USER MOD reduce.3.24.130724 H: found=0, std=0, add=626, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 627 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 60 GLN : amide:sc= -0.174 K(o=-0.047,f=-4.4!) USER MOD Set 1.2: A 67 LYS NZ :NH3+ 157:sc= 0.127 (180deg=-0.013) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -0.0307 X(o=-0.031,f=-0.21) USER MOD Single : A 71 GLN : amide:sc= -0.945 X(o=-0.94,f=-0.61) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 HIS : no HD1:sc= -0.731 X(o=-0.73,f=-1.1) USER MOD Single : A 82 MET CE :methyl -175:sc= -1.99 (180deg=-2.03!) USER MOD Single : A 86 ASN : amide:sc= -0.297 K(o=-0.3,f=-2.9!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ -171:sc=-0.00255 (180deg=-0.0785) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 CYS SG : rot -30:sc= 0.319 USER MOD Single : A 100 MET CE :methyl -123:sc= -0.128 (180deg=-0.607) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 106 CYS SG : rot 76:sc= -2.16! USER MOD Single : A 110 LYS NZ :NH3+ -166:sc= -1.03 (180deg=-1.56) USER MOD Single : A 112 CYS SG : rot 112:sc= 0.0318 USER MOD Single : A 128 HIS : no HD1:sc= -0.189 X(o=-0.19,f=-0.047) USER MOD Single : A 133 GLN : amide:sc= -1.34 K(o=-1.3,f=-0.83) USER MOD ----------------------------------------------------------------- ATOM 413 N GLY A 55 6.776 -7.541 6.869 1.00 0.00 N ATOM 414 CA GLY A 55 7.049 -7.974 5.508 1.00 0.00 C ATOM 415 C GLY A 55 7.487 -6.828 4.606 1.00 0.00 C ATOM 416 O GLY A 55 8.074 -7.061 3.548 1.00 0.00 O ATOM 0 HA2 GLY A 55 7.827 -8.738 5.523 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.155 -8.438 5.092 1.00 0.00 H new ATOM 420 N PHE A 56 7.209 -5.591 5.029 1.00 0.00 N ATOM 421 CA PHE A 56 7.576 -4.413 4.249 1.00 0.00 C ATOM 422 C PHE A 56 8.882 -3.803 4.756 1.00 0.00 C ATOM 423 O PHE A 56 9.783 -3.516 3.968 1.00 0.00 O ATOM 424 CB PHE A 56 6.459 -3.365 4.286 1.00 0.00 C ATOM 425 CG PHE A 56 6.725 -2.180 3.400 1.00 0.00 C ATOM 426 CD1 PHE A 56 7.082 -2.358 2.072 1.00 0.00 C ATOM 427 CD2 PHE A 56 6.623 -0.888 3.894 1.00 0.00 C ATOM 428 CE1 PHE A 56 7.334 -1.274 1.256 1.00 0.00 C ATOM 429 CE2 PHE A 56 6.873 0.200 3.081 1.00 0.00 C ATOM 430 CZ PHE A 56 7.228 0.006 1.760 1.00 0.00 C ATOM 0 H PHE A 56 6.732 -5.383 5.906 1.00 0.00 H new ATOM 0 HA PHE A 56 7.722 -4.733 3.217 1.00 0.00 H new ATOM 0 HB2 PHE A 56 5.522 -3.832 3.984 1.00 0.00 H new ATOM 0 HB3 PHE A 56 6.327 -3.021 5.312 1.00 0.00 H new ATOM 0 HD1 PHE A 56 7.164 -3.358 1.671 1.00 0.00 H new ATOM 0 HD2 PHE A 56 6.345 -0.731 4.926 1.00 0.00 H new ATOM 0 HE1 PHE A 56 7.614 -1.427 0.224 1.00 0.00 H new ATOM 0 HE2 PHE A 56 6.791 1.201 3.477 1.00 0.00 H new ATOM 0 HZ PHE A 56 7.422 0.856 1.122 1.00 0.00 H new ATOM 440 N THR A 57 8.976 -3.603 6.073 1.00 0.00 N ATOM 441 CA THR A 57 10.176 -3.027 6.683 1.00 0.00 C ATOM 442 C THR A 57 11.409 -3.886 6.396 1.00 0.00 C ATOM 443 O THR A 57 12.505 -3.354 6.206 1.00 0.00 O ATOM 444 CB THR A 57 10.014 -2.849 8.206 1.00 0.00 C ATOM 445 OG1 THR A 57 8.782 -2.175 8.493 1.00 0.00 O ATOM 446 CG2 THR A 57 11.175 -2.054 8.786 1.00 0.00 C ATOM 0 H THR A 57 8.236 -3.831 6.737 1.00 0.00 H new ATOM 0 HA THR A 57 10.315 -2.044 6.234 1.00 0.00 H new ATOM 0 HB THR A 57 10.005 -3.838 8.664 1.00 0.00 H new ATOM 0 HG1 THR A 57 8.686 -2.068 9.462 1.00 0.00 H new ATOM 0 HG21 THR A 57 11.038 -1.942 9.862 1.00 0.00 H new ATOM 0 HG22 THR A 57 12.109 -2.581 8.592 1.00 0.00 H new ATOM 0 HG23 THR A 57 11.210 -1.069 8.320 1.00 0.00 H new ATOM 454 N LYS A 58 11.231 -5.208 6.365 1.00 0.00 N ATOM 455 CA LYS A 58 12.336 -6.120 6.071 1.00 0.00 C ATOM 456 C LYS A 58 12.813 -5.928 4.633 1.00 0.00 C ATOM 457 O LYS A 58 13.997 -6.096 4.336 1.00 0.00 O ATOM 458 CB LYS A 58 11.914 -7.573 6.296 1.00 0.00 C ATOM 459 CG LYS A 58 11.811 -7.954 7.764 1.00 0.00 C ATOM 460 CD LYS A 58 11.270 -9.365 7.941 1.00 0.00 C ATOM 461 CE LYS A 58 12.261 -10.412 7.458 1.00 0.00 C ATOM 462 NZ LYS A 58 11.712 -11.793 7.563 1.00 0.00 N ATOM 0 H LYS A 58 10.337 -5.668 6.539 1.00 0.00 H new ATOM 0 HA LYS A 58 13.158 -5.891 6.749 1.00 0.00 H new ATOM 0 HB2 LYS A 58 10.950 -7.741 5.817 1.00 0.00 H new ATOM 0 HB3 LYS A 58 12.632 -8.231 5.807 1.00 0.00 H new ATOM 0 HG2 LYS A 58 12.794 -7.880 8.229 1.00 0.00 H new ATOM 0 HG3 LYS A 58 11.160 -7.247 8.279 1.00 0.00 H new ATOM 0 HD2 LYS A 58 11.042 -9.538 8.993 1.00 0.00 H new ATOM 0 HD3 LYS A 58 10.335 -9.468 7.391 1.00 0.00 H new ATOM 0 HE2 LYS A 58 12.529 -10.206 6.422 1.00 0.00 H new ATOM 0 HE3 LYS A 58 13.177 -10.341 8.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 12.420 -12.475 7.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 11.480 -12.000 8.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 10.852 -11.870 6.983 1.00 0.00 H new ATOM 476 N GLU A 59 11.880 -5.569 3.745 1.00 0.00 N ATOM 477 CA GLU A 59 12.202 -5.327 2.343 1.00 0.00 C ATOM 478 C GLU A 59 13.053 -4.065 2.211 1.00 0.00 C ATOM 479 O GLU A 59 13.964 -4.004 1.383 1.00 0.00 O ATOM 480 CB GLU A 59 10.919 -5.180 1.519 1.00 0.00 C ATOM 481 CG GLU A 59 11.170 -4.801 0.068 1.00 0.00 C ATOM 482 CD GLU A 59 9.893 -4.588 -0.724 1.00 0.00 C ATOM 483 OE1 GLU A 59 9.015 -3.833 -0.254 1.00 0.00 O ATOM 484 OE2 GLU A 59 9.782 -5.167 -1.823 1.00 0.00 O ATOM 0 H GLU A 59 10.895 -5.441 3.977 1.00 0.00 H new ATOM 0 HA GLU A 59 12.767 -6.179 1.964 1.00 0.00 H new ATOM 0 HB2 GLU A 59 10.367 -6.119 1.551 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.286 -4.422 1.980 1.00 0.00 H new ATOM 0 HG2 GLU A 59 11.766 -3.889 0.035 1.00 0.00 H new ATOM 0 HG3 GLU A 59 11.759 -5.584 -0.409 1.00 0.00 H new ATOM 491 N GLN A 60 12.742 -3.058 3.033 1.00 0.00 N ATOM 492 CA GLN A 60 13.480 -1.794 3.032 1.00 0.00 C ATOM 493 C GLN A 60 14.957 -2.016 3.355 1.00 0.00 C ATOM 494 O GLN A 60 15.807 -1.206 2.988 1.00 0.00 O ATOM 495 CB GLN A 60 12.877 -0.823 4.051 1.00 0.00 C ATOM 496 CG GLN A 60 11.374 -0.642 3.915 1.00 0.00 C ATOM 497 CD GLN A 60 10.839 0.486 4.778 1.00 0.00 C ATOM 498 OE1 GLN A 60 11.355 0.753 5.865 1.00 0.00 O ATOM 499 NE2 GLN A 60 9.802 1.162 4.295 1.00 0.00 N ATOM 0 H GLN A 60 11.980 -3.096 3.710 1.00 0.00 H new ATOM 0 HA GLN A 60 13.402 -1.367 2.032 1.00 0.00 H new ATOM 0 HB2 GLN A 60 13.100 -1.181 5.056 1.00 0.00 H new ATOM 0 HB3 GLN A 60 13.361 0.148 3.944 1.00 0.00 H new ATOM 0 HG2 GLN A 60 11.129 -0.443 2.872 1.00 0.00 H new ATOM 0 HG3 GLN A 60 10.874 -1.571 4.188 1.00 0.00 H new ATOM 0 HE21 GLN A 60 9.405 0.908 3.390 1.00 0.00 H new ATOM 0 HE22 GLN A 60 9.403 1.934 4.829 1.00 0.00 H new ATOM 508 N GLN A 61 15.253 -3.108 4.057 1.00 0.00 N ATOM 509 CA GLN A 61 16.629 -3.439 4.429 1.00 0.00 C ATOM 510 C GLN A 61 17.359 -4.181 3.304 1.00 0.00 C ATOM 511 O GLN A 61 18.590 -4.242 3.295 1.00 0.00 O ATOM 512 CB GLN A 61 16.638 -4.291 5.700 1.00 0.00 C ATOM 513 CG GLN A 61 15.855 -3.680 6.852 1.00 0.00 C ATOM 514 CD GLN A 61 15.624 -4.658 7.991 1.00 0.00 C ATOM 515 OE1 GLN A 61 16.454 -5.528 8.258 1.00 0.00 O ATOM 516 NE2 GLN A 61 14.485 -4.527 8.664 1.00 0.00 N ATOM 0 H GLN A 61 14.558 -3.780 4.381 1.00 0.00 H new ATOM 0 HA GLN A 61 17.156 -2.502 4.610 1.00 0.00 H new ATOM 0 HB2 GLN A 61 16.224 -5.273 5.471 1.00 0.00 H new ATOM 0 HB3 GLN A 61 17.670 -4.446 6.016 1.00 0.00 H new ATOM 0 HG2 GLN A 61 16.392 -2.810 7.230 1.00 0.00 H new ATOM 0 HG3 GLN A 61 14.893 -3.325 6.483 1.00 0.00 H new ATOM 0 HE21 GLN A 61 13.824 -3.792 8.410 1.00 0.00 H new ATOM 0 HE22 GLN A 61 14.272 -5.161 9.434 1.00 0.00 H new ATOM 525 N ARG A 62 16.601 -4.741 2.359 1.00 0.00 N ATOM 526 CA ARG A 62 17.181 -5.482 1.240 1.00 0.00 C ATOM 527 C ARG A 62 17.511 -4.556 0.070 1.00 0.00 C ATOM 528 O ARG A 62 18.570 -4.679 -0.548 1.00 0.00 O ATOM 529 CB ARG A 62 16.213 -6.571 0.770 1.00 0.00 C ATOM 530 CG ARG A 62 15.710 -7.475 1.884 1.00 0.00 C ATOM 531 CD ARG A 62 14.444 -8.208 1.473 1.00 0.00 C ATOM 532 NE ARG A 62 13.818 -8.897 2.602 1.00 0.00 N ATOM 533 CZ ARG A 62 12.499 -9.071 2.740 1.00 0.00 C ATOM 534 NH1 ARG A 62 11.651 -8.607 1.824 1.00 0.00 N ATOM 535 NH2 ARG A 62 12.025 -9.714 3.801 1.00 0.00 N ATOM 0 H ARG A 62 15.582 -4.694 2.348 1.00 0.00 H new ATOM 0 HA ARG A 62 18.107 -5.939 1.590 1.00 0.00 H new ATOM 0 HB2 ARG A 62 15.358 -6.099 0.286 1.00 0.00 H new ATOM 0 