USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 576 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 103 THR OG1 : rot 170:sc= -0.619 USER MOD Set 1.2: A 106 GLN : amide:sc= -0.68 K(o=-1.3,f=-5.2!) USER MOD Set 2.1: A 84 ASN :FLIP amide:sc= -1.27 F(o=-2.3,f=-1.7) USER MOD Set 2.2: A 99 GLN :FLIP amide:sc= -0.457 F(o=-2.3,f=-1.7) USER MOD Set 3.1: A 34 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 26:sc= 0.0282 USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 47 HIS : no HD1:sc=-0.00685 X(o=-0.0068,f=-0.097) USER MOD Single : A 61 SER OG : rot 24:sc= -1.08! USER MOD Single : A 68 SER OG : rot -160:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= -7.11! C(o=-7.1!,f=-21!) USER MOD Single : A 80 HIS : no HD1:sc= -0.0762 X(o=-0.076,f=0) USER MOD Single : A 86 CYS SG : rot -54:sc= -0.531 USER MOD Single : A 93 HIS : no HD1:sc= -0.0973 X(o=-0.097,f=0.0081) USER MOD Single : A 95 HIS : no HD1:sc= -0.03 X(o=-0.03,f=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 THR OG1 : rot 110:sc= -0.978 USER MOD Single : A 108 THR OG1 : rot 104:sc= 1.19 USER MOD ----------------------------------------------------------------- ATOM 427 N SER A 31 -9.826 7.902 -3.409 1.00 0.00 N ATOM 428 CA SER A 31 -11.115 7.240 -3.238 1.00 0.00 C ATOM 429 C SER A 31 -10.958 5.936 -2.464 1.00 0.00 C ATOM 430 O SER A 31 -9.952 5.239 -2.599 1.00 0.00 O ATOM 431 CB SER A 31 -11.755 6.966 -4.599 1.00 0.00 C ATOM 432 OG SER A 31 -12.032 8.173 -5.287 1.00 0.00 O ATOM 0 HA SER A 31 -11.764 7.904 -2.667 1.00 0.00 H new ATOM 0 HB2 SER A 31 -11.088 6.347 -5.199 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.678 6.402 -4.463 1.00 0.00 H new ATOM 0 HG SER A 31 -11.421 8.874 -4.977 1.00 0.00 H new ATOM 438 N ALA A 32 -11.959 5.612 -1.652 1.00 0.00 N ATOM 439 CA ALA A 32 -11.932 4.391 -0.855 1.00 0.00 C ATOM 440 C ALA A 32 -11.976 3.154 -1.746 1.00 0.00 C ATOM 441 O ALA A 32 -11.208 2.210 -1.554 1.00 0.00 O ATOM 442 CB ALA A 32 -13.093 4.377 0.127 1.00 0.00 C ATOM 0 H ALA A 32 -12.799 6.178 -1.529 1.00 0.00 H new ATOM 0 HA ALA A 32 -10.997 4.371 -0.296 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -13.061 3.460 0.715 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -13.018 5.238 0.792 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -14.034 4.423 -0.421 1.00 0.00 H new ATOM 448 N ASP A 33 -12.879 3.164 -2.721 1.00 0.00 N ATOM 449 CA ASP A 33 -13.022 2.043 -3.642 1.00 0.00 C ATOM 450 C ASP A 33 -11.748 1.843 -4.457 1.00 0.00 C ATOM 451 O ASP A 33 -11.410 0.719 -4.831 1.00 0.00 O ATOM 452 CB ASP A 33 -14.211 2.275 -4.577 1.00 0.00 C ATOM 453 CG ASP A 33 -15.422 1.448 -4.188 1.00 0.00 C ATOM 454 OD1 ASP A 33 -16.077 1.792 -3.182 1.00 0.00 O ATOM 455 OD2 ASP A 33 -15.714 0.456 -4.889 1.00 0.00 O ATOM 0 H ASP A 33 -13.523 3.936 -2.894 1.00 0.00 H new ATOM 0 HA ASP A 33 -13.200 1.142 -3.056 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -14.477 3.332 -4.566 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -13.920 2.030 -5.598 1.00 0.00 H new ATOM 460 N TYR A 34 -11.045 2.937 -4.727 1.00 0.00 N ATOM 461 CA TYR A 34 -9.808 2.881 -5.497 1.00 0.00 C ATOM 462 C TYR A 34 -8.767 2.018 -4.792 1.00 0.00 C ATOM 463 O TYR A 34 -8.119 1.176 -5.415 1.00 0.00 O ATOM 464 CB TYR A 34 -9.255 4.290 -5.717 1.00 0.00 C ATOM 465 CG TYR A 34 -8.005 4.325 -6.568 1.00 0.00 C ATOM 466 CD1 TYR A 34 -7.993 3.768 -7.841 1.00 0.00 C ATOM 467 CD2 TYR A 34 -6.838 4.913 -6.098 1.00 0.00 C ATOM 468 CE1 TYR A 34 -6.852 3.798 -8.621 1.00 0.00 C ATOM 469 CE2 TYR A 34 -5.694 4.947 -6.872 1.00 0.00 C ATOM 470 CZ TYR A 34 -5.707 4.388 -8.133 1.00 0.00 C ATOM 471 OH TYR A 34 -4.569 4.419 -8.906 1.00 0.00 O ATOM 0 H TYR A 34 -11.311 3.874 -4.424 1.00 0.00 H new ATOM 0 HA TYR A 34 -10.032 2.431 -6.464 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -10.023 4.903 -6.189 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -9.038 4.741 -4.749 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -8.889 3.305 -8.227 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -6.824 5.351 -5.111 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -6.858 3.361 -9.609 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -4.795 5.409 -6.492 1.00 0.00 H new ATOM 0 HH TYR A 34 -3.852 4.872 -8.415 1.00 0.00 H new ATOM 481 N LEU A 35 -8.611 2.232 -3.491 1.00 0.00 N ATOM 482 CA LEU A 35 -7.649 1.473 -2.701 1.00 0.00 C ATOM 483 C LEU A 35 -8.134 0.045 -2.475 1.00 0.00 C ATOM 484 O LEU A 35 -7.333 -0.884 -2.365 1.00 0.00 O ATOM 485 CB LEU A 35 -7.406 2.161 -1.355 1.00 0.00 C ATOM 486 CG LEU A 35 -7.172 3.670 -1.431 1.00 0.00 C ATOM 487 CD1 LEU A 35 -7.131 4.274 -0.037 1.00 0.00 C ATOM 488 CD2 LEU A 35 -5.886 3.971 -2.184 1.00 0.00 C ATOM 0 H LEU A 35 -9.139 2.925 -2.960 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.712 1.435 -3.256 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -8.264 1.974 -0.709 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -6.541 1.698 -0.879 1.00 0.00 H new ATOM 0 HG LEU A 35 -8.002 4.121 -1.975 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.964 5.349 -0.111 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -8.079 4.088 0.468 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.321 3.819 0.533 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.735 5.049 -2.229 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.045 3.508 -1.668 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.955 3.572 -3.196 1.00 0.00 H new ATOM 500 N ARG A 36 -9.451 -0.123 -2.405 1.00 0.00 N ATOM 501 CA ARG A 36 -10.043 -1.439 -2.192 1.00 0.00 C ATOM 502 C ARG A 36 -9.805 -2.345 -3.395 1.00 0.00 C ATOM 503 O ARG A 36 -9.185 -3.403 -3.276 1.00 0.00 O ATOM 504 CB ARG A 36 -11.543 -1.308 -1.927 1.00 0.00 C ATOM 505 CG ARG A 36 -12.221 -2.629 -1.598 1.00 0.00 C ATOM 506 CD ARG A 36 -13.674 -2.635 -2.042 1.00 0.00 C ATOM 507 NE ARG A 36 -14.532 -3.344 -1.096 1.00 0.00 N ATOM 508 CZ ARG A 36 -15.753 -3.787 -1.390 1.00 0.00 C ATOM 509 NH1 ARG A 36 -16.262 -3.598 -2.601 1.00 0.00 N ATOM 510 NH2 ARG A 36 -16.467 -4.422 -0.470 1.00 0.00 N ATOM 0 H ARG A 36 -10.128 0.635 -2.493 1.00 0.00 H new ATOM 0 HA ARG A 36 -9.564 -1.889 -1.322 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.698 -0.614 -1.101 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -12.022 -0.872 -2.804 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -11.687 -3.445 -2.086 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -12.167 -2.810 -0.524 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -14.024 -1.609 -2.150 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -13.751 -3.103 -3.023 1.00 0.00 H new ATOM 0 HE ARG A 36 -14.175 -3.509 -0.155 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -15.717 -3.111 -3.313 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -17.198 -3.940 -2.820 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -16.081 -4.571 0.462 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -17.402 -4.761 -0.695 1.00 0.00 H new ATOM 524 N GLU A 37 -10.301 -1.925 -4.555 1.00 0.00 N ATOM 525 CA GLU A 37 -10.144 -2.699 -5.780 1.00 0.00 C ATOM 526 C GLU A 37 -8.668 -2.886 -6.120 1.00 0.00 C ATOM 527 O GLU A 37 -8.274 -3.910 -6.678 1.00 0.00 O ATOM 528 CB GLU A 37 -10.864 -2.009 -6.940 1.00 0.00 C ATOM 529 CG GLU A 37 -12.375 -1.975 -6.785 1.00 0.00 C ATOM 530 CD GLU A 37 -13.016 -0.847 -7.567 1.00 0.00 C ATOM 531 OE1 GLU A 37 -13.120 -0.967 -8.806 1.00 0.00 O ATOM 532 OE2 GLU A 37 -13.414 0.159 -6.941 1.00 0.00 O ATOM 0 H GLU A 37 -10.815 -1.052 -4.671 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.588 -3.681 -5.619 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.494 -0.988 -7.031 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.614 -2.522 -7.868 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -12.792 -2.926 -7.118 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -12.626 -1.869 -5.730 1.00 0.00 H new ATOM 539 N LYS A 38 -7.858 -1.888 -5.782 1.00 0.00 N ATOM 540 CA LYS A 38 -6.426 -1.944 -6.052 1.00 0.00 C ATOM 541 C LYS A 38 -5.762 -3.056 -5.247 1.00 0.00 C ATOM 542 O LYS A 38 -5.171 -3.977 -5.812 1.00 0.00 O ATOM 543 CB LYS A 38 -5.772 -0.601 -5.723 1.00 0.00 C ATOM 544 CG LYS A 38 -4.288 -0.549 -6.052 1.00 0.00 C ATOM 545 CD LYS A 38 -3.848 0.859 -6.418 1.00 0.00 C ATOM 546 CE LYS A 38 -2.334 0.962 -6.510 1.00 0.00 C ATOM 547 NZ LYS A 38 -1.906 1.893 -7.590 1.00 0.00 N ATOM 0 H LYS A 38 -8.168 -1.032 -5.322 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.290 -2.158 -7.112 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.285 0.188 -6.273 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.908 -0.390 -4.662 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.712 -0.900 -5.196 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.074 -1.225 -6.880 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.292 1.144 -7.372 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.217 1.563 -5.672 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -1.935 1.305 -5.556 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -1.913 -0.026 -6.