USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 594 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 72 MET CE :methyl 138:sc= 0 (180deg=-0.0339) USER MOD Set 1.2: A 96 LYS NZ :NH3+ 152:sc= 1.32 (180deg=0.952) USER MOD Set 2.1: A 57 MET CE :methyl 162:sc= 0 (180deg=-0.42) USER MOD Set 2.2: A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 26 THR OG1 : rot 34:sc= 0.29 USER MOD Set 3.2: A 29 GLN : amide:sc= 0.206 K(o=0.5,f=-1.1!) USER MOD Set 3.3: A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 162:sc= 2.45 (180deg=1.85) USER MOD Single : A 31 GLN : amide:sc= -0.0495 X(o=-0.05,f=0) USER MOD Single : A 45 THR OG1 : rot 50:sc= -0.934 USER MOD Single : A 47 THR OG1 : rot 108:sc= 0.11 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -174:sc= -6.08! (180deg=-6.89!) USER MOD Single : A 65 LYS NZ :NH3+ -170:sc= 2.08 (180deg=1.85) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -155:sc= 1.13 (180deg=-0.386) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 137:sc= 3.02 (180deg=0.816) USER MOD Single : A 81 THR OG1 : rot 3:sc= 1.12 USER MOD Single : A 83 LYS NZ :NH3+ -167:sc= 2.38 (180deg=2.19) USER MOD Single : A 84 MET CE :methyl -167:sc= 0 (180deg=-0.227) USER MOD Single : A 85 ASN : amide:sc= 0.139 K(o=0.14,f=-1.5!) USER MOD Single : A 91 THR OG1 : rot -82:sc= 1.2 USER MOD Single : A 94 THR OG1 : rot 89:sc= 0.943 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 97 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 383 N LEU A 25 -3.598 -7.324 -25.887 1.00 0.00 N ATOM 384 CA LEU A 25 -2.995 -7.848 -24.618 1.00 0.00 C ATOM 385 C LEU A 25 -3.927 -9.043 -24.212 1.00 0.00 C ATOM 386 O LEU A 25 -5.124 -8.849 -23.991 1.00 0.00 O ATOM 387 CB LEU A 25 -2.836 -6.716 -23.561 1.00 0.00 C ATOM 388 CG LEU A 25 -1.802 -5.604 -23.933 1.00 0.00 C ATOM 389 CD1 LEU A 25 -1.945 -4.380 -23.002 1.00 0.00 C ATOM 390 CD2 LEU A 25 -0.324 -6.044 -23.962 1.00 0.00 C ATOM 0 HA LEU A 25 -1.972 -8.208 -24.723 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.808 -6.249 -23.402 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.539 -7.164 -22.613 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.058 -5.349 -24.961 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.214 -3.622 -23.283 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.950 -3.967 -23.095 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.772 -4.686 -21.970 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.303 -5.194 -24.231 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.034 -6.412 -22.978 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.195 -6.838 -24.698 1.00 0.00 H new ATOM 402 N THR A 26 -3.387 -10.274 -24.191 1.00 0.00 N ATOM 403 CA THR A 26 -4.192 -11.544 -24.059 1.00 0.00 C ATOM 404 C THR A 26 -5.008 -11.726 -22.750 1.00 0.00 C ATOM 405 O THR A 26 -6.231 -11.551 -22.757 1.00 0.00 O ATOM 406 CB THR A 26 -3.276 -12.739 -24.442 1.00 0.00 C ATOM 407 OG1 THR A 26 -1.962 -12.501 -24.031 1.00 0.00 O ATOM 408 CG2 THR A 26 -3.094 -12.939 -25.958 1.00 0.00 C ATOM 0 H THR A 26 -2.383 -10.438 -24.264 1.00 0.00 H new ATOM 0 HA THR A 26 -5.021 -11.482 -24.764 1.00 0.00 H new ATOM 0 HB THR A 26 -3.770 -13.591 -23.975 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.968 -11.987 -23.197 1.00 0.00 H new ATOM 0 HG21 THR A 26 -2.441 -13.793 -26.136 1.00 0.00 H new ATOM 0 HG22 THR A 26 -4.064 -13.121 -26.420 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.648 -12.044 -26.392 1.00 0.00 H new ATOM 416 N GLU A 27 -4.357 -12.122 -21.663 1.00 0.00 N ATOM 417 CA GLU A 27 -5.029 -12.534 -20.396 1.00 0.00 C ATOM 418 C GLU A 27 -4.056 -12.207 -19.214 1.00 0.00 C ATOM 419 O GLU A 27 -4.322 -11.367 -18.353 1.00 0.00 O ATOM 420 CB GLU A 27 -5.504 -14.027 -20.461 1.00 0.00 C ATOM 421 CG GLU A 27 -7.013 -14.171 -20.146 1.00 0.00 C ATOM 422 CD GLU A 27 -7.492 -15.621 -20.073 1.00 0.00 C ATOM 423 OE1 GLU A 27 -7.355 -16.235 -18.984 1.00 0.00 O ATOM 424 OE2 GLU A 27 -8.037 -16.120 -21.090 1.00 0.00 O ATOM 0 H GLU A 27 -3.339 -12.173 -21.616 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.950 -11.974 -20.234 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -5.301 -14.429 -21.454 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -4.928 -14.622 -19.752 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -7.225 -13.680 -19.196 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -7.586 -13.647 -20.911 1.00 0.00 H new ATOM 431 N GLU A 28 -2.889 -12.849 -19.289 1.00 0.00 N ATOM 432 CA GLU A 28 -1.670 -12.621 -18.492 1.00 0.00 C ATOM 433 C GLU A 28 -1.123 -11.148 -18.610 1.00 0.00 C ATOM 434 O GLU A 28 -0.976 -10.459 -17.595 1.00 0.00 O ATOM 435 CB GLU A 28 -0.675 -13.735 -18.984 1.00 0.00 C ATOM 436 CG GLU A 28 -0.140 -13.750 -20.454 1.00 0.00 C ATOM 437 CD GLU A 28 -1.170 -13.535 -21.544 1.00 0.00 C ATOM 438 OE1 GLU A 28 -1.473 -12.333 -21.724 1.00 0.00 O ATOM 439 OE2 GLU A 28 -1.710 -14.478 -22.178 1.00 0.00 O ATOM 0 H GLU A 28 -2.755 -13.604 -19.962 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.847 -12.704 -17.420 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.195 -13.697 -18.329 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.162 -14.695 -18.812 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.624 -12.978 -20.548 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.350 -14.707 -20.630 1.00 0.00 H new ATOM 446 N GLN A 29 -0.919 -10.635 -19.848 1.00 0.00 N ATOM 447 CA GLN A 29 -0.615 -9.206 -20.125 1.00 0.00 C ATOM 448 C GLN A 29 -1.769 -8.227 -19.716 1.00 0.00 C ATOM 449 O GLN A 29 -1.523 -7.212 -19.065 1.00 0.00 O ATOM 450 CB GLN A 29 -0.343 -9.027 -21.654 1.00 0.00 C ATOM 451 CG GLN A 29 0.783 -9.868 -22.324 1.00 0.00 C ATOM 452 CD GLN A 29 0.676 -9.722 -23.856 1.00 0.00 C ATOM 453 OE1 GLN A 29 -0.258 -10.237 -24.477 1.00 0.00 O ATOM 454 NE2 GLN A 29 1.579 -8.967 -24.524 1.00 0.00 N ATOM 0 H GLN A 29 -0.961 -11.206 -20.692 1.00 0.00 H new ATOM 0 HA GLN A 29 0.257 -8.954 -19.521 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -1.272 -9.243 -22.181 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -0.115 -7.975 -21.827 1.00 0.00 H new ATOM 0 HG2 GLN A 29 1.761 -9.529 -21.981 1.00 0.00 H new ATOM 0 HG3 GLN A 29 0.691 -10.916 -22.038 1.00 0.00 H new ATOM 0 HE21 GLN A 29 2.355 -8.536 -24.021 1.00 0.00 H new ATOM 0 HE22 GLN A 29 1.483 -8.829 -25.530 1.00 0.00 H new ATOM 463 N LYS A 30 -3.018 -8.545 -20.117 1.00 0.00 N ATOM 464 CA LYS A 30 -4.249 -7.784 -19.779 1.00 0.00 C ATOM 465 C LYS A 30 -4.484 -7.562 -18.245 1.00 0.00 C ATOM 466 O LYS A 30 -4.640 -6.412 -17.823 1.00 0.00 O ATOM 467 CB LYS A 30 -5.375 -8.607 -20.461 1.00 0.00 C ATOM 468 CG LYS A 30 -6.753 -7.955 -20.611 1.00 0.00 C ATOM 469 CD LYS A 30 -7.819 -8.989 -21.046 1.00 0.00 C ATOM 470 CE LYS A 30 -8.486 -8.763 -22.424 1.00 0.00 C ATOM 471 NZ LYS A 30 -7.704 -9.374 -23.536 1.00 0.00 N ATOM 0 H LYS A 30 -3.208 -9.360 -20.701 1.00 0.00 H new ATOM 0 HA LYS A 30 -4.195 -6.755 -20.135 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -5.028 -8.887 -21.456 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -5.502 -9.531 -19.896 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.048 -7.501 -19.665 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -6.700 -7.152 -21.347 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -7.354 -9.975 -21.051 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -8.602 -9.009 -20.288 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -9.490 -9.186 -22.413 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -8.593 -7.693 -22.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -8.311 -9.471 -24.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -6.892 -8.766 -23.