USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=11 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 38 LYS NZ :NH3+ -122:sc= 0.14 (180deg=0) USER MOD Set 1.2: A 86 CYS SG : rot 96:sc= 0.315 USER MOD Single : A 31 SER OG : rot 22:sc= 0.396 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot 8:sc= 0.691 USER MOD Single : A 68 SER OG : rot -150:sc=-0.00914 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.175) USER MOD Single : A 78 GLN : amide:sc= -5.35! C(o=-5.3!,f=-8.1!) USER MOD Single : A 80 HIS : no HD1:sc= -0.209 X(o=-0.21,f=-0.021) USER MOD Single : A 84 ASN : amide:sc= -3.98 K(o=-4,f=-6.6!) USER MOD Single : A 93 HIS : no HD1:sc= -0.371 X(o=-0.37,f=0) USER MOD Single : A 95 HIS : no HD1:sc= -0.371 X(o=-0.37,f=0.027) USER MOD Single : A 99 GLN : amide:sc= -0.596 K(o=-0.6,f=-1.3) USER MOD Single : A 100 LYS NZ :NH3+ -114:sc= 0 (180deg=-0.225) USER MOD Single : A 101 THR OG1 : rot -140:sc= -0.298 USER MOD Single : A 103 THR OG1 : rot 177:sc= -0.759 USER MOD Single : A 106 GLN : amide:sc= -0.897 K(o=-0.9,f=-4!) USER MOD Single : A 108 THR OG1 : rot 96:sc= 1.2 USER MOD ----------------------------------------------------------------- ATOM 427 N SER A 31 -9.420 7.508 -3.631 1.00 0.00 N ATOM 428 CA SER A 31 -10.746 7.140 -3.150 1.00 0.00 C ATOM 429 C SER A 31 -10.689 5.855 -2.329 1.00 0.00 C ATOM 430 O SER A 31 -9.701 5.123 -2.370 1.00 0.00 O ATOM 431 CB SER A 31 -11.708 6.965 -4.327 1.00 0.00 C ATOM 432 OG SER A 31 -11.460 7.928 -5.336 1.00 0.00 O ATOM 0 HA SER A 31 -11.109 7.944 -2.509 1.00 0.00 H new ATOM 0 HB2 SER A 31 -11.601 5.963 -4.742 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.736 7.057 -3.977 1.00 0.00 H new ATOM 0 HG SER A 31 -10.543 8.264 -5.250 1.00 0.00 H new ATOM 438 N ALA A 32 -11.757 5.589 -1.584 1.00 0.00 N ATOM 439 CA ALA A 32 -11.829 4.392 -0.753 1.00 0.00 C ATOM 440 C ALA A 32 -11.770 3.129 -1.604 1.00 0.00 C ATOM 441 O ALA A 32 -10.893 2.286 -1.422 1.00 0.00 O ATOM 442 CB ALA A 32 -13.099 4.409 0.085 1.00 0.00 C ATOM 0 H ALA A 32 -12.583 6.185 -1.538 1.00 0.00 H new ATOM 0 HA ALA A 32 -10.967 4.389 -0.086 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -13.141 3.510 0.701 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -13.099 5.289 0.728 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -13.968 4.439 -0.572 1.00 0.00 H new ATOM 448 N ASP A 33 -12.712 3.004 -2.535 1.00 0.00 N ATOM 449 CA ASP A 33 -12.767 1.843 -3.415 1.00 0.00 C ATOM 450 C ASP A 33 -11.494 1.730 -4.248 1.00 0.00 C ATOM 451 O ASP A 33 -11.071 0.631 -4.605 1.00 0.00 O ATOM 452 CB ASP A 33 -13.989 1.934 -4.334 1.00 0.00 C ATOM 453 CG ASP A 33 -15.109 1.010 -3.899 1.00 0.00 C ATOM 454 OD1 ASP A 33 -15.789 1.330 -2.901 1.00 0.00 O ATOM 455 OD2 ASP A 33 -15.306 -0.034 -4.555 1.00 0.00 O ATOM 0 H ASP A 33 -13.447 3.692 -2.699 1.00 0.00 H new ATOM 0 HA ASP A 33 -12.852 0.950 -2.796 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -14.354 2.961 -4.348 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -13.693 1.687 -5.353 1.00 0.00 H new ATOM 460 N TYR A 34 -10.888 2.872 -4.553 1.00 0.00 N ATOM 461 CA TYR A 34 -9.663 2.901 -5.343 1.00 0.00 C ATOM 462 C TYR A 34 -8.551 2.115 -4.655 1.00 0.00 C ATOM 463 O TYR A 34 -7.955 1.216 -5.246 1.00 0.00 O ATOM 464 CB TYR A 34 -9.215 4.345 -5.574 1.00 0.00 C ATOM 465 CG TYR A 34 -7.967 4.465 -6.421 1.00 0.00 C ATOM 466 CD1 TYR A 34 -7.935 3.967 -7.717 1.00 0.00 C ATOM 467 CD2 TYR A 34 -6.823 5.076 -5.923 1.00 0.00 C ATOM 468 CE1 TYR A 34 -6.796 4.075 -8.494 1.00 0.00 C ATOM 469 CE2 TYR A 34 -5.681 5.187 -6.694 1.00 0.00 C ATOM 470 CZ TYR A 34 -5.673 4.685 -7.977 1.00 0.00 C ATOM 471 OH TYR A 34 -4.539 4.794 -8.748 1.00 0.00 O ATOM 0 H TYR A 34 -11.225 3.790 -4.265 1.00 0.00 H new ATOM 0 HA TYR A 34 -9.871 2.433 -6.305 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -10.024 4.895 -6.055 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -9.036 4.820 -4.609 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -8.813 3.488 -8.124 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -6.826 5.470 -4.918 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -6.786 3.684 -9.501 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -4.800 5.665 -6.293 1.00 0.00 H new ATOM 0 HH TYR A 34 -3.838 5.250 -8.237 1.00 0.00 H new ATOM 481 N LEU A 35 -8.278 2.462 -3.401 1.00 0.00 N ATOM 482 CA LEU A 35 -7.237 1.790 -2.632 1.00 0.00 C ATOM 483 C LEU A 35 -7.644 0.358 -2.300 1.00 0.00 C ATOM 484 O LEU A 35 -6.798 -0.530 -2.194 1.00 0.00 O ATOM 485 CB LEU A 35 -6.947 2.561 -1.344 1.00 0.00 C ATOM 486 CG LEU A 35 -6.719 4.063 -1.524 1.00 0.00 C ATOM 487 CD1 LEU A 35 -6.705 4.768 -0.177 1.00 0.00 C ATOM 488 CD2 LEU A 35 -5.421 4.317 -2.276 1.00 0.00 C ATOM 0 H LEU A 35 -8.763 3.204 -2.896 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.333 1.760 -3.241 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.780 2.416 -0.656 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -6.065 2.129 -0.871 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.542 4.468 -2.112 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.542 5.835 -0.327 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -7.661 4.614 0.324 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.903 4.361 0.438 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.274 5.390 -2.396 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.587 3.897 -1.714 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.471 3.846 -3.258 1.00 0.00 H new ATOM 500 N ARG A 36 -8.945 0.141 -2.136 1.00 0.00 N ATOM 501 CA ARG A 36 -9.465 -1.184 -1.815 1.00 0.00 C ATOM 502 C ARG A 36 -9.342 -2.123 -3.012 1.00 0.00 C ATOM 503 O ARG A 36 -8.810 -3.225 -2.896 1.00 0.00 O ATOM 504 CB ARG A 36 -10.927 -1.087 -1.376 1.00 0.00 C ATOM 505 CG ARG A 36 -11.391 -2.272 -0.543 1.00 0.00 C ATOM 506 CD ARG A 36 -12.907 -2.398 -0.552 1.00 0.00 C ATOM 507 NE ARG A 36 -13.369 -3.367 -1.542 1.00 0.00 N ATOM 508 CZ ARG A 36 -14.645 -3.511 -1.900 1.00 0.00 C ATOM 509 NH1 ARG A 36 -15.584 -2.750 -1.351 1.00 0.00 N ATOM 510 NH2 ARG A 36 -14.979 -4.417 -2.808 1.00 0.00 N ATOM 0 H ARG A 36 -9.658 0.865 -2.220 1.00 0.00 H new ATOM 0 HA ARG A 36 -8.872 -1.591 -0.996 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.065 -0.172 -0.800 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -11.559 -1.005 -2.260 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -10.946 -3.188 -0.932 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -11.040 -2.157 0.483 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -13.252 -2.698 0.438 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -13.351 -1.425 -0.763 1.00 0.00 H new ATOM 0 HE ARG A 36 -12.675 -3.969 -1.985 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -15.330 -2.052 -0.652 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -16.559 -2.864 -1.628 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -14.260 -5.003 -3.232 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -15.955 -4.528 -3.083 1.00 0.00 H new ATOM 524 N GLU A 37 -9.840 -1.676 -4.161 1.00 0.00 N ATOM 525 CA GLU A 37 -9.786 -2.476 -5.379 1.00 0.00 C ATOM 526 C GLU A 37 -8.343 -2.729 -5.803 1.00 0.00 C ATOM 527 O GLU A 37 -8.016 -3.799 -6.316 1.00 0.00 O ATOM 528 CB GLU A 37 -10.547 -1.776 -6.507 1.00 0.00 C ATOM 529 CG GLU A 37 -12.053 -1.771 -6.313 1.00 0.00 C ATOM 530 CD GLU A 37 -12.759 -0.803 -7.243 1.00 0.00 C ATOM 531 OE1 GLU A 37 -12.758 0.411 -6.949 1.00 0.00 O ATOM 532 OE2 GLU A 37 -13.310 -1.259 -8.267 1.00 0.00 O ATOM 0 H GLU A 37 -10.285 -0.765 -4.274 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.257 -3.437 -5.173 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.196 -0.747 -6.587 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.312 -2.267 -7.451 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -12.440 -2.776 -6.479 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -12.281 -1.508 -5.280 1.00 0.00 H new ATOM 539 N LYS A 38 -7.485 -1.738 -5.587 1.00 0.00 N ATOM 540 CA LYS A 38 -6.077 -1.854 -5.949 1.00 0.00 C ATOM 541 C LYS A 38 -5.418 -3.015 -5.210 1.00 0.00 C ATOM 542 O LYS A 38 -4.909 -3.949 -5.831 1.00 0.00 O ATOM 543 CB LYS A 38 -5.340 -0.551 -5.635 1.00 0.00 C ATOM 544 CG LYS A 38 -4.073 -0.356 -6.451 1.00 0.00 C ATOM 545 CD LYS A 38 -3.323 0.896 -6.029 1.00 0.00 C ATOM 546 CE LYS A 38 -2.552 1.502 -7.190 1.00 0.00 C ATOM 547 NZ LYS A 38 -1.224 0.854 -7.374 1.00 0.00 N ATOM 0 H LYS A 38 -7.740 -0.846 -5.163 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.018 -2.049 -7.020 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.011 0.289 -5.816 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.086 -0.534 -4.575 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.426 -1.225 -6.333 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.327 -0.289 -7.509 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.028 1.629 -5.637 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -2.634 0.653 -5.220 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.135 1.401 -8.105 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.414 2.569 -7.