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -0.867 1.936 -7.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -2.265 1.552 -8.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -2.286 2.842 -7.401 1.00 0.00 H new ATOM 561 N LEU A 39 -5.862 -2.965 -3.925 1.00 0.00 N ATOM 562 CA LEU A 39 -5.271 -3.964 -3.042 1.00 0.00 C ATOM 563 C LEU A 39 -5.846 -5.349 -3.323 1.00 0.00 C ATOM 564 O LEU A 39 -5.164 -6.360 -3.160 1.00 0.00 O ATOM 565 CB LEU A 39 -5.513 -3.587 -1.578 1.00 0.00 C ATOM 566 CG LEU A 39 -4.797 -2.320 -1.110 1.00 0.00 C ATOM 567 CD1 LEU A 39 -5.497 -1.729 0.105 1.00 0.00 C ATOM 568 CD2 LEU A 39 -3.339 -2.618 -0.794 1.00 0.00 C ATOM 0 H LEU A 39 -6.347 -2.209 -3.441 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.198 -3.991 -3.232 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.584 -3.459 -1.424 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.198 -4.418 -0.948 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.832 -1.587 -1.916 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.973 -0.828 0.424 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -6.526 -1.478 -0.154 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.494 -2.457 0.916 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.845 -1.705 -0.462 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.284 -3.368 -0.005 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.843 -2.995 -1.688 1.00 0.00 H new ATOM 580 N ARG A 40 -7.105 -5.386 -3.747 1.00 0.00 N ATOM 581 CA ARG A 40 -7.773 -6.647 -4.051 1.00 0.00 C ATOM 582 C ARG A 40 -7.040 -7.405 -5.143 1.00 0.00 C ATOM 583 O ARG A 40 -6.602 -8.538 -4.941 1.00 0.00 O ATOM 584 CB ARG A 40 -9.221 -6.394 -4.471 1.00 0.00 C ATOM 585 CG ARG A 40 -10.093 -7.639 -4.430 1.00 0.00 C ATOM 586 CD ARG A 40 -11.093 -7.658 -5.575 1.00 0.00 C ATOM 587 NE ARG A 40 -10.438 -7.816 -6.872 1.00 0.00 N ATOM 588 CZ ARG A 40 -11.067 -8.208 -7.977 1.00 0.00 C ATOM 589 NH1 ARG A 40 -12.366 -8.482 -7.948 1.00 0.00 N ATOM 590 NH2 ARG A 40 -10.396 -8.326 -9.114 1.00 0.00 N ATOM 0 H ARG A 40 -7.683 -4.558 -3.888 1.00 0.00 H new ATOM 0 HA ARG A 40 -7.766 -7.257 -3.148 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -9.653 -5.636 -3.817 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.231 -5.986 -5.482 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.463 -8.527 -4.481 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -10.626 -7.680 -3.480 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -11.801 -8.473 -5.425 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -11.668 -6.732 -5.570 1.00 0.00 H new ATOM 0 HE ARG A 40 -9.440 -7.614 -6.934 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -12.887 -8.392 -7.076 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -12.843 -8.782 -8.798 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.398 -8.116 -9.141 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -10.877 -8.626 -9.962 1.00 0.00 H new ATOM 604 N GLN A 41 -6.914 -6.779 -6.300 1.00 0.00 N ATOM 605 CA GLN A 41 -6.238 -7.405 -7.423 1.00 0.00 C ATOM 606 C GLN A 41 -4.725 -7.401 -7.225 1.00 0.00 C ATOM 607 O GLN A 41 -4.044 -8.371 -7.555 1.00 0.00 O ATOM 608 CB GLN A 41 -6.600 -6.696 -8.729 1.00 0.00 C ATOM 609 CG GLN A 41 -6.132 -5.250 -8.785 1.00 0.00 C ATOM 610 CD GLN A 41 -6.739 -4.486 -9.945 1.00 0.00 C ATOM 611 OE1 GLN A 41 -7.475 -5.048 -10.758 1.00 0.00 O ATOM 612 NE2 GLN A 41 -6.433 -3.196 -10.029 1.00 0.00 N ATOM 0 H GLN A 41 -7.269 -5.841 -6.486 1.00 0.00 H new ATOM 0 HA GLN A 41 -6.572 -8.441 -7.480 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.162 -7.244 -9.564 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.682 -6.725 -8.861 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -6.391 -4.752 -7.851 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.045 -5.226 -8.868 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.819 -2.771 -9.334 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.812 -2.630 -10.789 1.00 0.00 H new ATOM 621 N ASP A 42 -4.205 -6.303 -6.684 1.00 0.00 N ATOM 622 CA ASP A 42 -2.772 -6.176 -6.444 1.00 0.00 C ATOM 623 C ASP A 42 -2.275 -7.279 -5.515 1.00 0.00 C ATOM 624 O ASP A 42 -1.411 -8.075 -5.885 1.00 0.00 O ATOM 625 CB ASP A 42 -2.454 -4.806 -5.843 1.00 0.00 C ATOM 626 CG ASP A 42 -0.978 -4.469 -5.924 1.00 0.00 C ATOM 627 OD1 ASP A 42 -0.149 -5.398 -5.822 1.00 0.00 O ATOM 628 OD2 ASP A 42 -0.649 -3.275 -6.089 1.00 0.00 O ATOM 0 H ASP A 42 -4.754 -5.490 -6.404 1.00 0.00 H new ATOM 0 HA ASP A 42 -2.259 -6.274 -7.401 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -3.028 -4.041 -6.365 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -2.772 -4.787 -4.801 1.00 0.00 H new ATOM 633 N LEU A 43 -2.828 -7.322 -4.307 1.00 0.00 N ATOM 634 CA LEU A 43 -2.442 -8.330 -3.325 1.00 0.00 C ATOM 635 C LEU A 43 -3.132 -9.664 -3.603 1.00 0.00 C ATOM 636 O LEU A 43 -2.699 -10.708 -3.113 1.00 0.00 O ATOM 637 CB LEU A 43 -2.785 -7.852 -1.912 1.00 0.00 C ATOM 638 CG LEU A 43 -2.018 -6.615 -1.442 1.00 0.00 C ATOM 639 CD1 LEU A 43 -2.735 -5.952 -0.278 1.00 0.00 C ATOM 640 CD2 LEU A 43 -0.595 -6.989 -1.052 1.00 0.00 C ATOM 0 H LEU A 43 -3.544 -6.671 -3.985 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.365 -8.479 -3.403 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.853 -7.637 -1.867 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.594 -8.666 -1.213 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.974 -5.903 -2.266 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.174 -5.074 0.042 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.734 -5.650 -0.591 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.811 -6.656 0.551 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.063 -6.098 -0.720 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.619 -7.720 -0.243 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.083 -7.418 -1.913 1.00 0.00 H new ATOM 652 N GLU A 44 -4.204 -9.625 -4.390 1.00 0.00 N ATOM 653 CA GLU A 44 -4.948 -10.834 -4.728 1.00 0.00 C ATOM 654 C GLU A 44 -5.570 -11.455 -3.480 1.00 0.00 C ATOM 655 O GLU A 44 -5.068 -12.448 -2.953 1.00 0.00 O ATOM 656 CB GLU A 44 -4.034 -11.848 -5.420 1.00 0.00 C ATOM 657 CG GLU A 44 -4.081 -11.775 -6.937 1.00 0.00 C ATOM 658 CD GLU A 44 -3.764 -13.104 -7.595 1.00 0.00 C ATOM 659 OE1 GLU A 44 -2.572 -13.469 -7.650 1.00 0.00 O ATOM 660 OE2 GLU A 44 -4.708 -13.779 -8.055 1.00 0.00 O ATOM 0 H GLU A 44 -4.576 -8.771 -4.805 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.750 -10.558 -5.413 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.008 -11.685 -5.089 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.315 -12.853 -5.104 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.072 -11.446 -7.251 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -3.371 -11.024 -7.283 1.00 0.00 H new ATOM 667 N ALA A 45 -6.663 -10.862 -3.014 1.00 0.00 N ATOM 668 CA ALA A 45 -7.354 -11.355 -1.829 1.00 0.00 C ATOM 669 C ALA A 45 -8.732 -11.903 -2.183 1.00 0.00 C ATOM 670 O ALA A 45 -9.175 -11.803 -3.328 1.00 0.00 O ATOM 671 CB ALA A 45 -7.475 -10.247 -0.792 1.00 0.00 C ATOM 0 H ALA A 45 -7.090 -10.039 -3.439 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.766 -12.171 -1.409 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -7.993 -10.628 0.088 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -6.480 -9.904 -0.508 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.039 -9.415 -1.213 1.00 0.00 H new ATOM 677 N GLU A 46 -9.405 -12.482 -1.195 1.00 0.00 N ATOM 678 CA GLU A 46 -10.734 -13.046 -1.401 1.00 0.00 C ATOM 679 C GLU A 46 -11.814 -12.000 -1.146 1.00 0.00 C ATOM 680 O GLU A 46 -12.694 -11.786 -1.979 1.00 0.00 O ATOM 681 CB GLU A 46 -10.947 -14.251 -0.483 1.00 0.00 C ATOM 682 CG GLU A 46 -10.208 -15.499 -0.936 1.00 0.00 C ATOM 683 CD GLU A 46 -10.954 -16.259 -2.016 1.00 0.00 C ATOM 684 OE1 GLU A 46 -11.499 -15.608 -2.931 1.00 0.00 O ATOM 685 OE2 GLU A 46 -10.991 -17.506 -1.946 1.00 0.00 O ATOM 0 H GLU A 46 -9.052 -12.573 -0.242 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.807 -13.371 -2.439 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -10.621 -13.992 0.524 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -12.013 -14.470 -0.427 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.223 -15.218 -1.309 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.050 -16.154 -0.079 1.00 0.00 H new ATOM 692 N HIS A 47 -11.740 -11.350 0.011 1.00 0.00 N ATOM 693 CA HIS A 47 -12.711 -10.325 0.375 1.00 0.00 C ATOM 694 C HIS A 47 -12.014 -9.098 0.957 1.00 0.00 C ATOM 695 O HIS A 47 -11.320 -9.188 1.970 1.00 0.00 O ATOM 696 CB HIS A 47 -13.715 -10.882 1.386 1.00 0.00 C ATOM 697 CG HIS A 47 -14.930 -11.484 0.752 1.00 0.00 C ATOM 698 ND1 HIS A 47 -15.777 -10.776 -0.076 1.00 0.00 N ATOM 699 CD2 HIS A 47 -15.442 -12.735 0.827 1.00 0.00 C ATOM 700 CE1 HIS A 47 -16.755 -11.566 -0.482 1.00 0.00 C ATOM 701 NE2 HIS A 47 -16.575 -12.759 0.051 1.00 0.00 N ATOM 0 H HIS A 47 -11.018 -11.515 0.712 1.00 0.00 H new ATOM 0 HA HIS A 47 -13.242 -10.025 -0.528 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -13.222 -11.638 1.997 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -14.024 -10.081 2.058 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -15.035 -13.561 1.392 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -17.564 -11.283 -1.139 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -17.179 -13.568 -0.090 1.00 0.00 H new ATOM 710 N VAL A 48 -12.203 -7.954 0.308 1.00 0.00 N ATOM 711 CA VAL A 48 -11.592 -6.710 0.760 1.00 0.00 C ATOM 712 C VAL A 48 -12.653 -5.695 1.170 1.00 0.00 C ATOM 713 O VAL A 48 -13.780 -5.723 0.676 1.00 0.00 O ATOM 714 CB VAL A 48 -10.703 -6.090 -0.334 1.00 0.00 C ATOM 715 CG1 VAL A 48 -9.492 -6.971 -0.600 1.00 0.00 C ATOM 716 CG2 VAL A 48 -11.501 -5.869 -1.610 1.00 0.00 C ATOM 0 H VAL A 48 -12.774 -7.863 -0.532 1.00 0.00 H new ATOM 0 HA VAL A 48 -10.974 -6.957 1.623 1.00 0.00 H new ATOM 0 HB VAL A 48 -10.349 -5.121 0.017 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -8.875 -6.517 -1.376 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -8.908 -7.073 0.315 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -9.824 -7.956 -0.930 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -10.856 -5.430 -2.371 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -11.887 -6.824 -1.968 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -12.333 -5.195 -1.407 1.00 0.00 H new ATOM 726 N GLU A 49 -12.284 -4.796 2.079 1.00 0.00 N ATOM 727 CA GLU A 49 -13.204 -3.770 2.557 1.00 0.00 C ATOM 728 C GLU A 49 -12.469 -2.458 2.810 1.00 0.00 C ATOM 729 O GLU A 49 -11.318 -2.454 3.248 1.00 0.00 O ATOM 730 CB GLU A 49 -13.899 -4.234 3.838 1.00 0.00 C ATOM 731 CG GLU A 49 -15.191 -4.994 3.587 1.00 0.00 C ATOM 732 CD GLU A 49 -16.255 -4.693 4.625 1.00 0.00 C ATOM 733 OE1 GLU A 49 -16.092 -5.130 5.784 1.00 0.00 O ATOM 734 OE2 GLU A 49 -17.248 -4.021 4.280 1.00 0.00 O ATOM 0 H GLU A 49 -11.355 -4.758 2.498 1.00 0.00 H new ATOM 0 HA GLU A 49 -13.956 -3.603 1.785 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -13.217 -4.870 4.402 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -14.113 -3.365 4.461 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -15.571 -4.740 2.598 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -14.984 -6.064 3.584 1.00 0.00 H new ATOM 741 N VAL A 50 -13.140 -1.345 2.529 1.00 0.00 N ATOM 742 CA VAL A 50 -12.550 -0.027 2.727 1.00 0.00 C ATOM 743 C VAL A 50 -13.450 0.855 3.588 1.00 0.00 C ATOM 744 O VAL A 50 -14.653 0.616 3.694 1.00 0.00 O ATOM 745 CB VAL A 50 -12.287 0.678 1.381 1.00 0.00 C ATOM 746 CG1 VAL A 50 -13.588 0.889 0.622 1.00 0.00 C ATOM 747 CG2 VAL A 50 -11.566 2.000 1.599 1.00 0.00 C ATOM 0 H VAL A 50 -14.092 -1.330 2.164 1.00 0.00 H new ATOM 0 HA VAL A 50 -11.600 -0.178 3.240 1.00 0.00 H new ATOM 0 HB VAL A 50 -11.644 0.037 0.778 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -13.380 1.388 -0.325 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -14.057 -0.076 0.429 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -14.261 1.506 1.217 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -11.390 2.481 0.637 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -12.179 2.650 2.223 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -10.612 1.817 2.093 1.00 0.00 H new ATOM 757 N GLU A 51 -12.858 1.875 4.201 1.00 0.00 N ATOM 758 CA GLU A 51 -13.605 2.793 5.052 1.00 0.00 C ATOM 759 C GLU A 51 -13.111 4.224 4.874 1.00 0.00 C ATOM 760 O GLU A 51 -12.057 4.460 4.285 1.00 0.00 O ATOM 761 CB GLU A 51 -13.482 2.376 6.519 1.00 0.00 C ATOM 762 CG GLU A 51 -14.749 2.611 7.326 1.00 0.00 C ATOM 763 CD GLU A 51 -15.519 1.330 7.587 1.00 0.00 C ATOM 764 OE1 GLU A 51 -14.876 0.268 7.718 1.00 0.00 O ATOM 765 OE2 GLU A 51 -16.764 1.391 7.660 1.00 0.00 O ATOM 0 H GLU A 51 -11.863 2.086 4.124 1.00 0.00 H new ATOM 0 HA GLU A 51 -14.653 2.751 4.757 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -13.221 1.319 6.567 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -12.661 2.928 6.977 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -14.489 3.075 8.278 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -15.390 3.314 6.794 1.00 0.00 H new ATOM 772 N ASP A 52 -13.883 5.175 5.386 1.00 0.00 N ATOM 773 CA ASP A 52 -13.529 6.585 5.283 1.00 0.00 C ATOM 774 C ASP A 52 -14.072 7.369 6.474 1.00 0.00 C ATOM 775 O ASP A 52 -15.206 7.158 6.904 1.00 0.00 O ATOM 776 CB ASP A 52 -14.072 7.166 3.974 1.00 0.00 C ATOM 777 CG ASP A 52 -13.813 8.655 3.843 1.00 0.00 C ATOM 778 OD1 ASP A 52 -12.783 9.127 4.371 1.00 0.00 O ATOM 779 OD2 ASP A 52 -14.638 9.349 3.212 1.00 0.00 O ATOM 0 H ASP A 52 -14.759 4.995 5.877 1.00 0.00 H new ATOM 0 HA ASP A 52 -12.442 6.670 5.287 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -13.614 6.646 3.133 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -15.145 6.981 3.917 1.00 0.00 H new ATOM 904 N SER A 61 -9.172 10.520 6.050 1.00 0.00 N ATOM 905 CA SER A 61 -8.749 9.235 6.595 1.00 0.00 C ATOM 906 C SER A 61 -9.466 8.085 5.896 1.00 0.00 C ATOM 907 O SER A 61 -10.582 8.245 5.402 1.00 0.00 O ATOM 908 CB SER A 61 -9.021 9.183 8.100 1.00 0.00 C ATOM 909 OG SER A 61 -8.453 10.299 8.762 1.00 0.00 O ATOM 0 HA SER A 61 -7.678 9.129 6.422 1.00 0.00 H new ATOM 0 HB2 SER A 61 -10.096 9.160 8.277 1.00 0.00 H new ATOM 0 HB3 SER A 61 -8.610 8.263 8.515 1.00 0.00 H new ATOM 0 HG SER A 61 -8.353 11.039 8.128 1.00 0.00 H new ATOM 915 N PHE A 62 -8.818 6.926 5.859 1.00 0.00 N ATOM 916 CA PHE A 62 -9.395 5.748 5.220 1.00 0.00 C ATOM 917 C PHE A 62 -8.904 4.469 5.890 1.00 0.00 C ATOM 918 O PHE A 62 -7.758 4.387 6.333 1.00 0.00 O ATOM 919 CB PHE A 62 -9.041 5.726 3.732 1.00 0.00 C ATOM 920 CG PHE A 62 -9.669 6.844 2.948 1.00 0.00 C ATOM 921 CD1 PHE A 62 -10.939 6.704 2.412 1.00 0.00 C ATOM 922 CD2 PHE A 62 -8.988 8.035 2.748 1.00 0.00 C ATOM 923 CE1 PHE A 62 -11.519 7.730 1.692 1.00 0.00 C ATOM 924 CE2 PHE A 62 -9.563 9.064 2.027 1.00 0.00 C ATOM 925 CZ PHE A 62 -10.830 8.912 1.498 1.00 0.00 C ATOM 0 H PHE A 62 -7.894 6.777 6.263 1.00 0.00 H new ATOM 0 HA PHE A 62 -10.478 5.800 5.329 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -7.958 5.781 3.624 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -9.356 4.773 3.306 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -11.482 5.782 2.559 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -7.998 8.160 3.160 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -12.510 7.609 1.281 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -9.022 9.987 1.877 1.00 0.00 H new ATOM 0 HZ PHE A 62 -11.281 9.715 0.934 1.00 0.00 H new ATOM 935 N ARG A 63 -9.779 3.471 5.959 1.00 0.00 N ATOM 936 CA ARG A 63 -9.437 2.193 6.574 1.00 0.00 C ATOM 937 C ARG A 63 -9.479 1.068 5.545 1.00 0.00 C ATOM 938 O ARG A 63 -10.518 0.809 4.936 1.00 0.00 O ATOM 939 CB ARG A 63 -10.397 1.885 7.724 1.00 0.00 C ATOM 940 CG ARG A 63 -9.736 1.163 8.889 1.00 0.00 C ATOM 941 CD ARG A 63 -9.638 2.055 10.116 1.00 0.00 C ATOM 942 NE ARG A 63 -9.864 1.312 11.354 1.00 0.00 N ATOM 943 CZ ARG A 63 -11.021 0.738 11.674 1.00 0.00 C ATOM 944 NH1 ARG A 63 -12.060 0.819 10.851 1.00 0.00 N ATOM 945 NH2 ARG A 63 -11.141 0.079 12.818 1.00 0.00 N ATOM 0 H ARG A 63 -10.731 3.523 5.596 1.00 0.00 H new ATOM 0 HA ARG A 63 -8.423 2.265 6.967 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -10.831 2.818 8.084 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -11.218 1.275 7.348 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -10.307 0.267 9.134 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -8.739 0.835 8.596 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -8.653 2.521 10.148 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -10.369 2.860 10.038 1.00 0.00 H new ATOM 0 HE ARG A 63 -9.089 1.228 12.012 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -11.973 1.323 9.969 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -12.945 0.377 11.101 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -10.346 0.012 13.454 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -12.028 -0.361 13.063 1.00 0.00 H new ATOM 959 N VAL A 64 -8.344 0.404 5.355 1.00 0.00 N ATOM 960 CA VAL A 64 -8.252 -0.693 4.398 1.00 0.00 C ATOM 961 C VAL A 64 -8.303 -2.044 5.103 1.00 0.00 C ATOM 962 O VAL A 64 -7.644 -2.250 6.121 1.00 0.00 O ATOM 963 CB VAL A 