USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=14 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= -0.307 X(o=-0.31,f=-0.5) USER MOD Single : A 35 MET CE :methyl 165:sc= -0.0415 (180deg=-0.33) USER MOD Single : A 36 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0299) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0451) USER MOD Single : A 40 LYS NZ :NH3+ 177:sc= -0.0899 (180deg=-0.12) USER MOD Single : A 41 MET CE :methyl 140:sc= -5.27! (180deg=-10.4!) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 HIS : no HE2:sc= -1.77 X(o=-1.8,f=-1.4) USER MOD Single : A 44 ASN : amide:sc= -0.0915 K(o=-0.092,f=-1.4!) USER MOD Single : A 51 THR OG1 : rot 114:sc= 1.13 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 GLN : amide:sc= -0.315 X(o=-0.31,f=-0.72) 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 -4:sc= -0.185 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= -1.02 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 365 N LYS A 24 -4.280 -12.240 -15.866 1.00 0.00 N ATOM 366 CA LYS A 24 -4.094 -10.880 -16.362 1.00 0.00 C ATOM 367 C LYS A 24 -4.988 -9.901 -15.607 1.00 0.00 C ATOM 368 O LYS A 24 -5.522 -8.957 -16.189 1.00 0.00 O ATOM 369 CB LYS A 24 -4.397 -10.815 -17.860 1.00 0.00 C ATOM 370 CG LYS A 24 -3.610 -9.742 -18.593 1.00 0.00 C ATOM 371 CD LYS A 24 -3.220 -10.194 -19.992 1.00 0.00 C ATOM 372 CE LYS A 24 -2.704 -9.034 -20.829 1.00 0.00 C ATOM 373 NZ LYS A 24 -1.217 -9.005 -20.880 1.00 0.00 N ATOM 0 HA LYS A 24 -3.054 -10.598 -16.197 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.179 -11.784 -18.309 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.462 -10.632 -17.999 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -4.206 -8.832 -18.657 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.712 -9.496 -18.026 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.453 -10.966 -19.926 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.083 -10.644 -20.484 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -3.101 -9.112 -21.841 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -3.071 -8.095 -20.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.905 -8.200 -21.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.838 -8.905 -19.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.867 -9.890 -21.299 1.00 0.00 H new ATOM 387 N HIS A 25 -5.146 -10.133 -14.308 1.00 0.00 N ATOM 388 CA HIS A 25 -5.976 -9.272 -13.473 1.00 0.00 C ATOM 389 C HIS A 25 -5.283 -8.959 -12.151 1.00 0.00 C ATOM 390 O HIS A 25 -5.284 -7.815 -11.695 1.00 0.00 O ATOM 391 CB HIS A 25 -7.329 -9.935 -13.209 1.00 0.00 C ATOM 392 CG HIS A 25 -8.480 -8.977 -13.237 1.00 0.00 C ATOM 393 ND1 HIS A 25 -8.550 -7.910 -14.109 1.00 0.00 N ATOM 394 CD2 HIS A 25 -9.613 -8.930 -12.495 1.00 0.00 C ATOM 395 CE1 HIS A 25 -9.674 -7.248 -13.901 1.00 0.00 C ATOM 396 NE2 HIS A 25 -10.336 -7.847 -12.928 1.00 0.00 N ATOM 0 H HIS A 25 -4.710 -10.910 -13.811 1.00 0.00 H new ATOM 0 HA HIS A 25 -6.135 -8.335 -14.007 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -7.495 -10.712 -13.955 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -7.300 -10.427 -12.237 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -9.894 -9.616 -11.710 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -9.997 -6.367 -14.436 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -11.240 -7.552 -12.558 1.00 0.00 H new ATOM 405 N GLU A 26 -4.693 -9.980 -11.538 1.00 0.00 N ATOM 406 CA GLU A 26 -3.998 -9.812 -10.266 1.00 0.00 C ATOM 407 C GLU A 26 -2.892 -8.767 -10.382 1.00 0.00 C ATOM 408 O GLU A 26 -2.595 -8.056 -9.421 1.00 0.00 O ATOM 409 CB GLU A 26 -3.414 -11.147 -9.800 1.00 0.00 C ATOM 410 CG GLU A 26 -4.248 -11.833 -8.729 1.00 0.00 C ATOM 411 CD GLU A 26 -4.648 -13.245 -9.114 1.00 0.00 C ATOM 412 OE1 GLU A 26 -3.830 -14.168 -8.921 1.00 0.00 O ATOM 413 OE2 GLU A 26 -5.781 -13.425 -9.608 1.00 0.00 O ATOM 0 H GLU A 26 -4.682 -10.933 -11.901 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.721 -9.464 -9.528 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.320 -11.813 -10.658 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.408 -10.980 -9.415 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -3.683 -11.861 -7.797 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.146 -11.244 -8.540 1.00 0.00 H new ATOM 420 N ILE A 27 -2.285 -8.678 -11.561 1.00 0.00 N ATOM 421 CA ILE A 27 -1.214 -7.718 -11.796 1.00 0.00 C ATOM 422 C ILE A 27 -1.776 -6.320 -12.032 1.00 0.00 C ATOM 423 O ILE A 27 -1.204 -5.325 -11.583 1.00 0.00 O ATOM 424 CB ILE A 27 -0.344 -8.121 -13.004 1.00 0.00 C ATOM 425 CG1 ILE A 27 -0.007 -9.612 -12.947 1.00 0.00 C ATOM 426 CG2 ILE A 27 0.928 -7.287 -13.043 1.00 0.00 C ATOM 427 CD1 ILE A 27 0.838 -10.087 -14.109 1.00 0.00 C ATOM 0 H ILE A 27 -2.517 -9.258 -12.367 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.592 -7.714 -10.901 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.909 -7.931 -13.917 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.520 -9.822 -12.016 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.934 -10.185 -12.925 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.531 -7.583 -13.901 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.669 -6.232 -13.129 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.497 -7.448 -12.127 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.038 -11.153 -14.002 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.305 -9.910 -15.043 1.00 0.00 H new ATOM 0 HD13 ILE A 27 1.781 -9.541 -14.120 1.00 0.00 H new ATOM 439 N GLU A 28 -2.900 -6.251 -12.736 1.00 0.00 N ATOM 440 CA GLU A 28 -3.542 -4.975 -13.030 1.00 0.00 C ATOM 441 C GLU A 28 -4.145 -4.368 -11.766 1.00 0.00 C ATOM 442 O GLU A 28 -4.079 -3.158 -11.554 1.00 0.00 O ATOM 443 CB GLU A 28 -4.629 -5.158 -14.090 1.00 0.00 C ATOM 444 CG GLU A 28 -5.192 -3.848 -14.617 1.00 0.00 C ATOM 445 CD GLU A 28 -6.618 -3.983 -15.113 1.00 0.00 C ATOM 446 OE1 GLU A 28 -6.852 -4.801 -16.028 1.00 0.00 O ATOM 447 OE2 GLU A 28 -7.500 -3.273 -14.587 1.00 0.00 O ATOM 0 H GLU A 28 -3.386 -7.064 -13.114 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.783 -4.294 -13.414 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.220 -5.729 -14.923 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.441 -5.749 -13.667 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.156 -3.098 -13.827 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.561 -3.487 -15.429 1.00 0.00 H new ATOM 454 N ALA A 29 -4.733 -5.218 -10.930 1.00 0.00 N ATOM 455 CA ALA A 29 -5.347 -4.766 -9.688 1.00 0.00 C ATOM 456 C ALA A 29 -4.298 -4.222 -8.725 1.00 0.00 C ATOM 457 O ALA A 29 -4.551 -3.269 -7.989 1.00 0.00 O ATOM 458 CB ALA A 29 -6.121 -5.903 -9.038 1.00 0.00 C ATOM 0 H ALA A 29 -4.797 -6.223 -11.091 1.00 0.00 H new ATOM 0 HA ALA A 29 -6.039 -3.958 -9.926 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.574 -5.551 -8.111 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.902 -6.246 -9.717 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.442 -6.727 -8.820 1.00 0.00 H new ATOM 464 N ALA A 30 -3.117 -4.833 -8.738 1.00 0.00 N ATOM 465 CA ALA A 30 -2.029 -4.409 -7.867 1.00 0.00 C ATOM 466 C ALA A 30 -1.592 -2.983 -8.187 1.00 0.00 C ATOM 467 O ALA A 30 -1.329 -2.187 -7.285 1.00 0.00 O ATOM 468 CB ALA A 30 -0.852 -5.364 -7.991 1.00 0.00 C ATOM 0 H ALA A 30 -2.890 -5.623 -9.342 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.391 -4.427 -6.839 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.046 -5.035 -7.335 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -1.166 -6.368 -7.705 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.499 -5.374 -9.022 1.00 0.00 H new ATOM 474 N ILE A 31 -1.519 -2.667 -9.476 1.00 0.00 N ATOM 475 CA ILE A 31 -1.115 -1.337 -9.913 1.00 0.00 C ATOM 476 C ILE A 31 -2.102 -0.279 -9.429 1.00 0.00 C ATOM 477 O ILE A 31 -1.710 0.826 -9.055 1.00 0.00 O ATOM 478 CB ILE A 31 -1.000 -1.256 -11.449 1.00 0.00 C ATOM 479 CG1 ILE A 31 -0.066 -2.350 -11.972 1.00 0.00 C ATOM 480 CG2 ILE A 31 -0.502 0.118 -11.875 1.00 0.00 C ATOM 481 CD1 ILE A 31 -0.189 -2.588 -13.461 1.00 0.00 C ATOM 0 H ILE A 31 -1.734 -3.314 -10.235 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.135 -1.145 -9.476 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.990 -1.411 -11.878 1.00 0.00 H new ATOM 0 HG12 ILE A 31 0.964 -2.079 -11.739 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.278 -3.280 -11.445 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.427 0.157 -12.962 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.201 0.881 -11.532 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.479 0.301 -11.437 1.00 0.00 H new ATOM 0 HD11 ILE A 31 0.502 -3.376 -13.762 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.209 -2.890 -13.698 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.052 -1.670 -13.997 1.00 0.00 H new ATOM 493 N VAL A 32 -3.385 -0.626 -9.437 1.00 0.00 N ATOM 494 CA VAL A 32 -4.427 