HB3 ARG A 62 16.709 -7.182 0.016 1.00 0.00 H new ATOM 0 HG2 ARG A 62 16.483 -8.198 2.145 1.00 0.00 H new ATOM 0 HG3 ARG A 62 15.515 -6.881 2.777 1.00 0.00 H new ATOM 0 HD2 ARG A 62 13.737 -7.498 1.045 1.00 0.00 H new ATOM 0 HD3 ARG A 62 14.681 -8.932 0.693 1.00 0.00 H new ATOM 0 HE ARG A 62 14.427 -9.269 3.331 1.00 0.00 H new ATOM 0 HH11 ARG A 62 12.005 -8.112 1.005 1.00 0.00 H new ATOM 0 HH12 ARG A 62 10.647 -8.746 1.941 1.00 0.00 H new ATOM 0 HH21 ARG A 62 12.666 -10.074 4.508 1.00 0.00 H new ATOM 0 HH22 ARG A 62 11.020 -9.848 3.909 1.00 0.00 H new ATOM 549 N LEU A 63 16.597 -3.631 -0.228 1.00 0.00 N ATOM 550 CA LEU A 63 16.770 -2.692 -1.337 1.00 0.00 C ATOM 551 C LEU A 63 17.094 -1.275 -0.858 1.00 0.00 C ATOM 552 O LEU A 63 17.714 -0.501 -1.590 1.00 0.00 O ATOM 553 CB LEU A 63 15.501 -2.659 -2.191 1.00 0.00 C ATOM 554 CG LEU A 63 15.036 -4.021 -2.714 1.00 0.00 C ATOM 555 CD1 LEU A 63 13.918 -4.574 -1.843 1.00 0.00 C ATOM 556 CD2 LEU A 63 14.588 -3.911 -4.162 1.00 0.00 C ATOM 0 H LEU A 63 15.725 -3.512 0.287 1.00 0.00 H new ATOM 0 HA LEU A 63 17.617 -3.044 -1.927 1.00 0.00 H new ATOM 0 HB2 LEU A 63 14.696 -2.219 -1.602 1.00 0.00 H new ATOM 0 HB3 LEU A 63 15.671 -1.999 -3.042 1.00 0.00 H new ATOM 0 HG LEU A 63 15.876 -4.714 -2.669 1.00 0.00 H new ATOM 0 HD11 LEU A 63 13.600 -5.542 -2.230 1.00 0.00 H new ATOM 0 HD12 LEU A 63 14.278 -4.692 -0.821 1.00 0.00 H new ATOM 0 HD13 LEU A 63 13.074 -3.885 -1.853 1.00 0.00 H new ATOM 0 HD21 LEU A 63 14.261 -4.888 -4.517 1.00 0.00 H new ATOM 0 HD22 LEU A 63 13.762 -3.204 -4.235 1.00 0.00 H new ATOM 0 HD23 LEU A 63 15.419 -3.562 -4.775 1.00 0.00 H new ATOM 568 N GLY A 64 16.680 -0.934 0.364 1.00 0.00 N ATOM 569 CA GLY A 64 16.931 0.399 0.890 1.00 0.00 C ATOM 570 C GLY A 64 15.731 1.328 0.745 1.00 0.00 C ATOM 571 O GLY A 64 15.853 2.535 0.956 1.00 0.00 O ATOM 0 H GLY A 64 16.177 -1.556 0.996 1.00 0.00 H new ATOM 0 HA2 GLY A 64 17.201 0.324 1.943 1.00 0.00 H new ATOM 0 HA3 GLY A 64 17.786 0.834 0.372 1.00 0.00 H new ATOM 575 N ILE A 65 14.573 0.762 0.376 1.00 0.00 N ATOM 576 CA ILE A 65 13.345 1.541 0.201 1.00 0.00 C ATOM 577 C ILE A 65 13.067 2.430 1.416 1.00 0.00 C ATOM 578 O ILE A 65 13.009 1.945 2.547 1.00 0.00 O ATOM 579 CB ILE A 65 12.119 0.628 -0.038 1.00 0.00 C ATOM 580 CG1 ILE A 65 12.324 -0.233 -1.287 1.00 0.00 C ATOM 581 CG2 ILE A 65 10.852 1.464 -0.170 1.00 0.00 C ATOM 582 CD1 ILE A 65 11.230 -1.256 -1.503 1.00 0.00 C ATOM 0 H ILE A 65 14.464 -0.236 0.193 1.00 0.00 H new ATOM 0 HA ILE A 65 13.502 2.167 -0.677 1.00 0.00 H new ATOM 0 HB ILE A 65 12.010 -0.034 0.821 1.00 0.00 H new ATOM 0 HG12 ILE A 65 12.380 0.416 -2.161 1.00 0.00 H new ATOM 0 HG13 ILE A 65 13.282 -0.748 -1.210 1.00 0.00 H new ATOM 0 HG21 ILE A 65 9.999 0.807 -0.338 1.00 0.00 H new ATOM 0 HG22 ILE A 65 10.696 2.035 0.745 1.00 0.00 H new ATOM 0 HG23 ILE A 65 10.954 2.149 -1.012 1.00 0.00 H new ATOM 0 HD11 ILE A 65 11.441 -1.829 -2.406 1.00 0.00 H new ATOM 0 HD12 ILE A 65 11.187 -1.929 -0.647 1.00 0.00 H new ATOM 0 HD13 ILE A 65 10.272 -0.747 -1.612 1.00 0.00 H new ATOM 594 N PRO A 66 12.899 3.749 1.189 1.00 0.00 N ATOM 595 CA PRO A 66 12.617 4.714 2.262 1.00 0.00 C ATOM 596 C PRO A 66 11.301 4.417 2.980 1.00 0.00 C ATOM 597 O PRO A 66 10.511 3.584 2.532 1.00 0.00 O ATOM 598 CB PRO A 66 12.529 6.062 1.534 1.00 0.00 C ATOM 599 CG PRO A 66 13.196 5.846 0.220 1.00 0.00 C ATOM 600 CD PRO A 66 12.977 4.403 -0.128 1.00 0.00 C ATOM 0 HA PRO A 66 13.383 4.685 3.036 1.00 0.00 H new ATOM 0 HB2 PRO A 66 11.492 6.370 1.402 1.00 0.00 H new ATOM 0 HB3 PRO A 66 13.026 6.849 2.102 1.00 0.00 H new ATOM 0 HG2 PRO A 66 12.773 6.499 -0.543 1.00 0.00 H new ATOM 0 HG3 PRO A 66 14.260 6.075 0.281 1.00 0.00 H new ATOM 0 HD2 PRO A 66 12.062 4.262 -0.703 1.00 0.00 H new ATOM 0 HD3 PRO A 66 13.795 4.005 -0.728 1.00 0.00 H new ATOM 608 N LYS A 67 11.068 5.113 4.091 1.00 0.00 N ATOM 609 CA LYS A 67 9.847 4.924 4.873 1.00 0.00 C ATOM 610 C LYS A 67 8.808 6.003 4.548 1.00 0.00 C ATOM 611 O LYS A 67 8.117 6.496 5.441 1.00 0.00 O ATOM 612 CB LYS A 67 10.175 4.936 6.370 1.00 0.00 C ATOM 613 CG LYS A 67 10.986 3.733 6.827 1.00 0.00 C ATOM 614 CD LYS A 67 11.402 3.858 8.284 1.00 0.00 C ATOM 615 CE LYS A 67 11.942 2.543 8.828 1.00 0.00 C ATOM 616 NZ LYS A 67 13.158 2.089 8.095 1.00 0.00 N ATOM 0 H LYS A 67 11.707 5.812 4.470 1.00 0.00 H new ATOM 0 HA LYS A 67 9.420 3.957 4.608 1.00 0.00 H new ATOM 0 HB2 LYS A 67 10.727 5.846 6.605 1.00 0.00 H new ATOM 0 HB3 LYS A 67 9.245 4.973 6.937 1.00 0.00 H new ATOM 0 HG2 LYS A 67 10.398 2.825 6.693 1.00 0.00 H new ATOM 0 HG3 LYS A 67 11.873 3.633 6.202 1.00 0.00 H new ATOM 0 HD2 LYS A 67 12.163 4.632 8.380 1.00 0.00 H new ATOM 0 HD3 LYS A 67 10.547 4.176 8.881 1.00 0.00 H new ATOM 0 HE2 LYS A 67 12.179 2.659 9.886 1.00 0.00 H new ATOM 0 HE3 LYS A 67 11.169 1.777 8.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 13.708 1.446 8.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 12.874 1.590 7.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 13.741 2.913 7.846 1.00 0.00 H new ATOM 630 N ASP A 68 8.693 6.360 3.265 1.00 0.00 N ATOM 631 CA ASP A 68 7.734 7.378 2.838 1.00 0.00 C ATOM 632 C ASP A 68 7.668 7.480 1.312 1.00 0.00 C ATOM 633 O ASP A 68 8.689 7.657 0.648 1.00 0.00 O ATOM 634 CB ASP A 68 8.101 8.740 3.433 1.00 0.00 C ATOM 635 CG ASP A 68 6.980 9.747 3.299 1.00 0.00 C ATOM 636 OD1 ASP A 68 6.871 10.367 2.225 1.00 0.00 O ATOM 637 OD2 ASP A 68 6.211 9.915 4.267 1.00 0.00 O ATOM 0 H ASP A 68 9.250 5.960 2.509 1.00 0.00 H new ATOM 0 HA ASP A 68 6.751 7.078 3.202 1.00 0.00 H new ATOM 0 HB2 ASP A 68 8.352 8.618 4.487 1.00 0.00 H new ATOM 0 HB3 ASP A 68 8.992 9.123 2.935 1.00 0.00 H new ATOM 642 N PRO A 69 6.449 7.370 0.745 1.00 0.00 N ATOM 643 CA PRO A 69 6.220 7.454 -0.707 1.00 0.00 C ATOM 644 C PRO A 69 6.655 8.792 -1.304 1.00 0.00 C ATOM 645 O PRO A 69 7.216 8.825 -2.395 1.00 0.00 O ATOM 646 CB PRO A 69 4.704 7.270 -0.850 1.00 0.00 C ATOM 647 CG PRO A 69 4.148 7.582 0.493 1.00 0.00 C ATOM 648 CD PRO A 69 5.191 7.148 1.476 1.00 0.00 C ATOM 0 HA PRO A 69 6.806 6.708 -1.244 1.00 0.00 H new ATOM 0 HB2 PRO A 69 4.296 7.936 -1.610 1.00 0.00 H new ATOM 0 HB3 PRO A 69 4.457 6.252 -1.152 1.00 0.00 H new ATOM 0 HG2 PRO A 69 3.937 8.647 0.591 1.00 0.00 H new ATOM 0 HG3 PRO A 69 3.209 7.054 0.660 1.00 0.00 H new ATOM 0 HD2 PRO A 69 5.149 7.734 2.394 1.00 0.00 H new ATOM 0 HD3 PRO A 69 5.068 6.103 1.759 1.00 0.00 H new ATOM 656 N ARG A 70 6.384 9.895 -0.602 1.00 0.00 N ATOM 657 CA ARG A 70 6.775 11.223 -1.089 1.00 0.00 C ATOM 658 C ARG A 70 8.266 11.266 -1.439 1.00 0.00 C ATOM 659 O ARG A 70 8.661 11.926 -2.402 1.00 0.00 O ATOM 660 CB ARG A 70 6.448 12.301 -0.050 1.00 0.00 C ATOM 661 CG ARG A 70 4.982 12.337 0.355 1.00 0.00 C ATOM 662 CD ARG A 70 4.811 12.761 1.805 1.00 0.00 C ATOM 663 NE ARG A 70 3.403 12.895 2.178 1.00 0.00 N ATOM 664 CZ ARG A 70 2.981 13.343 3.362 1.00 0.00 C ATOM 665 NH1 ARG A 70 3.855 13.707 4.298 1.00 0.00 N ATOM 666 NH2 ARG A 70 1.679 13.426 3.613 1.00 0.00 N ATOM 0 H ARG A 70 5.901 9.898 0.296 1.00 0.00 H new ATOM 0 HA ARG A 70 6.203 11.424 -1.995 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.057 12.133 0.838 1.00 0.00 H new ATOM 0 HB3 ARG A 70 6.729 13.275 -0.450 1.00 0.00 H new ATOM 0 HG2 ARG A 70 4.442 13.028 -0.293 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.540 11.352 0.209 1.00 0.00 H new ATOM 0 HD2 ARG A 70 5.289 12.028 2.455 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.320 13.711 1.967 1.00 0.00 H new ATOM 0 HE ARG A 70 2.699 12.629 1.489 1.00 0.00 H new ATOM 0 HH11 ARG A 70 4.856 13.645 4.113 1.00 0.00 H new ATOM 0 HH12 ARG A 70 3.523 14.048 5.200 1.00 0.00 H new ATOM 0 HH21 ARG A 70 1.004 13.147 2.901 1.00 0.00 H new ATOM 0 HH22 ARG A 70 1.355 13.768 4.518 1.00 0.00 H new ATOM 680 N GLN A 71 9.089 10.557 -0.658 1.00 0.00 N ATOM 681 CA GLN A 71 10.532 10.509 -0.902 1.00 0.00 C ATOM 682 C GLN A 71 10.931 9.228 -1.652 1.00 0.00 C ATOM 683 O GLN A 71 11.997 8.657 -1.409 1.00 0.00 O ATOM 684 CB GLN A 71 11.304 10.621 0.421 1.00 0.00 C ATOM 685 CG GLN A 71 11.159 9.408 1.332 1.00 0.00 C ATOM 686 CD GLN A 71 11.862 9.584 2.668 1.00 0.00 C ATOM 687 OE1 GLN A 71 12.835 10.331 2.780 1.00 0.00 