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -7.362 -10.312 -23.245 1.00 0.00 H new ATOM 485 N GLN A 31 -4.458 -8.625 -17.414 1.00 0.00 N ATOM 486 CA GLN A 31 -4.454 -8.487 -15.929 1.00 0.00 C ATOM 487 C GLN A 31 -3.155 -7.830 -15.341 1.00 0.00 C ATOM 488 O GLN A 31 -3.291 -7.065 -14.388 1.00 0.00 O ATOM 489 CB GLN A 31 -4.837 -9.853 -15.271 1.00 0.00 C ATOM 490 CG GLN A 31 -3.761 -10.967 -15.160 1.00 0.00 C ATOM 491 CD GLN A 31 -3.135 -11.049 -13.758 1.00 0.00 C ATOM 492 OE1 GLN A 31 -3.689 -11.650 -12.835 1.00 0.00 O ATOM 493 NE2 GLN A 31 -1.959 -10.416 -13.561 1.00 0.00 N ATOM 0 H GLN A 31 -4.439 -9.592 -17.739 1.00 0.00 H new ATOM 0 HA GLN A 31 -5.223 -7.761 -15.663 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -5.197 -9.643 -14.264 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -5.678 -10.263 -15.831 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -4.211 -11.928 -15.409 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -2.976 -10.783 -15.894 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -1.510 -9.922 -14.332 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -1.519 -10.432 -12.641 1.00 0.00 H new ATOM 502 N GLU A 32 -1.943 -8.064 -15.901 1.00 0.00 N ATOM 503 CA GLU A 32 -0.692 -7.326 -15.475 1.00 0.00 C ATOM 504 C GLU A 32 -0.827 -5.767 -15.595 1.00 0.00 C ATOM 505 O GLU A 32 -0.627 -5.074 -14.595 1.00 0.00 O ATOM 506 CB GLU A 32 0.615 -7.813 -16.201 1.00 0.00 C ATOM 507 CG GLU A 32 1.935 -7.239 -15.619 1.00 0.00 C ATOM 508 CD GLU A 32 3.141 -7.532 -16.509 1.00 0.00 C ATOM 509 OE1 GLU A 32 3.105 -7.119 -17.697 1.00 0.00 O ATOM 510 OE2 GLU A 32 4.121 -8.141 -16.007 1.00 0.00 O ATOM 0 H GLU A 32 -1.789 -8.747 -16.642 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.587 -7.578 -14.420 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.656 -8.901 -16.153 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.551 -7.542 -17.255 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.834 -6.161 -15.492 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.106 -7.662 -14.629 1.00 0.00 H new ATOM 517 N ILE A 33 -1.189 -5.204 -16.768 1.00 0.00 N ATOM 518 CA ILE A 33 -1.397 -3.726 -16.921 1.00 0.00 C ATOM 519 C ILE A 33 -2.613 -3.194 -16.071 1.00 0.00 C ATOM 520 O ILE A 33 -2.459 -2.155 -15.419 1.00 0.00 O ATOM 521 CB ILE A 33 -1.517 -3.293 -18.421 1.00 0.00 C ATOM 522 CG1 ILE A 33 -0.169 -3.289 -19.207 1.00 0.00 C ATOM 523 CG2 ILE A 33 -1.967 -1.868 -18.439 1.00 0.00 C ATOM 524 CD1 ILE A 33 0.487 -4.637 -19.521 1.00 0.00 C ATOM 0 H ILE A 33 -1.345 -5.736 -17.624 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.499 -3.256 -16.520 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.192 -4.010 -18.888 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.335 -2.771 -20.152 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.546 -2.694 -18.639 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.062 -1.530 -19.471 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.932 -1.785 -17.939 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.235 -1.249 -17.920 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.414 -4.471 -20.070 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.705 -5.161 -18.590 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.190 -5.239 -20.126 1.00 0.00 H new ATOM 536 N ARG A 34 -3.791 -3.876 -16.049 1.00 0.00 N ATOM 537 CA ARG A 34 -4.935 -3.500 -15.172 1.00 0.00 C ATOM 538 C ARG A 34 -4.595 -3.489 -13.640 1.00 0.00 C ATOM 539 O ARG A 34 -4.826 -2.473 -12.982 1.00 0.00 O ATOM 540 CB ARG A 34 -6.145 -4.434 -15.513 1.00 0.00 C ATOM 541 CG ARG A 34 -7.577 -3.842 -15.485 1.00 0.00 C ATOM 542 CD ARG A 34 -8.043 -3.082 -14.231 1.00 0.00 C ATOM 543 NE ARG A 34 -7.951 -3.949 -13.009 1.00 0.00 N ATOM 544 CZ ARG A 34 -8.113 -3.438 -11.759 1.00 0.00 C ATOM 545 NH1 ARG A 34 -8.763 -2.279 -11.530 1.00 0.00 N ATOM 546 NH2 ARG A 34 -7.541 -4.081 -10.720 1.00 0.00 N ATOM 0 H ARG A 34 -3.973 -4.693 -16.632 1.00 0.00 H new ATOM 0 HA ARG A 34 -5.196 -2.463 -15.381 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -5.976 -4.842 -16.510 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -6.121 -5.272 -14.817 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -7.670 -3.165 -16.334 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -8.276 -4.662 -15.652 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -7.432 -2.190 -14.095 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -9.071 -2.747 -14.366 1.00 0.00 H new ATOM 0 HE ARG A 34 -7.762 -4.945 -13.119 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -9.155 -1.751 -12.310 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -8.863 -1.930 -10.577 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -7.001 -4.931 -10.881 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -7.648 -3.717 -9.773 1.00 0.00 H new ATOM 560 N GLU A 35 -4.028 -4.584 -13.097 1.00 0.00 N ATOM 561 CA GLU A 35 -3.538 -4.668 -11.690 1.00 0.00 C ATOM 562 C GLU A 35 -2.352 -3.696 -11.337 1.00 0.00 C ATOM 563 O GLU A 35 -2.426 -3.038 -10.298 1.00 0.00 O ATOM 564 CB GLU A 35 -3.211 -6.169 -11.405 1.00 0.00 C ATOM 565 CG GLU A 35 -3.281 -6.681 -9.944 1.00 0.00 C ATOM 566 CD GLU A 35 -2.107 -6.314 -9.040 1.00 0.00 C ATOM 567 OE1 GLU A 35 -0.938 -6.417 -9.490 1.00 0.00 O ATOM 568 OE2 GLU A 35 -2.374 -5.986 -7.856 1.00 0.00 O ATOM 0 H GLU A 35 -3.892 -5.449 -13.621 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.325 -4.312 -11.025 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -3.894 -6.775 -12.001 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.205 -6.364 -11.776 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.195 -6.297 -9.491 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.369 -7.767 -9.966 1.00 0.00 H new ATOM 575 N ALA A 36 -1.310 -3.529 -12.188 1.00 0.00 N ATOM 576 CA ALA A 36 -0.209 -2.549 -11.933 1.00 0.00 C ATOM 577 C ALA A 36 -0.644 -1.047 -11.852 1.00 0.00 C ATOM 578 O ALA A 36 -0.404 -0.377 -10.832 1.00 0.00 O ATOM 579 CB ALA A 36 0.874 -2.748 -13.017 1.00 0.00 C ATOM 0 H ALA A 36 -1.203 -4.055 -13.055 1.00 0.00 H new ATOM 0 HA ALA A 36 0.172 -2.762 -10.934 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.689 -2.043 -12.851 1.00 0.00 H new ATOM 0 HB2 ALA A 36 1.259 -3.766 -12.964 1.00 0.00 H new ATOM 0 HB3 ALA A 36 0.439 -2.575 -14.002 1.00 0.00 H new ATOM 585 N PHE A 37 -1.330 -0.529 -12.894 1.00 0.00 N ATOM 586 CA PHE A 37 -1.930 0.833 -12.848 1.00 0.00 C ATOM 587 C PHE A 37 -2.957 1.031 -11.680 1.00 0.00 C ATOM 588 O PHE A 37 -2.874 2.063 -11.022 1.00 0.00 O ATOM 589 CB PHE A 37 -2.474 1.202 -14.256 1.00 0.00 C ATOM 590 CG PHE A 37 -2.448 2.686 -14.551 1.00 0.00 C ATOM 591 CD1 PHE A 37 -3.481 3.512 -14.068 1.00 0.00 C ATOM 592 CD2 PHE A 37 -1.433 3.255 -15.329 1.00 0.00 C ATOM 593 CE1 PHE A 37 -3.483 4.884 -14.309 1.00 0.00 C ATOM 594 CE2 PHE A 37 -1.517 4.601 -15.703 1.00 0.00 C ATOM 595 CZ PHE A 37 -2.507 5.430 -15.125 1.00 0.00 C ATOM 0 H PHE A 37 -1.484 -1.024 -13.772 1.00 0.00 H new ATOM 0 HA PHE A 37 -1.147 1.549 -12.598 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.885 0.681 -15.011 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -3.499 0.841 -14.345 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -4.288 3.073 -13.500 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -0.588 2.658 -15.639 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -4.238 5.515 -13.864 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -0.829 5.005 -16.430 1.00 0.00 H new ATOM 0 HZ PHE A 37 -2.501 6.492 -15.321 1.00 0.00 H new ATOM 605 N ASP A 38 -3.838 0.060 -11.371 1.00 0.00 N ATOM 606 CA ASP A 38 -4.691 0.081 -10.140 1.00 0.00 C ATOM 607 C ASP A 38 -3.914 0.018 -8.770 1.00 0.00 C ATOM 608 O ASP A 38 -4.310 0.719 -7.836 1.00 0.00 O ATOM 609 CB ASP A 38 -5.668 -1.112 -10.325 1.00 0.00 C ATOM 610 CG ASP A 38 -6.835 -1.289 -9.353 1.00 0.00 C ATOM 611 OD1 ASP A 38 -7.820 -0.516 -9.452 1.00 0.00 O ATOM 612 OD2 ASP A 38 -6.862 -2.349 -8.673 1.00 0.00 O ATOM 0 H ASP A 38 -3.987 -0.762 -11.956 1.00 0.00 H new ATOM 0 HA ASP A 38 -5.198 1.042 -10.056 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -6.087 -1.038 -11.328 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.076 -2.027 -10.294 1.00 0.00 H new ATOM 617 N LEU A 39 -2.816 -0.769 -8.623 1.00 0.00 N ATOM 618 CA LEU A 39 -1.905 -0.703 -7.430 1.00 0.00 C ATOM 619 C LEU A 39 -1.431 0.745 -7.083 1.00 0.00 C ATOM 620 O LEU A 39 -1.521 1.169 -5.926 1.00 0.00 O ATOM 621 CB LEU A 39 -0.630 -1.594 -7.614 1.00 0.00 C ATOM 622 CG LEU A 39 -0.732 -3.069 -7.133 1.00 0.00 C ATOM 623 CD1 LEU A 39 0.398 -3.924 -7.747 1.00 0.00 C ATOM 624 CD2 LEU A 39 -0.697 -3.195 -5.595 1.00 0.00 C ATOM 0 H LEU A 39 -2.532 -1.462 -9.315 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.515 -1.077 -6.608 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.368 -1.599 -8.672 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.196 -1.120 -7.084 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.699 -3.439 -7.474 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.307 -4.952 -7.397 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.321 -3.903 -8.834 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.365 -3.521 -7.444 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.771 -4.246 -5.314 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.239 -2.784 -5.217 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.534 -2.645 -5.166 1.00 0.00 H new ATOM 636 N PHE A 40 -0.924 1.478 -8.089 1.00 0.00 N ATOM 637 CA PHE A 40 -0.509 2.897 -7.918 1.00 0.00 C ATOM 638 C PHE A 40 -1.706 3.918 -7.957 1.00 0.00 C ATOM 639 O PHE A 40 -1.753 4.818 -7.113 1.00 0.00 O ATOM 640 CB PHE A 40 0.665 3.186 -8.909 1.00 0.00 C ATOM 641 CG PHE A 40 1.871 2.245 -8.693 1.00 0.00 C ATOM 642 CD1 PHE A 40 2.715 2.363 -7.568 1.00 0.00 C ATOM 643 CD2 PHE A 40 2.101 1.167 -9.571 1.00 0.00 C ATOM 644 CE1 PHE A 40 3.694 1.397 -7.291 1.00 0.00 C ATOM 645 CE2 PHE A 40 3.053 0.183 -9.280 1.00 0.00 C ATOM 