64 -6.958 -0.608 3.570 1.00 0.00 C ATOM 964 CG1 VAL A 64 -6.966 0.632 2.690 1.00 0.00 C ATOM 965 CG2 VAL A 64 -5.739 -0.618 4.479 1.00 0.00 C ATOM 0 H VAL A 64 -7.476 0.606 5.850 1.00 0.00 H new ATOM 0 HA VAL A 64 -9.109 -0.602 3.730 1.00 0.00 H new ATOM 0 HB VAL A 64 -6.906 -1.483 2.923 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -6.043 0.674 2.112 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -7.817 0.591 2.011 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -7.044 1.521 3.315 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -4.834 -0.557 3.875 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -5.782 0.236 5.155 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -5.726 -1.540 5.060 1.00 0.00 H new ATOM 975 N LEU A 65 -9.090 -2.962 4.552 1.00 0.00 N ATOM 976 CA LEU A 65 -9.228 -4.296 5.126 1.00 0.00 C ATOM 977 C LEU A 65 -9.106 -5.367 4.045 1.00 0.00 C ATOM 978 O LEU A 65 -9.631 -5.211 2.943 1.00 0.00 O ATOM 979 CB LEU A 65 -10.572 -4.429 5.844 1.00 0.00 C ATOM 980 CG LEU A 65 -10.670 -5.598 6.826 1.00 0.00 C ATOM 981 CD1 LEU A 65 -10.659 -6.925 6.081 1.00 0.00 C ATOM 982 CD2 LEU A 65 -9.532 -5.542 7.834 1.00 0.00 C ATOM 0 H LEU A 65 -9.642 -2.807 3.709 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.424 -4.440 5.848 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -10.771 -3.503 6.384 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -11.357 -4.537 5.096 1.00 0.00 H new ATOM 0 HG LEU A 65 -11.613 -5.516 7.366 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -10.729 -7.744 6.796 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -11.507 -6.966 5.398 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -9.732 -7.017 5.515 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -9.617 -6.381 8.525 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -8.578 -5.599 7.309 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -9.585 -4.606 8.391 1.00 0.00 H new ATOM 994 N VAL A 66 -8.410 -6.451 4.369 1.00 0.00 N ATOM 995 CA VAL A 66 -8.220 -7.545 3.426 1.00 0.00 C ATOM 996 C VAL A 66 -8.225 -8.894 4.137 1.00 0.00 C ATOM 997 O VAL A 66 -7.691 -9.028 5.239 1.00 0.00 O ATOM 998 CB VAL A 66 -6.901 -7.394 2.647 1.00 0.00 C ATOM 999 CG1 VAL A 66 -6.815 -8.424 1.532 1.00 0.00 C ATOM 1000 CG2 VAL A 66 -6.767 -5.984 2.092 1.00 0.00 C ATOM 0 H VAL A 66 -7.969 -6.595 5.277 1.00 0.00 H new ATOM 0 HA VAL A 66 -9.054 -7.504 2.725 1.00 0.00 H new ATOM 0 HB VAL A 66 -6.074 -7.570 3.335 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -5.875 -8.300 0.994 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.860 -9.426 1.958 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.648 -8.285 0.843 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.829 -5.896 1.544 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -7.600 -5.777 1.420 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -6.776 -5.267 2.913 1.00 0.00 H new ATOM 1010 N VAL A 67 -8.828 -9.892 3.499 1.00 0.00 N ATOM 1011 CA VAL A 67 -8.900 -11.232 4.068 1.00 0.00 C ATOM 1012 C VAL A 67 -8.532 -12.289 3.031 1.00 0.00 C ATOM 1013 O VAL A 67 -9.181 -12.404 1.992 1.00 0.00 O ATOM 1014 CB VAL A 67 -10.309 -11.535 4.614 1.00 0.00 C ATOM 1015 CG1 VAL A 67 -10.321 -12.861 5.360 1.00 0.00 C ATOM 1016 CG2 VAL A 67 -10.787 -10.406 5.514 1.00 0.00 C ATOM 0 H VAL A 67 -9.274 -9.797 2.587 1.00 0.00 H new ATOM 0 HA VAL A 67 -8.184 -11.266 4.889 1.00 0.00 H new ATOM 0 HB VAL A 67 -10.995 -11.613 3.771 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -11.325 -13.057 5.738 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -10.025 -13.662 4.683 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.622 -12.815 6.195 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -11.784 -10.638 5.890 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -10.100 -10.293 6.353 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -10.821 -9.477 4.945 1.00 0.00 H new ATOM 1026 N SER A 68 -7.486 -13.056 3.322 1.00 0.00 N ATOM 1027 CA SER A 68 -7.033 -14.102 2.412 1.00 0.00 C ATOM 1028 C SER A 68 -5.878 -14.892 3.020 1.00 0.00 C ATOM 1029 O SER A 68 -5.392 -14.565 4.103 1.00 0.00 O ATOM 1030 CB SER A 68 -6.601 -13.494 1.076 1.00 0.00 C ATOM 1031 OG SER A 68 -6.727 -14.434 0.023 1.00 0.00 O ATOM 0 H SER A 68 -6.938 -12.973 4.178 1.00 0.00 H new ATOM 0 HA SER A 68 -7.866 -14.784 2.241 1.00 0.00 H new ATOM 0 HB2 SER A 68 -7.210 -12.616 0.859 1.00 0.00 H new ATOM 0 HB3 SER A 68 -5.567 -13.156 1.144 1.00 0.00 H new ATOM 0 HG SER A 68 -6.169 -14.155 -0.733 1.00 0.00 H new ATOM 1037 N ALA A 69 -5.445 -15.932 2.316 1.00 0.00 N ATOM 1038 CA ALA A 69 -4.348 -16.770 2.784 1.00 0.00 C ATOM 1039 C ALA A 69 -3.003 -16.257 2.278 1.00 0.00 C ATOM 1040 O ALA A 69 -1.958 -16.551 2.860 1.00 0.00 O ATOM 1041 CB ALA A 69 -4.562 -18.211 2.346 1.00 0.00 C ATOM 0 H ALA A 69 -5.838 -16.215 1.418 1.00 0.00 H new ATOM 0 HA ALA A 69 -4.334 -16.728 3.873 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.736 -18.826 2.702 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -5.497 -18.583 2.764 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.607 -18.258 1.258 1.00 0.00 H new ATOM 1047 N LYS A 70 -3.033 -15.489 1.191 1.00 0.00 N ATOM 1048 CA LYS A 70 -1.813 -14.937 0.609 1.00 0.00 C ATOM 1049 C LYS A 70 -1.000 -14.180 1.656 1.00 0.00 C ATOM 1050 O LYS A 70 0.230 -14.166 1.611 1.00 0.00 O ATOM 1051 CB LYS A 70 -2.156 -14.007 -0.556 1.00 0.00 C ATOM 1052 CG LYS A 70 -0.990 -13.760 -1.501 1.00 0.00 C ATOM 1053 CD LYS A 70 -0.536 -12.309 -1.464 1.00 0.00 C ATOM 1054 CE LYS A 70 -0.005 -11.856 -2.814 1.00 0.00 C ATOM 1055 NZ LYS A 70 1.418 -12.245 -3.010 1.00 0.00 N ATOM 0 H LYS A 70 -3.888 -15.235 0.696 1.00 0.00 H new ATOM 0 HA LYS A 70 -1.210 -15.767 0.240 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.985 -14.435 -1.119 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.500 -13.052 -0.159 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -0.157 -14.409 -1.230 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -1.282 -14.024 -2.517 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -1.371 -11.673 -1.168 1.00 0.00 H new ATOM 0 HD3 LYS A 70 0.240 -12.189 -0.708 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -0.613 -12.291 -3.608 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -0.100 -10.773 -2.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 1.742 -11.918 -3.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 2.002 -11.810 -2.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 1.505 -13.280 -2.957 1.00 0.00 H new ATOM 1069 N PHE A 71 -1.696 -13.554 2.599 1.00 0.00 N ATOM 1070 CA PHE A 71 -1.040 -12.797 3.658 1.00 0.00 C ATOM 1071 C PHE A 71 -0.425 -13.732 4.694 1.00 0.00 C ATOM 1072 O PHE A 71 0.583 -13.404 5.321 1.00 0.00 O ATOM 1073 CB PHE A 71 -2.038 -11.855 4.334 1.00 0.00 C ATOM 1074 CG PHE A 71 -2.109 -10.497 3.695 1.00 0.00 C ATOM 1075 CD1 PHE A 71 -0.953 -9.792 3.405 1.00 0.00 C ATOM 1076 CD2 PHE A 71 -3.334 -9.928 3.386 1.00 0.00 C ATOM 1077 CE1 PHE A 71 -1.016 -8.543 2.818 1.00 0.00 C ATOM 1078 CE2 PHE A 71 -3.403 -8.678 2.797 1.00 0.00 C ATOM 1079 CZ PHE A 71 -2.242 -7.985 2.513 1.00 0.00 C ATOM 0 H PHE A 71 -2.715 -13.556 2.651 1.00 0.00 H new ATOM 0 HA PHE A 71 -0.242 -12.207 3.207 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -3.028 -12.311 4.311 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -1.764 -11.740 5.383 1.00 0.00 H new ATOM 0 HD1 PHE A 71 0.009 -10.223 3.640 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -4.244 -10.466 3.607 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -0.107 -8.003 2.598 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -4.363 -8.244 2.560 1.00 0.00 H new ATOM 0 HZ PHE A 71 -2.293 -7.009 2.053 1.00 0.00 H new ATOM 1089 N GLU A 72 -1.037 -14.899 4.868 1.00 0.00 N ATOM 1090 CA GLU A 72 -0.550 -15.883 5.828 1.00 0.00 C ATOM 1091 C GLU A 72 0.843 -16.373 5.446 1.00 0.00 C ATOM 1092 O GLU A 72 1.689 -16.604 6.310 1.00 0.00 O ATOM 1093 CB GLU A 72 -1.519 -17.065 5.906 1.00 0.00 C ATOM 1094 CG GLU A 72 -2.397 -17.050 7.146 1.00 0.00 C ATOM 1095 CD GLU A 72 -1.690 -17.601 8.368 1.00 0.00 C ATOM 1096 OE1 GLU A 72 -1.445 -18.825 8.411 1.00 0.00 O ATOM 1097 OE2 GLU A 72 -1.381 -16.808 9.282 1.00 0.00 O ATOM 0 H GLU A 72 -1.871 -15.186 4.356 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.489 -15.405 6.806 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -2.155 -17.062 5.021 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -0.949 -17.994 5.886 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -2.718 -16.028 7.347 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -3.297 -17.635 6.957 1.00 0.00 H new ATOM 1104 N GLY A 73 1.076 -16.528 4.146 1.00 0.00 N ATOM 1105 CA GLY A 73 2.368 -16.990 3.675 1.00 0.00 C ATOM 1106 C GLY A 73 3.502 -16.078 4.101 1.00 0.00 C ATOM 1107 O GLY A 73 4.469 -16.526 4.716 1.00 0.00 O ATOM 0 H GLY A 73 0.393 -16.342 3.411 1.00 0.00 H new ATOM 0 HA2 GLY A 73 2.552 -17.995 4.056 1.00 0.00 H new ATOM 0 HA3 GLY A 73 2.351 -17.059 2.587 1.00 0.00 H new ATOM 1111 N LYS A 74 3.382 -14.795 3.774 1.00 0.00 N ATOM 1112 CA LYS A 74 4.405 -13.818 4.127 1.00 0.00 C ATOM 1113 C LYS A 74 4.296 -13.423 5.599 1.00 0.00 C ATOM 1114 O LYS A 74 3.237 -13.562 6.209 1.00 0.00 O ATOM 1115 CB LYS A 74 4.279 -12.576 3.244 1.00 0.00 C ATOM 1116 CG LYS A 74 4.769 -12.789 1.820 1.00 0.00 C ATOM 1117 CD LYS A 74 5.338 -11.510 1.230 1.00 0.00 C ATOM 1118 CE LYS A 74 5.371 -11.564 -0.288 1.00 0.00 C ATOM 1119 NZ LYS A 74 6.544 -12.332 -0.792 1.00 0.00 N ATOM 0 H LYS A 74 2.587 -14.408 3.265 1.00 0.00 H new ATOM 0 HA LYS A 74 5.381 -14.275 3.963 1.00 0.00 H new ATOM 0 HB2 LYS A 74 3.235 -12.264 3.217 1.00 0.00 H new ATOM 0 HB3 LYS A 74 4.844 -11.761 3.696 1.00 0.00 H new ATOM 0 HG2 LYS A 74 5.532 -13.567 1.809 1.00 0.00 H new ATOM 0 HG3 LYS A 74 3.945 -13.142 1.200 1.00 0.00 H new ATOM 0 HD2 LYS A 74 4.736 -10.660 1.552 1.00 0.00 H new ATOM 0 HD3 LYS A 74 6.346 -11.349 1.611 1.00 0.00 H new ATOM 0 HE2 LYS A 74 4.453 -12.022 -0.655 1.00 0.00 H new ATOM 0 HE3 LYS A 74 5.403 -10.550 -0.