USER MOD reduce.3.24.130724 H: found=0, std=0, add=532, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 531 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 43 HIS : no HE2:sc= -5.02! C(o=-10!,f=-16!) USER MOD Set 1.2: A 47 LYS NZ :NH3+ 164:sc= -5.12! (180deg=-0.676) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0.0602 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= -0.545 USER MOD Single : A 53 SER OG : rot 82:sc= 1.29 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.184 K(o=-0.18,f=-0.94) USER MOD Single : A 59 TYR OH : rot 156:sc= 1.04 USER MOD Single : A 61 ASN : amide:sc= -0.155 X(o=-0.16,f=-0.32) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.181 K(o=-0.18,f=-1.1) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 LYS NZ :NH3+ -142:sc= -0.789! (180deg=-3.14!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 155:sc= -3.1 (180deg=-5.05!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot -97:sc= 0.52 USER MOD ----------------------------------------------------------------- ATOM 402 N ASP A 30 7.930 -12.565 -4.773 1.00 0.00 N ATOM 403 CA ASP A 30 8.253 -11.130 -5.000 1.00 0.00 C ATOM 404 C ASP A 30 7.015 -10.282 -4.698 1.00 0.00 C ATOM 405 O ASP A 30 6.675 -9.377 -5.433 1.00 0.00 O ATOM 406 CB ASP A 30 8.696 -10.920 -6.454 1.00 0.00 C ATOM 407 CG ASP A 30 7.576 -11.323 -7.417 1.00 0.00 C ATOM 408 OD1 ASP A 30 6.465 -11.528 -6.957 1.00 0.00 O ATOM 409 OD2 ASP A 30 7.851 -11.422 -8.602 1.00 0.00 O ATOM 0 HA ASP A 30 9.067 -10.828 -4.340 1.00 0.00 H new ATOM 0 HB2 ASP A 30 8.962 -9.875 -6.612 1.00 0.00 H new ATOM 0 HB3 ASP A 30 9.589 -11.511 -6.658 1.00 0.00 H new ATOM 414 N VAL A 31 6.333 -10.577 -3.615 1.00 0.00 N ATOM 415 CA VAL A 31 5.100 -9.803 -3.246 1.00 0.00 C ATOM 416 C VAL A 31 5.264 -9.204 -1.848 1.00 0.00 C ATOM 417 O VAL A 31 5.719 -9.852 -0.926 1.00 0.00 O ATOM 418 CB VAL A 31 3.881 -10.730 -3.267 1.00 0.00 C ATOM 419 CG1 VAL A 31 2.678 -10.021 -2.631 1.00 0.00 C ATOM 420 CG2 VAL A 31 3.555 -11.085 -4.717 1.00 0.00 C ATOM 0 H VAL A 31 6.578 -11.325 -2.966 1.00 0.00 H new ATOM 0 HA VAL A 31 4.954 -8.999 -3.968 1.00 0.00 H new ATOM 0 HB VAL A 31 4.100 -11.636 -2.702 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.814 -10.685 -2.648 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.914 -9.759 -1.600 1.00 0.00 H new ATOM 0 HG13 VAL A 31 2.451 -9.115 -3.193 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.688 -11.745 -4.744 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.335 -10.174 -5.274 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.409 -11.589 -5.169 1.00 0.00 H new ATOM 430 N ALA A 32 4.887 -7.961 -1.696 1.00 0.00 N ATOM 431 CA ALA A 32 5.003 -7.274 -0.372 1.00 0.00 C ATOM 432 C ALA A 32 3.610 -6.961 0.166 1.00 0.00 C ATOM 433 O ALA A 32 2.668 -6.785 -0.580 1.00 0.00 O ATOM 434 CB ALA A 32 5.785 -5.971 -0.551 1.00 0.00 C ATOM 0 H ALA A 32 4.498 -7.384 -2.442 1.00 0.00 H new ATOM 0 HA ALA A 32 5.523 -7.923 0.333 1.00 0.00 H new ATOM 0 HB1 ALA A 32 5.873 -5.465 0.410 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.780 -6.194 -0.937 1.00 0.00 H new ATOM 0 HB3 ALA A 32 5.260 -5.325 -1.254 1.00 0.00 H new ATOM 440 N GLU A 33 3.478 -6.904 1.465 1.00 0.00 N ATOM 441 CA GLU A 33 2.151 -6.619 2.095 1.00 0.00 C ATOM 442 C GLU A 33 2.147 -5.221 2.711 1.00 0.00 C ATOM 443 O GLU A 33 3.146 -4.747 3.218 1.00 0.00 O ATOM 444 CB GLU A 33 1.880 -7.654 3.185 1.00 0.00 C ATOM 445 CG GLU A 33 0.480 -7.425 3.759 1.00 0.00 C ATOM 446 CD GLU A 33 0.157 -8.511 4.786 1.00 0.00 C ATOM 447 OE1 GLU A 33 0.279 -9.676 4.446 1.00 0.00 O ATOM 448 OE2 GLU A 33 -0.213 -8.158 5.893 1.00 0.00 O ATOM 0 H GLU A 33 4.242 -7.044 2.126 1.00 0.00 H new ATOM 0 HA GLU A 33 1.375 -6.671 1.331 1.00 0.00 H new ATOM 0 HB2 GLU A 33 1.958 -8.661 2.775 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.627 -7.573 3.974 1.00 0.00 H new ATOM 0 HG2 GLU A 33 0.425 -6.442 4.226 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -0.258 -7.439 2.957 1.00 0.00 H new ATOM 455 N VAL A 34 1.018 -4.560 2.668 1.00 0.00 N ATOM 456 CA VAL A 34 0.907 -3.183 3.244 1.00 0.00 C ATOM 457 C VAL A 34 -0.229 -3.150 4.270 1.00 0.00 C ATOM 458 O VAL A 34 -1.330 -3.608 4.016 1.00 0.00 O ATOM 459 CB VAL A 34 0.603 -2.187 2.121 1.00 0.00 C ATOM 460 CG1 VAL A 34 0.234 -0.825 2.723 1.00 0.00 C ATOM 461 CG2 VAL A 34 1.838 -2.032 1.232 1.00 0.00 C ATOM 0 H VAL A 34 0.158 -4.919 2.254 1.00 0.00 H new ATOM 0 HA VAL A 34 1.845 -2.914 3.729 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.233 -2.557 1.527 1.00 0.00 H new ATOM 0 HG11 VAL A 34 0.018 -0.119 1.921 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.646 -0.934 3.357 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.067 -0.453 3.319 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.624 -1.323 0.432 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.672 -1.664 1.829 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.099 -2.998 0.801 1.00 0.00 H new ATOM 471 N SER A 35 0.036 -2.600 5.424 1.00 0.00 N ATOM 472 CA SER A 35 -1.006 -2.507 6.493 1.00 0.00 C ATOM 473 C SER A 35 -1.451 -1.058 6.636 1.00 0.00 C ATOM 474 O SER A 35 -0.654 -0.177 6.903 1.00 0.00 O ATOM 475 CB SER A 35 -0.418 -2.983 7.817 1.00 0.00 C ATOM 476 OG SER A 35 -0.202 -4.384 7.751 1.00 0.00 O ATOM 0 H SER A 35 0.942 -2.205 5.677 1.00 0.00 H new ATOM 0 HA SER A 35 -1.859 -3.131 6.226 1.00 0.00 H new ATOM 0 HB2 SER A 35 0.520 -2.467 8.019 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.096 -2.745 8.637 1.00 0.00 H new ATOM 0 HG SER A 35 0.178 -4.697 8.599 1.00 0.00 H new ATOM 482 N LEU A 36 -2.722 -0.805 6.461 1.00 0.00 N ATOM 483 CA LEU A 36 -3.250 0.588 6.585 1.00 0.00 C ATOM 484 C LEU A 36 -4.332 0.633 7.660 1.00 0.00 C ATOM 485 O LEU A 36 -5.195 -0.220 7.731 1.00 0.00 O ATOM 486 CB LEU A 36 -3.839 1.048 5.249 1.00 0.00 C ATOM 487 CG LEU A 36 -4.277 2.520 5.354 1.00 0.00 C ATOM 488 CD1 LEU A 36 -3.057 3.424 5.626 1.00 0.00 C ATOM 489 CD2 LEU A 36 -4.956 2.943 4.048 1.00 0.00 C ATOM 0 H LEU A 36 -3.424 -1.510 6.235 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.432 1.253 6.862 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.100 0.934 4.456 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.691 0.423 4.982 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.979 2.624 6.181 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.382 4.462 5.698 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.585 3.126 6.562 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.341 3.324 4.810 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.267 3.985 4.121 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.256 2.830 3.221 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.830 2.315 3.872 1.00 0.00 H new ATOM 501 N PHE A 37 -4.282 1.634 8.497 1.00 0.00 N ATOM 502 CA PHE A 37 -5.286 1.781 9.593 1.00 0.00 C ATOM 503 C PHE A 37 -6.148 3.016 9.339 1.00 0.00 C ATOM 504 O PHE A 37 -5.665 4.059 8.942 1.00 0.00 O ATOM 505 CB PHE A 37 -4.558 1.939 10.925 1.00 0.00 C ATOM 506 CG PHE A 37 -5.569 2.170 12.023 1.00 0.00 C ATOM 507 CD1 PHE A 37 -6.369 1.110 12.468 1.00 0.00 C ATOM 508 CD2 PHE A 37 -5.712 3.442 12.593 1.00 0.00 C ATOM 509 CE1 PHE A 37 -7.308 1.321 13.483 1.00 0.00 C ATOM 510 CE2 PHE A 37 -6.651 3.652 13.608 1.00 0.00 C ATOM 511 CZ PHE A 37 -7.450 2.591 14.054 1.00 0.00 C ATOM 0 H PHE A 37 -3.576 2.369 8.468 1.00 0.00 H new ATOM 0 HA PHE A 37 -5.922 0.896 9.623 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -3.970 1.047 11.139 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -3.861 2.776 10.875 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -6.261 0.130 12.028 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -5.097 4.260 12.249 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -7.924 0.503 13.826 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -6.760 4.632 14.048 1.00 0.00 H new ATOM 0 HZ PHE A 37 -8.175 2.753 14.838 1.00 0.00 H new ATOM 521 N GLY A 38 -7.424 2.901 9.564 1.00 0.00 N ATOM 522 CA GLY A 38 -8.329 4.061 9.336 1.00 0.00 C ATOM 523 C GLY A 38 -9.712 3.772 9.918 1.00 0.00 C ATOM 524 O GLY A 38 -9.920 2.805 10.625 1.00 0.00 O ATOM 0 H GLY A 38 -7.882 2.052 9.897 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -7.911 4.955 9.799 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.411 4.264 8.268 1.00 0.00 H new ATOM 528 N SER A 39 -10.655 4.619 9.624 1.00 0.00 N ATOM 529 CA SER A 39 -12.039 4.434 10.146 1.00 0.00 C ATOM 530 C SER A 39 -12.805 3.439 9.267 1.00 0.00 C ATOM 531 O SER A 39 -12.549 2.252 9.278 1.00 0.00 O ATOM 532 CB SER A 39 -12.757 5.786 10.129 1.00 0.00 C ATOM 533 OG SER A 39 -12.652 6.354 8.829 1.00 0.00 O ATOM 0 H SER A 39 -10.526 5.443 9.037 1.00 0.00 H new ATOM 0 HA SER A 39 -11.995 4.044 11.163 1.00 0.00 H new ATOM 0 HB2 SER A 39 -13.805 5.658 10.400 1.00 0.00 H new ATOM 0 HB3 SER A 39 -12.316 6.455 10.868 1.00 0.00 H new ATOM 0 HG SER A 39 -13.112 7.219 8.812 1.00 0.00 H new ATOM 539 N ASP A 40 -13.756 3.919 8.511 1.00 0.00 N ATOM 540 CA ASP A 40 -14.556 3.009 7.638 1.00 0.00 C ATOM 541 C ASP A 40 -13.797 2.694 6.344 1.00 0.00 C ATOM 542 O ASP A 40 -12.733 3.222 6.080 1.00 0.00 O ATOM 543 CB ASP A 40 -15.889 3.674 7.290 1.00 0.00 C ATOM 544 CG ASP A 40 -16.802 3.677 8.517 1.00 0.00 C ATOM 545 OD1 ASP A 40 -16.502 2.960 9.457 1.00 0.00 O ATOM 546 OD2 ASP A 40 -17.788 4.395 8.494 1.00 0.00 O ATOM 0 H ASP A 40 -14.014 4.904 8.460 1.00 0.00 H new ATOM 0 HA ASP A 40 -14.733 2.079 8.178 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -15.718 4.695 6.950 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -16.369 3.141 6.469 1.00 0.00 H new ATOM 551 N LYS A 41 -14.350 1.828 5.539 1.00 0.00 N ATOM 552 CA LYS A 41 -13.692 1.450 4.255 1.00 0.00 C ATOM 553 C LYS A 41 -13.580 2.676 3.344 1.00 0.00 C ATOM 554 O LYS A 41 -12.575 2.897 2.696 1.00 0.00 O ATOM 555 CB LYS A 41 -14.544 0.389 3.554 1.00 0.00 C ATOM 556 CG LYS A 41 -13.814 -0.111 2.306 1.00 0.00 C ATOM 557 CD LYS A 41 -14.602 -1.262 1.671 1.00 0.00 C ATOM 558 CE LYS A 41 -13.850 -1.778 0.442 1.00 0.00 C ATOM 559 NZ LYS A 41 -14.596 -2.923 -0.155 1.00 0.00 N ATOM 0 H LYS A 41 -15.239 1.361 5.718 1.00 0.00 H new ATOM 0 HA LYS A 41 -12.695 1.061 4.462 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -14.738 -0.442 4.232 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -15.512 0.808 3.278 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -13.700 0.703 1.590 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -12.811 -0.447 2.570 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -14.736 -2.067 2.393 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -15.597 -0.921 1.385 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -13.741 -0.980 -0.292 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -12.845 -2.092 0.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -14.084 -3.273 -0.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -14.678 -3.687 0.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -15.546 -2.609 -0.438 1.00 0.00 H new ATOM 573 N ALA A 42 -14.610 3.468 3.288 1.00 0.00 N ATOM 574 CA ALA A 42 -14.587 4.678 2.415 1.00 0.00 C ATOM 575 C ALA A 42 -13.358 5.532 2.744 1.00 0.00 C ATOM 576 O ALA A 42 -12.644 5.984 1.869 1.00 0.00 O ATOM 577 CB ALA A 42 -15.851 5.501 2.679 1.00 0.00 C ATOM 0 H ALA A 42 -15.474 3.331 3.812 1.00 0.00 H new ATOM 0 HA ALA A 42 -14.545 4.373 1.369 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -15.846 6.389 2.046 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -16.731 4.899 2.452 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -15.877 5.802 3.726 1.00 0.00 H new ATOM 583 N HIS A 43 -13.109 5.754 4.000 1.00 0.00 N ATOM 584 CA HIS A 43 -11.929 6.573 4.406 1.00 0.00 C ATOM 585 C HIS A 43 -10.636 5.833 4.043 1.00 0.00 C ATOM 586 O HIS A 43 -9.683 6.411 3.556 1.00 0.00 O ATOM 587 CB HIS A 43 -11.976 6.795 5.918 1.00 0.00 C ATOM 588 CG HIS A 43 -10.838 7.686 6.327 1.00 0.00 C ATOM 589 ND1 HIS A 43 -10.848 9.049 6.084 1.00 0.00 N ATOM 590 CD2 HIS A 43 -9.648 7.426 6.961 1.00 0.00 C ATOM 591 CE1 HIS A 43 -9.700 9.555 6.564 1.00 0.00 C ATOM 592 NE2 HIS A 43 -8.931 8.608 7.109 1.00 0.00 N ATOM 0 H HIS A 43 -13.675 5.402 4.772 1.00 0.00 H new ATOM 0 HA HIS A 43 -11.953 7.531 3.887 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -12.926 7.248 6.201 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -11.910 5.840 6.439 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -11.592 9.574 5.624 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -9.319 6.452 7.294 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -9.431 10.600 6.515 1.00 0.00 H new ATOM 600 N LEU A 44 -10.599 4.553 4.290 1.00 0.00 N ATOM 601 CA LEU A 44 -9.378 3.750 3.970 1.00 0.00 C ATOM 602 C LEU A 44 -9.128 3.763 2.463 1.00 0.00 C ATOM 603 O LEU A 44 -8.008 3.874 2.004 1.00 0.00 O ATOM 604 CB LEU A 44 -9.598 2.304 4.426 1.00 0.00 C ATOM 605 CG LEU A 44 -9.549 2.213 5.961 1.00 0.00 C ATOM 606 CD1 LEU A 44 -10.237 0.922 6.421 1.00 0.00 C ATOM 607 CD2 LEU A 44 -8.088 2.197 6.447 1.00 0.00 C ATOM 0 H LEU A 44 -11.366 4.022 4.703 1.00 0.00 H new ATOM 0 HA LEU A 44 -8.518 4.181 4.483 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -10.561 1.944 4.065 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.834 1.659 3.992 1.00 0.00 H new ATOM 0 HG LEU A 44 -10.061 3.080 6.379 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -10.202 0.859 7.509 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -11.276 0.926 6.091 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -9.723 0.063 5.991 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -8.067 2.132 7.535 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.573 1.335 6.022 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.588 3.112 6.128 1.00 0.00 H new ATOM 619 N GLU A 45 -10.168 3.642 1.692 1.00 0.00 N ATOM 620 CA GLU A 45 -10.011 3.640 0.210 1.00 0.00 C ATOM 621 C GLU A 45 -9.433 4.983 -0.248 1.00 0.00 C ATOM 622 O GLU A 45 -8.617 5.054 -1.147 1.00 0.00 O ATOM 623 CB GLU A 45 -11.383 3.430 -0.437 1.00 0.00 C ATOM 624 CG GLU A 45 -11.850 1.986 -0.230 1.00 0.00 C ATOM 625 CD GLU A 45 -10.964 1.034 -1.038 1.00 0.00 C ATOM 626 OE1 GLU A 45 -10.181 1.520 -1.837 1.00 0.00 O ATOM 627 OE2 GLU A 45 -11.088 -0.164 -0.845 1.00 0.00 O ATOM 0 H GLU A 45 -11.127 3.544 2.024 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.335 2.838 -0.086 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -12.107 4.120 -0.003 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -11.329 3.653 -1.503 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -11.806 1.728 0.828 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -12.890 1.882 -0.541 1.00 0.00 H new ATOM 634 N GLY A 46 -9.855 6.051 0.371 1.00 0.00 N ATOM 635 CA GLY A 46 -9.341 7.398 -0.019 1.00 0.00 C ATOM 636 C GLY A 46 -7.822 7.435 0.154 1.00 0.00 C ATOM 637 O GLY A 46 -7.083 7.750 -0.760 1.00 0.00 O ATOM 0 H GLY A 46 -10.535 6.051 1.132 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -9.605 7.614 -1.054 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -9.806 8.168 0.596 1.00 0.00 H new ATOM 641 N LYS A 47 -7.354 7.098 1.320 1.00 0.00 N ATOM 642 CA LYS A 47 -5.883 7.084 1.573 1.00 0.00 C ATOM 643 C LYS A 47 -5.228 5.987 0.732 1.00 0.00 C ATOM 644 O LYS A 47 -4.134 6.141 0.226 1.00 0.00 O ATOM 645 CB LYS A 47 -5.625 6.816 3.060 1.00 0.00 C ATOM 646 CG LYS A 47 -5.973 8.063 3.877 1.00 0.00 C ATOM 647 CD LYS A 47 -5.707 7.796 5.362 1.00 0.00 C ATOM 648 CE LYS A 47 -5.896 9.090 6.159 1.00 0.00 C ATOM 649 NZ LYS A 47 -7.164 9.751 5.746 1.00 0.00 N ATOM 0 H LYS A 47 -7.930 6.829 2.118 1.00 0.00 H new ATOM 0 HA LYS A 47 -5.458 8.049 1.299 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -6.225 5.970 3.396 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.580 6.548 3.215 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.378 8.910 3.537 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -7.020 8.328 3.727 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.386 7.027 5.731 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.694 7.418 5.498 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.919 8.871 7.227 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.053 9.760 5.