646 CZ PHE A 40 3.850 0.295 -8.140 1.00 0.00 C ATOM 0 H PHE A 40 -0.788 1.118 -9.034 1.00 0.00 H new ATOM 0 HA PHE A 40 -0.132 3.054 -6.907 1.00 0.00 H new ATOM 0 HB2 PHE A 40 0.306 3.081 -9.933 1.00 0.00 H new ATOM 0 HB3 PHE A 40 0.990 4.220 -8.790 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.605 3.212 -6.909 1.00 0.00 H new ATOM 0 HD2 PHE A 40 1.532 1.099 -10.486 1.00 0.00 H new ATOM 0 HE1 PHE A 40 4.327 1.504 -6.423 1.00 0.00 H new ATOM 0 HE2 PHE A 40 3.171 -0.664 -9.939 1.00 0.00 H new ATOM 0 HZ PHE A 40 4.584 -0.465 -7.914 1.00 0.00 H new ATOM 656 N ASP A 41 -2.705 3.771 -8.854 1.00 0.00 N ATOM 657 CA ASP A 41 -3.975 4.555 -8.820 1.00 0.00 C ATOM 658 C ASP A 41 -5.002 3.923 -7.806 1.00 0.00 C ATOM 659 O ASP A 41 -5.981 3.276 -8.188 1.00 0.00 O ATOM 660 CB ASP A 41 -4.513 4.624 -10.288 1.00 0.00 C ATOM 661 CG ASP A 41 -5.442 5.785 -10.621 1.00 0.00 C ATOM 662 OD1 ASP A 41 -6.600 5.815 -10.130 1.00 0.00 O ATOM 663 OD2 ASP A 41 -5.008 6.676 -11.407 1.00 0.00 O ATOM 0 H ASP A 41 -2.661 3.106 -9.626 1.00 0.00 H new ATOM 0 HA ASP A 41 -3.808 5.569 -8.456 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -3.658 4.668 -10.962 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -5.040 3.694 -10.502 1.00 0.00 H new ATOM 668 N ALA A 42 -4.760 4.108 -6.494 1.00 0.00 N ATOM 669 CA ALA A 42 -5.525 3.376 -5.431 1.00 0.00 C ATOM 670 C ALA A 42 -6.974 3.888 -5.138 1.00 0.00 C ATOM 671 O ALA A 42 -7.899 3.076 -5.068 1.00 0.00 O ATOM 672 CB ALA A 42 -4.679 3.355 -4.135 1.00 0.00 C ATOM 0 H ALA A 42 -4.052 4.748 -6.134 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.688 2.373 -5.826 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.224 2.825 -3.353 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.733 2.847 -4.326 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.483 4.377 -3.812 1.00 0.00 H new ATOM 678 N ASP A 43 -7.172 5.202 -4.935 1.00 0.00 N ATOM 679 CA ASP A 43 -8.507 5.791 -4.602 1.00 0.00 C ATOM 680 C ASP A 43 -9.402 6.208 -5.830 1.00 0.00 C ATOM 681 O ASP A 43 -10.566 6.571 -5.633 1.00 0.00 O ATOM 682 CB ASP A 43 -8.280 7.011 -3.650 1.00 0.00 C ATOM 683 CG ASP A 43 -7.796 6.623 -2.238 1.00 0.00 C ATOM 684 OD1 ASP A 43 -8.658 6.261 -1.395 1.00 0.00 O ATOM 685 OD2 ASP A 43 -6.569 6.723 -1.974 1.00 0.00 O ATOM 0 H ASP A 43 -6.424 5.893 -4.994 1.00 0.00 H new ATOM 0 HA ASP A 43 -9.079 4.997 -4.122 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -7.549 7.681 -4.102 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -9.212 7.569 -3.563 1.00 0.00 H new ATOM 690 N GLY A 44 -8.891 6.172 -7.078 1.00 0.00 N ATOM 691 CA GLY A 44 -9.598 6.680 -8.278 1.00 0.00 C ATOM 692 C GLY A 44 -9.113 8.086 -8.679 1.00 0.00 C ATOM 693 O GLY A 44 -9.707 9.089 -8.277 1.00 0.00 O ATOM 0 H GLY A 44 -7.969 5.787 -7.286 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -9.443 5.992 -9.109 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -10.670 6.708 -8.083 1.00 0.00 H new ATOM 697 N THR A 45 -8.027 8.143 -9.459 1.00 0.00 N ATOM 698 CA THR A 45 -7.297 9.410 -9.761 1.00 0.00 C ATOM 699 C THR A 45 -7.287 9.711 -11.294 1.00 0.00 C ATOM 700 O THR A 45 -7.913 10.688 -11.714 1.00 0.00 O ATOM 701 CB THR A 45 -5.880 9.410 -9.119 1.00 0.00 C ATOM 702 OG1 THR A 45 -5.137 8.283 -9.486 1.00 0.00 O ATOM 703 CG2 THR A 45 -5.877 9.392 -7.571 1.00 0.00 C ATOM 0 H THR A 45 -7.619 7.321 -9.905 1.00 0.00 H new ATOM 0 HA THR A 45 -7.837 10.237 -9.299 1.00 0.00 H new ATOM 0 HB THR A 45 -5.450 10.341 -9.489 1.00 0.00 H new ATOM 0 HG1 THR A 45 -5.160 8.179 -10.460 1.00 0.00 H new ATOM 0 HG21 THR A 45 -4.849 9.393 -7.209 1.00 0.00 H new ATOM 0 HG22 THR A 45 -6.395 10.275 -7.196 1.00 0.00 H new ATOM 0 HG23 THR A 45 -6.385 8.495 -7.217 1.00 0.00 H new ATOM 711 N GLY A 46 -6.572 8.922 -12.120 1.00 0.00 N ATOM 712 CA GLY A 46 -6.338 9.276 -13.558 1.00 0.00 C ATOM 713 C GLY A 46 -4.892 9.004 -14.020 1.00 0.00 C ATOM 714 O GLY A 46 -4.689 8.283 -15.001 1.00 0.00 O ATOM 0 H GLY A 46 -6.145 8.041 -11.832 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -7.026 8.706 -14.183 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -6.569 10.331 -13.709 1.00 0.00 H new ATOM 718 N THR A 47 -3.906 9.643 -13.359 1.00 0.00 N ATOM 719 CA THR A 47 -2.463 9.507 -13.712 1.00 0.00 C ATOM 720 C THR A 47 -1.646 8.766 -12.612 1.00 0.00 C ATOM 721 O THR A 47 -1.797 8.986 -11.406 1.00 0.00 O ATOM 722 CB THR A 47 -1.806 10.889 -14.005 1.00 0.00 C ATOM 723 OG1 THR A 47 -2.016 11.801 -12.923 1.00 0.00 O ATOM 724 CG2 THR A 47 -2.344 11.530 -15.314 1.00 0.00 C ATOM 0 H THR A 47 -4.077 10.266 -12.569 1.00 0.00 H new ATOM 0 HA THR A 47 -2.438 8.903 -14.619 1.00 0.00 H new ATOM 0 HB THR A 47 -0.739 10.699 -14.124 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.173 11.937 -12.442 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.856 12.491 -15.475 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.133 10.870 -16.156 1.00 0.00 H new ATOM 0 HG23 THR A 47 -3.421 11.679 -15.231 1.00 0.00 H new ATOM 732 N ILE A 48 -0.723 7.920 -13.093 1.00 0.00 N ATOM 733 CA ILE A 48 0.327 7.268 -12.262 1.00 0.00 C ATOM 734 C ILE A 48 1.618 8.054 -12.662 1.00 0.00 C ATOM 735 O ILE A 48 2.032 8.093 -13.831 1.00 0.00 O ATOM 736 CB ILE A 48 0.385 5.742 -12.486 1.00 0.00 C ATOM 737 CG1 ILE A 48 1.637 4.995 -11.985 1.00 0.00 C ATOM 738 CG2 ILE A 48 0.358 5.533 -13.970 1.00 0.00 C ATOM 739 CD1 ILE A 48 1.753 3.532 -12.476 1.00 0.00 C ATOM 0 H ILE A 48 -0.675 7.660 -14.078 1.00 0.00 H new ATOM 0 HA ILE A 48 0.150 7.322 -11.188 1.00 0.00 H new ATOM 0 HB ILE A 48 -0.450 5.340 -11.912 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.523 5.543 -12.305 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.635 5.000 -10.895 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.397 4.466 -14.188 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.560 5.954 -14.380 1.00 0.00 H new ATOM 0 HG23 ILE A 48 1.217 6.027 -14.423 1.00 0.00 H new ATOM 0 HD11 ILE A 48 2.663 3.085 -12.075 1.00 0.00 H new ATOM 0 HD12 ILE A 48 0.888 2.964 -12.134 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.790 3.516 -13.565 1.00 0.00 H new ATOM 751 N ASP A 49 2.231 8.700 -11.663 1.00 0.00 N ATOM 752 CA ASP A 49 3.333 9.678 -11.894 1.00 0.00 C ATOM 753 C ASP A 49 4.738 9.054 -11.649 1.00 0.00 C ATOM 754 O ASP A 49 4.924 8.051 -10.965 1.00 0.00 O ATOM 755 CB ASP A 49 3.088 11.032 -11.148 1.00 0.00 C ATOM 756 CG ASP A 49 2.027 11.924 -11.831 1.00 0.00 C ATOM 757 OD1 ASP A 49 0.983 11.420 -12.319 1.00 0.00 O ATOM 758 OD2 ASP A 49 2.277 13.156 -11.889 1.00 0.00 O ATOM 0 H ASP A 49 1.991 8.572 -10.680 1.00 0.00 H new ATOM 0 HA ASP A 49 3.323 9.935 -12.953 1.00 0.00 H new ATOM 0 HB2 ASP A 49 2.773 10.823 -10.125 1.00 0.00 H new ATOM 0 HB3 ASP A 49 4.028 11.580 -11.087 1.00 0.00 H new ATOM 763 N VAL A 50 5.716 9.725 -12.271 1.00 0.00 N ATOM 764 CA VAL A 50 7.133 9.312 -12.444 1.00 0.00 C ATOM 765 C VAL A 50 7.815 8.404 -11.358 1.00 0.00 C ATOM 766 O VAL A 50 8.402 7.382 -11.724 1.00 0.00 O ATOM 767 CB VAL A 50 7.948 10.595 -12.823 1.00 0.00 C ATOM 768 CG1 VAL A 50 8.400 11.540 -11.678 1.00 0.00 C ATOM 769 CG2 VAL A 50 9.116 10.160 -13.693 1.00 0.00 C ATOM 0 H VAL A 50 5.536 10.633 -12.699 1.00 0.00 H new ATOM 0 HA VAL A 50 7.132 8.575 -13.247 1.00 0.00 H new ATOM 0 HB VAL A 50 7.247 11.240 -13.353 1.00 0.00 H new ATOM 0 HG11 VAL A 50 8.952 12.381 -12.097 1.00 0.00 H new ATOM 0 HG12 VAL A 50 7.524 11.910 -11.145 1.00 0.00 H new ATOM 0 HG13 VAL A 50 9.041 10.993 -10.987 1.00 0.00 H new ATOM 0 HG21 VAL A 50 9.705 11.033 -13.975 1.00 0.00 H new ATOM 0 HG22 VAL A 50 9.743 9.463 -13.138 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.738 9.672 -14.591 1.00 0.00 H new ATOM 779 N LYS A 51 7.738 8.746 -10.064 1.00 0.00 N ATOM 780 CA LYS A 51 8.160 7.845 -8.946 1.00 0.00 C ATOM 781 C LYS A 51 7.491 6.412 -8.962 1.00 0.00 C ATOM 782 O LYS A 51 8.160 5.383 -9.132 1.00 0.00 O ATOM 783 CB LYS A 51 7.796 8.572 -7.617 1.00 0.00 C ATOM 784 CG LYS A 51 8.516 9.916 -7.326 1.00 0.00 C ATOM 785 CD LYS A 51 7.802 10.701 -6.202 1.00 0.00 C ATOM 786 CE LYS A 51 8.271 12.161 -6.069 1.00 0.00 C ATOM 787 NZ LYS A 51 7.502 12.856 -4.993 1.00 0.00 N ATOM 0 H LYS A 51 7.385 9.649 -9.748 1.00 0.00 H new ATOM 0 HA LYS A 51 9.229 7.660 -9.055 1.00 0.00 H new ATOM 0 HB2 LYS A 51 6.722 8.757 -7.616 1.00 0.00 H new ATOM 0 HB3 LYS A 51 8.004 7.891 -6.791 1.00 0.00 H new ATOM 0 HG2 LYS A 51 9.550 9.723 -7.038 1.00 0.00 H new ATOM 0 HG3 LYS A 51 8.545 10.520 -8.233 1.00 0.00 H new ATOM 0 HD2 LYS A 51 6.728 10.690 -6.389 1.00 0.00 H new ATOM 0 HD3 LYS A 51 7.965 10.189 -5.254 1.00 0.00 H new ATOM 0 HE2 LYS A 51 9.336 12.189 -5.840 1.00 0.00 H new ATOM 0 HE3 LYS A 51 8.135 12.682 -7.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 7.828 13.840 -4.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 6.489 12.845 -5.