O ATOM 688 NE2 GLN A 71 11.379 8.884 3.689 1.00 0.00 N ATOM 0 H GLN A 71 8.780 10.011 0.146 1.00 0.00 H new ATOM 0 HA GLN A 71 10.793 11.359 -1.533 1.00 0.00 H new ATOM 0 HB2 GLN A 71 12.361 10.772 0.201 1.00 0.00 H new ATOM 0 HB3 GLN A 71 10.960 11.506 0.956 1.00 0.00 H new ATOM 0 HG2 GLN A 71 10.100 9.216 1.507 1.00 0.00 H new ATOM 0 HG3 GLN A 71 11.563 8.531 0.827 1.00 0.00 H new ATOM 0 HE21 GLN A 71 10.571 8.276 3.554 1.00 0.00 H new ATOM 0 HE22 GLN A 71 11.816 8.954 4.608 1.00 0.00 H new ATOM 697 N TRP A 72 10.071 8.792 -2.578 1.00 0.00 N ATOM 698 CA TRP A 72 10.326 7.593 -3.378 1.00 0.00 C ATOM 699 C TRP A 72 10.538 7.960 -4.844 1.00 0.00 C ATOM 700 O TRP A 72 10.387 9.121 -5.231 1.00 0.00 O ATOM 701 CB TRP A 72 9.140 6.630 -3.289 1.00 0.00 C ATOM 702 CG TRP A 72 9.165 5.706 -2.112 1.00 0.00 C ATOM 703 CD1 TRP A 72 10.021 5.730 -1.051 1.00 0.00 C ATOM 704 CD2 TRP A 72 8.278 4.609 -1.890 1.00 0.00 C ATOM 705 NE1 TRP A 72 9.718 4.710 -0.180 1.00 0.00 N ATOM 706 CE2 TRP A 72 8.651 4.008 -0.676 1.00 0.00 C ATOM 707 CE3 TRP A 72 7.201 4.078 -2.604 1.00 0.00 C ATOM 708 CZ2 TRP A 72 7.985 2.902 -0.160 1.00 0.00 C ATOM 709 CZ3 TRP A 72 6.541 2.980 -2.092 1.00 0.00 C ATOM 710 CH2 TRP A 72 6.935 2.403 -0.880 1.00 0.00 C ATOM 0 H TRP A 72 9.188 9.256 -2.792 1.00 0.00 H new ATOM 0 HA TRP A 72 11.223 7.116 -2.984 1.00 0.00 H new ATOM 0 HB2 TRP A 72 8.219 7.213 -3.255 1.00 0.00 H new ATOM 0 HB3 TRP A 72 9.106 6.033 -4.200 1.00 0.00 H new ATOM 0 HD1 TRP A 72 10.819 6.445 -0.915 1.00 0.00 H new ATOM 0 HE1 TRP A 72 10.207 4.509 0.692 1.00 0.00 H new ATOM 0 HE3 TRP A 72 6.891 4.519 -3.540 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 8.286 2.453 0.775 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 5.708 2.560 -2.635 1.00 0.00 H new ATOM 0 HH2 TRP A 72 6.398 1.544 -0.505 1.00 0.00 H new ATOM 721 N THR A 73 10.885 6.963 -5.660 1.00 0.00 N ATOM 722 CA THR A 73 11.072 7.178 -7.090 1.00 0.00 C ATOM 723 C THR A 73 10.384 6.062 -7.879 1.00 0.00 C ATOM 724 O THR A 73 9.714 5.211 -7.292 1.00 0.00 O ATOM 725 CB THR A 73 12.565 7.246 -7.476 1.00 0.00 C ATOM 726 OG1 THR A 73 13.178 5.961 -7.304 1.00 0.00 O ATOM 727 CG2 THR A 73 13.299 8.272 -6.628 1.00 0.00 C ATOM 0 H THR A 73 11.041 6.003 -5.353 1.00 0.00 H new ATOM 0 HA THR A 73 10.622 8.139 -7.338 1.00 0.00 H new ATOM 0 HB THR A 73 12.629 7.545 -8.522 1.00 0.00 H new ATOM 0 HG1 THR A 73 14.124 6.014 -7.553 1.00 0.00 H new ATOM 0 HG21 THR A 73 14.349 8.301 -6.919 1.00 0.00 H new ATOM 0 HG22 THR A 73 12.853 9.255 -6.780 1.00 0.00 H new ATOM 0 HG23 THR A 73 13.222 7.997 -5.576 1.00 0.00 H new ATOM 735 N GLU A 74 10.544 6.065 -9.202 1.00 0.00 N ATOM 736 CA GLU A 74 9.923 5.044 -10.049 1.00 0.00 C ATOM 737 C GLU A 74 10.256 3.634 -9.559 1.00 0.00 C ATOM 738 O GLU A 74 9.406 2.741 -9.602 1.00 0.00 O ATOM 739 CB GLU A 74 10.368 5.206 -11.506 1.00 0.00 C ATOM 740 CG GLU A 74 10.026 6.563 -12.102 1.00 0.00 C ATOM 741 CD GLU A 74 10.329 6.646 -13.584 1.00 0.00 C ATOM 742 OE1 GLU A 74 11.488 6.951 -13.938 1.00 0.00 O ATOM 743 OE2 GLU A 74 9.408 6.407 -14.393 1.00 0.00 O ATOM 0 H GLU A 74 11.095 6.758 -9.709 1.00 0.00 H new ATOM 0 HA GLU A 74 8.843 5.182 -9.988 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.446 5.053 -11.567 1.00 0.00 H new ATOM 0 HB3 GLU A 74 9.901 4.426 -12.108 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.968 6.770 -11.940 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.586 7.337 -11.577 1.00 0.00 H new ATOM 750 N THR A 75 11.490 3.440 -9.092 1.00 0.00 N ATOM 751 CA THR A 75 11.926 2.136 -8.601 1.00 0.00 C ATOM 752 C THR A 75 11.218 1.758 -7.298 1.00 0.00 C ATOM 753 O THR A 75 10.639 0.679 -7.197 1.00 0.00 O ATOM 754 CB THR A 75 13.450 2.097 -8.377 1.00 0.00 C ATOM 755 OG1 THR A 75 14.131 2.571 -9.548 1.00 0.00 O ATOM 756 CG2 THR A 75 13.913 0.683 -8.058 1.00 0.00 C ATOM 0 H THR A 75 12.202 4.168 -9.044 1.00 0.00 H new ATOM 0 HA THR A 75 11.660 1.412 -9.371 1.00 0.00 H new ATOM 0 HB THR A 75 13.687 2.743 -7.531 1.00 0.00 H new ATOM 0 HG1 THR A 75 15.099 2.545 -9.397 1.00 0.00 H new ATOM 0 HG21 THR A 75 14.992 0.680 -7.904 1.00 0.00 H new ATOM 0 HG22 THR A 75 13.416 0.333 -7.153 1.00 0.00 H new ATOM 0 HG23 THR A 75 13.663 0.022 -8.888 1.00 0.00 H new ATOM 764 N HIS A 76 11.268 2.652 -6.306 1.00 0.00 N ATOM 765 CA HIS A 76 10.631 2.398 -5.008 1.00 0.00 C ATOM 766 C HIS A 76 9.123 2.197 -5.163 1.00 0.00 C ATOM 767 O HIS A 76 8.539 1.312 -4.535 1.00 0.00 O ATOM 768 CB HIS A 76 10.903 3.546 -4.030 1.00 0.00 C ATOM 769 CG HIS A 76 12.353 3.732 -3.705 1.00 0.00 C ATOM 770 ND1 HIS A 76 12.971 4.966 -3.692 1.00 0.00 N ATOM 771 CD2 HIS A 76 13.310 2.832 -3.375 1.00 0.00 C ATOM 772 CE1 HIS A 76 14.243 4.816 -3.370 1.00 0.00 C ATOM 773 NE2 HIS A 76 14.473 3.532 -3.173 1.00 0.00 N ATOM 0 H HIS A 76 11.740 3.554 -6.375 1.00 0.00 H new ATOM 0 HA HIS A 76 11.065 1.483 -4.606 1.00 0.00 H new ATOM 0 HB2 HIS A 76 10.513 4.472 -4.454 1.00 0.00 H new ATOM 0 HB3 HIS A 76 10.354 3.362 -3.107 1.00 0.00 H new ATOM 0 HD2 HIS A 76 13.182 1.763 -3.287 1.00 0.00 H new ATOM 0 HE1 HIS A 76 14.971 5.609 -3.283 1.00 0.00 H new ATOM 0 HE2 HIS A 76 15.371 3.125 -2.912 1.00 0.00 H new ATOM 782 N VAL A 77 8.503 3.030 -6.000 1.00 0.00 N ATOM 783 CA VAL A 77 7.066 2.952 -6.258 1.00 0.00 C ATOM 784 C VAL A 77 6.680 1.589 -6.832 1.00 0.00 C ATOM 785 O VAL A 77 5.792 0.914 -6.310 1.00 0.00 O ATOM 786 CB VAL A 77 6.622 4.058 -7.241 1.00 0.00 C ATOM 787 CG1 VAL A 77 5.209 3.798 -7.754 1.00 0.00 C ATOM 788 CG2 VAL A 77 6.707 5.419 -6.566 1.00 0.00 C ATOM 0 H VAL A 77 8.979 3.772 -6.514 1.00 0.00 H new ATOM 0 HA VAL A 77 6.560 3.092 -5.303 1.00 0.00 H new ATOM 0 HB VAL A 77 7.294 4.049 -8.099 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.921 4.591 -8.444 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.180 2.839 -8.271 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.515 3.778 -6.914 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.392 6.193 -7.266 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.055 5.433 -5.692 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.735 5.607 -6.255 1.00 0.00 H new ATOM 798 N ARG A 78 7.366 1.195 -7.906 1.00 0.00 N ATOM 799 CA ARG A 78 7.097 -0.075 -8.574 1.00 0.00 C ATOM 800 C ARG A 78 7.532 -1.263 -7.719 1.00 0.00 C ATOM 801 O ARG A 78 6.790 -2.237 -7.598 1.00 0.00 O ATOM 802 CB ARG A 78 7.798 -0.124 -9.934 1.00 0.00 C ATOM 803 CG ARG A 78 7.476 -1.372 -10.736 1.00 0.00 C ATOM 804 CD ARG A 78 8.255 -1.417 -12.039 1.00 0.00 C ATOM 805 NE ARG A 78 7.894 -2.578 -12.851 1.00 0.00 N ATOM 806 CZ ARG A 78 8.020 -2.634 -14.180 1.00 0.00 C ATOM 807 NH1 ARG A 78 8.508 -1.599 -14.859 1.00 0.00 N ATOM 808 NH2 ARG A 78 7.654 -3.732 -14.832 1.00 0.00 N ATOM 0 H ARG A 78 8.115 1.741 -8.332 1.00 0.00 H new ATOM 0 HA ARG A 78 6.020 -0.145 -8.724 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.512 0.754 -10.513 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.876 -0.068 -9.781 1.00 0.00 H new ATOM 0 HG2 ARG A 78 7.708 -2.256 -10.142 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.407 -1.402 -10.949 1.00 0.00 H new ATOM 0 HD2 ARG A 78 8.067 -0.505 -12.606 1.00 0.00 H new ATOM 0 HD3 ARG A 78 9.323 -1.443 -11.823 1.00 0.00 H new ATOM 0 HE ARG A 78 7.522 -3.398 -12.372 1.00 0.00 H new ATOM 0 HH11 ARG A 78 8.790 -0.752 -14.365 1.00 0.00 H new ATOM 0 HH12 ARG A 78 8.600 -1.652 -15.873 1.00 0.00 H new ATOM 0 HH21 ARG A 78 7.278 -4.529 -14.318 1.00 0.00 H new ATOM 0 HH22 ARG A 78 7.749 -3.778 -15.847 1.00 0.00 H new ATOM 822 N ASP A 79 8.728 -1.190 -7.133 1.00 0.00 N ATOM 823 CA ASP A 79 9.223 -2.282 -6.297 1.00 0.00 C ATOM 824 C ASP A 79 8.248 -2.565 -5.154 1.00 0.00 C ATOM 825 O ASP A 79 8.046 -3.721 -4.776 1.00 0.00 O ATOM 826 CB ASP A 79 10.618 -1.974 -5.747 1.00 0.00 C ATOM 827 CG ASP A 79 11.304 -3.208 -5.193 1.00 0.00 C ATOM 828 OD1 ASP A 79 11.990 -3.905 -5.971 1.00 0.00 O ATOM 829 OD2 ASP A 79 11.153 -3.482 -3.984 1.00 0.00 O ATOM 0 H ASP A 79 9.364 -0.397 -7.220 1.00 0.00 H new ATOM 0 HA ASP A 79 9.299 -3.172 -6.921 1.00 0.00 H new ATOM 0 HB2 ASP A 79 11.232 -1.545 -6.539 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.539 -1.222 -4.962 1.00 0.00 H new ATOM 