0.294 -8.998 1.00 0.00 C ATOM 495 C VAL A 32 -4.399 0.477 -7.483 1.00 0.00 C ATOM 496 O VAL A 32 -4.793 1.524 -6.969 1.00 0.00 O ATOM 497 CB VAL A 32 -5.825 -0.195 -9.419 1.00 0.00 C ATOM 498 CG1 VAL A 32 -6.874 0.868 -9.130 1.00 0.00 C ATOM 499 CG2 VAL A 32 -5.834 -0.579 -10.890 1.00 0.00 C ATOM 0 H VAL A 32 -3.727 -1.537 -9.742 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.225 1.250 -9.480 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.071 -1.081 -8.834 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.855 0.503 -9.435 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -6.884 1.088 -8.063 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.636 1.775 -9.686 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -6.830 -0.922 -11.170 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.566 0.288 -11.494 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.113 -1.378 -11.062 1.00 0.00 H new ATOM 509 N ARG A 33 -3.934 -0.548 -6.775 1.00 0.00 N ATOM 510 CA ARG A 33 -3.859 -0.498 -5.319 1.00 0.00 C ATOM 511 C ARG A 33 -2.703 0.388 -4.862 1.00 0.00 C ATOM 512 O ARG A 33 -2.840 1.164 -3.915 1.00 0.00 O ATOM 513 CB ARG A 33 -3.694 -1.910 -4.749 1.00 0.00 C ATOM 514 CG ARG A 33 -4.813 -2.317 -3.803 1.00 0.00 C ATOM 515 CD ARG A 33 -4.408 -2.131 -2.349 1.00 0.00 C ATOM 516 NE ARG A 33 -3.962 -3.382 -1.740 1.00 0.00 N ATOM 517 CZ ARG A 33 -3.272 -3.447 -0.603 1.00 0.00 C ATOM 518 NH1 ARG A 33 -2.950 -2.338 0.051 1.00 0.00 N ATOM 519 NH2 ARG A 33 -2.904 -4.625 -0.118 1.00 0.00 N ATOM 0 H ARG A 33 -3.604 -1.422 -7.185 1.00 0.00 H new ATOM 0 HA ARG A 33 -4.789 -0.069 -4.946 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -3.648 -2.623 -5.573 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -2.742 -1.971 -4.221 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -5.703 -1.723 -4.013 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -5.077 -3.360 -3.978 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -3.609 -1.393 -2.287 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -5.253 -1.734 -1.785 1.00 0.00 H new ATOM 0 HE ARG A 33 -4.192 -4.256 -2.213 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -3.231 -1.429 -0.317 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -2.421 -2.395 0.921 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -3.149 -5.481 -0.616 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -2.375 -4.675 0.753 1.00 0.00 H new ATOM 533 N ILE A 34 -1.566 0.266 -5.537 1.00 0.00 N ATOM 534 CA ILE A 34 -0.387 1.054 -5.199 1.00 0.00 C ATOM 535 C ILE A 34 -0.571 2.518 -5.586 1.00 0.00 C ATOM 536 O ILE A 34 -0.323 3.418 -4.784 1.00 0.00 O ATOM 537 CB ILE A 34 0.875 0.505 -5.894 1.00 0.00 C ATOM 538 CG1 ILE A 34 1.010 -0.998 -5.643 1.00 0.00 C ATOM 539 CG2 ILE A 34 2.113 1.242 -5.406 1.00 0.00 C ATOM 540 CD1 ILE A 34 1.860 -1.710 -6.673 1.00 0.00 C ATOM 0 H ILE A 34 -1.436 -0.372 -6.322 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.259 0.981 -4.119 1.00 0.00 H new ATOM 0 HB ILE A 34 0.779 0.668 -6.967 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.443 -1.156 -4.655 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.017 -1.447 -5.631 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.995 0.842 -5.906 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.017 2.304 -5.632 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.215 1.108 -4.329 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.911 -2.772 -6.431 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.417 -1.584 -7.661 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.865 -1.288 -6.670 1.00 0.00 H new ATOM 552 N MET A 35 -1.008 2.749 -6.820 1.00 0.00 N ATOM 553 CA MET A 35 -1.225 4.106 -7.311 1.00 0.00 C ATOM 554 C MET A 35 -2.239 4.847 -6.445 1.00 0.00 C ATOM 555 O MET A 35 -2.181 6.069 -6.314 1.00 0.00 O ATOM 556 CB MET A 35 -1.705 4.076 -8.764 1.00 0.00 C ATOM 557 CG MET A 35 -0.644 3.622 -9.757 1.00 0.00 C ATOM 558 SD MET A 35 0.913 4.512 -9.579 1.00 0.00 S ATOM 559 CE MET A 35 0.829 5.582 -11.006 1.00 0.00 C ATOM 0 H MET A 35 -1.219 2.016 -7.497 1.00 0.00 H new ATOM 0 HA MET A 35 -0.275 4.637 -7.259 1.00 0.00 H new ATOM 0 HB2 MET A 35 -2.566 3.411 -8.838 1.00 0.00 H new ATOM 0 HB3 MET A 35 -2.047 5.072 -9.044 1.00 0.00 H new ATOM 0 HG2 MET A 35 -0.464 2.555 -9.625 1.00 0.00 H new ATOM 0 HG3 MET A 35 -1.021 3.759 -10.771 1.00 0.00 H new ATOM 0 HE1 MET A 35 1.569 6.377 -10.909 1.00 0.00 H new ATOM 0 HE2 MET A 35 1.034 5.004 -11.907 1.00 0.00 H new ATOM 0 HE3 MET A 35 -0.167 6.020 -11.074 1.00 0.00 H new ATOM 569 N LYS A 36 -3.167 4.101 -5.855 1.00 0.00 N ATOM 570 CA LYS A 36 -4.192 4.691 -5.002 1.00 0.00 C ATOM 571 C LYS A 36 -3.567 5.365 -3.784 1.00 0.00 C ATOM 572 O LYS A 36 -4.111 6.333 -3.253 1.00 0.00 O ATOM 573 CB LYS A 36 -5.191 3.620 -4.556 1.00 0.00 C ATOM 574 CG LYS A 36 -6.639 3.986 -4.836 1.00 0.00 C ATOM 575 CD LYS A 36 -7.579 2.836 -4.508 1.00 0.00 C ATOM 576 CE LYS A 36 -8.312 3.070 -3.196 1.00 0.00 C ATOM 577 NZ LYS A 36 -7.398 2.978 -2.023 1.00 0.00 N ATOM 0 H LYS A 36 -3.230 3.088 -5.952 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.719 5.450 -5.580 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.957 2.683 -5.062 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.069 3.444 -3.487 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.914 4.861 -4.248 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.750 4.260 -5.885 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.303 2.716 -5.314 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.012 1.907 -4.448 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.782 4.053 -3.213 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.111 2.337 -3.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -7.946 3.093 -1.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -6.930 2.049 -2.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -6.679 3.727 -2.083 1.00 0.00 H new ATOM 591 N SER A 37 -2.424 4.846 -3.346 1.00 0.00 N ATOM 592 CA SER A 37 -1.730 5.400 -2.189 1.00 0.00 C ATOM 593 C SER A 37 -0.494 6.185 -2.617 1.00 0.00 C ATOM 594 O SER A 37 -0.315 7.340 -2.231 1.00 0.00 O ATOM 595 CB SER A 37 -1.329 4.281 -1.226 1.00 0.00 C ATOM 596 OG SER A 37 -0.786 4.810 -0.029 1.00 0.00 O ATOM 0 H SER A 37 -1.960 4.045 -3.774 1.00 0.00 H new ATOM 0 HA SER A 37 -2.412 6.082 -1.681 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.199 3.667 -0.994 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.598 3.630 -1.704 1.00 0.00 H new ATOM 0 HG SER A 37 -0.539 4.075 0.571 1.00 0.00 H new ATOM 602 N ARG A 38 0.357 5.549 -3.417 1.00 0.00 N ATOM 603 CA ARG A 38 1.578 6.188 -3.896 1.00 0.00 C ATOM 604 C ARG A 38 1.254 7.360 -4.819 1.00 0.00 C ATOM 605 O ARG A 38 1.993 8.343 -4.868 1.00 0.00 O ATOM 606 CB ARG A 38 2.456 5.171 -4.630 1.00 0.00 C ATOM 607 CG ARG A 38 3.548 4.571 -3.760 1.00 0.00 C ATOM 608 CD ARG A 38 4.612 3.876 -4.596 1.00 0.00 C ATOM 609 NE ARG A 38 5.958 4.327 -4.252 1.00 0.00 N ATOM 610 CZ ARG A 38 6.490 5.469 -4.680 1.00 0.00 C ATOM 611 NH1 ARG A 38 5.795 6.278 -5.471 1.00 0.00 N ATOM 612 NH2 ARG A 38 7.721 5.805 -4.317 1.00 0.00 N ATOM 0 H ARG A 38 0.224 4.593 -3.747 1.00 0.00 H new ATOM 0 HA ARG A 38 2.122 6.570 -3.032 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.826 4.368 -5.013 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.915 5.655 -5.492 1.00 0.00 H new ATOM 0 HG2 ARG A 38 4.010 5.356 -3.162 1.00 0.00 H new ATOM 0 HG3 ARG A 38 3.108 3.857 -3.064 1.00 0.00 H new ATOM 0 HD2 ARG A 38 4.542 2.798 -4.449 1.00 0.00 H new ATOM 0 HD3 ARG A 38 4.425 4.066 -5.653 1.00 0.00 H new ATOM 0 HE ARG A 38 6.524 3.731 -3.648 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.848 6.025 -5.754 1.00 0.00 H new ATOM 0 HH12 ARG A 38 6.208 7.152 -5.796 1.00 0.00 H new ATOM 0 HH21 ARG A 38 8.260 5.188 -3.710 1.00 0.00 H new ATOM 0 HH22 ARG A 38 8.128 6.681 -4.645 1.00 0.00 H new ATOM 626 N LYS A 39 0.147 7.246 -5.548 1.00 0.00 N ATOM 627 CA LYS A 39 -0.278 8.293 -6.472 1.00 0.00 C ATOM 628 C LYS A 39 0.691 8.413 -7.645 1.00 0.00 C ATOM 629 O LYS A 39 0.355 8.063 -8.776 1.00 0.00 O ATOM 630 CB LYS A 39 -0.393 9.637 -5.747 1.00 0.00 C ATOM 631 CG LYS A 39 -1.269 9.586 -4.505 1.00 0.00 C ATOM 632 CD LYS A 39 -2.708 9.238 -4.854 1.00 0.00 C ATOM 633 CE LYS A 39 -3.580 9.168 -3.612 1.00 0.00 C ATOM 634 NZ LYS A 39 -3.789 10.511 -3.003 1.00 0.00 N ATOM 0 H LYS A 39 -0.473 6.437 -5.516 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.258 8.018 -6.861 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.604 9.974 -5.464 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -0.797 10.379 -6.436 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.873 8.847 -3.809 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -1.239 10.550 -3.997 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -3.108 9.985 -5.539 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -2.736 8.281 -5.374 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.545 8.732 -3.870 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.117 8.506 -2.