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 7.653 12.367 -4.087 1.00 0.00 H new ATOM 801 N GLU A 52 6.151 6.414 -8.870 1.00 0.00 N ATOM 802 CA GLU A 52 5.273 5.223 -8.982 1.00 0.00 C ATOM 803 C GLU A 52 5.284 4.551 -10.398 1.00 0.00 C ATOM 804 O GLU A 52 5.362 3.325 -10.465 1.00 0.00 O ATOM 805 CB GLU A 52 3.838 5.691 -8.572 1.00 0.00 C ATOM 806 CG GLU A 52 3.700 6.244 -7.118 1.00 0.00 C ATOM 807 CD GLU A 52 2.246 6.541 -6.739 1.00 0.00 C ATOM 808 OE1 GLU A 52 1.509 5.571 -6.433 1.00 0.00 O ATOM 809 OE2 GLU A 52 1.872 7.742 -6.718 1.00 0.00 O ATOM 0 H GLU A 52 5.624 7.273 -8.710 1.00 0.00 H new ATOM 0 HA GLU A 52 5.644 4.439 -8.323 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.514 6.465 -9.268 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.154 4.851 -8.689 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.114 5.520 -6.416 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.291 7.155 -7.022 1.00 0.00 H new ATOM 816 N LEU A 53 5.271 5.306 -11.522 1.00 0.00 N ATOM 817 CA LEU A 53 5.496 4.745 -12.885 1.00 0.00 C ATOM 818 C LEU A 53 6.850 3.982 -13.107 1.00 0.00 C ATOM 819 O LEU A 53 6.857 2.934 -13.757 1.00 0.00 O ATOM 820 CB LEU A 53 5.326 5.917 -13.887 1.00 0.00 C ATOM 821 CG LEU A 53 5.288 5.534 -15.381 1.00 0.00 C ATOM 822 CD1 LEU A 53 4.025 4.726 -15.735 1.00 0.00 C ATOM 823 CD2 LEU A 53 5.430 6.798 -16.255 1.00 0.00 C ATOM 0 H LEU A 53 5.106 6.313 -11.516 1.00 0.00 H new ATOM 0 HA LEU A 53 4.760 3.956 -13.040 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.403 6.444 -13.645 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.145 6.620 -13.734 1.00 0.00 H new ATOM 0 HG LEU A 53 6.135 4.880 -15.589 1.00 0.00 H new ATOM 0 HD11 LEU A 53 4.038 4.477 -16.796 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.003 3.808 -15.147 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.139 5.320 -15.513 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.402 6.517 -17.308 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.610 7.483 -16.040 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.379 7.288 -16.035 1.00 0.00 H new ATOM 835 N LYS A 54 7.983 4.480 -12.586 1.00 0.00 N ATOM 836 CA LYS A 54 9.290 3.761 -12.657 1.00 0.00 C ATOM 837 C LYS A 54 9.354 2.465 -11.793 1.00 0.00 C ATOM 838 O LYS A 54 9.801 1.440 -12.317 1.00 0.00 O ATOM 839 CB LYS A 54 10.424 4.767 -12.365 1.00 0.00 C ATOM 840 CG LYS A 54 10.672 5.699 -13.584 1.00 0.00 C ATOM 841 CD LYS A 54 11.772 6.781 -13.406 1.00 0.00 C ATOM 842 CE LYS A 54 12.186 7.543 -14.675 1.00 0.00 C ATOM 843 NZ LYS A 54 11.044 8.343 -15.234 1.00 0.00 N ATOM 0 H LYS A 54 8.032 5.379 -12.107 1.00 0.00 H new ATOM 0 HA LYS A 54 9.417 3.375 -13.668 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.167 5.366 -11.491 1.00 0.00 H new ATOM 0 HB3 LYS A 54 11.340 4.228 -12.123 1.00 0.00 H new ATOM 0 HG2 LYS A 54 10.936 5.079 -14.441 1.00 0.00 H new ATOM 0 HG3 LYS A 54 9.735 6.200 -13.829 1.00 0.00 H new ATOM 0 HD2 LYS A 54 11.424 7.505 -12.670 1.00 0.00 H new ATOM 0 HD3 LYS A 54 12.658 6.303 -12.989 1.00 0.00 H new ATOM 0 HE2 LYS A 54 13.019 8.207 -14.446 1.00 0.00 H new ATOM 0 HE3 LYS A 54 12.539 6.836 -15.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 11.326 8.763 -16.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.223 7.721 -15.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.791 9.100 -14.567 1.00 0.00 H new ATOM 857 N VAL A 55 8.914 2.458 -10.516 1.00 0.00 N ATOM 858 CA VAL A 55 8.751 1.161 -9.750 1.00 0.00 C ATOM 859 C VAL A 55 7.691 0.180 -10.395 1.00 0.00 C ATOM 860 O VAL A 55 7.866 -1.047 -10.349 1.00 0.00 O ATOM 861 CB VAL A 55 8.484 1.368 -8.231 1.00 0.00 C ATOM 862 CG1 VAL A 55 9.728 1.941 -7.502 1.00 0.00 C ATOM 863 CG2 VAL A 55 7.247 2.231 -7.893 1.00 0.00 C ATOM 0 H VAL A 55 8.667 3.296 -9.990 1.00 0.00 H new ATOM 0 HA VAL A 55 9.722 0.673 -9.833 1.00 0.00 H new ATOM 0 HB VAL A 55 8.265 0.364 -7.868 1.00 0.00 H new ATOM 0 HG11 VAL A 55 9.502 2.071 -6.444 1.00 0.00 H new ATOM 0 HG12 VAL A 55 10.564 1.251 -7.612 1.00 0.00 H new ATOM 0 HG13 VAL A 55 9.993 2.904 -7.938 1.00 0.00 H new ATOM 0 HG21 VAL A 55 7.147 2.316 -6.811 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.367 3.224 -8.325 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.353 1.762 -8.304 1.00 0.00 H new ATOM 873 N ALA A 56 6.652 0.729 -11.049 1.00 0.00 N ATOM 874 CA ALA A 56 5.704 -0.060 -11.891 1.00 0.00 C ATOM 875 C ALA A 56 6.390 -0.778 -13.098 1.00 0.00 C ATOM 876 O ALA A 56 6.188 -1.979 -13.290 1.00 0.00 O ATOM 877 CB ALA A 56 4.549 0.840 -12.380 1.00 0.00 C ATOM 0 H ALA A 56 6.437 1.726 -11.016 1.00 0.00 H new ATOM 0 HA ALA A 56 5.309 -0.851 -11.254 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.865 0.253 -12.993 1.00 0.00 H new ATOM 0 HB2 ALA A 56 4.012 1.242 -11.521 1.00 0.00 H new ATOM 0 HB3 ALA A 56 4.953 1.661 -12.972 1.00 0.00 H new ATOM 883 N MET A 57 7.248 -0.060 -13.856 1.00 0.00 N ATOM 884 CA MET A 57 8.130 -0.675 -14.893 1.00 0.00 C ATOM 885 C MET A 57 9.257 -1.611 -14.317 1.00 0.00 C ATOM 886 O MET A 57 9.751 -2.445 -15.071 1.00 0.00 O ATOM 887 CB MET A 57 8.662 0.422 -15.845 1.00 0.00 C ATOM 888 CG MET A 57 7.558 1.054 -16.725 1.00 0.00 C ATOM 889 SD MET A 57 8.273 2.099 -18.007 1.00 0.00 S ATOM 890 CE MET A 57 6.778 2.875 -18.648 1.00 0.00 C ATOM 0 H MET A 57 7.354 0.951 -13.774 1.00 0.00 H new ATOM 0 HA MET A 57 7.516 -1.363 -15.474 1.00 0.00 H new ATOM 0 HB2 MET A 57 9.140 1.205 -15.256 1.00 0.00 H new ATOM 0 HB3 MET A 57 9.430 -0.006 -16.489 1.00 0.00 H new ATOM 0 HG2 MET A 57 6.959 0.267 -17.184 1.00 0.00 H new ATOM 0 HG3 MET A 57 6.885 1.644 -16.103 1.00 0.00 H new ATOM 0 HE1 MET A 57 7.045 3.769 -19.212 1.00 0.00 H new ATOM 0 HE2 MET A 57 6.257 2.176 -19.302 1.00 0.00 H new ATOM 0 HE3 MET A 57 6.127 3.151 -17.819 1.00 0.00 H new ATOM 900 N ARG A 58 9.670 -1.530 -13.030 1.00 0.00 N ATOM 901 CA ARG A 58 10.562 -2.558 -12.407 1.00 0.00 C ATOM 902 C ARG A 58 9.802 -3.938 -12.268 1.00 0.00 C ATOM 903 O ARG A 58 10.335 -4.947 -12.739 1.00 0.00 O ATOM 904 CB ARG A 58 11.084 -2.143 -11.006 1.00 0.00 C ATOM 905 CG ARG A 58 12.115 -0.994 -10.963 1.00 0.00 C ATOM 906 CD ARG A 58 12.597 -0.778 -9.519 1.00 0.00 C ATOM 907 NE ARG A 58 13.595 0.335 -9.490 1.00 0.00 N ATOM 908 CZ ARG A 58 14.185 0.799 -8.358 1.00 0.00 C ATOM 909 NH1 ARG A 58 13.930 0.292 -7.135 1.00 0.00 N ATOM 910 NH2 ARG A 58 15.071 1.810 -8.466 1.00 0.00 N ATOM 0 H ARG A 58 9.406 -0.772 -12.400 1.00 0.00 H new ATOM 0 HA ARG A 58 11.420 -2.653 -13.073 1.00 0.00 H new ATOM 0 HB2 ARG A 58 10.228 -1.855 -10.395 1.00 0.00 H new ATOM 0 HB3 ARG A 58 11.531 -3.019 -10.536 1.00 0.00 H new ATOM 0 HG2 ARG A 58 12.962 -1.229 -11.607 1.00 0.00 H new ATOM 0 HG3 ARG A 58 11.667 -0.077 -11.347 1.00 0.00 H new ATOM 0 HD2 ARG A 58 11.752 -0.540 -8.873 1.00 0.00 H new ATOM 0 HD3 ARG A 58 13.045 -1.693 -9.133 1.00 0.00 H new ATOM 0 HE ARG A 58 13.849 0.773 -10.376 1.00 0.00 H new ATOM 0 HH11 ARG A 58 13.267 -0.476 -7.029 1.00 0.00 H new ATOM 0 HH12 ARG A 58 14.400 0.676 -6.315 1.00 0.00 H new ATOM 0 HH21 ARG A 58 15.283 2.207 -9.381 1.00 0.00 H new ATOM 0 HH22 ARG A 58 15.529 2.178 -7.632 1.00 0.00 H new ATOM 924 N ALA A 59 8.580 -3.998 -11.671 1.00 0.00 N ATOM 925 CA ALA A 59 7.733 -5.231 -11.695 1.00 0.00 C ATOM 926 C ALA A 59 7.211 -5.706 -13.100 1.00 0.00 C ATOM 927 O ALA A 59 7.393 -6.877 -13.442 1.00 0.00 O ATOM 928 CB ALA A 59 6.571 -4.986 -10.704 1.00 0.00 C ATOM 0 H ALA A 59 8.159 -3.215 -11.170 1.00 0.00 H new ATOM 0 HA ALA A 59 8.369 -6.067 -11.404 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.920 -5.860 -10.683 1.00 0.00 H new ATOM 0 HB2 ALA A 59 6.974 -4.810 -9.707 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.999 -4.115 -11.023 1.00 0.00 H new ATOM 934 N LEU A 60 6.588 -4.829 -13.912 1.00 0.00 N ATOM 935 CA LEU A 60 6.158 -5.145 -15.318 1.00 0.00 C ATOM 936 C LEU A 60 7.288 -5.373 -16.374 1.00 0.00 C ATOM 937 O LEU A 60 7.048 -6.032 -17.383 1.00 0.00 O ATOM 938 CB LEU A 60 5.237 -3.956 -15.728 1.00 0.00 C ATOM 939 CG LEU A 60 4.528 -3.952 -17.107 1.00 0.00 C ATOM 940 CD1 LEU A 60 3.171 -3.222 -17.010 1.00 0.00 C ATOM 941 CD2 LEU A 60 5.359 -3.290 -18.227 1.00 0.00 C ATOM 0 H LEU A 60 6.362 -3.877 -13.625 1.00 0.00 H new ATOM 0 HA LEU A 60 5.666 -6.118 -15.314 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.461 -3.872 -14.967 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.838 -3.049 -15.672 1.00 0.00 H new ATOM 0 HG LEU A 60 4.392 -5.001 -17.371 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.685 -3.227 -17.985 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.535 -3.730 -16.285 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.334 -2.192 -16.691 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.801 -3.324 -19.163 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.564 -2.252 -17.963 1.00 0.00 H new ATOM 0 HD23 LEU A 60 6.300 -3.826 -18.347 1.00 0.00 H new ATOM 953 N GLY A 61 8.482 -4.794 -16.166 1.00 0.00 N ATOM 954 CA GLY A 61 9.594 -4.721 -17.151 1.00 0.00 C ATOM 955 C GLY A 61 9.989 -5.973 -17.952 1.00 0.00 C ATOM 956 O GLY A 61 10.338 -5.813 -19.123 1.00 0.00 O ATOM 0 H GLY A 61 8.716 -4.346 -15.280 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.341 -3.942 -17.870 1.00 0.00 H new ATOM 0 HA3 GLY A 61 10.481 -4.384 -16.615 1.00 0.00 H new ATOM 960 N PHE A 62 9.939 -7.180 -17.345 1.00 0.00 N ATOM 961 CA PHE A 62 10.089 -8.480 -18.051 1.00 0.00 C ATOM 962 C PHE A 62 11.591 -8.791 -18.248 1.00 0.00 C ATOM 963 O PHE A 62 12.389 -7.919 -18.601 1.00 0.00 O ATOM 964 CB PHE A 62 9.358 -8.628 -19.435 1.00 0.00 C ATOM 965 CG PHE A 62 7.846 -8.439 -19.439 1.00 0.00 C ATOM 966 CD1 PHE A 62 7.008 -9.348 -18.767 1.00 0.00 C ATOM 967 CD2 PHE A 62 7.247 -7.432 -20.223 1.00 0.00 C ATOM 968 CE1 PHE A 62 5.617 -9.300 -18.931 1.00 0.00 C ATOM 969 CE2 PHE A 62 5.855 -7.385 -20.392 1.00 0.00 C ATOM 970 CZ PHE A 62 5.044 -8.336 -19.765 1.00 0.00 C ATOM 0 H PHE A 62 9.792 -7.284 -16.341 1.00 0.00 H new ATOM 0 HA PHE A 62 9.590 -9.193 -17.395 1.00 0.00 H new ATOM 0 HB2 PHE A 62 9.792 -7.906 -20.127 1.00 0.00 H new ATOM 0 HB3 PHE A 62 9.577 -9.620 -19.830 1.00 0.00 H new ATOM 0 HD1 PHE A 62 7.442 -10.092 -18.116 1.00 0.00 H new ATOM 0 HD2 PHE A 62 7.867 -6.687 -20.699 1.00 0.00 H new ATOM 0 HE1 PHE A 62 4.988 -10.008 -18.413 1.00 0.00 H new ATOM 0 HE2 PHE A 62 5.410 -6.615 -21.006 1.00 0.00 H new ATOM 0 HZ PHE A 62 3.976 -8.326 -19.925 1.00 0.00 H new ATOM 980 N GLU A 63 11.955 -10.075 -18.132 1.00 0.00 N ATOM 981 CA GLU A 63 13.342 -10.520 -18.531 1.00 0.00 C ATOM 982 C GLU A 63 13.536 -10.327 -20.084 1.00 0.00 C ATOM 983 O GLU A 63 14.295 -9.386 -20.370 1.00 0.00 O ATOM 984 CB GLU A 63 13.841 -11.804 -17.807 1.00 0.00 C ATOM 985 CG GLU A 63 14.349 -11.494 -16.360 1.00 0.00 C ATOM 986 CD GLU A 63 15.723 -10.812 -16.325 1.00 0.00 C ATOM 987 OE1 GLU A 63 15.820 -9.589 -16.604 1.00 0.00 O ATOM 988 OE2 GLU A 63 16.708 -11.512 -15.984 1.00 0.00 O ATOM 0 H GLU A 63 11.350 -10.817 -17.781 1.00 0.00 H new ATOM 0 HA GLU A 63 14.107 -9.862 -18.119 1.00 0.00 H new ATOM 0 HB2 GLU A 63 13.032 -12.533 -17.760 1.00 0.00 H new ATOM 0 HB3 GLU A 63 14.646 -12.258 -18.385 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.623 -10.855 -15.858 1.00 0.00 H new ATOM 0 HG3 GLU A 63 14.400 -12.424 -15.795 1.00 0.00 H new ATOM 995 N PRO A 64 12.902 -10.969 -21.110 1.00 0.00 N ATOM 996 CA PRO A 64 13.028 -10.499 -22.523 1.00 0.00 C ATOM 997 C PRO A 64 12.382 -9.070 -22.748 1.00 0.00 C ATOM 998 O PRO A 64 11.169 -8.927 -22.942 1.00 0.00 O ATOM 999 CB PRO A 64 12.263 -11.604 -23.262 1.00 0.00 C ATOM 1000 CG PRO A 64 12.401 -12.850 -22.375 1.00 0.00 C ATOM 1001 CD PRO A 64 12.164 -12.240 -21.001 1.00 0.00 C ATOM 0 HA PRO A 64 14.056 -10.361 -22.857 1.00 0.00 H new ATOM 0 HB2 PRO A 64 11.216 -11.333 -23.401 1.00 0.00 H new ATOM 0 HB3 PRO A 64 12.682 -11.778 -24.253 1.00 0.00 H new ATOM 0 HG2 PRO A 64 11.666 -13.617 -22.620 1.00 0.00 H new ATOM 0 HG3 PRO A 64 13.385 -13.312 -22.459 1.00 0.00 H new ATOM 0 HD2 PRO A 64 11.104 -12.083 -20.800 1.00 0.00 H new ATOM 0 HD3 PRO A 64 12.550 -12.871 -20.200 1.00 0.00 H new ATOM 1009 N LYS A 65 13.208 -8.011 -22.724 1.00 0.00 N ATOM 1010 CA LYS A 65 12.714 -6.593 -22.695 1.00 0.00 C ATOM 1011 C LYS A 65 12.304 -5.940 -24.046 1.00 0.00 C ATOM 1012 O LYS A 65 11.320 -5.198 -24.050 1.00 0.00 O ATOM 1013 CB LYS A 65 13.791 -5.712 -21.981 1.00 0.00 C ATOM 1014 CG LYS A 65 13.869 -5.998 -20.463 1.00 0.00 C ATOM 1015 CD LYS A 65 15.165 -5.576 -19.738 1.00 0.00 C ATOM 1016 CE LYS A 65 15.331 -6.266 -18.361 1.00 0.00 C ATOM 1017 NZ LYS A 65 15.733 -7.701 -18.508 1.00 0.00 N ATOM 0 H LYS A 65 14.225 -8.093 -22.724 1.00 0.00 H new ATOM 0 HA LYS A 65 11.769 -6.642 -22.154 1.00 0.00 H new ATOM 0 HB2 LYS A 65 14.766 -5.895 -22.434 1.00 0.00 H new ATOM 0 HB3 LYS A 65 13.559 -4.659 -22.139 1.00 0.00 H new ATOM 0 HG2 LYS A 65 13.031 -5.496 -19.980 1.00 0.00 H new ATOM 0 HG3 LYS A 65 13.729 -7.068 -20.312 1.00 0.00 H new ATOM 0 HD2 LYS A 65 16.023 -5.817 -20.366 1.00 0.00 H new ATOM 0 HD3 LYS A 65 15.164 -4.495 -19.600 1.00 0.00 H new ATOM 0 HE2 LYS A 65 16.082 -5.735 -17.776 1.00 0.00 H new ATOM 0 HE3 LYS A 65 14.394 -6.205 -17.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 15.671 -8.175 -17.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 15.097 -8.172 -19.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 16.711 -7.753 -18.859 1.00 0.00 H new ATOM 1031 N LYS A 66 13.062 -6.132 -25.149 1.00 0.00 N ATOM 1032 CA LYS A 66 12.879 -5.378 -26.434 1.00 0.00 C ATOM 1033 C LYS A 66 13.167 -3.835 -26.305 1.00 0.00 C ATOM 1034 O LYS A 66 13.394 -3.286 -25.218 1.00 0.00 O ATOM 1035 CB LYS A 66 11.503 -5.718 -27.111 1.00 0.00 C ATOM 1036 CG LYS A 66 11.435 -7.107 -27.791 1.00 0.00 C ATOM 1037 CD LYS A 66 12.184 -7.160 -29.138 1.00 0.00 C ATOM 1038 CE LYS A 66 12.142 -8.545 -29.806 1.00 0.00 C ATOM 1039 NZ LYS A 66 12.846 -8.507 -31.121 1.00 0.00 N ATOM 0 H LYS A 66 13.821 -6.812 -25.185 1.00 0.00 H new ATOM 0 HA LYS A 66 13.650 -5.730 -27.119 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.719 -5.661 -26.355 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.283 -4.954 -27.857 1.00 0.00 H new ATOM 0 HG2 LYS A 66 11.856 -7.855 -27.119 1.00 0.00 H new ATOM 0 HG3 LYS A 66 10.391 -7.375 -27.952 1.00 0.00 H new ATOM 0 HD2 LYS A 66 11.750 -6.425 -29.816 1.00 0.00 H new ATOM 0 HD3 LYS A 66 13.223 -6.873 -28.979 1.00 0.00 H new ATOM 0 HE2 LYS A 66 12.611 -9.284 -29.156 1.00 0.00 H new ATOM 0 HE3 LYS A 66 11.107 -8.856 -29.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 12.810 -9.449 -31.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 12.381 -7.816 -31.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 13.838 -8.230 -30.976 1.00 0.00 H new ATOM 1053 N GLU A 67 13.182 -3.126 -27.449 1.00 0.00 N ATOM 1054 CA GLU A 67 13.372 -1.643 -27.477 1.00 0.00 C ATOM 1055 C GLU A 67 12.048 -0.884 -27.122 1.00 0.00 C ATOM 1056 O GLU A 67 11.348 -0.337 -27.989 1.00 0.00 O ATOM 1057 CB GLU A 67 13.910 -1.209 -28.880 1.00 0.00 C ATOM 1058 CG GLU A 67 15.436 -1.381 -29.121 1.00 0.00 C ATOM 1059 CD GLU A 67 15.808 -0.978 -30.551 1.00 0.00 C ATOM 1060 OE1 GLU A 67 15.844 0.247 -30.830 1.00 0.00 O ATOM 1061 OE2 GLU A 67 16.059 -1.882 -31.385 1.00 0.00 O ATOM 0 H GLU A 67 13.066 -3.546 -28.371 1.00 0.00 H new ATOM 0 HA GLU A 67 14.105 -1.375 -26.716 1.00 0.00 H new ATOM 0 HB2 GLU A 67 13.378 -1.780 -29.641 1.00 0.00 H new ATOM 0 HB3 GLU A 67 13.656 -0.160 -29.033 1.00 0.00 H new ATOM 0 HG2 GLU A 67 15.992 -0.771 -28.410 1.00 0.00 H new ATOM 0 HG3 GLU A 67 15.722 -2.418 -28.944 1.00 0.00 H new ATOM 1068 N GLU A 68 11.707 -0.851 -25.819 1.00 0.00 N ATOM 1069 CA GLU A 68 10.414 -0.292 -25.351 1.00 0.00 C ATOM 1070 C GLU A 68 10.468 0.257 -23.899 1.00 0.00 C ATOM 1071 O GLU A 68 10.057 1.400 -23.739 1.00 0.00 O ATOM 1072 CB GLU A 68 9.218 -1.266 -25.617 1.00 0.00 C ATOM 1073 CG GLU A 68 9.278 -2.712 -25.070 1.00 0.00 C ATOM 1074 CD GLU A 68 8.064 -3.500 -25.563 1.00 0.00 C ATOM 1075 OE1 GLU A 68 6.957 -3.290 -25.005 1.00 0.00 O ATOM 1076 OE2 GLU A 68 8.226 -4.303 -26.517 1.00 0.00 O ATOM 0 H GLU A 68 12.304 -1.203 -25.070 1.00 0.00 H new ATOM 0 HA GLU A 68 10.221 0.588 -25.964 1.00 0.00 H new ATOM 0 HB2 GLU A 68 8.320 -0.800 -25.211 1.00 0.00 H new ATOM 0 HB3 GLU A 68 9.083 -1.330 -26.697 1.00 0.00 H new ATOM 0 HG2 GLU A 68 10.197 -3.198 -25.399 1.00 0.00 H new ATOM 0 HG3 GLU A 68 9.297 -2.698 -23.980 1.00 0.00 H new ATOM 1083 N ILE A 69 10.919 -0.431 -22.832 1.00 0.00 N ATOM 1084 CA ILE A 69 10.752 0.093 -21.427 1.00 0.00 C ATOM 1085 C ILE A 69 11.690 1.320 -21.116 1.00 0.00 C ATOM 1086 O ILE A 69 11.209 2.338 -20.592 1.00 0.00 O ATOM 1087 CB ILE A 69 10.797 -1.031 -20.344 1.00 0.00 C ATOM 1088 CG1 ILE A 69 9.563 -1.990 -20.413 1.00 0.00 C ATOM 1089 CG2 ILE A 69 10.820 -0.375 -18.944 1.00 0.00 C ATOM 1090 CD1 ILE A 69 8.305 -1.394 -19.761 1.00 0.00 C ATOM 0 H ILE A 69 11.393 -1.332 -22.893 1.00 0.00 H new ATOM 0 HA ILE A 69 9.739 0.491 -21.372 1.00 0.00 H new ATOM 0 HB ILE A 69 11.693 -1.623 -20.531 1.00 0.00 H new ATOM 0 HG12 ILE A 69 9.349 -2.224 -21.456 1.00 0.00 H new ATOM 0 HG13 ILE A 69 9.811 -2.930 -19.920 1.00 0.00 H new ATOM 0 HG21 ILE A 69 10.851 -1.151 -18.179 1.00 0.00 H new ATOM 0 HG22 ILE A 69 11.702 0.259 -18.854 1.00 0.00 H new ATOM 0 HG23 ILE A 69 9.923 0.230 -18.811 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.483 -2.105 -19.840 1.00 0.00 H new ATOM 0 HD12 ILE A 69 8.504 -1.185 -18.710 1.00 0.00 H new ATOM 0 HD13 ILE A 69 8.035 -0.469 -20.270 1.00 0.00 H new ATOM 1102 N LYS A 70 12.989 1.269 -21.496 1.00 0.00 N ATOM 1103 CA LYS A 70 13.885 2.466 -21.443 1.00 0.00 C ATOM 1104 C LYS A 70 13.438 3.633 -22.401 1.00 0.00 C ATOM 1105 O LYS A 70 13.477 4.800 -21.999 1.00 0.00 O ATOM 1106 CB LYS A 70 15.354 2.014 -21.658 1.00 0.00 C ATOM 1107 CG LYS A 70 16.397 3.042 -21.184 1.00 0.00 C ATOM 1108 CD LYS A 70 17.845 2.525 -21.283 1.00 0.00 C ATOM 1109 CE LYS A 70 18.873 3.515 -20.706 1.00 0.00 C ATOM 1110 NZ LYS A 70 20.257 2.974 -20.840 1.00 0.00 N ATOM 0 H LYS A 70 13.444 0.423 -21.841 1.00 0.00 H new ATOM 0 HA LYS A 70 13.804 2.910 -20.451 1.00 0.00 H new ATOM 0 HB2 LYS A 70 15.516 1.075 -21.128 1.00 0.00 H new ATOM 0 HB3 LYS A 70 15.511 1.813 -22.718 1.00 0.00 H new ATOM 0 HG2 LYS A 70 16.300 3.950 -21.780 1.00 0.00 H new ATOM 0 HG3 LYS A 70 16.185 3.315 -20.150 1.00 0.00 H new ATOM 0 HD2 LYS A 70 17.924 1.576 -20.753 1.00 0.00 H new ATOM 0 HD3 LYS A 70 18.085 2.327 -22.328 1.00 0.00 H new ATOM 0 HE2 LYS A 70 18.798 4.470 -21.227 1.00 0.00 H new ATOM 0 HE3 LYS A 70 18.652 3.706 -19.