834 N TRP A 80 7.650 -1.501 -4.605 1.00 0.00 N ATOM 835 CA TRP A 80 6.678 -1.655 -3.528 1.00 0.00 C ATOM 836 C TRP A 80 5.420 -2.314 -4.089 1.00 0.00 C ATOM 837 O TRP A 80 5.016 -3.381 -3.631 1.00 0.00 O ATOM 838 CB TRP A 80 6.350 -0.306 -2.875 1.00 0.00 C ATOM 839 CG TRP A 80 5.082 -0.317 -2.072 1.00 0.00 C ATOM 840 CD1 TRP A 80 4.857 -0.979 -0.900 1.00 0.00 C ATOM 841 CD2 TRP A 80 3.861 0.363 -2.390 1.00 0.00 C ATOM 842 NE1 TRP A 80 3.573 -0.754 -0.470 1.00 0.00 N ATOM 843 CE2 TRP A 80 2.942 0.069 -1.366 1.00 0.00 C ATOM 844 CE3 TRP A 80 3.458 1.193 -3.440 1.00 0.00 C ATOM 845 CZ2 TRP A 80 1.644 0.576 -1.362 1.00 0.00 C ATOM 846 CZ3 TRP A 80 2.171 1.695 -3.435 1.00 0.00 C ATOM 847 CH2 TRP A 80 1.278 1.385 -2.403 1.00 0.00 C ATOM 0 H TRP A 80 7.823 -0.536 -4.888 1.00 0.00 H new ATOM 0 HA TRP A 80 7.103 -2.288 -2.749 1.00 0.00 H new ATOM 0 HB2 TRP A 80 7.177 -0.015 -2.228 1.00 0.00 H new ATOM 0 HB3 TRP A 80 6.271 0.454 -3.652 1.00 0.00 H new ATOM 0 HD1 TRP A 80 5.583 -1.591 -0.386 1.00 0.00 H new ATOM 0 HE1 TRP A 80 3.156 -1.137 0.378 1.00 0.00 H new ATOM 0 HE3 TRP A 80 4.140 1.437 -4.241 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 0.953 0.339 -0.567 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 1.849 2.337 -4.241 1.00 0.00 H new ATOM 0 HH2 TRP A 80 0.278 1.793 -2.429 1.00 0.00 H new ATOM 858 N VAL A 81 4.789 -1.642 -5.061 1.00 0.00 N ATOM 859 CA VAL A 81 3.604 -2.176 -5.736 1.00 0.00 C ATOM 860 C VAL A 81 3.774 -3.669 -6.017 1.00 0.00 C ATOM 861 O VAL A 81 2.955 -4.483 -5.591 1.00 0.00 O ATOM 862 CB VAL A 81 3.337 -1.428 -7.065 1.00 0.00 C ATOM 863 CG1 VAL A 81 2.298 -2.153 -7.910 1.00 0.00 C ATOM 864 CG2 VAL A 81 2.897 0.002 -6.794 1.00 0.00 C ATOM 0 H VAL A 81 5.083 -0.725 -5.397 1.00 0.00 H new ATOM 0 HA VAL A 81 2.751 -2.029 -5.073 1.00 0.00 H new ATOM 0 HB VAL A 81 4.270 -1.406 -7.628 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.133 -1.602 -8.836 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.654 -3.156 -8.143 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.361 -2.220 -7.356 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.714 0.512 -7.740 1.00 0.00 H new ATOM 0 HG22 VAL A 81 1.981 -0.005 -6.202 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.680 0.526 -6.245 1.00 0.00 H new ATOM 874 N MET A 82 4.856 -4.015 -6.720 1.00 0.00 N ATOM 875 CA MET A 82 5.158 -5.406 -7.058 1.00 0.00 C ATOM 876 C MET A 82 5.190 -6.277 -5.802 1.00 0.00 C ATOM 877 O MET A 82 4.624 -7.372 -5.780 1.00 0.00 O ATOM 878 CB MET A 82 6.503 -5.486 -7.781 1.00 0.00 C ATOM 879 CG MET A 82 6.777 -6.836 -8.423 1.00 0.00 C ATOM 880 SD MET A 82 8.205 -6.801 -9.524 1.00 0.00 S ATOM 881 CE MET A 82 7.706 -5.530 -10.685 1.00 0.00 C ATOM 0 H MET A 82 5.541 -3.344 -7.068 1.00 0.00 H new ATOM 0 HA MET A 82 4.372 -5.778 -7.715 1.00 0.00 H new ATOM 0 HB2 MET A 82 6.537 -4.715 -8.551 1.00 0.00 H new ATOM 0 HB3 MET A 82 7.300 -5.264 -7.071 1.00 0.00 H new ATOM 0 HG2 MET A 82 6.942 -7.579 -7.643 1.00 0.00 H new ATOM 0 HG3 MET A 82 5.898 -7.153 -8.984 1.00 0.00 H new ATOM 0 HE1 MET A 82 8.446 -5.454 -11.481 1.00 0.00 H new ATOM 0 HE2 MET A 82 6.738 -5.788 -11.113 1.00 0.00 H new ATOM 0 HE3 MET A 82 7.630 -4.574 -10.167 1.00 0.00 H new ATOM 891 N TRP A 83 5.862 -5.778 -4.763 1.00 0.00 N ATOM 892 CA TRP A 83 5.966 -6.484 -3.487 1.00 0.00 C ATOM 893 C TRP A 83 4.579 -6.738 -2.885 1.00 0.00 C ATOM 894 O TRP A 83 4.349 -7.775 -2.265 1.00 0.00 O ATOM 895 CB TRP A 83 6.840 -5.676 -2.518 1.00 0.00 C ATOM 896 CG TRP A 83 6.691 -6.074 -1.080 1.00 0.00 C ATOM 897 CD1 TRP A 83 7.424 -7.006 -0.405 1.00 0.00 C ATOM 898 CD2 TRP A 83 5.750 -5.543 -0.139 1.00 0.00 C ATOM 899 NE1 TRP A 83 6.999 -7.087 0.898 1.00 0.00 N ATOM 900 CE2 TRP A 83 5.970 -6.201 1.084 1.00 0.00 C ATOM 901 CE3 TRP A 83 4.743 -4.576 -0.216 1.00 0.00 C ATOM 902 CZ2 TRP A 83 5.218 -5.921 2.222 1.00 0.00 C ATOM 903 CZ3 TRP A 83 3.998 -4.301 0.915 1.00 0.00 C ATOM 904 CH2 TRP A 83 4.239 -4.971 2.120 1.00 0.00 C ATOM 0 H TRP A 83 6.346 -4.880 -4.782 1.00 0.00 H new ATOM 0 HA TRP A 83 6.433 -7.453 -3.661 1.00 0.00 H new ATOM 0 HB2 TRP A 83 7.885 -5.788 -2.808 1.00 0.00 H new ATOM 0 HB3 TRP A 83 6.593 -4.619 -2.619 1.00 0.00 H new ATOM 0 HD1 TRP A 83 8.222 -7.594 -0.833 1.00 0.00 H new ATOM 0 HE1 TRP A 83 7.386 -7.705 1.611 1.00 0.00 H new ATOM 0 HE3 TRP A 83 4.551 -4.054 -1.142 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 5.401 -6.436 3.153 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 3.217 -3.557 0.868 1.00 0.00 H new ATOM 0 HH2 TRP A 83 3.640 -4.733 2.987 1.00 0.00 H new ATOM 915 N ALA A 84 3.662 -5.787 -3.078 1.00 0.00 N ATOM 916 CA ALA A 84 2.299 -5.913 -2.564 1.00 0.00 C ATOM 917 C ALA A 84 1.470 -6.879 -3.416 1.00 0.00 C ATOM 918 O ALA A 84 0.442 -7.386 -2.968 1.00 0.00 O ATOM 919 CB ALA A 84 1.627 -4.548 -2.502 1.00 0.00 C ATOM 0 H ALA A 84 3.840 -4.921 -3.587 1.00 0.00 H new ATOM 0 HA ALA A 84 2.358 -6.322 -1.555 1.00 0.00 H new ATOM 0 HB1 ALA A 84 0.613 -4.659 -2.117 1.00 0.00 H new ATOM 0 HB2 ALA A 84 2.196 -3.892 -1.843 1.00 0.00 H new ATOM 0 HB3 ALA A 84 1.591 -4.115 -3.501 1.00 0.00 H new ATOM 925 N VAL A 85 1.929 -7.134 -4.643 1.00 0.00 N ATOM 926 CA VAL A 85 1.239 -8.041 -5.556 1.00 0.00 C ATOM 927 C VAL A 85 1.622 -9.493 -5.266 1.00 0.00 C ATOM 928 O VAL A 85 0.806 -10.401 -5.426 1.00 0.00 O ATOM 929 CB VAL A 85 1.564 -7.710 -7.029 1.00 0.00 C ATOM 930 CG1 VAL A 85 0.874 -8.687 -7.970 1.00 0.00 C ATOM 931 CG2 VAL A 85 1.161 -6.279 -7.353 1.00 0.00 C ATOM 0 H VAL A 85 2.780 -6.722 -5.026 1.00 0.00 H new ATOM 0 HA VAL A 85 0.169 -7.910 -5.397 1.00 0.00 H new ATOM 0 HB VAL A 85 2.640 -7.808 -7.171 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.118 -8.433 -9.001 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.214 -9.700 -7.756 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.205 -8.629 -7.828 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.397 -6.062 -8.395 1.00 0.00 H new ATOM 0 HG22 VAL A 85 0.090 -6.157 -7.190 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.707 -5.592 -6.707 1.00 0.00 H new ATOM 941 N ASN A 86 2.870 -9.701 -4.840 1.00 0.00 N ATOM 942 CA ASN A 86 3.368 -11.037 -4.520 1.00 0.00 C ATOM 943 C ASN A 86 3.084 -11.388 -3.060 1.00 0.00 C ATOM 944 O ASN A 86 2.804 -12.543 -2.735 1.00 0.00 O ATOM 945 CB ASN A 86 4.876 -11.125 -4.791 1.00 0.00 C ATOM 946 CG ASN A 86 5.226 -10.931 -6.259 1.00 0.00 C ATOM 947 OD1 ASN A 86 4.546 -10.206 -6.985 1.00 0.00 O ATOM 948 ND2 ASN A 86 6.299 -11.580 -6.703 1.00 0.00 N ATOM 0 H ASN A 86 3.555 -8.957 -4.709 1.00 0.00 H new ATOM 0 HA ASN A 86 2.848 -11.752 -5.158 1.00 0.00 H new ATOM 0 HB2 ASN A 86 5.391 -10.370 -4.197 1.00 0.00 H new ATOM 0 HB3 ASN A 86 5.243 -12.097 -4.460 1.00 0.00 H new ATOM 0 HD21 ASN A 86 6.585 -11.486 -7.678 1.00 0.00 H new ATOM 0 HD22 ASN A 86 6.836 -12.171 -6.069 1.00 0.00 H new ATOM 955 N GLU A 87 3.153 -10.381 -2.184 1.00 0.00 N ATOM 956 CA GLU A 87 2.905 -10.574 -0.759 1.00 0.00 C ATOM 957 C GLU A 87 1.415 -10.775 -0.481 1.00 0.00 C ATOM 958 O GLU A 87 1.040 -11.622 0.332 1.00 0.00 O ATOM 959 CB GLU A 87 3.436 -9.373 0.031 1.00 0.00 C ATOM 960 CG GLU A 87 3.506 -9.607 1.530 1.00 0.00 C ATOM 961 CD GLU A 87 2.408 -8.889 2.290 1.00 0.00 C ATOM 962 OE1 GLU A 87 1.280 -9.422 2.354 1.00 0.00 O ATOM 963 OE2 GLU A 87 2.677 -7.794 2.825 1.00 0.00 O ATOM 0 H GLU A 87 3.380 -9.421 -2.442 1.00 0.00 H new ATOM 0 HA GLU A 87 3.430 -11.474 -0.439 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.431 -9.121 -0.335 1.00 0.00 H new ATOM 0 HB3 GLU A 87 2.797 -8.511 -0.163 1.00 0.00 H new ATOM 0 HG2 GLU A 87 3.440 -10.677 1.729 1.00 0.00 H new ATOM 0 HG3 GLU A 87 4.475 -9.273 1.900 1.00 0.00 H new ATOM 970 N PHE A 88 0.571 -9.995 -1.162 1.00 0.00 N ATOM 971 CA PHE A 88 -0.879 -10.095 -0.987 1.00 0.00 C ATOM 972 C PHE A 88 -1.536 -10.898 -2.118 1.00 0.00 C ATOM 973 O PHE A 88 -2.765 -10.970 -2.193 1.00 0.00 O ATOM 974 CB PHE A 88 -1.508 -8.700 -0.919 1.00 0.00 C ATOM 975 CG PHE A 88 -1.077 -7.890 0.272 1.00 0.00 C ATOM 976 CD1 PHE A 88 -1.756 -7.993 1.476 1.00 0.00 C ATOM 977 CD2 PHE A 88 0.001 -7.024 0.187 1.00 0.00 C ATOM 978 CE1 PHE A 88 -1.367 -7.247 2.572 1.00 0.00 C ATOM 979 CE2 PHE