -13.371 1.00 0.00 H new ATOM 771 N VAL A 47 7.017 -1.617 -11.436 1.00 0.00 N ATOM 772 CA VAL A 47 7.311 -2.994 -11.813 1.00 0.00 C ATOM 773 C VAL A 47 7.931 -3.759 -10.648 1.00 0.00 C ATOM 774 O VAL A 47 7.476 -4.847 -10.295 1.00 0.00 O ATOM 775 CB VAL A 47 8.266 -3.054 -13.021 1.00 0.00 C ATOM 776 CG1 VAL A 47 8.477 -4.491 -13.472 1.00 0.00 C ATOM 777 CG2 VAL A 47 7.737 -2.201 -14.165 1.00 0.00 C ATOM 0 H VAL A 47 7.615 -0.921 -11.882 1.00 0.00 H new ATOM 0 HA VAL A 47 6.364 -3.458 -12.087 1.00 0.00 H new ATOM 0 HB VAL A 47 9.231 -2.652 -12.713 1.00 0.00 H new ATOM 0 HG11 VAL A 47 9.154 -4.509 -14.326 1.00 0.00 H new ATOM 0 HG12 VAL A 47 8.908 -5.069 -12.655 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.520 -4.926 -13.759 1.00 0.00 H new ATOM 0 HG21 VAL A 47 8.425 -2.256 -15.009 1.00 0.00 H new ATOM 0 HG22 VAL A 47 6.758 -2.569 -14.471 1.00 0.00 H new ATOM 0 HG23 VAL A 47 7.649 -1.166 -13.836 1.00 0.00 H new ATOM 787 N ALA A 48 8.971 -3.183 -10.055 1.00 0.00 N ATOM 788 CA ALA A 48 9.655 -3.809 -8.930 1.00 0.00 C ATOM 789 C ALA A 48 8.689 -4.085 -7.781 1.00 0.00 C ATOM 790 O ALA A 48 8.880 -5.024 -7.008 1.00 0.00 O ATOM 791 CB ALA A 48 10.803 -2.931 -8.457 1.00 0.00 C ATOM 0 H ALA A 48 9.359 -2.282 -10.335 1.00 0.00 H new ATOM 0 HA ALA A 48 10.057 -4.764 -9.268 1.00 0.00 H new ATOM 0 HB1 ALA A 48 11.305 -3.410 -7.617 1.00 0.00 H new ATOM 0 HB2 ALA A 48 11.513 -2.790 -9.272 1.00 0.00 H new ATOM 0 HB3 ALA A 48 10.415 -1.962 -8.143 1.00 0.00 H new ATOM 797 N GLU A 49 7.654 -3.259 -7.674 1.00 0.00 N ATOM 798 CA GLU A 49 6.659 -3.414 -6.618 1.00 0.00 C ATOM 799 C GLU A 49 5.620 -4.465 -6.996 1.00 0.00 C ATOM 800 O GLU A 49 5.412 -5.438 -6.271 1.00 0.00 O ATOM 801 CB GLU A 49 5.971 -2.075 -6.339 1.00 0.00 C ATOM 802 CG GLU A 49 6.506 -1.361 -5.107 1.00 0.00 C ATOM 803 CD GLU A 49 5.412 -1.001 -4.120 1.00 0.00 C ATOM 804 OE1 GLU A 49 4.252 -0.837 -4.553 1.00 0.00 O ATOM 805 OE2 GLU A 49 5.717 -0.885 -2.915 1.00 0.00 O ATOM 0 H GLU A 49 7.482 -2.476 -8.305 1.00 0.00 H new ATOM 0 HA GLU A 49 7.172 -3.748 -5.716 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.092 -1.426 -7.206 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.901 -2.244 -6.215 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.241 -1.997 -4.613 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.026 -0.454 -5.415 1.00 0.00 H new ATOM 812 N VAL A 50 4.966 -4.260 -8.135 1.00 0.00 N ATOM 813 CA VAL A 50 3.945 -5.187 -8.610 1.00 0.00 C ATOM 814 C VAL A 50 4.527 -6.576 -8.850 1.00 0.00 C ATOM 815 O VAL A 50 3.872 -7.586 -8.588 1.00 0.00 O ATOM 816 CB VAL A 50 3.289 -4.682 -9.909 1.00 0.00 C ATOM 817 CG1 VAL A 50 2.132 -5.584 -10.313 1.00 0.00 C ATOM 818 CG2 VAL A 50 2.821 -3.243 -9.749 1.00 0.00 C ATOM 0 H VAL A 50 5.125 -3.459 -8.747 1.00 0.00 H new ATOM 0 HA VAL A 50 3.187 -5.248 -7.829 1.00 0.00 H new ATOM 0 HB VAL A 50 4.035 -4.711 -10.703 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.683 -5.210 -11.233 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.500 -6.597 -10.475 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.383 -5.592 -9.521 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.361 -2.905 -10.677 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.092 -3.185 -8.940 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.674 -2.607 -9.515 1.00 0.00 H new ATOM 828 N THR A 51 5.756 -6.622 -9.352 1.00 0.00 N ATOM 829 CA THR A 51 6.421 -7.890 -9.629 1.00 0.00 C ATOM 830 C THR A 51 6.696 -8.654 -8.337 1.00 0.00 C ATOM 831 O THR A 51 6.384 -9.841 -8.228 1.00 0.00 O ATOM 832 CB THR A 51 7.729 -7.652 -10.384 1.00 0.00 C ATOM 833 OG1 THR A 51 7.489 -6.960 -11.597 1.00 0.00 O ATOM 834 CG2 THR A 51 8.466 -8.929 -10.724 1.00 0.00 C ATOM 0 H THR A 51 6.312 -5.796 -9.575 1.00 0.00 H new ATOM 0 HA THR A 51 5.757 -8.491 -10.251 1.00 0.00 H new ATOM 0 HB THR A 51 8.349 -7.063 -9.708 1.00 0.00 H new ATOM 0 HG1 THR A 51 7.202 -6.044 -11.400 1.00 0.00 H new ATOM 0 HG21 THR A 51 9.385 -8.688 -11.259 1.00 0.00 H new ATOM 0 HG22 THR A 51 8.710 -9.464 -9.806 1.00 0.00 H new ATOM 0 HG23 THR A 51 7.835 -9.557 -11.353 1.00 0.00 H new ATOM 842 N GLN A 52 7.281 -7.967 -7.362 1.00 0.00 N ATOM 843 CA GLN A 52 7.598 -8.583 -6.078 1.00 0.00 C ATOM 844 C GLN A 52 6.330 -8.835 -5.267 1.00 0.00 C ATOM 845 O GLN A 52 6.201 -9.863 -4.603 1.00 0.00 O ATOM 846 CB GLN A 52 8.558 -7.694 -5.284 1.00 0.00 C ATOM 847 CG GLN A 52 10.024 -8.005 -5.536 1.00 0.00 C ATOM 848 CD GLN A 52 10.908 -6.780 -5.419 1.00 0.00 C ATOM 849 OE1 GLN A 52 11.339 -6.413 -4.325 1.00 0.00 O ATOM 850 NE2 GLN A 52 11.184 -6.139 -6.548 1.00 0.00 N ATOM 0 H GLN A 52 7.545 -6.985 -7.436 1.00 0.00 H new ATOM 0 HA GLN A 52 8.079 -9.541 -6.273 1.00 0.00 H new ATOM 0 HB2 GLN A 52 8.368 -6.651 -5.537 1.00 0.00 H new ATOM 0 HB3 GLN A 52 8.349 -7.807 -4.220 1.00 0.00 H new ATOM 0 HG2 GLN A 52 10.359 -8.760 -4.824 1.00 0.00 H new ATOM 0 HG3 GLN A 52 10.135 -8.435 -6.532 1.00 0.00 H new ATOM 0 HE21 GLN A 52 10.806 -6.478 -7.433 1.00 0.00 H new ATOM 0 HE22 GLN A 52 11.774 -5.307 -6.531 1.00 0.00 H new ATOM 859 N GLN A 53 5.399 -7.889 -5.326 1.00 0.00 N ATOM 860 CA GLN A 53 4.141 -8.008 -4.597 1.00 0.00 C ATOM 861 C GLN A 53 3.376 -9.254 -5.032 1.00 0.00 C ATOM 862 O GLN A 53 2.812 -9.969 -4.205 1.00 0.00 O ATOM 863 CB GLN A 53 3.279 -6.763 -4.817 1.00 0.00 C ATOM 864 CG GLN A 53 3.594 -5.628 -3.855 1.00 0.00 C ATOM 865 CD GLN A 53 2.641 -4.459 -4.003 1.00 0.00 C ATOM 866 OE1 GLN A 53 1.424 -4.636 -4.050 1.00 0.00 O ATOM 867 NE2 GLN A 53 3.192 -3.253 -4.081 1.00 0.00 N ATOM 0 H GLN A 53 5.491 -7.032 -5.871 1.00 0.00 H new ATOM 0 HA GLN A 53 4.372 -8.098 -3.536 1.00 0.00 H new ATOM 0 HB2 GLN A 53 3.418 -6.411 -5.839 1.00 0.00 H new ATOM 0 HB3 GLN A 53 2.229 -7.035 -4.713 1.00 0.00 H new ATOM 0 HG2 GLN A 53 3.550 -6.001 -2.832 1.00 0.00 H new