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -0.475 1.572 -7.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -1.085 0.133 -6.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -1.184 0.404 -8.311 1.00 0.00 H new ATOM 561 N LEU A 39 -5.431 -2.950 -3.883 1.00 0.00 N ATOM 562 CA LEU A 39 -4.834 -3.995 -3.060 1.00 0.00 C ATOM 563 C LEU A 39 -5.560 -5.323 -3.256 1.00 0.00 C ATOM 564 O LEU A 39 -4.960 -6.392 -3.148 1.00 0.00 O ATOM 565 CB LEU A 39 -4.870 -3.595 -1.584 1.00 0.00 C ATOM 566 CG LEU A 39 -4.219 -2.249 -1.263 1.00 0.00 C ATOM 567 CD1 LEU A 39 -4.621 -1.780 0.127 1.00 0.00 C ATOM 568 CD2 LEU A 39 -2.706 -2.348 -1.377 1.00 0.00 C ATOM 0 H LEU A 39 -5.849 -2.184 -3.354 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.796 -4.118 -3.371 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -5.909 -3.566 -1.256 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.373 -4.370 -1.001 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.571 -1.515 -1.988 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.148 -0.821 0.338 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.704 -1.669 0.174 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.299 -2.514 0.866 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.260 -1.381 -1.145 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.336 -3.096 -0.675 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.436 -2.638 -2.392 1.00 0.00 H new ATOM 580 N ARG A 40 -6.855 -5.246 -3.545 1.00 0.00 N ATOM 581 CA ARG A 40 -7.663 -6.441 -3.757 1.00 0.00 C ATOM 582 C ARG A 40 -7.127 -7.268 -4.910 1.00 0.00 C ATOM 583 O ARG A 40 -6.850 -8.457 -4.761 1.00 0.00 O ATOM 584 CB ARG A 40 -9.122 -6.059 -4.020 1.00 0.00 C ATOM 585 CG ARG A 40 -10.076 -7.241 -3.988 1.00 0.00 C ATOM 586 CD ARG A 40 -10.374 -7.755 -5.388 1.00 0.00 C ATOM 587 NE ARG A 40 -11.365 -6.931 -6.074 1.00 0.00 N ATOM 588 CZ ARG A 40 -12.052 -7.331 -7.141 1.00 0.00 C ATOM 589 NH1 ARG A 40 -11.858 -8.542 -7.648 1.00 0.00 N ATOM 590 NH2 ARG A 40 -12.935 -6.519 -7.705 1.00 0.00 N ATOM 0 H ARG A 40 -7.367 -4.369 -3.638 1.00 0.00 H new ATOM 0 HA ARG A 40 -7.611 -7.045 -2.851 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -9.437 -5.328 -3.275 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.192 -5.573 -4.993 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.644 -8.043 -3.389 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -11.006 -6.946 -3.502 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -9.453 -7.775 -5.971 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.735 -8.782 -5.328 1.00 0.00 H new ATOM 0 HE ARG A 40 -11.541 -5.993 -5.714 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -11.179 -9.172 -7.220 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -12.388 -8.843 -8.466 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -13.088 -5.587 -7.321 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -13.461 -6.827 -8.523 1.00 0.00 H new ATOM 604 N GLN A 41 -6.985 -6.635 -6.062 1.00 0.00 N ATOM 605 CA GLN A 41 -6.485 -7.322 -7.239 1.00 0.00 C ATOM 606 C GLN A 41 -4.978 -7.545 -7.147 1.00 0.00 C ATOM 607 O GLN A 41 -4.451 -8.516 -7.691 1.00 0.00 O ATOM 608 CB GLN A 41 -6.824 -6.534 -8.506 1.00 0.00 C ATOM 609 CG GLN A 41 -6.285 -5.113 -8.499 1.00 0.00 C ATOM 610 CD GLN A 41 -5.694 -4.709 -9.836 1.00 0.00 C ATOM 611 OE1 GLN A 41 -6.420 -4.462 -10.800 1.00 0.00 O ATOM 612 NE2 GLN A 41 -4.369 -4.638 -9.902 1.00 0.00 N ATOM 0 H GLN A 41 -7.208 -5.650 -6.207 1.00 0.00 H new ATOM 0 HA GLN A 41 -6.972 -8.296 -7.289 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.423 -7.062 -9.371 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.907 -6.503 -8.626 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.089 -4.424 -8.238 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.522 -5.021 -7.726 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -3.805 -4.851 -9.079 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -3.915 -4.370 -10.776 1.00 0.00 H new ATOM 621 N ASP A 42 -4.290 -6.642 -6.456 1.00 0.00 N ATOM 622 CA ASP A 42 -2.843 -6.742 -6.295 1.00 0.00 C ATOM 623 C ASP A 42 -2.459 -8.059 -5.628 1.00 0.00 C ATOM 624 O ASP A 42 -1.624 -8.805 -6.141 1.00 0.00 O ATOM 625 CB ASP A 42 -2.320 -5.566 -5.467 1.00 0.00 C ATOM 626 CG ASP A 42 -0.815 -5.410 -5.573 1.00 0.00 C ATOM 627 OD1 ASP A 42 -0.093 -6.086 -4.811 1.00 0.00 O ATOM 628 OD2 ASP A 42 -0.359 -4.612 -6.419 1.00 0.00 O ATOM 0 H ASP A 42 -4.710 -5.833 -5.999 1.00 0.00 H new ATOM 0 HA ASP A 42 -2.389 -6.712 -7.285 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -2.802 -4.647 -5.800 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -2.595 -5.710 -4.422 1.00 0.00 H new ATOM 633 N LEU A 43 -3.071 -8.338 -4.483 1.00 0.00 N ATOM 634 CA LEU A 43 -2.793 -9.565 -3.745 1.00 0.00 C ATOM 635 C LEU A 43 -3.860 -10.627 -4.009 1.00 0.00 C ATOM 636 O LEU A 43 -3.689 -11.791 -3.648 1.00 0.00 O ATOM 637 CB LEU A 43 -2.710 -9.273 -2.246 1.00 0.00 C ATOM 638 CG LEU A 43 -1.505 -8.435 -1.815 1.00 0.00 C ATOM 639 CD1 LEU A 43 -1.710 -7.887 -0.412 1.00 0.00 C ATOM 640 CD2 LEU A 43 -0.229 -9.263 -1.884 1.00 0.00 C ATOM 0 H LEU A 43 -3.764 -7.731 -4.045 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.835 -9.952 -4.091 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.620 -8.756 -1.941 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.686 -10.220 -1.708 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.408 -7.593 -2.501 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.843 -7.294 -0.123 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.601 -7.260 -0.393 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.833 -8.714 0.287 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.619 -8.652 -1.574 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.317 -10.124 -1.221 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.074 -9.607 -2.906 1.00 0.00 H new ATOM 652 N GLU A 44 -4.962 -10.222 -4.636 1.00 0.00 N ATOM 653 CA GLU A 44 -6.049 -11.144 -4.941 1.00 0.00 C ATOM 654 C GLU A 44 -6.641 -11.727 -3.661 1.00 0.00 C ATOM 655 O GLU A 44 -6.547 -12.929 -3.411 1.00 0.00 O ATOM 656 CB GLU A 44 -5.553 -12.270 -5.851 1.00 0.00 C ATOM 657 CG GLU A 44 -5.604 -11.923 -7.330 1.00 0.00 C ATOM 658 CD GLU A 44 -5.389 -13.132 -8.219 1.00 0.00 C ATOM 659 OE1 GLU A 44 -6.279 -14.008 -8.257 1.00 0.00 O ATOM 660 OE2 GLU A 44 -4.331 -13.204 -8.879 1.00 0.00 O ATOM 0 H GLU A 44 -5.124 -9.262 -4.942 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.830 -10.588 -5.460 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.527 -12.520 -5.580 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -6.155 -13.161 -5.674 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.570 -11.474 -7.561 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.843 -11.174 -7.550 1.00 0.00 H new ATOM 667 N ALA A 45 -7.250 -10.865 -2.852 1.00 0.00 N ATOM 668 CA ALA A 45 -7.856 -11.291 -1.597 1.00 0.00 C ATOM 669 C ALA A 45 -9.264 -11.831 -1.822 1.00 0.00 C ATOM 670 O ALA A 45 -9.831 -11.682 -2.904 1.00 0.00 O ATOM 671 CB ALA A 45 -7.883 -10.137 -0.606 1.00 0.00 C ATOM 0 H ALA A 45 -7.336 -9.867 -3.044 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.249 -12.096 -1.184 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -8.338 -10.469 0.327 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -6.865 -9.799 -0.413 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.465 -9.314 -1.021 1.00 0.00 H new ATOM 677 N GLU A 46 -9.824 -12.456 -0.792 1.00 0.00 N ATOM 678 CA GLU A 46 -11.168 -13.018 -0.876 1.00 0.00 C ATOM 679 C GLU A 46 -12.219 -11.962 -0.549 1.00 0.00 C ATOM 680 O GLU A 46 -13.074 -11.646 -1.376 1.00 0.00 O ATOM 681 CB GLU A 46 -11.307 -14.206 0.076 1.00 0.00 C ATOM 682 CG GLU A 46 -10.846 -15.524 -0.524 1.00 0.00 C ATOM 683 CD GLU A 46 -11.607 -16.714 0.026 1.00 0.00 C ATOM 684 OE1 GLU A 46 -12.726 -16.515 0.545 1.00 0.00 O ATOM 685 OE2 GLU A 46 -11.083 -17.845 -0.058 1.00 0.00 O ATOM 0 H GLU A 46 -9.368 -12.586 0.111 1.00 0.00 H new ATOM 0 HA GLU A 46 -11.329 -13.361 -1.898 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -10.731 -14.006 0.979 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -12.350 -14.299 0.378 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.968 -15.488 -1.607 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -9.782 -15.656 -0.327 1.00 0.00 H new ATOM 692 N HIS A 47 -12.150 -11.422 0.663 1.00 0.00 N ATOM 693 CA HIS A 47 -13.095 -10.402 1.101 1.00 0.00 C ATOM 694 C