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 20.936 3.656 -20.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 20.330 2.074 -20.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 20.471 2.814 -21.845 1.00 0.00 H new ATOM 1124 N LYS A 71 12.973 3.313 -23.630 1.00 0.00 N ATOM 1125 CA LYS A 71 12.320 4.301 -24.535 1.00 0.00 C ATOM 1126 C LYS A 71 10.999 4.906 -23.951 1.00 0.00 C ATOM 1127 O LYS A 71 10.921 6.125 -23.911 1.00 0.00 O ATOM 1128 CB LYS A 71 12.080 3.695 -25.948 1.00 0.00 C ATOM 1129 CG LYS A 71 13.376 3.427 -26.752 1.00 0.00 C ATOM 1130 CD LYS A 71 13.117 2.959 -28.200 1.00 0.00 C ATOM 1131 CE LYS A 71 14.427 2.666 -28.957 1.00 0.00 C ATOM 1132 NZ LYS A 71 14.185 2.186 -30.348 1.00 0.00 N ATOM 0 H LYS A 71 13.036 2.374 -24.024 1.00 0.00 H new ATOM 0 HA LYS A 71 13.019 5.133 -24.625 1.00 0.00 H new ATOM 0 HB2 LYS A 71 11.532 2.759 -25.841 1.00 0.00 H new ATOM 0 HB3 LYS A 71 11.445 4.373 -26.519 1.00 0.00 H new ATOM 0 HG2 LYS A 71 13.975 4.337 -26.775 1.00 0.00 H new ATOM 0 HG3 LYS A 71 13.965 2.670 -26.234 1.00 0.00 H new ATOM 0 HD2 LYS A 71 12.499 2.062 -28.185 1.00 0.00 H new ATOM 0 HD3 LYS A 71 12.554 3.725 -28.733 1.00 0.00 H new ATOM 0 HE2 LYS A 71 15.035 3.570 -28.988 1.00 0.00 H new ATOM 0 HE3 LYS A 71 14.999 1.916 -28.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 14.997 1.618 -30.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 13.325 1.602 -30.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 14.065 3.002 -30.981 1.00 0.00 H new ATOM 1146 N MET A 72 10.010 4.129 -23.458 1.00 0.00 N ATOM 1147 CA MET A 72 8.755 4.661 -22.839 1.00 0.00 C ATOM 1148 C MET A 72 8.989 5.644 -21.638 1.00 0.00 C ATOM 1149 O MET A 72 8.321 6.681 -21.619 1.00 0.00 O ATOM 1150 CB MET A 72 7.805 3.497 -22.420 1.00 0.00 C ATOM 1151 CG MET A 72 6.816 3.016 -23.517 1.00 0.00 C ATOM 1152 SD MET A 72 7.519 2.002 -24.840 1.00 0.00 S ATOM 1153 CE MET A 72 7.899 3.226 -26.113 1.00 0.00 C ATOM 0 H MET A 72 10.050 3.110 -23.474 1.00 0.00 H new ATOM 0 HA MET A 72 8.280 5.258 -23.618 1.00 0.00 H new ATOM 0 HB2 MET A 72 8.414 2.649 -22.106 1.00 0.00 H new ATOM 0 HB3 MET A 72 7.230 3.815 -21.551 1.00 0.00 H new ATOM 0 HG2 MET A 72 6.021 2.447 -23.035 1.00 0.00 H new ATOM 0 HG3 MET A 72 6.352 3.893 -23.968 1.00 0.00 H new ATOM 0 HE1 MET A 72 8.871 3.003 -26.553 1.00 0.00 H new ATOM 0 HE2 MET A 72 7.134 3.194 -26.888 1.00 0.00 H new ATOM 0 HE3 MET A 72 7.922 4.220 -25.667 1.00 0.00 H new ATOM 1163 N ILE A 73 9.927 5.397 -20.680 1.00 0.00 N ATOM 1164 CA ILE A 73 10.298 6.445 -19.663 1.00 0.00 C ATOM 1165 C ILE A 73 10.985 7.701 -20.310 1.00 0.00 C ATOM 1166 O ILE A 73 10.507 8.812 -20.068 1.00 0.00 O ATOM 1167 CB ILE A 73 11.086 5.876 -18.466 1.00 0.00 C ATOM 1168 CG1 ILE A 73 10.322 4.798 -17.643 1.00 0.00 C ATOM 1169 CG2 ILE A 73 11.365 7.048 -17.582 1.00 0.00 C ATOM 1170 CD1 ILE A 73 9.012 5.264 -16.974 1.00 0.00 C ATOM 0 H ILE A 73 10.430 4.515 -20.584 1.00 0.00 H new ATOM 0 HA ILE A 73 9.356 6.801 -19.246 1.00 0.00 H new ATOM 0 HB ILE A 73 11.977 5.372 -18.842 1.00 0.00 H new ATOM 0 HG12 ILE A 73 10.093 3.961 -18.302 1.00 0.00 H new ATOM 0 HG13 ILE A 73 10.989 4.420 -16.868 1.00 0.00 H new ATOM 0 HG21 ILE A 73 11.925 6.718 -16.707 1.00 0.00 H new ATOM 0 HG22 ILE A 73 11.950 7.786 -18.130 1.00 0.00 H new ATOM 0 HG23 ILE A 73 10.424 7.496 -17.263 1.00 0.00 H new ATOM 0 HD11 ILE A 73 8.566 4.432 -16.429 1.00 0.00 H new ATOM 0 HD12 ILE A 73 9.227 6.078 -16.282 1.00 0.00 H new ATOM 0 HD13 ILE A 73 8.317 5.611 -17.738 1.00 0.00 H new ATOM 1182 N SER A 74 12.036 7.569 -21.150 1.00 0.00 N ATOM 1183 CA SER A 74 12.656 8.734 -21.855 1.00 0.00 C ATOM 1184 C SER A 74 11.745 9.530 -22.869 1.00 0.00 C ATOM 1185 O SER A 74 11.927 10.734 -23.058 1.00 0.00 O ATOM 1186 CB SER A 74 13.944 8.245 -22.567 1.00 0.00 C ATOM 1187 OG SER A 74 14.888 7.737 -21.622 1.00 0.00 O ATOM 0 H SER A 74 12.478 6.674 -21.362 1.00 0.00 H new ATOM 0 HA SER A 74 12.856 9.466 -21.073 1.00 0.00 H new ATOM 0 HB2 SER A 74 13.692 7.468 -23.289 1.00 0.00 H new ATOM 0 HB3 SER A 74 14.390 9.068 -23.126 1.00 0.00 H new ATOM 0 HG SER A 74 15.691 7.433 -22.093 1.00 0.00 H new ATOM 1193 N GLU A 75 10.779 8.853 -23.502 1.00 0.00 N ATOM 1194 CA GLU A 75 9.715 9.426 -24.369 1.00 0.00 C ATOM 1195 C GLU A 75 8.642 10.253 -23.585 1.00 0.00 C ATOM 1196 O GLU A 75 8.474 11.436 -23.907 1.00 0.00 O ATOM 1197 CB GLU A 75 9.131 8.208 -25.157 1.00 0.00 C ATOM 1198 CG GLU A 75 8.101 8.460 -26.272 1.00 0.00 C ATOM 1199 CD GLU A 75 7.726 7.137 -26.949 1.00 0.00 C ATOM 1200 OE1 GLU A 75 8.440 6.731 -27.905 1.00 0.00 O ATOM 1201 OE2 GLU A 75 6.727 6.509 -26.515 1.00 0.00 O ATOM 0 H GLU A 75 10.705 7.838 -23.426 1.00 0.00 H new ATOM 0 HA GLU A 75 10.119 10.174 -25.051 1.00 0.00 H new ATOM 0 HB2 GLU A 75 9.970 7.671 -25.600 1.00 0.00 H new ATOM 0 HB3 GLU A 75 8.671 7.537 -24.431 1.00 0.00 H new ATOM 0 HG2 GLU A 75 7.210 8.930 -25.856 1.00 0.00 H new ATOM 0 HG3 GLU A 75 8.512 9.151 -27.008 1.00 0.00 H new ATOM 1208 N ILE A 76 7.963 9.704 -22.551 1.00 0.00 N ATOM 1209 CA ILE A 76 6.947 10.475 -21.752 1.00 0.00 C ATOM 1210 C ILE A 76 7.599 11.477 -20.716 1.00 0.00 C ATOM 1211 O ILE A 76 6.909 12.430 -20.334 1.00 0.00 O ATOM 1212 CB ILE A 76 5.790 9.563 -21.218 1.00 0.00 C ATOM 1213 CG1 ILE A 76 5.208 8.518 -22.252 1.00 0.00 C ATOM 1214 CG2 ILE A 76 4.661 10.531 -20.792 1.00 0.00 C ATOM 1215 CD1 ILE A 76 3.679 8.379 -22.149 1.00 0.00 C ATOM 0 H ILE A 76 8.089 8.740 -22.242 1.00 0.00 H new ATOM 0 HA ILE A 76 6.434 11.152 -22.435 1.00 0.00 H new ATOM 0 HB ILE A 76 6.193 8.950 -20.412 1.00 0.00 H new ATOM 0 HG12 ILE A 76 5.475 8.825 -23.263 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.671 7.546 -22.081 1.00 0.00 H new ATOM 0 HG21 ILE A 76 3.817 9.959 -20.407 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.030 11.201 -20.015 1.00 0.00 H new ATOM 0 HG23 ILE A 76 4.340 11.117 -21.653 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.330 7.650 -22.880 1.00 0.00 H new ATOM 0 HD12 ILE A 76 3.411 8.045 -21.147 1.00 0.00 H new ATOM 0 HD13 ILE A 76 3.212 9.344 -22.347 1.00 0.00 H new ATOM 1227 N ASP A 77 8.882 11.345 -20.283 1.00 0.00 N ATOM 1228 CA ASP A 77 9.591 12.408 -19.487 1.00 0.00 C ATOM 1229 C ASP A 77 9.932 13.585 -20.475 1.00 0.00 C ATOM 1230 O ASP A 77 10.990 13.602 -21.113 1.00 0.00 O ATOM 1231 CB ASP A 77 10.889 11.979 -18.707 1.00 0.00 C ATOM 1232 CG ASP A 77 10.673 11.234 -17.380 1.00 0.00 C ATOM 1233 OD1 ASP A 77 10.349 11.904 -16.365 1.00 0.00 O ATOM 1234 OD2 ASP A 77 10.895 9.999 -17.325 1.00 0.00 O ATOM 0 H ASP A 77 9.452 10.519 -20.466 1.00 0.00 H new ATOM 0 HA ASP A 77 8.903 12.687 -18.689 1.00 0.00 H new ATOM 0 HB2 ASP A 77 11.487 11.345 -19.361 1.00 0.00 H new ATOM 0 HB3 ASP A 77 11.478 12.874 -18.505 1.00 0.00 H new ATOM 1239 N LYS A 78 9.005 14.553 -20.644 1.00 0.00 N ATOM 1240 CA LYS A 78 9.104 15.593 -21.711 1.00 0.00 C ATOM 1241 C LYS A 78 8.793 17.062 -21.275 1.00 0.00 C ATOM 1242 O LYS A 78 9.601 17.954 -21.539 1.00 0.00 O ATOM 1243 CB LYS A 78 8.206 15.130 -22.902 1.00 0.00 C ATOM 1244 CG LYS A 78 8.629 15.649 -24.293 1.00 0.00 C ATOM 1245 CD LYS A 78 9.318 14.626 -25.233 1.00 0.00 C ATOM 1246 CE LYS A 78 10.727 14.125 -24.838 1.00 0.00 C ATOM 1247 NZ LYS A 78 10.666 13.081 -23.780 1.00 0.00 N ATOM 0 H LYS A 78 8.175 14.642 -20.058 1.00 0.00 H new ATOM 0 HA LYS A 78 10.153 15.660 -21.999 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.199 14.040 -22.927 1.00 0.00 H new ATOM 0 HB3 LYS A 78 7.182 15.451 -22.709 1.00 0.00 H new ATOM 0 HG2 LYS A 78 7.743 16.033 -24.798 1.00 0.00 H new ATOM 0 HG3 LYS A 78 9.306 16.492 -24.151 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.665 13.758 -25.320 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.387 15.074 -26.224 1.00 0.00 H new ATOM 0 HE2 LYS A 78 11.229 13.722 -25.718 1.00 0.00 H new ATOM 0 HE3 LYS A 78 11.326 14.965 -24.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 11.330 12.314 -24.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 10.924 13.500 -22.