ATOM 0 HG3 GLN A 53 4.614 -5.284 -4.025 1.00 0.00 H new ATOM 0 HE21 GLN A 53 4.206 -3.152 -4.038 1.00 0.00 H new ATOM 0 HE22 GLN A 53 2.601 -2.428 -4.184 1.00 0.00 H new ATOM 876 N LEU A 54 3.362 -9.507 -6.336 1.00 0.00 N ATOM 877 CA LEU A 54 2.668 -10.667 -6.883 1.00 0.00 C ATOM 878 C LEU A 54 3.662 -11.734 -7.329 1.00 0.00 C ATOM 879 O LEU A 54 3.455 -12.407 -8.339 1.00 0.00 O ATOM 880 CB LEU A 54 1.785 -10.251 -8.061 1.00 0.00 C ATOM 881 CG LEU A 54 0.720 -9.203 -7.734 1.00 0.00 C ATOM 882 CD1 LEU A 54 0.348 -8.415 -8.979 1.00 0.00 C ATOM 883 CD2 LEU A 54 -0.509 -9.864 -7.131 1.00 0.00 C ATOM 0 H LEU A 54 3.824 -8.924 -7.034 1.00 0.00 H new ATOM 0 HA LEU A 54 2.039 -11.087 -6.098 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.424 -9.863 -8.854 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.290 -11.139 -8.456 1.00 0.00 H new ATOM 0 HG LEU A 54 1.131 -8.510 -7.000 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.411 -7.674 -8.727 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.233 -7.911 -9.368 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.045 -9.094 -9.736 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.257 -9.104 -6.904 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.923 -10.580 -7.842 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.230 -10.383 -6.214 1.00 0.00 H new ATOM 895 N LYS A 55 4.742 -11.883 -6.569 1.00 0.00 N ATOM 896 CA LYS A 55 5.769 -12.869 -6.885 1.00 0.00 C ATOM 897 C LYS A 55 5.533 -14.167 -6.119 1.00 0.00 C ATOM 898 O LYS A 55 5.851 -15.252 -6.603 1.00 0.00 O ATOM 899 CB LYS A 55 7.158 -12.310 -6.560 1.00 0.00 C ATOM 900 CG LYS A 55 8.050 -12.150 -7.782 1.00 0.00 C ATOM 901 CD LYS A 55 9.288 -13.028 -7.690 1.00 0.00 C ATOM 902 CE LYS A 55 10.519 -12.310 -8.221 1.00 0.00 C ATOM 903 NZ LYS A 55 11.721 -13.190 -8.214 1.00 0.00 N ATOM 0 H LYS A 55 4.929 -11.334 -5.730 1.00 0.00 H new ATOM 0 HA LYS A 55 5.714 -13.087 -7.952 1.00 0.00 H new ATOM 0 HB2 LYS A 55 7.046 -11.341 -6.073 1.00 0.00 H new ATOM 0 HB3 LYS A 55 7.649 -12.971 -5.846 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.487 -12.406 -8.680 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.350 -11.107 -7.880 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.454 -13.318 -6.652 1.00 0.00 H new ATOM 0 HD3 LYS A 55 9.128 -13.946 -8.256 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.328 -11.964 -9.237 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.713 -11.425 -7.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 12.539 -12.664 -8.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 11.919 -13.500 -7.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 11.546 -14.022 -8.813 1.00 0.00 H new ATOM 917 N ALA A 56 4.973 -14.046 -4.919 1.00 0.00 N ATOM 918 CA ALA A 56 4.695 -15.209 -4.087 1.00 0.00 C ATOM 919 C ALA A 56 3.619 -16.089 -4.715 1.00 0.00 C ATOM 920 O ALA A 56 3.618 -17.307 -4.540 1.00 0.00 O ATOM 921 CB ALA A 56 4.272 -14.771 -2.693 1.00 0.00 C ATOM 0 H ALA A 56 4.704 -13.155 -4.503 1.00 0.00 H new ATOM 0 HA ALA A 56 5.610 -15.797 -4.010 1.00 0.00 H new ATOM 0 HB1 ALA A 56 4.067 -15.650 -2.082 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.073 -14.190 -2.236 1.00 0.00 H new ATOM 0 HB3 ALA A 56 3.373 -14.159 -2.761 1.00 0.00 H new ATOM 927 N ARG A 57 2.704 -15.462 -5.449 1.00 0.00 N ATOM 928 CA ARG A 57 1.623 -16.188 -6.105 1.00 0.00 C ATOM 929 C ARG A 57 2.133 -16.926 -7.338 1.00 0.00 C ATOM 930 O ARG A 57 1.891 -18.122 -7.502 1.00 0.00 O ATOM 931 CB ARG A 57 0.502 -15.226 -6.500 1.00 0.00 C ATOM 932 CG ARG A 57 -0.223 -14.613 -5.312 1.00 0.00 C ATOM 933 CD ARG A 57 -0.692 -13.200 -5.616 1.00 0.00 C ATOM 934 NE ARG A 57 -1.466 -12.632 -4.515 1.00 0.00 N ATOM 935 CZ ARG A 57 -2.747 -12.915 -4.287 1.00 0.00 C ATOM 936 NH1 ARG A 57 -3.399 -13.760 -5.077 1.00 0.00 N ATOM 937 NH2 ARG A 57 -3.377 -12.354 -3.263 1.00 0.00 N ATOM 0 H ARG A 57 2.690 -14.454 -5.604 1.00 0.00 H new ATOM 0 HA ARG A 57 1.232 -16.922 -5.401 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.920 -14.426 -7.112 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -0.220 -15.758 -7.120 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -1.080 -15.233 -5.047 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.440 -14.599 -4.447 1.00 0.00 H new ATOM 0 HD2 ARG A 57 0.172 -12.566 -5.817 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -1.300 -13.206 -6.521 1.00 0.00 H new ATOM 0 HE ARG A 57 -0.998 -11.981 -3.884 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -2.919 -14.196 -5.864 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -4.380 -13.973 -4.897 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -2.880 -11.707 -2.651 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -4.358 -12.570 -3.088 1.00 0.00 H new ATOM 951 N PHE A 58 2.840 -16.206 -8.203 1.00 0.00 N ATOM 952 CA PHE A 58 3.384 -16.792 -9.422 1.00 0.00 C ATOM 953 C PHE A 58 4.341 -15.821 -10.110 1.00 0.00 C ATOM 954 O PHE A 58 4.798 -14.853 -9.503 1.00 0.00 O ATOM 955 CB PHE A 58 2.246 -17.184 -10.371 1.00 0.00 C ATOM 956 CG PHE A 58 1.511 -16.010 -10.952 1.00 0.00 C ATOM 957 CD1 PHE A 58 0.851 -15.112 -10.129 1.00 0.00 C ATOM 958 CD2 PHE A 58 1.481 -15.804 -12.322 1.00 0.00 C ATOM 959 CE1 PHE A 58 0.175 -14.031 -10.660 1.00 0.00 C ATOM 960 CE2 PHE A 58 0.805 -14.724 -12.859 1.00 0.00 C ATOM 961 CZ PHE A 58 0.151 -13.837 -12.028 1.00 0.00 C ATOM 0 H PHE A 58 3.050 -15.215 -8.082 1.00 0.00 H new ATOM 0 HA PHE A 58 3.944 -17.688 -9.154 1.00 0.00 H new ATOM 0 HB2 PHE A 58 2.654 -17.784 -11.184 1.00 0.00 H new ATOM 0 HB3 PHE A 58 1.538 -17.815 -9.833 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.865 -15.259 -9.059 1.00 0.00 H new ATOM 0 HD2 PHE A 58 1.991 -16.494 -12.977 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -0.334 -13.338 -10.007 