HIS A 47 -12.363 -9.151 1.575 1.00 0.00 C ATOM 695 O HIS A 47 -11.425 -9.231 2.368 1.00 0.00 O ATOM 696 CB HIS A 47 -13.981 -10.946 2.224 1.00 0.00 C ATOM 697 CG HIS A 47 -15.240 -11.590 1.734 1.00 0.00 C ATOM 698 ND1 HIS A 47 -15.261 -12.812 1.095 1.00 0.00 N ATOM 699 CD2 HIS A 47 -16.528 -11.174 1.790 1.00 0.00 C ATOM 700 CE1 HIS A 47 -16.506 -13.121 0.781 1.00 0.00 C ATOM 701 NE2 HIS A 47 -17.294 -12.145 1.192 1.00 0.00 N ATOM 0 H HIS A 47 -11.449 -11.674 1.360 1.00 0.00 H new ATOM 0 HA HIS A 47 -13.722 -10.134 0.251 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -13.413 -11.673 2.804 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -14.239 -10.130 2.900 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -16.886 -10.252 2.224 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -16.825 -14.020 0.274 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -18.308 -12.116 1.083 1.00 0.00 H new ATOM 710 N VAL A 48 -12.799 -7.994 1.085 1.00 0.00 N ATOM 711 CA VAL A 48 -12.185 -6.726 1.458 1.00 0.00 C ATOM 712 C VAL A 48 -13.242 -5.660 1.723 1.00 0.00 C ATOM 713 O VAL A 48 -14.273 -5.614 1.051 1.00 0.00 O ATOM 714 CB VAL A 48 -11.226 -6.222 0.364 1.00 0.00 C ATOM 715 CG1 VAL A 48 -10.017 -7.136 0.249 1.00 0.00 C ATOM 716 CG2 VAL A 48 -11.950 -6.112 -0.970 1.00 0.00 C ATOM 0 H VAL A 48 -13.575 -7.910 0.429 1.00 0.00 H new ATOM 0 HA VAL A 48 -11.618 -6.906 2.371 1.00 0.00 H new ATOM 0 HB VAL A 48 -10.874 -5.229 0.644 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -9.351 -6.763 -0.529 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -9.486 -7.158 1.201 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -10.345 -8.143 -0.007 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -11.257 -5.754 -1.732 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -12.332 -7.091 -1.258 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -12.780 -5.412 -0.877 1.00 0.00 H new ATOM 726 N GLU A 49 -12.979 -4.803 2.704 1.00 0.00 N ATOM 727 CA GLU A 49 -13.908 -3.737 3.057 1.00 0.00 C ATOM 728 C GLU A 49 -13.163 -2.433 3.326 1.00 0.00 C ATOM 729 O GLU A 49 -12.213 -2.400 4.108 1.00 0.00 O ATOM 730 CB GLU A 49 -14.728 -4.131 4.286 1.00 0.00 C ATOM 731 CG GLU A 49 -15.428 -5.473 4.146 1.00 0.00 C ATOM 732 CD GLU A 49 -16.160 -5.884 5.408 1.00 0.00 C ATOM 733 OE1 GLU A 49 -15.485 -6.189 6.414 1.00 0.00 O ATOM 734 OE2 GLU A 49 -17.409 -5.903 5.390 1.00 0.00 O ATOM 0 H GLU A 49 -12.130 -4.826 3.269 1.00 0.00 H new ATOM 0 HA GLU A 49 -14.582 -3.583 2.214 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -14.072 -4.162 5.156 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -15.474 -3.360 4.477 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -16.137 -5.424 3.319 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -14.693 -6.237 3.892 1.00 0.00 H new ATOM 741 N VAL A 50 -13.599 -1.361 2.672 1.00 0.00 N ATOM 742 CA VAL A 50 -12.972 -0.056 2.841 1.00 0.00 C ATOM 743 C VAL A 50 -13.946 0.945 3.455 1.00 0.00 C ATOM 744 O VAL A 50 -15.152 0.881 3.215 1.00 0.00 O ATOM 745 CB VAL A 50 -12.457 0.497 1.497 1.00 0.00 C ATOM 746 CG1 VAL A 50 -13.605 0.687 0.517 1.00 0.00 C ATOM 747 CG2 VAL A 50 -11.703 1.802 1.707 1.00 0.00 C ATOM 0 H VAL A 50 -14.384 -1.371 2.020 1.00 0.00 H new ATOM 0 HA VAL A 50 -12.126 -0.194 3.515 1.00 0.00 H new ATOM 0 HB VAL A 50 -11.766 -0.230 1.071 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -13.219 1.078 -0.424 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -14.094 -0.271 0.339 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -14.326 1.390 0.933 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -11.348 2.176 0.747 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -12.368 2.538 2.159 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -10.852 1.629 2.366 1.00 0.00 H new ATOM 757 N GLU A 51 -13.415 1.870 4.247 1.00 0.00 N ATOM 758 CA GLU A 51 -14.236 2.886 4.895 1.00 0.00 C ATOM 759 C GLU A 51 -13.552 4.247 4.855 1.00 0.00 C ATOM 760 O GLU A 51 -12.344 4.340 4.634 1.00 0.00 O ATOM 761 CB GLU A 51 -14.526 2.490 6.344 1.00 0.00 C ATOM 762 CG GLU A 51 -15.519 3.408 7.038 1.00 0.00 C ATOM 763 CD GLU A 51 -16.837 3.510 6.295 1.00 0.00 C ATOM 764 OE1 GLU A 51 -17.506 2.469 6.129 1.00 0.00 O ATOM 765 OE2 GLU A 51 -17.199 4.631 5.880 1.00 0.00 O ATOM 0 H GLU A 51 -12.419 1.937 4.456 1.00 0.00 H new ATOM 0 HA GLU A 51 -15.177 2.957 4.350 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -14.911 1.471 6.363 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -13.592 2.488 6.905 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -15.703 3.041 8.048 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -15.083 4.402 7.135 1.00 0.00 H new ATOM 772 N ASP A 52 -14.332 5.300 5.065 1.00 0.00 N ATOM 773 CA ASP A 52 -13.806 6.658 5.050 1.00 0.00 C ATOM 774 C ASP A 52 -14.609 7.561 5.982 1.00 0.00 C ATOM 775 O ASP A 52 -15.818 7.389 6.139 1.00 0.00 O ATOM 776 CB ASP A 52 -13.830 7.213 3.624 1.00 0.00 C ATOM 777 CG ASP A 52 -13.371 8.656 3.549 1.00 0.00 C ATOM 778 OD1 ASP A 52 -12.156 8.901 3.702 1.00 0.00 O ATOM 779 OD2 ASP A 52 -14.227 9.542 3.339 1.00 0.00 O ATOM 0 H ASP A 52 -15.334 5.239 5.248 1.00 0.00 H new ATOM 0 HA ASP A 52 -12.776 6.633 5.405 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -13.191 6.599 2.989 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -14.842 7.137 3.226 1.00 0.00 H new ATOM 904 N SER A 61 -9.176 10.588 6.730 1.00 0.00 N ATOM 905 CA SER A 61 -8.832 9.258 7.219 1.00 0.00 C ATOM 906 C SER A 61 -9.392 8.179 6.298 1.00 0.00 C ATOM 907 O SER A 61 -10.396 8.390 5.618 1.00 0.00 O ATOM 908 CB SER A 61 -9.367 9.060 8.639 1.00 0.00 C ATOM 909 OG SER A 61 -9.578 10.305 9.283 1.00 0.00 O ATOM 0 HA SER A 61 -7.745 9.172 7.232 1.00 0.00 H new ATOM 0 HB2 SER A 61 -10.303 8.502 8.604 1.00 0.00 H new ATOM 0 HB3 SER A 61 -8.661 8.463 9.217 1.00 0.00 H new ATOM 0 HG SER A 61 -9.448 11.032 8.639 1.00 0.00 H new ATOM 915 N PHE A 62 -8.735 7.023 6.280 1.00 0.00 N ATOM 916 CA PHE A 62 -9.168 5.912 5.441 1.00 0.00 C ATOM 917 C PHE A 62 -8.948 4.578 6.148 1.00 0.00 C ATOM 918 O PHE A 62 -8.073 4.455 7.005 1.00 0.00 O ATOM 919 CB PHE A 62 -8.415 5.927 4.110 1.00 0.00 C ATOM 920 CG PHE A 62 -8.971 6.906 3.115 1.00 0.00 C ATOM 921 CD1 PHE A 62 -10.193 6.672 2.504 1.00 0.00 C ATOM 922 CD2 PHE A 62 -8.272 8.057 2.791 1.00 0.00 C ATOM 923 CE1 PHE A 62 -10.707 7.570 1.589 1.00 0.00 C ATOM 924 CE2 PHE A 62 -8.781 8.958 1.875 1.00 0.00 C ATOM 925 CZ PHE A 62 -10.000 8.715 1.274 1.00 0.00 C ATOM 0 H PHE A 62 -7.902 6.832 6.836 1.00 0.00 H new ATOM 0 HA PHE A 62 -10.234 6.029 5.248 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -7.368 6.167 4.297 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -8.440 4.927 3.677 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -10.749 5.778 2.746 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -7.319 8.253 3.259 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -11.661 7.378 1.120 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.226 9.851 1.630 1.00 0.00 H new ATOM 0 HZ PHE A 62 -10.400 9.418 0.559 1.00 0.00 H new ATOM 935 N ARG A 63 -9.746 3.582 5.781 1.00 0.00 N ATOM 936 CA ARG A 63 -9.639 2.255 6.378 1.00 0.00 C ATOM 937 C ARG A 63 -9.748 1.170 5.312 1.00 0.00 C ATOM 938 O ARG A 63 -10.639 1.208 4.464 1.00 0.00 O ATOM 939 CB ARG A 63 -10.727 2.059 7.435 1.00 0.00 C ATOM 940 CG ARG A 63 -10.309 2.502 8.828 1.00 0.00 C ATOM 941 CD ARG A 63 -11.147 1.829 9.902 1.00 0.00 C ATOM 942 NE ARG A 63 -10.799 0.419 10.064 1.00 0.00 N ATOM 943 CZ ARG A 63 -11.271 -0.354 11.040 1.00 0.00 C ATOM 944 NH1 ARG A 63 -12.110 0.142 11.941 1.00 0.00 N ATOM 945 NH2 ARG A 63 -10.904 -1.626 11.114 1.00 0.00 N ATOM 0 H ARG A 63 -10.475 3.668 5.073 1.00 0.00 H new ATOM 0 HA ARG A 63 -8.662 2.175 6.854 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -11.616 2.616 7.137 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -11.006 1.006 7.466 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -9.257 2.266 8.985 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -10.409 3.584 8.912 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -11.007 2.348 10.850 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -12.203 1.915 9.645 1.00 0.00 H new ATOM 0 HE ARG A 63 -10.157 0.003 9.390 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -12.396 1.120 11.888 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -12.469 -0.454 12.687 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -10.260 -2.012 10.423 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -11.265 -2.218 11.862 1.00 0.00 H new ATOM 959 N VAL A 64 -8.835 0.205 5.360 1.00 0.00 N ATOM 960 CA VAL A 64 -8.829 -0.889 4.397 1.00 0.00 C ATOM 961 C VAL A 64 -8.743 -2.240 5.097 1.00 0.00 C ATOM 962 O VAL A 64 -7.895 -2.449 5.965 1.00 0.00 O ATOM 963 