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 9.701 12.698 -23.726 1.00 0.00 H new ATOM 1261 N GLU A 79 7.625 17.315 -20.667 1.00 0.00 N ATOM 1262 CA GLU A 79 7.104 18.690 -20.393 1.00 0.00 C ATOM 1263 C GLU A 79 7.413 19.088 -18.914 1.00 0.00 C ATOM 1264 O GLU A 79 8.108 20.072 -18.645 1.00 0.00 O ATOM 1265 CB GLU A 79 5.572 18.813 -20.716 1.00 0.00 C ATOM 1266 CG GLU A 79 5.055 18.247 -22.081 1.00 0.00 C ATOM 1267 CD GLU A 79 4.850 16.729 -22.169 1.00 0.00 C ATOM 1268 OE1 GLU A 79 4.847 16.042 -21.118 1.00 0.00 O ATOM 1269 OE2 GLU A 79 4.705 16.229 -23.312 1.00 0.00 O ATOM 0 H GLU A 79 7.001 16.576 -20.344 1.00 0.00 H new ATOM 0 HA GLU A 79 7.615 19.388 -21.057 1.00 0.00 H new ATOM 0 HB2 GLU A 79 5.023 18.312 -19.919 1.00 0.00 H new ATOM 0 HB3 GLU A 79 5.306 19.869 -20.672 1.00 0.00 H new ATOM 0 HG2 GLU A 79 4.106 18.732 -22.312 1.00 0.00 H new ATOM 0 HG3 GLU A 79 5.760 18.540 -22.859 1.00 0.00 H new ATOM 1276 N GLY A 80 6.877 18.299 -17.971 1.00 0.00 N ATOM 1277 CA GLY A 80 7.225 18.369 -16.536 1.00 0.00 C ATOM 1278 C GLY A 80 7.463 16.960 -15.958 1.00 0.00 C ATOM 1279 O GLY A 80 6.775 16.553 -15.022 1.00 0.00 O ATOM 0 H GLY A 80 6.181 17.584 -18.182 1.00 0.00 H new ATOM 0 HA2 GLY A 80 8.120 18.976 -16.404 1.00 0.00 H new ATOM 0 HA3 GLY A 80 6.422 18.861 -15.987 1.00 0.00 H new ATOM 1283 N THR A 81 8.411 16.212 -16.558 1.00 0.00 N ATOM 1284 CA THR A 81 8.689 14.769 -16.256 1.00 0.00 C ATOM 1285 C THR A 81 7.476 13.834 -16.654 1.00 0.00 C ATOM 1286 O THR A 81 6.463 14.265 -17.222 1.00 0.00 O ATOM 1287 CB THR A 81 9.324 14.627 -14.834 1.00 0.00 C ATOM 1288 OG1 THR A 81 8.475 15.088 -13.789 1.00 0.00 O ATOM 1289 CG2 THR A 81 10.666 15.398 -14.703 1.00 0.00 C ATOM 0 H THR A 81 9.023 16.589 -17.281 1.00 0.00 H new ATOM 0 HA THR A 81 9.467 14.370 -16.907 1.00 0.00 H new ATOM 0 HB THR A 81 9.487 13.555 -14.727 1.00 0.00 H new ATOM 0 HG1 THR A 81 7.617 15.373 -14.167 1.00 0.00 H new ATOM 0 HG21 THR A 81 11.064 15.267 -13.697 1.00 0.00 H new ATOM 0 HG22 THR A 81 11.380 15.011 -15.430 1.00 0.00 H new ATOM 0 HG23 THR A 81 10.496 16.458 -14.890 1.00 0.00 H new ATOM 1297 N GLY A 82 7.625 12.516 -16.446 1.00 0.00 N ATOM 1298 CA GLY A 82 6.685 11.495 -16.967 1.00 0.00 C ATOM 1299 C GLY A 82 5.502 11.104 -16.081 1.00 0.00 C ATOM 1300 O GLY A 82 5.569 10.204 -15.244 1.00 0.00 O ATOM 0 H GLY A 82 8.400 12.122 -15.912 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.289 11.856 -17.916 1.00 0.00 H new ATOM 0 HA3 GLY A 82 7.256 10.592 -17.183 1.00 0.00 H new ATOM 1304 N LYS A 83 4.406 11.779 -16.378 1.00 0.00 N ATOM 1305 CA LYS A 83 3.057 11.455 -15.841 1.00 0.00 C ATOM 1306 C LYS A 83 2.272 10.686 -16.942 1.00 0.00 C ATOM 1307 O LYS A 83 2.202 11.118 -18.099 1.00 0.00 O ATOM 1308 CB LYS A 83 2.261 12.670 -15.286 1.00 0.00 C ATOM 1309 CG LYS A 83 1.794 13.795 -16.239 1.00 0.00 C ATOM 1310 CD LYS A 83 2.908 14.698 -16.801 1.00 0.00 C ATOM 1311 CE LYS A 83 3.172 14.512 -18.305 1.00 0.00 C ATOM 1312 NZ LYS A 83 4.355 15.325 -18.676 1.00 0.00 N ATOM 0 H LYS A 83 4.407 12.583 -17.006 1.00 0.00 H new ATOM 0 HA LYS A 83 3.193 10.829 -14.959 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.373 12.276 -14.792 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.876 13.134 -14.515 1.00 0.00 H new ATOM 0 HG2 LYS A 83 1.263 13.341 -17.075 1.00 0.00 H new ATOM 0 HG3 LYS A 83 1.077 14.421 -15.709 1.00 0.00 H new ATOM 0 HD2 LYS A 83 2.644 15.739 -16.616 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.830 14.501 -16.255 1.00 0.00 H new ATOM 0 HE2 LYS A 83 3.348 13.461 -18.532 1.00 0.00 H new ATOM 0 HE3 LYS A 83 2.302 14.822 -18.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 4.420 15.391 -19.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 4.260 16.279 -18.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 5.216 14.876 -18.303 1.00 0.00 H new ATOM 1326 N MET A 84 1.728 9.523 -16.573 1.00 0.00 N ATOM 1327 CA MET A 84 1.085 8.595 -17.534 1.00 0.00 C ATOM 1328 C MET A 84 -0.389 8.344 -17.144 1.00 0.00 C ATOM 1329 O MET A 84 -0.668 8.019 -15.988 1.00 0.00 O ATOM 1330 CB MET A 84 1.853 7.252 -17.561 1.00 0.00 C ATOM 1331 CG MET A 84 1.722 6.454 -18.862 1.00 0.00 C ATOM 1332 SD MET A 84 3.017 5.205 -18.922 1.00 0.00 S ATOM 1333 CE MET A 84 2.932 4.712 -20.638 1.00 0.00 C ATOM 0 H MET A 84 1.716 9.191 -15.609 1.00 0.00 H new ATOM 0 HA MET A 84 1.112 9.049 -18.525 1.00 0.00 H new ATOM 0 HB2 MET A 84 2.909 7.452 -17.380 1.00 0.00 H new ATOM 0 HB3 MET A 84 1.500 6.633 -16.736 1.00 0.00 H new ATOM 0 HG2 MET A 84 0.741 5.981 -18.916 1.00 0.00 H new ATOM 0 HG3 MET A 84 1.802 7.120 -19.721 1.00 0.00 H new ATOM 0 HE1 MET A 84 3.503 3.794 -20.782 1.00 0.00 H new ATOM 0 HE2 MET A 84 1.892 4.540 -20.916 1.00 0.00 H new ATOM 0 HE3 MET A 84 3.349 5.501 -21.264 1.00 0.00 H new ATOM 1343 N ASN A 85 -1.308 8.385 -18.120 1.00 0.00 N ATOM 1344 CA ASN A 85 -2.710 7.946 -17.909 1.00 0.00 C ATOM 1345 C ASN A 85 -2.905 6.492 -18.456 1.00 0.00 C ATOM 1346 O ASN A 85 -2.046 5.921 -19.143 1.00 0.00 O ATOM 1347 CB ASN A 85 -3.716 9.015 -18.450 1.00 0.00 C ATOM 1348 CG ASN A 85 -4.101 8.962 -19.932 1.00 0.00 C ATOM 1349 OD1 ASN A 85 -5.068 8.289 -20.303 1.00 0.00 O ATOM 1350 ND2 ASN A 85 -3.395 9.682 -20.818 1.00 0.00 N ATOM 0 H ASN A 85 -1.113 8.716 -19.065 1.00 0.00 H new ATOM 0 HA ASN A 85 -2.935 7.882 -16.844 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -4.632 8.936 -17.865 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -3.294 10.000 -18.251 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -3.656 9.675 -21.804 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -2.598 10.236 -20.505 1.00 0.00 H new ATOM 1357 N PHE A 86 -4.052 5.864 -18.132 1.00 0.00 N ATOM 1358 CA PHE A 86 -4.317 4.461 -18.583 1.00 0.00 C ATOM 1359 C PHE A 86 -4.519 4.316 -20.134 1.00 0.00 C ATOM 1360 O PHE A 86 -4.194 3.256 -20.670 1.00 0.00 O ATOM 1361 CB PHE A 86 -5.431 3.819 -17.710 1.00 0.00 C ATOM 1362 CG PHE A 86 -5.452 2.297 -17.741 1.00 0.00 C ATOM 1363 CD1 PHE A 86 -4.322 1.549 -17.373 1.00 0.00 C ATOM 1364 CD2 PHE A 86 -6.620 1.600 -18.100 1.00 0.00 C ATOM 1365 CE1 PHE A 86 -4.369 0.160 -17.362 1.00 0.00 C ATOM 1366 CE2 PHE A 86 -6.656 0.199 -18.105 1.00 0.00 C ATOM 1367 CZ PHE A 86 -5.519 -0.530 -17.749 1.00 0.00 C ATOM 0 H PHE A 86 -4.798 6.281 -17.576 1.00 0.00 H new ATOM 0 HA PHE A 86 -3.412 3.877 -18.415 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.303 4.148 -16.679 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -6.399 4.191 -18.046 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -3.410 2.057 -17.097 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -7.505 2.154 -18.377 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -3.498 -0.397 -17.048 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -7.563 -0.317 -18.384 1.00 0.00 H new ATOM 0 HZ PHE A 86 -5.529 -1.610 -17.773 1.00 0.00 H new ATOM 1377 N GLY A 87 -4.995 5.352 -20.860 1.00 0.00 N ATOM 1378 CA GLY A 87 -4.989 5.362 -22.349 1.00 0.00 C ATOM 1379 C GLY A 87 -3.558 5.294 -22.976 1.00 0.00 C ATOM 1380 O GLY A 87 -3.349 4.481 -23.878 1.00 0.00 O ATOM 0 H GLY A 87 -5.390 6.195 -20.443 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -5.574 4.517 -22.711 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -5.486 6.267 -22.699 1.00 0.00 H new ATOM 1384 N ASP A 88 -2.568 6.073 -22.464 1.00 0.00 N ATOM 1385 CA ASP A 88 -1.122 5.921 -22.837 1.00 0.00 C ATOM 1386 C ASP A 88 -0.594 4.475 -22.512 1.00 0.00 C ATOM 1387 O ASP A 88 -0.091 3.785 -23.400 1.00 0.00 O ATOM 1388 CB ASP A 88 -0.151 6.963 -22.162 1.00 0.00 C ATOM 1389 CG ASP A 88 -0.649 8.406 -21.979 1.00 0.00 C ATOM 1390 OD1 ASP A 88 -0.995 9.071 -22.986 1.00 0.00 O ATOM 1391 OD2 ASP A 88 -0.667 8.874 -20.807 1.00 0.00 O ATOM 0 H ASP A 88 -2.739 6.818 -21.788 1.00 0.00 H new ATOM 0 HA ASP A 88 -1.108 6.111 -23.910 1.00 0.00 H new ATOM 0 HB2 ASP A 88 0.121 6.577 -21.179 1.00 0.00 H new ATOM 0 HB3 ASP A 88 0.763 6.999 -22.754 1.00 0.00 H new ATOM 1396 N PHE A 89 -0.770 4.019 -21.250 1.00 0.00 N ATOM 1397 CA PHE A 89 -0.382 2.662 -20.768 1.00 0.00 C ATOM 1398 C PHE A 89 -0.938 1.450 -21.592 1.00 0.00 C ATOM 1399 O PHE A 89 -0.170 0.569 -21.993 1.00 0.00 O ATOM 1400 CB PHE A 89 -0.796 2.612 -19.258 1.00 0.00 C ATOM 1401 CG PHE A 89 0.047 1.755 -18.344 1.00 0.00 C ATOM 1402 CD1 PHE A 89 1.299 2.146 -17.862 1.00 0.00 C ATOM 1403 CD2 PHE A 89 -0.511 0.633 -17.771 1.00 0.00 C ATOM 1404 CE1 PHE A 89 1.989 1.394 -16.895 1.00 0.00 C ATOM 1405 CE2 PHE A 89 0.167 -0.136 -16.795 1.00 0.00 C ATOM 1406 CZ PHE A 89 1.426 0.234 -16.374 1.00 0.00 C ATOM 0 H PHE A 89 -1.194 4.591 -20.520 1.00 0.00 H new ATOM 0 HA PHE A 89 0.691 2.534 -20.908 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.787 3.631 -18.870 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.825 2.258 -19.200 1.00 0.00 H new ATOM 