A 88 0.393 -6.274 1.279 1.00 0.00 C ATOM 980 CZ PHE A 88 -0.291 -6.386 2.474 1.00 0.00 C ATOM 0 H PHE A 88 0.866 -9.290 -1.837 1.00 0.00 H new ATOM 0 HA PHE A 88 -1.054 -10.622 -0.049 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -1.254 -8.154 -1.828 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -2.593 -8.803 -0.902 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -2.598 -8.664 1.558 1.00 0.00 H new ATOM 0 HD2 PHE A 88 0.541 -6.934 -0.744 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -1.904 -7.337 3.505 1.00 0.00 H new ATOM 0 HE2 PHE A 88 1.234 -5.601 1.198 1.00 0.00 H new ATOM 0 HZ PHE A 88 0.015 -5.802 3.329 1.00 0.00 H new ATOM 990 N SER A 89 -0.715 -11.513 -2.986 1.00 0.00 N ATOM 991 CA SER A 89 -1.217 -12.298 -4.118 1.00 0.00 C ATOM 992 C SER A 89 -2.337 -11.556 -4.852 1.00 0.00 C ATOM 993 O SER A 89 -3.446 -12.071 -5.003 1.00 0.00 O ATOM 994 CB SER A 89 -1.709 -13.668 -3.639 1.00 0.00 C ATOM 995 OG SER A 89 -0.656 -14.415 -3.056 1.00 0.00 O ATOM 0 H SER A 89 0.302 -11.479 -2.922 1.00 0.00 H new ATOM 0 HA SER A 89 -0.395 -12.444 -4.819 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.510 -13.536 -2.912 1.00 0.00 H new ATOM 0 HB3 SER A 89 -2.129 -14.221 -4.479 1.00 0.00 H new ATOM 0 HG SER A 89 -0.997 -15.284 -2.757 1.00 0.00 H new ATOM 1001 N LEU A 90 -2.034 -10.342 -5.310 1.00 0.00 N ATOM 1002 CA LEU A 90 -3.014 -9.521 -6.015 1.00 0.00 C ATOM 1003 C LEU A 90 -3.058 -9.864 -7.505 1.00 0.00 C ATOM 1004 O LEU A 90 -2.239 -10.644 -7.997 1.00 0.00 O ATOM 1005 CB LEU A 90 -2.695 -8.037 -5.816 1.00 0.00 C ATOM 1006 CG LEU A 90 -2.607 -7.582 -4.355 1.00 0.00 C ATOM 1007 CD1 LEU A 90 -2.311 -6.092 -4.273 1.00 0.00 C ATOM 1008 CD2 LEU A 90 -3.895 -7.910 -3.612 1.00 0.00 C ATOM 0 H LEU A 90 -1.118 -9.906 -5.205 1.00 0.00 H new ATOM 0 HA LEU A 90 -3.998 -9.732 -5.597 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.747 -7.816 -6.307 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.460 -7.446 -6.319 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.788 -8.122 -3.880 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.253 -5.790 -3.227 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -1.361 -5.882 -4.765 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -3.107 -5.535 -4.768 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.812 -7.579 -2.577 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.731 -7.400 -4.090 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.065 -8.986 -3.636 1.00 0.00 H new ATOM 1020 N LYS A 91 -4.019 -9.274 -8.220 1.00 0.00 N ATOM 1021 CA LYS A 91 -4.174 -9.526 -9.654 1.00 0.00 C ATOM 1022 C LYS A 91 -4.786 -8.324 -10.376 1.00 0.00 C ATOM 1023 O LYS A 91 -5.531 -7.540 -9.783 1.00 0.00 O ATOM 1024 CB LYS A 91 -5.037 -10.774 -9.890 1.00 0.00 C ATOM 1025 CG LYS A 91 -6.478 -10.642 -9.411 1.00 0.00 C ATOM 1026 CD LYS A 91 -6.596 -10.813 -7.902 1.00 0.00 C ATOM 1027 CE LYS A 91 -8.040 -10.705 -7.437 1.00 0.00 C ATOM 1028 NZ LYS A 91 -8.598 -9.338 -7.644 1.00 0.00 N ATOM 0 H LYS A 91 -4.699 -8.621 -7.831 1.00 0.00 H new ATOM 0 HA LYS A 91 -3.179 -9.695 -10.065 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -5.041 -11.002 -10.956 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.575 -11.622 -9.384 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -6.867 -9.665 -9.697 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -7.096 -11.389 -9.910 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -6.192 -11.783 -7.613 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -5.994 -10.055 -7.401 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -8.649 -11.430 -7.977 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -8.100 -10.964 -6.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -9.525 -9.267 -7.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -7.951 -8.633 -7.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -8.708 -9.159 -8.662 1.00 0.00 H new ATOM 1042 N GLY A 92 -4.459 -8.189 -11.666 1.00 0.00 N ATOM 1043 CA GLY A 92 -4.982 -7.090 -12.468 1.00 0.00 C ATOM 1044 C GLY A 92 -4.185 -5.797 -12.330 1.00 0.00 C ATOM 1045 O GLY A 92 -4.494 -4.809 -12.998 1.00 0.00 O ATOM 0 H GLY A 92 -3.839 -8.824 -12.169 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -4.993 -7.390 -13.516 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -6.016 -6.902 -12.180 1.00 0.00 H new ATOM 1049 N VAL A 93 -3.162 -5.799 -11.471 1.00 0.00 N ATOM 1050 CA VAL A 93 -2.336 -4.613 -11.253 1.00 0.00 C ATOM 1051 C VAL A 93 -1.316 -4.433 -12.375 1.00 0.00 C ATOM 1052 O VAL A 93 -0.662 -5.389 -12.797 1.00 0.00 O ATOM 1053 CB VAL A 93 -1.605 -4.686 -9.895 1.00 0.00 C ATOM 1054 CG1 VAL A 93 -0.647 -5.868 -9.857 1.00 0.00 C ATOM 1055 CG2 VAL A 93 -0.874 -3.382 -9.602 1.00 0.00 C ATOM 0 H VAL A 93 -2.888 -6.610 -10.916 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.005 -3.753 -11.248 1.00 0.00 H new ATOM 0 HB VAL A 93 -2.353 -4.835 -9.116 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.144 -5.898 -8.890 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -1.204 -6.793 -10.005 1.00 0.00 H new ATOM 0 HG13 VAL A 93 0.095 -5.761 -10.649 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.367 -3.457 -8.640 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -0.140 -3.192 -10.385 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.591 -2.562 -9.570 1.00 0.00 H new ATOM 1065 N ASP A 94 -1.194 -3.196 -12.854 1.00 0.00 N ATOM 1066 CA ASP A 94 -0.262 -2.872 -13.927 1.00 0.00 C ATOM 1067 C ASP A 94 0.868 -1.978 -13.420 1.00 0.00 C ATOM 1068 O ASP A 94 0.634 -1.040 -12.657 1.00 0.00 O ATOM 1069 CB ASP A 94 -1.005 -2.172 -15.066 1.00 0.00 C ATOM 1070 CG ASP A 94 -2.107 -3.031 -15.659 1.00 0.00 C ATOM 1071 OD1 ASP A 94 -3.251 -2.952 -15.164 1.00 0.00 O ATOM 1072 OD2 ASP A 94 -1.826 -3.780 -16.618 1.00 0.00 O ATOM 0 H ASP A 94 -1.733 -2.400 -12.512 1.00 0.00 H new ATOM 0 HA ASP A 94 0.174 -3.801 -14.293 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -1.434 -1.241 -14.696 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -0.295 -1.907 -15.849 1.00 0.00 H new ATOM 1077 N PHE A 95 2.093 -2.277 -13.856 1.00 0.00 N ATOM 1078 CA PHE A 95 3.264 -1.497 -13.454 1.00 0.00 C ATOM 1079 C PHE A 95 3.483 -0.313 -14.399 1.00 0.00 C ATOM 1080 O PHE A 95 4.094 0.686 -14.011 1.00 0.00 O ATOM 1081 CB PHE A 95 4.512 -2.383 -13.400 1.00 0.00 C ATOM 1082 CG PHE A 95 4.397 -3.511 -12.413 1.00 0.00 C ATOM 1083 CD1 PHE A 95 4.470 -3.269 -11.051 1.00 0.00 C ATOM 1084 CD2 PHE A 95 4.208 -4.814 -12.849 1.00 0.00 C ATOM 1085 CE1 PHE A 95 4.359 -4.303 -10.143 1.00 0.00 C ATOM 1086 CE2 PHE A 95 4.094 -5.852 -11.944 1.00 0.00 C ATOM 1087 CZ PHE A 95 4.170 -5.596 -10.590 1.00 0.00 C ATOM 0 H PHE A 95 2.299 -3.052 -14.486 1.00 0.00 H new ATOM 0 HA PHE A 95 3.080 -1.103 -12.455 1.00 0.00 H new ATOM 0 HB2 PHE A 95 4.700 -2.795 -14.392 1.00 0.00 H new ATOM 0 HB3 PHE A 95 5.374 -1.769 -13.141 1.00 0.00 H new ATOM 0 HD1 PHE A 95 4.615 -2.260 -10.695 1.00 0.00 H new ATOM 0 HD2 PHE A 95 4.149 -5.020 -13.908 1.00 0.00 H new ATOM 0 HE1 PHE A 95 4.420 -4.101 -9.084 1.00 0.00 H new ATOM 0 HE2 PHE A 95 3.946 -6.862 -12.296 1.00 0.00 H new ATOM 0 HZ PHE A 95 4.082 -6.406 -9.881 1.00 0.00 H new ATOM 1097 N GLN A 96 2.987 -0.426 -15.635 1.00 0.00 N ATOM 1098 CA GLN A 96 3.099 0.659 -16.612 1.00 0.00 C ATOM 1099 C GLN A 96 2.374 1.903 -16.093 1.00 0.00 C ATOM 1100 O GLN A 96 2.790 3.034 -16.352 1.00 0.00 O ATOM 1101 CB GLN A 96 2.506 0.234 -17.959 1.00 0.00 C ATOM 1102 CG GLN A 96 3.228 -0.940 -18.602 1.00 0.00 C ATOM 1103 CD GLN A 96 2.595 -1.369 -19.913 1.00 0.00 C ATOM 1104 OE1 GLN A 96 1.710 -2.224 -19.937 1.00 0.00 O ATOM 1105 NE2 GLN A 96 3.046 -0.774 -21.014 1.00 0.00 N ATOM 0 H GLN A 96 2.505 -1.256 -15.981 1.00 0.00 H new ATOM 0 HA GLN A 96 4.154 0.891 -16.755 1.00 0.00 H new ATOM 0 HB2 GLN A 96 1.458 -0.029 -17.818 1.00 0.00 H new ATOM 0 HB3 GLN A 96 2.532 1.083 -18.642 1.00 0.00 H new ATOM 0 HG2 GLN A 96 4.269 -0.669 -18.777 1.00 0.00 H new ATOM 0 HG3 GLN A 96 3.230 -1.783 -17.911 1.00 0.00 H new ATOM 0 HE21 GLN A 96 3.781 -0.070 -20.949 1.00 0.00 H new ATOM 0 HE22 GLN A 96 2.656 -1.022 -21.924 1.00 0.00 H new ATOM 1114 N LYS A 97 1.284 1.672 -15.357 1.00 0.00 N ATOM 1115 CA LYS A 97 0.488 2.744 -14.765 1.00 0.00 C ATOM 1116 C LYS A 97 1.243 3.424 -13.622 1.00 0.00 C ATOM 1117 O LYS A 97 1.105 4.630 -13.413 1.00 0.00 O ATOM 1118 CB LYS A 97 -0.836 2.182 -14.240 1.00 0.00 C ATOM 1119 CG LYS A 97 -1.885 1.954 -15.320 1.00 0.00 C ATOM 1120 CD LYS A 97 -1.406 0.969 -16.374 1.00 0.00 C ATOM 1121 CE LYS A 97 -2.534 0.554 -17.305 1.00 0.00 C ATOM 1122 NZ LYS A 97 -2.075 -0.416 -18.339 1.00 0.00 N ATOM 0 H LYS A 97 0.931 0.736 -15.156 1.00 0.00 H new ATOM 0 HA LYS A 97 0.291 3.486 -15.539 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.642 1.237 -13.732 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.240 2.868 -13.495 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -2.801 1.580 -14.863 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -2.130 2.904 -15.795 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -0.601 1.419 -16.955 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -0.992 0.086 -15.887 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -3.340 0.108 -16.722 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -2.945 1.438 -17.