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.789 -14.574 -13.928 1.00 0.00 H new ATOM 0 HZ PHE A 58 -0.378 -12.993 -12.446 1.00 0.00 H new ATOM 971 N LEU A 59 4.644 -16.086 -11.378 1.00 0.00 N ATOM 972 CA LEU A 59 5.549 -15.235 -12.144 1.00 0.00 C ATOM 973 C LEU A 59 4.767 -14.210 -12.968 1.00 0.00 C ATOM 974 O LEU A 59 4.187 -14.550 -13.999 1.00 0.00 O ATOM 975 CB LEU A 59 6.423 -16.089 -13.064 1.00 0.00 C ATOM 976 CG LEU A 59 7.361 -15.303 -13.982 1.00 0.00 C ATOM 977 CD1 LEU A 59 8.528 -14.735 -13.191 1.00 0.00 C ATOM 978 CD2 LEU A 59 7.862 -16.189 -15.113 1.00 0.00 C ATOM 0 H LEU A 59 4.276 -16.883 -11.897 1.00 0.00 H new ATOM 0 HA LEU A 59 6.187 -14.697 -11.443 1.00 0.00 H new ATOM 0 HB2 LEU A 59 7.021 -16.762 -12.449 1.00 0.00 H new ATOM 0 HB3 LEU A 59 5.775 -16.712 -13.680 1.00 0.00 H new ATOM 0 HG LEU A 59 6.804 -14.472 -14.416 1.00 0.00 H new ATOM 0 HD11 LEU A 59 9.185 -14.179 -13.860 1.00 0.00 H new ATOM 0 HD12 LEU A 59 8.152 -14.068 -12.415 1.00 0.00 H new ATOM 0 HD13 LEU A 59 9.086 -15.550 -12.730 1.00 0.00 H new ATOM 0 HD21 LEU A 59 8.528 -15.615 -15.757 1.00 0.00 H new ATOM 0 HD22 LEU A 59 8.403 -17.039 -14.697 1.00 0.00 H new ATOM 0 HD23 LEU A 59 7.014 -16.549 -15.696 1.00 0.00 H new ATOM 990 N PRO A 60 4.739 -12.940 -12.524 1.00 0.00 N ATOM 991 CA PRO A 60 4.021 -11.874 -13.230 1.00 0.00 C ATOM 992 C PRO A 60 4.758 -11.405 -14.480 1.00 0.00 C ATOM 993 O PRO A 60 4.150 -11.205 -15.532 1.00 0.00 O ATOM 994 CB PRO A 60 3.959 -10.752 -12.196 1.00 0.00 C ATOM 995 CG PRO A 60 5.172 -10.953 -11.356 1.00 0.00 C ATOM 996 CD PRO A 60 5.399 -12.440 -11.300 1.00 0.00 C ATOM 0 HA PRO A 60 3.045 -12.204 -13.585 1.00 0.00 H new ATOM 0 HB2 PRO A 60 3.964 -9.772 -12.673 1.00 0.00 H new ATOM 0 HB3 PRO A 60 3.049 -10.812 -11.600 1.00 0.00 H new ATOM 0 HG2 PRO A 60 6.034 -10.443 -11.787 1.00 0.00 H new ATOM 0 HG3 PRO A 60 5.026 -10.543 -10.357 1.00 0.00 H new ATOM 0 HD2 PRO A 60 6.462 -12.683 -11.290 1.00 0.00 H new ATOM 0 HD3 PRO A 60 4.963 -12.878 -10.402 1.00 0.00 H new ATOM 1004 N SER A 61 6.069 -11.231 -14.358 1.00 0.00 N ATOM 1005 CA SER A 61 6.890 -10.782 -15.478 1.00 0.00 C ATOM 1006 C SER A 61 6.474 -9.381 -15.929 1.00 0.00 C ATOM 1007 O SER A 61 5.334 -9.170 -16.341 1.00 0.00 O ATOM 1008 CB SER A 61 6.773 -11.762 -16.648 1.00 0.00 C ATOM 1009 OG SER A 61 7.158 -13.069 -16.259 1.00 0.00 O ATOM 0 H SER A 61 6.587 -11.394 -13.495 1.00 0.00 H new ATOM 0 HA SER A 61 7.927 -10.746 -15.146 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.746 -11.776 -17.014 1.00 0.00 H new ATOM 0 HB3 SER A 61 7.401 -11.425 -17.473 1.00 0.00 H new ATOM 0 HG SER A 61 7.073 -13.676 -17.023 1.00 0.00 H new ATOM 1015 N PRO A 62 7.394 -8.400 -15.859 1.00 0.00 N ATOM 1016 CA PRO A 62 7.106 -7.019 -16.265 1.00 0.00 C ATOM 1017 C PRO A 62 6.450 -6.939 -17.640 1.00 0.00 C ATOM 1018 O PRO A 62 5.727 -5.989 -17.939 1.00 0.00 O ATOM 1019 CB PRO A 62 8.487 -6.368 -16.297 1.00 0.00 C ATOM 1020 CG PRO A 62 9.291 -7.142 -15.312 1.00 0.00 C ATOM 1021 CD PRO A 62 8.782 -8.556 -15.381 1.00 0.00 C ATOM 0 HA PRO A 62 6.403 -6.534 -15.588 1.00 0.00 H new ATOM 0 HB2 PRO A 62 8.926 -6.418 -17.294 1.00 0.00 H new ATOM 0 HB3 PRO A 62 8.435 -5.314 -16.025 1.00 0.00 H new ATOM 0 HG2 PRO A 62 10.353 -7.097 -15.554 1.00 0.00 H new ATOM 0 HG3 PRO A 62 9.176 -6.734 -14.308 1.00 0.00 H new ATOM 0 HD2 PRO A 62 9.376 -9.163 -16.064 1.00 0.00 H new ATOM 0 HD3 PRO A 62 8.819 -9.044 -14.407 1.00 0.00 H new ATOM 1029 N VAL A 63 6.711 -7.942 -18.471 1.00 0.00 N ATOM 1030 CA VAL A 63 6.151 -7.995 -19.821 1.00 0.00 C ATOM 1031 C VAL A 63 4.664 -7.641 -19.827 1.00 0.00 C ATOM 1032 O VAL A 63 4.253 -6.666 -20.455 1.00 0.00 O ATOM 1033 CB VAL A 63 6.335 -9.389 -20.449 1.00 0.00 C ATOM 1034 CG1 VAL A 63 5.919 -9.378 -21.912 1.00 0.00 C ATOM 1035 CG2 VAL A 63 7.775 -9.856 -20.301 1.00 0.00 C ATOM 0 H VAL A 63 7.309 -8.734 -18.234 1.00 0.00 H new ATOM 0 HA VAL A 63 6.695 -7.258 -20.412 1.00 0.00 H new ATOM 0 HB VAL A 63 5.692 -10.092 -19.919 1.00 0.00 H new ATOM 0 HG11 VAL A 63 6.057 -10.372 -22.337 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.870 -9.092 -21.990 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.532 -8.662 -22.459 1.00 0.00 H new ATOM 0 HG21 VAL A 63 7.886 -10.843 -20.751 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.439 -9.152 -20.803 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.034 -9.908 -19.243 1.00 0.00 H new ATOM 1045 N VAL A 64 3.866 -8.438 -19.124 1.00 0.00 N ATOM 1046 CA VAL A 64 2.429 -8.206 -19.051 1.00 0.00 C ATOM 1047 C VAL A 64 2.120 -6.918 -18.294 1.00 0.00 C ATOM 1048 O VAL A 64 1.151 -6.223 -18.600 1.00 0.00 O ATOM 1049 CB VAL A 64 1.703 -9.381 -18.370 1.00 0.00 C ATOM 1050 CG1 VAL A 64 1.859 -10.652 -19.190 1.00 0.00 C ATOM 1051 CG2 VAL A 64 2.220 -9.583 -16.953 1.00 0.00 C ATOM 0 H VAL A 64 4.190 -9.249 -18.597 1.00 0.00 H new ATOM 0 HA VAL A 64 2.069 -8.116 -20.076 1.00 0.00 H new ATOM 0 HB VAL A 64 0.641 -9.142 -18.311 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.340 -11.471 -18.693 1.00 0.00 H new ATOM 0 HG12 VAL A 64 1.433 -10.500 -20.182 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.917 -10.897 -19.284 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.694 -10.418 -16.489 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.288 -9.798 -16.983 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.048 -8.678 -16.371 1.00 0.00 H new ATOM 1061 N ILE A 65 2.952 -6.605 -17.307 1.00 0.00 N ATOM 1062 CA ILE A 65 2.772 -5.400 -16.505 1.00 0.00 C ATOM 1063 C ILE A 65 2.839 -4.148 -17.378 1.00 0.00 C ATOM 1064 O ILE A 65 1.946 -3.303 -17.334 1.00 0.00 O ATOM 1065 CB ILE A 65 3.837 -5.312 -15.388 1.00 0.00 C ATOM 1066 CG1 ILE A 65 3.613 -6.421 -14.358 1.00 0.00 C ATOM 1067 CG2 ILE A 65 3.806 -3.947 -14.713 1.00 0.00 C ATOM 1068 CD1 ILE A 65 4.885 -6.892 -13.689 1.00 0.00 C ATOM 0 H ILE A 65 3.759 -7.170 -17.043 1.00 0.00 H new ATOM 0 HA ILE A 65 1.785 -5.458 -16.046 1.00 0.00 H new ATOM 0 HB ILE A 65 4.820 -5.443 -15.840 1.00 0.00 H new ATOM 0 HG12 ILE A 65 2.922 -6.062 -13.595 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.135 -7.269 -14.848 1.00 0.00 H new ATOM 0 HG21 ILE A 65 4.564 -3.910 -13.931 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.009 -3.171 -15.451 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.823 -3.781 -14.273 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.649 -7.678 -12.972 1.00 0.00 H new ATOM 0 HD12 ILE A 65 5.570 -7.281 -14.442 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.354 -6.056 -13.170 1.00 0.00 H new ATOM 1080 N LYS A 66 3.902 -4.037 -18.168 1.00 0.00 N ATOM 1081 CA LYS A 66 4.084 -2.888 -19.050 1.00 0.00 C ATOM 1082 C LYS A 66 2.855 -2.668 -19.926 1.00 0.00 C ATOM 1083 O LYS A 66 2.417 -1.536 -20.126 1.00 0.00 O ATOM 1084 CB LYS A 66 5.320 -3.087 -19.929 1.00 0.00 C ATOM 1085 CG LYS A 66 6.618 -3.164 -19.143 1.00 0.00 C ATOM 1086 CD LYS A 66 7.800 -3.461 -20.049 1.00 0.00 C ATOM 1087 CE LYS A 66 7.866 -4.936 -20.414 1.00 0.00 C ATOM 1088 NZ LYS A 66 9.268 -5.435 -20.461 1.00 0.00 N ATOM 0 H LYS A 66 4.651 -4.728 -18.216 1.00 0.00 H new ATOM 0 HA LYS A 66 4.224 -2.004 -18.427 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.200 -4.003 -20.508 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.385 -2.265 -20.642 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.785 -2.221 -18.622 1.00 0.00 H new ATOM 0 HG3 LYS A 66 6.538 -3.940 -18.381 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.723 -2.863 -20.957 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.724 -3.167 -19.552 1.00 0.00 H new ATOM 0 HE2 LYS A 66 7.299 -5.516 -19.686 1.00 0.00 H new ATOM 0 HE3 LYS A 66 7.393 -5.091 -21.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 9.269 -6.444 -20.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 9.803 -4.899 -21.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 9.712 -5.311 -19.529 1.00 0.00 H new ATOM 1102 N LYS A 67 2.302 -3.760 -20.444 1.00 0.00 N ATOM 1103 CA LYS A 67 1.123 -3.688 -21.298 1.00 0.00 C ATOM 1104 C LYS A 67 -0.107 -3.277 -20.494 1.00 0.00 C ATOM 1105 O LYS A 67 -0.978 -2.564 -20.993 1.00 0.00 O ATOM 1106 CB LYS A 67 0.876 -5.037 -21.976 1.00 0.00 C ATOM 1107 CG LYS A 67 -0.198 -4.990 -23.052 1.00 0.00 C ATOM 1108 CD LYS A 67 -0.288 -6.307 -23.805 1.00 0.00 C ATOM 1109 CE LYS A 67 0.826 -6.441 -24.831 1.00 0.00 C ATOM 1110 NZ LYS A 67 0.454 -5.833 -26.139 1.00 0.00 N ATOM 0 H LYS A 67 2.652 -4.705 -20.287 1.00 0.00 H new ATOM 0 HA LYS A 67 1.304 -2.932 -22.062 1.00 0.00 H new ATOM 0 HB2 LYS A 67 1.808 -5.387 -22.420 1.00 0.00 H new ATOM 0 HB3 LYS A 67 0.589 -5.767 -21.219 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -1.162 -4.763 -22.596 1.00 0.00 H new ATOM 0 HG3 LYS A 67 0.021 -4.184 -23.752 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -0.235 -7.135 -23.099 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -1.254 -6.376 -24.305 1.00 0.00 H new ATOM 0 HE2 LYS A 67 1.728 -5.962 -24.452 1.00 0.00 H new ATOM 0 HE3 LYS A 67 1.062 -7.495 -24.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 1.240 -5.946 -26.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -0.392 -6.307 -26.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 0.254 -4.821 -26.007 1.00 0.00 H new ATOM 1124 N ARG A 68 -0.172 -3.732 -19.246 1.00 0.00 N ATOM 1125 CA ARG A 68 -1.295 -3.412 -18.373 1.00 0.00 C ATOM 1126 C ARG A 68 -1.346 -1.917 -18.074 1.00 0.00 C ATOM 1127 O ARG A 68 -2.421 -1.319 -18.029 1.00 0.00 O ATOM 1128 CB ARG A 68 -1.194 -4.206 -17.067 1.00 0.00 C ATOM 1129 CG ARG A 68 -2.240 -5.301 -16.938 1.00 0.00 C ATOM 1130 CD ARG A 68 -1.936 -6.474 -17.857 1.00 0.00 C ATOM 1131 NE ARG A 68 -2.289 -6.189 -19.245 1.00 0.00 N ATOM 1132 CZ ARG A 68 -3.530 -6.257 -19.725 1.00 0.00 C ATOM 1133 NH1 ARG A 68 -4.538 -6.596 -18.930 1.00 0.00 N ATOM 1134 NH2 ARG A 68 -3.763 -5.983 -21.002 1.00 0.00 N ATOM 0 H ARG A 68 0.540 -4.323 -18.817 1.00 0.00 H new ATOM 0 HA ARG A 68 -2.215 -3.689 -18.888 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.202 -4.653 -16.999 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -1.293 -3.520 -16.226 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -2.280 -5.647 -15.905 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -3.223 -4.896 -17.177 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -0.875 -6.717 -17.796 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -2.484 -7.352 -17.517 1.00 0.00 H new ATOM 0 HE ARG A 68 -1.541 -5.922 -19.885 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -4.364 -6.806 -17.947 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -5.486 -6.647 -19.302 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -2.992 -5.720 -21.616 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -4.713 -6.035 -21.370 1.00 0.00 H new ATOM 1148 N ILE A 69 -0.177 -1.317 -17.870 1.00 0.00 N ATOM 1149 CA ILE A 69 -0.091 0.109 -17.575 1.00 0.00 C ATOM 1150 C ILE A 69 -0.568 0.943 -18.761 1.00 0.00 C ATOM 1151 O ILE A 69 -1.317 1.904 -18.594 1.00 0.00 O ATOM 1152 CB ILE A 69 1.349 0.524 -17.208 1.00 0.00 C ATOM 1153 CG1 ILE A 69 1.875 -0.337 -16.057 1.00 0.00 C ATOM 1154 CG2 ILE A 69 1.406 2.001 -16.839 1.00 0.00 C ATOM 1155 CD1 ILE A 69 3.367 -0.209 -15.838 1.00 0.00 C ATOM 0 H ILE A 69 0.723 -1.796 -17.904 1.00 0.00 H new ATOM 0 HA ILE A 69 -0.740 0.296 -16.719 1.00 0.00 H new ATOM 0 HB ILE A 69 1.985 0.365 -18.079 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.356 -0.059 -15.140 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.634 -1.381 -16.256 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.430 2.273 -16.584 