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -7.430 10.464 6.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.031 10.212 4.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.918 9.039 5.671 1.00 0.00 H new ATOM 663 N LEU A 48 -5.894 4.874 0.591 1.00 0.00 N ATOM 664 CA LEU A 48 -5.325 3.743 -0.202 1.00 0.00 C ATOM 665 C LEU A 48 -4.889 4.247 -1.578 1.00 0.00 C ATOM 666 O LEU A 48 -3.926 3.779 -2.153 1.00 0.00 O ATOM 667 CB LEU A 48 -6.397 2.660 -0.381 1.00 0.00 C ATOM 668 CG LEU A 48 -5.799 1.436 -1.095 1.00 0.00 C ATOM 669 CD1 LEU A 48 -4.689 0.806 -0.231 1.00 0.00 C ATOM 670 CD2 LEU A 48 -6.907 0.405 -1.351 1.00 0.00 C ATOM 0 H LEU A 48 -6.814 4.697 0.993 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.464 3.330 0.324 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.793 2.366 0.591 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.232 3.056 -0.959 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.367 1.751 -2.045 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.273 -0.060 -0.747 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.901 1.539 -0.060 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.107 0.492 0.726 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.486 -0.464 -1.857 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.343 0.096 -0.401 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.680 0.850 -1.977 1.00 0.00 H new ATOM 682 N ALA A 49 -5.601 5.194 -2.112 1.00 0.00 N ATOM 683 CA ALA A 49 -5.247 5.737 -3.455 1.00 0.00 C ATOM 684 C ALA A 49 -3.800 6.243 -3.441 1.00 0.00 C ATOM 685 O ALA A 49 -3.086 6.158 -4.421 1.00 0.00 O ATOM 686 CB ALA A 49 -6.186 6.903 -3.777 1.00 0.00 C ATOM 0 H ALA A 49 -6.419 5.620 -1.676 1.00 0.00 H new ATOM 0 HA ALA A 49 -5.347 4.955 -4.207 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.938 7.310 -4.757 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.217 6.549 -3.781 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.072 7.681 -3.022 1.00 0.00 H new ATOM 692 N GLU A 50 -3.368 6.775 -2.335 1.00 0.00 N ATOM 693 CA GLU A 50 -1.970 7.295 -2.237 1.00 0.00 C ATOM 694 C GLU A 50 -0.971 6.135 -2.339 1.00 0.00 C ATOM 695 O GLU A 50 0.039 6.222 -3.009 1.00 0.00 O ATOM 696 CB GLU A 50 -1.795 7.985 -0.881 1.00 0.00 C ATOM 697 CG GLU A 50 -2.705 9.212 -0.796 1.00 0.00 C ATOM 698 CD GLU A 50 -2.260 10.255 -1.822 1.00 0.00 C ATOM 699 OE1 GLU A 50 -1.115 10.196 -2.237 1.00 0.00 O ATOM 700 OE2 GLU A 50 -3.071 11.096 -2.171 1.00 0.00 O ATOM 0 H GLU A 50 -3.924 6.875 -1.486 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.787 7.999 -3.049 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.033 7.289 -0.076 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -0.755 8.283 -0.747 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -3.739 8.923 -0.982 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.668 9.636 0.208 1.00 0.00 H new ATOM 707 N TYR A 51 -1.249 5.051 -1.669 1.00 0.00 N ATOM 708 CA TYR A 51 -0.325 3.876 -1.709 1.00 0.00 C ATOM 709 C TYR A 51 -0.259 3.313 -3.134 1.00 0.00 C ATOM 710 O TYR A 51 0.797 2.998 -3.647 1.00 0.00 O ATOM 711 CB TYR A 51 -0.857 2.794 -0.767 1.00 0.00 C ATOM 712 CG TYR A 51 -0.753 3.264 0.666 1.00 0.00 C ATOM 713 CD1 TYR A 51 -1.693 4.164 1.178 1.00 0.00 C ATOM 714 CD2 TYR A 51 0.288 2.805 1.480 1.00 0.00 C ATOM 715 CE1 TYR A 51 -1.596 4.603 2.503 1.00 0.00 C ATOM 716 CE2 TYR A 51 0.387 3.245 2.806 1.00 0.00 C ATOM 717 CZ TYR A 51 -0.555 4.143 3.318 1.00 0.00 C ATOM 718 OH TYR A 51 -0.455 4.578 4.624 1.00 0.00 O ATOM 0 H TYR A 51 -2.080 4.925 -1.092 1.00 0.00 H new ATOM 0 HA TYR A 51 0.672 4.188 -1.399 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -1.895 2.566 -1.010 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -0.289 1.873 -0.899 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -2.495 4.521 0.549 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.016 2.111 1.086 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -2.324 5.297 2.897 1.00 0.00 H new ATOM 0 HE2 TYR A 51 1.191 2.891 3.434 1.00 0.00 H new ATOM 0 HH TYR A 51 0.323 4.161 5.049 1.00 0.00 H new ATOM 728 N ILE A 52 -1.387 3.181 -3.772 1.00 0.00 N ATOM 729 CA ILE A 52 -1.412 2.640 -5.164 1.00 0.00 C ATOM 730 C ILE A 52 -0.692 3.609 -6.107 1.00 0.00 C ATOM 731 O ILE A 52 0.079 3.214 -6.960 1.00 0.00 O ATOM 732 CB ILE A 52 -2.870 2.472 -5.614 1.00 0.00 C ATOM 733 CG1 ILE A 52 -3.533 1.362 -4.794 1.00 0.00 C ATOM 734 CG2 ILE A 52 -2.914 2.104 -7.100 1.00 0.00 C ATOM 735 CD1 ILE A 52 -5.045 1.370 -5.040 1.00 0.00 C ATOM 0 H ILE A 52 -2.300 3.425 -3.389 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.907 1.674 -5.189 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.404 3.409 -5.459 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.115 0.394 -5.070 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -3.327 1.507 -3.734 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.951 1.986 -7.415 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.445 2.895 -7.685 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.378 1.169 -7.259 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -5.513 0.579 -4.455 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.457 2.334 -4.742 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -5.242 1.203 -6.099 1.00 0.00 H new ATOM 747 N SER A 53 -0.950 4.879 -5.963 1.00 0.00 N ATOM 748 CA SER A 53 -0.294 5.891 -6.843 1.00 0.00 C ATOM 749 C SER A 53 1.222 5.845 -6.642 1.00 0.00 C ATOM 750 O SER A 53 1.993 5.936 -7.578 1.00 0.00 O ATOM 751 CB SER A 53 -0.814 7.284 -6.483 1.00 0.00 C ATOM 752 OG SER A 53 -2.218 7.331 -6.695 1.00 0.00 O ATOM 0 H SER A 53 -1.591 5.264 -5.269 1.00 0.00 H new ATOM 0 HA SER A 53 -0.525 5.670 -7.885 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.584 7.513 -5.442 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.317 8.039 -7.093 1.00 0.00 H new ATOM 0 HG SER A 53 -2.679 6.942 -5.923 1.00 0.00 H new ATOM 758 N LEU A 54 1.655 5.709 -5.420 1.00 0.00 N ATOM 759 CA LEU A 54 3.119 5.656 -5.142 1.00 0.00 C ATOM 760 C LEU A 54 3.724 4.415 -5.804 1.00 0.00 C ATOM 761 O LEU A 54 4.807 4.450 -6.357 1.00 0.00 O ATOM 762 CB LEU A 54 3.347 5.582 -3.625 1.00 0.00 C ATOM 763 CG LEU A 54 4.847 5.430 -3.315 1.00 0.00 C ATOM 764 CD1 LEU A 54 5.635 6.586 -3.953 1.00 0.00 C ATOM 765 CD2 LEU A 54 5.060 5.440 -1.795 1.00 0.00 C ATOM 0 H LEU A 54 1.056 5.632 -4.598 1.00 0.00 H new ATOM 0 HA LEU A 54 3.595 6.551 -5.543 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.960 6.483 -3.148 1.00 0.00 H new ATOM 0 HB3 LEU A 54 2.796 4.739 -3.209 1.00 0.00 H new ATOM 0 HG LEU A 54 5.203 4.486 -3.727 1.00 0.00 H new ATOM 0 HD11 LEU A 54 6.695 6.471 -3.729 1.00 0.00 H new ATOM 0 HD12 LEU A 54 5.489 6.573 -5.033 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.280 7.534 -3.550 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.122 5.332 -1.576 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.698 6.382 -1.383 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.511 4.613 -1.345 1.00 0.00 H new ATOM 777 N ALA A 55 3.033 3.314 -5.736 1.00 0.00 N ATOM 778 CA ALA A 55 3.556 2.056 -6.342 1.00 0.00 C ATOM 779 C ALA A 55 3.762 2.263 -7.844 1.00 0.00 C ATOM 780 O ALA A 55 4.736 1.820 -8.421 1.00 0.00 O ATOM 781 CB ALA A 55 2.534 0.937 -6.122 1.00 0.00 C ATOM 0 H ALA A 55 2.122 3.229 -5.284 1.00 0.00 H new ATOM 0 HA ALA A 55 4.506 1.789 -5.878 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.907 