CB VAL A 64 -7.655 -0.761 3.408 1.00 0.00 C ATOM 964 CG1 VAL A 64 -7.922 0.347 2.402 1.00 0.00 C ATOM 965 CG2 VAL A 64 -6.353 -0.512 4.154 1.00 0.00 C ATOM 0 H VAL A 64 -8.090 0.159 6.055 1.00 0.00 H new ATOM 0 HA VAL A 64 -9.768 -0.828 3.846 1.00 0.00 H new ATOM 0 HB VAL A 64 -7.560 -1.700 2.862 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -7.082 0.422 1.712 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -8.831 0.121 1.844 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -8.045 1.294 2.928 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -5.535 -0.424 3.439 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -6.433 0.411 4.728 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -6.156 -1.344 4.830 1.00 0.00 H new ATOM 975 N LEU A 65 -9.625 -3.157 4.710 1.00 0.00 N ATOM 976 CA LEU A 65 -9.650 -4.491 5.298 1.00 0.00 C ATOM 977 C LEU A 65 -9.432 -5.557 4.228 1.00 0.00 C ATOM 978 O LEU A 65 -10.029 -5.503 3.154 1.00 0.00 O ATOM 979 CB LEU A 65 -10.981 -4.733 6.012 1.00 0.00 C ATOM 980 CG LEU A 65 -10.937 -5.773 7.131 1.00 0.00 C ATOM 981 CD1 LEU A 65 -10.653 -7.156 6.563 1.00 0.00 C ATOM 982 CD2 LEU A 65 -9.889 -5.395 8.167 1.00 0.00 C ATOM 0 H LEU A 65 -10.332 -3.000 3.991 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.841 -4.557 6.025 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -11.329 -3.788 6.429 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -11.719 -5.047 5.274 1.00 0.00 H new ATOM 0 HG LEU A 65 -11.911 -5.796 7.619 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -10.625 -7.884 7.374 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -11.438 -7.428 5.858 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -9.692 -7.148 6.050 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -9.871 -6.146 8.957 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -8.909 -5.344 7.692 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -10.135 -4.424 8.596 1.00 0.00 H new ATOM 994 N VAL A 66 -8.571 -6.524 4.529 1.00 0.00 N ATOM 995 CA VAL A 66 -8.274 -7.599 3.590 1.00 0.00 C ATOM 996 C VAL A 66 -8.157 -8.941 4.304 1.00 0.00 C ATOM 997 O VAL A 66 -7.641 -9.021 5.419 1.00 0.00 O ATOM 998 CB VAL A 66 -6.969 -7.327 2.819 1.00 0.00 C ATOM 999 CG1 VAL A 66 -6.779 -8.350 1.709 1.00 0.00 C ATOM 1000 CG2 VAL A 66 -6.967 -5.913 2.255 1.00 0.00 C ATOM 0 H VAL A 66 -8.068 -6.585 5.414 1.00 0.00 H new ATOM 0 HA VAL A 66 -9.104 -7.638 2.885 1.00 0.00 H new ATOM 0 HB VAL A 66 -6.134 -7.419 3.513 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -5.852 -8.141 1.176 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.732 -9.350 2.140 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.617 -8.293 1.015 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -6.037 -5.739 1.713 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -7.811 -5.791 1.576 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -7.051 -5.196 3.071 1.00 0.00 H new ATOM 1010 N VAL A 67 -8.641 -9.994 3.653 1.00 0.00 N ATOM 1011 CA VAL A 67 -8.591 -11.336 4.222 1.00 0.00 C ATOM 1012 C VAL A 67 -8.413 -12.386 3.130 1.00 0.00 C ATOM 1013 O VAL A 67 -9.243 -12.506 2.230 1.00 0.00 O ATOM 1014 CB VAL A 67 -9.870 -11.655 5.021 1.00 0.00 C ATOM 1015 CG1 VAL A 67 -9.732 -12.985 5.745 1.00 0.00 C ATOM 1016 CG2 VAL A 67 -10.179 -10.535 6.002 1.00 0.00 C ATOM 0 H VAL A 67 -9.073 -9.944 2.730 1.00 0.00 H new ATOM 0 HA VAL A 67 -7.734 -11.364 4.896 1.00 0.00 H new ATOM 0 HB VAL A 67 -10.702 -11.735 4.322 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -10.645 -13.192 6.303 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -9.563 -13.779 5.018 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -8.888 -12.939 6.434 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -11.085 -10.777 6.557 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -9.347 -10.420 6.697 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -10.326 -9.603 5.456 1.00 0.00 H new ATOM 1026 N SER A 68 -7.323 -13.144 3.215 1.00 0.00 N ATOM 1027 CA SER A 68 -7.039 -14.182 2.231 1.00 0.00 C ATOM 1028 C SER A 68 -5.793 -14.975 2.617 1.00 0.00 C ATOM 1029 O SER A 68 -5.144 -14.681 3.622 1.00 0.00 O ATOM 1030 CB SER A 68 -6.853 -13.563 0.845 1.00 0.00 C ATOM 1031 OG SER A 68 -7.388 -14.402 -0.164 1.00 0.00 O ATOM 0 H SER A 68 -6.624 -13.059 3.953 1.00 0.00 H new ATOM 0 HA SER A 68 -7.888 -14.865 2.207 1.00 0.00 H new ATOM 0 HB2 SER A 68 -7.342 -12.589 0.810 1.00 0.00 H new ATOM 0 HB3 SER A 68 -5.792 -13.395 0.658 1.00 0.00 H new ATOM 0 HG SER A 68 -6.884 -14.277 -0.995 1.00 0.00 H new ATOM 1037 N ALA A 69 -5.466 -15.979 1.811 1.00 0.00 N ATOM 1038 CA ALA A 69 -4.300 -16.817 2.065 1.00 0.00 C ATOM 1039 C ALA A 69 -3.037 -16.213 1.454 1.00 0.00 C ATOM 1040 O ALA A 69 -1.922 -16.575 1.828 1.00 0.00 O ATOM 1041 CB ALA A 69 -4.530 -18.218 1.522 1.00 0.00 C ATOM 0 H ALA A 69 -5.993 -16.233 0.975 1.00 0.00 H new ATOM 0 HA ALA A 69 -4.156 -16.873 3.144 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.652 -18.833 1.718 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -5.399 -18.659 2.010 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.705 -18.168 0.447 1.00 0.00 H new ATOM 1047 N LYS A 70 -3.216 -15.289 0.512 1.00 0.00 N ATOM 1048 CA LYS A 70 -2.088 -14.638 -0.148 1.00 0.00 C ATOM 1049 C LYS A 70 -1.122 -14.047 0.876 1.00 0.00 C ATOM 1050 O LYS A 70 0.085 -13.989 0.645 1.00 0.00 O ATOM 1051 CB LYS A 70 -2.587 -13.540 -1.089 1.00 0.00 C ATOM 1052 CG LYS A 70 -1.471 -12.806 -1.818 1.00 0.00 C ATOM 1053 CD LYS A 70 -0.788 -13.702 -2.839 1.00 0.00 C ATOM 1054 CE LYS A 70 -1.694 -13.990 -4.025 1.00 0.00 C ATOM 1055 NZ LYS A 70 -1.567 -15.398 -4.492 1.00 0.00 N ATOM 0 H LYS A 70 -4.131 -14.975 0.189 1.00 0.00 H new ATOM 0 HA LYS A 70 -1.555 -15.391 -0.728 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.260 -13.982 -1.824 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -3.170 -12.819 -0.515 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -1.878 -11.927 -2.318 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -0.736 -12.450 -1.096 1.00 0.00 H new ATOM 0 HD2 LYS A 70 0.128 -13.225 -3.187 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -0.499 -14.640 -2.365 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -2.729 -13.792 -3.748 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -1.448 -13.313 -4.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -2.201 -15.554 -5.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -0.585 -15.581 -4.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -1.827 -16.045 -3.720 1.00 0.00 H new ATOM 1069 N PHE A 71 -1.664 -13.610 2.009 1.00 0.00 N ATOM 1070 CA PHE A 71 -0.852 -13.024 3.069 1.00 0.00 C ATOM 1071 C PHE A 71 -0.079 -14.102 3.822 1.00 0.00 C ATOM 1072 O PHE A 71 1.025 -13.862 4.310 1.00 0.00 O ATOM 1073 CB PHE A 71 -1.734 -12.240 4.041 1.00 0.00 C ATOM 1074 CG PHE A 71 -2.132 -10.885 3.529 1.00 0.00 C ATOM 1075 CD1 PHE A 71 -1.188 -10.034 2.975 1.00 0.00 C ATOM 1076 CD2 PHE A 71 -3.449 -10.461 3.601 1.00 0.00 C ATOM 1077 CE1 PHE A 71 -1.551 -8.787 2.503 1.00 0.00 C ATOM 1078 CE2 PHE A 71 -3.817 -9.215 3.133 1.00 0.00 C ATOM 1079 CZ PHE A 71 -2.867 -8.377 2.581 1.00 0.00 C ATOM 0 H PHE A 71 -2.662 -13.651 2.216 1.00 0.00 H new ATOM 0 HA PHE A 71 -0.136 -12.343 2.609 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -2.633 -12.819 4.251 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -1.204 -12.121 4.986 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -0.157 -10.349 2.912 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -4.197 -11.113 4.028 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -0.806 -8.134 2.073 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -4.847 -8.896 3.198 1.00 0.00 H new ATOM 0 HZ PHE A 71 -3.153 -7.403 2.211 1.00 0.00 H new ATOM 1089 N GLU A 72 -0.667 -15.291 3.915 1.00 0.00 N ATOM 1090 CA GLU A 72 -0.034 -16.404 4.608 1.00 0.00 C ATOM 1091 C GLU A 72 1.299 -16.764 3.960 1.00 0.00 C ATOM 1092 O GLU A 72 2.225 -17.220 4.632 1.00 0.00 O ATOM 1093 CB GLU A 72 -0.964 -17.620 4.608 1.00 0.00 C ATOM 1094 CG GLU A 72 -1.647 -17.864 5.943 1.00 0.00 C ATOM 1095 CD GLU A 72 -0.750 -18.575 6.937 1.00 0.00 C ATOM 1096 OE1 GLU A 72 -0.279 -19.688 6.621 1.00 0.00 O ATOM 1097 OE2 GLU A 72 -0.518 -18.020 8.032 1.00 0.00 O ATOM 0 H GLU A 72 -1.582 -15.507 3.518 1.00 0.00 H new ATOM 0 HA GLU A 72 0.158 -16.100 5.637 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.725 -17.485 3.839 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -0.390 -18.506 4.336 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.965 -16.910 6.364 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -2.547 -18.457 5.783 1.00 0.00 H new ATOM 1104 N GLY A 73 1.391 -16.555 2.651 1.00 0.00 N ATOM 1105 CA GLY A 73 2.614 -16.862 1.934 1.00 0.00 