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.072 2.601 -17.686 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.757 2.188 -15.983 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.669 -0.847 -15.007 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.895 -0.515 -16.741 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.613 0.828 -15.608 1.00 0.00 H new ATOM 1167 N GLU A 70 -0.128 0.567 -19.959 1.00 0.00 N ATOM 1168 CA GLU A 70 -0.510 1.281 -21.173 1.00 0.00 C ATOM 1169 C GLU A 70 -2.028 1.337 -21.316 1.00 0.00 C ATOM 1170 O GLU A 70 -2.578 2.310 -21.833 1.00 0.00 O ATOM 1171 CB GLU A 70 0.108 0.606 -22.398 1.00 0.00 C ATOM 1172 CG GLU A 70 -0.260 1.275 -23.713 1.00 0.00 C ATOM 1173 CD GLU A 70 0.901 1.322 -24.687 1.00 0.00 C ATOM 1174 OE1 GLU A 70 1.761 0.418 -24.631 1.00 0.00 O ATOM 1175 OE2 GLU A 70 0.950 2.264 -25.506 1.00 0.00 O ATOM 0 H GLU A 70 0.493 -0.227 -20.115 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.134 2.302 -21.101 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.193 0.604 -22.292 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -0.211 -0.436 -22.428 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.091 0.738 -24.170 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.606 2.290 -23.516 1.00 0.00 H new ATOM 1182 N GLY A 71 -2.700 0.289 -20.852 1.00 0.00 N ATOM 1183 CA GLY A 71 -4.147 0.240 -20.936 1.00 0.00 C ATOM 1184 C GLY A 71 -4.818 1.058 -19.848 1.00 0.00 C ATOM 1185 O GLY A 71 -5.889 1.626 -20.062 1.00 0.00 O ATOM 0 H GLY A 71 -2.268 -0.527 -20.419 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -4.464 0.608 -21.912 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -4.477 -0.796 -20.864 1.00 0.00 H new ATOM 1189 N LEU A 72 -4.187 1.116 -18.680 1.00 0.00 N ATOM 1190 CA LEU A 72 -4.728 1.869 -17.555 1.00 0.00 C ATOM 1191 C LEU A 72 -4.788 3.359 -17.876 1.00 0.00 C ATOM 1192 O LEU A 72 -5.783 4.025 -17.592 1.00 0.00 O ATOM 1193 CB LEU A 72 -3.879 1.637 -16.303 1.00 0.00 C ATOM 1194 CG LEU A 72 -3.936 0.218 -15.737 1.00 0.00 C ATOM 1195 CD1 LEU A 72 -2.742 -0.046 -14.833 1.00 0.00 C ATOM 1196 CD2 LEU A 72 -5.238 -0.001 -14.980 1.00 0.00 C ATOM 0 H LEU A 72 -3.300 0.650 -18.488 1.00 0.00 H new ATOM 0 HA LEU A 72 -5.742 1.516 -17.367 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.842 1.878 -16.536 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -4.202 2.334 -15.529 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.898 -0.486 -16.569 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.801 -1.061 -14.440 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.821 0.069 -15.404 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.748 0.664 -14.006 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.262 -1.016 -14.584 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.305 0.711 -14.158 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.081 0.145 -15.656 1.00 0.00 H new ATOM 1208 N ILE A 73 -3.718 3.877 -18.471 1.00 0.00 N ATOM 1209 CA ILE A 73 -3.655 5.288 -18.831 1.00 0.00 C ATOM 1210 C ILE A 73 -4.777 5.656 -19.796 1.00 0.00 C ATOM 1211 O ILE A 73 -5.358 6.737 -19.708 1.00 0.00 O ATOM 1212 CB ILE A 73 -2.299 5.649 -19.471 1.00 0.00 C ATOM 1213 CG1 ILE A 73 -1.148 5.191 -18.572 1.00 0.00 C ATOM 1214 CG2 ILE A 73 -2.216 7.147 -19.732 1.00 0.00 C ATOM 1215 CD1 ILE A 73 0.222 5.531 -19.118 1.00 0.00 C ATOM 0 H ILE A 73 -2.884 3.341 -18.713 1.00 0.00 H new ATOM 0 HA ILE A 73 -3.771 5.856 -17.908 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.215 5.131 -20.426 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.262 5.649 -17.589 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.216 4.112 -18.431 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.253 7.385 -20.184 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.017 7.443 -20.409 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.318 7.687 -18.790 1.00 0.00 H new ATOM 0 HD11 ILE A 73 0.987 5.176 -18.428 1.00 0.00 H new ATOM 0 HD12 ILE A 73 0.357 5.051 -20.087 1.00 0.00 H new ATOM 0 HD13 ILE A 73 0.310 6.611 -19.233 1.00 0.00 H new ATOM 1227 N GLU A 74 -5.078 4.746 -20.718 1.00 0.00 N ATOM 1228 CA GLU A 74 -6.132 4.972 -21.701 1.00 0.00 C ATOM 1229 C GLU A 74 -7.515 4.884 -21.057 1.00 0.00 C ATOM 1230 O GLU A 74 -8.499 5.367 -21.616 1.00 0.00 O ATOM 1231 CB GLU A 74 -6.022 3.955 -22.838 1.00 0.00 C ATOM 1232 CG GLU A 74 -6.942 4.253 -24.010 1.00 0.00 C ATOM 1233 CD GLU A 74 -6.668 3.362 -25.206 1.00 0.00 C ATOM 1234 OE1 GLU A 74 -5.809 3.727 -26.036 1.00 0.00 O ATOM 1235 OE2 GLU A 74 -7.314 2.297 -25.313 1.00 0.00 O ATOM 0 H GLU A 74 -4.607 3.845 -20.805 1.00 0.00 H new ATOM 0 HA GLU A 74 -6.005 5.977 -22.104 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -4.992 3.929 -23.193 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -6.251 2.962 -22.450 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -7.978 4.125 -23.696 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -6.824 5.296 -24.304 1.00 0.00 H new ATOM 1242 N ARG A 75 -7.585 4.265 -19.881 1.00 0.00 N ATOM 1243 CA ARG A 75 -8.851 4.118 -19.171 1.00 0.00 C ATOM 1244 C ARG A 75 -9.057 5.248 -18.164 1.00 0.00 C ATOM 1245 O ARG A 75 -9.823 5.107 -17.211 1.00 0.00 O ATOM 1246 CB ARG A 75 -8.901 2.767 -18.454 1.00 0.00 C ATOM 1247 CG ARG A 75 -9.493 1.652 -19.300 1.00 0.00 C ATOM 1248 CD ARG A 75 -8.754 0.340 -19.090 1.00 0.00 C ATOM 1249 NE ARG A 75 -9.389 -0.765 -19.806 1.00 0.00 N ATOM 1250 CZ ARG A 75 -10.471 -1.406 -19.369 1.00 0.00 C ATOM 1251 NH1 ARG A 75 -11.043 -1.055 -18.223 1.00 0.00 N ATOM 1252 NH2 ARG A 75 -10.983 -2.401 -20.080 1.00 0.00 N ATOM 0 H ARG A 75 -6.782 3.858 -19.401 1.00 0.00 H new ATOM 0 HA ARG A 75 -9.654 4.167 -19.906 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -7.891 2.487 -18.153 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -9.488 