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -2.874 -0.673 -18.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -1.323 0.018 -18.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -1.707 -1.270 -17.874 1.00 0.00 H new ATOM 1136 N PHE A 98 2.042 2.646 -12.886 1.00 0.00 N ATOM 1137 CA PHE A 98 2.812 3.177 -11.762 1.00 0.00 C ATOM 1138 C PHE A 98 4.260 3.478 -12.158 1.00 0.00 C ATOM 1139 O PHE A 98 5.175 3.341 -11.341 1.00 0.00 O ATOM 1140 CB PHE A 98 2.785 2.192 -10.588 1.00 0.00 C ATOM 1141 CG PHE A 98 1.410 1.947 -10.031 1.00 0.00 C ATOM 1142 CD1 PHE A 98 0.653 2.997 -9.535 1.00 0.00 C ATOM 1143 CD2 PHE A 98 0.878 0.668 -10.003 1.00 0.00 C ATOM 1144 CE1 PHE A 98 -0.609 2.775 -9.021 1.00 0.00 C ATOM 1145 CE2 PHE A 98 -0.384 0.441 -9.489 1.00 0.00 C ATOM 1146 CZ PHE A 98 -1.128 1.497 -8.998 1.00 0.00 C ATOM 0 H PHE A 98 2.171 1.648 -13.050 1.00 0.00 H new ATOM 0 HA PHE A 98 2.347 4.115 -11.459 1.00 0.00 H new ATOM 0 HB2 PHE A 98 3.209 1.242 -10.913 1.00 0.00 H new ATOM 0 HB3 PHE A 98 3.426 2.572 -9.793 1.00 0.00 H new ATOM 0 HD1 PHE A 98 1.055 3.999 -9.551 1.00 0.00 H new ATOM 0 HD2 PHE A 98 1.456 -0.160 -10.387 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -1.189 3.601 -8.637 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -0.789 -0.560 -9.471 1.00 0.00 H new ATOM 0 HZ PHE A 98 -2.115 1.322 -8.597 1.00 0.00 H new ATOM 1156 N CYS A 99 4.469 3.894 -13.410 1.00 0.00 N ATOM 1157 CA CYS A 99 5.809 4.220 -13.893 1.00 0.00 C ATOM 1158 C CYS A 99 6.132 5.690 -13.613 1.00 0.00 C ATOM 1159 O CYS A 99 6.275 6.498 -14.534 1.00 0.00 O ATOM 1160 CB CYS A 99 5.924 3.917 -15.392 1.00 0.00 C ATOM 1161 SG CYS A 99 7.596 4.092 -16.059 1.00 0.00 S ATOM 0 H CYS A 99 3.730 4.012 -14.103 1.00 0.00 H new ATOM 0 HA CYS A 99 6.532 3.602 -13.361 1.00 0.00 H new ATOM 0 HB2 CYS A 99 5.578 2.899 -15.573 1.00 0.00 H new ATOM 0 HB3 CYS A 99 5.256 4.583 -15.938 1.00 0.00 H new ATOM 0 HG CYS A 99 8.241 4.994 -15.381 1.00 0.00 H new ATOM 1167 N MET A 100 6.237 6.025 -12.326 1.00 0.00 N ATOM 1168 CA MET A 100 6.534 7.391 -11.901 1.00 0.00 C ATOM 1169 C MET A 100 7.128 7.404 -10.493 1.00 0.00 C ATOM 1170 O MET A 100 7.071 6.403 -9.775 1.00 0.00 O ATOM 1171 CB MET A 100 5.262 8.246 -11.941 1.00 0.00 C ATOM 1172 CG MET A 100 4.283 7.940 -10.816 1.00 0.00 C ATOM 1173 SD MET A 100 2.642 8.619 -11.116 1.00 0.00 S ATOM 1174 CE MET A 100 2.053 7.525 -12.406 1.00 0.00 C ATOM 0 H MET A 100 6.120 5.364 -11.558 1.00 0.00 H new ATOM 0 HA MET A 100 7.268 7.811 -12.589 1.00 0.00 H new ATOM 0 HB2 MET A 100 5.541 9.299 -11.892 1.00 0.00 H new ATOM 0 HB3 MET A 100 4.762 8.093 -12.897 1.00 0.00 H new ATOM 0 HG2 MET A 100 4.207 6.860 -10.690 1.00 0.00 H new ATOM 0 HG3 MET A 100 4.673 8.343 -9.881 1.00 0.00 H new ATOM 0 HE1 MET A 100 1.777 8.111 -13.283 1.00 0.00 H new ATOM 0 HE2 MET A 100 2.841 6.821 -12.674 1.00 0.00 H new ATOM 0 HE3 MET A 100 1.182 6.976 -12.048 1.00 0.00 H new ATOM 1184 N SER A 101 7.685 8.549 -10.100 1.00 0.00 N ATOM 1185 CA SER A 101 8.292 8.694 -8.780 1.00 0.00 C ATOM 1186 C SER A 101 7.230 8.760 -7.684 1.00 0.00 C ATOM 1187 O SER A 101 6.061 9.049 -7.953 1.00 0.00 O ATOM 1188 CB SER A 101 9.180 9.940 -8.733 1.00 0.00 C ATOM 1189 OG SER A 101 10.265 9.828 -9.638 1.00 0.00 O ATOM 0 H SER A 101 7.728 9.389 -10.678 1.00 0.00 H new ATOM 0 HA SER A 101 8.909 7.814 -8.599 1.00 0.00 H new ATOM 0 HB2 SER A 101 8.588 10.822 -8.978 1.00 0.00 H new ATOM 0 HB3 SER A 101 9.560 10.082 -7.721 1.00 0.00 H new ATOM 0 HG SER A 101 10.816 10.637 -9.590 1.00 0.00 H new ATOM 1195 N GLY A 102 7.649 8.490 -6.448 1.00 0.00 N ATOM 1196 CA GLY A 102 6.736 8.512 -5.318 1.00 0.00 C ATOM 1197 C GLY A 102 6.055 9.856 -5.136 1.00 0.00 C ATOM 1198 O GLY A 102 4.855 9.912 -4.861 1.00 0.00 O ATOM 0 H GLY A 102 8.612 8.255 -6.210 1.00 0.00 H new ATOM 0 HA2 GLY A 102 5.977 7.741 -5.455 1.00 0.00 H new ATOM 0 HA3 GLY A 102 7.284 8.262 -4.410 1.00 0.00 H new ATOM 1202 N ALA A 103 6.822 10.940 -5.285 1.00 0.00 N ATOM 1203 CA ALA A 103 6.281 12.292 -5.153 1.00 0.00 C ATOM 1204 C ALA A 103 5.088 12.495 -6.090 1.00 0.00 C ATOM 1205 O ALA A 103 4.094 13.122 -5.717 1.00 0.00 O ATOM 1206 CB ALA A 103 7.363 13.323 -5.441 1.00 0.00 C ATOM 0 H ALA A 103 7.819 10.906 -5.497 1.00 0.00 H new ATOM 0 HA ALA A 103 5.935 12.424 -4.128 1.00 0.00 H new ATOM 0 HB1 ALA A 103 6.947 14.325 -5.339 1.00 0.00 H new ATOM 0 HB2 ALA A 103 8.183 13.197 -4.734 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.735 13.186 -6.456 1.00 0.00 H new ATOM 1212 N ALA A 104 5.196 11.954 -7.308 1.00 0.00 N ATOM 1213 CA ALA A 104 4.125 12.056 -8.298 1.00 0.00 C ATOM 1214 C ALA A 104 2.935 11.192 -7.890 1.00 0.00 C ATOM 1215 O ALA A 104 1.783 11.619 -7.984 1.00 0.00 O ATOM 1216 CB ALA A 104 4.629 11.634 -9.670 1.00 0.00 C ATOM 0 H ALA A 104 6.017 11.441 -7.630 1.00 0.00 H new ATOM 0 HA ALA A 104 3.802 13.096 -8.347 1.00 0.00 H new ATOM 0 HB1 ALA A 104 3.820 11.716 -10.396 1.00 0.00 H new ATOM 0 HB2 ALA A 104 5.452 12.282 -9.970 1.00 0.00 H new ATOM 0 HB3 ALA A 104 4.976 10.602 -9.628 1.00 0.00 H new ATOM 1222 N LEU A 105 3.233 9.973 -7.437 1.00 0.00 N ATOM 1223 CA LEU A 105 2.212 9.024 -6.999 1.00 0.00 C ATOM 1224 C LEU A 105 1.334 9.628 -5.899 1.00 0.00 C ATOM 1225 O LEU A 105 0.111 9.478 -5.923 1.00 0.00 O ATOM 1226 CB LEU A 105 2.880 7.740 -6.495 1.00 0.00 C ATOM 1227 CG LEU A 105 1.970 6.516 -6.408 1.00 0.00 C ATOM 1228 CD1 LEU A 105 1.530 6.071 -7.795 1.00 0.00 C ATOM 1229 CD2 LEU A 105 2.678 5.384 -5.679 1.00 0.00 C ATOM 0 H LEU A 105 4.186 9.618 -7.364 1.00 0.00 H new ATOM 0 HA LEU A 105 1.573 8.789 -7.850 1.00 0.00 H new ATOM 0 HB2 LEU A 105 3.716 7.504 -7.153 1.00 0.00 H new ATOM 0 HB3 LEU A 105 3.297 7.932 -5.506 1.00 0.00 H new ATOM 0 HG LEU A 105 1.078 6.788 -5.843 1.00 0.00 H new ATOM 0 HD11 LEU A 105 0.883 5.198 -7.709 1.00 0.00 H new ATOM 0 HD12 LEU A 105 0.985 6.880 -8.281 1.00 0.00 H new ATOM 0 HD13 LEU A 105 2.407 5.815 -8.390 1.00 0.00 H new ATOM 0 HD21 LEU A 105 2.018 4.518 -5.624 1.00 0.00 H new ATOM 0 HD22 LEU A 105 3.586 5.115 -6.219 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.938 5.707 -4.671 1.00 0.00 H new ATOM 1241 N CYS A 106 1.965 10.305 -4.937 1.00 0.00 N ATOM 1242 CA CYS A 106 1.238 10.942 -3.838 1.00 0.00 C ATOM 1243 C CYS A 106 0.384 12.103 -4.351 1.00 0.00 C ATOM 1244 O CYS A 106 -0.760 12.277 -3.926 1.00 0.00 O ATOM 1245 CB CYS A 106 2.212 11.443 -2.768 1.00 0.00 C ATOM 1246 SG CYS A 106 3.155 10.133 -1.955 1.00 0.00 S ATOM 0 H CYS A 106 2.977 10.426 -4.897 1.00 0.00 H new ATOM 0 HA CYS A 106 0.579 10.196 -3.394 1.00 0.00 H new ATOM 0 HB2 CYS A 106 2.908 12.146 -3.226 1.00 0.00 H new ATOM 0 HB3 CYS A 106 1.652 11.995 -2.013 1.00 0.00 H new ATOM 0 HG CYS A 106 4.090 9.711 -2.754 1.00 0.00 H new ATOM 1252 N ALA A 107 0.952 12.892 -5.267 1.00 0.00 N ATOM 1253 CA ALA A 107 0.247 14.033 -5.853 1.00 0.00 C ATOM 1254 C ALA A 107 -0.975 13.585 -6.661 1.00 0.00 C ATOM 1255 O ALA A 107 -1.946 14.332 -6.789 1.00 0.00 O ATOM 1256 CB ALA A 107 1.193 14.840 -6.732 1.00 0.00 C ATOM 0 H