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 57 MET CE :methyl -139:sc=-0.00875 (180deg=-0.464) USER MOD Set 1.2: A 93 MET CE :methyl 170:sc=-0.00355 (180deg=-0.212) USER MOD Set 2.1: A 26 THR OG1 : rot 74:sc= 1.31 USER MOD Set 2.2: A 29 GLN : amide:sc= 0.0705 K(o=1.5,f=-0.12!) USER MOD Set 2.3: A 98 SER OG : rot 180:sc= 0.0678 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0.322 K(o=0.32,f=-0.42) USER MOD Single : A 45 THR OG1 : rot 80:sc= 1.05 USER MOD Single : A 47 THR OG1 : rot 101:sc= 0.878 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 167:sc= -2.32 (180deg=-2.8!) USER MOD Single : A 65 LYS NZ :NH3+ 165:sc= 1.1 (180deg=0.646) 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+ -141:sc= 1.23 (180deg=0.138) USER MOD Single : A 72 MET CE :methyl -162:sc=-0.00126 (180deg=-0.536) USER MOD Single : A 74 SER OG : rot 84:sc= 0.0963 USER MOD Single : A 78 LYS NZ :NH3+ -164:sc= 1.26 (180deg=0.246) USER MOD Single : A 81 THR OG1 : rot -14:sc= 1.09 USER MOD Single : A 83 LYS NZ :NH3+ -177:sc= 1.23 (180deg=1.22) USER MOD Single : A 84 MET CE :methyl 162:sc= -1.15 (180deg=-2.03!) USER MOD Single : A 85 ASN : amide:sc= 0.836 K(o=0.84,f=-1.9!) USER MOD Single : A 91 THR OG1 : rot -74:sc= 0.74 USER MOD Single : A 94 THR OG1 : rot 86:sc= 1.18 USER MOD Single : A 95 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 96 LYS NZ :NH3+ 176:sc= 0.662 (180deg=0.568) USER MOD Single : A 97 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 383 N LEU A 25 -3.901 -7.268 -26.244 1.00 0.00 N ATOM 384 CA LEU A 25 -3.516 -7.684 -24.853 1.00 0.00 C ATOM 385 C LEU A 25 -4.588 -8.767 -24.496 1.00 0.00 C ATOM 386 O LEU A 25 -5.771 -8.454 -24.313 1.00 0.00 O ATOM 387 CB LEU A 25 -3.587 -6.556 -23.795 1.00 0.00 C ATOM 388 CG LEU A 25 -2.613 -5.380 -24.042 1.00 0.00 C ATOM 389 CD1 LEU A 25 -2.906 -4.204 -23.088 1.00 0.00 C ATOM 390 CD2 LEU A 25 -1.126 -5.782 -23.965 1.00 0.00 C ATOM 0 HA LEU A 25 -2.477 -8.014 -24.838 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.605 -6.167 -23.765 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.380 -6.983 -22.814 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.792 -5.060 -25.068 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.206 -3.392 -23.285 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.925 -3.851 -23.248 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.795 -4.536 -22.056 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.503 -4.907 -24.148 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.908 -6.182 -22.975 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.915 -6.542 -24.717 1.00 0.00 H new ATOM 402 N THR A 26 -4.162 -10.043 -24.439 1.00 0.00 N ATOM 403 CA THR A 26 -5.109 -11.207 -24.403 1.00 0.00 C ATOM 404 C THR A 26 -5.830 -11.445 -23.044 1.00 0.00 C ATOM 405 O THR A 26 -6.958 -10.976 -22.868 1.00 0.00 O ATOM 406 CB THR A 26 -4.464 -12.481 -24.947 1.00 0.00 C ATOM 407 OG1 THR A 26 -3.042 -12.425 -24.876 1.00 0.00 O ATOM 408 CG2 THR A 26 -4.848 -12.592 -26.436 1.00 0.00 C ATOM 0 H THR A 26 -3.177 -10.308 -24.416 1.00 0.00 H new ATOM 0 HA THR A 26 -5.915 -10.918 -25.077 1.00 0.00 H new ATOM 0 HB THR A 26 -4.810 -13.328 -24.355 1.00 0.00 H new ATOM 0 HG1 THR A 26 -2.756 -12.535 -23.945 1.00 0.00 H new ATOM 0 HG21 THR A 26 -4.404 -13.493 -26.860 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.933 -12.644 -26.529 1.00 0.00 H new ATOM 0 HG23 THR A 26 -4.479 -11.718 -26.973 1.00 0.00 H new ATOM 416 N GLU A 27 -5.244 -12.210 -22.126 1.00 0.00 N ATOM 417 CA GLU A 27 -5.861 -12.539 -20.802 1.00 0.00 C ATOM 418 C GLU A 27 -4.804 -12.272 -19.694 1.00 0.00 C ATOM 419 O GLU A 27 -5.005 -11.419 -18.828 1.00 0.00 O ATOM 420 CB GLU A 27 -6.321 -14.012 -20.713 1.00 0.00 C ATOM 421 CG GLU A 27 -7.440 -14.338 -21.721 1.00 0.00 C ATOM 422 CD GLU A 27 -7.904 -15.779 -21.535 1.00 0.00 C ATOM 423 OE1 GLU A 27 -8.379 -16.104 -20.414 1.00 0.00 O ATOM 424 OE2 GLU A 27 -7.796 -16.569 -22.510 1.00 0.00 O ATOM 0 H GLU A 27 -4.324 -12.630 -22.260 1.00 0.00 H new ATOM 0 HA GLU A 27 -6.745 -11.914 -20.675 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -5.469 -14.668 -20.895 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.674 -14.220 -19.703 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -8.278 -13.656 -21.580 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -7.078 -14.192 -22.739 1.00 0.00 H new ATOM 431 N GLU A 28 -3.670 -12.986 -19.774 1.00 0.00 N ATOM 432 CA GLU A 28 -2.436 -12.745 -18.987 1.00 0.00 C ATOM 433 C GLU A 28 -1.861 -11.287 -19.098 1.00 0.00 C ATOM 434 O GLU A 28 -1.649 -10.628 -18.071 1.00 0.00 O ATOM 435 CB GLU A 28 -1.328 -13.788 -19.340 1.00 0.00 C ATOM 436 CG GLU A 28 -0.738 -13.771 -20.774 1.00 0.00 C ATOM 437 CD GLU A 28 -1.840 -13.821 -21.830 1.00 0.00 C ATOM 438 OE1 GLU A 28 -2.495 -14.885 -21.964 1.00 0.00 O ATOM 439 OE2 GLU A 28 -2.122 -12.752 -22.438 1.00 0.00 O ATOM 0 H GLU A 28 -3.577 -13.778 -20.410 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.742 -12.868 -17.948 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -0.505 -13.650 -18.639 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.737 -14.782 -19.159 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.140 -12.870 -20.912 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -0.069 -14.621 -20.904 1.00 0.00 H new ATOM 446 N GLN A 29 -1.692 -10.766 -20.333 1.00 0.00 N ATOM 447 CA GLN A 29 -1.297 -9.351 -20.572 1.00 0.00 C ATOM 448 C GLN A 29 -2.390 -8.308 -20.150 1.00 0.00 C ATOM 449 O GLN A 29 -2.079 -7.314 -19.494 1.00 0.00 O ATOM 450 CB GLN A 29 -1.028 -9.096 -22.069 1.00 0.00 C ATOM 451 CG GLN A 29 0.077 -9.970 -22.678 1.00 0.00 C ATOM 452 CD GLN A 29 0.118 -9.662 -24.177 1.00 0.00 C ATOM 453 OE1 GLN A 29 -0.833 -9.996 -24.893 1.00 0.00 O ATOM 454 NE2 GLN A 29 1.206 -8.986 -24.645 1.00 0.00 N ATOM 0 H GLN A 29 -1.823 -11.305 -21.189 1.00 0.00 H new ATOM 0 HA GLN A 29 -0.406 -9.215 -19.960 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -1.951 -9.262 -22.624 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -0.759 -8.048 -22.203 1.00 0.00 H new ATOM 0 HG2 GLN A 29 1.039 -9.754 -22.214 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.129 -11.027 -22.507 1.00 0.00 H new ATOM 0 HE21 GLN A 29 1.963 -8.735 -24.009 1.00 0.00 H new ATOM 0 HE22 GLN A 29 1.263 -8.731 -25.631 1.00 0.00 H new ATOM 463 N LYS A 30 -3.660 -8.562 -20.522 1.00 0.00 N ATOM 464 CA LYS A 30 -4.845 -7.760 -20.102 1.00 0.00 C ATOM 465 C LYS A 30 -5.020 -7.595 -18.561 1.00 0.00 C ATOM 466 O LYS A 30 -5.088 -6.455 -18.092 1.00 0.00 O ATOM 467 CB LYS A 30 -6.108 -8.425 -20.686 1.00 0.00 C ATOM 468 CG LYS A 30 -7.379 -7.566 -20.692 1.00 0.00 C ATOM 469 CD LYS A 30 -8.491 -8.260 -21.494 1.00 0.00 C ATOM 470 CE LYS A 30 -9.770 -7.429 -21.638 1.00 0.00 C ATOM 471 NZ LYS A 30 -10.761 -8.145 -22.476 1.00 0.00 N ATOM 0 H LYS A 30 -3.904 -9.341 -21.133 1.00 0.00 H new ATOM 0 HA LYS A 30 -4.686 -6.752 -20.485 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -5.894 -8.729 -21.711 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -6.311 -9.334 -20.120 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.713 -7.393 -19.669 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.164 -6.590 -21.126 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -8.112 -8.499 -22.488 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -8.737 -9.205 -21.010 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -10.194 -7.229 -20.654 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -9.535 -6.464 -22.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -11.622 -7.569 -22.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -10.360 -8.314 -23.