0 HD1 PHE A 89 1.749 3.051 -18.243 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.501 0.329 -18.078 1.00 0.00 H new ATOM 0 HE1 PHE A 89 2.961 1.719 -16.555 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.303 -1.015 -16.379 1.00 0.00 H new ATOM 0 HZ PHE A 89 1.964 -0.365 -15.654 1.00 0.00 H new ATOM 1416 N LEU A 90 -2.263 1.422 -21.839 1.00 0.00 N ATOM 1417 CA LEU A 90 -2.924 0.353 -22.652 1.00 0.00 C ATOM 1418 C LEU A 90 -2.490 0.381 -24.158 1.00 0.00 C ATOM 1419 O LEU A 90 -2.076 -0.662 -24.669 1.00 0.00 O ATOM 1420 CB LEU A 90 -4.491 0.387 -22.525 1.00 0.00 C ATOM 1421 CG LEU A 90 -5.206 -0.535 -21.482 1.00 0.00 C ATOM 1422 CD1 LEU A 90 -6.733 -0.303 -21.559 1.00 0.00 C ATOM 1423 CD2 LEU A 90 -4.909 -2.037 -21.667 1.00 0.00 C ATOM 0 H LEU A 90 -2.910 2.128 -21.489 1.00 0.00 H new ATOM 0 HA LEU A 90 -2.576 -0.590 -22.230 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -4.777 1.415 -22.301 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -4.902 0.148 -23.506 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.811 -0.260 -20.504 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.235 -0.943 -20.834 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -6.954 0.741 -21.336 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -7.087 -0.543 -22.562 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.440 -2.609 -20.907 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -5.239 -2.354 -22.656 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.837 -2.211 -21.569 1.00 0.00 H new ATOM 1435 N THR A 91 -2.558 1.538 -24.857 1.00 0.00 N ATOM 1436 CA THR A 91 -2.132 1.647 -26.288 1.00 0.00 C ATOM 1437 C THR A 91 -0.607 1.385 -26.520 1.00 0.00 C ATOM 1438 O THR A 91 -0.269 0.659 -27.456 1.00 0.00 O ATOM 1439 CB THR A 91 -2.543 3.013 -26.890 1.00 0.00 C ATOM 1440 OG1 THR A 91 -1.921 4.067 -26.162 1.00 0.00 O ATOM 1441 CG2 THR A 91 -4.076 3.258 -26.901 1.00 0.00 C ATOM 0 H THR A 91 -2.902 2.413 -24.461 1.00 0.00 H new ATOM 0 HA THR A 91 -2.660 0.848 -26.809 1.00 0.00 H new ATOM 0 HB THR A 91 -2.211 2.995 -27.928 1.00 0.00 H new ATOM 0 HG1 THR A 91 -2.439 4.255 -25.351 1.00 0.00 H new ATOM 0 HG21 THR A 91 -4.285 4.235 -27.337 1.00 0.00 H new ATOM 0 HG22 THR A 91 -4.564 2.484 -27.493 1.00 0.00 H new ATOM 0 HG23 THR A 91 -4.457 3.227 -25.880 1.00 0.00 H new ATOM 1449 N VAL A 92 0.304 1.963 -25.707 1.00 0.00 N ATOM 1450 CA VAL A 92 1.775 1.727 -25.853 1.00 0.00 C ATOM 1451 C VAL A 92 2.215 0.255 -25.535 1.00 0.00 C ATOM 1452 O VAL A 92 2.914 -0.334 -26.365 1.00 0.00 O ATOM 1453 CB VAL A 92 2.579 2.843 -25.106 1.00 0.00 C ATOM 1454 CG1 VAL A 92 2.886 2.612 -23.608 1.00 0.00 C ATOM 1455 CG2 VAL A 92 3.888 3.180 -25.848 1.00 0.00 C ATOM 0 H VAL A 92 0.058 2.594 -24.944 1.00 0.00 H new ATOM 0 HA VAL A 92 2.031 1.819 -26.909 1.00 0.00 H new ATOM 0 HB VAL A 92 1.883 3.682 -25.119 1.00 0.00 H new ATOM 0 HG11 VAL A 92 3.447 3.461 -23.216 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.951 2.509 -23.057 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.477 1.703 -23.494 1.00 0.00 H new ATOM 0 HG21 VAL A 92 4.424 3.958 -25.305 1.00 0.00 H new ATOM 0 HG22 VAL A 92 4.510 2.287 -25.912 1.00 0.00 H new ATOM 0 HG23 VAL A 92 3.656 3.533 -26.853 1.00 0.00 H new ATOM 1465 N MET A 93 1.786 -0.367 -24.412 1.00 0.00 N ATOM 1466 CA MET A 93 2.040 -1.825 -24.165 1.00 0.00 C ATOM 1467 C MET A 93 1.420 -2.792 -25.241 1.00 0.00 C ATOM 1468 O MET A 93 2.124 -3.708 -25.673 1.00 0.00 O ATOM 1469 CB MET A 93 1.596 -2.231 -22.728 1.00 0.00 C ATOM 1470 CG MET A 93 2.577 -1.813 -21.601 1.00 0.00 C ATOM 1471 SD MET A 93 2.685 -0.021 -21.360 1.00 0.00 S ATOM 1472 CE MET A 93 3.756 0.033 -19.919 1.00 0.00 C ATOM 0 H MET A 93 1.269 0.100 -23.667 1.00 0.00 H new ATOM 0 HA MET A 93 3.119 -1.948 -24.259 1.00 0.00 H new ATOM 0 HB2 MET A 93 0.621 -1.787 -22.525 1.00 0.00 H new ATOM 0 HB3 MET A 93 1.467 -3.313 -22.695 1.00 0.00 H new ATOM 0 HG2 MET A 93 2.263 -2.278 -20.667 1.00 0.00 H new ATOM 0 HG3 MET A 93 3.569 -2.200 -21.832 1.00 0.00 H new ATOM 0 HE1 MET A 93 3.928 1.070 -19.632 1.00 0.00 H new ATOM 0 HE2 MET A 93 3.282 -0.498 -19.093 1.00 0.00 H new ATOM 0 HE3 MET A 93 4.709 -0.441 -20.156 1.00 0.00 H new ATOM 1482 N THR A 94 0.163 -2.600 -25.703 1.00 0.00 N ATOM 1483 CA THR A 94 -0.407 -3.379 -26.850 1.00 0.00 C ATOM 1484 C THR A 94 0.371 -3.181 -28.197 1.00 0.00 C ATOM 1485 O THR A 94 0.857 -4.174 -28.739 1.00 0.00 O ATOM 1486 CB THR A 94 -1.921 -3.083 -26.984 1.00 0.00 C ATOM 1487 OG1 THR A 94 -2.523 -3.116 -25.700 1.00 0.00 O ATOM 1488 CG2 THR A 94 -2.683 -4.092 -27.862 1.00 0.00 C ATOM 0 H THR A 94 -0.482 -1.916 -25.307 1.00 0.00 H new ATOM 0 HA THR A 94 -0.279 -4.437 -26.622 1.00 0.00 H new ATOM 0 HB THR A 94 -1.987 -2.104 -27.458 1.00 0.00 H new ATOM 0 HG1 THR A 94 -2.483 -2.224 -25.297 1.00 0.00 H new ATOM 0 HG21 THR A 94 -3.736 -3.814 -27.905 1.00 0.00 H new ATOM 0 HG22 THR A 94 -2.265 -4.087 -28.869 1.00 0.00 H new ATOM 0 HG23 THR A 94 -2.588 -5.090 -27.435 1.00 0.00 H new ATOM 1496 N GLN A 95 0.515 -1.938 -28.715 1.00 0.00 N ATOM 1497 CA GLN A 95 1.281 -1.651 -29.965 1.00 0.00 C ATOM 1498 C GLN A 95 2.791 -2.077 -29.987 1.00 0.00 C ATOM 1499 O GLN A 95 3.279 -2.478 -31.048 1.00 0.00 O ATOM 1500 CB GLN A 95 1.106 -0.124 -30.244 1.00 0.00 C ATOM 1501 CG GLN A 95 1.559 0.364 -31.635 1.00 0.00 C ATOM 1502 CD GLN A 95 1.377 1.879 -31.823 1.00 0.00 C ATOM 1503 OE1 GLN A 95 1.029 2.646 -30.921 1.00 0.00 O ATOM 1504 NE2 GLN A 95 1.639 2.354 -33.063 1.00 0.00 N ATOM 0 H GLN A 95 0.109 -1.107 -28.286 1.00 0.00 H new ATOM 0 HA GLN A 95 0.868 -2.280 -30.753 1.00 0.00 H new ATOM 0 HB2 GLN A 95 0.054 0.130 -30.116 1.00 0.00 H new ATOM 0 HB3 GLN A 95 1.662 0.430 -29.487 1.00 0.00 H new ATOM 0 HG2 GLN A 95 2.608 0.108 -31.781 1.00 0.00 H new ATOM 0 HG3 GLN A 95 0.992 -0.163 -32.402 1.00 0.00 H new ATOM 0 HE21 GLN A 95 1.926 1.715 -33.804 1.00 0.00 H new ATOM 0 HE22 GLN A 95 1.549 3.351 -33.257 1.00 0.00 H new ATOM 1513 N LYS A 96 3.534 -1.983 -28.867 1.00 0.00 N ATOM 1514 CA LYS A 96 4.932 -2.497 -28.785 1.00 0.00 C ATOM 1515 C LYS A 96 5.045 -4.057 -28.636 1.00 0.00 C ATOM 1516 O LYS A 96 5.795 -4.651 -29.417 1.00 0.00 O ATOM 1517 CB LYS A 96 5.715 -1.732 -27.675 1.00 0.00 C ATOM 1518 CG LYS A 96 5.855 -0.186 -27.852 1.00 0.00 C ATOM 1519 CD LYS A 96 6.475 0.319 -29.179 1.00 0.00 C ATOM 1520 CE LYS A 96 7.937 -0.093 -29.441 1.00 0.00 C ATOM 1521 NZ LYS A 96 8.870 0.697 -28.589 1.00 0.00 N ATOM 0 H LYS A 96 3.198 -1.558 -28.003 1.00 0.00 H new ATOM 0 HA LYS A 96 5.398 -2.295 -29.750 1.00 0.00 H new ATOM 0 HB2 LYS A 96 5.224 -1.922 -26.720 1.00 0.00 H new ATOM 0 HB3 LYS A 96 6.716 -2.159 -27.609 1.00 0.00 H new ATOM 0 HG2 LYS A 96 4.864 0.257 -27.751 1.00 0.00 H new ATOM 0 HG3 LYS A 96 6.460 0.195 -27.029 1.00 0.00 H new ATOM 0 HD2 LYS A 96 5.863 -0.044 -30.004 1.00 0.00 H new ATOM 0 HD3 LYS A 96 6.417 1.407 -29.193 1.00 0.00 H new ATOM 0 HE2 LYS A 96 8.062 -1.156 -29.236 1.00 0.00 H new ATOM 0 HE3 LYS A 96 8.180 0.060 -30.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 9.729 0.140 -28.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 9.126 1.578 -29.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 8.407 0.926 -27.686 1.00 0.00 H new ATOM 1535 N MET A 97 4.352 -4.727 -27.686 1.00 0.00 N ATOM 1536 CA MET A 97 4.444 -6.214 -27.532 1.00 0.00 C ATOM 1537 C MET A 97 3.579 -7.060 -28.534 1.00 0.00 C ATOM 1538 O MET A 97 4.147 -7.934 -29.195 1.00 0.00 O ATOM 1539 CB MET A 97 4.094 -6.612 -26.065 1.00 0.00 C ATOM 1540 CG MET A 97 5.241 -6.425 -25.048 1.00 0.00 C ATOM 1541 SD MET A 97 6.627 -7.538 -25.435 1.00 0.00 S ATOM 1542 CE MET A 97 7.763 -7.088 -24.103 1.00 0.00 C ATOM 0 H MET A 97 3.728 -4.276 -27.017 1.00 0.00 H new ATOM 0 HA MET A 97 5.477 -6.460 -27.779 1.00 0.00 H new ATOM 0 HB2 MET A 97 3.238 -6.021 -25.738 1.00 0.00 H new ATOM 0 HB3 MET A 97 3.783 -7.657 -26.052 1.00 0.00 H new ATOM 0 HG2 MET A 97 5.583 -5.390 -25.064 1.00 0.00 H new ATOM 0 HG3 MET A 97 4.877 -6.625 -24.040 1.00 0.00 H new ATOM 0 HE1 MET A 97 8.675 -7.679 -24.187 1.00 0.00 H new ATOM 0 HE2 MET A 97 8.009 -6.029 -24.177 1.00 0.00 H new ATOM 0 HE3 MET A 97 7.291 -7.284 -23.140 1.00 0.00 H new ATOM 1552 N SER A 98 2.239 -6.910 -28.556 1.00 0.00 N ATOM 1553 CA SER A 98 1.332 -7.796 -29.342 1.00 0.00 C ATOM 1554 C SER A 98 1.234 -7.448 -30.856 1.00 0.00 C ATOM 1555 O SER A 98 2.057 -7.863 -30.357 1.00 0.00 O ATOM 1556 CB SER A 98 -0.079 -7.789 -28.704 1.00 0.00 C ATOM 1557 OG SER A 98 -0.065 -8.326 -27.375 1.00 0.00 O ATOM 1558 OXT SER A 98 2.693 -7.919 -31.245 1.00 0.00 O ATOM 0 H SER A 98 1.751 -6.180 -28.037 1.00 0.00 H new ATOM 0 HA SER A 98 1.775 -8.791 -29.301 1.00 0.00 H new ATOM 0 HB2 SER A 98 -0.462 -6.769 -28.680 1.00 0.00 H new ATOM 0 HB3 SER A 98 -0.761 -8.371 -29.324 1.00 0.00 H new ATOM 0 HG SER A 98 -0.972 -8.304 -27.004 1.00 0.00 H new