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.469 10.435 -2.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -2.884 10.873 -2.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.160 11.164 -3.722 1.00 0.00 H new ATOM 648 N LYS A 40 1.893 8.909 -7.369 1.00 0.00 N ATOM 649 CA LYS A 40 2.907 9.072 -8.403 1.00 0.00 C ATOM 650 C LYS A 40 3.982 7.998 -8.283 1.00 0.00 C ATOM 651 O LYS A 40 4.714 7.945 -7.295 1.00 0.00 O ATOM 652 CB LYS A 40 3.543 10.460 -8.310 1.00 0.00 C ATOM 653 CG LYS A 40 4.408 10.814 -9.509 1.00 0.00 C ATOM 654 CD LYS A 40 4.867 12.263 -9.458 1.00 0.00 C ATOM 655 CE LYS A 40 4.039 13.143 -10.379 1.00 0.00 C ATOM 656 NZ LYS A 40 2.703 13.453 -9.798 1.00 0.00 N ATOM 0 H LYS A 40 2.188 9.205 -6.438 1.00 0.00 H new ATOM 0 HA LYS A 40 2.421 8.968 -9.373 1.00 0.00 H new ATOM 0 HB2 LYS A 40 2.755 11.206 -8.208 1.00 0.00 H new ATOM 0 HB3 LYS A 40 4.150 10.513 -7.406 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.277 10.157 -9.538 1.00 0.00 H new ATOM 0 HG3 LYS A 40 3.847 10.641 -10.427 1.00 0.00 H new ATOM 0 HD2 LYS A 40 4.793 12.633 -8.436 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.917 12.323 -9.743 1.00 0.00 H new ATOM 0 HE2 LYS A 40 4.575 14.072 -10.572 1.00 0.00 H new ATOM 0 HE3 LYS A 40 3.910 12.644 -11.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 2.189 14.096 -10.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 2.161 12.573 -9.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.825 13.907 -8.870 1.00 0.00 H new ATOM 670 N MET A 41 4.073 7.141 -9.296 1.00 0.00 N ATOM 671 CA MET A 41 5.058 6.067 -9.304 1.00 0.00 C ATOM 672 C MET A 41 5.763 5.986 -10.654 1.00 0.00 C ATOM 673 O MET A 41 5.191 6.339 -11.686 1.00 0.00 O ATOM 674 CB MET A 41 4.387 4.729 -8.985 1.00 0.00 C ATOM 675 CG MET A 41 5.280 3.766 -8.221 1.00 0.00 C ATOM 676 SD MET A 41 4.472 2.191 -7.881 1.00 0.00 S ATOM 677 CE MET A 41 5.634 1.451 -6.738 1.00 0.00 C ATOM 0 H MET A 41 3.475 7.171 -10.122 1.00 0.00 H new ATOM 0 HA MET A 41 5.802 6.284 -8.538 1.00 0.00 H new ATOM 0 HB2 MET A 41 3.485 4.915 -8.402 1.00 0.00 H new ATOM 0 HB3 MET A 41 4.073 4.258 -9.917 1.00 0.00 H new ATOM 0 HG2 MET A 41 6.189 3.587 -8.795 1.00 0.00 H new ATOM 0 HG3 MET A 41 5.582 4.226 -7.280 1.00 0.00 H new ATOM 0 HE1 MET A 41 5.089 0.938 -5.946 1.00 0.00 H new ATOM 0 HE2 MET A 41 6.261 0.735 -7.269 1.00 0.00 H new ATOM 0 HE3 MET A 41 6.261 2.229 -6.302 1.00 0.00 H new ATOM 687 N GLN A 42 7.008 5.520 -10.640 1.00 0.00 N ATOM 688 CA GLN A 42 7.790 5.393 -11.865 1.00 0.00 C ATOM 689 C GLN A 42 7.585 4.022 -12.500 1.00 0.00 C ATOM 690 O GLN A 42 7.022 3.118 -11.884 1.00 0.00 O ATOM 691 CB GLN A 42 9.276 5.621 -11.572 1.00 0.00 C ATOM 692 CG GLN A 42 9.846 6.855 -12.252 1.00 0.00 C ATOM 693 CD GLN A 42 11.360 6.834 -12.320 1.00 0.00 C ATOM 694 OE1 GLN A 42 12.037 6.710 -11.299 1.00 0.00 O ATOM 695 NE2 GLN A 42 11.900 6.957 -13.527 1.00 0.00 N ATOM 0 H GLN A 42 7.497 5.224 -9.795 1.00 0.00 H new ATOM 0 HA GLN A 42 7.447 6.152 -12.568 1.00 0.00 H new ATOM 0 HB2 GLN A 42 9.416 5.712 -10.495 1.00 0.00 H new ATOM 0 HB3 GLN A 42 9.840 4.746 -11.894 1.00 0.00 H new ATOM 0 HG2 GLN A 42 9.441 6.929 -13.261 1.00 0.00 H new ATOM 0 HG3 GLN A 42 9.522 7.745 -11.713 1.00 0.00 H new ATOM 0 HE21 GLN A 42 11.301 7.057 -14.346 1.00 0.00 H new ATOM 0 HE22 GLN A 42 12.914 6.951 -13.635 1.00 0.00 H new ATOM 704 N HIS A 43 8.046 3.874 -13.738 1.00 0.00 N ATOM 705 CA HIS A 43 7.914 2.613 -14.458 1.00 0.00 C ATOM 706 C HIS A 43 8.651 1.492 -13.733 1.00 0.00 C ATOM 707 O HIS A 43 8.059 0.469 -13.386 1.00 0.00 O ATOM 708 CB HIS A 43 8.452 2.756 -15.882 1.00 0.00 C ATOM 709 CG HIS A 43 8.118 1.594 -16.766 1.00 0.00 C ATOM 710 ND1 HIS A 43 8.270 1.623 -18.137 1.00 0.00 N ATOM 711 CD2 HIS A 43 7.641 0.362 -16.468 1.00 0.00 C ATOM 712 CE1 HIS A 43 7.897 0.461 -18.643 1.00 0.00 C ATOM 713 NE2 HIS A 43 7.512 -0.321 -17.652 1.00 0.00 N ATOM 0 H HIS A 43 8.514 4.612 -14.263 1.00 0.00 H new ATOM 0 HA HIS A 43 6.855 2.358 -14.501 1.00 0.00 H new ATOM 0 HB2 HIS A 43 8.049 3.667 -16.325 1.00 0.00 H new ATOM 0 HB3 HIS A 43 9.535 2.873 -15.843 1.00 0.00 H new ATOM 0 HD1 HIS A 43 8.616 2.417 -18.676 1.00 0.00 H new ATOM 0 HD2 HIS A 43 7.406 -0.013 -15.483 1.00 0.00 H new ATOM 0 HE1 HIS A 43 7.906 0.196 -19.690 1.00 0.00 H new ATOM 722 N ASN A 44 9.946 1.689 -13.508 1.00 0.00 N ATOM 723 CA ASN A 44 10.765 0.693 -12.826 1.00 0.00 C ATOM 724 C ASN A 44 10.228 0.415 -11.425 1.00 0.00 C ATOM 725 O ASN A 44 10.131 -0.738 -11.005 1.00 0.00 O ATOM 726 CB ASN A 44 12.217 1.165 -12.744 1.00 0.00 C ATOM 727 CG ASN A 44 12.979 0.917 -14.032 1.00 0.00 C ATOM 728 OD1 ASN A 44 12.684 -0.024 -14.770 1.00 0.00 O ATOM 729 ND2 ASN A 44 13.966 1.761 -14.308 1.00 0.00 N ATOM 0 H ASN A 44 10.451 2.530 -13.788 1.00 0.00 H new ATOM 0 HA ASN A 44 10.724 -0.231 -13.402 1.00 0.00 H new ATOM 0 HB2 ASN A 44 12.238 2.230 -12.512 1.00 0.00 H new ATOM 0 HB3 ASN A 44 12.718 0.650 -11.924 1.00 0.00 H new ATOM 0 HD21 ASN A 44 14.514 1.643 -15.160 1.00 0.00 H new ATOM 0 HD22 ASN A 44 14.176 2.527 -13.668 1.00 0.00 H new ATOM 736 N VAL A 45 9.883 1.478 -10.707 1.00 0.00 N ATOM 737 CA VAL A 45 9.357 1.349 -9.354 1.00 0.00 C ATOM 738 C VAL A 45 8.088 0.503 -9.334 1.00 0.00 C ATOM 739 O VAL A 45 7.953 -0.414 -8.525 1.00 0.00 O ATOM 740 CB VAL A 45 9.051 2.726 -8.735 1.00 0.00 C ATOM 741 CG1 VAL A 45 8.697 2.584 -7.263 1.00 0.00 C ATOM 742 CG2 VAL A 45 10.230 3.668 -8.920 1.00 0.00 C ATOM 0 H VAL A 45 9.958 2.439 -11.040 1.00 0.00 H new ATOM 0 HA VAL A 45 10.129 0.856 -8.762 1.00 0.00 H new ATOM 0 HB VAL A 45 8.191 3.153 -9.251 1.00 0.00 H new ATOM 0 HG11 VAL A 45 8.484 3.567 -6.843 1.00 0.00 H new ATOM 0 HG12 VAL A 45 7.818 1.948 -7.160 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.535 2.135 -6.729 1.00 0.00 H new ATOM 0 HG21 VAL A 45 9.996 4.636 -8.477 1.00 0.00 H new ATOM 0 HG22 VAL A 45 11.110 3.249 -8.433 1.00 0.00 H new ATOM 0 HG23 VAL A 45 10.430 3.795 -9.984 1.00 0.00 H new ATOM 752 N LEU A 46 7.160 0.819 -10.231 1.00 0.00 N ATOM 753 CA LEU A 46 5.900 0.090 -10.318 1.00 0.00 C ATOM 754 C LEU A 46 6.140 -1.377 -10.659 1.00 0.00 C ATOM 755 O LEU A 46 5.424 -2.260 -10.187 1.00 0.00 O ATOM 756 CB LEU A 46 4.990 0.727 -11.370 1.00 0.00 C ATOM 757 CG LEU A 46 3.644 0.029 -11.572 1.00 0.00 C ATOM 758 CD1 LEU A 46 2.642 0.488 -10.524 1.00 0.00 C ATOM 759 CD2 LEU A 46 3.113 0.292 -12.973 1.00 0.00 C ATOM 0 H LEU A 46 7.257 1.575 -10.908 1.00 0.00 H new ATOM 0 HA LEU A 46 5.412 0.142 -9.345 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.805 1.764 -11.088 1.00 0.00 H new ATOM 0 HB3 LEU A 46 5.519 0.745 -12.323 1.00 0.00 H new ATOM 0 HG LEU A 46 3.792 -1.045 -11.457 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.690 -0.019 -10.684 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.019 0.247 -9.530 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.497 1.565 -10.606 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.155 -0.212 -13.099 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.981 1.364 -13.117 1.00 0.00 H new ATOM 0 HD23 LEU A 46 3.822 -0.088 -13.708 1.00 0.00 H new ATOM 771 N VAL A 47 7.152 -1.630 -11.484 1.00 0.00 N ATOM 772 CA VAL A 47 7.485 -2.990 -11.891 1.00 0.00 C ATOM 773 C VAL A 47 8.153 -3.761 -10.756 1.00 0.00 C ATOM 774 O VAL A 47 8.070 -4.988 -10.695 1.00 0.00 O ATOM 775 CB VAL A 47 8.417 -2.993 -13.118 1.00 0.00 C ATOM 776 CG1 VAL A 47 8.657 -4.414 -13.607 1.00 0.00 C ATOM 777 CG2 VAL A 47 7.839 -2.130 -14.230 1.00 0.00 C ATOM 0 H VAL A 47 7.755 -0.911 -11.883 1.00 0.00 H new ATOM 0 HA VAL A 47 6.547 -3.480 -12.152 1.00 0.00 H new ATOM 0 HB VAL A 47 9.377 -2.570 -12.821 1.00 0.00 H new ATOM 0 HG11 VAL A 47 9.317 -4.394 -14.474 1.00 0.00 H new ATOM 0 HG12 VAL A 47 9.119 -4.999 -12.812 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.706 -4.868 -13.886 1.00 0.00 H new ATOM 0 HG21 VAL A 47 8.511 -2.144 -15.088 1.00 0.00 H new ATOM 0 HG22 VAL A 47 6.865 -2.521 -14.525 1.00 0.00 H new ATOM 0 HG23 VAL A 47 7.726 -1.106 -13.874 1.00 0.00 H new ATOM 787 N ALA A 48 8.817 -3.038 -9.860 1.00 0.00 N ATOM 788 CA ALA A 48 9.500 -3.662 -8.732 1.00 0.00 C ATOM 789 C ALA A 48 8.518 -4.040 -7.628 1.00 0.00 C ATOM 790 O ALA A 48 8.589 -5.133 -7.068 1.00 0.00 O ATOM 791 CB ALA A 48 10.573 -2.731 -8.188 1.00 0.00 C ATOM 0 H ALA A 48 8.897 -2.022 -9.893 1.00 0.00 H new ATOM 0 HA ALA A 48 9.971 -4.578 -9.089 1.00 0.00 H new ATOM 0 HB1 ALA A 48 11.076 -3.208 -7.346 1.00 0.00 H new ATOM 0 HB2 ALA A 48 11.300 -2.517 -8.971 1.00 0.00 H new ATOM 0 HB3 ALA A 48 10.113 -1.800 -7.856 1.00 0.00 H new ATOM 797 N GLU A 49 7.604 -3.126 -7.316 1.00 0.00 N ATOM 798 CA GLU A 49 6.611 -3.362 -6.273 1.00 0.00 C ATOM 799 C GLU A 49 5.604 -4.427 -6.701 1.00 0.00 C ATOM 800 O GLU A 49 5.387 -5.409 -5.992 1.00 0.00 O ATOM 801 CB GLU A 49 5.880 -2.061 -5.933 1.00 0.00 C ATOM 802 CG GLU A 49 6.502 -1.298 -4.775 1.00 0.00 C ATOM 803 CD GLU A 49 7.980 -1.029 -4.979 1.00 0.00 C ATOM 804 OE1 GLU A 49 8.764 -2.001 -4.997 1.00 0.00 O ATOM 805 OE2 GLU A 49 8.353 0.154 -5.122 1.00 0.00 O ATOM 0 H GLU A 49 7.530 -2.216 -7.770 1.00 0.00 H new ATOM 0 HA GLU A 49 7.134 -3.722 -5.387 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.868 -1.420 -6.815 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.842 -2.290 -5.691 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.979 -0.351 -4.647 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.364 -1.866 -3.855 1.00 0.00 H new ATOM 812 N VAL A 50 4.986 -4.221 -7.859 1.00 0.00 N ATOM 813 CA VAL A 50 3.996 -5.159 -8.377 1.00 0.00 C ATOM 814 C VAL A 50 4.583 -6.560 -8.538 1.00 0.00 C ATOM 815 O VAL A 50 4.048 -7.531 -8.005 1.00 0.00 O ATOM 816 CB VAL A 50 3.434 -4.690 -9.733 1.00 0.00 C ATOM 817 CG1 VAL A 50 2.323 -5.618 -10.204 1.00 0.00 C ATOM 818 CG2 VAL A 50 2.935 -3.256 -9.638 1.00 0.00 C ATOM 0 H VAL A 50 5.153 -3.412 -8.457 1.00 0.00 H new ATOM 0 HA VAL A 50 3.187 -5.194 -7.647 1.00 0.00 H new ATOM 0 HB VAL A 50 4.238 -4.723 -10.468 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.940 -5.269 -11.163 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.716 -6.628 -10.316 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.517 -5.622 -9.471 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.542 -2.943 -10.605 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.146 -3.194 -8.888 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.759 -2.602 -9.352 1.00 0.00 H new ATOM 828 N THR A 51 5.682 -6.658 -9.280 1.00 0.00 N ATOM 829 CA THR A 51 6.335 -7.941 -9.516 1.00 0.00 C ATOM 830 C THR A 51 6.687 -8.632 -8.200 1.00 0.00 C ATOM 831 O THR A 51 6.449 -9.828 -8.035 1.00 0.00 O ATOM 832 CB THR A 51 7.595 -7.748 -10.361 1.00 0.00 C ATOM 833 OG1 THR A 51 7.277 -7.150 -11.605 1.00 0.00 O ATOM 834 CG2 THR A 51 8.329 -9.041 -10.650 1.00 0.00 C ATOM 0 H THR A 51 6.139 -5.864 -9.728 1.00 0.00 H new ATOM 0 HA THR A 51 5.636 -8.578 -10.058 1.00 0.00 H new ATOM 0 HB THR A 51 8.244 -7.106 -9.766 1.00 0.00 H new ATOM 0 HG1 THR A 51 7.677 -6.256 -11.650 1.00 0.00 H new ATOM 0 HG21 THR A 51 9.212 -8.831 -11.253 1.00 0.00 H new ATOM 0 HG22 THR A 51 8.632 -9.505 -9.711 1.00 0.00 H new ATOM 0 HG23 THR A 51 7.671 -9.719 -11.194 1.00 0.00 H new ATOM 842 N GLN A 52 7.255 -7.872 -7.268 1.00 0.00 N ATOM 843 CA GLN A 52 7.638 -8.419 -5.971 1.00 0.00 C ATOM 844 C GLN A 52 6.410 -8.695 -5.110 1.00 0.00 C ATOM 845 O GLN A 52 6.418 -9.597 -4.272 1.00 0.00 O ATOM 846 CB GLN A 52 8.577 -7.453 -5.243 1.00 0.00 C ATOM 847 CG GLN A 52 9.988 -7.437 -5.808 1.00 0.00 C ATOM 848 CD GLN A 52 11.042 -7.740 -4.760 1.00 0.00 C ATOM 849 OE1 GLN A 52 11.539 -6.840 -4.084 1.00 0.00 O ATOM 850 NE2 GLN A 52 11.387 -9.015 -4.620 1.00 0.00 N ATOM 0 H GLN A 52 7.459 -6.880 -7.386 1.00 0.00 H new ATOM 0 HA GLN A 52 8.158 -9.362 -6.143 1.00 0.00 H new ATOM 0 HB2 GLN A 52 8.162 -6.447 -5.295 1.00 0.00 H new ATOM 0 HB3 GLN A 52 8.620 -7.726 -4.189 1.00 0.00 H new ATOM 0 HG2 GLN A 52 10.061 -8.169 -6.613 1.00 0.00 H new ATOM 0 HG3 GLN A 52 10.188 -6.459 -6.247 1.00 0.00 H new ATOM 0 HE21 GLN A 52 10.949 -9.729 -5.202 1.00 0.00 H new ATOM 0 HE22 GLN A 52 12.090 -9.280 -3.930 1.00 0.00 H new ATOM 859 N GLN A 53 5.355 -7.915 -5.322 1.00 0.00 N ATOM 860 CA GLN A 53 4.120 -8.076 -4.562 1.00 0.00 C ATOM 861 C GLN A 53 3.398 -9.361 -4.957 1.00 0.00 C ATOM 862 O GLN A 53 2.798 -10.030 -4.116 1.00 0.00 O ATOM 863 CB GLN A 53 3.201 -6.872 -4.781 1.00 0.00 C ATOM 864 CG GLN A 53 3.366 -5.784 -3.732 1.00 0.00 C ATOM 865 CD GLN A 53 2.594 -4.524 -4.073 1.00 0.00 C ATOM 866 OE1 GLN A 53 1.523 -4.583 -4.678 1.00 0.00 O ATOM 867 NE2 GLN A 53 3.136 -3.376 -3.686 1.00 0.00 N ATOM 0 H GLN A 53 5.330 -7.165 -6.013 1.00 0.00 H new ATOM 0 HA GLN A 53 4.380 -8.139 -3.505 1.00 0.00 H new ATOM 0 HB2 GLN A 53 3.398 -6.449 -5.766 1.00 0.00 H new ATOM 0 HB3 GLN A 53 2.165 -7.211 -4.781 1.00 0.00 H new ATOM 0 HG2 GLN A 53 3.030 -6.161 -2.766 1.00 0.00 H new ATOM 0 HG3 GLN A 53 4.424 -5.541 -3.629 1.00 0.00 H new ATOM 0 HE21 GLN A 53 4.026 -3.375 -3.187 1.00 0.00 H new ATOM 0 HE22 GLN A 53 2.663 -2.495 -3.888 1.00 0.00 H new ATOM 876 N LEU A 54 3.457 -9.697 -6.242 1.00 0.00 N ATOM 877 CA LEU A 54 2.807 -10.901 -6.746 1.00 0.00 C ATOM 878 C LEU A 54 3.837 -11.963 -7.123 1.00 0.00 C ATOM 879 O LEU A 54 3.778 -12.545 -8.205 1.00 0.00 O ATOM 880 CB LEU A 54 1.935 -10.565 -7.957 1.00 0.00 C ATOM 881 CG LEU A 54 0.784 -9.598 -7.679 1.00 0.00 C ATOM 882 CD1 LEU A 54 0.396 -8.852 -8.945 1.00 0.00 C ATOM 883 CD2 LEU A 54 -0.414 -10.344 -7.110 1.00 0.00 C ATOM 0 H LEU A 54 3.948 -9.153 -6.952 1.00 0.00 H new ATOM 0 HA LEU A 54 2.177 -11.302 -5.952 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.569 -10.137 -8.734 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.522 -11.491 -8.356 1.00 0.00 H new ATOM 0 HG LEU A 54 1.118 -8.870 -6.940 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.425 -8.168 -8.727 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.253 -8.286 -9.311 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.081 -9.566 -9.706 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.224 -9.640 -6.918 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.748 -11.095 -7.826 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.129 -10.832 -6.178 1.00 0.00 H new ATOM 895 N LYS A 55 4.781 -12.210 -6.219 1.00 0.00 N ATOM 896 CA LYS A 55 5.823 -13.202 -6.457 1.00 0.00 C ATOM 897 C LYS A 55 5.602 -14.440 -5.593 1.00 0.00 C ATOM 898 O LYS A 55 6.552 -15.128 -5.220 1.00 0.00 O ATOM 899 CB LYS A 55 7.202 -12.601 -6.172 1.00 0.00 C ATOM 900 CG LYS A 55 8.054 -12.419 -7.419 1.00 0.00 C ATOM 901 CD LYS A 55 9.387 -11.763 -7.091 1.00 0.00 C ATOM 902 CE LYS A 55 10.499 -12.792 -6.973 1.00 0.00 C ATOM 903 NZ LYS A 55 11.827 -12.152 -6.765 1.00 0.00 N ATOM 0 H LYS A 55 4.845 -11.738 -5.317 1.00 0.00 H new ATOM 0 HA LYS A 55 5.776 -13.501 -7.504 1.00 0.00 H new ATOM 0 HB2 LYS A 55 7.075 -11.635 -5.684 1.00 0.00 H new ATOM 0 HB3 LYS A 55 7.732 -13.245 -5.470 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.229 -13.388 -7.886 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.515 -11.809 -8.144 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.639 -11.040 -7.867 1.00 0.00 H new ATOM 0 HD3 LYS A 55 9.301 -11.209 -6.156 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.285 -13.464 -6.142 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.527 -13.402 -7.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 12.559 -12.887 -6.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 12.043 -11.530 -7.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 11.809 -11.591 -5.890 1.00 0.00 H new ATOM 917 N ALA A 56 4.340 -14.719 -5.282 1.00 0.00 N ATOM 918 CA ALA A 56 3.991 -15.875 -4.464 1.00 0.00 C ATOM 919 C ALA A 56 3.036 -16.802 -5.208 1.00 0.00 C ATOM 920 O ALA A 56 3.175 -18.025 -5.155 1.00 0.00 O ATOM 921 CB ALA A 56 3.376 -15.424 -3.149 1.00 0.00 C ATOM 0 H ALA A 56 3.542 -14.160 -5.584 1.00 0.00 H new ATOM 0 HA ALA A 56 4.905 -16.430 -4.252 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.120 -16.297 -2.549 1.00 0.00 H new ATOM 0 HB2 ALA A 56 4.091 -14.807 -2.606 1.00 0.00 H new ATOM 0 HB3 ALA A 56 2.475 -14.844 -3.349 1.00 0.00 H new ATOM 927 N ARG A 57 2.067 -16.213 -5.899 1.00 0.00 N ATOM 928 CA ARG A 57 1.087 -16.985 -6.655 1.00 0.00 C ATOM 929 C ARG A 57 1.686 -17.494 -7.962 1.00 0.00 C ATOM 930 O ARG A 57 1.411 -18.616 -8.386 1.00 0.00 O ATOM 931 CB ARG A 57 -0.150 -16.135 -6.945 1.00 0.00 C ATOM 932 CG ARG A 57 -1.173 -16.146 -5.821 1.00 0.00 C ATOM 933 CD ARG A 57 -2.572 -15.850 -6.338 1.00 0.00 C ATOM 934 NE ARG A 57 -3.583 -15.983 -5.292 1.00 0.00 N ATOM 935 CZ ARG A 57 -3.820 -15.054 -4.368 1.00 0.00 C ATOM 936 NH1 ARG A 57 -3.122 -13.926 -4.357 1.00 0.00 N ATOM 937 NH2 ARG A 57 -4.760 -15.255 -3.453 1.00 0.00 N ATOM 0 H ARG A 57 1.939 -15.202 -5.952 1.00 0.00 H new ATOM 0 HA ARG A 57 0.795 -17.844 -6.051 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.161 -15.107 -7.132 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -0.622 -16.496 -7.859 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -1.164 -17.119 -5.329 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -0.898 -15.406 -5.070 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -2.602 -14.839 -6.744 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -2.807 -16.530 -7.157 1.00 0.00 H new ATOM 0 HE ARG A 57 -4.140 -16.837 -5.268 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -2.399 -13.767 -5.059 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -3.308 -13.218 -3.647 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -5.300 -16.120 -3.458 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -4.942 -14.544 -2.745 1.00 0.00 H new ATOM 951 N PHE A 58 2.508 -16.662 -8.595 1.00 0.00 N ATOM 952 CA PHE A 58 3.145 -17.030 -9.855 1.00 0.00 C