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 6.530 -12.345 -1.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 7.422 -11.881 -0.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 6.501 -13.307 -0.433 1.00 0.00 H new ATOM 1133 N PRO A 75 5.396 -12.925 6.189 1.00 0.00 N ATOM 1134 CA PRO A 75 5.418 -12.509 7.595 1.00 0.00 C ATOM 1135 C PRO A 75 4.525 -11.301 7.856 1.00 0.00 C ATOM 1136 O PRO A 75 3.763 -10.881 6.985 1.00 0.00 O ATOM 1137 CB PRO A 75 6.887 -12.152 7.843 1.00 0.00 C ATOM 1138 CG PRO A 75 7.438 -11.838 6.495 1.00 0.00 C ATOM 1139 CD PRO A 75 6.700 -12.726 5.532 1.00 0.00 C ATOM 0 HA PRO A 75 5.041 -13.291 8.254 1.00 0.00 H new ATOM 0 HB2 PRO A 75 6.978 -11.299 8.516 1.00 0.00 H new ATOM 0 HB3 PRO A 75 7.422 -12.981 8.305 1.00 0.00 H new ATOM 0 HG2 PRO A 75 7.291 -10.787 6.248 1.00 0.00 H new ATOM 0 HG3 PRO A 75 8.511 -12.027 6.458 1.00 0.00 H new ATOM 0 HD2 PRO A 75 6.591 -12.257 4.554 1.00 0.00 H new ATOM 0 HD3 PRO A 75 7.221 -13.671 5.376 1.00 0.00 H new ATOM 1147 N LEU A 76 4.625 -10.747 9.060 1.00 0.00 N ATOM 1148 CA LEU A 76 3.825 -9.586 9.435 1.00 0.00 C ATOM 1149 C LEU A 76 4.409 -8.307 8.844 1.00 0.00 C ATOM 1150 O LEU A 76 3.678 -7.365 8.535 1.00 0.00 O ATOM 1151 CB LEU A 76 3.746 -9.468 10.958 1.00 0.00 C ATOM 1152 CG LEU A 76 2.774 -8.406 11.477 1.00 0.00 C ATOM 1153 CD1 LEU A 76 2.154 -8.847 12.794 1.00 0.00 C ATOM 1154 CD2 LEU A 76 3.483 -7.070 11.638 1.00 0.00 C ATOM 0 H LEU A 76 5.251 -11.083 9.792 1.00 0.00 H new ATOM 0 HA LEU A 76 2.821 -9.723 9.034 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.455 -10.435 11.367 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.742 -9.246 11.342 1.00 0.00 H new ATOM 0 HG LEU A 76 1.974 -8.284 10.747 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.466 -8.079 13.147 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.611 -9.781 12.646 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.940 -8.998 13.534 1.00 0.00 H new ATOM 0 HD21 LEU A 76 2.778 -6.326 12.008 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.303 -7.177 12.348 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.877 -6.749 10.674 1.00 0.00 H new ATOM 1166 N LEU A 77 5.728 -8.279 8.690 1.00 0.00 N ATOM 1167 CA LEU A 77 6.410 -7.115 8.137 1.00 0.00 C ATOM 1168 C LEU A 77 6.203 -7.029 6.628 1.00 0.00 C ATOM 1169 O LEU A 77 6.170 -5.939 6.057 1.00 0.00 O ATOM 1170 CB LEU A 77 7.905 -7.170 8.458 1.00 0.00 C ATOM 1171 CG LEU A 77 8.575 -8.520 8.191 1.00 0.00 C ATOM 1172 CD1 LEU A 77 9.951 -8.321 7.574 1.00 0.00 C ATOM 1173 CD2 LEU A 77 8.678 -9.328 9.476 1.00 0.00 C ATOM 0 H LEU A 77 6.347 -9.050 8.941 1.00 0.00 H new ATOM 0 HA LEU A 77 5.982 -6.224 8.595 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.415 -6.406 7.872 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.045 -6.913 9.508 1.00 0.00 H new ATOM 0 HG LEU A 77 7.959 -9.075 7.484 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.412 -9.292 7.391 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.853 -7.783 6.631 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.576 -7.745 8.257 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.157 -10.285 9.267 1.00 0.00 H new ATOM 0 HD22 LEU A 77 9.271 -8.777 10.206 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.680 -9.502 9.877 1.00 0.00 H new ATOM 1185 N GLN A 78 6.067 -8.186 5.987 1.00 0.00 N ATOM 1186 CA GLN A 78 5.865 -8.240 4.544 1.00 0.00 C ATOM 1187 C GLN A 78 4.449 -7.809 4.175 1.00 0.00 C ATOM 1188 O GLN A 78 4.249 -7.035 3.238 1.00 0.00 O ATOM 1189 CB GLN A 78 6.132 -9.654 4.024 1.00 0.00 C ATOM 1190 CG GLN A 78 7.554 -9.861 3.527 1.00 0.00 C ATOM 1191 CD GLN A 78 8.594 -9.522 4.575 1.00 0.00 C ATOM 1192 OE1 GLN A 78 8.528 -8.472 5.216 1.00 0.00 O ATOM 1193 NE2 GLN A 78 9.564 -10.411 4.757 1.00 0.00 N ATOM 0 H GLN A 78 6.093 -9.098 6.444 1.00 0.00 H new ATOM 0 HA GLN A 78 6.568 -7.549 4.078 1.00 0.00 H new ATOM 0 HB2 GLN A 78 5.926 -10.370 4.820 1.00 0.00 H new ATOM 0 HB3 GLN A 78 5.437 -9.871 3.213 1.00 0.00 H new ATOM 0 HG2 GLN A 78 7.679 -10.899 3.219 1.00 0.00 H new ATOM 0 HG3 GLN A 78 7.719 -9.244 2.644 1.00 0.00 H new ATOM 0 HE21 GLN A 78 9.581 -11.268 4.204 1.00 0.00 H new ATOM 0 HE22 GLN A 78 10.292 -10.237 5.450 1.00 0.00 H new ATOM 1202 N ARG A 79 3.469 -8.314 4.916 1.00 0.00 N ATOM 1203 CA ARG A 79 2.071 -7.981 4.666 1.00 0.00 C ATOM 1204 C ARG A 79 1.841 -6.477 4.779 1.00 0.00 C ATOM 1205 O ARG A 79 1.102 -5.892 3.987 1.00 0.00 O ATOM 1206 CB ARG A 79 1.165 -8.722 5.650 1.00 0.00 C ATOM 1207 CG ARG A 79 1.521 -8.478 7.108 1.00 0.00 C ATOM 1208 CD ARG A 79 0.569 -9.208 8.043 1.00 0.00 C ATOM 1209 NE ARG A 79 0.592 -10.653 7.830 1.00 0.00 N ATOM 1210 CZ ARG A 79 -0.008 -11.529 8.633 1.00 0.00 C ATOM 1211 NH1 ARG A 79 -0.674 -11.112 9.703 1.00 0.00 N ATOM 1212 NH2 ARG A 79 0.061 -12.826 8.367 1.00 0.00 N ATOM 0 H ARG A 79 3.617 -8.956 5.695 1.00 0.00 H new ATOM 0 HA ARG A 79 1.825 -8.293 3.651 1.00 0.00 H new ATOM 0 HB2 ARG A 79 0.132 -8.417 5.481 1.00 0.00 H new ATOM 0 HB3 ARG A 79 1.219 -9.791 5.446 1.00 0.00 H new ATOM 0 HG2 ARG A 79 2.542 -8.810 7.295 1.00 0.00 H new ATOM 0 HG3 ARG A 79 1.490 -7.409 7.317 1.00 0.00 H new ATOM 0 HD2 ARG A 79 0.838 -8.990 9.077 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -0.444 -8.836 7.892 1.00 0.00 H new ATOM 0 HE ARG A 79 1.097 -11.011 7.019 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -0.728 -10.115 9.914 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -1.132 -11.788 10.314 1.00 0.00 H new ATOM 0 HH21 ARG A 79 0.574 -13.152 7.548 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -0.398 -13.498 8.982 1.00 0.00 H new ATOM 1226 N HIS A 80 2.477 -5.859 5.768 1.00 0.00 N ATOM 1227 CA HIS A 80 2.342 -4.423 5.983 1.00 0.00 C ATOM 1228 C HIS A 80 3.129 -3.639 4.938 1.00 0.00 C ATOM 1229 O HIS A 80 2.744 -2.534 4.556 1.00 0.00 O ATOM 1230 CB HIS A 80 2.822 -4.049 7.387 1.00 0.00 C ATOM 1231 CG HIS A 80 1.825 -4.355 8.462 1.00 0.00 C ATOM 1232 ND1 HIS A 80 2.008 -4.001 9.781 1.00 0.00 N ATOM 1233 CD2 HIS A 80 0.627 -4.986 8.406 1.00 0.00 C ATOM 1234 CE1 HIS A 80 0.968 -4.401 10.491 1.00 0.00 C ATOM 1235 NE2 HIS A 80 0.116 -5.001 9.680 1.00 0.00 N ATOM 0 H HIS A 80 3.091 -6.329 6.433 1.00 0.00 H new ATOM 0 HA HIS A 80 1.288 -4.164 5.886 1.00 0.00 H new ATOM 0 HB2 HIS A 80 3.748 -4.583 7.599 1.00 0.00 H new ATOM 0 HB3 HIS A 80 3.055 -2.984 7.411 1.00 0.00 H new ATOM 0 HD2 HIS A 80 0.161 -5.400 7.524 1.00 0.00 H new ATOM 0 HE1 HIS A 80 0.837 -4.261 11.554 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -0.777 -5.409 9.956 1.00 0.00 H new ATOM 1244 N ARG A 81 4.234 -4.219 4.479 1.00 0.00 N ATOM 1245 CA ARG A 81 5.075 -3.574 3.477 1.00 0.00 C ATOM 1246 C ARG A 81 4.416 -3.623 2.102 1.00 0.00 C ATOM 1247 O ARG A 81 4.467 -2.654 1.344 1.00 0.00 O ATOM 1248 CB ARG A 81 6.449 -4.248 3.426 1.00 0.00 C ATOM 1249 CG ARG A 81 7.557 -3.417 4.051 1.00 0.00 C ATOM 1250 CD ARG A 81 8.893 -4.140 3.999 1.00 0.00 C ATOM 1251 NE ARG A 81 9.158 -4.707 2.679 1.00 0.00 N ATOM 1252 CZ ARG A 81 9.532 -3.988 1.624 1.00 0.00 C ATOM 1253 NH1 ARG A 81 9.687 -2.674 1.729 1.00 0.00 N ATOM 1254 NH2 ARG A 81 9.752 -4.584 0.459 1.00 0.00 N ATOM 0 H ARG A 81 4.567 -5.133 4.785 1.00 0.00 H new ATOM 0 HA ARG A 81 5.202 -2.529 3.760 1.00 0.00 H new ATOM 0 HB2 ARG A 81 6.393 -5.208 3.939 1.00 0.00 H new ATOM 0 HB3 ARG A 81 6.704 -4.456 2.387 1.00 0.00 H new ATOM 0 HG2 ARG A 81 7.637 -2.464 3.528 1.00 0.00 H new ATOM 0 HG3 ARG A 81 7.304 -3.192 5.087 1.00 0.00 H new ATOM 0 HD2 ARG A 81 9.691 -3.446 