0.012 -6.562 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.377 0.793 -5.053 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.590 1.208 -6.594 1.00 0.00 H new ATOM 787 N LYS A 56 2.848 2.940 -8.476 1.00 0.00 N ATOM 788 CA LYS A 56 2.975 3.196 -9.939 1.00 0.00 C ATOM 789 C LYS A 56 4.190 4.089 -10.199 1.00 0.00 C ATOM 790 O LYS A 56 4.935 3.894 -11.139 1.00 0.00 O ATOM 791 CB LYS A 56 1.718 3.909 -10.440 1.00 0.00 C ATOM 792 CG LYS A 56 0.525 2.953 -10.397 1.00 0.00 C ATOM 793 CD LYS A 56 -0.726 3.676 -10.907 1.00 0.00 C ATOM 794 CE LYS A 56 -1.919 2.717 -10.888 1.00 0.00 C ATOM 795 NZ LYS A 56 -3.136 3.427 -11.374 1.00 0.00 N ATOM 0 H LYS A 56 2.012 3.330 -8.041 1.00 0.00 H new ATOM 0 HA LYS A 56 3.097 2.247 -10.462 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.516 4.785 -9.823 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.873 4.265 -11.458 1.00 0.00 H new ATOM 0 HG2 LYS A 56 0.726 2.075 -11.011 1.00 0.00 H new ATOM 0 HG3 LYS A 56 0.364 2.600 -9.378 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.935 4.545 -10.283 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -0.558 4.043 -11.919 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -1.714 1.852 -11.519 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -2.082 2.343 -9.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -3.946 2.775 -11.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -3.335 4.239 -10.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -2.977 3.763 -12.345 1.00 0.00 H new ATOM 809 N GLN A 57 4.383 5.081 -9.376 1.00 0.00 N ATOM 810 CA GLN A 57 5.539 6.006 -9.570 1.00 0.00 C ATOM 811 C GLN A 57 6.853 5.247 -9.372 1.00 0.00 C ATOM 812 O GLN A 57 7.779 5.366 -10.150 1.00 0.00 O ATOM 813 CB GLN A 57 5.457 7.139 -8.541 1.00 0.00 C ATOM 814 CG GLN A 57 6.562 8.169 -8.802 1.00 0.00 C ATOM 815 CD GLN A 57 6.321 8.842 -10.155 1.00 0.00 C ATOM 816 OE1 GLN A 57 5.194 9.119 -10.517 1.00 0.00 O ATOM 817 NE2 GLN A 57 7.338 9.115 -10.923 1.00 0.00 N ATOM 0 H GLN A 57 3.789 5.293 -8.574 1.00 0.00 H new ATOM 0 HA GLN A 57 5.505 6.414 -10.580 1.00 0.00 H new ATOM 0 HB2 GLN A 57 4.480 7.620 -8.595 1.00 0.00 H new ATOM 0 HB3 GLN A 57 5.557 6.734 -7.534 1.00 0.00 H new ATOM 0 HG2 GLN A 57 6.572 8.916 -8.009 1.00 0.00 H new ATOM 0 HG3 GLN A 57 7.537 7.682 -8.794 1.00 0.00 H new ATOM 0 HE21 GLN A 57 8.284 8.883 -10.619 1.00 0.00 H new ATOM 0 HE22 GLN A 57 7.188 9.561 -11.828 1.00 0.00 H new ATOM 826 N VAL A 58 6.942 4.469 -8.331 1.00 0.00 N ATOM 827 CA VAL A 58 8.193 3.700 -8.076 1.00 0.00 C ATOM 828 C VAL A 58 8.390 2.679 -9.196 1.00 0.00 C ATOM 829 O VAL A 58 9.478 2.500 -9.709 1.00 0.00 O ATOM 830 CB VAL A 58 8.085 2.968 -6.735 1.00 0.00 C ATOM 831 CG1 VAL A 58 9.318 2.085 -6.532 1.00 0.00 C ATOM 832 CG2 VAL A 58 8.000 3.990 -5.598 1.00 0.00 C ATOM 0 H VAL A 58 6.201 4.331 -7.643 1.00 0.00 H new ATOM 0 HA VAL A 58 9.041 4.384 -8.045 1.00 0.00 H new ATOM 0 HB VAL A 58 7.189 2.348 -6.735 1.00 0.00 H new ATOM 0 HG11 VAL A 58 9.240 1.565 -5.577 1.00 0.00 H new ATOM 0 HG12 VAL A 58 9.380 1.355 -7.339 1.00 0.00 H new ATOM 0 HG13 VAL A 58 10.214 2.705 -6.535 1.00 0.00 H new ATOM 0 HG21 VAL A 58 7.923 3.468 -4.644 1.00 0.00 H new ATOM 0 HG22 VAL A 58 8.895 4.612 -5.600 1.00 0.00 H new ATOM 0 HG23 VAL A 58 7.121 4.619 -5.739 1.00 0.00 H new ATOM 842 N TYR A 59 7.340 2.003 -9.574 1.00 0.00 N ATOM 843 CA TYR A 59 7.444 0.980 -10.661 1.00 0.00 C ATOM 844 C TYR A 59 6.227 1.087 -11.583 1.00 0.00 C ATOM 845 O TYR A 59 5.097 0.901 -11.175 1.00 0.00 O ATOM 846 CB TYR A 59 7.516 -0.415 -10.034 1.00 0.00 C ATOM 847 CG TYR A 59 7.484 -1.470 -11.120 1.00 0.00 C ATOM 848 CD1 TYR A 59 8.493 -1.508 -12.090 1.00 0.00 C ATOM 849 CD2 TYR A 59 6.450 -2.415 -11.153 1.00 0.00 C ATOM 850 CE1 TYR A 59 8.468 -2.485 -13.090 1.00 0.00 C ATOM 851 CE2 TYR A 59 6.425 -3.394 -12.154 1.00 0.00 C ATOM 852 CZ TYR A 59 7.435 -3.427 -13.123 1.00 0.00 C ATOM 853 OH TYR A 59 7.413 -4.391 -14.111 1.00 0.00 O ATOM 0 H TYR A 59 6.407 2.114 -9.176 1.00 0.00 H new ATOM 0 HA TYR A 59 8.345 1.154 -11.249 1.00 0.00 H new ATOM 0 HB2 TYR A 59 8.429 -0.513 -9.447 1.00 0.00 H new ATOM 0 HB3 TYR A 59 6.680 -0.559 -9.350 1.00 0.00 H new ATOM 0 HD1 TYR A 59 9.292 -0.782 -12.066 1.00 0.00 H new ATOM 0 HD2 TYR A 59 5.671 -2.388 -10.405 1.00 0.00 H new ATOM 0 HE1 TYR A 59 9.247 -2.512 -13.837 1.00 0.00 H new ATOM 0 HE2 TYR A 59 5.628 -4.122 -12.178 1.00 0.00 H new ATOM 0 HH TYR A 59 6.899 -5.166 -13.801 1.00 0.00 H new ATOM 863 N ALA A 60 6.462 1.394 -12.828 1.00 0.00 N ATOM 864 CA ALA A 60 5.343 1.531 -13.805 1.00 0.00 C ATOM 865 C ALA A 60 4.711 0.167 -14.096 1.00 0.00 C ATOM 866 O ALA A 60 5.363 -0.861 -14.062 1.00 0.00 O ATOM 867 CB ALA A 60 5.873 2.132 -15.107 1.00 0.00 C ATOM 0 H ALA A 60 7.391 1.558 -13.216 1.00 0.00 H new ATOM 0 HA ALA A 60 4.584 2.185 -13.376 1.00 0.00 H new ATOM 0 HB1 ALA A 60 5.055 2.232 -15.821 1.00 0.00 H new ATOM 0 HB2 ALA A 60 6.302 3.114 -14.906 1.00 0.00 H new ATOM 0 HB3 ALA A 60 6.640 1.479 -15.523 1.00 0.00 H new ATOM 873 N ASN A 61 3.438 0.165 -14.384 1.00 0.00 N ATOM 874 CA ASN A 61 2.725 -1.109 -14.688 1.00 0.00 C ATOM 875 C ASN A 61 2.819 -2.048 -13.480 1.00 0.00 C ATOM 876 O ASN A 61 2.987 -3.245 -13.611 1.00 0.00 O ATOM 877 CB ASN A 61 3.351 -1.761 -15.926 1.00 0.00 C ATOM 878 CG ASN A 61 2.412 -2.840 -16.469 1.00 0.00 C ATOM 879 OD1 ASN A 61 2.651 -4.017 -16.289 1.00 0.00 O ATOM 880 ND2 ASN A 61 1.344 -2.487 -17.135 1.00 0.00 N ATOM 0 H ASN A 61 2.855 1.001 -14.422 1.00 0.00 H new ATOM 0 HA ASN A 61 1.674 -0.905 -14.892 1.00 0.00 H new ATOM 0 HB2 ASN A 61 3.537 -1.008 -16.692 1.00 0.00 H new ATOM 0 HB3 ASN A 61 4.315 -2.199 -15.670 1.00 0.00 H new ATOM 0 HD21 ASN A 61 0.713 -3.200 -17.502 1.00 0.00 H new ATOM 0 HD22 ASN A 61 1.141 -1.499 -17.287 1.00 0.00 H new ATOM 887 N VAL A 62 2.706 -1.501 -12.299 1.00 0.00 N ATOM 888 CA VAL A 62 2.785 -2.334 -11.061 1.00 0.00 C ATOM 889 C VAL A 62 1.479 -3.096 -10.844 1.00 0.00 C ATOM 890 O VAL A 62 0.398 -2.575 -11.036 1.00 0.00 O ATOM 891 CB VAL A 62 3.057 -1.433 -9.851 1.00 0.00 C ATOM 892 CG1 VAL A 62 1.875 -0.488 -9.628 1.00 0.00 C ATOM 893 CG2 VAL A 62 3.254 -2.301 -8.604 1.00 0.00 C ATOM 0 H VAL A 62 2.561 -0.504 -12.137 1.00 0.00 H new ATOM 0 HA VAL A 62 3.597 -3.052 -11.175 1.00 0.00 H new ATOM 0 HB VAL A 62 3.956 -0.846 -10.037 1.00 0.00 H new ATOM 0 HG11 VAL A 62 2.076 0.149 -8.767 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.733 0.133 -10.513 1.00 0.00 H new ATOM 0 HG13 VAL A 62 0.972 -1.071 -9.445 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.448 -1.662 -7.743 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.354 -2.889 -8.424 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.101 -2.970 -8.757 1.00 0.00 H new ATOM 903 N GLU A 63 1.580 -4.335 -10.436 1.00 0.00 N ATOM 904 CA GLU A 63 0.359 -5.166 -10.193 1.00 0.00 C ATOM 905 C GLU A 63 0.140 -5.327 -8.691 1.00 0.00 C ATOM 906 O GLU A 63 1.061 -5.564 -7.931 1.00 0.00 O ATOM 907 CB GLU A 63 0.548 -6.542 -10.838 1.00 0.00 C ATOM 908 CG GLU A 63 0.548 -6.384 -12.359 1.00 0.00 C ATOM 909 CD GLU A 63 0.807 -7.737 -13.026 1.00 0.00 C ATOM 910 OE1 GLU A 63 0.902 -8.722 -12.311 1.00 0.00 O ATOM 911 OE2 GLU A 63 0.902 -7.766 -14.242 1.00 0.00 O ATOM 0 H GLU A 63 2.464 -4.812 -10.259 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.510 -4.676 -10.631 1.00 0.00 H new ATOM 0 HB2 GLU A 63 1.486 -6.988 -10.506 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.252 -7.215 -10.530 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.410 -5.983 -12.691 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.314 -5.669 -12.659 1.00 0.00 H new ATOM 918 N TYR A 64 -1.080 -5.184 -8.257 1.00 0.00 N ATOM 919 CA TYR A 64 -1.393 -5.311 -6.806 1.00 0.00 C ATOM 920 C TYR A 64 -2.822 -5.812 -6.631 1.00 0.00 C ATOM 921 O TYR A 64 -3.629 -5.758 -7.539 1.00 0.00 O ATOM 922 CB TYR A 64 -1.257 -3.946 -6.132 1.00 0.00 