ATOM 953 C PHE A 58 4.091 -15.931 -10.329 1.00 0.00 C ATOM 954 O PHE A 58 4.342 -14.962 -9.612 1.00 0.00 O ATOM 955 CB PHE A 58 2.086 -17.306 -10.925 1.00 0.00 C ATOM 956 CG PHE A 58 1.291 -16.093 -11.315 1.00 0.00 C ATOM 957 CD1 PHE A 58 0.488 -15.447 -10.389 1.00 0.00 C ATOM 958 CD2 PHE A 58 1.347 -15.598 -12.609 1.00 0.00 C ATOM 959 CE1 PHE A 58 -0.244 -14.330 -10.744 1.00 0.00 C ATOM 960 CE2 PHE A 58 0.617 -14.482 -12.971 1.00 0.00 C ATOM 961 CZ PHE A 58 -0.180 -13.848 -12.037 1.00 0.00 C ATOM 0 H PHE A 58 2.748 -15.730 -8.257 1.00 0.00 H new ATOM 0 HA PHE A 58 3.727 -17.936 -9.688 1.00 0.00 H new ATOM 0 HB2 PHE A 58 2.575 -17.710 -11.812 1.00 0.00 H new ATOM 0 HB3 PHE A 58 1.404 -18.074 -10.559 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.433 -15.821 -9.377 1.00 0.00 H new ATOM 0 HD2 PHE A 58 1.968 -16.090 -13.342 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -0.865 -13.835 -10.012 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.669 -14.106 -13.982 1.00 0.00 H new ATOM 0 HZ PHE A 58 -0.752 -12.976 -12.318 1.00 0.00 H new ATOM 971 N LEU A 59 4.613 -16.088 -11.541 1.00 0.00 N ATOM 972 CA LEU A 59 5.531 -15.112 -12.113 1.00 0.00 C ATOM 973 C LEU A 59 4.780 -14.101 -12.980 1.00 0.00 C ATOM 974 O LEU A 59 4.394 -14.409 -14.107 1.00 0.00 O ATOM 975 CB LEU A 59 6.603 -15.816 -12.947 1.00 0.00 C ATOM 976 CG LEU A 59 7.270 -17.012 -12.264 1.00 0.00 C ATOM 977 CD1 LEU A 59 7.780 -18.001 -13.301 1.00 0.00 C ATOM 978 CD2 LEU A 59 8.405 -16.545 -11.366 1.00 0.00 C ATOM 0 H LEU A 59 4.415 -16.884 -12.147 1.00 0.00 H new ATOM 0 HA LEU A 59 6.010 -14.578 -11.293 1.00 0.00 H new ATOM 0 HB2 LEU A 59 6.152 -16.154 -13.880 1.00 0.00 H new ATOM 0 HB3 LEU A 59 7.373 -15.090 -13.209 1.00 0.00 H new ATOM 0 HG LEU A 59 6.527 -17.516 -11.646 1.00 0.00 H new ATOM 0 HD11 LEU A 59 8.251 -18.845 -12.798 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.946 -18.358 -13.904 1.00 0.00 H new ATOM 0 HD13 LEU A 59 8.509 -17.509 -13.945 1.00 0.00 H new ATOM 0 HD21 LEU A 59 8.869 -17.408 -10.888 1.00 0.00 H new ATOM 0 HD22 LEU A 59 9.149 -16.018 -11.964 1.00 0.00 H new ATOM 0 HD23 LEU A 59 8.012 -15.874 -10.602 1.00 0.00 H new ATOM 990 N PRO A 60 4.561 -12.876 -12.466 1.00 0.00 N ATOM 991 CA PRO A 60 3.850 -11.828 -13.208 1.00 0.00 C ATOM 992 C PRO A 60 4.638 -11.341 -14.419 1.00 0.00 C ATOM 993 O PRO A 60 4.079 -11.143 -15.497 1.00 0.00 O ATOM 994 CB PRO A 60 3.696 -10.701 -12.182 1.00 0.00 C ATOM 995 CG PRO A 60 4.792 -10.927 -11.200 1.00 0.00 C ATOM 996 CD PRO A 60 4.983 -12.416 -11.130 1.00 0.00 C ATOM 0 HA PRO A 60 2.902 -12.187 -13.609 1.00 0.00 H new ATOM 0 HB2 PRO A 60 3.783 -9.722 -12.654 1.00 0.00 H new ATOM 0 HB3 PRO A 60 2.719 -10.736 -11.699 1.00 0.00 H new ATOM 0 HG2 PRO A 60 5.709 -10.430 -11.517 1.00 0.00 H new ATOM 0 HG3 PRO A 60 4.531 -10.521 -10.223 1.00 0.00 H new ATOM 0 HD2 PRO A 60 6.020 -12.679 -10.923 1.00 0.00 H new ATOM 0 HD3 PRO A 60 4.378 -12.862 -10.341 1.00 0.00 H new ATOM 1004 N SER A 61 5.941 -11.153 -14.236 1.00 0.00 N ATOM 1005 CA SER A 61 6.809 -10.690 -15.313 1.00 0.00 C ATOM 1006 C SER A 61 6.413 -9.286 -15.769 1.00 0.00 C ATOM 1007 O SER A 61 5.258 -9.042 -16.117 1.00 0.00 O ATOM 1008 CB SER A 61 6.747 -11.659 -16.497 1.00 0.00 C ATOM 1009 OG SER A 61 6.809 -13.005 -16.060 1.00 0.00 O ATOM 0 H SER A 61 6.420 -11.315 -13.350 1.00 0.00 H new ATOM 0 HA SER A 61 7.830 -10.654 -14.933 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.825 -11.497 -17.055 1.00 0.00 H new ATOM 0 HB3 SER A 61 7.572 -11.457 -17.180 1.00 0.00 H new ATOM 0 HG SER A 61 6.766 -13.603 -16.835 1.00 0.00 H new ATOM 1015 N PRO A 62 7.369 -8.337 -15.775 1.00 0.00 N ATOM 1016 CA PRO A 62 7.106 -6.955 -16.193 1.00 0.00 C ATOM 1017 C PRO A 62 6.448 -6.877 -17.565 1.00 0.00 C ATOM 1018 O PRO A 62 5.728 -5.924 -17.865 1.00 0.00 O ATOM 1019 CB PRO A 62 8.499 -6.327 -16.239 1.00 0.00 C ATOM 1020 CG PRO A 62 9.311 -7.134 -15.288 1.00 0.00 C ATOM 1021 CD PRO A 62 8.776 -8.534 -15.377 1.00 0.00 C ATOM 0 HA PRO A 62 6.416 -6.452 -15.516 1.00 0.00 H new ATOM 0 HB2 PRO A 62 8.916 -6.363 -17.245 1.00 0.00 H new ATOM 0 HB3 PRO A 62 8.470 -5.278 -15.944 1.00 0.00 H new ATOM 0 HG2 PRO A 62 10.368 -7.102 -15.552 1.00 0.00 H new ATOM 0 HG3 PRO A 62 9.224 -6.746 -14.273 1.00 0.00 H new ATOM 0 HD2 PRO A 62 9.322 -9.127 -16.111 1.00 0.00 H new ATOM 0 HD3 PRO A 62 8.855 -9.056 -14.423 1.00 0.00 H new ATOM 1029 N VAL A 63 6.703 -7.884 -18.396 1.00 0.00 N ATOM 1030 CA VAL A 63 6.141 -7.935 -19.745 1.00 0.00 C ATOM 1031 C VAL A 63 4.660 -7.566 -19.750 1.00 0.00 C ATOM 1032 O VAL A 63 4.270 -6.536 -20.299 1.00 0.00 O ATOM 1033 CB VAL A 63 6.310 -9.334 -20.369 1.00 0.00 C ATOM 1034 CG1 VAL A 63 5.895 -9.322 -21.832 1.00 0.00 C ATOM 1035 CG2 VAL A 63 7.745 -9.816 -20.219 1.00 0.00 C ATOM 0 H VAL A 63 7.297 -8.679 -18.159 1.00 0.00 H new ATOM 0 HA VAL A 63 6.691 -7.206 -20.339 1.00 0.00 H new ATOM 0 HB VAL A 63 5.660 -10.028 -19.837 1.00 0.00 H new ATOM 0 HG11 VAL A 63 6.022 -10.319 -22.254 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.849 -9.025 -21.911 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.516 -8.614 -22.381 1.00 0.00 H new ATOM 0 HG21 VAL A 63 7.845 -10.805 -20.665 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.417 -9.121 -20.723 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.003 -9.868 -19.161 1.00 0.00 H new ATOM 1045 N VAL A 64 3.839 -8.412 -19.136 1.00 0.00 N ATOM 1046 CA VAL A 64 2.404 -8.170 -19.070 1.00 0.00 C ATOM 1047 C VAL A 64 2.105 -6.854 -18.360 1.00 0.00 C ATOM 1048 O VAL A 64 1.177 -6.135 -18.730 1.00 0.00 O ATOM 1049 CB VAL A 64 1.674 -9.313 -18.340 1.00 0.00 C ATOM 1050 CG1 VAL A 64 1.776 -10.605 -19.135 1.00 0.00 C ATOM 1051 CG2 VAL A 64 2.233 -9.494 -16.938 1.00 0.00 C ATOM 0 H VAL A 64 4.144 -9.271 -18.677 1.00 0.00 H new ATOM 0 HA VAL A 64 2.042 -8.118 -20.097 1.00 0.00 H new ATOM 0 HB VAL A 64 0.620 -9.050 -18.254 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.255 -11.401 -18.604 1.00 0.00 H new ATOM 0 HG12 VAL A 64 1.322 -10.465 -20.116 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.825 -10.876 -19.256 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.705 -10.306 -16.438 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.295 -9.734 -16.998 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.101 -8.572 -16.372 1.00 0.00 H new ATOM 1061 N ILE A 65 2.900 -6.543 -17.341 1.00 0.00 N ATOM 1062 CA ILE A 65 2.726 -5.312 -16.580 1.00 0.00 C ATOM 1063 C ILE A 65 2.821 -4.089 -17.490 1.00 0.00 C ATOM 1064 O ILE A 65 2.047 -3.142 -17.355 1.00 0.00 O ATOM 1065 CB ILE A 65 3.777 -5.204 -15.451 1.00 0.00 C ATOM 1066 CG1 ILE A 65 3.503 -6.255 -14.373 1.00 0.00 C ATOM 1067 CG2 ILE A 65 3.782 -3.807 -14.842 1.00 0.00 C ATOM 1068 CD1 ILE A 65 4.751 -6.731 -13.662 1.00 0.00 C ATOM 0 H ILE A 65 3.672 -7.128 -17.023 1.00 0.00 H new ATOM 0 HA ILE A 65 1.732 -5.342 -16.133 1.00 0.00 H new ATOM 0 HB ILE A 65 4.761 -5.388 -15.881 1.00 0.00 H new ATOM 0 HG12 ILE A 65 2.813 -5.839 -13.639 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.006 -7.111 -14.829 1.00 0.00 H new ATOM 0 HG21 ILE A 65 4.530 -3.758 -14.051 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.021 -3.075 -15.613 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.799 -3.588 -14.426 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.481 -7.474 -12.912 1.00 0.00 H new ATOM 0 HD12 ILE A 65 5.434 -7.177 -14.385 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.238 -5.885 -13.176 1.00 0.00 H new ATOM 1080 N LYS A 66 3.775 -4.117 -18.415 1.00 0.00 N ATOM 1081 CA LYS A 66 3.969 -3.009 -19.344 1.00 0.00 C ATOM 1082 C LYS A 66 2.710 -2.766 -20.172 1.00 0.00 C ATOM 1083 O LYS A 66 2.258 -1.630 -20.312 1.00 0.00 O ATOM 1084 CB LYS A 66 5.159 -3.292 -20.266 1.00 0.00 C ATOM 1085 CG LYS A 66 6.364 -2.407 -19.991 1.00 0.00 C ATOM 1086 CD LYS A 66 6.893 -1.768 -21.266 1.00 0.00 C ATOM 1087 CE LYS A 66 5.975 -0.660 -21.755 1.00 0.00 C ATOM 1088 NZ LYS A 66 6.730 0.425 -22.440 1.00 0.00 N ATOM 0 H LYS A 66 4.425 -4.893 -18.541 1.00 0.00 H new ATOM 0 HA LYS A 66 4.176 -2.110 -18.763 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.453 -4.336 -20.157 1.00 0.00 H new ATOM 0 HB3 LYS A 66 4.847 -3.155 -21.301 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.089 -1.628 -19.280 1.00 0.00 H new ATOM 0 HG3 LYS A 66 7.152 -2.999 -19.526 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.889 -1.364 -21.086 1.00 0.00 H new ATOM 0 HD3 LYS A 66 6.993 -2.528 -22.041 1.00 0.00 H new ATOM 0 HE2 LYS A 66 5.236 -1.076 -22.440 1.00 0.00 H new ATOM 0 HE3 LYS A 66 5.427 -0.243 -20.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.068 1.161 -22.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 7.418 0.840 -21.