C ATOM 1106 C GLY A 73 3.800 -16.065 2.442 1.00 0.00 C ATOM 1107 O GLY A 73 4.925 -16.564 2.470 1.00 0.00 O ATOM 0 H GLY A 73 0.639 -16.178 2.074 1.00 0.00 H new ATOM 0 HA2 GLY A 73 2.829 -17.927 2.027 1.00 0.00 H new ATOM 0 HA3 GLY A 73 2.471 -16.658 0.873 1.00 0.00 H new ATOM 1111 N LYS A 74 3.548 -14.823 2.843 1.00 0.00 N ATOM 1112 CA LYS A 74 4.604 -13.954 3.351 1.00 0.00 C ATOM 1113 C LYS A 74 4.395 -13.654 4.833 1.00 0.00 C ATOM 1114 O LYS A 74 3.286 -13.782 5.350 1.00 0.00 O ATOM 1115 CB LYS A 74 4.644 -12.648 2.554 1.00 0.00 C ATOM 1116 CG LYS A 74 5.356 -12.774 1.217 1.00 0.00 C ATOM 1117 CD LYS A 74 5.730 -11.412 0.656 1.00 0.00 C ATOM 1118 CE LYS A 74 5.720 -11.413 -0.864 1.00 0.00 C ATOM 1119 NZ LYS A 74 6.521 -12.536 -1.424 1.00 0.00 N ATOM 0 H LYS A 74 2.622 -14.396 2.826 1.00 0.00 H new ATOM 0 HA LYS A 74 5.556 -14.472 3.235 1.00 0.00 H new ATOM 0 HB2 LYS A 74 3.624 -12.305 2.382 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.141 -11.883 3.150 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.255 -13.379 1.338 1.00 0.00 H new ATOM 0 HG3 LYS A 74 4.713 -13.297 0.509 1.00 0.00 H new ATOM 0 HD2 LYS A 74 5.031 -10.661 1.025 1.00 0.00 H new ATOM 0 HD3 LYS A 74 6.720 -11.129 1.014 1.00 0.00 H new ATOM 0 HE2 LYS A 74 4.692 -11.487 -1.220 1.00 0.00 H new ATOM 0 HE3 LYS A 74 6.117 -10.466 -1.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 6.674 -12.380 -2.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 7.440 -12.583 -0.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 6.010 -13.431 -1.284 1.00 0.00 H new ATOM 1133 N PRO A 75 5.464 -13.247 5.539 1.00 0.00 N ATOM 1134 CA PRO A 75 5.391 -12.927 6.969 1.00 0.00 C ATOM 1135 C PRO A 75 4.511 -11.713 7.246 1.00 0.00 C ATOM 1136 O PRO A 75 3.775 -11.255 6.372 1.00 0.00 O ATOM 1137 CB PRO A 75 6.846 -12.634 7.350 1.00 0.00 C ATOM 1138 CG PRO A 75 7.512 -12.265 6.070 1.00 0.00 C ATOM 1139 CD PRO A 75 6.824 -13.065 5.002 1.00 0.00 C ATOM 0 HA PRO A 75 4.945 -13.739 7.544 1.00 0.00 H new ATOM 0 HB2 PRO A 75 6.908 -11.823 8.076 1.00 0.00 H new ATOM 0 HB3 PRO A 75 7.318 -13.505 7.804 1.00 0.00 H new ATOM 0 HG2 PRO A 75 7.421 -11.196 5.877 1.00 0.00 H new ATOM 0 HG3 PRO A 75 8.577 -12.494 6.104 1.00 0.00 H new ATOM 0 HD2 PRO A 75 6.813 -12.537 4.048 1.00 0.00 H new ATOM 0 HD3 PRO A 75 7.321 -14.020 4.832 1.00 0.00 H new ATOM 1147 N LEU A 76 4.591 -11.197 8.468 1.00 0.00 N ATOM 1148 CA LEU A 76 3.800 -10.036 8.861 1.00 0.00 C ATOM 1149 C LEU A 76 4.446 -8.742 8.375 1.00 0.00 C ATOM 1150 O LEU A 76 3.757 -7.763 8.087 1.00 0.00 O ATOM 1151 CB LEU A 76 3.637 -9.997 10.382 1.00 0.00 C ATOM 1152 CG LEU A 76 2.754 -8.865 10.910 1.00 0.00 C ATOM 1153 CD1 LEU A 76 1.306 -9.319 11.009 1.00 0.00 C ATOM 1154 CD2 LEU A 76 3.257 -8.384 12.262 1.00 0.00 C ATOM 0 H LEU A 76 5.195 -11.564 9.203 1.00 0.00 H new ATOM 0 HA LEU A 76 2.818 -10.125 8.397 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.218 -10.948 10.712 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.624 -9.909 10.836 1.00 0.00 H new ATOM 0 HG LEU A 76 2.805 -8.033 10.208 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.693 -8.500 11.386 1.00 0.00 H new ATOM 0 HD12 LEU A 76 0.949 -9.615 10.022 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.237 -10.168 11.689 1.00 0.00 H new ATOM 0 HD21 LEU A 76 2.617 -7.579 12.623 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.236 -9.210 12.973 1.00 0.00 H new ATOM 0 HD23 LEU A 76 4.279 -8.018 12.161 1.00 0.00 H new ATOM 1166 N LEU A 77 5.772 -8.744 8.287 1.00 0.00 N ATOM 1167 CA LEU A 77 6.509 -7.569 7.837 1.00 0.00 C ATOM 1168 C LEU A 77 6.381 -7.389 6.327 1.00 0.00 C ATOM 1169 O LEU A 77 6.370 -6.264 5.826 1.00 0.00 O ATOM 1170 CB LEU A 77 7.985 -7.685 8.225 1.00 0.00 C ATOM 1171 CG LEU A 77 8.633 -9.036 7.913 1.00 0.00 C ATOM 1172 CD1 LEU A 77 10.045 -8.843 7.382 1.00 0.00 C ATOM 1173 CD2 LEU A 77 8.646 -9.919 9.154 1.00 0.00 C ATOM 0 H LEU A 77 6.358 -9.546 8.521 1.00 0.00 H new ATOM 0 HA LEU A 77 6.080 -6.695 8.326 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.543 -6.904 7.709 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.080 -7.492 9.293 1.00 0.00 H new ATOM 0 HG LEU A 77 8.042 -9.531 7.142 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.489 -9.815 7.166 1.00 0.00 H new ATOM 0 HD12 LEU A 77 10.012 -8.248 6.469 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.648 -8.327 8.130 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.110 -10.876 8.915 1.00 0.00 H new ATOM 0 HD22 LEU A 77 9.214 -9.428 9.944 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.623 -10.086 9.492 1.00 0.00 H new ATOM 1185 N GLN A 78 6.286 -8.502 5.607 1.00 0.00 N ATOM 1186 CA GLN A 78 6.161 -8.465 4.155 1.00 0.00 C ATOM 1187 C GLN A 78 4.754 -8.043 3.740 1.00 0.00 C ATOM 1188 O GLN A 78 4.583 -7.177 2.881 1.00 0.00 O ATOM 1189 CB GLN A 78 6.493 -9.833 3.558 1.00 0.00 C ATOM 1190 CG GLN A 78 7.922 -9.946 3.053 1.00 0.00 C ATOM 1191 CD GLN A 78 8.947 -9.691 4.141 1.00 0.00 C ATOM 1192 OE1 GLN A 78 9.337 -10.604 4.869 1.00 0.00 O ATOM 1193 NE2 GLN A 78 9.389 -8.444 4.257 1.00 0.00 N ATOM 0 H GLN A 78 6.293 -9.441 6.006 1.00 0.00 H new ATOM 0 HA GLN A 78 6.869 -7.729 3.773 1.00 0.00 H new ATOM 0 HB2 GLN A 78 6.321 -10.601 4.313 1.00 0.00 H new ATOM 0 HB3 GLN A 78 5.808 -10.037 2.735 1.00 0.00 H new ATOM 0 HG2 GLN A 78 8.079 -10.941 2.637 1.00 0.00 H new ATOM 0 HG3 GLN A 78 8.074 -9.234 2.242 1.00 0.00 H new ATOM 0 HE21 GLN A 78 9.038 -7.718 3.632 1.00 0.00 H new ATOM 0 HE22 GLN A 78 10.079 -8.212 4.971 1.00 0.00 H new ATOM 1202 N ARG A 79 3.750 -8.662 4.353 1.00 0.00 N ATOM 1203 CA ARG A 79 2.358 -8.352 4.043 1.00 0.00 C ATOM 1204 C ARG A 79 2.060 -6.876 4.290 1.00 0.00 C ATOM 1205 O ARG A 79 1.437 -6.213 3.462 1.00 0.00 O ATOM 1206 CB ARG A 79 1.420 -9.220 4.885 1.00 0.00 C ATOM 1207 CG ARG A 79 1.561 -8.996 6.381 1.00 0.00 C ATOM 1208 CD ARG A 79 0.667 -9.939 7.171 1.00 0.00 C ATOM 1209 NE ARG A 79 1.112 -11.327 7.071 1.00 0.00 N ATOM 1210 CZ ARG A 79 0.533 -12.339 7.713 1.00 0.00 C ATOM 1211 NH1 ARG A 79 -0.513 -12.123 8.499 1.00 0.00 N ATOM 1212 NH2 ARG A 79 1.001 -13.571 7.565 1.00 0.00 N ATOM 0 H ARG A 79 3.874 -9.380 5.066 1.00 0.00 H new ATOM 0 HA ARG A 79 2.192 -8.566 2.987 1.00 0.00 H new ATOM 0 HB2 ARG A 79 0.390 -9.017 4.591 1.00 0.00 H new ATOM 0 HB3 ARG A 79 1.614 -10.270 4.664 1.00 0.00 H new ATOM 0 HG2 ARG A 79 2.600 -9.145 6.676 1.00 0.00 H new ATOM 0 HG3 ARG A 79 1.306 -7.964 6.621 1.00 0.00 H new ATOM 0 HD2 ARG A 79 0.656 -9.636 8.218 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -0.357 -9.859 6.806 1.00 0.00 H new ATOM 0 HE ARG A 79 1.913 -11.533 6.474 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -0.878 -11.177 8.614 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -0.953 -12.902 8.988 1.00 0.00 H new ATOM 0 HH21 ARG A 79 1.804 -13.742 6.960 1.00 0.00 H new ATOM 0 HH22 ARG A 79 0.558 -14.347 8.057 1.00 0.00 H new ATOM 1226 N HIS A 80 2.510 -6.368 5.433 1.00 0.00 N ATOM 1227 CA HIS A 80 2.290 -4.970 5.786 1.00 0.00 C ATOM 1228 C HIS A 80 3.025 -4.044 4.822 1.00 0.00 C ATOM 1229 O HIS A 80 2.537 -2.963 4.490 1.00 0.00 O ATOM 1230 CB HIS A 80 2.755 -4.706 7.220 1.00 0.00 C ATOM 1231 CG HIS A 80 1.690 -4.936 8.245 1.00 0.00 C ATOM 1232 ND1 HIS A 80 1.855 -4.640 9.582 1.00 0.00 N ATOM 1233 CD2 HIS A 80 0.437 -5.438 8.125 1.00 0.00 C ATOM 1234 CE1 HIS A 80 0.752 -4.951 10.239 1.00 0.00 C ATOM 1235 NE2 HIS A 80 -0.124 -5.436 9.378 1.00 0.00 N ATOM 0 H HIS A 80 3.029 -6.903 6.130 1.00 0.00 H new ATOM 0 HA HIS A 80 1.222 -4.766 5.714 1.00 0.00 H new ATOM 0 HB2 HIS A 80 3.606 -5.350 7.442 1.00 0.00 H new ATOM 0 HB3 HIS A 80 3.105 -3.677 7.296 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -0.033 -5.777 7.213 1.00 0.00 H new ATOM 0 HE1 HIS A 80 0.594 -4.829 11.300 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -1.065 -5.757 9.607 1.00 0.00 H new ATOM 1244 N ARG A 81 4.200 -4.475 4.375 1.00 0.00 N ATOM 1245 CA ARG A 81 5.001 -3.685 3.448 1.00 0.00 C ATOM 1246 C ARG A 81 4.350 -3.637 2.070 1.00 0.00 C ATOM 1247 O ARG A 81 4.315 -2.589 1.424 1.00 0.00 O ATOM 1248 CB ARG A 81 6.414 -4.265 3.340 1.00 0.00 C ATOM 1249 CG ARG A 81 7.422 -3.585 4.251 1.00 0.00 C ATOM 1250 CD ARG A 81 8.832 -4.094 4.000 1.00 0.00 C ATOM 1251 NE ARG A 81 9.494 -3.360 2.923 1.00 0.00 N ATOM 1252 CZ ARG A 81 10.784 -3.491 2.622 1.00 0.00 C ATOM 1253 NH1 ARG A 81 11.553 -4.323 3.312 1.00 0.00 N ATOM 1254 NH2 ARG A 81 11.307 -2.788 1.626 1.00 0.00 N ATOM 0 H ARG A 81 4.618 -5.367 4.640 1.00 0.00 H new ATOM 0 HA ARG A 81 5.062 -2.668 3.835 1.00 0.00 H new ATOM 0 HB2 ARG A 81 6.381 -5.328 3.579 1.00 0.00 H new ATOM 0 HB3 ARG A 81 6.755 -4.180 2.308 1.00 0.00 H new ATOM 0 HG2 ARG A 81 7.389 -2.507 4.091 1.00 0.00 H new ATOM 0 HG3 ARG A 81 7.150 -3.761 5.292 1.00 0.00 H new ATOM 0 HD2 