4.262 1.00 0.00 H new ATOM 0 HD3 ARG A 81 8.904 -4.936 4.744 1.00 0.00 H new ATOM 0 HE ARG A 81 9.050 -5.714 2.559 1.00 0.00 H new ATOM 0 HH11 ARG A 81 9.519 -2.210 2.622 1.00 0.00 H new ATOM 0 HH12 ARG A 81 9.974 -2.128 0.917 1.00 0.00 H new ATOM 0 HH21 ARG A 81 9.634 -5.593 0.372 1.00 0.00 H new ATOM 0 HH22 ARG A 81 10.039 -4.033 -0.350 1.00 0.00 H new ATOM 1268 N LEU A 82 3.798 -4.756 1.788 1.00 0.00 N ATOM 1269 CA LEU A 82 3.130 -4.932 0.504 1.00 0.00 C ATOM 1270 C LEU A 82 1.974 -3.948 0.356 1.00 0.00 C ATOM 1271 O LEU A 82 1.799 -3.334 -0.697 1.00 0.00 O ATOM 1272 CB LEU A 82 2.615 -6.367 0.366 1.00 0.00 C ATOM 1273 CG LEU A 82 3.600 -7.348 -0.272 1.00 0.00 C ATOM 1274 CD1 LEU A 82 3.081 -8.773 -0.160 1.00 0.00 C ATOM 1275 CD2 LEU A 82 3.847 -6.982 -1.728 1.00 0.00 C ATOM 0 H LEU A 82 3.746 -5.566 2.405 1.00 0.00 H new ATOM 0 HA LEU A 82 3.855 -4.737 -0.286 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.346 -6.737 1.355 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.702 -6.354 -0.229 1.00 0.00 H new ATOM 0 HG LEU A 82 4.547 -7.285 0.264 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.795 -9.457 -0.619 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.954 -9.032 0.891 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.122 -8.852 -0.672 1.00 0.00 H new ATOM 0 HD21 LEU A 82 4.550 -7.690 -2.167 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.906 -7.018 -2.277 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.262 -5.976 -1.785 1.00 0.00 H new ATOM 1287 N VAL A 83 1.185 -3.803 1.416 1.00 0.00 N ATOM 1288 CA VAL A 83 0.047 -2.892 1.403 1.00 0.00 C ATOM 1289 C VAL A 83 0.506 -1.440 1.332 1.00 0.00 C ATOM 1290 O VAL A 83 -0.038 -0.643 0.570 1.00 0.00 O ATOM 1291 CB VAL A 83 -0.837 -3.080 2.651 1.00 0.00 C ATOM 1292 CG1 VAL A 83 -2.100 -2.238 2.545 1.00 0.00 C ATOM 1293 CG2 VAL A 83 -1.184 -4.549 2.847 1.00 0.00 C ATOM 0 H VAL A 83 1.313 -4.305 2.295 1.00 0.00 H new ATOM 0 HA VAL A 83 -0.538 -3.129 0.514 1.00 0.00 H new ATOM 0 HB VAL A 83 -0.275 -2.744 3.522 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -2.711 -2.385 3.436 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.830 -1.186 2.460 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.666 -2.540 1.663 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.809 -4.660 3.733 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.725 -4.915 1.974 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -0.268 -5.125 2.974 1.00 0.00 H new ATOM 1303 N ASN A 84 1.513 -1.104 2.133 1.00 0.00 N ATOM 1304 CA ASN A 84 2.047 0.253 2.161 1.00 0.00 C ATOM 1305 C ASN A 84 2.703 0.605 0.830 1.00 0.00 C ATOM 1306 O ASN A 84 2.457 1.674 0.270 1.00 0.00 O ATOM 1307 CB ASN A 84 3.058 0.402 3.298 1.00 0.00 C ATOM 1308 CG ASN A 84 2.394 0.444 4.660 1.00 0.00 C ATOM 1309 OD1 ASN A 84 3.023 -0.186 5.646 1.00 0.00 O flip ATOM 1310 ND2 ASN A 84 1.329 1.039 4.827 1.00 0.00 N flip ATOM 0 H ASN A 84 1.975 -1.752 2.771 1.00 0.00 H new ATOM 0 HA ASN A 84 1.218 0.941 2.330 1.00 0.00 H new ATOM 0 HB2 ASN A 84 3.762 -0.429 3.266 1.00 0.00 H new ATOM 0 HB3 ASN A 84 3.635 1.315 3.150 1.00 0.00 H new ATOM 0 HD21 ASN A 84 0.879 1.510 4.042 1.00 0.00 H new ATOM 0 HD22 ASN A 84 0.896 1.061 5.750 1.00 0.00 H new ATOM 1317 N GLU A 85 3.539 -0.299 0.331 1.00 0.00 N ATOM 1318 CA GLU A 85 4.231 -0.083 -0.935 1.00 0.00 C ATOM 1319 C GLU A 85 3.236 0.090 -2.077 1.00 0.00 C ATOM 1320 O GLU A 85 3.503 0.805 -3.043 1.00 0.00 O ATOM 1321 CB GLU A 85 5.169 -1.254 -1.233 1.00 0.00 C ATOM 1322 CG GLU A 85 6.453 -1.227 -0.420 1.00 0.00 C ATOM 1323 CD GLU A 85 7.675 -1.576 -1.248 1.00 0.00 C ATOM 1324 OE1 GLU A 85 8.137 -0.709 -2.018 1.00 0.00 O ATOM 1325 OE2 GLU A 85 8.170 -2.717 -1.126 1.00 0.00 O ATOM 0 H GLU A 85 3.754 -1.188 0.783 1.00 0.00 H new ATOM 0 HA GLU A 85 4.818 0.831 -0.848 1.00 0.00 H new ATOM 0 HB2 GLU A 85 4.644 -2.189 -1.036 1.00 0.00 H new ATOM 0 HB3 GLU A 85 5.420 -1.247 -2.294 1.00 0.00 H new ATOM 0 HG2 GLU A 85 6.583 -0.235 0.013 1.00 0.00 H new ATOM 0 HG3 GLU A 85 6.368 -1.929 0.410 1.00 0.00 H new ATOM 1332 N CYS A 86 2.087 -0.567 -1.959 1.00 0.00 N ATOM 1333 CA CYS A 86 1.050 -0.485 -2.982 1.00 0.00 C ATOM 1334 C CYS A 86 0.587 0.956 -3.174 1.00 0.00 C ATOM 1335 O CYS A 86 0.675 1.505 -4.271 1.00 0.00 O ATOM 1336 CB CYS A 86 -0.139 -1.369 -2.604 1.00 0.00 C ATOM 1337 SG CYS A 86 -0.032 -3.060 -3.235 1.00 0.00 S ATOM 0 H CYS A 86 1.850 -1.162 -1.165 1.00 0.00 H new ATOM 0 HA CYS A 86 1.473 -0.839 -3.922 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -0.222 -1.403 -1.518 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -1.053 -0.910 -2.980 1.00 0.00 H new ATOM 0 HG CYS A 86 0.145 -3.032 -4.523 1.00 0.00 H new ATOM 1343 N LEU A 87 0.096 1.561 -2.097 1.00 0.00 N ATOM 1344 CA LEU A 87 -0.380 2.939 -2.146 1.00 0.00 C ATOM 1345 C LEU A 87 0.642 3.888 -1.528 1.00 0.00 C ATOM 1346 O LEU A 87 0.283 4.832 -0.825 1.00 0.00 O ATOM 1347 CB LEU A 87 -1.718 3.064 -1.414 1.00 0.00 C ATOM 1348 CG LEU A 87 -2.689 1.901 -1.634 1.00 0.00 C ATOM 1349 CD1 LEU A 87 -3.697 1.827 -0.498 1.00 0.00 C ATOM 1350 CD2 LEU A 87 -3.398 2.048 -2.971 1.00 0.00 C ATOM 0 H LEU A 87 0.017 1.119 -1.181 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.519 3.214 -3.192 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -1.523 3.157 -0.346 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.203 3.987 -1.731 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.119 0.972 -1.647 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.379 0.995 -0.671 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.172 1.676 0.445 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.263 2.757 -0.453 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -4.085 1.213 -3.112 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -3.956 2.984 -2.986 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.662 2.052 -3.775 1.00 0.00 H new ATOM 1362 N ALA A 88 1.917 3.629 -1.797 1.00 0.00 N ATOM 1363 CA ALA A 88 2.994 4.458 -1.268 1.00 0.00 C ATOM 1364 C ALA A 88 2.872 5.897 -1.757 1.00 0.00 C ATOM 1365 O ALA A 88 3.165 6.839 -1.022 1.00 0.00 O ATOM 1366 CB ALA A 88 4.345 3.879 -1.658 1.00 0.00 C ATOM 0 H ALA A 88 2.230 2.852 -2.378 1.00 0.00 H new ATOM 0 HA ALA A 88 2.913 4.464 -0.181 1.00 0.00 H new ATOM 0 HB1 ALA A 88 5.140 4.508 -1.257 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.440 2.872 -1.253 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.425 3.842 -2.744 1.00 0.00 H new ATOM 1372 N GLU A 89 2.441 6.059 -3.004 1.00 0.00 N ATOM 1373 CA GLU A 89 2.282 7.385 -3.592 1.00 0.00 C ATOM 1374 C GLU A 89 1.038 8.081 -3.047 1.00 0.00 C ATOM 1375 O GLU A 89 1.063 9.275 -2.748 1.00 0.00 O ATOM 1376 CB GLU A 89 2.196 7.283 -5.116 1.00 0.00 C ATOM 1377 CG GLU A 89 3.367 6.544 -5.743 1.00 0.00 C ATOM 1378 CD GLU A 89 3.504 6.823 -7.227 1.00 0.00 C ATOM 1379 OE1 GLU A 89 3.262 7.977 -7.639 1.00 0.00 O ATOM 1380 OE2 GLU A 89 3.853 5.888 -7.977 1.00 0.00 O ATOM 0 H GLU A 89 2.196 5.289 -3.627 1.00 0.00 H new ATOM 0 HA GLU A 89 3.155 7.979 -3.322 1.00 0.00 H new ATOM 0 HB2 GLU A 89 1.270 6.775 -5.386 1.00 0.00 H new ATOM 0 HB3 GLU A 89 2.143 8.287 -5.537 1.00 0.00 H new ATOM 0 HG2 GLU A 89 4.288 6.833 -5.236 1.00 0.00 H new ATOM 0 HG3 GLU A 89 3.241 5.472 -5.588 1.00 0.00 H new ATOM 1387 N GLU A 90 -0.050 7.327 -2.928 1.00 0.00 N ATOM 1388 CA GLU A 90 -1.309 7.869 -2.426 1.00 0.00 C ATOM 1389 C GLU A 90 -1.266 8.070 -0.913 1.00 0.00 C ATOM 1390 O GLU A 90 -1.934 8.955 -0.377 1.00 0.00 O ATOM 1391 CB GLU A 90 -2.468 6.941 -2.794 1.00 0.00 C ATOM 1392 CG GLU A 90 -2.730 6.859 -4.289 1.00 0.00 C ATOM 1393 CD GLU A 90 -1.805 5.885 -4.990 1.00 0.00 C ATOM 1394 OE1 GLU A 90 -1.837 4.685 -4.649 1.00 0.00 O ATOM 1395 OE2 GLU A 90 -1.048 6.323 -5.882 1.00 0.00 O ATOM 0 H GLU A 90 -0.086 6.337 -3.173 1.00 0.00 H new ATOM 0 HA GLU A 90 -1.462 8.842 -2.893 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -2.256 5.941 -2.415 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -3.372 7.287 -2.293 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -3.764 6.557 -4.457 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -2.611 7.849 -4.730 1.00 0.00 H new ATOM 1402 N LEU A 91 -0.487 7.237 -0.226 1.00 0.00 N ATOM 1403 CA LEU A 91 -0.368 7.316 1.229 1.00 0.00 C ATOM 1404 C LEU A 91 -0.159 8.757 1.699 1.00 0.00 C ATOM 1405 O LEU A 91 -0.950 9.278 2.485 1.00 0.00 O ATOM 1406 CB LEU A 91 0.783 6.431 1.716 1.00 0.00 C ATOM 1407 CG LEU A 91 0.361 5.076 2.287 1.00 0.00 C ATOM 1408 CD1 LEU A 91 1.567 4.328 2.834 1.00 0.00 C ATOM 1409 CD2 LEU A 91 -0.691 5.257 3.372 1.00 0.00 C ATOM 0 H LEU A 91 0.072 6.499 -0.654 1.00 0.00 H new ATOM 0 HA LEU A 91 -1.303 6.957 1.658 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.467 6.261 0.885 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.339 