C ATOM 923 CG TYR A 64 -2.178 -2.956 -6.807 1.00 0.00 C ATOM 924 CD1 TYR A 64 -1.732 -2.231 -7.919 1.00 0.00 C ATOM 925 CD2 TYR A 64 -3.477 -2.761 -6.320 1.00 0.00 C ATOM 926 CE1 TYR A 64 -2.582 -1.312 -8.544 1.00 0.00 C ATOM 927 CE2 TYR A 64 -4.328 -1.842 -6.947 1.00 0.00 C ATOM 928 CZ TYR A 64 -3.881 -1.117 -8.058 1.00 0.00 C ATOM 929 OH TYR A 64 -4.720 -0.212 -8.674 1.00 0.00 O ATOM 0 H TYR A 64 -1.883 -4.982 -8.852 1.00 0.00 H new ATOM 0 HA TYR A 64 -0.699 -6.018 -6.351 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -1.504 -4.025 -5.073 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -0.225 -3.599 -6.194 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -0.731 -2.381 -8.295 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -3.822 -3.319 -5.462 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -2.236 -0.753 -9.401 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -5.330 -1.693 -6.573 1.00 0.00 H new ATOM 0 HH TYR A 64 -5.584 -0.200 -8.212 1.00 0.00 H new ATOM 939 N GLU A 65 -3.143 -6.298 -5.465 1.00 0.00 N ATOM 940 CA GLU A 65 -4.524 -6.808 -5.207 1.00 0.00 C ATOM 941 C GLU A 65 -4.974 -6.386 -3.813 1.00 0.00 C ATOM 942 O GLU A 65 -4.174 -6.191 -2.919 1.00 0.00 O ATOM 943 CB GLU A 65 -4.533 -8.334 -5.301 1.00 0.00 C ATOM 944 CG GLU A 65 -4.240 -8.767 -6.739 1.00 0.00 C ATOM 945 CD GLU A 65 -5.365 -8.292 -7.663 1.00 0.00 C ATOM 946 OE1 GLU A 65 -6.442 -8.018 -7.159 1.00 0.00 O ATOM 947 OE2 GLU A 65 -5.130 -8.209 -8.856 1.00 0.00 O ATOM 0 H GLU A 65 -2.505 -6.365 -4.672 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.205 -6.393 -5.950 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.787 -8.753 -4.626 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -5.502 -8.721 -4.985 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -3.287 -8.351 -7.067 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -4.148 -9.852 -6.790 1.00 0.00 H new ATOM 954 N VAL A 66 -6.260 -6.246 -3.630 1.00 0.00 N ATOM 955 CA VAL A 66 -6.810 -5.829 -2.305 1.00 0.00 C ATOM 956 C VAL A 66 -7.613 -6.982 -1.709 1.00 0.00 C ATOM 957 O VAL A 66 -8.466 -7.567 -2.351 1.00 0.00 O ATOM 958 CB VAL A 66 -7.720 -4.616 -2.501 1.00 0.00 C ATOM 959 CG1 VAL A 66 -8.480 -4.325 -1.204 1.00 0.00 C ATOM 960 CG2 VAL A 66 -6.870 -3.399 -2.874 1.00 0.00 C ATOM 0 H VAL A 66 -6.963 -6.405 -4.352 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.995 -5.568 -1.629 1.00 0.00 H new ATOM 0 HB VAL A 66 -8.433 -4.825 -3.298 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -9.127 -3.460 -1.348 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -9.085 -5.191 -0.935 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.769 -4.117 -0.404 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -7.517 -2.533 -3.014 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.157 -3.194 -2.075 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -6.330 -3.602 -3.799 1.00 0.00 H new ATOM 970 N ALA A 67 -7.336 -7.310 -0.480 1.00 0.00 N ATOM 971 CA ALA A 67 -8.058 -8.426 0.182 1.00 0.00 C ATOM 972 C ALA A 67 -9.461 -7.959 0.606 1.00 0.00 C ATOM 973 O ALA A 67 -9.760 -6.781 0.579 1.00 0.00 O ATOM 974 CB ALA A 67 -7.253 -8.888 1.412 1.00 0.00 C ATOM 0 H ALA A 67 -6.634 -6.848 0.098 1.00 0.00 H new ATOM 0 HA ALA A 67 -8.165 -9.260 -0.512 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -7.777 -9.708 1.903 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.267 -9.227 1.095 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.145 -8.057 2.109 1.00 0.00 H new ATOM 980 N PRO A 68 -10.311 -8.875 1.002 1.00 0.00 N ATOM 981 CA PRO A 68 -11.697 -8.541 1.446 1.00 0.00 C ATOM 982 C PRO A 68 -11.711 -7.578 2.638 1.00 0.00 C ATOM 983 O PRO A 68 -10.876 -7.647 3.521 1.00 0.00 O ATOM 984 CB PRO A 68 -12.311 -9.903 1.834 1.00 0.00 C ATOM 985 CG PRO A 68 -11.448 -10.934 1.176 1.00 0.00 C ATOM 986 CD PRO A 68 -10.053 -10.325 1.076 1.00 0.00 C ATOM 0 HA PRO A 68 -12.255 -8.029 0.662 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -12.323 -10.034 2.916 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -13.343 -9.980 1.492 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -11.429 -11.855 1.759 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -11.832 -11.190 0.189 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -9.442 -10.580 1.942 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -9.522 -10.683 0.194 1.00 0.00 H new ATOM 994 N VAL A 69 -12.659 -6.679 2.663 1.00 0.00 N ATOM 995 CA VAL A 69 -12.754 -5.694 3.782 1.00 0.00 C ATOM 996 C VAL A 69 -14.111 -5.835 4.476 1.00 0.00 C ATOM 997 O VAL A 69 -15.149 -5.891 3.844 1.00 0.00 O ATOM 998 CB VAL A 69 -12.608 -4.280 3.221 1.00 0.00 C ATOM 999 CG1 VAL A 69 -12.626 -3.273 4.370 1.00 0.00 C ATOM 1000 CG2 VAL A 69 -11.280 -4.170 2.468 1.00 0.00 C ATOM 0 H VAL A 69 -13.380 -6.584 1.948 1.00 0.00 H new ATOM 0 HA VAL A 69 -11.961 -5.884 4.505 1.00 0.00 H new ATOM 0 HB VAL A 69 -13.433 -4.069 2.541 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -12.522 -2.264 3.971 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -13.569 -3.354 4.910 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -11.800 -3.482 5.050 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -11.172 -3.163 2.066 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -10.456 -4.379 3.151 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -11.265 -4.890 1.650 1.00 0.00 H new ATOM 1010 N ALA A 70 -14.101 -5.890 5.779 1.00 0.00 N ATOM 1011 CA ALA A 70 -15.372 -6.024 6.547 1.00 0.00 C ATOM 1012 C ALA A 70 -16.117 -4.687 6.537 1.00 0.00 C ATOM 1013 O ALA A 70 -16.826 -4.355 7.461 1.00 0.00 O ATOM 1014 CB ALA A 70 -15.050 -6.430 7.985 1.00 0.00 C ATOM 0 H ALA A 70 -13.258 -5.847 6.351 1.00 0.00 H new ATOM 0 HA ALA A 70 -16.002 -6.787 6.089 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -15.976 -6.529 8.551 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -14.521 -7.383 7.984 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -14.423 -5.667 8.447 1.00 0.00 H new ATOM 1020 N ASP A 71 -15.949 -3.933 5.491 1.00 0.00 N ATOM 1021 CA ASP A 71 -16.632 -2.611 5.369 1.00 0.00 C ATOM 1022 C ASP A 71 -16.308 -1.721 6.571 1.00 0.00 C ATOM 1023 O ASP A 71 -15.582 -0.752 6.469 1.00 0.00 O ATOM 1024 CB ASP A 71 -18.144 -2.828 5.297 1.00 0.00 C ATOM 1025 CG ASP A 71 -18.823 -1.530 4.858 1.00 0.00 C ATOM 1026 OD1 ASP A 71 -18.325 -0.908 3.933 1.00 0.00 O ATOM 1027 OD2 ASP A 71 -19.827 -1.179 5.453 1.00 0.00 O ATOM 0 H ASP A 71 -15.356 -4.179 4.698 1.00 0.00 H new ATOM 0 HA ASP A 71 -16.279 -2.118 4.463 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -18.375 -3.628 4.593 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -18.525 -3.139 6.270 1.00 0.00 H new ATOM 1032 N ASN A 72 -16.849 -2.042 7.707 1.00 0.00 N ATOM 1033 CA ASN A 72 -16.594 -1.230 8.925 1.00 0.00 C ATOM 1034 C ASN A 72 -15.188 -1.530 9.452 1.00 0.00 C ATOM 1035 O ASN A 72 -14.736 -0.951 10.420 1.00 0.00 O ATOM 1036 CB ASN A 72 -17.627 -1.599 9.990 1.00 0.00 C ATOM 1037 CG ASN A 72 -17.524 -0.625 11.166 1.00 0.00 C ATOM 1038 OD1 ASN A 72 -17.293 0.553 10.974 1.00 0.00 O ATOM 1039 ND2 ASN A 72 -17.687 -1.064 12.386 1.00 0.00 N ATOM 0 H ASN A 72 -17.465 -2.843 7.847 1.00 0.00 H new ATOM 0 HA ASN A 72 -16.671 -0.169 8.687 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -18.630 -1.566 9.565 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -17.460 -2.620 10.335 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -17.620 -0.419 13.173 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -17.881 -2.052 12.551 1.00 0.00 H new ATOM 1046 N ALA A 73 -14.491 -2.432 8.814 1.00 0.00 N ATOM 1047 CA ALA A 73 -13.109 -2.778 9.270 1.00 0.00 C ATOM 1048 C ALA A 73 -12.329 -1.501 9.606 1.00 0.00 C ATOM 1049 O ALA A 73 -12.512 -0.462 9.001 1.00 0.00 O ATOM 1050 CB ALA A 73 -12.385 -3.538 8.151 1.00 0.00 C ATOM 0 H ALA A 73 -14.818 -2.946 7.996 1.00 0.00 H