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 7.233 0.033 -23.262 1.00 0.00 H new ATOM 1102 N LYS A 67 2.152 -3.840 -20.719 1.00 0.00 N ATOM 1103 CA LYS A 67 0.946 -3.744 -21.534 1.00 0.00 C ATOM 1104 C LYS A 67 -0.229 -3.225 -20.709 1.00 0.00 C ATOM 1105 O LYS A 67 -1.031 -2.424 -21.189 1.00 0.00 O ATOM 1106 CB LYS A 67 0.600 -5.108 -22.134 1.00 0.00 C ATOM 1107 CG LYS A 67 -0.028 -5.023 -23.516 1.00 0.00 C ATOM 1108 CD LYS A 67 0.913 -5.544 -24.592 1.00 0.00 C ATOM 1109 CE LYS A 67 1.619 -4.407 -25.313 1.00 0.00 C ATOM 1110 NZ LYS A 67 1.925 -4.753 -26.729 1.00 0.00 N ATOM 0 H LYS A 67 2.515 -4.787 -20.613 1.00 0.00 H new ATOM 0 HA LYS A 67 1.139 -3.038 -22.342 1.00 0.00 H new ATOM 0 HB2 LYS A 67 1.506 -5.710 -22.192 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -0.085 -5.627 -21.464 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -0.954 -5.598 -23.532 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -0.292 -3.988 -23.733 1.00 0.00 H new ATOM 0 HD2 LYS A 67 1.653 -6.205 -24.141 1.00 0.00 H new ATOM 0 HD3 LYS A 67 0.351 -6.139 -25.312 1.00 0.00 H new ATOM 0 HE2 LYS A 67 0.993 -3.515 -25.284 1.00 0.00 H new ATOM 0 HE3 LYS A 67 2.544 -4.165 -24.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 2.406 -3.952 -27.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 2.543 -5.589 -26.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 1.040 -4.960 -27.235 1.00 0.00 H new ATOM 1124 N ARG A 68 -0.323 -3.689 -19.467 1.00 0.00 N ATOM 1125 CA ARG A 68 -1.399 -3.274 -18.575 1.00 0.00 C ATOM 1126 C ARG A 68 -1.378 -1.764 -18.358 1.00 0.00 C ATOM 1127 O ARG A 68 -2.418 -1.107 -18.389 1.00 0.00 O ATOM 1128 CB ARG A 68 -1.282 -3.995 -17.231 1.00 0.00 C ATOM 1129 CG ARG A 68 -1.489 -5.498 -17.329 1.00 0.00 C ATOM 1130 CD ARG A 68 -2.962 -5.850 -17.452 1.00 0.00 C ATOM 1131 NE ARG A 68 -3.472 -5.608 -18.799 1.00 0.00 N ATOM 1132 CZ ARG A 68 -4.767 -5.574 -19.107 1.00 0.00 C ATOM 1133 NH1 ARG A 68 -5.684 -5.762 -18.167 1.00 0.00 N ATOM 1134 NH2 ARG A 68 -5.145 -5.349 -20.357 1.00 0.00 N ATOM 0 H ARG A 68 0.333 -4.353 -19.056 1.00 0.00 H new ATOM 0 HA ARG A 68 -2.346 -3.541 -19.043 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.297 -3.799 -16.807 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.015 -3.580 -16.540 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.948 -5.885 -18.192 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -1.070 -5.982 -16.447 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -3.107 -6.899 -17.193 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -3.536 -5.262 -16.736 1.00 0.00 H new ATOM 0 HE ARG A 68 -2.796 -5.456 -19.548 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -5.398 -5.934 -17.203 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -6.675 -5.735 -18.408 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -4.444 -5.202 -21.083 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -6.137 -5.323 -20.593 1.00 0.00 H new ATOM 1148 N ILE A 69 -0.185 -1.220 -18.136 1.00 0.00 N ATOM 1149 CA ILE A 69 -0.029 0.213 -17.914 1.00 0.00 C ATOM 1150 C ILE A 69 -0.526 1.010 -19.116 1.00 0.00 C ATOM 1151 O ILE A 69 -1.199 2.029 -18.962 1.00 0.00 O ATOM 1152 CB ILE A 69 1.441 0.583 -17.632 1.00 0.00 C ATOM 1153 CG1 ILE A 69 1.982 -0.239 -16.460 1.00 0.00 C ATOM 1154 CG2 ILE A 69 1.571 2.072 -17.342 1.00 0.00 C ATOM 1155 CD1 ILE A 69 3.467 -0.509 -16.546 1.00 0.00 C ATOM 0 H ILE A 69 0.686 -1.749 -18.105 1.00 0.00 H new ATOM 0 HA ILE A 69 -0.630 0.467 -17.040 1.00 0.00 H new ATOM 0 HB ILE A 69 2.031 0.353 -18.519 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.770 0.287 -15.529 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.450 -1.189 -16.417 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.615 2.315 -17.145 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.222 2.642 -18.203 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.969 2.327 -16.470 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.781 -1.096 -15.683 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.684 -1.063 -17.460 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.009 0.437 -16.558 1.00 0.00 H new ATOM 1167 N GLU A 70 -0.190 0.538 -20.312 1.00 0.00 N ATOM 1168 CA GLU A 70 -0.602 1.207 -21.541 1.00 0.00 C ATOM 1169 C GLU A 70 -2.123 1.292 -21.632 1.00 0.00 C ATOM 1170 O GLU A 70 -2.668 2.258 -22.165 1.00 0.00 O ATOM 1171 CB GLU A 70 -0.047 0.463 -22.757 1.00 0.00 C ATOM 1172 CG GLU A 70 0.189 1.359 -23.962 1.00 0.00 C ATOM 1173 CD GLU A 70 1.084 2.540 -23.643 1.00 0.00 C ATOM 1174 OE1 GLU A 70 2.311 2.340 -23.516 1.00 0.00 O ATOM 1175 OE2 GLU A 70 0.558 3.667 -23.520 1.00 0.00 O ATOM 0 H GLU A 70 0.366 -0.305 -20.456 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.201 2.221 -21.527 1.00 0.00 H new ATOM 0 HB2 GLU A 70 0.892 -0.017 -22.482 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -0.741 -0.331 -23.035 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.639 0.773 -24.764 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.769 1.723 -24.333 1.00 0.00 H new ATOM 1182 N GLY A 71 -2.799 0.276 -21.108 1.00 0.00 N ATOM 1183 CA GLY A 71 -4.250 0.256 -21.142 1.00 0.00 C ATOM 1184 C GLY A 71 -4.868 1.145 -20.081 1.00 0.00 C ATOM 1185 O GLY A 71 -5.974 1.657 -20.259 1.00 0.00 O ATOM 0 H GLY A 71 -2.369 -0.534 -20.661 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -4.592 0.578 -22.126 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -4.599 -0.767 -21.003 1.00 0.00 H new ATOM 1189 N LEU A 72 -4.154 1.331 -18.976 1.00 0.00 N ATOM 1190 CA LEU A 72 -4.641 2.165 -17.883 1.00 0.00 C ATOM 1191 C LEU A 72 -4.650 3.637 -18.284 1.00 0.00 C ATOM 1192 O LEU A 72 -5.636 4.343 -18.071 1.00 0.00 O ATOM 1193 CB LEU A 72 -3.775 1.968 -16.638 1.00 0.00 C ATOM 1194 CG LEU A 72 -3.812 0.561 -16.040 1.00 0.00 C ATOM 1195 CD1 LEU A 72 -2.643 0.354 -15.090 1.00 0.00 C ATOM 1196 CD2 LEU A 72 -5.133 0.321 -15.324 1.00 0.00 C ATOM 0 H LEU A 72 -3.237 0.916 -18.813 1.00 0.00 H new ATOM 0 HA LEU A 72 -5.664 1.863 -17.656 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.743 2.212 -16.890 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -4.094 2.679 -15.876 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.725 -0.161 -16.852 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.686 -0.653 -14.674 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.706 0.483 -15.632 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.698 1.083 -14.282 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.142 -0.685 -14.905 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.250 1.050 -14.522 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.955 0.426 -16.032 1.00 0.00 H new ATOM 1208 N ILE A 73 -3.549 4.095 -18.869 1.00 0.00 N ATOM 1209 CA ILE A 73 -3.437 5.483 -19.301 1.00 0.00 C ATOM 1210 C ILE A 73 -4.555 5.839 -20.277 1.00 0.00 C ATOM 1211 O ILE A 73 -5.142 6.919 -20.199 1.00 0.00 O ATOM 1212 CB ILE A 73 -2.076 5.761 -19.970 1.00 0.00 C ATOM 1213 CG1 ILE A 73 -0.932 5.321 -19.053 1.00 0.00 C ATOM 1214 CG2 ILE A 73 -1.944 7.239 -20.315 1.00 0.00 C ATOM 1215 CD1 ILE A 73 0.443 5.581 -19.632 1.00 0.00 C ATOM 0 H ILE A 73 -2.723 3.527 -19.055 1.00 0.00 H new ATOM 0 HA ILE A 73 -3.521 6.102 -18.408 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.020 5.185 -20.894 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.020 5.842 -18.100 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.034 4.256 -18.844 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -0.978 7.418 -20.786 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.741 7.525 -21.001 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.019 7.833 -19.404 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.204 5.244 -18.928 1.00 0.00 H new ATOM 0 HD12 ILE A 73 0.551 5.038 -20.571 1.00 0.00 H new ATOM 0 HD13 ILE A 73 0.565 6.649 -19.815 1.00 0.00 H new ATOM 1227 N GLU A 74 -4.846 4.920 -21.191 1.00 0.00 N ATOM 1228 CA GLU A 74 -5.895 5.131 -22.181 1.00 0.00 C ATOM 1229 C GLU A 74 -7.279 4.982 -21.553 1.00 0.00 C ATOM 1230 O GLU A 74 -8.264 5.510 -22.069 1.00 0.00 O ATOM 1231 CB GLU A 74 -5.735 4.142 -23.340 1.00 0.00 C ATOM 1232 CG GLU A 74 -5.737 4.804 -24.708 1.00 0.00 C ATOM 1233 CD GLU A 74 -4.565 5.747 -24.900 1.00 0.00 C ATOM 1234 OE1 GLU A 74 -3.409 5.284 -24.803 1.00 0.00 O ATOM 1235 OE2 GLU A 74 -4.803 6.948 -25.147 1.00 0.00 O ATOM 0 H GLU A 74 -4.370 4.021 -21.267 1.00 0.00 H new ATOM 0 HA GLU A 74 -5.801 6.147 -22.563 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -4.802 3.593 -23.212 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -6.543 3.411 -23.298 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -5.710 4.035 -25.480 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -6.668 5.355 -24.840 1.00 0.00 H new ATOM 1242 N ARG A 75 -7.348 4.259 -20.437 1.00 0.00 N ATOM 1243 CA ARG A 75 -8.615 4.043 -19.745 1.00 0.00 C ATOM 1244 C ARG A 75 -8.842 5.097 -18.661 1.00 0.00 C ATOM 1245 O ARG A 75 -9.676 4.914 -17.774 1.00 0.00 O ATOM 1246 CB ARG A 75 -8.648 2.645 -19.127 1.00 0.00 C ATOM 1247 CG ARG A 75 -8.954 1.544 -20.129 1.00 0.00 C ATOM 1248 CD ARG A 75 -8.661 0.168 -19.555 1.00 0.00 C ATOM 1249 