6.973 2.481 1.00 0.00 H new ATOM 0 HG LEU A 91 -0.074 4.485 1.481 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.247 3.367 3.236 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.288 4.165 2.033 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.031 4.916 3.626 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.979 4.282 3.766 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.282 5.868 4.177 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.567 5.751 2.951 1.00 0.00 H new ATOM 1421 N PRO A 92 0.910 9.422 1.227 1.00 0.00 N ATOM 1422 CA PRO A 92 1.211 10.805 1.608 1.00 0.00 C ATOM 1423 C PRO A 92 -0.023 11.703 1.575 1.00 0.00 C ATOM 1424 O PRO A 92 -0.151 12.627 2.379 1.00 0.00 O ATOM 1425 CB PRO A 92 2.217 11.245 0.546 1.00 0.00 C ATOM 1426 CG PRO A 92 2.917 9.991 0.149 1.00 0.00 C ATOM 1427 CD PRO A 92 1.911 8.878 0.289 1.00 0.00 C ATOM 0 HA PRO A 92 1.583 10.875 2.630 1.00 0.00 H new ATOM 0 HB2 PRO A 92 1.718 11.707 -0.306 1.00 0.00 H new ATOM 0 HB3 PRO A 92 2.916 11.981 0.943 1.00 0.00 H new ATOM 0 HG2 PRO A 92 3.282 10.058 -0.876 1.00 0.00 H new ATOM 0 HG3 PRO A 92 3.784 9.813 0.785 1.00 0.00 H new ATOM 0 HD2 PRO A 92 1.462 8.622 -0.671 1.00 0.00 H new ATOM 0 HD3 PRO A 92 2.371 7.970 0.678 1.00 0.00 H new ATOM 1435 N HIS A 93 -0.928 11.424 0.643 1.00 0.00 N ATOM 1436 CA HIS A 93 -2.152 12.206 0.506 1.00 0.00 C ATOM 1437 C HIS A 93 -3.145 11.862 1.613 1.00 0.00 C ATOM 1438 O HIS A 93 -3.929 12.708 2.041 1.00 0.00 O ATOM 1439 CB HIS A 93 -2.790 11.960 -0.862 1.00 0.00 C ATOM 1440 CG HIS A 93 -1.959 12.451 -2.007 1.00 0.00 C ATOM 1441 ND1 HIS A 93 -2.246 13.604 -2.706 1.00 0.00 N ATOM 1442 CD2 HIS A 93 -0.841 11.938 -2.574 1.00 0.00 C ATOM 1443 CE1 HIS A 93 -1.343 13.779 -3.654 1.00 0.00 C ATOM 1444 NE2 HIS A 93 -0.479 12.782 -3.595 1.00 0.00 N ATOM 0 H HIS A 93 -0.837 10.662 -0.029 1.00 0.00 H new ATOM 0 HA HIS A 93 -1.890 13.261 0.592 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -2.967 10.891 -0.984 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -3.763 12.450 -0.893 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -0.330 11.034 -2.278 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -1.316 14.598 -4.358 1.00 0.00 H new ATOM 0 HE2 HIS A 93 0.327 12.659 -4.208 1.00 0.00 H new ATOM 1453 N ILE A 94 -3.103 10.615 2.070 1.00 0.00 N ATOM 1454 CA ILE A 94 -3.997 10.156 3.126 1.00 0.00 C ATOM 1455 C ILE A 94 -3.572 10.707 4.484 1.00 0.00 C ATOM 1456 O ILE A 94 -2.444 10.493 4.925 1.00 0.00 O ATOM 1457 CB ILE A 94 -4.036 8.618 3.204 1.00 0.00 C ATOM 1458 CG1 ILE A 94 -4.242 8.017 1.812 1.00 0.00 C ATOM 1459 CG2 ILE A 94 -5.135 8.162 4.152 1.00 0.00 C ATOM 1460 CD1 ILE A 94 -5.571 8.383 1.186 1.00 0.00 C ATOM 0 H ILE A 94 -2.459 9.904 1.725 1.00 0.00 H new ATOM 0 HA ILE A 94 -4.992 10.526 2.878 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.080 8.266 3.592 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.437 8.352 1.158 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -4.168 6.932 1.879 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -5.149 7.073 4.196 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -4.946 8.563 5.148 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -6.099 8.523 3.793 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -5.648 7.923 0.201 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -6.383 8.024 1.819 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -5.640 9.466 1.087 1.00 0.00 H new ATOM 1472 N HIS A 95 -4.484 11.415 5.141 1.00 0.00 N ATOM 1473 CA HIS A 95 -4.202 11.993 6.451 1.00 0.00 C ATOM 1474 C HIS A 95 -4.047 10.898 7.501 1.00 0.00 C ATOM 1475 O HIS A 95 -3.242 11.019 8.425 1.00 0.00 O ATOM 1476 CB HIS A 95 -5.319 12.955 6.860 1.00 0.00 C ATOM 1477 CG HIS A 95 -4.968 13.815 8.033 1.00 0.00 C ATOM 1478 ND1 HIS A 95 -5.872 14.150 9.020 1.00 0.00 N ATOM 1479 CD2 HIS A 95 -3.801 14.410 8.379 1.00 0.00 C ATOM 1480 CE1 HIS A 95 -5.277 14.914 9.920 1.00 0.00 C ATOM 1481 NE2 HIS A 95 -4.020 15.085 9.554 1.00 0.00 N ATOM 0 H HIS A 95 -5.423 11.603 4.789 1.00 0.00 H new ATOM 0 HA HIS A 95 -3.265 12.546 6.385 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -5.565 13.594 6.012 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -6.214 12.380 7.096 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -2.871 14.362 7.832 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -5.740 15.328 10.804 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -3.324 15.631 10.062 1.00 0.00 H new ATOM 1490 N ALA A 96 -4.821 9.830 7.350 1.00 0.00 N ATOM 1491 CA ALA A 96 -4.771 8.709 8.282 1.00 0.00 C ATOM 1492 C ALA A 96 -5.100 7.398 7.577 1.00 0.00 C ATOM 1493 O ALA A 96 -6.206 7.217 7.067 1.00 0.00 O ATOM 1494 CB ALA A 96 -5.728 8.943 9.441 1.00 0.00 C ATOM 0 H ALA A 96 -5.492 9.716 6.590 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.756 8.637 8.674 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.680 8.099 10.129 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.446 9.855 9.967 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.744 9.043 9.059 1.00 0.00 H new ATOM 1500 N PHE A 97 -4.133 6.489 7.549 1.00 0.00 N ATOM 1501 CA PHE A 97 -4.319 5.194 6.903 1.00 0.00 C ATOM 1502 C PHE A 97 -4.090 4.054 7.891 1.00 0.00 C ATOM 1503 O PHE A 97 -3.086 4.027 8.602 1.00 0.00 O ATOM 1504 CB PHE A 97 -3.365 5.053 5.715 1.00 0.00 C ATOM 1505 CG PHE A 97 -3.660 3.864 4.845 1.00 0.00 C ATOM 1506 CD1 PHE A 97 -3.333 2.585 5.265 1.00 0.00 C ATOM 1507 CD2 PHE A 97 -4.263 4.028 3.608 1.00 0.00 C ATOM 1508 CE1 PHE A 97 -3.603 1.490 4.466 1.00 0.00 C ATOM 1509 CE2 PHE A 97 -4.534 2.936 2.806 1.00 0.00 C ATOM 1510 CZ PHE A 97 -4.204 1.665 3.235 1.00 0.00 C ATOM 0 H PHE A 97 -3.212 6.624 7.966 1.00 0.00 H new ATOM 0 HA PHE A 97 -5.347 5.139 6.545 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -3.416 5.958 5.109 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -2.343 4.976 6.087 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -2.862 2.442 6.226 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -4.524 5.019 3.268 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -3.344 0.498 4.804 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -5.004 3.076 1.844 1.00 0.00 H new ATOM 0 HZ PHE A 97 -4.415 0.810 2.609 1.00 0.00 H new ATOM 1520 N GLU A 98 -5.029 3.115 7.928 1.00 0.00 N ATOM 1521 CA GLU A 98 -4.932 1.970 8.827 1.00 0.00 C ATOM 1522 C GLU A 98 -4.960 0.661 8.045 1.00 0.00 C ATOM 1523 O GLU A 98 -5.924 0.369 7.339 1.00 0.00 O ATOM 1524 CB GLU A 98 -6.075 1.995 9.844 1.00 0.00 C ATOM 1525 CG GLU A 98 -5.744 1.291 11.149 1.00 0.00 C ATOM 1526 CD GLU A 98 -6.307 2.012 12.359 1.00 0.00 C ATOM 1527 OE1 GLU A 98 -7.493 2.399 12.319 1.00 0.00 O ATOM 1528 OE2 GLU A 98 -5.562 2.187 13.346 1.00 0.00 O ATOM 0 H GLU A 98 -5.866 3.124 7.346 1.00 0.00 H new ATOM 0 HA GLU A 98 -3.982 2.035 9.357 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.338 3.031 10.057 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -6.954 1.527 9.401 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -6.138 0.275 11.120 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -4.662 1.210 11.250 1.00 0.00 H new ATOM 1535 N GLN A 99 -3.894 -0.123 8.175 1.00 0.00 N ATOM 1536 CA GLN A 99 -3.797 -1.400 7.478 1.00 0.00 C ATOM 1537 C GLN A 99 -4.140 -2.558 8.410 1.00 0.00 C ATOM 1538 O GLN A 99 -3.530 -2.718 9.468 1.00 0.00 O ATOM 1539 CB GLN A 99 -2.389 -1.588 6.908 1.00 0.00 C ATOM 1540 CG GLN A 99 -1.309 -1.685 7.974 1.00 0.00 C ATOM 1541 CD GLN A 99 0.084 -1.476 7.412 1.00 0.00 C ATOM 1542 OE1 GLN A 99 0.344 -2.053 6.244 1.00 0.00 O flip ATOM 1543 NE2 GLN A 99 0.917 -0.804 8.021 1.00 0.00 N flip ATOM 0 H GLN A 99 -3.087 0.104 8.756 1.00 0.00 H new ATOM 0 HA GLN A 99 -4.516 -1.393 6.659 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -2.370 -2.492 6.300 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -2.160 -0.753 6.245 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -1.500 -0.942 8.748 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -1.361 -2.664 8.451 1.00 0.00 H new ATOM 0 HE21 GLN A 99 0.674 -0.379 8.916 1.00 0.00 H new ATOM 0 HE22 GLN A 99 1.850 -0.672 7.631 1.00 0.00 H new ATOM 1552 N LYS A 100 -5.118 -3.363 8.009 1.00 0.00 N ATOM 1553 CA LYS A 100 -5.543 -4.507 8.808 1.00 0.00 C ATOM 1554 C LYS A 100 -5.665 -5.756 7.943 1.00 0.00 C ATOM 1555 O LYS A 100 -6.385 -5.765 6.945 1.00 0.00 O ATOM 1556 CB LYS A 100 -6.879 -4.212 9.491 1.00 0.00 C ATOM 1557 CG LYS A 100 -7.374 -5.345 10.374 1.00 0.00 C ATOM 1558 CD LYS A 100 -8.104 -4.819 11.599 1.00 0.00 C ATOM 1559 CE LYS A 100 -9.483 -4.288 11.242 1.00 0.00 C ATOM 1560 NZ LYS A 100 -9.853 -3.105 12.065 1.00 0.00 N ATOM 0 H LYS A 100 -5.631 -3.245 7.136 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.786 -4.687 9.572 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -6.778 -3.310 10.094 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -7.629 -4.003 8.728 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -8.041 -5.990 9.801 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -6.529 -5.958 10.688 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -8.200 -5.616 12.337 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -7.516 -4.026 12.061 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -9.505 -4.017 10.186 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -10.223 -5.075 11.