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -10.998 -9.055 -22.032 1.00 0.00 H new ATOM 485 N GLN A 31 -5.038 -8.691 -17.773 1.00 0.00 N ATOM 486 CA GLN A 31 -4.972 -8.607 -16.283 1.00 0.00 C ATOM 487 C GLN A 31 -3.654 -7.966 -15.719 1.00 0.00 C ATOM 488 O GLN A 31 -3.756 -7.233 -14.738 1.00 0.00 O ATOM 489 CB GLN A 31 -5.275 -9.945 -15.555 1.00 0.00 C ATOM 490 CG GLN A 31 -4.249 -11.091 -15.713 1.00 0.00 C ATOM 491 CD GLN A 31 -3.133 -11.022 -14.660 1.00 0.00 C ATOM 492 OE1 GLN A 31 -3.408 -10.927 -13.460 1.00 0.00 O ATOM 493 NE2 GLN A 31 -1.850 -11.092 -15.126 1.00 0.00 N ATOM 0 H GLN A 31 -5.097 -9.643 -18.133 1.00 0.00 H new ATOM 0 HA GLN A 31 -5.784 -7.917 -16.054 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -5.381 -9.733 -14.491 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -6.241 -10.308 -15.906 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -4.762 -12.049 -15.633 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -3.809 -11.047 -16.709 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -1.675 -11.170 -16.128 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -1.068 -11.066 -14.472 1.00 0.00 H new ATOM 502 N GLU A 32 -2.457 -8.161 -16.328 1.00 0.00 N ATOM 503 CA GLU A 32 -1.206 -7.459 -15.854 1.00 0.00 C ATOM 504 C GLU A 32 -1.285 -5.897 -16.003 1.00 0.00 C ATOM 505 O GLU A 32 -0.993 -5.207 -15.025 1.00 0.00 O ATOM 506 CB GLU A 32 0.057 -7.973 -16.568 1.00 0.00 C ATOM 507 CG GLU A 32 1.356 -7.478 -15.914 1.00 0.00 C ATOM 508 CD GLU A 32 2.532 -8.192 -16.562 1.00 0.00 C ATOM 509 OE1 GLU A 32 2.671 -8.079 -17.809 1.00 0.00 O ATOM 510 OE2 GLU A 32 3.295 -8.864 -15.820 1.00 0.00 O ATOM 0 H GLU A 32 -2.318 -8.778 -17.128 1.00 0.00 H new ATOM 0 HA GLU A 32 -1.136 -7.697 -14.793 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.049 -9.063 -16.570 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.035 -7.653 -17.610 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.454 -6.400 -16.038 1.00 0.00 H new ATOM 0 HG3 GLU A 32 1.338 -7.675 -14.842 1.00 0.00 H new ATOM 517 N ILE A 33 -1.701 -5.319 -17.152 1.00 0.00 N ATOM 518 CA ILE A 33 -1.945 -3.842 -17.259 1.00 0.00 C ATOM 519 C ILE A 33 -3.137 -3.358 -16.341 1.00 0.00 C ATOM 520 O ILE A 33 -2.971 -2.332 -15.670 1.00 0.00 O ATOM 521 CB ILE A 33 -2.192 -3.477 -18.735 1.00 0.00 C ATOM 522 CG1 ILE A 33 -0.868 -3.382 -19.545 1.00 0.00 C ATOM 523 CG2 ILE A 33 -2.967 -2.151 -18.896 1.00 0.00 C ATOM 524 CD1 ILE A 33 -0.234 -4.713 -19.964 1.00 0.00 C ATOM 0 H ILE A 33 -1.876 -5.835 -18.014 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.058 -3.322 -16.898 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.799 -4.290 -19.132 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.058 -2.795 -20.444 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.141 -2.829 -18.950 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.114 -1.942 -19.956 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.937 -2.234 -18.405 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.399 -1.340 -18.441 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.682 -4.520 -20.522 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.001 -5.301 -19.076 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.932 -5.266 -20.593 1.00 0.00 H new ATOM 536 N ARG A 34 -4.297 -4.076 -16.274 1.00 0.00 N ATOM 537 CA ARG A 34 -5.380 -3.816 -15.280 1.00 0.00 C ATOM 538 C ARG A 34 -4.875 -3.735 -13.798 1.00 0.00 C ATOM 539 O ARG A 34 -5.066 -2.702 -13.149 1.00 0.00 O ATOM 540 CB ARG A 34 -6.476 -4.921 -15.329 1.00 0.00 C ATOM 541 CG ARG A 34 -7.941 -4.462 -15.159 1.00 0.00 C ATOM 542 CD ARG A 34 -8.294 -3.601 -13.933 1.00 0.00 C ATOM 543 NE ARG A 34 -8.026 -4.315 -12.634 1.00 0.00 N ATOM 544 CZ ARG A 34 -8.193 -3.673 -11.436 1.00 0.00 C ATOM 545 NH1 ARG A 34 -8.837 -2.468 -11.381 1.00 0.00 N ATOM 546 NH2 ARG A 34 -7.676 -4.209 -10.293 1.00 0.00 N ATOM 0 H ARG A 34 -4.506 -4.849 -16.906 1.00 0.00 H new ATOM 0 HA ARG A 34 -5.781 -2.845 -15.569 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -6.392 -5.440 -16.284 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -6.257 -5.651 -14.550 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -8.220 -3.902 -16.051 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -8.568 -5.353 -15.132 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -7.716 -2.677 -13.963 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -9.346 -3.321 -13.980 1.00 0.00 H new ATOM 0 HE ARG A 34 -7.717 -5.287 -12.647 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -9.196 -2.042 -12.235 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -8.958 -1.995 -10.486 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -7.163 -5.090 -10.329 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -7.802 -3.729 -9.402 1.00 0.00 H new ATOM 560 N GLU A 35 -4.177 -4.780 -13.304 1.00 0.00 N ATOM 561 CA GLU A 35 -3.643 -4.819 -11.922 1.00 0.00 C ATOM 562 C GLU A 35 -2.443 -3.845 -11.690 1.00 0.00 C ATOM 563 O GLU A 35 -2.446 -3.183 -10.658 1.00 0.00 O ATOM 564 CB GLU A 35 -3.283 -6.233 -11.401 1.00 0.00 C ATOM 565 CG GLU A 35 -4.398 -7.300 -11.542 1.00 0.00 C ATOM 566 CD GLU A 35 -5.780 -6.738 -11.224 1.00 0.00 C ATOM 567 OE1 GLU A 35 -6.020 -6.358 -10.048 1.00 0.00 O ATOM 568 OE2 GLU A 35 -6.621 -6.643 -12.162 1.00 0.00 O ATOM 0 H GLU A 35 -3.968 -5.617 -13.847 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.489 -4.471 -11.330 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.399 -6.584 -11.934 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.010 -6.155 -10.349 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.394 -7.695 -12.558 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.185 -8.135 -10.875 1.00 0.00 H new ATOM 575 N ALA A 36 -1.447 -3.702 -12.598 1.00 0.00 N ATOM 576 CA ALA A 36 -0.348 -2.703 -12.438 1.00 0.00 C ATOM 577 C ALA A 36 -0.808 -1.217 -12.276 1.00 0.00 C ATOM 578 O ALA A 36 -0.492 -0.580 -11.258 1.00 0.00 O ATOM 579 CB ALA A 36 0.639 -2.744 -13.622 1.00 0.00 C ATOM 0 H ALA A 36 -1.377 -4.261 -13.448 1.00 0.00 H new ATOM 0 HA ALA A 36 0.123 -3.011 -11.505 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.423 -2.003 -13.468 1.00 0.00 H new ATOM 0 HB2 ALA A 36 1.085 -3.736 -13.689 1.00 0.00 H new ATOM 0 HB3 ALA A 36 0.107 -2.522 -14.547 1.00 0.00 H new ATOM 585 N PHE A 37 -1.601 -0.682 -13.231 1.00 0.00 N ATOM 586 CA PHE A 37 -2.175 0.683 -13.089 1.00 0.00 C ATOM 587 C PHE A 37 -3.126 0.844 -11.853 1.00 0.00 C ATOM 588 O PHE A 37 -2.948 1.823 -11.134 1.00 0.00 O ATOM 589 CB PHE A 37 -2.995 1.045 -14.354 1.00 0.00 C ATOM 590 CG PHE A 37 -3.076 2.535 -14.554 1.00 0.00 C ATOM 591 CD1 PHE A 37 -4.034 3.318 -13.883 1.00 0.00 C ATOM 592 CD2 PHE A 37 -2.175 3.166 -15.429 1.00 0.00 C ATOM 593 CE1 PHE A 37 -4.066 4.708 -14.060 1.00 0.00 C ATOM 594 CE2 PHE A 37 -2.235 4.545 -15.639 1.00 0.00 C ATOM 595 CZ PHE A 37 -3.162 5.318 -14.935 1.00 0.00 C ATOM 0 H PHE A 37 -1.857 -1.161 -14.095 1.00 0.00 H new ATOM 0 HA PHE A 37 -1.321 1.345 -12.949 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -2.537 0.584 -15.229 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -4.001 0.634 -14.266 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -4.749 2.844 -13.227 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.429 2.579 -15.944 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -4.787 5.306 -13.522 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -1.566 5.014 -16.345 1.00 0.00 H new ATOM 0 HZ PHE A 37 -3.180 6.390 -15.067 1.00 0.00 H new ATOM 605 N ASP A 38 -4.037 -0.102 -11.544 1.00 0.00 N ATOM 606 CA ASP A 38 -4.809 -0.104 -10.259 1.00 0.00 C ATOM 607 C ASP A 38 -3.982 -0.283 -8.927 1.00 0.00 C ATOM 608 O ASP A 38 -4.322 0.340 -7.919 1.00 0.00 O ATOM 609 CB ASP A 38 -5.782 -1.306 -10.323 1.00 0.00 C ATOM 610 CG ASP A 38 -6.914 -1.284 -9.293 1.00 0.00 C ATOM 611 OD1 ASP A 38 -7.853 -0.464 -9.466 1.00 0.00 O ATOM 612 OD2 ASP A 38 -6.930 -2.192 -8.420 1.00 0.00 O ATOM 0 H ASP A 38 -4.265 -0.881 -12.161 1.00 0.00 H new ATOM 0 HA ASP A 38 -5.265 0.884 -10.198 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -6.220 -1.345 -11.320 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.209 -2.224 -10.190 1.00 0.00 H new ATOM 617 N LEU A 39 -2.900 -1.093 -8.893 1.00 0.00 N ATOM 618 CA LEU A 39 -1.936 -1.163 -7.776 1.00 0.00 C ATOM 619 C LEU A 39 -1.343 0.226 -7.361 1.00 0.00 C ATOM 620 O LEU A 39 -1.353 0.569 -6.176 1.00 0.00 O ATOM 621 CB LEU A 39 -0.746 -2.127 -8.024 1.00 0.00 C ATOM 622 CG LEU A 39 -1.094 -3.623 -7.827 1.00 0.00 C ATOM 623 CD1 LEU A 39 -0.028 -4.528 -8.478 1.00 0.00 C ATOM 624 CD2 LEU A 39 -1.299 -3.991 -6.343 1.00 0.00 C ATOM 0 H LEU A 39 -2.670 -1.728 -9.657 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.550 -1.553 -6.965 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.379 -1.981 -9.040 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.069 -1.863 -7.350 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.046 -3.794 -8.329 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.296 -5.573 -8.325 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.024 -4.319 -9.547 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.943 -4.332 -8.023 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.541 -5.051 -6.261 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.385 -3.783 -5.787 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.117 -3.399 -5.931 1.00 0.00 H new ATOM 636 N PHE A 40 -0.836 1.008 -8.334 1.00 0.00 N ATOM 637 CA PHE A 40 -0.348 2.393 -8.088 1.00 0.00 C ATOM 638 C PHE A 40 -1.498 3.466 -8.023 1.00 0.00 C ATOM 639 O PHE A 40 -1.473 4.321 -7.135 1.00 0.00 O ATOM 640 CB PHE A 40 0.776 2.771 -9.060 1.00 0.00 C ATOM 641 CG PHE A 40 1.886 1.754 -8.883 1.00 0.00 C ATOM 642 CD1 PHE A 40 2.641 1.726 -7.694 1.00 0.00 C ATOM 643 CD2 PHE A 40 2.117 0.758 -9.846 1.00 0.00 C ATOM 644 CE1 PHE A 40 3.604 0.733 -7.479 1.00 0.00 C ATOM 645 CE2 PHE A 40 3.064 -0.249 -9.626 1.00 0.00 C ATOM 646 CZ PHE A 40 3.813 -0.259 -8.445 1.00 0.00 C ATOM 0 H PHE A 40 -0.751 0.708 -9.305 1.00 0.00 H new ATOM 0 HA PHE A 40 0.082 2.396 -7.086 1.00 0.00 H new ATOM 0 HB2 PHE A 40 0.413 2.768 -10.088 1.00 0.00 H new ATOM 0 HB3 PHE A 40 1.140 3.777 -8.854 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.475 2.480 -6.939 1.00 0.00 H new ATOM 0 HD2 PHE A 40 1.556 0.769 -10.769 1.00 0.00 H new ATOM 0 HE1 PHE A 40 4.185 0.732 -6.569 1.00 0.00 H new ATOM 0 HE2 PHE A 40 3.216 -1.018 -10.368 1.00 0.00 H new ATOM 0 HZ PHE A 40 4.551 -1.030 -8.278 1.00 0.00 H new ATOM 656 N ASP A 41 -2.535 3.413 -8.889 1.00 0.00 N ATOM 657 CA ASP A 41 -3.773 4.241 -8.763 1.00 0.00 C ATOM 658 C ASP A 41 -4.776 3.577 -7.746 1.00 0.00 C ATOM 659 O ASP A 41 -5.795 2.990 -8.123 1.00 0.00 O ATOM 660 CB ASP A 41 -4.436 4.394 -10.164 1.00 0.00 C ATOM 661 CG ASP A 41 -5.415 5.560 -10.255 1.00 0.00 C ATOM 662 OD1 ASP A 41 -6.596 5.403 -9.854 1.00 0.00 O ATOM 663 OD2 ASP A 41 -4.996 6.649 -10.736 1.00 0.00 O ATOM 0 H ASP A 41 -2.544 2.795 -9.700 1.00 0.00 H new ATOM 0 HA ASP A 41 -3.510 5.228 -8.383 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -3.655 4.527 -10.913 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -4.960 3.471 -10.411 1.00 0.00 H new ATOM 668 N ALA A 42 -4.470 3.669 -6.438 1.00 0.00 N ATOM 669 CA ALA A 42 -5.206 2.890 -5.389 1.00 0.00 C ATOM 670 C ALA A 42 -6.654 3.367 -5.045 1.00 0.00 C ATOM 671 O ALA A 42 -7.564 2.538 -4.952 1.00 0.00 O ATOM 672 CB ALA A 42 -4.422 2.877 -4.063 1.00 0.00 C ATOM 0 H ALA A 42 -3.728 4.265 -6.071 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.294 1.906 -5.849 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.976 2.306 -3.318 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.447 2.417 -4.221 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.287 3.899 -3.710 1.00 0.00 H new ATOM 678 N ASP A 43 -6.866 4.676 -4.834 1.00 0.00 N ATOM 679 CA ASP A 43 -8.196 5.249 -4.477 1.00 0.00 C ATOM 680 C ASP A 43 -9.131 5.629 -5.688 1.00 0.00 C ATOM 681 O ASP A 43 -10.311 5.925 -5.469 1.00 0.00 O ATOM 682 CB ASP A 43 -8.047 6.551 -3.649 1.00 0.00 C ATOM 683 CG ASP A 43 -7.320 6.259 -2.338 1.00 0.00 C ATOM 684 OD1 ASP A 43 -7.900 5.529 -1.490 1.00 0.00 O ATOM 685 OD2 ASP A 43 -6.178 6.764 -2.167 1.00 0.00 O ATOM 0 H ASP A 43 -6.127 5.376 -4.903 1.00 0.00 H new ATOM 0 HA ASP A 43 -8.658 4.433 -3.922 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -7.494 7.295 -4.223 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -9.030 6.974 -3.442 1.00 0.00 H new ATOM 690 N GLY A 44 -8.634 5.638 -6.941 1.00 0.00 N ATOM 691 CA GLY A 44 -9.385 6.119 -8.127 1.00 0.00 C ATOM 692 C GLY A 44 -9.031 7.578 -8.474 1.00 0.00 C ATOM 693 O GLY A 44 -9.733 8.503 -8.061 1.00 0.00 O ATOM 0 H GLY A 44 -7.694 5.310 -7.164 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -9.165 5.478 -8.981 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -10.455 6.040 -7.936 1.00 0.00 H new ATOM 697 N THR A 45 -7.933 7.768 -9.220 1.00 0.00 N ATOM 698 CA THR A 45 -7.326 9.111 -9.453 1.00 0.00 C ATOM 699 C THR A 45 -7.281 9.464 -10.975 1.00 0.00 C ATOM 700 O THR A 45 -7.992 10.383 -11.394 1.00 0.00 O ATOM 701 CB THR A 45 -5.963 9.316 -8.789 1.00 0.00 C ATOM 702 OG1 THR A 45 -5.304 8.085 -8.510 1.00 0.00 O ATOM 703 CG2 THR A 45 -6.191 10.043 -7.447 1.00 0.00 C ATOM 0 H THR A 45 -7.434 7.008 -9.682 1.00 0.00 H new ATOM 0 HA THR A 45 -7.993 9.814 -8.954 1.00 0.00 H new ATOM 0 HB THR A 45 -5.338 9.888 -9.474 1.00 0.00 H new ATOM 0 HG1 THR A 45 -4.879 7.749 -9.327 1.00 0.00 H new ATOM 0 HG21 THR A 45 -5.233 10.202 -6.952 1.00 0.00 H new ATOM 0 HG22 THR A 45 -6.668 11.005 -7.631 1.00 0.00 H new ATOM 0 HG23 THR A 45 -6.833 9.436 -6.809 1.00 0.00 H new ATOM 711 N GLY A 46 -6.450 8.792 -11.794 1.00 0.00 N ATOM 712 CA GLY A 46 -6.198 9.226 -13.202 1.00 0.00 C ATOM 713 C GLY A 46 -4.785 8.900 -13.726 1.00 0.00 C ATOM 714 O GLY A 46 -4.658 8.273 -14.782 1.00 0.00 O ATOM 0 H GLY A 46 -5.941 7.952 -11.518 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.932 8.751 -13.853 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -6.359 10.302 -13.272 1.00 0.00 H new ATOM 718 N THR A 47 -3.740 9.397 -13.037 1.00 0.00 N ATOM 719 CA THR A 47 -2.320 9.239 -13.473 1.00 0.00 C ATOM 720 C THR A 47 -1.480 8.399 -12.463 1.00 0.00 C ATOM 721 O THR A 47 -1.565 8.549 -11.241 1.00 0.00 O ATOM 722 CB THR A 47 -1.581 10.544 -13.768 1.00 0.00 C ATOM 723 OG1 THR A 47 -1.512 11.411 -12.637 1.00 0.00 O ATOM 724 CG2 THR A 47 -2.296 11.267 -14.929 1.00 0.00 C ATOM 0 H THR A 47 -3.844 9.918 -12.166 1.00 0.00 H new ATOM 0 HA THR A 47 -2.411 8.706 -14.419 1.00 0.00 H new ATOM 0 HB THR A 47 -0.555 10.290 -14.035 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.626 11.341 -12.225 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.779 12.201 -15.150 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.289 10.630 -15.814 1.00 0.00 H new ATOM 0 HG23 THR A 47 -3.326 11.482 -14.645 1.00 0.00 H new ATOM 732 N ILE A 48 -0.609 7.555 -13.037 1.00 0.00 N ATOM 733 CA ILE A 48 0.459 6.823 -12.296 1.00 0.00 C ATOM 734 C ILE A 48 1.764 7.598 -12.677 1.00 0.00 C ATOM 735 O ILE A 48 2.154 7.699 -13.849 1.00 0.00 O ATOM 736 CB ILE A 48 0.578 5.342 -12.686 1.00 0.00 C ATOM 737 CG1 ILE A 48 1.773 4.658 -11.982 1.00 0.00 C ATOM 738 CG2 ILE A 48 0.656 5.147 -14.216 1.00 0.00 C ATOM 739 CD1 ILE A 48 1.971 3.194 -12.386 1.00 0.00 C ATOM 0 H ILE A 48 -0.617 7.352 -14.037 1.00 0.00 H new ATOM 0 HA ILE A 48 0.249 6.800 -11.227 1.00 0.00 H new ATOM 0 HB ILE A 48 -0.335 4.858 -12.341 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.683 5.214 -12.208 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.626 4.711 -10.903 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.739 4.084 -14.444 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.245 5.548 -14.680 1.00 0.00 H new ATOM 0 HG23 ILE A 48 1.529 5.671 -14.606 1.00 0.00 H new ATOM 0 HD11 ILE A 48 2.827 2.782 -11.852 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.077 2.623 -12.135 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.150 3.134 -13.460 1.00 0.00 H new ATOM 751 N ASP A 49 2.399 8.178 -11.651 1.00 0.00 N ATOM 752 CA ASP A 49 3.511 9.155 -11.836 1.00 0.00 C ATOM 753 C ASP A 49 4.920 8.517 -11.650 1.00 0.00 C ATOM 754 O ASP A 49 5.125 7.473 -11.036 1.00 0.00 O ATOM 755 CB ASP A 49 3.367 10.399 -10.920 1.00 0.00 C ATOM 756 CG ASP A 49 2.325 11.372 -11.489 1.00 0.00 C ATOM 757 OD1 ASP A 49 1.145 10.974 -11.698 1.00 0.00 O ATOM 758 OD2 ASP A 49 2.716 12.544 -11.739 1.00 0.00 O ATOM 0 H ASP A 49 2.170 7.995 -10.674 1.00 0.00 H new ATOM 0 HA ASP A 49 3.429 9.482 -12.873 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.072 10.087 -9.918 1.00 0.00 H new ATOM 0 HB3 ASP A 49 4.329 10.902 -10.827 1.00 0.00 H new ATOM 763 N VAL A 50 5.875 9.241 -12.247 1.00 0.00 N ATOM 764 CA VAL A 50 7.293 8.884 -12.496 1.00 0.00 C ATOM 765 C VAL A 50 8.007 7.853 -11.543 1.00 0.00 C ATOM 766 O VAL A 50 8.538 6.851 -12.033 1.00 0.00 O ATOM 767 CB VAL A 50 8.041 10.223 -12.614 1.00 0.00 C ATOM 768 CG1 VAL A 50 8.042 11.038 -11.299 1.00 0.00 C ATOM 769 CG2 VAL A 50 9.444 10.062 -13.213 1.00 0.00 C ATOM 0 H VAL A 50 5.666 10.174 -12.602 1.00 0.00 H new ATOM 0 HA VAL A 50 7.314 8.286 -13.407 1.00 0.00 H new ATOM 0 HB VAL A 50 7.471 10.819 -13.327 1.00 0.00 H new ATOM 0 HG11 VAL A 50 8.585 11.971 -11.449 1.00 0.00 H new ATOM 0 HG12 VAL A 50 7.015 11.259 -11.007 1.00 0.00 H new ATOM 0 HG13 VAL A 50 8.526 10.459 -10.512 1.00 0.00 H new ATOM 0 HG21 VAL A 50 9.928 11.037 -13.274 1.00 0.00 H new ATOM 0 HG22 VAL A 50 10.037 9.402 -12.580 1.00 0.00 H new ATOM 0 HG23 VAL A 50 9.366 9.633 -14.212 1.00 0.00 H new ATOM 779 N LYS A 51 7.994 8.067 -10.219 1.00 0.00 N ATOM 780 CA LYS A 51 8.446 7.065 -9.200 1.00 0.00 C ATOM 781 C LYS A 51 7.727 5.659 -9.261 1.00 0.00 C ATOM 782 O LYS A 51 8.347 4.617 -9.523 1.00 0.00 O ATOM 783 CB LYS A 51 8.276 7.596 -7.755 1.00 0.00 C ATOM 784 CG LYS A 51 8.783 9.030 -7.527 1.00 0.00 C ATOM 785 CD LYS A 51 8.351 9.577 -6.157 1.00 0.00 C ATOM 786 CE LYS A 51 8.651 11.072 -5.983 1.00 0.00 C ATOM 787 NZ LYS A 51 8.088 11.587 -4.711 1.00 0.00 N ATOM 0 H LYS A 51 7.670 8.942 -9.806 1.00 0.00 H new ATOM 0 HA LYS A 51 9.494 6.918 -9.460 1.00 0.00 H new ATOM 0 HB2 LYS A 51 7.220 7.554 -7.490 1.00 0.00 H new ATOM 0 HB3 LYS A 51 8.803 6.928 -7.074 1.00 0.00 H new ATOM 0 HG2 LYS A 51 9.871 9.047 -7.599 1.00 0.00 H new ATOM 0 HG3 LYS A 51 8.402 9.680 -8.315 1.00 0.00 H new ATOM 0 HD2 LYS A 51 7.282 9.410 -6.027 1.00 0.00 H new ATOM 0 HD3 LYS A 51 8.859 9.017 -5.372 1.00 0.00 H new ATOM 0 HE2 LYS A 51 9.729 11.234 -5.999 1.00 0.00 H new ATOM 0 HE3 LYS A 51 8.233 11.630 -6.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 8.306 12.600 -4.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 7.057 11.453 -4.