NE ARG A 75 -9.872 -0.498 -19.085 1.00 0.00 N ATOM 1250 CZ ARG A 75 -9.965 -1.809 -18.878 1.00 0.00 C ATOM 1251 NH1 ARG A 75 -8.921 -2.599 -19.099 1.00 0.00 N ATOM 1252 NH2 ARG A 75 -11.105 -2.334 -18.450 1.00 0.00 N ATOM 0 H ARG A 75 -6.544 3.814 -19.994 1.00 0.00 H new ATOM 0 HA ARG A 75 -9.416 4.131 -20.479 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -7.685 2.441 -18.659 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -9.398 2.624 -18.336 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -10.002 1.600 -20.424 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -8.361 1.697 -21.031 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -8.181 -0.447 -20.316 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -7.956 0.262 -18.729 1.00 0.00 H new ATOM 0 HE ARG A 75 -10.696 0.076 -18.905 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -8.042 -2.202 -19.429 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -8.998 -3.603 -18.938 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -11.911 -1.733 -18.279 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -11.176 -3.339 -18.291 1.00 0.00 H new ATOM 1266 N GLU A 76 -8.103 6.201 -18.740 1.00 0.00 N ATOM 1267 CA GLU A 76 -8.235 7.280 -17.767 1.00 0.00 C ATOM 1268 C GLU A 76 -7.871 6.808 -16.361 1.00 0.00 C ATOM 1269 O GLU A 76 -8.360 7.352 -15.370 1.00 0.00 O ATOM 1270 CB GLU A 76 -9.662 7.834 -17.780 1.00 0.00 C ATOM 1271 CG GLU A 76 -9.821 9.086 -18.627 1.00 0.00 C ATOM 1272 CD GLU A 76 -11.219 9.667 -18.550 1.00 0.00 C ATOM 1273 OE1 GLU A 76 -12.127 9.115 -19.205 1.00 0.00 O ATOM 1274 OE2 GLU A 76 -11.404 10.674 -17.836 1.00 0.00 O ATOM 0 H GLU A 76 -7.408 6.371 -19.467 1.00 0.00 H new ATOM 0 HA GLU A 76 -7.540 8.071 -18.049 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -10.338 7.065 -18.153 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -9.966 8.056 -16.757 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -9.101 9.836 -18.299 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -9.586 8.851 -19.665 1.00 0.00 H new ATOM 1281 N TYR A 77 -7.009 5.800 -16.278 1.00 0.00 N ATOM 1282 CA TYR A 77 -6.582 5.269 -14.988 1.00 0.00 C ATOM 1283 C TYR A 77 -5.311 5.965 -14.514 1.00 0.00 C ATOM 1284 O TYR A 77 -5.256 6.489 -13.403 1.00 0.00 O ATOM 1285 CB TYR A 77 -6.351 3.759 -15.079 1.00 0.00 C ATOM 1286 CG TYR A 77 -7.583 2.938 -14.773 1.00 0.00 C ATOM 1287 CD1 TYR A 77 -8.574 2.755 -15.730 1.00 0.00 C ATOM 1288 CD2 TYR A 77 -7.755 2.347 -13.528 1.00 0.00 C ATOM 1289 CE1 TYR A 77 -9.703 2.007 -15.454 1.00 0.00 C ATOM 1290 CE2 TYR A 77 -8.881 1.596 -13.245 1.00 0.00 C ATOM 1291 CZ TYR A 77 -9.851 1.430 -14.210 1.00 0.00 C ATOM 1292 OH TYR A 77 -10.973 0.684 -13.932 1.00 0.00 O ATOM 0 H TYR A 77 -6.593 5.336 -17.085 1.00 0.00 H new ATOM 0 HA TYR A 77 -7.374 5.459 -14.264 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -6.001 3.513 -16.082 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -5.557 3.479 -14.387 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -8.460 3.205 -16.705 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -6.997 2.476 -12.769 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -10.465 1.875 -16.208 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -9.000 1.142 -12.272 1.00 0.00 H new ATOM 0 HH TYR A 77 -10.922 0.347 -13.013 1.00 0.00 H new ATOM 1302 N LEU A 78 -4.293 5.969 -15.368 1.00 0.00 N ATOM 1303 CA LEU A 78 -3.022 6.605 -15.041 1.00 0.00 C ATOM 1304 C LEU A 78 -2.681 7.689 -16.058 1.00 0.00 C ATOM 1305 O LEU A 78 -3.397 7.878 -17.042 1.00 0.00 O ATOM 1306 CB LEU A 78 -1.900 5.564 -14.993 1.00 0.00 C ATOM 1307 CG LEU A 78 -2.212 4.310 -14.173 1.00 0.00 C ATOM 1308 CD1 LEU A 78 -0.977 3.432 -14.050 1.00 0.00 C ATOM 1309 CD2 LEU A 78 -2.738 4.689 -12.796 1.00 0.00 C ATOM 0 H LEU A 78 -4.323 5.539 -16.292 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.119 7.068 -14.059 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.662 5.262 -16.013 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.006 6.034 -14.583 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.986 3.744 -14.692 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.218 2.545 -13.464 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -0.644 3.131 -15.043 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.182 3.989 -13.555 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -2.954 3.784 -12.228 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -1.987 5.278 -12.269 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.650 5.276 -12.904 1.00 0.00 H new ATOM 1321 N ALA A 79 -1.585 8.401 -15.814 1.00 0.00 N ATOM 1322 CA ALA A 79 -1.152 9.467 -16.710 1.00 0.00 C ATOM 1323 C ALA A 79 0.361 9.650 -16.655 1.00 0.00 C ATOM 1324 O ALA A 79 0.992 9.383 -15.632 1.00 0.00 O ATOM 1325 CB ALA A 79 -1.859 10.769 -16.360 1.00 0.00 C ATOM 0 H ALA A 79 -0.981 8.259 -15.004 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.419 9.184 -17.728 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.527 11.557 -17.036 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -2.936 10.636 -16.459 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.621 11.048 -15.334 1.00 0.00 H new ATOM 1331 N ARG A 80 0.938 10.107 -17.762 1.00 0.00 N ATOM 1332 CA ARG A 80 2.377 10.326 -17.839 1.00 0.00 C ATOM 1333 C ARG A 80 2.725 11.776 -17.520 1.00 0.00 C ATOM 1334 O ARG A 80 1.943 12.687 -17.791 1.00 0.00 O ATOM 1335 CB ARG A 80 2.894 9.961 -19.233 1.00 0.00 C ATOM 1336 CG ARG A 80 3.302 8.502 -19.368 1.00 0.00 C ATOM 1337 CD ARG A 80 4.572 8.352 -20.191 1.00 0.00 C ATOM 1338 NE ARG A 80 4.745 6.988 -20.686 1.00 0.00 N ATOM 1339 CZ ARG A 80 4.108 6.499 -21.749 1.00 0.00 C ATOM 1340 NH1 ARG A 80 3.258 7.257 -22.429 1.00 0.00 N ATOM 1341 NH2 ARG A 80 4.324 5.248 -22.132 1.00 0.00 N ATOM 0 H ARG A 80 0.431 10.333 -18.618 1.00 0.00 H new ATOM 0 HA ARG A 80 2.857 9.685 -17.100 1.00 0.00 H new ATOM 0 HB2 ARG A 80 2.120 10.183 -19.968 1.00 0.00 H new ATOM 0 HB3 ARG A 80 3.750 10.593 -19.471 1.00 0.00 H new ATOM 0 HG2 ARG A 80 3.456 8.073 -18.378 1.00 0.00 H new ATOM 0 HG3 ARG A 80 2.495 7.939 -19.837 1.00 0.00 H new ATOM 0 HD2 ARG A 80 4.542 9.043 -21.034 1.00 0.00 H new ATOM 0 HD3 ARG A 80 5.433 8.629 -19.583 1.00 0.00 H new ATOM 0 HE ARG A 80 5.391 6.375 -20.189 1.00 0.00 H new ATOM 0 HH11 ARG A 80 3.089 8.220 -22.139 1.00 0.00 H new ATOM 0 HH12 ARG A 80 2.773 6.877 -23.242 1.00 0.00 H new ATOM 0 HH21 ARG A 80 4.977 4.661 -21.613 1.00 0.00 H new ATOM 0 HH22 ARG A 80 3.837 4.872 -22.946 1.00 0.00 H new ATOM 1355 N THR A 81 3.904 11.983 -16.942 1.00 0.00 N ATOM 1356 CA THR A 81 4.355 13.324 -16.586 1.00 0.00 C ATOM 1357 C THR A 81 5.075 13.986 -17.759 1.00 0.00 C ATOM 1358 O THR A 81 5.669 13.308 -18.596 1.00 0.00 O ATOM 1359 CB THR A 81 5.283 13.267 -15.371 1.00 0.00 C ATOM 1360 OG1 THR A 81 6.480 12.578 -15.686 1.00 0.00 O ATOM 1361 CG2 THR A 81 4.660 12.581 -14.174 1.00 0.00 C ATOM 0 H THR A 81 4.564 11.240 -16.710 1.00 0.00 H new ATOM 0 HA THR A 81 3.478 13.921 -16.337 1.00 0.00 H new ATOM 0 HB THR A 81 5.482 14.307 -15.111 1.00 0.00 H new ATOM 0 HG1 THR A 81 6.424 12.226 -16.599 1.00 0.00 H new ATOM 0 HG21 THR A 81 5.371 12.575 -13.348 1.00 0.00 H new ATOM 0 HG22 THR A 81 3.760 13.118 -13.875 1.00 0.00 H new ATOM 0 HG23 THR A 81 4.400 11.556 -14.437 1.00 0.00 H new ATOM 1369 N PRO A 82 5.029 15.328 -17.834 1.00 0.00 N ATOM 1370 CA PRO A 82 5.680 16.081 -18.911 1.00 0.00 C ATOM 1371 C PRO A 82 7.200 16.028 -18.817 1.00 0.00 C ATOM 1372 O PRO A 82 7.898 16.059 -19.830 1.00 0.00 O ATOM 1373 CB PRO A 82 5.179 17.511 -18.701 1.00 0.00 C ATOM 1374 CG PRO A 82 4.837 17.584 -17.254 1.00 0.00 C ATOM 1375 CD PRO A 82 4.343 16.215 -16.876 1.00 0.00 C ATOM 0 HA PRO A 82 5.442 15.674 -19.894 1.00 0.00 H new ATOM 0 HB2 PRO A 82 5.944 18.241 -18.964 1.00 0.00 H new ATOM 0 HB3 PRO A 82 4.310 17.721 -19.324 1.00 0.00 H new ATOM 0 HG2 PRO A 82 5.708 17.862 -16.661 1.00 0.00 H new ATOM 0 HG3 PRO A 82 4.072 18.339 -17.071 1.00 0.00 H new ATOM 0 HD2 PRO A 82 4.597 15.967 -15.845 1.00 0.00 H new ATOM 0 HD3 PRO A 82 3.259 16.140 -16.964 1.00 0.00 H new ATOM 1383 N GLU A 83 7.709 15.949 -17.591 1.00 0.00 N ATOM 1384 CA GLU A 83 9.147 15.892 -17.361 1.00 0.00 C ATOM 1385 C GLU A 83 9.760 14.682 -18.059 1.00 0.00 C ATOM 1386 O GLU A 83 10.648 14.821 -18.900 1.00 0.00 O ATOM 1387 CB GLU A 83 9.443 15.835 -15.862 1.00 0.00 C ATOM 1388 CG GLU A 83 8.895 17.023 -15.088 1.00 0.00 C ATOM 1389 CD GLU A 83 9.061 16.869 -13.589 1.00 0.00 C ATOM 1390 OE1 GLU A 83 10.219 16.847 -13.119 1.00 0.00 O ATOM 1391 OE2 GLU A 83 8.035 16.770 -12.884 1.00 0.00 O ATOM 0 H GLU A 83 7.145 15.923 -16.741 1.00 0.00 H new ATOM 0 HA GLU A 83 9.593 16.795 -17.777 1.00 0.00 H new ATOM 0 HB2 GLU A 83 9.020 14.918 -15.451 1.00 0.00 H new ATOM 0 HB3 GLU A 83 10.522 15.782 -15.715 1.00 0.00 H new ATOM 0 HG2 GLU A 83 9.403 17.930 -15.415 1.00 0.00 H new ATOM 0 HG3 GLU A 83 7.838 17.148 -15.322 1.00 0.00 H new ATOM 1398 N