new ATOM 0 HA ALA A 73 -13.171 -3.401 10.163 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -11.377 -3.793 8.478 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.933 -4.451 7.918 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -12.330 -2.911 7.261 1.00 0.00 H new ATOM 1056 N THR A 74 -11.458 -1.579 10.575 1.00 0.00 N ATOM 1057 CA THR A 74 -10.652 -0.389 10.976 1.00 0.00 C ATOM 1058 C THR A 74 -9.289 -0.456 10.285 1.00 0.00 C ATOM 1059 O THR A 74 -8.449 0.405 10.451 1.00 0.00 O ATOM 1060 CB THR A 74 -10.460 -0.400 12.499 1.00 0.00 C ATOM 1061 OG1 THR A 74 -9.404 -1.289 12.841 1.00 0.00 O ATOM 1062 CG2 THR A 74 -11.752 -0.860 13.177 1.00 0.00 C ATOM 0 H THR A 74 -11.268 -2.425 11.112 1.00 0.00 H new ATOM 0 HA THR A 74 -11.166 0.527 10.683 1.00 0.00 H new ATOM 0 HB THR A 74 -10.211 0.606 12.837 1.00 0.00 H new ATOM 0 HG1 THR A 74 -9.282 -1.293 13.813 1.00 0.00 H new ATOM 0 HG21 THR A 74 -11.613 -0.867 14.258 1.00 0.00 H new ATOM 0 HG22 THR A 74 -12.561 -0.177 12.920 1.00 0.00 H new ATOM 0 HG23 THR A 74 -12.004 -1.865 12.837 1.00 0.00 H new ATOM 1070 N GLU A 75 -9.064 -1.477 9.502 1.00 0.00 N ATOM 1071 CA GLU A 75 -7.755 -1.605 8.792 1.00 0.00 C ATOM 1072 C GLU A 75 -7.970 -2.225 7.419 1.00 0.00 C ATOM 1073 O GLU A 75 -8.944 -2.910 7.177 1.00 0.00 O ATOM 1074 CB GLU A 75 -6.793 -2.487 9.600 1.00 0.00 C ATOM 1075 CG GLU A 75 -7.413 -3.875 9.809 1.00 0.00 C ATOM 1076 CD GLU A 75 -6.460 -4.747 10.631 1.00 0.00 C ATOM 1077 OE1 GLU A 75 -5.341 -4.322 10.859 1.00 0.00 O ATOM 1078 OE2 GLU A 75 -6.867 -5.832 11.016 1.00 0.00 O ATOM 0 H GLU A 75 -9.729 -2.229 9.322 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.322 -0.611 8.682 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.842 -2.579 9.076 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.583 -2.024 10.564 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -8.371 -3.783 10.322 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -7.611 -4.344 8.845 1.00 0.00 H new ATOM 1085 N LEU A 76 -7.059 -1.982 6.518 1.00 0.00 N ATOM 1086 CA LEU A 76 -7.174 -2.542 5.140 1.00 0.00 C ATOM 1087 C LEU A 76 -5.894 -3.297 4.795 1.00 0.00 C ATOM 1088 O LEU A 76 -4.795 -2.822 5.012 1.00 0.00 O ATOM 1089 CB LEU A 76 -7.391 -1.400 4.148 1.00 0.00 C ATOM 1090 CG LEU A 76 -7.640 -1.964 2.720 1.00 0.00 C ATOM 1091 CD1 LEU A 76 -8.740 -1.157 2.024 1.00 0.00 C ATOM 1092 CD2 LEU A 76 -6.354 -1.874 1.885 1.00 0.00 C ATOM 0 H LEU A 76 -6.229 -1.412 6.679 1.00 0.00 H new ATOM 0 HA LEU A 76 -8.020 -3.228 5.087 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -8.242 -0.795 4.461 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.520 -0.745 4.141 1.00 0.00 H new ATOM 0 HG LEU A 76 -7.947 -3.006 2.808 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -8.908 -1.558 1.025 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -9.662 -1.224 2.602 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -8.434 -0.114 1.949 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.540 -2.272 0.887 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -6.042 -0.832 1.808 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.567 -2.454 2.366 1.00 0.00 H new ATOM 1104 N HIS A 77 -6.035 -4.478 4.262 1.00 0.00 N ATOM 1105 CA HIS A 77 -4.845 -5.305 3.893 1.00 0.00 C ATOM 1106 C HIS A 77 -4.669 -5.303 2.376 1.00 0.00 C ATOM 1107 O HIS A 77 -5.594 -5.561 1.629 1.00 0.00 O ATOM 1108 CB HIS A 77 -5.062 -6.739 4.379 1.00 0.00 C ATOM 1109 CG HIS A 77 -5.034 -6.768 5.884 1.00 0.00 C ATOM 1110 ND1 HIS A 77 -6.187 -6.694 6.651 1.00 0.00 N ATOM 1111 CD2 HIS A 77 -3.995 -6.863 6.775 1.00 0.00 C ATOM 1112 CE1 HIS A 77 -5.815 -6.746 7.945 1.00 0.00 C ATOM 1113 NE2 HIS A 77 -4.491 -6.849 8.076 1.00 0.00 N ATOM 0 H HIS A 77 -6.935 -4.914 4.062 1.00 0.00 H new ATOM 0 HA HIS A 77 -3.952 -4.889 4.359 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -6.017 -7.117 4.015 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -4.287 -7.392 3.977 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -2.951 -6.937 6.508 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -6.505 -6.709 8.775 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -3.957 -6.905 8.943 1.00 0.00 H new ATOM 1121 N ALA A 78 -3.485 -5.009 1.914 1.00 0.00 N ATOM 1122 CA ALA A 78 -3.234 -4.981 0.441 1.00 0.00 C ATOM 1123 C ALA A 78 -1.861 -5.572 0.140 1.00 0.00 C ATOM 1124 O ALA A 78 -0.977 -5.590 0.975 1.00 0.00 O ATOM 1125 CB ALA A 78 -3.281 -3.537 -0.059 1.00 0.00 C ATOM 0 H ALA A 78 -2.676 -4.786 2.494 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.001 -5.569 -0.063 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -3.098 -3.518 -1.133 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -4.263 -3.112 0.149 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.516 -2.951 0.450 1.00 0.00 H new ATOM 1131 N ARG A 79 -1.686 -6.062 -1.058 1.00 0.00 N ATOM 1132 CA ARG A 79 -0.381 -6.673 -1.462 1.00 0.00 C ATOM 1133 C ARG A 79 0.103 -6.045 -2.765 1.00 0.00 C ATOM 1134 O ARG A 79 -0.680 -5.668 -3.616 1.00 0.00 O ATOM 1135 CB ARG A 79 -0.565 -8.176 -1.664 1.00 0.00 C ATOM 1136 CG ARG A 79 -0.790 -8.852 -0.312 1.00 0.00 C ATOM 1137 CD ARG A 79 -0.991 -10.355 -0.523 1.00 0.00 C ATOM 1138 NE ARG A 79 -1.205 -11.017 0.798 1.00 0.00 N ATOM 1139 CZ ARG A 79 -1.112 -12.316 0.912 1.00 0.00 C ATOM 1140 NH1 ARG A 79 -0.824 -13.053 -0.129 1.00 0.00 N ATOM 1141 NH2 ARG A 79 -1.304 -12.879 2.071 1.00 0.00 N ATOM 0 H ARG A 79 -2.401 -6.066 -1.786 1.00 0.00 H new ATOM 0 HA ARG A 79 0.356 -6.494 -0.679 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -1.414 -8.363 -2.321 1.00 0.00 H new ATOM 0 HB3 ARG A 79 0.314 -8.598 -2.151 1.00 0.00 H new ATOM 0 HG2 ARG A 79 0.064 -8.676 0.342 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -1.662 -8.423 0.181 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -1.848 -10.531 -1.173 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -0.121 -10.783 -1.020 1.00 0.00 H new ATOM 0 HE ARG A 79 -1.425 -10.451 1.618 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -0.670 -12.615 -1.037 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -0.753 -14.066 -0.033 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -1.526 -12.307 2.886 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -1.232 -13.892 2.164 1.00 0.00 H new ATOM 1155 N PHE A 80 1.396 -5.929 -2.921 1.00 0.00 N ATOM 1156 CA PHE A 80 1.970 -5.323 -4.163 1.00 0.00 C ATOM 1157 C PHE A 80 3.015 -6.263 -4.754 1.00 0.00 C ATOM 1158 O PHE A 80 3.699 -6.977 -4.046 1.00 0.00 O ATOM 1159 CB PHE A 80 2.631 -3.990 -3.817 1.00 0.00 C ATOM 1160 CG PHE A 80 1.567 -2.982 -3.467 1.00 0.00 C ATOM 1161 CD1 PHE A 80 1.079 -2.905 -2.158 1.00 0.00 C ATOM 1162 CD2 PHE A 80 1.063 -2.132 -4.454 1.00 0.00 C ATOM 1163 CE1 PHE A 80 0.086 -1.972 -1.837 1.00 0.00 C ATOM 1164 CE2 PHE A 80 0.071 -1.200 -4.135 1.00 0.00 C ATOM 1165 CZ PHE A 80 -0.418 -1.119 -2.826 1.00 0.00 C ATOM 0 H PHE A 80 2.087 -6.231 -2.234 1.00 0.00 H new ATOM 0 HA PHE A 80 1.173 -5.161 -4.889 1.00 0.00 H new ATOM 0 HB2 PHE A 80 3.317 -4.118 -2.979 1.00 0.00 H new ATOM 0 HB3 PHE A 80 3.222 -3.634 -4.661 1.00 0.00 H new ATOM 0 HD1 PHE A 80 1.468 -3.564 -1.396 1.00 0.00 H new ATOM 0 HD2 PHE A 80 1.440 -2.195 -5.464 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -0.291 -1.910 -0.827 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -0.318 -0.543 -4.898 1.00 0.00 H new ATOM 0 HZ PHE A 80 -1.184 -0.399 -2.579 1.00 0.00 H new ATOM 1175 N LYS A 81 3.143 -6.260 -6.052 1.00 0.00 N ATOM 1176 CA LYS A 81 4.139 -7.143 -6.730 1.00 0.00 C ATOM 1177 C LYS A 81 5.246 -6.282 -7.331 1.00 0.00 C ATOM 1178 O LYS A 81 4.994 -5.346 -8.065 1.00 0.00 O ATOM 1179 CB LYS A 81 3.441 -7.933 -7.838 1.00 0.00 C ATOM 1180 CG LYS A 81 4.451 -8.857 -8.524 1.00 0.00 C ATOM 1181 CD LYS A 81 3.741 -9.692 -9.592 1.00 0.00 C ATOM 1182 CE LYS A 81 4.752 -10.623 -10.266 1.00 0.00 C ATOM 1183 NZ LYS A 81 5.310 -11.566 -9.255 1.00 0.00 N ATOM 0 H LYS A 81 2.593 -5.676 -6.682 1.00 0.00 H new ATOM 0 HA LYS A 81 4.571 -7.837 -6.009 1.00 0.00 H new ATOM 0 HB2 LYS A 81 2.622 -8.519 -7.420 1.00 0.00 H new ATOM 0 HB3 LYS A 81 3.005 -7.250 -8.566 1.00 0.00 H new ATOM 0 HG2 LYS A 81 5.247 -8.268 -8.979 1.00 0.00 H new ATOM 0 HG3 LYS A 81 4.919 -9.511 -7.788 1.00 0.00 H new ATOM 0 HD2 LYS A 81 2.939 -10.275 -9.140 1.00 0.00 H new ATOM 0 HD3 LYS A 81 3.281 -9.039 -10.334 1.00 0.00 H new ATOM 0 HE2 LYS A 81 4.271 -11.179 -11.071 1.00 0.00 H new ATOM 0 HE3 LYS A 81 5.555 -10.040 -10.