ARG A 81 9.418 -4.004 4.914 1.00 0.00 H new ATOM 0 HD3 ARG A 81 8.796 -5.154 3.748 1.00 0.00 H new ATOM 0 HE ARG A 81 8.935 -2.710 2.370 1.00 0.00 H new ATOM 0 HH11 ARG A 81 11.157 -4.867 4.078 1.00 0.00 H new ATOM 0 HH12 ARG A 81 12.541 -4.419 3.076 1.00 0.00 H new ATOM 0 HH21 ARG A 81 10.721 -2.147 1.091 1.00 0.00 H new ATOM 0 HH22 ARG A 81 12.295 -2.888 1.395 1.00 0.00 H new ATOM 1268 N LEU A 82 3.832 -4.778 1.625 1.00 0.00 N ATOM 1269 CA LEU A 82 3.181 -4.867 0.324 1.00 0.00 C ATOM 1270 C LEU A 82 2.016 -3.888 0.229 1.00 0.00 C ATOM 1271 O LEU A 82 1.709 -3.374 -0.847 1.00 0.00 O ATOM 1272 CB LEU A 82 2.688 -6.294 0.077 1.00 0.00 C ATOM 1273 CG LEU A 82 3.677 -7.205 -0.652 1.00 0.00 C ATOM 1274 CD1 LEU A 82 3.385 -8.665 -0.344 1.00 0.00 C ATOM 1275 CD2 LEU A 82 3.626 -6.954 -2.151 1.00 0.00 C ATOM 0 H LEU A 82 3.851 -5.654 2.147 1.00 0.00 H new ATOM 0 HA LEU A 82 3.912 -4.605 -0.441 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.440 -6.747 1.037 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.766 -6.248 -0.502 1.00 0.00 H new ATOM 0 HG LEU A 82 4.682 -6.975 -0.299 1.00 0.00 H new ATOM 0 HD11 LEU A 82 4.099 -9.298 -0.871 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.473 -8.835 0.729 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.374 -8.910 -0.669 1.00 0.00 H new ATOM 0 HD21 LEU A 82 4.336 -7.610 -2.654 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.620 -7.156 -2.520 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.885 -5.915 -2.355 1.00 0.00 H new ATOM 1287 N VAL A 83 1.368 -3.633 1.362 1.00 0.00 N ATOM 1288 CA VAL A 83 0.238 -2.714 1.405 1.00 0.00 C ATOM 1289 C VAL A 83 0.683 -1.282 1.129 1.00 0.00 C ATOM 1290 O VAL A 83 0.207 -0.643 0.190 1.00 0.00 O ATOM 1291 CB VAL A 83 -0.476 -2.763 2.768 1.00 0.00 C ATOM 1292 CG1 VAL A 83 -1.762 -1.952 2.729 1.00 0.00 C ATOM 1293 CG2 VAL A 83 -0.756 -4.203 3.172 1.00 0.00 C ATOM 0 H VAL A 83 1.607 -4.050 2.262 1.00 0.00 H new ATOM 0 HA VAL A 83 -0.457 -3.033 0.628 1.00 0.00 H new ATOM 0 HB VAL A 83 0.181 -2.320 3.517 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -2.252 -1.999 3.702 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.531 -0.914 2.489 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.427 -2.360 1.968 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.261 -4.218 4.138 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.392 -4.674 2.423 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.184 -4.750 3.245 1.00 0.00 H new ATOM 1303 N ASN A 84 1.597 -0.782 1.954 1.00 0.00 N ATOM 1304 CA ASN A 84 2.106 0.575 1.798 1.00 0.00 C ATOM 1305 C ASN A 84 2.901 0.714 0.503 1.00 0.00 C ATOM 1306 O ASN A 84 2.891 1.768 -0.133 1.00 0.00 O ATOM 1307 CB ASN A 84 2.985 0.955 2.991 1.00 0.00 C ATOM 1308 CG ASN A 84 4.010 -0.113 3.319 1.00 0.00 C ATOM 1309 OD1 ASN A 84 3.868 -0.846 4.298 1.00 0.00 O ATOM 1310 ND2 ASN A 84 5.051 -0.206 2.500 1.00 0.00 N ATOM 0 H ASN A 84 2.000 -1.296 2.737 1.00 0.00 H new ATOM 0 HA ASN A 84 1.252 1.251 1.754 1.00 0.00 H new ATOM 0 HB2 ASN A 84 3.498 1.893 2.777 1.00 0.00 H new ATOM 0 HB3 ASN A 84 2.354 1.129 3.863 1.00 0.00 H new ATOM 0 HD21 ASN A 84 5.773 -0.906 2.671 1.00 0.00 H new ATOM 0 HD22 ASN A 84 5.128 0.422 1.700 1.00 0.00 H new ATOM 1317 N GLU A 85 3.588 -0.357 0.117 1.00 0.00 N ATOM 1318 CA GLU A 85 4.387 -0.355 -1.103 1.00 0.00 C ATOM 1319 C GLU A 85 3.532 -0.006 -2.317 1.00 0.00 C ATOM 1320 O GLU A 85 3.980 0.697 -3.222 1.00 0.00 O ATOM 1321 CB GLU A 85 5.048 -1.719 -1.306 1.00 0.00 C ATOM 1322 CG GLU A 85 6.349 -1.879 -0.538 1.00 0.00 C ATOM 1323 CD GLU A 85 7.500 -2.320 -1.423 1.00 0.00 C ATOM 1324 OE1 GLU A 85 8.050 -1.466 -2.149 1.00 0.00 O ATOM 1325 OE2 GLU A 85 7.851 -3.518 -1.387 1.00 0.00 O ATOM 0 H GLU A 85 3.607 -1.237 0.632 1.00 0.00 H new ATOM 0 HA GLU A 85 5.161 0.405 -0.998 1.00 0.00 H new ATOM 0 HB2 GLU A 85 4.354 -2.500 -0.997 1.00 0.00 H new ATOM 0 HB3 GLU A 85 5.241 -1.866 -2.369 1.00 0.00 H new ATOM 0 HG2 GLU A 85 6.604 -0.932 -0.062 1.00 0.00 H new ATOM 0 HG3 GLU A 85 6.208 -2.609 0.259 1.00 0.00 H new ATOM 1332 N CYS A 86 2.299 -0.501 -2.328 1.00 0.00 N ATOM 1333 CA CYS A 86 1.380 -0.241 -3.430 1.00 0.00 C ATOM 1334 C CYS A 86 0.975 1.230 -3.463 1.00 0.00 C ATOM 1335 O CYS A 86 1.156 1.913 -4.472 1.00 0.00 O ATOM 1336 CB CYS A 86 0.136 -1.121 -3.304 1.00 0.00 C ATOM 1337 SG CYS A 86 -0.517 -1.707 -4.885 1.00 0.00 S ATOM 0 H CYS A 86 1.913 -1.085 -1.586 1.00 0.00 H new ATOM 0 HA CYS A 86 1.892 -0.481 -4.362 1.00 0.00 H new ATOM 0 HB2 CYS A 86 0.375 -1.982 -2.680 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -0.642 -0.559 -2.787 1.00 0.00 H new ATOM 0 HG CYS A 86 -0.063 -2.901 -5.126 1.00 0.00 H new ATOM 1343 N LEU A 87 0.425 1.711 -2.353 1.00 0.00 N ATOM 1344 CA LEU A 87 -0.007 3.101 -2.254 1.00 0.00 C ATOM 1345 C LEU A 87 1.016 3.932 -1.485 1.00 0.00 C ATOM 1346 O LEU A 87 0.655 4.770 -0.658 1.00 0.00 O ATOM 1347 CB LEU A 87 -1.372 3.185 -1.568 1.00 0.00 C ATOM 1348 CG LEU A 87 -2.386 2.129 -2.012 1.00 0.00 C ATOM 1349 CD1 LEU A 87 -3.400 1.866 -0.909 1.00 0.00 C ATOM 1350 CD2 LEU A 87 -3.084 2.567 -3.290 1.00 0.00 C ATOM 0 H LEU A 87 0.268 1.159 -1.510 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.092 3.504 -3.263 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -1.227 3.097 -0.491 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.794 4.173 -1.753 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.852 1.200 -2.214 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.113 1.112 -1.243 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.884 1.508 -0.018 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -3.930 2.789 -0.675 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.802 1.805 -3.592 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -3.606 3.508 -3.115 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.345 2.703 -4.080 1.00 0.00 H new ATOM 1362 N ALA A 88 2.293 3.696 -1.765 1.00 0.00 N ATOM 1363 CA ALA A 88 3.369 4.421 -1.100 1.00 0.00 C ATOM 1364 C ALA A 88 3.346 5.899 -1.471 1.00 0.00 C ATOM 1365 O ALA A 88 3.600 6.763 -0.632 1.00 0.00 O ATOM 1366 CB ALA A 88 4.715 3.806 -1.453 1.00 0.00 C ATOM 0 H ALA A 88 2.608 3.008 -2.449 1.00 0.00 H new ATOM 0 HA ALA A 88 3.217 4.342 -0.024 1.00 0.00 H new ATOM 0 HB1 ALA A 88 5.510 4.357 -0.950 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.735 2.765 -1.131 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.866 3.855 -2.531 1.00 0.00 H new ATOM 1372 N GLU A 89 3.043 6.184 -2.733 1.00 0.00 N ATOM 1373 CA GLU A 89 2.990 7.559 -3.215 1.00 0.00 C ATOM 1374 C GLU A 89 1.725 8.260 -2.726 1.00 0.00 C ATOM 1375 O GLU A 89 1.754 9.439 -2.373 1.00 0.00 O ATOM 1376 CB GLU A 89 3.044 7.589 -4.743 1.00 0.00 C ATOM 1377 CG GLU A 89 4.447 7.416 -5.304 1.00 0.00 C ATOM 1378 CD GLU A 89 4.572 7.929 -6.726 1.00 0.00 C ATOM 1379 OE1 GLU A 89 3.986 8.989 -7.028 1.00 0.00 O ATOM 1380 OE2 GLU A 89 5.258 7.270 -7.536 1.00 0.00 O ATOM 0 H GLU A 89 2.830 5.481 -3.441 1.00 0.00 H new ATOM 0 HA GLU A 89 3.855 8.090 -2.817 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.404 6.800 -5.137 1.00 0.00 H new ATOM 0 HB3 GLU A 89 2.635 8.536 -5.095 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.157 7.944 -4.667 1.00 0.00 H new ATOM 0 HG3 GLU A 89 4.718 6.361 -5.277 1.00 0.00 H new ATOM 1387 N GLU A 90 0.617 7.528 -2.715 1.00 0.00 N ATOM 1388 CA GLU A 90 -0.662 8.077 -2.274 1.00 0.00 C ATOM 1389 C GLU A 90 -0.717 8.209 -0.754 1.00 0.00 C ATOM 1390 O GLU A 90 -1.400 9.085 -0.223 1.00 0.00 O ATOM 1391 CB GLU A 90 -1.813 7.194 -2.761 1.00 0.00 C ATOM 1392 CG GLU A 90 -2.129 7.365 -4.238 1.00 0.00 C ATOM 1393 CD GLU A 90 -0.911 7.170 -5.121 1.00 0.00 C ATOM 1394 OE1 GLU A 90 -0.205 8.165 -5.388 1.00 0.00 O ATOM 1395 OE2 GLU A 90 -0.666 6.022 -5.548 1.00 0.00 O ATOM 0 H GLU A 90 0.578 6.551 -3.007 1.00 0.00 H new ATOM 0 HA GLU A 90 -0.763 9.073 -2.705 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -1.565 6.150 -2.570 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -2.706 7.421 -2.178 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -2.900 6.651 -4.526 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -2.539 8.361 -4.405 1.00 0.00 H new ATOM 1402 N LEU A 91 -0.004 7.328 -0.058 1.00 0.00 N ATOM 1403 CA LEU A 91 0.019 7.339 1.405 1.00 0.00 C ATOM 1404 C LEU A 91 0.246 8.748 1.953 1.00 0.00 C ATOM 1405 O LEU A 91 -0.575 9.264 2.712 1.00 0.00 O ATOM 1406 CB LEU A 91 1.104 6.390 1.925 1.00 0.00 C ATOM 1407 CG LEU A 91 0.597 5.031 2.410 1.00 0.00 C ATOM 1408 CD1 LEU A 91 1.738 4.217 3.000 1.00 0.00 C ATOM 1409 CD2 LEU A 91 -0.517 5.209 3.430 1.00 0.00 C ATOM 0 H LEU A 91 0.566 6.596 -0.482 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.955 6.997 1.755 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.833 6.227 1.131 