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 8.506 11.070 -3.912 1.00 0.00 H new ATOM 801 N GLU A 52 6.398 5.692 -9.068 1.00 0.00 N ATOM 802 CA GLU A 52 5.481 4.527 -9.175 1.00 0.00 C ATOM 803 C GLU A 52 5.407 3.918 -10.616 1.00 0.00 C ATOM 804 O GLU A 52 5.429 2.692 -10.740 1.00 0.00 O ATOM 805 CB GLU A 52 4.024 4.924 -8.827 1.00 0.00 C ATOM 806 CG GLU A 52 3.863 5.815 -7.580 1.00 0.00 C ATOM 807 CD GLU A 52 3.881 7.287 -7.992 1.00 0.00 C ATOM 808 OE1 GLU A 52 2.916 7.715 -8.679 1.00 0.00 O ATOM 809 OE2 GLU A 52 4.870 7.989 -7.652 1.00 0.00 O ATOM 0 H GLU A 52 5.909 6.554 -8.825 1.00 0.00 H new ATOM 0 HA GLU A 52 5.895 3.799 -8.478 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.593 5.444 -9.682 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.442 4.014 -8.680 1.00 0.00 H new ATOM 0 HG2 GLU A 52 2.927 5.581 -7.072 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.668 5.616 -6.872 1.00 0.00 H new ATOM 816 N LEU A 53 5.391 4.725 -11.703 1.00 0.00 N ATOM 817 CA LEU A 53 5.558 4.217 -13.091 1.00 0.00 C ATOM 818 C LEU A 53 6.885 3.425 -13.382 1.00 0.00 C ATOM 819 O LEU A 53 6.848 2.414 -14.090 1.00 0.00 O ATOM 820 CB LEU A 53 5.492 5.402 -14.085 1.00 0.00 C ATOM 821 CG LEU A 53 5.489 5.017 -15.582 1.00 0.00 C ATOM 822 CD1 LEU A 53 4.310 4.091 -15.940 1.00 0.00 C ATOM 823 CD2 LEU A 53 5.518 6.279 -16.466 1.00 0.00 C ATOM 0 H LEU A 53 5.264 5.736 -11.648 1.00 0.00 H new ATOM 0 HA LEU A 53 4.743 3.504 -13.216 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.592 5.980 -13.875 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.343 6.058 -13.898 1.00 0.00 H new ATOM 0 HG LEU A 53 6.397 4.447 -15.780 1.00 0.00 H new ATOM 0 HD11 LEU A 53 4.349 3.847 -17.002 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.376 3.174 -15.354 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.370 4.596 -15.718 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.515 5.988 -17.516 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.640 6.890 -16.257 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.419 6.853 -16.251 1.00 0.00 H new ATOM 835 N LYS A 54 8.040 3.854 -12.849 1.00 0.00 N ATOM 836 CA LYS A 54 9.323 3.096 -12.958 1.00 0.00 C ATOM 837 C LYS A 54 9.356 1.734 -12.203 1.00 0.00 C ATOM 838 O LYS A 54 9.749 0.738 -12.814 1.00 0.00 O ATOM 839 CB LYS A 54 10.532 3.959 -12.527 1.00 0.00 C ATOM 840 CG LYS A 54 10.826 5.074 -13.551 1.00 0.00 C ATOM 841 CD LYS A 54 11.790 6.161 -13.043 1.00 0.00 C ATOM 842 CE LYS A 54 12.189 7.199 -14.110 1.00 0.00 C ATOM 843 NZ LYS A 54 11.000 7.790 -14.766 1.00 0.00 N ATOM 0 H LYS A 54 8.124 4.729 -12.331 1.00 0.00 H new ATOM 0 HA LYS A 54 9.394 2.854 -14.018 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.334 4.403 -11.551 1.00 0.00 H new ATOM 0 HB3 LYS A 54 11.412 3.325 -12.416 1.00 0.00 H new ATOM 0 HG2 LYS A 54 11.246 4.624 -14.451 1.00 0.00 H new ATOM 0 HG3 LYS A 54 9.886 5.544 -13.839 1.00 0.00 H new ATOM 0 HD2 LYS A 54 11.326 6.679 -12.204 1.00 0.00 H new ATOM 0 HD3 LYS A 54 12.692 5.682 -12.663 1.00 0.00 H new ATOM 0 HE2 LYS A 54 12.780 7.989 -13.647 1.00 0.00 H new ATOM 0 HE3 LYS A 54 12.822 6.725 -14.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 11.285 8.629 -15.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.573 7.090 -15.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.306 8.067 -14.043 1.00 0.00 H new ATOM 857 N VAL A 55 8.938 1.654 -10.924 1.00 0.00 N ATOM 858 CA VAL A 55 8.723 0.313 -10.251 1.00 0.00 C ATOM 859 C VAL A 55 7.618 -0.576 -10.947 1.00 0.00 C ATOM 860 O VAL A 55 7.762 -1.806 -11.014 1.00 0.00 O ATOM 861 CB VAL A 55 8.486 0.406 -8.750 1.00 0.00 C ATOM 862 CG1 VAL A 55 9.764 0.970 -8.095 1.00 0.00 C ATOM 863 CG2 VAL A 55 7.257 1.274 -8.426 1.00 0.00 C ATOM 0 H VAL A 55 8.742 2.462 -10.334 1.00 0.00 H new ATOM 0 HA VAL A 55 9.676 -0.199 -10.386 1.00 0.00 H new ATOM 0 HB VAL A 55 8.274 -0.585 -8.349 1.00 0.00 H new ATOM 0 HG11 VAL A 55 9.618 1.046 -7.018 1.00 0.00 H new ATOM 0 HG12 VAL A 55 10.603 0.305 -8.301 1.00 0.00 H new ATOM 0 HG13 VAL A 55 9.976 1.958 -8.503 1.00 0.00 H new ATOM 0 HG21 VAL A 55 7.118 1.319 -7.346 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.410 2.281 -8.814 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.371 0.838 -8.888 1.00 0.00 H new ATOM 873 N ALA A 56 6.579 0.052 -11.527 1.00 0.00 N ATOM 874 CA ALA A 56 5.597 -0.641 -12.411 1.00 0.00 C ATOM 875 C ALA A 56 6.222 -1.278 -13.694 1.00 0.00 C ATOM 876 O ALA A 56 5.980 -2.456 -13.972 1.00 0.00 O ATOM 877 CB ALA A 56 4.461 0.285 -12.889 1.00 0.00 C ATOM 0 H ALA A 56 6.389 1.046 -11.404 1.00 0.00 H new ATOM 0 HA ALA A 56 5.212 -1.430 -11.765 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.779 -0.276 -13.528 1.00 0.00 H new ATOM 0 HB2 ALA A 56 3.917 0.669 -12.026 1.00 0.00 H new ATOM 0 HB3 ALA A 56 4.883 1.118 -13.451 1.00 0.00 H new ATOM 883 N MET A 57 7.070 -0.526 -14.424 1.00 0.00 N ATOM 884 CA MET A 57 7.900 -1.077 -15.535 1.00 0.00 C ATOM 885 C MET A 57 9.036 -2.067 -15.085 1.00 0.00 C ATOM 886 O MET A 57 9.477 -2.853 -15.924 1.00 0.00 O ATOM 887 CB MET A 57 8.480 0.005 -16.468 1.00 0.00 C ATOM 888 CG MET A 57 7.374 0.838 -17.149 1.00 0.00 C ATOM 889 SD MET A 57 7.896 1.702 -18.665 1.00 0.00 S ATOM 890 CE MET A 57 6.418 2.749 -18.782 1.00 0.00 C ATOM 0 H MET A 57 7.205 0.473 -14.269 1.00 0.00 H new ATOM 0 HA MET A 57 7.178 -1.665 -16.102 1.00 0.00 H new ATOM 0 HB2 MET A 57 9.130 0.666 -15.895 1.00 0.00 H new ATOM 0 HB3 MET A 57 9.098 -0.468 -17.231 1.00 0.00 H new ATOM 0 HG2 MET A 57 6.540 0.180 -17.391 1.00 0.00 H new ATOM 0 HG3 MET A 57 7.002 1.575 -16.437 1.00 0.00 H new ATOM 0 HE1 MET A 57 6.100 2.815 -19.823 1.00 0.00 H new ATOM 0 HE2 MET A 57 5.616 2.315 -18.184 1.00 0.00 H new ATOM 0 HE3 MET A 57 6.649 3.747 -18.409 1.00 0.00 H new ATOM 900 N ARG A 58 9.509 -2.090 -13.820 1.00 0.00 N ATOM 901 CA ARG A 58 10.389 -3.192 -13.313 1.00 0.00 C ATOM 902 C ARG A 58 9.600 -4.557 -13.261 1.00 0.00 C ATOM 903 O ARG A 58 10.080 -5.532 -13.844 1.00 0.00 O ATOM 904 CB ARG A 58 10.953 -2.954 -11.893 1.00 0.00 C ATOM 905 CG ARG A 58 11.912 -1.759 -11.798 1.00 0.00 C ATOM 906 CD ARG A 58 12.410 -1.530 -10.364 1.00 0.00 C ATOM 907 NE ARG A 58 13.190 -0.248 -10.322 1.00 0.00 N ATOM 908 CZ ARG A 58 13.689 0.280 -9.161 1.00 0.00 C ATOM 909 NH1 ARG A 58 13.518 -0.366 -7.970 1.00 0.00 N ATOM 910 NH2 ARG A 58 14.367 1.466 -9.198 1.00 0.00 N ATOM 0 H ARG A 58 9.304 -1.369 -13.128 1.00 0.00 H new ATOM 0 HA ARG A 58 11.220 -3.220 -14.018 1.00 0.00 H new ATOM 0 HB2 ARG A 58 10.123 -2.797 -11.204 1.00 0.00 H new ATOM 0 HB3 ARG A 58 11.474 -3.853 -11.564 1.00 0.00 H new ATOM 0 HG2 ARG A 58 12.765 -1.927 -12.455 1.00 0.00 H new ATOM 0 HG3 ARG A 58 11.407 -0.861 -12.154 1.00 0.00 H new ATOM 0 HD2 ARG A 58 11.567 -1.482 -9.675 1.00 0.00 H new ATOM 0 HD3 ARG A 58 13.036 -2.363 -10.044 1.00 0.00 H new ATOM 0 HE ARG A 58 13.355 0.251 -11.196 1.00 0.00 H new ATOM 0 HH11 ARG A 58 13.014 -1.252 -7.938 1.00 0.00 H new ATOM 0 HH12 ARG A 58 13.894 0.038 -7.112 1.00 0.00 H new ATOM 0 HH21 ARG A 58 14.498 1.951 -10.086 1.00 0.00 H new ATOM 0 HH22 ARG A 58 14.742 1.866 -8.338 1.00 0.00 H new ATOM 924 N ALA A 59 8.403 -4.638 -12.617 1.00 0.00 N ATOM 925 CA ALA A 59 7.530 -5.848 -12.709 1.00 0.00 C ATOM 926 C ALA A 59 6.939 -6.190 -14.126 1.00 0.00 C ATOM 927 O ALA A 59 7.107 -7.318 -14.592 1.00 0.00 O ATOM 928 CB ALA A 59 6.328 -5.724 -11.754 1.00 0.00 C ATOM 0 H ALA A 59 8.022 -3.892 -12.035 1.00 0.00 H new ATOM 0 HA ALA A 59 8.215 -6.654 -12.446 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.705 -6.615 -11.836 1.00 0.00 H new ATOM 0 HB2 ALA A 59 6.686 -5.625 -10.729 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.741 -4.845 -12.020 1.00 0.00 H new ATOM 934 N LEU A 60 6.265 -5.240 -14.806 1.00 0.00 N ATOM 935 CA LEU A 60 5.656 -5.449 -16.160 1.00 0.00 C ATOM 936 C LEU A 60 6.668 -5.530 -17.344 1.00 0.00 C ATOM 937 O LEU A 60 6.458 -6.312 -18.270 1.00 0.00 O ATOM 938 CB LEU A 60 4.660 -4.289 -16.434 1.00 0.00 C ATOM 939 CG LEU A 60 3.582 -4.518 -17.524 1.00 0.00 C ATOM 940 CD1 LEU A 60 2.317 -3.707 -17.184 1.00 0.00 C ATOM 941 CD2 LEU A 60 4.039 -4.193 -18.961 1.00 0.00 C ATOM 0 H LEU A 60 6.121 -4.299 -14.441 1.00 0.00 H new ATOM 0 HA LEU A 60 5.172 -6.425 -16.122 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.150 -4.055 -15.500 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.238 -3.407 -16.711 1.00 0.00 H new ATOM 0 HG LEU A 60 3.376 -5.588 -17.515 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.562 -3.871 -17.953 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.927 -4.029 -16.218 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.566 -2.647 -17.140 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.220 -4.383 -19.655 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.330 -3.144 -19.022 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.890 -4.822 -19.223 1.00 0.00 H new ATOM 953 N GLY A 61 7.731 -4.706 -17.351 1.00 0.00 N ATOM 954 CA GLY A 61 8.773 -4.728 -18.409 1.00 0.00 C ATOM 955 C GLY A 61 9.505 -6.060 -18.666 1.00 0.00 C ATOM 956 O GLY A 61 9.646 -6.428 -19.834 1.00 0.00 O ATOM 0 H GLY A 61 7.897 -4.006 -16.628 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.308 -4.415 -19.344 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.522 -3.977 -18.158 1.00 0.00 H new ATOM 960 N PHE A 62 9.943 -6.780 -17.608 1.00 0.00 N ATOM 961 CA PHE A 62 10.496 -8.161 -17.706 1.00 0.00 C ATOM 962 C PHE A 62 11.979 -8.079 -18.157 1.00 0.00 C ATOM 963 O PHE A 62 12.290 -7.434 -19.169 1.00 0.00 O ATOM 964 CB PHE A 62 9.797 -9.194 -18.639 1.00 0.00 C ATOM 965 CG PHE A 62 8.320 -9.336 -18.398 1.00 0.00 C ATOM 966 CD1 PHE A 62 7.787 -9.505 -17.107 1.00 0.00 C ATOM 967 CD2 PHE A 62 7.447 -9.362 -19.502 1.00 0.00 C ATOM 968 CE1 PHE A 62 6.412 -9.700 -16.928 1.00 0.00 C ATOM 969 CE2 PHE A 62 6.075 -9.560 -19.325 1.00 0.00 C ATOM 970 CZ PHE A 62 5.559 -9.736 -18.037 1.00 0.00 C ATOM 0 H PHE A 62 9.925 -6.421 -16.653 1.00 0.00 H new ATOM 0 HA PHE A 62 10.330 -8.547 -16.700 1.00 0.00 H new ATOM 0 HB2 PHE A 62 9.959 -8.899 -19.676 1.00 0.00 H new ATOM 0 HB3 PHE A 62 10.271 -10.166 -18.507 1.00 0.00 H new ATOM 0 HD1 PHE A 62 8.442 -9.484 -16.249 1.00 0.00 H new ATOM 0 HD2 PHE A 62 7.842 -9.227 -20.498 1.00 0.00 H new ATOM 0 HE1 PHE A 62 6.009 -9.823 -15.933 1.00 0.00 H new ATOM 0 HE2 PHE A 62 5.415 -9.577 -20.180 1.00 0.00 H new ATOM 0 HZ PHE A 62 4.501 -9.900 -17.898 1.00 0.00 H new ATOM 980 N GLU A 63 12.893 -8.799 -17.478 1.00 0.00 N ATOM 981 CA GLU A 63 14.364 -8.564 -17.743 1.00 0.00 C ATOM 982 C GLU A 63 14.942 -8.792 -19.188 1.00 0.00 C ATOM 983 O GLU A 63 15.994 -8.172 -19.396 1.00 0.00 O ATOM 984 CB GLU A 63 15.285 -9.224 -16.689 1.00 0.00 C ATOM 985 CG GLU A 63 15.199 -8.529 -15.313 1.00 0.00 C ATOM 986 CD GLU A 63 15.721 -7.098 -15.441 1.00 0.00 C ATOM 987 OE1 GLU A 63 16.948 -6.924 -15.663 1.00 0.00 O ATOM 988 OE2 GLU A 63 14.896 -6.145 -15.386 1.00 0.00 O ATOM 0 H GLU A 63 12.680 -9.511 -16.779 1.00 0.00 H new ATOM 0 HA GLU A 63 14.378 -7.478 -17.650 1.00 0.00 H new ATOM 0 HB2 GLU A 63 15.013 -10.274 -16.580 1.00 0.00 H new ATOM 0 HB3 GLU A 63 16.316 -9.196 -17.043 1.00 0.00 H new ATOM 0 HG2 GLU A 63 14.168 -8.523 -14.959 1.00 0.00 H new ATOM 0 HG3 GLU A 63 15.786 -9.079 -14.577 1.00 0.00 H new ATOM 995 N PRO A 64 14.408 -9.488 -20.232 1.00 0.00 N ATOM 996 CA PRO A 64 14.908 -9.350 -21.638 1.00 0.00 C ATOM 997 C PRO A 64 15.331 -7.930 -22.204 1.00 0.00 C ATOM 998 O PRO A 64 16.166 -7.864 -23.108 1.00 0.00 O ATOM 999 CB PRO A 64 13.807 -10.013 -22.464 1.00 0.00 C ATOM 1000 CG PRO A 64 13.318 -11.142 -21.546 1.00 0.00 C ATOM 1001 CD PRO A 64 13.376 -10.519 -20.144 1.00 0.00 C ATOM 0 HA PRO A 64 15.894 -9.812 -21.689 1.00 0.00 H new ATOM 0 HB2 PRO A 64 13.007 -9.313 -22.705 1.00 0.00 H new ATOM 0 HB3 PRO A 64 14.189 -10.398 -23.409 1.00 0.00 H new ATOM 0 HG2 PRO A 64 12.307 -11.458 -21.803 1.00 0.00 H new ATOM 0 HG3 PRO A 64 13.955 -12.023 -21.620 1.00 0.00 H new ATOM 0 HD2 PRO A 64 12.414 -10.092 -19.862 1.00 0.00 H new ATOM 0 HD3 PRO A 64 13.627 -11.265 -19.390 1.00 0.00 H new ATOM 1009 N LYS A 65 14.708 -6.827 -21.723 1.00 0.00 N ATOM 1010 CA LYS A 65 14.962 -5.409 -22.129 1.00 0.00 C ATOM 1011 C LYS A 65 14.168 -5.056 -23.427 1.00 0.00 C ATOM 1012 O LYS A 65 13.120 -4.415 -23.324 1.00 0.00 O ATOM 1013 CB LYS A 65 16.435 -4.927 -22.211 1.00 0.00 C ATOM 1014 CG LYS A 65 17.274 -5.117 -20.928 1.00 0.00 C ATOM 1015 CD LYS A 65 16.820 -4.318 -19.685 1.00 0.00 C ATOM 1016 CE LYS A 65 16.146 -5.193 -18.612 1.00 0.00 C ATOM 1017 NZ LYS A 65 15.877 -4.469 -17.348 1.00 0.00 N ATOM 0 H LYS A 65 13.982 -6.896 -21.010 1.00 0.00 H new ATOM 0 HA LYS A 65 14.586 -4.839 -21.279 1.00 0.00 H new ATOM 0 HB2 LYS A 65 16.927 -5.457 -23.027 1.00 0.00 H new ATOM 0 HB3 LYS A 65 16.438 -3.869 -22.472 1.00 0.00 H new ATOM 0 HG2 LYS A 65 17.272 -6.177 -20.672 1.00 0.00 H new ATOM 0 HG3 LYS A 65 18.306 -4.845 -21.151 1.00 0.00 H new ATOM 0 HD2 LYS A 65 17.684 -3.819 -19.247 1.00 0.00 H new ATOM 0 HD3 LYS A 65 16.126 -3.538 -19.997 1.00 0.00 H new ATOM 0 HE2 LYS A 65 15.207 -5.581 -19.007 1.00 0.00 H new ATOM 0 HE3 LYS A 65 16.783 -6.052 -18.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 15.209 -5.017 -16.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 16.766 -4.343 -16.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 15.467 -3.538 -17.562 1.00 0.00 H new ATOM 1031 N LYS A 66 14.670 -5.422 -24.632 1.00 0.00 N ATOM 1032 CA LYS A 66 14.128 -4.960 -25.951 1.00 0.00 C ATOM 1033 C LYS A 66 14.127 -3.396 -26.154 1.00 0.00 C ATOM 1034 O LYS A 66 14.330 -2.603 -25.226 1.00 0.00 O ATOM 1035 CB LYS A 66 12.753 -5.572 -26.334 1.00 0.00 C ATOM 1036 CG LYS A 66 12.847 -6.904 -27.102 1.00 0.00 C ATOM 1037 CD LYS A 66 13.313 -6.724 -28.559 1.00 0.00 C ATOM 1038 CE LYS A 66 13.313 -8.022 -29.380 1.00 0.00 C ATOM 1039 NZ LYS A 66 13.744 -7.760 -30.774 1.00 0.00 N ATOM 0 H LYS A 66 15.468 -6.050 -24.726 1.00 0.00 H new ATOM 0 HA LYS A 66 14.858 -5.363 -26.653 1.00 0.00 H new ATOM 0 HB2 LYS A 66 12.172 -5.730 -25.425 1.00 0.00 H new ATOM 0 HB3 LYS A 66 12.204 -4.853 -26.942 1.00 0.00 H new ATOM 0 HG2 LYS A 66 13.539 -7.568 -26.584 1.00 0.00 H new ATOM 0 HG3 LYS A 66 11.872 -7.391 -27.095 1.00 0.00 H new ATOM 0 HD2 LYS A 66 12.666 -5.996 -29.049 1.00 0.00 H new ATOM 0 HD3 LYS A 66 14.320 -6.306 -28.559 1.00 0.00 H new ATOM 0 HE2 LYS A 66 13.980 -8.750 -28.919 1.00 0.00 H new ATOM 0 HE3 LYS A 66 12.314 -8.459 -29.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 13.737 -8.650 -31.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 13.092 -7.082 -31.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 14.706 -7.364 -30.771 1.00 0.00 H new ATOM 1053 N GLU A 67 13.902 -2.944 -27.404 1.00 0.00 N ATOM 1054 CA GLU A 67 13.800 -1.482 -27.720 1.00 0.00 C ATOM 1055 C GLU A 67 12.383 -0.890 -27.391 1.00 0.00 C ATOM 1056 O GLU A 67 11.595 -0.524 -28.277 1.00 0.00 O ATOM 1057 CB GLU A 67 14.083 -1.193 -29.208 1.00 0.00 C ATOM 1058 CG GLU A 67 15.532 -1.500 -29.620 1.00 0.00 C ATOM 1059 CD GLU A 67 15.762 -0.960 -31.027 1.00 0.00 C ATOM 1060 OE1 GLU A 67 15.663 0.287 -31.197 1.00 0.00 O ATOM 1061 OE2 GLU A 67 16.020 -1.778 -31.947 1.00 0.00 O ATOM 0 H GLU A 67 13.787 -3.554 -28.213 1.00 0.00 H new ATOM 0 HA GLU A 67 14.552 -1.007 -27.090 1.00 0.00 H new ATOM 0 HB2 GLU A 67 13.404 -1.785 -29.822 1.00 0.00 H new ATOM 0 HB3 GLU A 67 13.868 -0.145 -29.415 1.00 0.00 H new ATOM 0 HG2 GLU A 67 16.230 -1.041 -28.920 1.00 0.00 H new ATOM 0 HG3 GLU A 67 15.714 -2.574 -29.593 1.00 0.00 H new ATOM 1068 N GLU A 68 12.069 -0.769 -26.086 1.00 0.00 N ATOM 1069 CA GLU A 68 10.718 -0.363 -25.616 1.00 0.00 C ATOM 1070 C GLU A 68 10.723 0.206 -24.171 1.00 0.00 C ATOM 1071 O GLU A 68 10.189 1.301 -24.006 1.00 0.00 O ATOM 1072 CB GLU A 68 9.667 -1.492 -25.747 1.00 0.00 C ATOM 1073 CG GLU A 68 10.038 -2.838 -25.105 1.00 0.00 C ATOM 1074 CD GLU A 68 9.020 -3.869 -25.584 1.00 0.00 C ATOM 1075 OE1 GLU A 68 7.804 -3.627 -25.368 1.00 0.00 O ATOM 1076 OE2 GLU A 68 9.446 -4.879 -26.202 1.00 0.00 O ATOM 0 H GLU A 68 12.732 -0.946 -25.331 1.00 0.00 H new ATOM 0 HA GLU A 68 10.423 0.443 -26.288 1.00 0.00 H new ATOM 0 HB2 GLU A 68 8.734 -1.145 -25.303 1.00 0.00 H new ATOM 0 HB3 GLU A 68 9.473 -1.659 -26.807 1.00 0.00 H new ATOM 0 HG2 GLU A 68 11.047 -3.134 -25.391 1.00 0.00 H new ATOM 0 HG3 GLU A 68 10.024 -2.761 -24.018 1.00 0.00 H new ATOM 1083 N ILE A 69 11.261 -0.432 -23.113 1.00 0.00 N ATOM 1084 CA ILE A 69 11.047 0.056 -21.704 1.00 0.00 C ATOM 1085 C ILE A 69 11.928 1.306 -21.363 1.00 0.00 C ATOM 1086 O ILE A 69 11.396 2.278 -20.808 1.00 0.00 O ATOM 1087 CB ILE A 69 11.357 -1.058 -20.701 1.00 0.00 C ATOM 1088 CG1 ILE A 69 10.637 -2.387 -21.063 1.00 0.00 C ATOM 1089 CG2 ILE A 69 11.000 -0.607 -19.270 1.00 0.00 C ATOM 1090 CD1 ILE A 69 9.108 -2.292 -21.167 1.00 0.00 C ATOM 0 H ILE A 69 11.838 -1.270 -23.186 1.00 0.00 H new ATOM 0 HA ILE A 69 10.000 0.349 -21.632 1.00 0.00 H new ATOM 0 HB ILE A 69 12.428 -1.255 -20.748 1.00 0.00 H new ATOM 0 HG12 ILE A 69 11.029 -2.747 -22.014 1.00 0.00 H new ATOM 0 HG13 ILE A 69 10.889 -3.135 -20.311 1.00 0.00 H new ATOM 0 HG21 ILE A 69 11.226 -1.410 -18.568 1.00 0.00 H new ATOM 0 HG22 ILE A 69 11.583 0.276 -19.011 1.00 0.00 H new ATOM 0 HG23 ILE A 69 9.938 -0.368 -19.218 1.00 0.00 H new ATOM 0 HD11 ILE A 69 8.699 -3.269 -21.423 1.00 0.00 H new ATOM 0 HD12 ILE A 69 8.698 -1.967 -20.211 1.00 0.00 H new ATOM 0 HD13 ILE A 69 8.840 -1.572 -21.941 1.00 0.00 H new ATOM 1102 N LYS A 70 13.229 1.327 -21.740 1.00 0.00 N ATOM 1103 CA LYS A 70 14.054 2.571 -21.666 1.00 0.00 C ATOM 1104 C LYS A 70 13.529 3.718 -22.610 1.00 0.00 C ATOM 1105 O LYS A 70 13.524 4.882 -22.204 1.00 0.00 O ATOM 1106 CB LYS A 70 15.532 2.283 -22.029 1.00 0.00 C ATOM 1107 CG LYS A 70 16.489 3.464 -21.784 1.00 0.00 C ATOM 1108 CD LYS A 70 17.955 3.130 -22.103 1.00 0.00 C ATOM 1109 CE LYS A 70 18.893 4.326 -21.877 1.00 0.00 C ATOM 1110 NZ LYS A 70 20.300 3.981 -22.196 1.00 0.00 N ATOM 0 H LYS A 70 13.730 0.512 -22.094 1.00 0.00 H new ATOM 0 HA LYS A 70 13.973 2.910 -20.633 1.00 0.00 H new ATOM 0 HB2 LYS A 70 15.876 1.426 -21.449 1.00 0.00 H new ATOM 0 HB3 LYS A 70 15.587 1.999 -23.080 1.00 0.00 H new ATOM 0 HG2 LYS A 70 16.175 4.311 -22.394 1.00 0.00 H new ATOM 0 HG3 LYS A 70 16.412 3.776 -20.742 1.00 0.00 H new ATOM 0 HD2 LYS A 70 18.278 2.296 -21.480 1.00 0.00 H new ATOM 0 HD3 LYS A 70 18.032 2.802 -23.140 1.00 0.00 H new ATOM 0 HE2 LYS A 70 18.573 5.163 -22.497 1.00 0.00 H new ATOM 0 HE3 LYS A 70 18.824 4.653 -20.