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 6.321 -11.719 -9.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 5.192 -11.164 -8.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 4.806 -12.474 -9.312 1.00 0.00 H new ATOM 1197 N PHE A 82 6.473 -6.598 -7.015 1.00 0.00 N ATOM 1198 CA PHE A 82 7.631 -5.817 -7.545 1.00 0.00 C ATOM 1199 C PHE A 82 8.574 -6.748 -8.304 1.00 0.00 C ATOM 1200 O PHE A 82 8.754 -7.901 -7.959 1.00 0.00 O ATOM 1201 CB PHE A 82 8.377 -5.167 -6.382 1.00 0.00 C ATOM 1202 CG PHE A 82 7.450 -4.202 -5.680 1.00 0.00 C ATOM 1203 CD1 PHE A 82 7.074 -3.012 -6.312 1.00 0.00 C ATOM 1204 CD2 PHE A 82 6.963 -4.498 -4.400 1.00 0.00 C ATOM 1205 CE1 PHE A 82 6.211 -2.117 -5.666 1.00 0.00 C ATOM 1206 CE2 PHE A 82 6.100 -3.604 -3.756 1.00 0.00 C ATOM 1207 CZ PHE A 82 5.724 -2.413 -4.388 1.00 0.00 C ATOM 0 H PHE A 82 6.727 -7.374 -6.404 1.00 0.00 H new ATOM 0 HA PHE A 82 7.269 -5.044 -8.223 1.00 0.00 H new ATOM 0 HB2 PHE A 82 8.725 -5.929 -5.685 1.00 0.00 H new ATOM 0 HB3 PHE A 82 9.260 -4.642 -6.747 1.00 0.00 H new ATOM 0 HD1 PHE A 82 7.449 -2.783 -7.299 1.00 0.00 H new ATOM 0 HD2 PHE A 82 7.254 -5.416 -3.910 1.00 0.00 H new ATOM 0 HE1 PHE A 82 5.922 -1.198 -6.155 1.00 0.00 H new ATOM 0 HE2 PHE A 82 5.724 -3.833 -2.770 1.00 0.00 H new ATOM 0 HZ PHE A 82 5.059 -1.723 -3.890 1.00 0.00 H new ATOM 1217 N GLU A 83 9.168 -6.245 -9.344 1.00 0.00 N ATOM 1218 CA GLU A 83 10.105 -7.064 -10.160 1.00 0.00 C ATOM 1219 C GLU A 83 11.375 -7.343 -9.358 1.00 0.00 C ATOM 1220 O GLU A 83 11.997 -8.376 -9.507 1.00 0.00 O ATOM 1221 CB GLU A 83 10.469 -6.297 -11.438 1.00 0.00 C ATOM 1222 CG GLU A 83 9.223 -5.645 -12.032 1.00 0.00 C ATOM 1223 CD GLU A 83 8.194 -6.722 -12.389 1.00 0.00 C ATOM 1224 OE1 GLU A 83 8.586 -7.870 -12.512 1.00 0.00 O ATOM 1225 OE2 GLU A 83 7.033 -6.379 -12.538 1.00 0.00 O ATOM 0 H GLU A 83 9.043 -5.287 -9.670 1.00 0.00 H new ATOM 0 HA GLU A 83 9.627 -8.008 -10.422 1.00 0.00 H new ATOM 0 HB2 GLU A 83 11.216 -5.535 -11.214 1.00 0.00 H new ATOM 0 HB3 GLU A 83 10.915 -6.976 -12.165 1.00 0.00 H new ATOM 0 HG2 GLU A 83 8.794 -4.942 -11.318 1.00 0.00 H new ATOM 0 HG3 GLU A 83 9.489 -5.074 -12.922 1.00 0.00 H new ATOM 1232 N VAL A 84 11.775 -6.422 -8.517 1.00 0.00 N ATOM 1233 CA VAL A 84 13.020 -6.624 -7.707 1.00 0.00 C ATOM 1234 C VAL A 84 12.750 -6.326 -6.231 1.00 0.00 C ATOM 1235 O VAL A 84 11.831 -5.614 -5.877 1.00 0.00 O ATOM 1236 CB VAL A 84 14.125 -5.694 -8.233 1.00 0.00 C ATOM 1237 CG1 VAL A 84 14.160 -5.759 -9.761 1.00 0.00 C ATOM 1238 CG2 VAL A 84 13.854 -4.249 -7.794 1.00 0.00 C ATOM 0 H VAL A 84 11.294 -5.537 -8.355 1.00 0.00 H new ATOM 0 HA VAL A 84 13.340 -7.662 -7.798 1.00 0.00 H new ATOM 0 HB VAL A 84 15.083 -6.017 -7.826 1.00 0.00 H new ATOM 0 HG11 VAL A 84 14.943 -5.100 -10.135 1.00 0.00 H new ATOM 0 HG12 VAL A 84 14.365 -6.782 -10.077 1.00 0.00 H new ATOM 0 HG13 VAL A 84 13.197 -5.442 -10.161 1.00 0.00 H new ATOM 0 HG21 VAL A 84 14.643 -3.600 -8.173 1.00 0.00 H new ATOM 0 HG22 VAL A 84 12.893 -3.922 -8.192 1.00 0.00 H new ATOM 0 HG23 VAL A 84 13.833 -4.197 -6.705 1.00 0.00 H new ATOM 1248 N SER A 85 13.560 -6.878 -5.373 1.00 0.00 N ATOM 1249 CA SER A 85 13.401 -6.654 -3.907 1.00 0.00 C ATOM 1250 C SER A 85 13.712 -5.197 -3.558 1.00 0.00 C ATOM 1251 O SER A 85 13.062 -4.589 -2.731 1.00 0.00 O ATOM 1252 CB SER A 85 14.372 -7.563 -3.158 1.00 0.00 C ATOM 1253 OG SER A 85 14.199 -7.385 -1.759 1.00 0.00 O ATOM 0 H SER A 85 14.339 -7.485 -5.628 1.00 0.00 H new ATOM 0 HA SER A 85 12.374 -6.878 -3.620 1.00 0.00 H new ATOM 0 HB2 SER A 85 14.195 -8.604 -3.428 1.00 0.00 H new ATOM 0 HB3 SER A 85 15.398 -7.330 -3.442 1.00 0.00 H new ATOM 0 HG SER A 85 14.820 -7.969 -1.276 1.00 0.00 H new ATOM 1259 N ALA A 86 14.722 -4.641 -4.173 1.00 0.00 N ATOM 1260 CA ALA A 86 15.111 -3.227 -3.878 1.00 0.00 C ATOM 1261 C ALA A 86 13.860 -2.349 -3.728 1.00 0.00 C ATOM 1262 O ALA A 86 13.750 -1.541 -2.826 1.00 0.00 O ATOM 1263 CB ALA A 86 15.965 -2.694 -5.034 1.00 0.00 C ATOM 0 H ALA A 86 15.299 -5.108 -4.872 1.00 0.00 H new ATOM 0 HA ALA A 86 15.676 -3.199 -2.946 1.00 0.00 H new ATOM 0 HB1 ALA A 86 16.254 -1.663 -4.828 1.00 0.00 H new ATOM 0 HB2 ALA A 86 16.860 -3.307 -5.138 1.00 0.00 H new ATOM 0 HB3 ALA A 86 15.390 -2.732 -5.959 1.00 0.00 H new ATOM 1269 N GLU A 87 12.917 -2.512 -4.606 1.00 0.00 N ATOM 1270 CA GLU A 87 11.668 -1.701 -4.531 1.00 0.00 C ATOM 1271 C GLU A 87 10.882 -2.062 -3.268 1.00 0.00 C ATOM 1272 O GLU A 87 10.177 -1.249 -2.708 1.00 0.00 O ATOM 1273 CB GLU A 87 10.809 -1.991 -5.763 1.00 0.00 C ATOM 1274 CG GLU A 87 11.491 -1.423 -7.007 1.00 0.00 C ATOM 1275 CD GLU A 87 10.675 -1.780 -8.253 1.00 0.00 C ATOM 1276 OE1 GLU A 87 9.668 -2.452 -8.109 1.00 0.00 O ATOM 1277 OE2 GLU A 87 11.072 -1.369 -9.333 1.00 0.00 O ATOM 0 H GLU A 87 12.954 -3.176 -5.379 1.00 0.00 H new ATOM 0 HA GLU A 87 11.927 -0.643 -4.498 1.00 0.00 H new ATOM 0 HB2 GLU A 87 10.664 -3.066 -5.874 1.00 0.00 H new ATOM 0 HB3 GLU A 87 9.821 -1.547 -5.643 1.00 0.00 H new ATOM 0 HG2 GLU A 87 11.584 -0.341 -6.920 1.00 0.00 H new ATOM 0 HG3 GLU A 87 12.501 -1.824 -7.095 1.00 0.00 H new ATOM 1284 N LYS A 88 10.992 -3.280 -2.818 1.00 0.00 N ATOM 1285 CA LYS A 88 10.249 -3.696 -1.591 1.00 0.00 C ATOM 1286 C LYS A 88 10.737 -2.892 -0.384 1.00 0.00 C ATOM 1287 O LYS A 88 9.958 -2.395 0.406 1.00 0.00 O ATOM 1288 CB LYS A 88 10.501 -5.185 -1.330 1.00 0.00 C ATOM 1289 CG LYS A 88 9.686 -5.650 -0.119 1.00 0.00 C ATOM 1290 CD LYS A 88 9.909 -7.148 0.104 1.00 0.00 C ATOM 1291 CE LYS A 88 9.139 -7.601 1.347 1.00 0.00 C ATOM 1292 NZ LYS A 88 7.682 -7.383 1.136 1.00 0.00 N ATOM 0 H LYS A 88 11.564 -4.008 -3.246 1.00 0.00 H new ATOM 0 HA LYS A 88 9.185 -3.514 -1.740 1.00 0.00 H new ATOM 0 HB2 LYS A 88 10.227 -5.768 -2.209 1.00 0.00 H new ATOM 0 HB3 LYS A 88 11.563 -5.357 -1.152 1.00 0.00 H new ATOM 0 HG2 LYS A 88 9.983 -5.091 0.769 1.00 0.00 H new ATOM 0 HG3 LYS A 88 8.627 -5.450 -0.282 1.00 0.00 H new ATOM 0 HD2 LYS A 88 9.575 -7.710 -0.768 1.00 0.00 H new ATOM 0 HD3 LYS A 88 10.972 -7.354 0.227 1.00 0.00 H new ATOM 0 HE2 LYS A 88 9.335 -8.655 1.545 1.00 0.00 H new ATOM 0 HE3 LYS A 88 9.478 -7.044 2.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 7.142 -8.038 1.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 7.438 -6.403 1.