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.630 6.878 2.745 1.00 0.00 H new ATOM 0 HG LEU A 91 0.194 4.489 1.555 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.359 3.253 3.340 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.503 4.059 2.240 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.171 4.755 3.844 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.865 4.231 3.763 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.141 5.771 4.285 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.345 5.752 2.974 1.00 0.00 H new ATOM 1421 N PRO A 92 1.366 9.393 1.580 1.00 0.00 N ATOM 1422 CA PRO A 92 1.691 10.745 2.043 1.00 0.00 C ATOM 1423 C PRO A 92 0.494 11.692 1.976 1.00 0.00 C ATOM 1424 O PRO A 92 0.358 12.593 2.802 1.00 0.00 O ATOM 1425 CB PRO A 92 2.777 11.193 1.067 1.00 0.00 C ATOM 1426 CG PRO A 92 3.458 9.932 0.658 1.00 0.00 C ATOM 1427 CD PRO A 92 2.406 8.853 0.682 1.00 0.00 C ATOM 0 HA PRO A 92 1.999 10.755 3.089 1.00 0.00 H new ATOM 0 HB2 PRO A 92 2.349 11.709 0.208 1.00 0.00 H new ATOM 0 HB3 PRO A 92 3.474 11.885 1.540 1.00 0.00 H new ATOM 0 HG2 PRO A 92 3.891 10.030 -0.337 1.00 0.00 H new ATOM 0 HG3 PRO A 92 4.275 9.693 1.339 1.00 0.00 H new ATOM 0 HD2 PRO A 92 2.011 8.657 -0.315 1.00 0.00 H new ATOM 0 HD3 PRO A 92 2.808 7.911 1.056 1.00 0.00 H new ATOM 1435 N HIS A 93 -0.369 11.479 0.987 1.00 0.00 N ATOM 1436 CA HIS A 93 -1.553 12.314 0.815 1.00 0.00 C ATOM 1437 C HIS A 93 -2.616 11.974 1.854 1.00 0.00 C ATOM 1438 O HIS A 93 -3.387 12.838 2.275 1.00 0.00 O ATOM 1439 CB HIS A 93 -2.125 12.139 -0.593 1.00 0.00 C ATOM 1440 CG HIS A 93 -1.191 12.581 -1.677 1.00 0.00 C ATOM 1441 ND1 HIS A 93 -1.190 13.858 -2.196 1.00 0.00 N ATOM 1442 CD2 HIS A 93 -0.223 11.906 -2.341 1.00 0.00 C ATOM 1443 CE1 HIS A 93 -0.262 13.951 -3.132 1.00 0.00 C ATOM 1444 NE2 HIS A 93 0.338 12.780 -3.239 1.00 0.00 N ATOM 0 H HIS A 93 -0.271 10.737 0.294 1.00 0.00 H new ATOM 0 HA HIS A 93 -1.256 13.354 0.953 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -2.376 11.090 -0.747 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -3.054 12.704 -0.672 1.00 0.00 H new ATOM 0 HD2 HIS A 93 0.056 10.873 -2.192 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -0.033 14.834 -3.710 1.00 0.00 H new ATOM 0 HE2 HIS A 93 1.096 12.560 -3.885 1.00 0.00 H new ATOM 1453 N ILE A 94 -2.652 10.711 2.265 1.00 0.00 N ATOM 1454 CA ILE A 94 -3.620 10.256 3.255 1.00 0.00 C ATOM 1455 C ILE A 94 -3.247 10.741 4.651 1.00 0.00 C ATOM 1456 O ILE A 94 -2.189 10.397 5.178 1.00 0.00 O ATOM 1457 CB ILE A 94 -3.727 8.719 3.273 1.00 0.00 C ATOM 1458 CG1 ILE A 94 -3.890 8.177 1.852 1.00 0.00 C ATOM 1459 CG2 ILE A 94 -4.890 8.278 4.150 1.00 0.00 C ATOM 1460 CD1 ILE A 94 -5.178 8.606 1.184 1.00 0.00 C ATOM 0 H ILE A 94 -2.021 9.984 1.927 1.00 0.00 H new ATOM 0 HA ILE A 94 -4.584 10.678 2.970 1.00 0.00 H new ATOM 0 HB ILE A 94 -2.806 8.313 3.692 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.048 8.511 1.246 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.851 7.088 1.881 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -4.952 7.190 4.152 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -4.734 8.634 5.168 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.819 8.693 3.759 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -5.225 8.185 0.180 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -6.027 8.249 1.767 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -5.211 9.694 1.123 1.00 0.00 H new ATOM 1472 N HIS A 95 -4.125 11.542 5.248 1.00 0.00 N ATOM 1473 CA HIS A 95 -3.888 12.072 6.586 1.00 0.00 C ATOM 1474 C HIS A 95 -3.888 10.953 7.621 1.00 0.00 C ATOM 1475 O HIS A 95 -3.183 11.024 8.629 1.00 0.00 O ATOM 1476 CB HIS A 95 -4.952 13.112 6.941 1.00 0.00 C ATOM 1477 CG HIS A 95 -4.548 14.024 8.058 1.00 0.00 C ATOM 1478 ND1 HIS A 95 -4.508 15.396 7.932 1.00 0.00 N ATOM 1479 CD2 HIS A 95 -4.165 13.753 9.329 1.00 0.00 C ATOM 1480 CE1 HIS A 95 -4.117 15.931 9.076 1.00 0.00 C ATOM 1481 NE2 HIS A 95 -3.903 14.955 9.939 1.00 0.00 N ATOM 0 H HIS A 95 -5.006 11.838 4.827 1.00 0.00 H new ATOM 0 HA HIS A 95 -2.908 12.549 6.593 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -5.173 13.710 6.057 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -5.873 12.598 7.217 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -4.081 12.775 9.778 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -3.994 16.986 9.271 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -3.593 15.075 10.903 1.00 0.00 H new ATOM 1490 N ALA A 96 -4.682 9.918 7.364 1.00 0.00 N ATOM 1491 CA ALA A 96 -4.775 8.781 8.271 1.00 0.00 C ATOM 1492 C ALA A 96 -5.177 7.516 7.520 1.00 0.00 C ATOM 1493 O ALA A 96 -6.264 7.441 6.950 1.00 0.00 O ATOM 1494 CB ALA A 96 -5.767 9.074 9.386 1.00 0.00 C ATOM 0 H ALA A 96 -5.270 9.844 6.534 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.792 8.616 8.711 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.826 8.216 10.055 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.437 9.949 9.946 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.750 9.267 8.957 1.00 0.00 H new ATOM 1500 N PHE A 97 -4.291 6.525 7.525 1.00 0.00 N ATOM 1501 CA PHE A 97 -4.554 5.264 6.842 1.00 0.00 C ATOM 1502 C PHE A 97 -4.401 4.084 7.796 1.00 0.00 C ATOM 1503 O PHE A 97 -3.501 4.063 8.635 1.00 0.00 O ATOM 1504 CB PHE A 97 -3.606 5.097 5.653 1.00 0.00 C ATOM 1505 CG PHE A 97 -3.979 3.962 4.741 1.00 0.00 C ATOM 1506 CD1 PHE A 97 -3.746 2.649 5.118 1.00 0.00 C ATOM 1507 CD2 PHE A 97 -4.561 4.209 3.509 1.00 0.00 C ATOM 1508 CE1 PHE A 97 -4.087 1.604 4.282 1.00 0.00 C ATOM 1509 CE2 PHE A 97 -4.905 3.166 2.668 1.00 0.00 C ATOM 1510 CZ PHE A 97 -4.668 1.862 3.056 1.00 0.00 C ATOM 0 H PHE A 97 -3.386 6.571 7.994 1.00 0.00 H new ATOM 0 HA PHE A 97 -5.582 5.285 6.480 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -3.590 6.023 5.079 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -2.594 4.935 6.025 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -3.293 2.441 6.076 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -4.748 5.227 3.201 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -3.899 0.585 4.587 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -5.358 3.371 1.709 1.00 0.00 H new ATOM 0 HZ PHE A 97 -4.936 1.046 2.402 1.00 0.00 H new ATOM 1520 N GLU A 98 -5.287 3.103 7.661 1.00 0.00 N ATOM 1521 CA GLU A 98 -5.252 1.917 8.510 1.00 0.00 C ATOM 1522 C GLU A 98 -5.247 0.647 7.665 1.00 0.00 C ATOM 1523 O GLU A 98 -6.120 0.447 6.820 1.00 0.00 O ATOM 1524 CB GLU A 98 -6.451 1.908 9.459 1.00 0.00 C ATOM 1525 CG GLU A 98 -6.182 1.193 10.772 1.00 0.00 C ATOM 1526 CD GLU A 98 -5.496 2.083 11.791 1.00 0.00 C ATOM 1527 OE1 GLU A 98 -4.268 2.281 11.675 1.00 0.00 O ATOM 1528 OE2 GLU A 98 -6.187 2.580 12.705 1.00 0.00 O ATOM 0 H GLU A 98 -6.039 3.105 6.971 1.00 0.00 H new ATOM 0 HA GLU A 98 -4.334 1.946 9.097 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.746 2.936 9.669 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.294 1.430 8.961 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -7.124 0.833 11.185 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -5.561 0.317 10.584 1.00 0.00 H new ATOM 1535 N GLN A 99 -4.258 -0.211 7.899 1.00 0.00 N ATOM 1536 CA GLN A 99 -4.140 -1.462 7.159 1.00 0.00 C ATOM 1537 C GLN A 99 -4.256 -2.662 8.093 1.00 0.00 C ATOM 1538 O GLN A 99 -3.469 -2.813 9.027 1.00 0.00 O ATOM 1539 CB GLN A 99 -2.807 -1.511 6.411 1.00 0.00 C ATOM 1540 CG GLN A 99 -1.620 -1.071 7.253 1.00 0.00 C ATOM 1541 CD GLN A 99 -0.332 -1.003 6.456 1.00 0.00 C ATOM 1542 OE1 GLN A 99 0.058 -1.970 5.801 1.00 0.00 O ATOM 1543 NE2 GLN A 99 0.336 0.143 6.506 1.00 0.00 N ATOM 0 H GLN A 99 -3.527 -0.062 8.595 1.00 0.00 H new ATOM 0 HA GLN A 99 -4.957 -1.507 6.438 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -2.635 -2.528 6.059 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -2.872 -0.875 5.528 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -1.828 -0.092 7.684 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -1.492 -1.764 8.084 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -0.024 0.919 7.062 1.00 0.00 H new ATOM 0 HE22 GLN A 99 1.209 0.247 5.989 1.00 0.00 H new ATOM 1552 N LYS A 100 -5.243 -3.513 7.832 1.00 0.00 N ATOM 1553 CA LYS A 100 -5.463 -4.702 8.649 1.00 0.00 C ATOM 1554 C LYS A 100 -5.584 -5.946 7.774 1.00 0.00 C ATOM 1555 O LYS A 100 -6.469 -6.034 6.923 1.00 0.00 O ATOM 1556 CB LYS A 100 -6.724 -4.537 9.499 1.00 0.00 C ATOM 1557 CG LYS A 100 -6.631 -5.205 10.861 1.00 0.00 C ATOM 1558 CD LYS A 100 -7.268 -6.586 10.848 1.00 0.00 C ATOM 1559 CE LYS A 100 -7.469 -7.120 12.257 1.00 0.00 C ATOM 1560 NZ LYS A 100 -6.339 -7.988 12.689 1.00 0.00 N ATOM 0 H LYS A 100 -5.903 -3.402 7.062 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.604 -4.824 9.308 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -6.922 -3.474 9.638 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -7.574 -4.952 8.957 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -5.585 -5.288 11.156 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -7.124 -4.582 11.607 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -8.228 -6.540 10.335 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -6.638 -7.273 10.284 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -7.571 -6.285 12.950 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -8.399 -7.686 12.