ALA A 107 1.900 12.760 -5.619 1.00 0.00 H new ATOM 0 HA ALA A 107 -0.107 14.662 -5.036 1.00 0.00 H new ATOM 0 HB1 ALA A 107 0.657 15.686 -7.162 1.00 0.00 H new ATOM 0 HB2 ALA A 107 2.025 15.206 -6.131 1.00 0.00 H new ATOM 0 HB3 ALA A 107 1.575 14.207 -7.533 1.00 0.00 H new ATOM 1262 N LEU A 108 -0.918 12.364 -7.201 1.00 0.00 N ATOM 1263 CA LEU A 108 -2.018 11.813 -7.994 1.00 0.00 C ATOM 1264 C LEU A 108 -3.288 11.639 -7.158 1.00 0.00 C ATOM 1265 O LEU A 108 -4.397 11.849 -7.654 1.00 0.00 O ATOM 1266 CB LEU A 108 -1.613 10.466 -8.601 1.00 0.00 C ATOM 1267 CG LEU A 108 -0.716 10.546 -9.837 1.00 0.00 C ATOM 1268 CD1 LEU A 108 -0.395 9.150 -10.345 1.00 0.00 C ATOM 1269 CD2 LEU A 108 -1.378 11.372 -10.932 1.00 0.00 C ATOM 0 H LEU A 108 -0.119 11.738 -7.102 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.233 12.524 -8.792 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -1.099 9.883 -7.837 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -2.518 9.919 -8.865 1.00 0.00 H new ATOM 0 HG LEU A 108 0.215 11.038 -9.555 1.00 0.00 H new ATOM 0 HD11 LEU A 108 0.244 9.221 -11.225 1.00 0.00 H new ATOM 0 HD12 LEU A 108 0.121 8.589 -9.566 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -1.320 8.637 -10.609 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -0.722 11.416 -11.802 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -2.324 10.911 -11.214 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -1.562 12.382 -10.565 1.00 0.00 H new ATOM 1281 N GLY A 109 -3.123 11.265 -5.887 1.00 0.00 N ATOM 1282 CA GLY A 109 -4.266 11.061 -5.014 1.00 0.00 C ATOM 1283 C GLY A 109 -4.952 9.727 -5.248 1.00 0.00 C ATOM 1284 O GLY A 109 -4.552 8.958 -6.125 1.00 0.00 O ATOM 0 H GLY A 109 -2.217 11.100 -5.449 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -3.940 11.120 -3.976 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -4.984 11.866 -5.169 1.00 0.00 H new ATOM 1288 N LYS A 110 -5.989 9.454 -4.456 1.00 0.00 N ATOM 1289 CA LYS A 110 -6.746 8.205 -4.567 1.00 0.00 C ATOM 1290 C LYS A 110 -7.373 8.047 -5.952 1.00 0.00 C ATOM 1291 O LYS A 110 -7.182 7.025 -6.608 1.00 0.00 O ATOM 1292 CB LYS A 110 -7.841 8.148 -3.500 1.00 0.00 C ATOM 1293 CG LYS A 110 -8.636 6.852 -3.512 1.00 0.00 C ATOM 1294 CD LYS A 110 -9.718 6.851 -2.445 1.00 0.00 C ATOM 1295 CE LYS A 110 -11.033 7.408 -2.970 1.00 0.00 C ATOM 1296 NZ LYS A 110 -10.899 8.803 -3.482 1.00 0.00 N ATOM 0 H LYS A 110 -6.326 10.083 -3.727 1.00 0.00 H new ATOM 0 HA LYS A 110 -6.045 7.385 -4.414 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -7.386 8.276 -2.518 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -8.524 8.985 -3.647 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -9.091 6.712 -4.493 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -7.963 6.010 -3.350 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -9.872 5.834 -2.085 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -9.387 7.444 -1.592 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -11.403 6.765 -3.769 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -11.777 7.387 -2.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -11.844 9.220 -3.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -10.356 9.372 -2.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -10.404 8.791 -4.397 1.00 0.00 H new ATOM 1310 N GLU A 111 -8.124 9.062 -6.384 1.00 0.00 N ATOM 1311 CA GLU A 111 -8.792 9.039 -7.689 1.00 0.00 C ATOM 1312 C GLU A 111 -7.856 8.576 -8.811 1.00 0.00 C ATOM 1313 O GLU A 111 -8.187 7.649 -9.552 1.00 0.00 O ATOM 1314 CB GLU A 111 -9.372 10.423 -8.020 1.00 0.00 C ATOM 1315 CG GLU A 111 -8.351 11.553 -8.004 1.00 0.00 C ATOM 1316 CD GLU A 111 -8.985 12.914 -8.212 1.00 0.00 C ATOM 1317 OE1 GLU A 111 -9.121 13.333 -9.381 1.00 0.00 O ATOM 1318 OE2 GLU A 111 -9.344 13.562 -7.206 1.00 0.00 O ATOM 0 H GLU A 111 -8.286 9.914 -5.847 1.00 0.00 H new ATOM 0 HA GLU A 111 -9.604 8.315 -7.621 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -9.836 10.383 -9.005 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -10.162 10.653 -7.305 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -7.821 11.545 -7.052 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -7.609 11.379 -8.784 1.00 0.00 H new ATOM 1325 N CYS A 112 -6.687 9.204 -8.921 1.00 0.00 N ATOM 1326 CA CYS A 112 -5.725 8.852 -9.963 1.00 0.00 C ATOM 1327 C CYS A 112 -5.095 7.481 -9.708 1.00 0.00 C ATOM 1328 O CYS A 112 -4.925 6.692 -10.639 1.00 0.00 O ATOM 1329 CB CYS A 112 -4.636 9.919 -10.064 1.00 0.00 C ATOM 1330 SG CYS A 112 -5.220 11.513 -10.689 1.00 0.00 S ATOM 0 H CYS A 112 -6.384 9.957 -8.303 1.00 0.00 H new ATOM 0 HA CYS A 112 -6.266 8.802 -10.908 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -4.195 10.067 -9.078 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -3.843 9.553 -10.717 1.00 0.00 H new ATOM 0 HG CYS A 112 -5.160 12.400 -9.740 1.00 0.00 H new ATOM 1336 N PHE A 113 -4.758 7.195 -8.446 1.00 0.00 N ATOM 1337 CA PHE A 113 -4.145 5.917 -8.084 1.00 0.00 C ATOM 1338 C PHE A 113 -5.078 4.746 -8.399 1.00 0.00 C ATOM 1339 O PHE A 113 -4.646 3.738 -8.960 1.00 0.00 O ATOM 1340 CB PHE A 113 -3.778 5.909 -6.598 1.00 0.00 C ATOM 1341 CG PHE A 113 -2.882 4.769 -6.207 1.00 0.00 C ATOM 1342 CD1 PHE A 113 -3.415 3.539 -5.853 1.00 0.00 C ATOM 1343 CD2 PHE A 113 -1.507 4.930 -6.192 1.00 0.00 C ATOM 1344 CE1 PHE A 113 -2.591 2.492 -5.491 1.00 0.00 C ATOM 1345 CE2 PHE A 113 -0.679 3.885 -5.831 1.00 0.00 C ATOM 1346 CZ PHE A 113 -1.221 2.666 -5.480 1.00 0.00 C ATOM 0 H PHE A 113 -4.900 7.831 -7.661 1.00 0.00 H new ATOM 0 HA PHE A 113 -3.239 5.799 -8.678 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -3.286 6.849 -6.349 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -4.692 5.861 -6.007 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -4.486 3.398 -5.860 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -1.077 5.882 -6.465 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -3.017 1.538 -5.217 1.00 0.00 H new ATOM 0 HE2 PHE A 113 0.392 4.022 -5.824 1.00 0.00 H new ATOM 0 HZ PHE A 113 -0.575 1.848 -5.197 1.00 0.00 H new ATOM 1356 N LEU A 114 -6.355 4.882 -8.031 1.00 0.00 N ATOM 1357 CA LEU A 114 -7.345 3.836 -8.288 1.00 0.00 C ATOM 1358 C LEU A 114 -7.569 3.654 -9.792 1.00 0.00 C ATOM 1359 O LEU A 114 -7.979 2.584 -10.236 1.00 0.00 O ATOM 1360 CB LEU A 114 -8.667 4.149 -7.578 1.00 0.00 C ATOM 1361 CG LEU A 114 -8.778 3.617 -6.144 1.00 0.00 C ATOM 1362 CD1 LEU A 114 -7.615 4.105 -5.292 1.00 0.00 C ATOM 1363 CD2 LEU A 114 -10.105 4.029 -5.524 1.00 0.00 C ATOM 0 H LEU A 114 -6.726 5.705 -7.555 1.00 0.00 H new ATOM 0 HA LEU A 114 -6.957 2.900 -7.887 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -8.804 5.230 -7.559 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -9.485 3.734 -8.167 1.00 0.00 H new ATOM 0 HG LEU A 114 -8.737 2.528 -6.181 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -7.717 3.714 -4.280 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -6.677 3.756 -5.723 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -7.618 5.195 -5.262 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -10.167 3.643 -4.507 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -10.175 5.117 -5.504 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -10.925 3.623 -6.116 1.00 0.00 H new ATOM 1375 N GLU A 115 -7.316 4.711 -10.570 1.00 0.00 N ATOM 1376 CA GLU A 115 -7.445 4.639 -12.025 1.00 0.00 C ATOM 1377 C GLU A 115 -6.247 3.900 -12.634 1.00 0.00 C ATOM 1378 O GLU A 115 -6.328 3.384 -13.750 1.00 0.00 O ATOM 1379 CB GLU A 115 -7.555 6.043 -12.628 1.00 0.00 C ATOM 1380 CG GLU A 115 -8.905 6.706 -12.393 1.00 0.00 C ATOM 1381 CD GLU A 115 -10.051 5.952 -13.043 1.00 0.00 C ATOM 1382 OE1 GLU A 115 -10.297 6.168 -14.248 1.00 0.00 O ATOM 1383 OE2 GLU A 115 -10.702 5.146 -12.345 1.00 0.00 O ATOM 0 H GLU A 115 -7.022 5.622 -10.217 1.00 0.00 H new ATOM 0 HA GLU A 115 -8.355 4.087 -12.258 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -6.772 6.673 -12.205 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -7.371 5.983 -13.701 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -9.087 6.780 -11.321 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -8.878 