2.871 -17.542 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -10.545 1.522 -19.048 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -9.450 1.931 -20.353 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -7.723 0.446 -19.427 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -8.719 0.110 -18.025 1.00 0.00 H new ATOM 0 HE ARG A 75 -8.979 -1.062 -20.692 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -10.654 -0.290 -17.672 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -11.872 -1.550 -17.894 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -10.548 -2.675 -20.961 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -11.812 -2.893 -19.746 1.00 0.00 H new ATOM 1266 N GLU A 76 -8.374 6.369 -18.382 1.00 0.00 N ATOM 1267 CA GLU A 76 -8.489 7.519 -17.493 1.00 0.00 C ATOM 1268 C GLU A 76 -8.132 7.145 -16.057 1.00 0.00 C ATOM 1269 O GLU A 76 -8.629 7.750 -15.106 1.00 0.00 O ATOM 1270 CB GLU A 76 -9.909 8.087 -17.544 1.00 0.00 C ATOM 1271 CG GLU A 76 -10.008 9.521 -17.049 1.00 0.00 C ATOM 1272 CD GLU A 76 -9.482 10.523 -18.058 1.00 0.00 C ATOM 1273 OE1 GLU A 76 -8.498 10.201 -18.757 1.00 0.00 O ATOM 1274 OE2 GLU A 76 -10.054 11.629 -18.149 1.00 0.00 O ATOM 0 H GLU A 76 -7.736 6.504 -19.166 1.00 0.00 H new ATOM 0 HA GLU A 76 -7.785 8.278 -17.834 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -10.274 8.039 -18.570 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -10.565 7.458 -16.943 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -11.049 9.752 -16.821 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -9.449 9.620 -16.119 1.00 0.00 H new ATOM 1281 N TYR A 77 -7.266 6.148 -15.905 1.00 0.00 N ATOM 1282 CA TYR A 77 -6.842 5.700 -14.584 1.00 0.00 C ATOM 1283 C TYR A 77 -5.476 6.277 -14.230 1.00 0.00 C ATOM 1284 O TYR A 77 -5.309 6.909 -13.187 1.00 0.00 O ATOM 1285 CB TYR A 77 -6.798 4.173 -14.528 1.00 0.00 C ATOM 1286 CG TYR A 77 -8.125 3.541 -14.169 1.00 0.00 C ATOM 1287 CD1 TYR A 77 -8.889 4.035 -13.120 1.00 0.00 C ATOM 1288 CD2 TYR A 77 -8.612 2.451 -14.879 1.00 0.00 C ATOM 1289 CE1 TYR A 77 -10.102 3.461 -12.788 1.00 0.00 C ATOM 1290 CE2 TYR A 77 -9.823 1.872 -14.555 1.00 0.00 C ATOM 1291 CZ TYR A 77 -10.564 2.380 -13.509 1.00 0.00 C ATOM 1292 OH TYR A 77 -11.771 1.805 -13.183 1.00 0.00 O ATOM 0 H TYR A 77 -6.845 5.636 -16.680 1.00 0.00 H new ATOM 0 HA TYR A 77 -7.568 6.059 -13.854 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -6.474 3.792 -15.496 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -6.050 3.866 -13.797 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -8.530 4.882 -12.554 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -8.034 2.050 -15.698 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -10.684 3.857 -11.969 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -10.188 1.026 -15.118 1.00 0.00 H new ATOM 0 HH TYR A 77 -11.950 1.056 -13.788 1.00 0.00 H new ATOM 1302 N LEU A 78 -4.502 6.055 -15.106 1.00 0.00 N ATOM 1303 CA LEU A 78 -3.149 6.555 -14.888 1.00 0.00 C ATOM 1304 C LEU A 78 -2.759 7.553 -15.974 1.00 0.00 C ATOM 1305 O LEU A 78 -3.543 7.837 -16.879 1.00 0.00 O ATOM 1306 CB LEU A 78 -2.151 5.396 -14.863 1.00 0.00 C ATOM 1307 CG LEU A 78 -2.558 4.210 -13.986 1.00 0.00 C ATOM 1308 CD1 LEU A 78 -1.455 3.163 -13.960 1.00 0.00 C ATOM 1309 CD2 LEU A 78 -2.886 4.676 -12.576 1.00 0.00 C ATOM 0 H LEU A 78 -4.624 5.532 -15.973 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.127 7.064 -13.924 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -2.004 5.041 -15.883 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.189 5.772 -14.515 1.00 0.00 H new ATOM 0 HG LEU A 78 -3.452 3.757 -14.414 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.762 2.327 -13.332 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.268 2.806 -14.973 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.544 3.605 -13.557 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.173 3.819 -11.967 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.010 5.155 -12.138 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.710 5.389 -12.611 1.00 0.00 H new ATOM 1321 N ALA A 79 -1.545 8.084 -15.875 1.00 0.00 N ATOM 1322 CA ALA A 79 -1.055 9.051 -16.850 1.00 0.00 C ATOM 1323 C ALA A 79 0.469 9.089 -16.870 1.00 0.00 C ATOM 1324 O ALA A 79 1.129 8.286 -16.211 1.00 0.00 O ATOM 1325 CB ALA A 79 -1.615 10.433 -16.549 1.00 0.00 C ATOM 0 H ALA A 79 -0.884 7.862 -15.131 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.397 8.739 -17.837 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.241 11.145 -17.285 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -2.704 10.402 -16.594 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.302 10.743 -15.552 1.00 0.00 H new ATOM 1331 N ARG A 80 1.022 10.028 -17.632 1.00 0.00 N ATOM 1332 CA ARG A 80 2.469 10.174 -17.740 1.00 0.00 C ATOM 1333 C ARG A 80 2.899 11.594 -17.385 1.00 0.00 C ATOM 1334 O ARG A 80 2.153 12.550 -17.599 1.00 0.00 O ATOM 1335 CB ARG A 80 2.931 9.832 -19.158 1.00 0.00 C ATOM 1336 CG ARG A 80 3.245 8.358 -19.359 1.00 0.00 C ATOM 1337 CD ARG A 80 3.987 8.123 -20.666 1.00 0.00 C ATOM 1338 NE ARG A 80 3.077 7.809 -21.765 1.00 0.00 N ATOM 1339 CZ ARG A 80 2.667 6.578 -22.065 1.00 0.00 C ATOM 1340 NH1 ARG A 80 3.075 5.538 -21.347 1.00 0.00 N ATOM 1341 NH2 ARG A 80 1.843 6.385 -23.086 1.00 0.00 N ATOM 0 H ARG A 80 0.489 10.700 -18.184 1.00 0.00 H new ATOM 0 HA ARG A 80 2.933 9.484 -17.035 1.00 0.00 H new ATOM 0 HB2 ARG A 80 2.156 10.129 -19.865 1.00 0.00 H new ATOM 0 HB3 ARG A 80 3.819 10.419 -19.393 1.00 0.00 H new ATOM 0 HG2 ARG A 80 3.848 7.996 -18.526 1.00 0.00 H new ATOM 0 HG3 ARG A 80 2.319 7.783 -19.356 1.00 0.00 H new ATOM 0 HD2 ARG A 80 4.567 9.011 -20.918 1.00 0.00 H new ATOM 0 HD3 ARG A 80 4.696 7.305 -20.538 1.00 0.00 H new ATOM 0 HE ARG A 80 2.735 8.580 -22.338 1.00 0.00 H new ATOM 0 HH11 ARG A 80 3.707 5.679 -20.559 1.00 0.00 H new ATOM 0 HH12 ARG A 80 2.756 4.598 -21.584 1.00 0.00 H new ATOM 0 HH21 ARG A 80 1.524 7.179 -23.641 1.00 0.00 H new ATOM 0 HH22 ARG A 80 1.529 5.442 -23.316 1.00 0.00 H new ATOM 1355 N THR A 81 4.105 11.726 -16.843 1.00 0.00 N ATOM 1356 CA THR A 81 4.632 13.031 -16.462 1.00 0.00 C ATOM 1357 C THR A 81 5.197 13.766 -17.675 1.00 0.00 C ATOM 1358 O THR A 81 5.616 13.141 -18.649 1.00 0.00 O ATOM 1359 CB THR A 81 5.715 12.877 -15.395 1.00 0.00 C ATOM 1360 OG1 THR A 81 6.861 12.242 -15.932 1.00 0.00 O ATOM 1361 CG2 THR A 81 5.263 12.071 -14.195 1.00 0.00 C ATOM 0 H THR A 81 4.735 10.946 -16.658 1.00 0.00 H new ATOM 0 HA THR A 81 3.811 13.620 -16.053 1.00 0.00 H new ATOM 0 HB THR A 81 5.943 13.891 -15.066 1.00 0.00 H new ATOM 0 HG1 THR A 81 6.591 11.633 -16.651 1.00 0.00 H new ATOM 0 HG21 THR A 81 6.079 12.000 -13.476 1.00 0.00 H new ATOM 0 HG22 THR A 81 4.409 12.562 -13.728 1.00 0.00 H new ATOM 0 HG23 THR A 81 4.975 11.070 -14.517 1.00 0.00 H new ATOM 1369 N PRO A 82 5.216 15.110 -17.630 1.00 0.00 N ATOM 1370 CA PRO A 82 5.734 15.929 -18.732 1.00 0.00 C ATOM 1371 C PRO A 82 7.243 15.781 -18.903 1.00 0.00 C ATOM 1372 O PRO A 82 7.773 15.953 -20.001 1.00 0.00 O ATOM 1373 CB PRO A 82 5.381 17.358 -18.312 1.00 0.00 C ATOM 1374 CG PRO A 82 5.268 17.302 -16.828 1.00 0.00 C ATOM 1375 CD PRO A 82 4.737 15.934 -16.506 1.00 0.00 C ATOM 0 HA PRO A 82 5.308 15.636 -19.692 1.00 0.00 H new ATOM 0 HB2 PRO A 82 6.151 18.063 -18.624 1.00 0.00 H new ATOM 0 HB3 PRO A 82 4.446 17.685 -18.768 1.00 0.00 H new ATOM 0 HG2 PRO A 82 6.237 17.466 -16.356 1.00 0.00 H new ATOM 0 HG3 PRO A 82 4.598 18.078 -16.458 1.00 0.00 H new ATOM 0 HD2 PRO A 82 5.116 15.570 -15.551 1.00 0.00 H new ATOM 0 HD3 PRO A 82 3.649 15.930 -16.440 1.00 0.00 H new ATOM 1383 N GLU A 83 7.929 15.461 -17.811 1.00 0.00 N ATOM 1384 CA GLU A 83 9.377 15.290 -17.841 1.00 0.00 C ATOM 1385 C GLU A 83 9.757 14.008 -18.574 1.00 0.00 C ATOM 1386 O GLU A 83 10.335 14.051 -19.659 1.00 0.00 O ATOM 1387 CB GLU A 83 9.938 15.264 -16.417 1.00 0.00 C ATOM 1388 CG GLU A 83 10.315 16.638 -15.888 1.00 0.00 C ATOM 1389 CD GLU A 83 11.134 16.564 -14.613 1.00 0.00 C ATOM 1390 OE1 GLU A 83 11.949 15.627 -14.484 1.00 0.00 O ATOM 1391 OE2 GLU A 83 10.959 17.445 -13.745 1.00 0.00 O ATOM 0 H GLU A 83 7.506 15.315 -16.894 1.00 0.00 H new ATOM 0 HA GLU A 83 9.808 16.135 -18.378 1.00 0.00 H new ATOM 0 HB2 GLU A 83 9.199 14.818 -15.752 1.00 0.00 H new ATOM 0 HB3 GLU A 83 10.817 14.621 -16.393 1.00 0.00 H new ATOM 0 HG2 GLU A 83 10.881 17.174 -16.649 1.00 0.00 H new ATOM 0 HG3 GLU A 83 9.408 17.213 -15.701 1.00 0.00 H new ATOM 1398 N ASP A 84 9.431 12.870 -17.972 1.00 0.00 N ATOM 1399 CA ASP A 84 9.740 11.574 -18.568 1.00 0.00 C ATOM 1400 C ASP A 84 8.497 10.689 -18.624 1.00 0.00 C ATOM 1401 O ASP A 84 7.668 10.708 -17.715 1.00 0.00 O ATOM 1402 CB ASP A 84 10.845 10.876 -17.774 1.00 0.00 C ATOM 1403 CG ASP A 84 11.929 10.310 -18.669 1.00 0.00 C ATOM 1404 OD1 ASP A 84 12.368 11.025 -19.595 1.00 0.00 O ATOM 1405 OD2 ASP A 84 12.341 9.152 -18.444 1.00 0.00 O ATOM 0 H ASP A 84 8.953 12.818 -17.072 1.00 0.00 H new ATOM 0 HA ASP A 84 10.087 11.743 -19.587 1.00 0.00 H new ATOM 0 HB2 ASP A 84 11.288 11.584 -17.074 1.00 0.00 H new ATOM 0 HB3 ASP A 84 10.410 10.071 -17.181 1.00 0.00 H new ATOM 1410 N ARG A 85 8.377 9.916 -19.698 1.00 0.00 N ATOM 1411 CA ARG A 85 7.236 9.024 -19.875 1.00 0.00 C ATOM 1412 C ARG A 85 7.304 7.850 -18.903 1.00 0.00 C ATOM 1413 O ARG A 85 6.280 7.264 -18.552 1.00 0.00 O ATOM 1414 CB ARG A 85 7.186 8.507 -21.313 1.00 0.00 C ATOM 1415 CG ARG A 85 8.504 7.917 -21.793 1.00 0.00 C ATOM 1416 CD ARG A 85 8.349 6.462 -22.207 1.00 0.00 C ATOM 1417 NE ARG A 85 9.466 6.005 -23.032 1.00 0.00 N ATOM 1418 CZ ARG A 85 9.586 6.272 -24.330 1.00 0.00 C ATOM 1419 NH1 ARG A 85 8.663 6.994 -24.955 1.00 0.00 N ATOM 1420 NH2 ARG A 85 10.632 5.818 -25.007 1.00 0.00 N ATOM 0 H ARG A 85 9.055 9.889 -20.459 1.00 0.00 H new ATOM 0 HA ARG A 85 6.329 9.591 -19.667 1.00 0.00 H new ATOM 0 HB2 ARG A 85 6.408 7.748 -21.391 1.00 0.00 H new ATOM 0 HB3 ARG A 85 6.901 9.325 -21.975 1.00 0.00 H new ATOM 0 HG2 ARG A 85 8.877 8.498 -22.636 1.00 0.00 H new ATOM 0 HG3 ARG A 85 9.247 7.993 -21.000 1.00 0.00 H new ATOM 0 HD2 ARG A 85 8.277 5.838 -21.317 1.00 0.00 H new ATOM 0 HD3 ARG A 85 7.417 6.339 -22.759 1.00 0.00 H new ATOM 0 HE ARG A 85 10.196 5.449 -22.587 1.00 0.00 H new ATOM 0 HH11 ARG A 85 7.857 7.347 -24.440 1.00 0.00 H new ATOM 0 HH12 ARG A 85 8.761 7.195 -25.950 1.00 0.00 H new ATOM 0 HH21 ARG A 85 11.345 5.264 -24.533 1.00 0.00 H new ATOM 0 HH22 ARG A 85 10.724 6.023 -26.002 1.00 0.00 H new ATOM 1434 N LYS A 86 8.515 7.509 -18.472 1.00 0.00 N ATOM 1435 CA LYS A 86 8.714 6.403 -17.542 1.00 0.00 C ATOM 1436 C LYS A 86 7.910 6.612 -16.262 1.00 0.00 C ATOM 1437 O LYS A 86 7.485 5.649 -15.621 1.00 0.00 O ATOM 1438 CB LYS A 86 10.199 6.252 -17.208 1.00 0.00 C ATOM 1439 CG LYS A 86 10.926 5.262 -18.106 1.00 0.00 C ATOM 1440 CD LYS A 86 12.178 5.872 -18.717 1.00 0.00 C ATOM 1441 CE LYS A 86 13.424 5.483 -17.938 1.00 0.00 C ATOM 1442 NZ LYS A 86 14.658 5.623 -18.761 1.00 0.00 N ATOM 0 H LYS A 86 9.373 7.983 -18.752 1.00 0.00 H new ATOM 0 HA LYS A 86 8.362 5.490 -18.023 1.00 0.00 H new ATOM 0 HB2 LYS A 86 10.682 7.226 -17.288 1.00 0.00 H new ATOM 0 HB3 LYS A 86 10.299 5.931 -16.171 1.00 0.00 H new ATOM 0 HG2 LYS A 86 11.196 4.378 -17.529 1.00 0.00 H new ATOM 0 HG3 LYS A 86 10.257 4.932 -18.901 1.00 0.00 H new ATOM 0 HD2 LYS A 86 12.277 5.543 -19.751 1.00 0.00 H new ATOM 0 HD3 LYS A 86 12.083 6.958 -18.736 1.00 0.00 H new ATOM 0 HE2 LYS A 86 13.507 6.109 -17.049 1.00 0.00 H new ATOM 0 HE3 LYS A 86 13.331 4.453 -17.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 15.486 5.348 -18.