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 7.446 -7.555 0.138 1.00 0.00 H new ATOM 1306 N LEU A 89 12.024 -2.780 -0.224 1.00 0.00 N ATOM 1307 CA LEU A 89 12.569 -2.024 0.943 1.00 0.00 C ATOM 1308 C LEU A 89 12.154 -0.553 0.858 1.00 0.00 C ATOM 1309 O LEU A 89 11.685 0.033 1.814 1.00 0.00 O ATOM 1310 CB LEU A 89 14.101 -2.122 0.920 1.00 0.00 C ATOM 1311 CG LEU A 89 14.563 -3.475 1.482 1.00 0.00 C ATOM 1312 CD1 LEU A 89 14.340 -3.540 3.006 1.00 0.00 C ATOM 1313 CD2 LEU A 89 13.790 -4.611 0.797 1.00 0.00 C ATOM 0 H LEU A 89 12.725 -3.178 -0.849 1.00 0.00 H new ATOM 0 HA LEU A 89 12.176 -2.448 1.867 1.00 0.00 H new ATOM 0 HB2 LEU A 89 14.463 -2.003 -0.101 1.00 0.00 H new ATOM 0 HB3 LEU A 89 14.532 -1.311 1.508 1.00 0.00 H new ATOM 0 HG LEU A 89 15.629 -3.586 1.284 1.00 0.00 H new ATOM 0 HD11 LEU A 89 14.674 -4.507 3.382 1.00 0.00 H new ATOM 0 HD12 LEU A 89 14.908 -2.746 3.491 1.00 0.00 H new ATOM 0 HD13 LEU A 89 13.280 -3.413 3.224 1.00 0.00 H new ATOM 0 HD21 LEU A 89 14.120 -5.569 1.198 1.00 0.00 H new ATOM 0 HD22 LEU A 89 12.723 -4.488 0.982 1.00 0.00 H new ATOM 0 HD23 LEU A 89 13.977 -4.583 -0.276 1.00 0.00 H new ATOM 1325 N ILE A 90 12.321 0.044 -0.283 1.00 0.00 N ATOM 1326 CA ILE A 90 11.933 1.475 -0.447 1.00 0.00 C ATOM 1327 C ILE A 90 10.407 1.601 -0.394 1.00 0.00 C ATOM 1328 O ILE A 90 9.860 2.492 0.225 1.00 0.00 O ATOM 1329 CB ILE A 90 12.460 1.989 -1.802 1.00 0.00 C ATOM 1330 CG1 ILE A 90 13.953 2.330 -1.684 1.00 0.00 C ATOM 1331 CG2 ILE A 90 11.681 3.238 -2.240 1.00 0.00 C ATOM 1332 CD1 ILE A 90 14.712 1.168 -1.041 1.00 0.00 C ATOM 0 H ILE A 90 12.711 -0.396 -1.116 1.00 0.00 H new ATOM 0 HA ILE A 90 12.365 2.071 0.357 1.00 0.00 H new ATOM 0 HB ILE A 90 12.323 1.207 -2.549 1.00 0.00 H new ATOM 0 HG12 ILE A 90 14.364 2.540 -2.671 1.00 0.00 H new ATOM 0 HG13 ILE A 90 14.081 3.232 -1.086 1.00 0.00 H new ATOM 0 HG21 ILE A 90 12.065 3.589 -3.198 1.00 0.00 H new ATOM 0 HG22 ILE A 90 10.624 2.991 -2.341 1.00 0.00 H new ATOM 0 HG23 ILE A 90 11.800 4.022 -1.492 1.00 0.00 H new ATOM 0 HD11 ILE A 90 15.769 1.423 -0.963 1.00 0.00 H new ATOM 0 HD12 ILE A 90 14.310 0.977 -0.046 1.00 0.00 H new ATOM 0 HD13 ILE A 90 14.598 0.275 -1.655 1.00 0.00 H new ATOM 1344 N PHE A 91 9.724 0.720 -1.059 1.00 0.00 N ATOM 1345 CA PHE A 91 8.236 0.776 -1.081 1.00 0.00 C ATOM 1346 C PHE A 91 7.690 0.640 0.340 1.00 0.00 C ATOM 1347 O PHE A 91 6.822 1.381 0.762 1.00 0.00 O ATOM 1348 CB PHE A 91 7.708 -0.377 -1.937 1.00 0.00 C ATOM 1349 CG PHE A 91 6.197 -0.372 -1.915 1.00 0.00 C ATOM 1350 CD1 PHE A 91 5.498 0.704 -2.473 1.00 0.00 C ATOM 1351 CD2 PHE A 91 5.493 -1.442 -1.341 1.00 0.00 C ATOM 1352 CE1 PHE A 91 4.098 0.714 -2.458 1.00 0.00 C ATOM 1353 CE2 PHE A 91 4.095 -1.431 -1.327 1.00 0.00 C ATOM 1354 CZ PHE A 91 3.397 -0.353 -1.884 1.00 0.00 C ATOM 0 H PHE A 91 10.134 -0.045 -1.595 1.00 0.00 H new ATOM 0 HA PHE A 91 7.914 1.730 -1.498 1.00 0.00 H new ATOM 0 HB2 PHE A 91 8.067 -0.278 -2.961 1.00 0.00 H new ATOM 0 HB3 PHE A 91 8.084 -1.327 -1.558 1.00 0.00 H new ATOM 0 HD1 PHE A 91 6.039 1.527 -2.916 1.00 0.00 H new ATOM 0 HD2 PHE A 91 6.031 -2.274 -0.910 1.00 0.00 H new ATOM 0 HE1 PHE A 91 3.559 1.545 -2.889 1.00 0.00 H new ATOM 0 HE2 PHE A 91 3.553 -2.255 -0.886 1.00 0.00 H new ATOM 0 HZ PHE A 91 2.317 -0.345 -1.871 1.00 0.00 H new ATOM 1364 N GLU A 92 8.194 -0.304 1.080 1.00 0.00 N ATOM 1365 CA GLU A 92 7.717 -0.501 2.478 1.00 0.00 C ATOM 1366 C GLU A 92 8.136 0.685 3.345 1.00 0.00 C ATOM 1367 O GLU A 92 7.411 1.125 4.216 1.00 0.00 O ATOM 1368 CB GLU A 92 8.325 -1.786 3.042 1.00 0.00 C ATOM 1369 CG GLU A 92 7.667 -2.991 2.371 1.00 0.00 C ATOM 1370 CD GLU A 92 8.315 -4.284 2.869 1.00 0.00 C ATOM 1371 OE1 GLU A 92 9.253 -4.196 3.645 1.00 0.00 O ATOM 1372 OE2 GLU A 92 7.857 -5.342 2.471 1.00 0.00 O ATOM 0 H GLU A 92 8.920 -0.953 0.777 1.00 0.00 H new ATOM 0 HA GLU A 92 6.630 -0.576 2.480 1.00 0.00 H new ATOM 0 HB2 GLU A 92 9.401 -1.800 2.868 1.00 0.00 H new ATOM 0 HB3 GLU A 92 8.176 -1.830 4.121 1.00 0.00 H new ATOM 0 HG2 GLU A 92 6.599 -3.002 2.590 1.00 0.00 H new ATOM 0 HG3 GLU A 92 7.770 -2.916 1.288 1.00 0.00 H new ATOM 1379 N LEU A 93 9.308 1.201 3.122 1.00 0.00 N ATOM 1380 CA LEU A 93 9.784 2.356 3.935 1.00 0.00 C ATOM 1381 C LEU A 93 8.891 3.576 3.692 1.00 0.00 C ATOM 1382 O LEU A 93 8.468 4.247 4.613 1.00 0.00 O ATOM 1383 CB LEU A 93 11.221 2.685 3.520 1.00 0.00 C ATOM 1384 CG LEU A 93 11.759 3.895 4.336 1.00 0.00 C ATOM 1385 CD1 LEU A 93 13.222 3.653 4.731 1.00 0.00 C ATOM 1386 CD2 LEU A 93 11.676 5.185 3.497 1.00 0.00 C ATOM 0 H LEU A 93 9.961 0.874 2.410 1.00 0.00 H new ATOM 0 HA LEU A 93 9.745 2.099 4.994 1.00 0.00 H new ATOM 0 HB2 LEU A 93 11.860 1.817 3.681 1.00 0.00 H new ATOM 0 HB3 LEU A 93 11.255 2.913 2.455 1.00 0.00 H new ATOM 0 HG LEU A 93 11.148 4.004 5.232 1.00 0.00 H new ATOM 0 HD11 LEU A 93 13.590 4.505 5.302 1.00 0.00 H new ATOM 0 HD12 LEU A 93 13.290 2.751 5.340 1.00 0.00 H new ATOM 0 HD13 LEU A 93 13.826 3.530 3.832 1.00 0.00 H new ATOM 0 HD21 LEU A 93 12.056 6.024 4.081 1.00 0.00 H new ATOM 0 HD22 LEU A 93 12.275 5.071 2.594 1.00 0.00 H new ATOM 0 HD23 LEU A 93 10.638 5.374 3.223 1.00 0.00 H new ATOM 1398 N LYS A 94 8.607 3.867 2.454 1.00 0.00 N ATOM 1399 CA LYS A 94 7.741 5.043 2.135 1.00 0.00 C ATOM 1400 C LYS A 94 6.316 4.801 2.636 1.00 0.00 C ATOM 1401 O LYS A 94 5.696 5.660 3.233 1.00 0.00 O ATOM 1402 CB LYS A 94 7.703 5.248 0.619 1.00 0.00 C ATOM 1403 CG LYS A 94 9.042 5.806 0.135 1.00 0.00 C ATOM 1404 CD LYS A 94 9.014 5.957 -1.391 1.00 0.00 C ATOM 1405 CE LYS A 94 10.300 6.644 -1.860 1.00 0.00 C ATOM 1406 NZ LYS A 94 10.357 6.635 -3.348 1.00 0.00 N ATOM 0 H LYS A 94 8.937 3.341 1.645 1.00 0.00 H new ATOM 0 HA LYS A 94 8.152 5.926 2.625 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.492 4.302 0.121 1.00 0.00 H new ATOM 0 HB3 LYS A 94 6.897 5.933 0.356 1.00 0.00 H new ATOM 0 HG2 LYS A 94 9.236 6.771 0.603 1.00 0.00 H new ATOM 0 HG3 LYS A 94 9.853 5.140 0.430 1.00 0.00 H new ATOM 0 HD2 LYS A 94 8.919 4.979 -1.862 1.00 0.00 H new ATOM 0 HD3 LYS A 94 8.145 6.542 -1.693 1.00 0.00 H new ATOM 0 HE2 LYS A 94 10.332 7.669 -1.491 1.00 0.00 H new ATOM 0 HE3 LYS A 94 11.169 6.130 -1.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 11.231 7.102 -3.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 10.346 5.653 -3.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 9.534 7.144 -3.730 1.00 0.00 H new ATOM 1420 N THR A 95 5.788 3.636 2.388 1.00 0.00 N ATOM 1421 CA THR A 95 4.399 3.332 2.841 1.00 0.00 C ATOM 1422 C THR A 95 4.359 3.272 4.366 1.00 0.00 C ATOM 1423 O THR A 95 3.446 3.764 4.999 1.00 0.00 O ATOM 1424 CB THR A 95 3.962 1.980 2.264 1.00 0.00 C ATOM 1425 OG1 THR A 95 4.980 1.022 2.506 1.00 0.00 O ATOM 1426 CG2 THR A 95 3.725 2.107 0.758 1.00 0.00 C ATOM 0 H THR A 95 6.257 2.879 1.891 1.00 0.00 H new ATOM 0 HA THR A 95 3.724 4.114 2.493 1.00 0.00 H new ATOM 0 HB THR A 95 3.035 1.664 2.743 1.00 0.00 H new ATOM 0 HG1 THR A 95 5.545 0.936 1.710 1.00 0.00 H new ATOM 0 HG21 THR A 95 3.415 1.142 0.356 1.00 0.00 H new ATOM 0 HG22 THR A 95 2.944 2.845 0.573 1.00 0.00 H new ATOM 0 HG23 THR A 95 4.647 2.424 0.270 1.00 0.00 H new ATOM 1434 N ARG A 96 5.348 2.674 4.963 1.00 0.00 N ATOM 1435 CA ARG A 96 5.379 2.580 6.450 1.00 0.00 C ATOM 1436 C ARG A 96 5.495 3.979 7.052 1.00 0.00 C ATOM 1437 O ARG A 96 4.825 4.318 8.008 1.00 0.00 O ATOM 1438 CB ARG A 96 6.596 1.748 6.868 1.00 0.00 C ATOM 1439 CG ARG A 96 6.378 0.260 6.509 1.00 0.00 C ATOM 1440 CD ARG A 96 5.795 -0.488 7.715 1.00 0.00 C ATOM 1441 NE ARG A 96 4.474 0.103 8.081 1.00 0.00 N ATOM 1442 CZ ARG A 96 3.383 -0.281 7.473 1.00 0.00 C ATOM 1443 NH1 ARG A 96 3.435 -1.184 6.532 1.00 0.00 N ATOM 1444 NH2 ARG A 96 2.238 0.246 7.806 1.00 0.00 N ATOM 0 H ARG A 96 6.140 2.244 4.485 1.00 0.00 H new ATOM 0 HA ARG A 96 4.463 2.110 6.807 1.00 0.00 H new ATOM 0 HB2 ARG A 96 7.490 2.122 6.369 1.00 0.00 H new ATOM 0 HB3 ARG A 96 6.764 1.850 7.940 1.00 0.00 H new ATOM 0 HG2 ARG A 96 5.702 0.177 5.658 1.00 0.00 H new ATOM 0 HG3 ARG A 96 7.323 -0.194 6.211 1.00 0.00 H new ATOM 0 HD2 ARG A 96 5.678 -1.545 7.478 1.00 0.00 H new ATOM 0 HD3 ARG A 96 6.480 -0.425 8.561 1.00 0.00 H new ATOM 0 HE ARG A 96 4.423 0.813 8.812 1.00 0.00 H new ATOM 0 HH11 ARG A 96 4.331 -1.594 6.268 1.00 0.00 H new ATOM 0 HH12 ARG A 96 2.580 -1.480 6.061 1.00 0.00 H new ATOM 0 HH21 ARG A 96 2.197 0.955 8.538 1.00 0.00 H new ATOM 0 HH22 ARG A 96 1.384 -0.051 7.334 1.00 0.00 H new ATOM 1458 N ALA A 97 6.344 4.792 6.496 1.00 0.00 N ATOM 1459 CA ALA A 97 6.511 6.175 7.022 1.00 0.00 C ATOM 1460 C ALA A 97 5.252 6.985 6.715 1.00 0.00 C ATOM 1461 O ALA A 97 4.780 7.764 7.520 1.00 0.00 O ATOM 1462 CB ALA A 97 7.717 6.826 6.346 1.00 0.00 C ATOM 0 H ALA A 97 6.933 4.559 5.696 1.00 0.00 H new ATOM 0 HA ALA A 97 6.670 6.146 8.100 1.00 0.00 H new ATOM 0 HB1 ALA A 97 7.845 7.839 6.727 1.00 0.00 H new ATOM 0 HB2 ALA A 97 8.613 6.243 6.559 1.00 0.00 H new ATOM 0 HB3 ALA A 97 7.555 6.861 5.269 1.00 0.00 H new