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -6.677 -8.964 12.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -5.590 -7.968 11.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -5.959 -7.639 13.592 1.00 0.00 H new ATOM 1574 N THR A 101 -4.687 -6.904 7.989 1.00 0.00 N ATOM 1575 CA THR A 101 -4.693 -8.142 7.219 1.00 0.00 C ATOM 1576 C THR A 101 -4.798 -9.355 8.137 1.00 0.00 C ATOM 1577 O THR A 101 -4.205 -9.383 9.216 1.00 0.00 O ATOM 1578 CB THR A 101 -3.427 -8.242 6.368 1.00 0.00 C ATOM 1579 OG1 THR A 101 -2.298 -8.518 7.178 1.00 0.00 O ATOM 1580 CG2 THR A 101 -3.131 -6.983 5.583 1.00 0.00 C ATOM 0 H THR A 101 -3.948 -6.846 8.689 1.00 0.00 H new ATOM 0 HA THR A 101 -5.564 -8.129 6.564 1.00 0.00 H new ATOM 0 HB THR A 101 -3.617 -9.053 5.665 1.00 0.00 H new ATOM 0 HG1 THR A 101 -1.531 -7.998 6.859 1.00 0.00 H new ATOM 0 HG21 THR A 101 -2.220 -7.123 5.001 1.00 0.00 H new ATOM 0 HG22 THR A 101 -3.962 -6.770 4.910 1.00 0.00 H new ATOM 0 HG23 THR A 101 -2.998 -6.148 6.271 1.00 0.00 H new ATOM 1588 N LEU A 102 -5.556 -10.357 7.703 1.00 0.00 N ATOM 1589 CA LEU A 102 -5.738 -11.573 8.486 1.00 0.00 C ATOM 1590 C LEU A 102 -5.969 -12.776 7.577 1.00 0.00 C ATOM 1591 O LEU A 102 -6.140 -12.629 6.366 1.00 0.00 O ATOM 1592 CB LEU A 102 -6.913 -11.410 9.455 1.00 0.00 C ATOM 1593 CG LEU A 102 -6.530 -11.376 10.935 1.00 0.00 C ATOM 1594 CD1 LEU A 102 -7.768 -11.210 11.802 1.00 0.00 C ATOM 1595 CD2 LEU A 102 -5.775 -12.640 11.319 1.00 0.00 C ATOM 0 H LEU A 102 -6.054 -10.350 6.813 1.00 0.00 H new ATOM 0 HA LEU A 102 -4.828 -11.747 9.060 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -7.441 -10.488 9.211 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -7.613 -12.230 9.295 1.00 0.00 H new ATOM 0 HG LEU A 102 -5.876 -10.520 11.102 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -7.477 -11.188 12.852 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -8.270 -10.277 11.545 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -8.446 -12.046 11.631 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -5.510 -12.599 12.376 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -6.406 -13.510 11.137 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -4.867 -12.718 10.720 1.00 0.00 H new ATOM 1607 N THR A 103 -5.974 -13.967 8.168 1.00 0.00 N ATOM 1608 CA THR A 103 -6.184 -15.197 7.412 1.00 0.00 C ATOM 1609 C THR A 103 -7.666 -15.562 7.367 1.00 0.00 C ATOM 1610 O THR A 103 -8.420 -15.240 8.283 1.00 0.00 O ATOM 1611 CB THR A 103 -5.382 -16.343 8.030 1.00 0.00 C ATOM 1612 OG1 THR A 103 -5.567 -16.384 9.434 1.00 0.00 O ATOM 1613 CG2 THR A 103 -3.896 -16.245 7.766 1.00 0.00 C ATOM 0 H THR A 103 -5.835 -14.106 9.169 1.00 0.00 H new ATOM 0 HA THR A 103 -5.839 -15.031 6.392 1.00 0.00 H new ATOM 0 HB THR A 103 -5.760 -17.248 7.555 1.00 0.00 H new ATOM 0 HG1 THR A 103 -5.086 -17.153 9.805 1.00 0.00 H new ATOM 0 HG21 THR A 103 -3.387 -17.089 8.232 1.00 0.00 H new ATOM 0 HG22 THR A 103 -3.716 -16.261 6.691 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.513 -15.314 8.184 1.00 0.00 H new ATOM 1621 N PRO A 104 -8.102 -16.242 6.292 1.00 0.00 N ATOM 1622 CA PRO A 104 -9.502 -16.651 6.131 1.00 0.00 C ATOM 1623 C PRO A 104 -10.013 -17.445 7.327 1.00 0.00 C ATOM 1624 O PRO A 104 -11.113 -17.199 7.824 1.00 0.00 O ATOM 1625 CB PRO A 104 -9.477 -17.530 4.877 1.00 0.00 C ATOM 1626 CG PRO A 104 -8.278 -17.079 4.119 1.00 0.00 C ATOM 1627 CD PRO A 104 -7.267 -16.665 5.152 1.00 0.00 C ATOM 0 HA PRO A 104 -10.170 -15.793 6.051 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -9.407 -18.586 5.136 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -10.386 -17.406 4.289 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -7.889 -17.881 3.491 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -8.524 -16.248 3.458 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -6.606 -17.489 5.421 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -6.634 -15.853 4.793 1.00 0.00 H new ATOM 1635 N GLU A 105 -9.210 -18.400 7.785 1.00 0.00 N ATOM 1636 CA GLU A 105 -9.582 -19.232 8.923 1.00 0.00 C ATOM 1637 C GLU A 105 -9.861 -18.379 10.157 1.00 0.00 C ATOM 1638 O GLU A 105 -10.860 -18.577 10.847 1.00 0.00 O ATOM 1639 CB GLU A 105 -8.474 -20.243 9.227 1.00 0.00 C ATOM 1640 CG GLU A 105 -8.993 -21.601 9.672 1.00 0.00 C ATOM 1641 CD GLU A 105 -9.619 -22.385 8.536 1.00 0.00 C ATOM 1642 OE1 GLU A 105 -10.694 -21.973 8.051 1.00 0.00 O ATOM 1643 OE2 GLU A 105 -9.034 -23.412 8.130 1.00 0.00 O ATOM 0 H GLU A 105 -8.297 -18.617 7.385 1.00 0.00 H new ATOM 0 HA GLU A 105 -10.494 -19.769 8.663 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -7.858 -20.373 8.337 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -7.828 -19.838 10.006 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -8.172 -22.178 10.098 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -9.730 -21.463 10.463 1.00 0.00 H new ATOM 1650 N GLN A 106 -8.971 -17.430 10.427 1.00 0.00 N ATOM 1651 CA GLN A 106 -9.122 -16.547 11.577 1.00 0.00 C ATOM 1652 C GLN A 106 -10.421 -15.751 11.484 1.00 0.00 C ATOM 1653 O GLN A 106 -11.221 -15.740 12.420 1.00 0.00 O ATOM 1654 CB GLN A 106 -7.932 -15.590 11.672 1.00 0.00 C ATOM 1655 CG GLN A 106 -6.648 -16.262 12.132 1.00 0.00 C ATOM 1656 CD GLN A 106 -6.728 -16.753 13.565 1.00 0.00 C ATOM 1657 OE1 GLN A 106 -7.787 -16.710 14.190 1.00 0.00 O ATOM 1658 NE2 GLN A 106 -5.604 -17.223 14.092 1.00 0.00 N ATOM 0 H GLN A 106 -8.138 -17.253 9.865 1.00 0.00 H new ATOM 0 HA GLN A 106 -9.157 -17.164 12.475 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -7.764 -15.133 10.697 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -8.179 -14.784 12.363 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -6.427 -17.103 11.475 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -5.820 -15.559 12.038 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -4.748 -17.240 13.537 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -5.596 -17.567 15.052 1.00 0.00 H new ATOM 1667 N TRP A 107 -10.623 -15.088 10.351 1.00 0.00 N ATOM 1668 CA TRP A 107 -11.825 -14.290 10.137 1.00 0.00 C ATOM 1669 C TRP A 107 -13.077 -15.159 10.207 1.00 0.00 C ATOM 1670 O TRP A 107 -14.052 -14.808 10.872 1.00 0.00 O ATOM 1671 CB TRP A 107 -11.757 -13.579 8.786 1.00 0.00 C ATOM 1672 CG TRP A 107 -12.258 -12.171 8.840 1.00 0.00 C ATOM 1673 CD1 TRP A 107 -13.523 -11.741 8.570 1.00 0.00 C ATOM 1674 CD2 TRP A 107 -11.504 -11.005 9.191 1.00 0.00 C ATOM 1675 NE1 TRP A 107 -13.603 -10.379 8.726 1.00 0.00 N ATOM 1676 CE2 TRP A 107 -12.376 -9.903 9.107 1.00 0.00 C ATOM 1677 CE3 TRP A 107 -10.176 -10.788 9.566 1.00 0.00 C ATOM 1678 CZ2 TRP A 107 -11.961 -8.603 9.386 1.00 0.00 C ATOM 1679 CZ3 TRP A 107 -9.765 -9.498 9.843 1.00 0.00 C ATOM 1680 CH2 TRP A 107 -10.655 -8.419 9.752 1.00 0.00 C ATOM 0 H TRP A 107 -9.971 -15.087 9.567 1.00 0.00 H new ATOM 0 HA TRP A 107 -11.880 -13.543 10.929 1.00 0.00 H new ATOM 0 HB2 TRP A 107 -10.726 -13.578 8.434 1.00 0.00 H new ATOM 0 HB3 TRP A 107 -12.342 -14.139 8.057 1.00 0.00 H new ATOM 0 HD1 TRP A 107 -14.343 -12.379 8.276 1.00 0.00 H new ATOM 0 HE1 TRP A 107 -14.440 -9.814 8.582 1.00 0.00 H new ATOM 0 HE3 TRP A 107 -9.483 -11.613 9.638 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 -12.645 -7.770 9.316 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 -8.741 -9.318 10.135 1.00 0.00 H new ATOM 0 HH2 TRP A 107 -10.303 -7.423 9.975 1.00 0.00 H new ATOM 1691 N THR A 108 -13.043 -16.294 9.518 1.00 0.00 N ATOM 1692 CA THR A 108 -14.174 -17.213 9.503 1.00 0.00 C ATOM 1693 C THR A 108 -14.430 -17.787 10.894 1.00 0.00 C ATOM 1694 O THR A 108 -15.578 -17.966 11.300 1.00 0.00 O ATOM 1695 CB THR A 108 -13.920 -18.348 8.509 1.00 0.00 C ATOM 1696 OG1 THR A 108 -13.453 -17.836 7.273 1.00 0.00 O ATOM 1697 CG2 THR A 108 -15.151 -19.179 8.225 1.00 0.00 C ATOM 0 H THR A 108 -12.244 -16.600 8.962 1.00 0.00 H new ATOM 0 HA THR A 108 -15.058 -16.656 9.192 1.00 0.00 H new ATOM 0 HB THR A 108 -13.172 -18.985 8.981 1.00 0.00 H new ATOM 0 HG1 THR A 108 -12.474 -17.874 7.252 1.00 0.00 H new ATOM 0 HG21 THR A 108 -14.902 -19.966 7.513 1.00 0.00 H new ATOM 0 HG22 THR A 108 -15.509 -19.628 9.152 1.00 0.00 H new ATOM 0 HG23 THR A 108 -15.930 -18.543 7.805 1.00 0.00 H new