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 20.906 4.810 -22.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 20.612 3.198 -21.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 20.369 3.692 -23.193 1.00 0.00 H new ATOM 1124 N LYS A 71 13.047 3.384 -23.828 1.00 0.00 N ATOM 1125 CA LYS A 71 12.318 4.338 -24.713 1.00 0.00 C ATOM 1126 C LYS A 71 10.986 4.879 -24.094 1.00 0.00 C ATOM 1127 O LYS A 71 10.841 6.094 -24.054 1.00 0.00 O ATOM 1128 CB LYS A 71 12.004 3.753 -26.109 1.00 0.00 C ATOM 1129 CG LYS A 71 13.275 3.367 -26.882 1.00 0.00 C ATOM 1130 CD LYS A 71 13.016 3.020 -28.357 1.00 0.00 C ATOM 1131 CE LYS A 71 14.311 2.688 -29.118 1.00 0.00 C ATOM 1132 NZ LYS A 71 14.045 2.334 -30.532 1.00 0.00 N ATOM 0 H LYS A 71 13.148 2.452 -24.229 1.00 0.00 H new ATOM 0 HA LYS A 71 13.016 5.168 -24.819 1.00 0.00 H new ATOM 0 HB2 LYS A 71 11.369 2.874 -25.997 1.00 0.00 H new ATOM 0 HB3 LYS A 71 11.438 4.484 -26.687 1.00 0.00 H new ATOM 0 HG2 LYS A 71 13.986 4.192 -26.831 1.00 0.00 H new ATOM 0 HG3 LYS A 71 13.742 2.512 -26.393 1.00 0.00 H new ATOM 0 HD2 LYS A 71 12.337 2.169 -28.413 1.00 0.00 H new ATOM 0 HD3 LYS A 71 12.517 3.859 -28.843 1.00 0.00 H new ATOM 0 HE2 LYS A 71 14.985 3.544 -29.079 1.00 0.00 H new ATOM 0 HE3 LYS A 71 14.819 1.859 -28.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 14.670 1.554 -30.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 13.053 2.039 -30.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 14.225 3.161 -31.137 1.00 0.00 H new ATOM 1146 N MET A 72 10.049 4.047 -23.582 1.00 0.00 N ATOM 1147 CA MET A 72 8.784 4.524 -22.938 1.00 0.00 C ATOM 1148 C MET A 72 9.019 5.510 -21.735 1.00 0.00 C ATOM 1149 O MET A 72 8.402 6.582 -21.733 1.00 0.00 O ATOM 1150 CB MET A 72 7.841 3.377 -22.506 1.00 0.00 C ATOM 1151 CG MET A 72 6.819 2.944 -23.586 1.00 0.00 C ATOM 1152 SD MET A 72 7.466 2.212 -25.130 1.00 0.00 S ATOM 1153 CE MET A 72 7.618 3.692 -26.178 1.00 0.00 C ATOM 0 H MET A 72 10.139 3.031 -23.599 1.00 0.00 H new ATOM 0 HA MET A 72 8.288 5.084 -23.731 1.00 0.00 H new ATOM 0 HB2 MET A 72 8.444 2.513 -22.228 1.00 0.00 H new ATOM 0 HB3 MET A 72 7.298 3.687 -21.613 1.00 0.00 H new ATOM 0 HG2 MET A 72 6.139 2.222 -23.133 1.00 0.00 H new ATOM 0 HG3 MET A 72 6.225 3.818 -23.853 1.00 0.00 H new ATOM 0 HE1 MET A 72 7.688 3.392 -27.224 1.00 0.00 H new ATOM 0 HE2 MET A 72 6.743 4.327 -26.041 1.00 0.00 H new ATOM 0 HE3 MET A 72 8.515 4.245 -25.899 1.00 0.00 H new ATOM 1163 N ILE A 73 9.924 5.219 -20.757 1.00 0.00 N ATOM 1164 CA ILE A 73 10.277 6.211 -19.684 1.00 0.00 C ATOM 1165 C ILE A 73 10.944 7.518 -20.255 1.00 0.00 C ATOM 1166 O ILE A 73 10.477 8.600 -19.901 1.00 0.00 O ATOM 1167 CB ILE A 73 11.238 5.530 -18.711 1.00 0.00 C ATOM 1168 CG1 ILE A 73 10.564 4.332 -17.986 1.00 0.00 C ATOM 1169 CG2 ILE A 73 11.830 6.532 -17.705 1.00 0.00 C ATOM 1170 CD1 ILE A 73 9.357 4.694 -17.109 1.00 0.00 C ATOM 0 H ILE A 73 10.416 4.328 -20.684 1.00 0.00 H new ATOM 0 HA ILE A 73 9.357 6.521 -19.189 1.00 0.00 H new ATOM 0 HB ILE A 73 12.064 5.132 -19.300 1.00 0.00 H new ATOM 0 HG12 ILE A 73 10.244 3.608 -18.735 1.00 0.00 H new ATOM 0 HG13 ILE A 73 11.310 3.838 -17.363 1.00 0.00 H new ATOM 0 HG21 ILE A 73 12.509 6.011 -17.029 1.00 0.00 H new ATOM 0 HG22 ILE A 73 12.377 7.307 -18.242 1.00 0.00 H new ATOM 0 HG23 ILE A 73 11.025 6.989 -17.130 1.00 0.00 H new ATOM 0 HD11 ILE A 73 8.958 3.790 -16.648 1.00 0.00 H new ATOM 0 HD12 ILE A 73 9.668 5.392 -16.331 1.00 0.00 H new ATOM 0 HD13 ILE A 73 8.586 5.157 -17.725 1.00 0.00 H new ATOM 1182 N SER A 74 11.964 7.456 -21.140 1.00 0.00 N ATOM 1183 CA SER A 74 12.556 8.670 -21.786 1.00 0.00 C ATOM 1184 C SER A 74 11.638 9.491 -22.773 1.00 0.00 C ATOM 1185 O SER A 74 11.859 10.686 -22.974 1.00 0.00 O ATOM 1186 CB SER A 74 13.843 8.321 -22.564 1.00 0.00 C ATOM 1187 OG SER A 74 14.795 7.709 -21.701 1.00 0.00 O ATOM 0 H SER A 74 12.401 6.581 -21.430 1.00 0.00 H new ATOM 0 HA SER A 74 12.734 9.310 -20.922 1.00 0.00 H new ATOM 0 HB2 SER A 74 13.606 7.649 -23.389 1.00 0.00 H new ATOM 0 HB3 SER A 74 14.267 9.225 -23.001 1.00 0.00 H new ATOM 0 HG SER A 74 14.607 6.749 -21.635 1.00 0.00 H new ATOM 1193 N GLU A 75 10.630 8.855 -23.387 1.00 0.00 N ATOM 1194 CA GLU A 75 9.631 9.481 -24.287 1.00 0.00 C ATOM 1195 C GLU A 75 8.501 10.233 -23.518 1.00 0.00 C ATOM 1196 O GLU A 75 8.139 11.333 -23.944 1.00 0.00 O ATOM 1197 CB GLU A 75 8.957 8.398 -25.165 1.00 0.00 C ATOM 1198 CG GLU A 75 8.017 8.923 -26.263 1.00 0.00 C ATOM 1199 CD GLU A 75 7.470 7.727 -27.037 1.00 0.00 C ATOM 1200 OE1 GLU A 75 6.757 6.898 -26.411 1.00 0.00 O ATOM 1201 OE2 GLU A 75 7.765 7.621 -28.256 1.00 0.00 O ATOM 0 H GLU A 75 10.476 7.853 -23.271 1.00 0.00 H new ATOM 0 HA GLU A 75 10.181 10.204 -24.890 1.00 0.00 H new ATOM 0 HB2 GLU A 75 9.737 7.800 -25.635 1.00 0.00 H new ATOM 0 HB3 GLU A 75 8.391 7.730 -24.516 1.00 0.00 H new ATOM 0 HG2 GLU A 75 7.201 9.496 -25.822 1.00 0.00 H new ATOM 0 HG3 GLU A 75 8.553 9.596 -26.932 1.00 0.00 H new ATOM 1208 N ILE A 76 7.940 9.691 -22.410 1.00 0.00 N ATOM 1209 CA ILE A 76 6.988 10.454 -21.538 1.00 0.00 C ATOM 1210 C ILE A 76 7.741 11.425 -20.542 1.00 0.00 C ATOM 1211 O ILE A 76 7.210 12.506 -20.255 1.00 0.00 O ATOM 1212 CB ILE A 76 6.085 9.531 -20.714 1.00 0.00 C ATOM 1213 CG1 ILE A 76 5.610 8.288 -21.506 1.00 0.00 C ATOM 1214 CG2 ILE A 76 4.848 10.316 -20.212 1.00 0.00 C ATOM 1215 CD1 ILE A 76 5.128 7.172 -20.579 1.00 0.00 C ATOM 0 H ILE A 76 8.122 8.739 -22.094 1.00 0.00 H new ATOM 0 HA ILE A 76 6.376 11.038 -22.226 1.00 0.00 H new ATOM 0 HB ILE A 76 6.682 9.176 -19.874 1.00 0.00 H new ATOM 0 HG12 ILE A 76 4.803 8.574 -22.180 1.00 0.00 H new ATOM 0 HG13 ILE A 76 6.427 7.918 -22.125 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.210 9.654 -19.627 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.174 11.149 -19.590 1.00 0.00 H new ATOM 0 HG23 ILE A 76 4.288 10.698 -21.066 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.804 6.319 -21.175 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.943 6.867 -19.922 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.293 7.533 -19.978 1.00 0.00 H new ATOM 1227 N ASP A 77 8.958 11.099 -20.047 1.00 0.00 N ATOM 1228 CA ASP A 77 9.844 12.070 -19.315 1.00 0.00 C ATOM 1229 C ASP A 77 10.548 13.011 -20.364 1.00 0.00 C ATOM 1230 O ASP A 77 11.715 12.836 -20.730 1.00 0.00 O ATOM 1231 CB ASP A 77 11.015 11.436 -18.479 1.00 0.00 C ATOM 1232 CG ASP A 77 10.609 10.813 -17.135 1.00 0.00 C ATOM 1233 OD1 ASP A 77 10.116 11.575 -16.261 1.00 0.00 O ATOM 1234 OD2 ASP A 77 10.840 9.593 -16.918 1.00 0.00 O ATOM 0 H ASP A 77 9.362 10.167 -20.136 1.00 0.00 H new ATOM 0 HA ASP A 77 9.171 12.574 -18.622 1.00 0.00 H new ATOM 0 HB2 ASP A 77 11.495 10.668 -19.085 1.00 0.00 H new ATOM 0 HB3 ASP A 77 11.762 12.207 -18.291 1.00 0.00 H new ATOM 1239 N LYS A 78 9.805 14.024 -20.846 1.00 0.00 N ATOM 1240 CA LYS A 78 10.228 14.869 -22.002 1.00 0.00 C ATOM 1241 C LYS A 78 9.770 16.364 -21.916 1.00 0.00 C ATOM 1242 O LYS A 78 10.577 17.262 -22.160 1.00 0.00 O ATOM 1243 CB LYS A 78 9.685 14.248 -23.311 1.00 0.00 C ATOM 1244 CG LYS A 78 10.271 14.831 -24.609 1.00 0.00 C ATOM 1245 CD LYS A 78 9.993 13.954 -25.847 1.00 0.00 C ATOM 1246 CE LYS A 78 8.508 13.757 -26.201 1.00 0.00 C ATOM 1247 NZ LYS A 78 7.864 15.011 -26.644 1.00 0.00 N ATOM 0 H LYS A 78 8.900 14.287 -20.456 1.00 0.00 H new ATOM 0 HA LYS A 78 11.318 14.884 -21.982 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.880 13.176 -23.293 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.603 14.374 -23.332 1.00 0.00 H new ATOM 0 HG2 LYS A 78 9.854 15.825 -24.774 1.00 0.00 H new ATOM 0 HG3 LYS A 78 11.348 14.952 -24.492 1.00 0.00 H new ATOM 0 HD2 LYS A 78 10.497 14.398 -26.705 1.00 0.00 H new ATOM 0 HD3 LYS A 78 10.443 12.974 -25.685 1.00 0.00 H new ATOM 0 HE2 LYS A 78 8.421 13.009 -26.989 1.00 0.00 H new ATOM 0 HE3 LYS A 78 7.979 13.367 -25.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 6.830 14.901 -26.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 8.150 15.789 -26.