ASP A 84 9.280 13.495 -17.703 1.00 0.00 N ATOM 1399 CA ASP A 84 9.780 12.259 -18.294 1.00 0.00 C ATOM 1400 C ASP A 84 8.627 11.341 -18.689 1.00 0.00 C ATOM 1401 O ASP A 84 7.517 11.466 -18.172 1.00 0.00 O ATOM 1402 CB ASP A 84 10.706 11.538 -17.313 1.00 0.00 C ATOM 1403 CG ASP A 84 11.822 12.434 -16.810 1.00 0.00 C ATOM 1404 OD1 ASP A 84 11.535 13.345 -16.005 1.00 0.00 O ATOM 1405 OD2 ASP A 84 12.983 12.222 -17.218 1.00 0.00 O ATOM 0 H ASP A 84 8.545 13.363 -17.008 1.00 0.00 H new ATOM 0 HA ASP A 84 10.342 12.516 -19.192 1.00 0.00 H new ATOM 0 HB2 ASP A 84 10.123 11.177 -16.466 1.00 0.00 H new ATOM 0 HB3 ASP A 84 11.137 10.663 -17.800 1.00 0.00 H new ATOM 1410 N ARG A 85 8.898 10.419 -19.606 1.00 0.00 N ATOM 1411 CA ARG A 85 7.882 9.481 -20.068 1.00 0.00 C ATOM 1412 C ARG A 85 7.993 8.147 -19.334 1.00 0.00 C ATOM 1413 O ARG A 85 7.539 7.115 -19.830 1.00 0.00 O ATOM 1414 CB ARG A 85 8.012 9.257 -21.577 1.00 0.00 C ATOM 1415 CG ARG A 85 7.390 10.365 -22.411 1.00 0.00 C ATOM 1416 CD ARG A 85 6.757 9.819 -23.681 1.00 0.00 C ATOM 1417 NE ARG A 85 5.786 10.748 -24.253 1.00 0.00 N ATOM 1418 CZ ARG A 85 5.090 10.505 -25.361 1.00 0.00 C ATOM 1419 NH1 ARG A 85 5.255 9.364 -26.019 1.00 0.00 N ATOM 1420 NH2 ARG A 85 4.228 11.405 -25.813 1.00 0.00 N ATOM 0 H ARG A 85 9.812 10.301 -20.044 1.00 0.00 H new ATOM 0 HA ARG A 85 6.904 9.912 -19.853 1.00 0.00 H new ATOM 0 HB2 ARG A 85 9.068 9.169 -21.833 1.00 0.00 H new ATOM 0 HB3 ARG A 85 7.541 8.309 -21.837 1.00 0.00 H new ATOM 0 HG2 ARG A 85 6.635 10.885 -21.822 1.00 0.00 H new ATOM 0 HG3 ARG A 85 8.153 11.099 -22.670 1.00 0.00 H new ATOM 0 HD2 ARG A 85 7.536 9.613 -24.414 1.00 0.00 H new ATOM 0 HD3 ARG A 85 6.266 8.871 -23.462 1.00 0.00 H new ATOM 0 HE ARG A 85 5.632 11.636 -23.775 1.00 0.00 H new ATOM 0 HH11 ARG A 85 5.918 8.669 -25.676 1.00 0.00 H new ATOM 0 HH12 ARG A 85 4.719 9.183 -26.868 1.00 0.00 H new ATOM 0 HH21 ARG A 85 4.098 12.284 -25.312 1.00 0.00 H new ATOM 0 HH22 ARG A 85 3.695 11.219 -26.662 1.00 0.00 H new ATOM 1434 N LYS A 86 8.596 8.175 -18.149 1.00 0.00 N ATOM 1435 CA LYS A 86 8.763 6.967 -17.347 1.00 0.00 C ATOM 1436 C LYS A 86 7.963 7.052 -16.048 1.00 0.00 C ATOM 1437 O LYS A 86 7.735 6.040 -15.385 1.00 0.00 O ATOM 1438 CB LYS A 86 10.243 6.740 -17.034 1.00 0.00 C ATOM 1439 CG LYS A 86 11.070 6.357 -18.250 1.00 0.00 C ATOM 1440 CD LYS A 86 12.541 6.680 -18.047 1.00 0.00 C ATOM 1441 CE LYS A 86 13.167 7.253 -19.309 1.00 0.00 C ATOM 1442 NZ LYS A 86 13.084 8.739 -19.343 1.00 0.00 N ATOM 0 H LYS A 86 8.977 9.020 -17.723 1.00 0.00 H new ATOM 0 HA LYS A 86 8.385 6.125 -17.926 1.00 0.00 H new ATOM 0 HB2 LYS A 86 10.656 7.648 -16.595 1.00 0.00 H new ATOM 0 HB3 LYS A 86 10.331 5.955 -16.283 1.00 0.00 H new ATOM 0 HG2 LYS A 86 10.954 5.292 -18.449 1.00 0.00 H new ATOM 0 HG3 LYS A 86 10.697 6.887 -19.126 1.00 0.00 H new ATOM 0 HD2 LYS A 86 12.648 7.394 -17.230 1.00 0.00 H new ATOM 0 HD3 LYS A 86 13.075 5.777 -17.753 1.00 0.00 H new ATOM 0 HE2 LYS A 86 14.211 6.946 -19.368 1.00 0.00 H new ATOM 0 HE3 LYS A 86 12.664 6.841 -20.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 13.521 9.091 -20.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 12.087 9.032 -19.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 13.586 9.134 -18.522 1.00 0.00 H new ATOM 1456 N VAL A 87 7.542 8.261 -15.686 1.00 0.00 N ATOM 1457 CA VAL A 87 6.771 8.467 -14.466 1.00 0.00 C ATOM 1458 C VAL A 87 5.274 8.441 -14.750 1.00 0.00 C ATOM 1459 O VAL A 87 4.818 8.937 -15.780 1.00 0.00 O ATOM 1460 CB VAL A 87 7.130 9.805 -13.792 1.00 0.00 C ATOM 1461 CG1 VAL A 87 6.504 9.893 -12.409 1.00 0.00 C ATOM 1462 CG2 VAL A 87 8.639 9.978 -13.715 1.00 0.00 C ATOM 0 H VAL A 87 7.722 9.111 -16.220 1.00 0.00 H new ATOM 0 HA VAL A 87 7.025 7.649 -13.792 1.00 0.00 H new ATOM 0 HB VAL A 87 6.726 10.615 -14.399 1.00 0.00 H new ATOM 0 HG11 VAL A 87 6.769 10.845 -11.949 1.00 0.00 H new ATOM 0 HG12 VAL A 87 5.420 9.821 -12.495 1.00 0.00 H new ATOM 0 HG13 VAL A 87 6.874 9.076 -11.790 1.00 0.00 H new ATOM 0 HG21 VAL A 87 8.872 10.929 -13.236 1.00 0.00 H new ATOM 0 HG22 VAL A 87 9.069 9.163 -13.133 1.00 0.00 H new ATOM 0 HG23 VAL A 87 9.058 9.966 -14.721 1.00 0.00 H new ATOM 1472 N TYR A 88 4.512 7.858 -13.830 1.00 0.00 N ATOM 1473 CA TYR A 88 3.065 7.768 -13.979 1.00 0.00 C ATOM 1474 C TYR A 88 2.355 8.446 -12.812 1.00 0.00 C ATOM 1475 O TYR A 88 2.960 8.708 -11.773 1.00 0.00 O ATOM 1476 CB TYR A 88 2.630 6.305 -14.075 1.00 0.00 C ATOM 1477 CG TYR A 88 3.239 5.567 -15.247 1.00 0.00 C ATOM 1478 CD1 TYR A 88 3.129 6.066 -16.539 1.00 0.00 C ATOM 1479 CD2 TYR A 88 3.924 4.373 -15.060 1.00 0.00 C ATOM 1480 CE1 TYR A 88 3.684 5.393 -17.612 1.00 0.00 C ATOM 1481 CE2 TYR A 88 4.483 3.697 -16.128 1.00 0.00 C ATOM 1482 CZ TYR A 88 4.359 4.211 -17.402 1.00 0.00 C ATOM 1483 OH TYR A 88 4.913 3.540 -18.467 1.00 0.00 O ATOM 0 H TYR A 88 4.874 7.441 -12.973 1.00 0.00 H new ATOM 0 HA TYR A 88 2.787 8.283 -14.899 1.00 0.00 H new ATOM 0 HB2 TYR A 88 2.903 5.792 -13.152 1.00 0.00 H new ATOM 0 HB3 TYR A 88 1.544 6.262 -14.154 1.00 0.00 H new ATOM 0 HD1 TYR A 88 2.602 6.993 -16.708 1.00 0.00 H new ATOM 0 HD2 TYR A 88 4.021 3.967 -14.064 1.00 0.00 H new ATOM 0 HE1 TYR A 88 3.589 5.793 -18.611 1.00 0.00 H new ATOM 0 HE2 TYR A 88 5.014 2.771 -15.966 1.00 0.00 H new ATOM 0 HH TYR A 88 5.354 2.726 -18.147 1.00 0.00 H new ATOM 1493 N THR A 89 1.068 8.726 -12.991 1.00 0.00 N ATOM 1494 CA THR A 89 0.277 9.374 -11.951 1.00 0.00 C ATOM 1495 C THR A 89 -1.128 8.780 -11.888 1.00 0.00 C ATOM 1496 O THR A 89 -1.718 8.447 -12.915 1.00 0.00 O ATOM 1497 CB THR A 89 0.196 10.880 -12.206 1.00 0.00 C ATOM 1498 OG1 THR A 89 -0.528 11.149 -13.395 1.00 0.00 O ATOM 1499 CG2 THR A 89 1.552 11.538 -12.335 1.00 0.00 C ATOM 0 H THR A 89 0.551 8.515 -13.845 1.00 0.00 H new ATOM 0 HA THR A 89 0.769 9.201 -10.994 1.00 0.00 H new ATOM 0 HB THR A 89 -0.309 11.295 -11.334 1.00 0.00 H new ATOM 0 HG1 THR A 89 -0.570 12.117 -13.540 1.00 0.00 H new ATOM 0 HG21 THR A 89 1.423 12.605 -12.515 1.00 0.00 H new ATOM 0 HG22 THR A 89 2.117 11.391 -11.414 1.00 0.00 H new ATOM 0 HG23 THR A 89 2.095 11.093 -13.169 1.00 0.00 H new ATOM 1507 N TYR A 90 -1.656 8.651 -10.676 1.00 0.00 N ATOM 1508 CA TYR A 90 -2.991 8.097 -10.479 1.00 0.00 C ATOM 1509 C TYR A 90 -4.062 9.148 -10.747 1.00 0.00 C ATOM 1510 O TYR A 90 -4.384 9.957 -9.878 1.00 0.00 O ATOM 1511 CB TYR A 90 -3.135 7.555 -9.055 1.00 0.00 C ATOM 1512 CG TYR A 90 -4.289 6.591 -8.889 1.00 0.00 C ATOM 1513 CD1 TYR A 90 -4.433 5.499 -9.733 1.00 0.00 C ATOM 1514 CD2 TYR A 90 -5.233 6.776 -7.886 1.00 0.00 C ATOM 1515 CE1 TYR A 90 -5.486 4.615 -9.585 1.00 0.00 C ATOM 1516 CE2 TYR A 90 -6.289 5.897 -7.731 1.00 0.00 C ATOM 1517 CZ TYR A 90 -6.411 4.819 -8.583 1.00 0.00 C ATOM 1518 OH TYR A 90 -7.460 3.942 -8.431 1.00 0.00 O ATOM 0 H TYR A 90 -1.181 8.922 -9.815 1.00 0.00 H new ATOM 0 HA TYR A 90 -3.126 7.280 -11.187 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -2.210 7.054 -8.770 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -3.269 8.391 -8.369 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -3.710 5.337 -10.519 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -5.140 7.619 -7.217 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -5.583 3.770 -10.250 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -7.015 6.054 -6.947 1.00 0.00 H new ATOM 0 HH TYR A 90 -8.019 4.228 -7.679 1.00 0.00 H new ATOM 1528 N VAL A 91 -4.612 9.129 -11.958 1.00 0.00 N ATOM 1529 CA VAL A 91 -5.648 10.080 -12.341 1.00 0.00 C ATOM 1530 C VAL A 91 -7.029 9.434 -12.308 1.00 0.00 C ATOM 1531 O VAL A 91 -7.918 9.807 -13.073 1.00 0.00 O ATOM 1532 CB VAL A 91 -5.397 10.648 -13.748 1.00 0.00 C ATOM 1533 CG1 VAL A 91 -4.180 11.562 -13.747 1.00 0.00 C ATOM 1534 CG2 VAL A 91 -5.228 9.520 -14.748 1.00 0.00 C ATOM 0 H VAL A 91 -4.357 8.466 -12.690 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.612 10.893 -11.616 1.00 0.00 H new ATOM 0 HB VAL A 91 -6.262 11.241 -14.045 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.019 11.954 -14.751 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.347 12.389 -13.057 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.302 10.998 -13.432 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.051 9.936 -15.740 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.379 8.901 -14.458 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -6.132 8.911 -14.766 1.00 0.00 H new ATOM 1544 N ALA A 92 -7.203 8.464 -11.417 1.00 0.00 N ATOM 1545 CA ALA A 92 -8.477 7.766 -11.286 1.00 0.00 C ATOM 1546 C ALA A 92 -9.193 8.169 -10.001 1.00 0.00 C ATOM 1547 CB ALA A 92 -8.259 6.261 -11.322 1.00 0.00 C ATOM 0 H ALA A 92 -6.478 8.143 -10.775 1.00 0.00 H new ATOM 0 HA ALA A 92 -9.109 8.051 -12.127 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -9.218 5.752 -11.223 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -7.796 5.983 -12.269 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -7.606 5.968 -10.500 1.00 0.00 H new