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 14.590 5.007 -19.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 14.761 6.612 -19.067 1.00 0.00 H new ATOM 1456 N VAL A 87 7.705 7.872 -15.893 1.00 0.00 N ATOM 1457 CA VAL A 87 6.951 8.202 -14.689 1.00 0.00 C ATOM 1458 C VAL A 87 5.455 8.253 -14.976 1.00 0.00 C ATOM 1459 O VAL A 87 5.037 8.526 -16.103 1.00 0.00 O ATOM 1460 CB VAL A 87 7.394 9.554 -14.099 1.00 0.00 C ATOM 1461 CG1 VAL A 87 6.734 9.791 -12.749 1.00 0.00 C ATOM 1462 CG2 VAL A 87 8.911 9.618 -13.978 1.00 0.00 C ATOM 0 H VAL A 87 8.050 8.681 -16.410 1.00 0.00 H new ATOM 0 HA VAL A 87 7.154 7.414 -13.964 1.00 0.00 H new ATOM 0 HB VAL A 87 7.075 10.345 -14.778 1.00 0.00 H new ATOM 0 HG11 VAL A 87 7.059 10.751 -12.348 1.00 0.00 H new ATOM 0 HG12 VAL A 87 5.651 9.797 -12.870 1.00 0.00 H new ATOM 0 HG13 VAL A 87 7.018 8.995 -12.060 1.00 0.00 H new ATOM 0 HG21 VAL A 87 9.202 10.581 -13.559 1.00 0.00 H new ATOM 0 HG22 VAL A 87 9.258 8.818 -13.324 1.00 0.00 H new ATOM 0 HG23 VAL A 87 9.360 9.501 -14.964 1.00 0.00 H new ATOM 1472 N TYR A 88 4.651 7.991 -13.951 1.00 0.00 N ATOM 1473 CA TYR A 88 3.201 8.008 -14.095 1.00 0.00 C ATOM 1474 C TYR A 88 2.540 8.666 -12.888 1.00 0.00 C ATOM 1475 O TYR A 88 3.129 8.741 -11.810 1.00 0.00 O ATOM 1476 CB TYR A 88 2.668 6.585 -14.270 1.00 0.00 C ATOM 1477 CG TYR A 88 3.380 5.798 -15.346 1.00 0.00 C ATOM 1478 CD1 TYR A 88 3.440 6.267 -16.653 1.00 0.00 C ATOM 1479 CD2 TYR A 88 3.993 4.585 -15.056 1.00 0.00 C ATOM 1480 CE1 TYR A 88 4.090 5.550 -17.640 1.00 0.00 C ATOM 1481 CE2 TYR A 88 4.645 3.862 -16.037 1.00 0.00 C ATOM 1482 CZ TYR A 88 4.691 4.349 -17.326 1.00 0.00 C ATOM 1483 OH TYR A 88 5.338 3.632 -18.306 1.00 0.00 O ATOM 0 H TYR A 88 4.979 7.765 -13.012 1.00 0.00 H new ATOM 0 HA TYR A 88 2.957 8.592 -14.982 1.00 0.00 H new ATOM 0 HB2 TYR A 88 2.759 6.053 -13.323 1.00 0.00 H new ATOM 0 HB3 TYR A 88 1.605 6.631 -14.509 1.00 0.00 H new ATOM 0 HD1 TYR A 88 2.971 7.207 -16.902 1.00 0.00 H new ATOM 0 HD2 TYR A 88 3.959 4.201 -14.047 1.00 0.00 H new ATOM 0 HE1 TYR A 88 4.127 5.928 -18.651 1.00 0.00 H new ATOM 0 HE2 TYR A 88 5.116 2.921 -15.795 1.00 0.00 H new ATOM 0 HH TYR A 88 5.816 2.879 -17.899 1.00 0.00 H new ATOM 1493 N THR A 89 1.314 9.143 -13.078 1.00 0.00 N ATOM 1494 CA THR A 89 0.572 9.795 -12.006 1.00 0.00 C ATOM 1495 C THR A 89 -0.878 9.324 -11.983 1.00 0.00 C ATOM 1496 O THR A 89 -1.455 9.009 -13.024 1.00 0.00 O ATOM 1497 CB THR A 89 0.625 11.315 -12.172 1.00 0.00 C ATOM 1498 OG1 THR A 89 0.111 11.698 -13.435 1.00 0.00 O ATOM 1499 CG2 THR A 89 2.023 11.882 -12.055 1.00 0.00 C ATOM 0 H THR A 89 0.813 9.090 -13.965 1.00 0.00 H new ATOM 0 HA THR A 89 1.038 9.524 -11.059 1.00 0.00 H new ATOM 0 HB THR A 89 0.019 11.716 -11.359 1.00 0.00 H new ATOM 0 HG1 THR A 89 0.151 12.673 -13.523 1.00 0.00 H new ATOM 0 HG21 THR A 89 1.989 12.964 -12.183 1.00 0.00 H new ATOM 0 HG22 THR A 89 2.431 11.645 -11.072 1.00 0.00 H new ATOM 0 HG23 THR A 89 2.658 11.446 -12.826 1.00 0.00 H new ATOM 1507 N TYR A 90 -1.461 9.277 -10.790 1.00 0.00 N ATOM 1508 CA TYR A 90 -2.844 8.844 -10.631 1.00 0.00 C ATOM 1509 C TYR A 90 -3.810 9.987 -10.923 1.00 0.00 C ATOM 1510 O TYR A 90 -3.795 11.016 -10.246 1.00 0.00 O ATOM 1511 CB TYR A 90 -3.073 8.316 -9.213 1.00 0.00 C ATOM 1512 CG TYR A 90 -4.224 7.341 -9.108 1.00 0.00 C ATOM 1513 CD1 TYR A 90 -4.219 6.152 -9.827 1.00 0.00 C ATOM 1514 CD2 TYR A 90 -5.313 7.608 -8.289 1.00 0.00 C ATOM 1515 CE1 TYR A 90 -5.269 5.258 -9.733 1.00 0.00 C ATOM 1516 CE2 TYR A 90 -6.366 6.719 -8.188 1.00 0.00 C ATOM 1517 CZ TYR A 90 -6.340 5.545 -8.913 1.00 0.00 C ATOM 1518 OH TYR A 90 -7.386 4.658 -8.816 1.00 0.00 O ATOM 0 H TYR A 90 -0.997 9.534 -9.919 1.00 0.00 H new ATOM 0 HA TYR A 90 -3.033 8.043 -11.346 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -2.162 7.829 -8.864 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -3.259 9.158 -8.546 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -3.382 5.923 -10.469 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -5.337 8.526 -7.721 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -5.251 4.339 -10.299 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -7.205 6.942 -7.545 1.00 0.00 H new ATOM 0 HH TYR A 90 -8.058 5.011 -8.196 1.00 0.00 H new ATOM 1528 N VAL A 91 -4.651 9.801 -11.936 1.00 0.00 N ATOM 1529 CA VAL A 91 -5.624 10.817 -12.319 1.00 0.00 C ATOM 1530 C VAL A 91 -7.050 10.338 -12.065 1.00 0.00 C ATOM 1531 O VAL A 91 -7.979 10.720 -12.776 1.00 0.00 O ATOM 1532 CB VAL A 91 -5.483 11.203 -13.803 1.00 0.00 C ATOM 1533 CG1 VAL A 91 -4.297 12.133 -14.003 1.00 0.00 C ATOM 1534 CG2 VAL A 91 -5.347 9.959 -14.662 1.00 0.00 C ATOM 0 H VAL A 91 -4.678 8.956 -12.506 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.421 11.693 -11.703 1.00 0.00 H new ATOM 0 HB VAL A 91 -6.384 11.734 -14.111 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.214 12.395 -15.058 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.442 13.039 -13.415 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.384 11.633 -13.680 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.248 10.248 -15.708 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.463 9.400 -14.355 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -6.232 9.334 -14.540 1.00 0.00 H new ATOM 1544 N ALA A 92 -7.214 9.499 -11.048 1.00 0.00 N ATOM 1545 CA ALA A 92 -8.527 8.968 -10.700 1.00 0.00 C ATOM 1546 C ALA A 92 -8.605 8.625 -9.216 1.00 0.00 C ATOM 1547 CB ALA A 92 -8.840 7.742 -11.544 1.00 0.00 C ATOM 0 H ALA A 92 -6.455 9.172 -10.450 1.00 0.00 H new ATOM 0 HA ALA A 92 -9.270 9.738 -10.907 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -9.823 7.356 -11.274 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -8.835 8.016 -12.599 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -8.087 6.975 -11.365 1.00 0.00 H new