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 8.158 15.227 -27.618 1.00 0.00 H new ATOM 1261 N GLU A 79 8.490 16.622 -21.589 1.00 0.00 N ATOM 1262 CA GLU A 79 7.910 17.995 -21.505 1.00 0.00 C ATOM 1263 C GLU A 79 7.899 18.506 -20.029 1.00 0.00 C ATOM 1264 O GLU A 79 8.501 19.535 -19.717 1.00 0.00 O ATOM 1265 CB GLU A 79 6.441 18.058 -22.007 1.00 0.00 C ATOM 1266 CG GLU A 79 6.282 18.193 -23.533 1.00 0.00 C ATOM 1267 CD GLU A 79 6.880 17.006 -24.270 1.00 0.00 C ATOM 1268 OE1 GLU A 79 6.436 15.852 -24.028 1.00 0.00 O ATOM 1269 OE2 GLU A 79 7.797 17.226 -25.106 1.00 0.00 O ATOM 0 H GLU A 79 7.817 15.886 -21.373 1.00 0.00 H new ATOM 0 HA GLU A 79 8.543 18.615 -22.140 1.00 0.00 H new ATOM 0 HB2 GLU A 79 5.922 17.157 -21.681 1.00 0.00 H new ATOM 0 HB3 GLU A 79 5.945 18.902 -21.529 1.00 0.00 H new ATOM 0 HG2 GLU A 79 5.224 18.280 -23.782 1.00 0.00 H new ATOM 0 HG3 GLU A 79 6.765 19.110 -23.869 1.00 0.00 H new ATOM 1276 N GLY A 80 7.213 17.778 -19.132 1.00 0.00 N ATOM 1277 CA GLY A 80 7.294 18.011 -17.671 1.00 0.00 C ATOM 1278 C GLY A 80 7.309 16.706 -16.855 1.00 0.00 C ATOM 1279 O GLY A 80 6.419 16.482 -16.033 1.00 0.00 O ATOM 0 H GLY A 80 6.589 17.014 -19.392 1.00 0.00 H new ATOM 0 HA2 GLY A 80 8.195 18.582 -17.449 1.00 0.00 H new ATOM 0 HA3 GLY A 80 6.446 18.619 -17.358 1.00 0.00 H new ATOM 1283 N THR A 81 8.310 15.842 -17.121 1.00 0.00 N ATOM 1284 CA THR A 81 8.478 14.494 -16.490 1.00 0.00 C ATOM 1285 C THR A 81 7.281 13.515 -16.810 1.00 0.00 C ATOM 1286 O THR A 81 6.233 13.885 -17.350 1.00 0.00 O ATOM 1287 CB THR A 81 8.848 14.498 -15.007 1.00 0.00 C ATOM 1288 OG1 THR A 81 7.799 14.992 -14.181 1.00 0.00 O ATOM 1289 CG2 THR A 81 10.121 15.345 -14.798 1.00 0.00 C ATOM 0 H THR A 81 9.046 16.056 -17.794 1.00 0.00 H new ATOM 0 HA THR A 81 9.366 14.094 -16.980 1.00 0.00 H new ATOM 0 HB THR A 81 9.026 13.464 -14.712 1.00 0.00 H new ATOM 0 HG1 THR A 81 7.128 15.439 -14.737 1.00 0.00 H new ATOM 0 HG21 THR A 81 10.386 15.349 -13.741 1.00 0.00 H new ATOM 0 HG22 THR A 81 10.941 14.919 -15.376 1.00 0.00 H new ATOM 0 HG23 THR A 81 9.937 16.367 -15.129 1.00 0.00 H new ATOM 1297 N GLY A 82 7.480 12.219 -16.539 1.00 0.00 N ATOM 1298 CA GLY A 82 6.564 11.141 -16.979 1.00 0.00 C ATOM 1299 C GLY A 82 5.421 10.778 -16.032 1.00 0.00 C ATOM 1300 O GLY A 82 5.492 9.857 -15.218 1.00 0.00 O ATOM 0 H GLY A 82 8.281 11.880 -16.007 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.132 11.432 -17.937 1.00 0.00 H new ATOM 0 HA3 GLY A 82 7.156 10.243 -17.156 1.00 0.00 H new ATOM 1304 N LYS A 83 4.347 11.518 -16.247 1.00 0.00 N ATOM 1305 CA LYS A 83 3.011 11.246 -15.656 1.00 0.00 C ATOM 1306 C LYS A 83 2.154 10.534 -16.744 1.00 0.00 C ATOM 1307 O LYS A 83 1.951 11.056 -17.847 1.00 0.00 O ATOM 1308 CB LYS A 83 2.274 12.478 -15.064 1.00 0.00 C ATOM 1309 CG LYS A 83 1.769 13.597 -16.004 1.00 0.00 C ATOM 1310 CD LYS A 83 2.848 14.449 -16.702 1.00 0.00 C ATOM 1311 CE LYS A 83 3.016 14.127 -18.197 1.00 0.00 C ATOM 1312 NZ LYS A 83 4.111 14.925 -18.797 1.00 0.00 N ATOM 0 H LYS A 83 4.360 12.344 -16.845 1.00 0.00 H new ATOM 0 HA LYS A 83 3.165 10.612 -14.783 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.412 12.106 -14.510 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.944 12.940 -14.339 1.00 0.00 H new ATOM 0 HG2 LYS A 83 1.145 13.141 -16.772 1.00 0.00 H new ATOM 0 HG3 LYS A 83 1.128 14.264 -15.427 1.00 0.00 H new ATOM 0 HD2 LYS A 83 2.594 15.503 -16.592 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.802 14.297 -16.197 1.00 0.00 H new ATOM 0 HE2 LYS A 83 3.226 13.065 -18.322 1.00 0.00 H new ATOM 0 HE3 LYS A 83 2.083 14.331 -18.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 4.168 14.725 -19.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 3.922 15.937 -18.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 5.013 14.673 -18.344 1.00 0.00 H new ATOM 1326 N MET A 84 1.741 9.305 -16.446 1.00 0.00 N ATOM 1327 CA MET A 84 1.082 8.416 -17.434 1.00 0.00 C ATOM 1328 C MET A 84 -0.402 8.207 -17.062 1.00 0.00 C ATOM 1329 O MET A 84 -0.697 7.846 -15.922 1.00 0.00 O ATOM 1330 CB MET A 84 1.811 7.059 -17.509 1.00 0.00 C ATOM 1331 CG MET A 84 1.567 6.272 -18.804 1.00 0.00 C ATOM 1332 SD MET A 84 2.710 4.872 -18.984 1.00 0.00 S ATOM 1333 CE MET A 84 2.683 4.709 -20.787 1.00 0.00 C ATOM 0 H MET A 84 1.847 8.887 -15.522 1.00 0.00 H new ATOM 0 HA MET A 84 1.132 8.891 -18.414 1.00 0.00 H new ATOM 0 HB2 MET A 84 2.882 7.230 -17.400 1.00 0.00 H new ATOM 0 HB3 MET A 84 1.499 6.447 -16.663 1.00 0.00 H new ATOM 0 HG2 MET A 84 0.541 5.904 -18.816 1.00 0.00 H new ATOM 0 HG3 MET A 84 1.676 6.940 -19.659 1.00 0.00 H new ATOM 0 HE1 MET A 84 3.547 4.129 -21.113 1.00 0.00 H new ATOM 0 HE2 MET A 84 1.769 4.201 -21.093 1.00 0.00 H new ATOM 0 HE3 MET A 84 2.717 5.699 -21.242 1.00 0.00 H new ATOM 1343 N ASN A 85 -1.312 8.327 -18.038 1.00 0.00 N ATOM 1344 CA ASN A 85 -2.730 7.932 -17.854 1.00 0.00 C ATOM 1345 C ASN A 85 -2.971 6.506 -18.457 1.00 0.00 C ATOM 1346 O ASN A 85 -2.130 5.933 -19.164 1.00 0.00 O ATOM 1347 CB ASN A 85 -3.789 8.970 -18.350 1.00 0.00 C ATOM 1348 CG ASN A 85 -4.273 8.824 -19.807 1.00 0.00 C ATOM 1349 OD1 ASN A 85 -5.399 8.358 -20.024 1.00 0.00 O ATOM 1350 ND2 ASN A 85 -3.432 9.215 -20.802 1.00 0.00 N ATOM 0 H ASN A 85 -1.099 8.694 -18.966 1.00 0.00 H new ATOM 0 HA ASN A 85 -2.893 7.906 -16.777 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -4.658 8.909 -17.695 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -3.369 9.969 -18.230 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -3.721 9.130 -21.777 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -2.513 9.594 -20.574 1.00 0.00 H new ATOM 1357 N PHE A 86 -4.139 5.910 -18.162 1.00 0.00 N ATOM 1358 CA PHE A 86 -4.450 4.534 -18.664 1.00 0.00 C ATOM 1359 C PHE A 86 -4.652 4.444 -20.221 1.00 0.00 C ATOM 1360 O PHE A 86 -4.381 3.382 -20.786 1.00 0.00 O ATOM 1361 CB PHE A 86 -5.737 4.023 -17.951 1.00 0.00 C ATOM 1362 CG PHE A 86 -5.909 2.522 -17.925 1.00 0.00 C ATOM 1363 CD1 PHE A 86 -4.860 1.671 -17.534 1.00 0.00 C ATOM 1364 CD2 PHE A 86 -7.173 1.957 -18.176 1.00 0.00 C ATOM 1365 CE1 PHE A 86 -5.068 0.294 -17.392 1.00 0.00 C ATOM 1366 CE2 PHE A 86 -7.380 0.577 -18.043 1.00 0.00 C ATOM 1367 CZ PHE A 86 -6.327 -0.256 -17.652 1.00 0.00 C ATOM 0 H PHE A 86 -4.874 6.334 -17.595 1.00 0.00 H new ATOM 0 HA PHE A 86 -3.583 3.915 -18.435 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.733 4.389 -16.924 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -6.604 4.463 -18.443 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -3.881 2.085 -17.341 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -7.993 2.594 -18.474 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -4.255 -0.345 -17.081 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -8.354 0.156 -18.243 1.00 0.00 H new ATOM 0 HZ PHE A 86 -6.486 -1.320 -17.551 1.00 0.00 H new ATOM 1377 N GLY A 87 -5.059 5.524 -20.922 1.00 0.00 N ATOM 1378 CA GLY A 87 -5.025 5.585 -22.410 1.00 0.00 C ATOM 1379 C GLY A 87 -3.590 5.473 -23.023 1.00 0.00 C ATOM 1380 O GLY A 87 -3.399 4.656 -23.928 1.00 0.00 O ATOM 0 H GLY A 87 -5.418 6.372 -20.484 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -5.643 4.781 -22.810 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -5.474 6.523 -22.735 1.00 0.00 H new ATOM 1384 N ASP A 88 -2.576 6.211 -22.496 1.00 0.00 N ATOM 1385 CA ASP A 88 -1.130 6.007 -22.852 1.00 0.00 C ATOM 1386 C ASP A 88 -0.665 4.534 -22.552 1.00 0.00 C ATOM 1387 O ASP A 88 -0.170 3.847 -23.447 1.00 0.00 O ATOM 1388 CB ASP A 88 -0.150 6.892 -22.028 1.00 0.00 C ATOM 1389 CG ASP A 88 -0.561 8.361 -21.974 1.00 0.00 C ATOM 1390 OD1 ASP A 88 -0.809 8.958 -23.051 1.00 0.00 O ATOM 1391 OD2 ASP A 88 -0.650 8.896 -20.832 1.00 0.00 O ATOM 0 H ASP A 88 -2.727 6.959 -21.819 1.00 0.00 H new ATOM 0 HA ASP A 88 -1.089 6.263 -23.911 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -0.087 6.502 -21.012 1.00 0.00 H new ATOM 0 HB3 ASP A 88 0.848 6.817 -22.461 1.00 0.00 H new ATOM 1396 N PHE A 89 -0.887 4.054 -21.308 1.00 0.00 N ATOM 1397 CA PHE A 89 -0.563 2.670 -20.853 1.00 0.00 C ATOM 1398 C PHE A 89 -1.154 1.504 -21.717 1.00 0.00 C ATOM 1399 O PHE A 89 -0.413 0.604 -22.120 1.00 0.00 O ATOM 1400 CB PHE A 89 -1.014 2.512 -19.373 1.00 0.00 C ATOM 1401 CG PHE A 89 -0.222 1.514 -18.561 1.00 0.00 C ATOM 1402 CD1 PHE A 89 1.186 1.528 -18.528 1.00 0.00 C ATOM 1403 CD2 PHE A 89 -0.900 0.632 -17.704 1.00 0.00 C ATOM 1404 CE1 PHE A 89 1.891 0.695 -17.651 1.00 0.00 C ATOM 1405 CE2 PHE A 89 -0.199 -0.213 -16.835 1.00 0.00 C ATOM 1406 CZ PHE A 89 1.199 -0.175 -16.801 1.00 0.00 C ATOM 0 H PHE A 89 -1.305 4.624 -20.572 1.00 0.00 H new ATOM 0 HA PHE A 89 0.516 2.570 -20.969 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.951 3.485 -18.885 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -2.063 2.216 -19.359 1.00 0.00 H new ATOM 0 