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -10.800 -2.774 11.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -9.857 -3.369 13.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -9.161 -2.344 11.910 1.00 0.00 H new ATOM 1574 N THR A 101 -4.956 -6.812 8.332 1.00 0.00 N ATOM 1575 CA THR A 101 -4.986 -8.068 7.591 1.00 0.00 C ATOM 1576 C THR A 101 -5.347 -9.233 8.507 1.00 0.00 C ATOM 1577 O THR A 101 -4.958 -9.261 9.675 1.00 0.00 O ATOM 1578 CB THR A 101 -3.631 -8.325 6.929 1.00 0.00 C ATOM 1579 OG1 THR A 101 -2.677 -8.748 7.888 1.00 0.00 O ATOM 1580 CG2 THR A 101 -3.066 -7.110 6.227 1.00 0.00 C ATOM 0 H THR A 101 -4.354 -6.822 9.156 1.00 0.00 H new ATOM 0 HA THR A 101 -5.751 -7.987 6.819 1.00 0.00 H new ATOM 0 HB THR A 101 -3.816 -9.100 6.185 1.00 0.00 H new ATOM 0 HG1 THR A 101 -2.465 -9.694 7.743 1.00 0.00 H new ATOM 0 HG21 THR A 101 -2.105 -7.362 5.780 1.00 0.00 H new ATOM 0 HG22 THR A 101 -3.755 -6.787 5.447 1.00 0.00 H new ATOM 0 HG23 THR A 101 -2.930 -6.304 6.948 1.00 0.00 H new ATOM 1588 N LEU A 102 -6.092 -10.193 7.970 1.00 0.00 N ATOM 1589 CA LEU A 102 -6.505 -11.362 8.738 1.00 0.00 C ATOM 1590 C LEU A 102 -6.667 -12.578 7.832 1.00 0.00 C ATOM 1591 O LEU A 102 -6.758 -12.448 6.611 1.00 0.00 O ATOM 1592 CB LEU A 102 -7.817 -11.078 9.472 1.00 0.00 C ATOM 1593 CG LEU A 102 -7.660 -10.519 10.887 1.00 0.00 C ATOM 1594 CD1 LEU A 102 -9.019 -10.339 11.545 1.00 0.00 C ATOM 1595 CD2 LEU A 102 -6.778 -11.432 11.725 1.00 0.00 C ATOM 0 H LEU A 102 -6.423 -10.185 7.005 1.00 0.00 H new ATOM 0 HA LEU A 102 -5.727 -11.579 9.470 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -8.400 -10.372 8.881 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -8.393 -12.002 9.525 1.00 0.00 H new ATOM 0 HG LEU A 102 -7.180 -9.543 10.820 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -8.886 -9.940 12.551 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -9.619 -9.645 10.956 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -9.527 -11.302 11.600 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -6.677 -11.019 12.729 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -7.231 -12.422 11.784 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -5.793 -11.510 11.264 1.00 0.00 H new ATOM 1607 N THR A 103 -6.701 -13.761 8.438 1.00 0.00 N ATOM 1608 CA THR A 103 -6.851 -15.001 7.687 1.00 0.00 C ATOM 1609 C THR A 103 -8.327 -15.347 7.496 1.00 0.00 C ATOM 1610 O THR A 103 -9.169 -14.987 8.319 1.00 0.00 O ATOM 1611 CB THR A 103 -6.137 -16.146 8.405 1.00 0.00 C ATOM 1612 OG1 THR A 103 -6.859 -16.546 9.556 1.00 0.00 O ATOM 1613 CG2 THR A 103 -4.732 -15.793 8.845 1.00 0.00 C ATOM 0 H THR A 103 -6.627 -13.886 9.448 1.00 0.00 H new ATOM 0 HA THR A 103 -6.399 -14.859 6.705 1.00 0.00 H new ATOM 0 HB THR A 103 -6.081 -16.953 7.674 1.00 0.00 H new ATOM 0 HG1 THR A 103 -6.478 -17.377 9.909 1.00 0.00 H new ATOM 0 HG21 THR A 103 -4.282 -16.649 9.348 1.00 0.00 H new ATOM 0 HG22 THR A 103 -4.133 -15.528 7.973 1.00 0.00 H new ATOM 0 HG23 THR A 103 -4.767 -14.947 9.531 1.00 0.00 H new ATOM 1621 N PRO A 104 -8.659 -16.053 6.401 1.00 0.00 N ATOM 1622 CA PRO A 104 -10.042 -16.447 6.106 1.00 0.00 C ATOM 1623 C PRO A 104 -10.690 -17.194 7.265 1.00 0.00 C ATOM 1624 O PRO A 104 -11.838 -16.930 7.624 1.00 0.00 O ATOM 1625 CB PRO A 104 -9.900 -17.366 4.890 1.00 0.00 C ATOM 1626 CG PRO A 104 -8.621 -16.955 4.248 1.00 0.00 C ATOM 1627 CD PRO A 104 -7.717 -16.522 5.369 1.00 0.00 C ATOM 0 HA PRO A 104 -10.683 -15.583 5.930 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -9.874 -18.414 5.188 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -10.741 -17.250 4.206 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -8.182 -17.781 3.689 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -8.783 -16.142 3.541 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -7.101 -17.346 5.731 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -7.037 -15.730 5.055 1.00 0.00 H new ATOM 1635 N GLU A 105 -9.948 -18.129 7.850 1.00 0.00 N ATOM 1636 CA GLU A 105 -10.451 -18.916 8.970 1.00 0.00 C ATOM 1637 C GLU A 105 -10.821 -18.016 10.144 1.00 0.00 C ATOM 1638 O GLU A 105 -11.885 -18.168 10.744 1.00 0.00 O ATOM 1639 CB GLU A 105 -9.405 -19.943 9.410 1.00 0.00 C ATOM 1640 CG GLU A 105 -9.957 -21.013 10.338 1.00 0.00 C ATOM 1641 CD GLU A 105 -9.561 -20.789 11.784 1.00 0.00 C ATOM 1642 OE1 GLU A 105 -8.479 -20.214 12.022 1.00 0.00 O ATOM 1643 OE2 GLU A 105 -10.334 -21.191 12.679 1.00 0.00 O ATOM 0 H GLU A 105 -8.996 -18.360 7.567 1.00 0.00 H new ATOM 0 HA GLU A 105 -11.348 -19.440 8.640 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -8.984 -20.422 8.526 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -8.588 -19.425 9.912 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -11.044 -21.030 10.261 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -9.599 -21.990 10.014 1.00 0.00 H new ATOM 1650 N GLN A 106 -9.936 -17.078 10.466 1.00 0.00 N ATOM 1651 CA GLN A 106 -10.171 -16.152 11.568 1.00 0.00 C ATOM 1652 C GLN A 106 -11.435 -15.332 11.330 1.00 0.00 C ATOM 1653 O GLN A 106 -12.293 -15.227 12.206 1.00 0.00 O ATOM 1654 CB GLN A 106 -8.970 -15.221 11.745 1.00 0.00 C ATOM 1655 CG GLN A 106 -7.756 -15.903 12.355 1.00 0.00 C ATOM 1656 CD GLN A 106 -6.555 -14.983 12.448 1.00 0.00 C ATOM 1657 OE1 GLN A 106 -6.068 -14.475 11.438 1.00 0.00 O ATOM 1658 NE2 GLN A 106 -6.071 -14.763 13.664 1.00 0.00 N ATOM 0 H GLN A 106 -9.050 -16.939 9.980 1.00 0.00 H new ATOM 0 HA GLN A 106 -10.305 -16.737 12.478 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -8.695 -14.808 10.774 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -9.261 -14.382 12.377 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -8.010 -16.265 13.351 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -7.495 -16.775 11.756 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -6.506 -15.205 14.474 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -5.264 -14.152 13.789 1.00 0.00 H new ATOM 1667 N TRP A 107 -11.541 -14.751 10.139 1.00 0.00 N ATOM 1668 CA TRP A 107 -12.700 -13.941 9.785 1.00 0.00 C ATOM 1669 C TRP A 107 -13.980 -14.770 9.821 1.00 0.00 C ATOM 1670 O TRP A 107 -14.965 -14.381 10.448 1.00 0.00 O ATOM 1671 CB TRP A 107 -12.516 -13.328 8.398 1.00 0.00 C ATOM 1672 CG TRP A 107 -13.096 -11.953 8.288 1.00 0.00 C ATOM 1673 CD1 TRP A 107 -14.360 -11.629 7.895 1.00 0.00 C ATOM 1674 CD2 TRP A 107 -12.435 -10.719 8.580 1.00 0.00 C ATOM 1675 NE1 TRP A 107 -14.526 -10.264 7.919 1.00 0.00 N ATOM 1676 CE2 TRP A 107 -13.357 -9.684 8.337 1.00 0.00 C ATOM 1677 CE3 TRP A 107 -11.153 -10.389 9.024 1.00 0.00 C ATOM 1678 CZ2 TRP A 107 -13.035 -8.341 8.521 1.00 0.00 C ATOM 1679 CZ3 TRP A 107 -10.834 -9.057 9.208 1.00 0.00 C ATOM 1680 CH2 TRP A 107 -11.772 -8.047 8.957 1.00 0.00 C ATOM 0 H TRP A 107 -10.838 -14.826 9.403 1.00 0.00 H new ATOM 0 HA TRP A 107 -12.788 -13.141 10.520 1.00 0.00 H new ATOM 0 HB2 TRP A 107 -11.453 -13.288 8.162 1.00 0.00 H new ATOM 0 HB3 TRP A 107 -12.984 -13.975 7.655 1.00 0.00 H new ATOM 0 HD1 TRP A 107 -15.120 -12.340 7.607 1.00 0.00 H new ATOM 0 HE1 TRP A 107 -15.379 -9.765 7.667 1.00 0.00 H new ATOM 0 HE3 TRP A 107 -10.424 -11.161 9.220 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 -13.756 -7.561 8.327 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 -9.845 -8.790 9.551 1.00 0.00 H new ATOM 0 HH2 TRP A 107 -11.492 -7.015 9.111 1.00 0.00 H new ATOM 1691 N THR A 108 -13.957 -15.914 9.146 1.00 0.00 N ATOM 1692 CA THR A 108 -15.117 -16.798 9.101 1.00 0.00 C ATOM 1693 C THR A 108 -15.536 -17.221 10.506 1.00 0.00 C ATOM 1694 O THR A 108 -16.688 -17.038 10.901 1.00 0.00 O ATOM 1695 CB THR A 108 -14.808 -18.035 8.255 1.00 0.00 C ATOM 1696 OG1 THR A 108 -14.148 -17.670 7.056 1.00 0.00 O ATOM 1697 CG2 THR A 108 -16.042 -18.824 7.877 1.00 0.00 C ATOM 0 H THR A 108 -13.149 -16.251 8.623 1.00 0.00 H new ATOM 0 HA THR A 108 -15.942 -16.250 8.646 1.00 0.00 H new ATOM 0 HB THR A 108 -14.173 -18.662 8.881 1.00 0.00 H new ATOM 0 HG1 THR A 108 -13.194 -17.880 7.131 1.00 0.00 H new ATOM 0 HG21 THR A 108 -15.752 -19.687 7.278 1.00 0.00 H new ATOM 0 HG22 THR A 108 -16.548 -19.163 8.781 1.00 0.00 H new ATOM 0 HG23 THR A 108 -16.716 -18.191 7.299 1.00 0.00 H new