HD1 PHE A 89 1.728 2.189 -19.187 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.980 0.605 -17.715 1.00 0.00 H new ATOM 0 HE1 PHE A 89 2.970 0.724 -17.630 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.737 -0.893 -16.192 1.00 0.00 H new ATOM 0 HZ PHE A 89 1.742 -0.815 -16.121 1.00 0.00 H new ATOM 1416 N LEU A 90 -2.472 1.535 -21.995 1.00 0.00 N ATOM 1417 CA LEU A 90 -3.157 0.512 -22.850 1.00 0.00 C ATOM 1418 C LEU A 90 -2.667 0.541 -24.340 1.00 0.00 C ATOM 1419 O LEU A 90 -2.293 -0.515 -24.855 1.00 0.00 O ATOM 1420 CB LEU A 90 -4.687 0.735 -22.926 1.00 0.00 C ATOM 1421 CG LEU A 90 -5.470 0.367 -21.646 1.00 0.00 C ATOM 1422 CD1 LEU A 90 -6.879 0.990 -21.688 1.00 0.00 C ATOM 1423 CD2 LEU A 90 -5.551 -1.157 -21.434 1.00 0.00 C ATOM 0 H LEU A 90 -3.099 2.259 -21.642 1.00 0.00 H new ATOM 0 HA LEU A 90 -2.912 -0.435 -22.370 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -4.874 1.783 -23.158 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -5.083 0.149 -23.756 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.925 0.777 -20.796 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.422 0.724 -20.781 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -6.795 2.075 -21.756 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -7.418 0.613 -22.557 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -6.110 -1.368 -20.523 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -6.056 -1.616 -22.284 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.545 -1.566 -21.345 1.00 0.00 H new ATOM 1435 N THR A 91 -2.651 1.712 -25.020 1.00 0.00 N ATOM 1436 CA THR A 91 -2.172 1.818 -26.435 1.00 0.00 C ATOM 1437 C THR A 91 -0.653 1.489 -26.619 1.00 0.00 C ATOM 1438 O THR A 91 -0.313 0.739 -27.538 1.00 0.00 O ATOM 1439 CB THR A 91 -2.487 3.161 -27.083 1.00 0.00 C ATOM 1440 OG1 THR A 91 -1.894 4.245 -26.376 1.00 0.00 O ATOM 1441 CG2 THR A 91 -4.020 3.344 -27.112 1.00 0.00 C ATOM 0 H THR A 91 -2.961 2.598 -24.621 1.00 0.00 H new ATOM 0 HA THR A 91 -2.743 1.047 -26.952 1.00 0.00 H new ATOM 0 HB THR A 91 -2.074 3.162 -28.092 1.00 0.00 H new ATOM 0 HG1 THR A 91 -2.388 4.403 -25.545 1.00 0.00 H new ATOM 0 HG21 THR A 91 -4.264 4.301 -27.573 1.00 0.00 H new ATOM 0 HG22 THR A 91 -4.472 2.538 -27.690 1.00 0.00 H new ATOM 0 HG23 THR A 91 -4.408 3.323 -26.094 1.00 0.00 H new ATOM 1449 N VAL A 92 0.255 2.042 -25.787 1.00 0.00 N ATOM 1450 CA VAL A 92 1.720 1.757 -25.891 1.00 0.00 C ATOM 1451 C VAL A 92 2.116 0.276 -25.549 1.00 0.00 C ATOM 1452 O VAL A 92 2.859 -0.325 -26.331 1.00 0.00 O ATOM 1453 CB VAL A 92 2.598 2.807 -25.216 1.00 0.00 C ATOM 1454 CG1 VAL A 92 2.811 2.550 -23.711 1.00 0.00 C ATOM 1455 CG2 VAL A 92 3.932 2.911 -25.983 1.00 0.00 C ATOM 0 H VAL A 92 0.010 2.687 -25.036 1.00 0.00 H new ATOM 0 HA VAL A 92 1.941 1.851 -26.954 1.00 0.00 H new ATOM 0 HB VAL A 92 2.078 3.764 -25.261 1.00 0.00 H new ATOM 0 HG11 VAL A 92 3.444 3.333 -23.294 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.847 2.552 -23.202 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.293 1.582 -23.572 1.00 0.00 H new ATOM 0 HG21 VAL A 92 4.567 3.659 -25.509 1.00 0.00 H new ATOM 0 HG22 VAL A 92 4.436 1.945 -25.968 1.00 0.00 H new ATOM 0 HG23 VAL A 92 3.737 3.203 -27.015 1.00 0.00 H new ATOM 1465 N MET A 93 1.613 -0.326 -24.446 1.00 0.00 N ATOM 1466 CA MET A 93 1.816 -1.786 -24.169 1.00 0.00 C ATOM 1467 C MET A 93 1.207 -2.749 -25.247 1.00 0.00 C ATOM 1468 O MET A 93 1.898 -3.699 -25.617 1.00 0.00 O ATOM 1469 CB MET A 93 1.321 -2.234 -22.771 1.00 0.00 C ATOM 1470 CG MET A 93 2.324 -1.945 -21.630 1.00 0.00 C ATOM 1471 SD MET A 93 2.712 -0.192 -21.321 1.00 0.00 S ATOM 1472 CE MET A 93 4.112 -0.489 -20.205 1.00 0.00 C ATOM 0 H MET A 93 1.068 0.162 -23.735 1.00 0.00 H new ATOM 0 HA MET A 93 2.902 -1.877 -24.208 1.00 0.00 H new ATOM 0 HB2 MET A 93 0.380 -1.730 -22.551 1.00 0.00 H new ATOM 0 HB3 MET A 93 1.112 -3.303 -22.796 1.00 0.00 H new ATOM 0 HG2 MET A 93 1.929 -2.375 -20.710 1.00 0.00 H new ATOM 0 HG3 MET A 93 3.255 -2.467 -21.852 1.00 0.00 H new ATOM 0 HE1 MET A 93 4.633 0.450 -20.018 1.00 0.00 H new ATOM 0 HE2 MET A 93 3.746 -0.895 -19.262 1.00 0.00 H new ATOM 0 HE3 MET A 93 4.799 -1.200 -20.664 1.00 0.00 H new ATOM 1482 N THR A 94 -0.015 -2.530 -25.786 1.00 0.00 N ATOM 1483 CA THR A 94 -0.525 -3.313 -26.961 1.00 0.00 C ATOM 1484 C THR A 94 0.364 -3.154 -28.248 1.00 0.00 C ATOM 1485 O THR A 94 0.879 -4.166 -28.730 1.00 0.00 O ATOM 1486 CB THR A 94 -1.949 -2.927 -27.356 1.00 0.00 C ATOM 1487 OG1 THR A 94 -2.788 -2.825 -26.213 1.00 0.00 O ATOM 1488 CG2 THR A 94 -2.539 -3.999 -28.299 1.00 0.00 C ATOM 0 H THR A 94 -0.668 -1.828 -25.438 1.00 0.00 H new ATOM 0 HA THR A 94 -0.493 -4.346 -26.614 1.00 0.00 H new ATOM 0 HB THR A 94 -1.905 -1.960 -27.856 1.00 0.00 H new ATOM 0 HG1 THR A 94 -2.710 -1.927 -25.829 1.00 0.00 H new ATOM 0 HG21 THR A 94 -3.555 -3.719 -28.578 1.00 0.00 H new ATOM 0 HG22 THR A 94 -1.924 -4.073 -29.196 1.00 0.00 H new ATOM 0 HG23 THR A 94 -2.555 -4.963 -27.790 1.00 0.00 H new ATOM 1496 N GLN A 95 0.576 -1.917 -28.763 1.00 0.00 N ATOM 1497 CA GLN A 95 1.444 -1.647 -29.945 1.00 0.00 C ATOM 1498 C GLN A 95 2.930 -2.150 -29.868 1.00 0.00 C ATOM 1499 O GLN A 95 3.429 -2.670 -30.869 1.00 0.00 O ATOM 1500 CB GLN A 95 1.498 -0.119 -30.207 1.00 0.00 C ATOM 1501 CG GLN A 95 2.155 0.292 -31.539 1.00 0.00 C ATOM 1502 CD GLN A 95 2.142 1.820 -31.665 1.00 0.00 C ATOM 1503 OE1 GLN A 95 1.715 2.536 -30.755 1.00 0.00 O ATOM 1504 NE2 GLN A 95 2.633 2.323 -32.837 1.00 0.00 N ATOM 0 H GLN A 95 0.151 -1.076 -28.373 1.00 0.00 H new ATOM 0 HA GLN A 95 0.971 -2.220 -30.742 1.00 0.00 H new ATOM 0 HB2 GLN A 95 0.482 0.274 -30.184 1.00 0.00 H new ATOM 0 HB3 GLN A 95 2.042 0.355 -29.390 1.00 0.00 H new ATOM 0 HG2 GLN A 95 3.179 -0.078 -31.581 1.00 0.00 H new ATOM 0 HG3 GLN A 95 1.619 -0.157 -32.375 1.00 0.00 H new ATOM 0 HE21 GLN A 95 2.975 1.690 -33.560 1.00 0.00 H new ATOM 0 HE22 GLN A 95 2.658 3.331 -32.989 1.00 0.00 H new ATOM 1513 N LYS A 96 3.636 -1.986 -28.734 1.00 0.00 N ATOM 1514 CA LYS A 96 5.018 -2.527 -28.567 1.00 0.00 C ATOM 1515 C LYS A 96 5.098 -4.068 -28.281 1.00 0.00 C ATOM 1516 O LYS A 96 5.889 -4.737 -28.954 1.00 0.00 O ATOM 1517 CB LYS A 96 5.830 -1.766 -27.495 1.00 0.00 C ATOM 1518 CG LYS A 96 5.911 -0.244 -27.740 1.00 0.00 C ATOM 1519 CD LYS A 96 6.445 0.201 -29.119 1.00 0.00 C ATOM 1520 CE LYS A 96 7.889 -0.224 -29.427 1.00 0.00 C ATOM 1521 NZ LYS A 96 8.833 0.406 -28.483 1.00 0.00 N ATOM 0 H LYS A 96 3.283 -1.487 -27.917 1.00 0.00 H new ATOM 0 HA LYS A 96 5.466 -2.364 -29.547 1.00 0.00 H new ATOM 0 HB2 LYS A 96 5.381 -1.944 -26.518 1.00 0.00 H new ATOM 0 HB3 LYS A 96 6.840 -2.173 -27.460 1.00 0.00 H new ATOM 0 HG2 LYS A 96 4.914 0.177 -27.607 1.00 0.00 H new ATOM 0 HG3 LYS A 96 6.547 0.193 -26.970 1.00 0.00 H new ATOM 0 HD2 LYS A 96 5.791 -0.203 -29.892 1.00 0.00 H new ATOM 0 HD3 LYS A 96 6.381 1.287 -29.183 1.00 0.00 H new ATOM 0 HE2 LYS A 96 7.975 -1.309 -29.365 1.00 0.00 H new ATOM 0 HE3 LYS A 96 8.146 0.058 -30.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 9.794 0.053 -28.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 8.813 1.438 -28.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 8.558 0.171 -27.508 1.00 0.00 H new ATOM 1535 N MET A 97 4.337 -4.639 -27.324 1.00 0.00 N ATOM 1536 CA MET A 97 4.428 -6.096 -26.985 1.00 0.00 C ATOM 1537 C MET A 97 3.673 -7.062 -27.969 1.00 0.00 C ATOM 1538 O MET A 97 4.296 -8.028 -28.418 1.00 0.00 O ATOM 1539 CB MET A 97 3.844 -6.393 -25.580 1.00 0.00 C ATOM 1540 CG MET A 97 4.571 -5.684 -24.420 1.00 0.00 C ATOM 1541 SD MET A 97 6.207 -6.384 -24.033 1.00 0.00 S ATOM 1542 CE MET A 97 6.550 -5.316 -22.603 1.00 0.00 C ATOM 0 H MET A 97 3.653 -4.126 -26.768 1.00 0.00 H new ATOM 0 HA MET A 97 5.499 -6.290 -27.048 1.00 0.00 H new ATOM 0 HB2 MET A 97 2.795 -6.099 -25.568 1.00 0.00 H new ATOM 0 HB3 MET A 97 3.876 -7.469 -25.408 1.00 0.00 H new ATOM 0 HG2 MET A 97 4.688 -4.629 -24.669 1.00 0.00 H new ATOM 0 HG3 MET A 97 3.946 -5.734 -23.529 1.00 0.00 H new ATOM 0 HE1 MET A 97 7.526 -5.567 -22.187 1.00 0.00 H new ATOM 0 HE2 MET A 97 6.548 -4.273 -22.919 1.00 0.00 H new ATOM 0 HE3 MET A 97 5.783 -5.467 -21.844 1.00 0.00 H new ATOM 1552 N SER A 98 2.352 -6.898 -28.210 1.00 0.00 N ATOM 1553 CA SER A 98 1.540 -7.889 -28.972 1.00 0.00 C ATOM 1554 C SER A 98 1.664 -7.791 -30.522 1.00 0.00 C ATOM 1555 O SER A 98 1.281 -6.730 -31.077 1.00 0.00 O ATOM 1556 CB SER A 98 0.062 -7.764 -28.594 1.00 0.00 C ATOM 1557 OG SER A 98 -0.084 -7.792 -27.178 1.00 0.00 O ATOM 1558 OXT SER A 98 2.113 -8.788 -31.145 1.00 0.00 O ATOM 0 H SER A 98 1.820 -6.089 -27.889 1.00 0.00 H new ATOM 0 HA SER A 98 1.949 -8.859 -28.688 1.00 0.00 H new ATOM 0 HB2 SER A 98 -0.346 -6.835 -28.991 1.00 0.00 H new ATOM 0 HB3 SER A 98 -0.506 -8.579 -29.042 1.00 0.00 H new ATOM 0 HG SER A 98 -1.032 -7.710 -26.945 1.00 0.00 H new