7.724 -12.783 1.00 0.00 H new ATOM 1390 N LEU A 116 -5.137 3.856 -11.887 1.00 0.00 N ATOM 1391 CA LEU A 116 -3.916 3.180 -12.330 1.00 0.00 C ATOM 1392 C LEU A 116 -3.948 1.692 -11.970 1.00 0.00 C ATOM 1393 O LEU A 116 -3.518 0.845 -12.757 1.00 0.00 O ATOM 1394 CB LEU A 116 -2.690 3.837 -11.686 1.00 0.00 C ATOM 1395 CG LEU A 116 -2.436 5.289 -12.094 1.00 0.00 C ATOM 1396 CD1 LEU A 116 -1.302 5.883 -11.272 1.00 0.00 C ATOM 1397 CD2 LEU A 116 -2.123 5.381 -13.580 1.00 0.00 C ATOM 0 H LEU A 116 -5.062 4.286 -10.965 1.00 0.00 H new ATOM 0 HA LEU A 116 -3.854 3.272 -13.414 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -2.803 3.796 -10.603 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -1.808 3.247 -11.937 1.00 0.00 H new ATOM 0 HG LEU A 116 -3.341 5.864 -11.898 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -1.135 6.916 -11.576 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -1.565 5.853 -10.215 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -0.392 5.305 -11.436 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -1.945 6.422 -13.851 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -1.233 4.792 -13.802 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -2.966 4.996 -14.154 1.00 0.00 H new ATOM 1409 N ALA A 117 -4.460 1.383 -10.777 1.00 0.00 N ATOM 1410 CA ALA A 117 -4.546 0.002 -10.301 1.00 0.00 C ATOM 1411 C ALA A 117 -5.977 -0.526 -10.392 1.00 0.00 C ATOM 1412 O ALA A 117 -6.929 0.252 -10.438 1.00 0.00 O ATOM 1413 CB ALA A 117 -4.038 -0.093 -8.870 1.00 0.00 C ATOM 0 H ALA A 117 -4.823 2.074 -10.121 1.00 0.00 H new ATOM 0 HA ALA A 117 -3.918 -0.616 -10.942 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -4.107 -1.125 -8.527 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -2.999 0.234 -8.830 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -4.644 0.544 -8.226 1.00 0.00 H new ATOM 1419 N PRO A 118 -6.148 -1.863 -10.424 1.00 0.00 N ATOM 1420 CA PRO A 118 -7.472 -2.496 -10.504 1.00 0.00 C ATOM 1421 C PRO A 118 -8.397 -2.106 -9.348 1.00 0.00 C ATOM 1422 O PRO A 118 -7.998 -1.412 -8.410 1.00 0.00 O ATOM 1423 CB PRO A 118 -7.166 -4.000 -10.461 1.00 0.00 C ATOM 1424 CG PRO A 118 -5.778 -4.101 -9.936 1.00 0.00 C ATOM 1425 CD PRO A 118 -5.071 -2.863 -10.407 1.00 0.00 C ATOM 0 HA PRO A 118 -8.004 -2.181 -11.402 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -7.870 -4.527 -9.817 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -7.246 -4.446 -11.452 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -5.775 -4.163 -8.848 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -5.284 -4.999 -10.307 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -4.263 -2.577 -9.733 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -4.629 -3.000 -11.394 1.00 0.00 H new ATOM 1433 N ASP A 119 -9.640 -2.576 -9.435 1.00 0.00 N ATOM 1434 CA ASP A 119 -10.674 -2.299 -8.436 1.00 0.00 C ATOM 1435 C ASP A 119 -10.344 -2.851 -7.040 1.00 0.00 C ATOM 1436 O ASP A 119 -10.965 -2.436 -6.060 1.00 0.00 O ATOM 1437 CB ASP A 119 -12.008 -2.892 -8.914 1.00 0.00 C ATOM 1438 CG ASP A 119 -13.143 -2.669 -7.932 1.00 0.00 C ATOM 1439 OD1 ASP A 119 -13.708 -1.555 -7.918 1.00 0.00 O ATOM 1440 OD2 ASP A 119 -13.467 -3.611 -7.176 1.00 0.00 O ATOM 0 H ASP A 119 -9.961 -3.163 -10.205 1.00 0.00 H new ATOM 0 HA ASP A 119 -10.735 -1.215 -8.337 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -12.273 -2.448 -9.874 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -11.884 -3.962 -9.081 1.00 0.00 H new ATOM 1445 N PHE A 120 -9.375 -3.769 -6.934 1.00 0.00 N ATOM 1446 CA PHE A 120 -9.063 -4.346 -5.622 1.00 0.00 C ATOM 1447 C PHE A 120 -7.725 -3.859 -5.060 1.00 0.00 C ATOM 1448 O PHE A 120 -7.676 -3.336 -3.944 1.00 0.00 O ATOM 1449 CB PHE A 120 -9.119 -5.877 -5.662 1.00 0.00 C ATOM 1450 CG PHE A 120 -10.426 -6.416 -6.173 1.00 0.00 C ATOM 1451 CD1 PHE A 120 -10.619 -6.628 -7.529 1.00 0.00 C ATOM 1452 CD2 PHE A 120 -11.461 -6.706 -5.299 1.00 0.00 C ATOM 1453 CE1 PHE A 120 -11.819 -7.119 -8.003 1.00 0.00 C ATOM 1454 CE2 PHE A 120 -12.665 -7.199 -5.768 1.00 0.00 C ATOM 1455 CZ PHE A 120 -12.844 -7.405 -7.122 1.00 0.00 C ATOM 0 H PHE A 120 -8.812 -4.118 -7.710 1.00 0.00 H new ATOM 0 HA PHE A 120 -9.834 -3.991 -4.939 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -8.311 -6.246 -6.294 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -8.942 -6.265 -4.659 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -9.821 -6.407 -8.223 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -11.326 -6.545 -4.240 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -11.956 -7.279 -9.062 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -13.464 -7.423 -5.077 1.00 0.00 H new ATOM 0 HZ PHE A 120 -13.783 -7.789 -7.491 1.00 0.00 H new ATOM 1465 N VAL A 121 -6.643 -4.027 -5.826 1.00 0.00 N ATOM 1466 CA VAL A 121 -5.310 -3.611 -5.368 1.00 0.00 C ATOM 1467 C VAL A 121 -5.238 -2.100 -5.125 1.00 0.00 C ATOM 1468 O VAL A 121 -4.521 -1.648 -4.231 1.00 0.00 O ATOM 1469 CB VAL A 121 -4.189 -4.023 -6.354 1.00 0.00 C ATOM 1470 CG1 VAL A 121 -4.427 -5.423 -6.901 1.00 0.00 C ATOM 1471 CG2 VAL A 121 -4.050 -3.015 -7.482 1.00 0.00 C ATOM 0 H VAL A 121 -6.660 -4.444 -6.757 1.00 0.00 H new ATOM 0 HA VAL A 121 -5.147 -4.133 -4.425 1.00 0.00 H new ATOM 0 HB VAL A 121 -3.250 -4.034 -5.800 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -3.625 -5.686 -7.590 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -4.446 -6.137 -6.078 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -5.381 -5.451 -7.427 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -3.255 -3.332 -8.157 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -4.989 -2.952 -8.031 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -3.805 -2.037 -7.068 1.00 0.00 H new ATOM 1481 N GLY A 122 -5.976 -1.326 -5.929 1.00 0.00 N ATOM 1482 CA GLY A 122 -5.983 0.123 -5.779 1.00 0.00 C ATOM 1483 C GLY A 122 -6.324 0.567 -4.365 1.00 0.00 C ATOM 1484 O GLY A 122 -5.782 1.558 -3.874 1.00 0.00 O ATOM 0 H GLY A 122 -6.568 -1.679 -6.681 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -5.004 0.517 -6.053 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -6.705 0.552 -6.474 1.00 0.00 H new ATOM 1488 N ASP A 123 -7.223 -0.172 -3.712 1.00 0.00 N ATOM 1489 CA ASP A 123 -7.637 0.140 -2.345 1.00 0.00 C ATOM 1490 C ASP A 123 -6.550 -0.241 -1.339 1.00 0.00 C ATOM 1491 O ASP A 123 -6.255 0.516 -0.415 1.00 0.00 O ATOM 1492 CB ASP A 123 -8.936 -0.598 -2.006 1.00 0.00 C ATOM 1493 CG ASP A 123 -9.556 -0.122 -0.707 1.00 0.00 C ATOM 1494 OD1 ASP A 123 -9.170 -0.641 0.363 1.00 0.00 O ATOM 1495 OD2 ASP A 123 -10.429 0.771 -0.757 1.00 0.00 O ATOM 0 H ASP A 123 -7.679 -0.993 -4.110 1.00 0.00 H new ATOM 0 HA ASP A 123 -7.803 1.215 -2.281 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -9.650 -0.459 -2.817 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -8.735 -1.667 -1.938 1.00 0.00 H new ATOM 1500 N ILE A 124 -5.961 -1.423 -1.520 1.00 0.00 N ATOM 1501 CA ILE A 124 -4.909 -1.912 -0.627 1.00 0.00 C ATOM 1502 C ILE A 124 -3.673 -1.016 -0.672 1.00 0.00 C ATOM 1503 O ILE A 124 -3.227 -0.501 0.355 1.00 0.00 O ATOM 1504 CB ILE A 124 -4.477 -3.350 -0.996 1.00 0.00 C ATOM 1505 CG1 ILE A 124 -5.691 -4.278 -1.087 1.00 0.00 C ATOM 1506 CG2 ILE A 124 -3.474 -3.880 0.021 1.00 0.00 C ATOM 1507 CD1 ILE A 124 -5.346 -5.664 -1.581 1.00 0.00 C ATOM 0 H ILE A 124 -6.195 -2.062 -2.280 1.00 0.00 H new ATOM 0 HA ILE A 124 -5.332 -1.901 0.377 1.00 0.00 H new ATOM 0 HB ILE A 124 -3.998 -3.322 -1.975 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -6.156 -4.355 -0.104 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -6.430 -3.835 -1.755 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -3.179 -4.893 -0.252 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -2.594 -3.237 0.033 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -3.930 -3.889 1.011 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -6.250 -6.271 -1.622 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -4.908 -5.597 -2.577 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -4.630 -6.125 -0.901 1.00 0.00 H new ATOM 1519 N LEU A 125 -3.131 -0.839 -1.875 1.00 0.00 N ATOM 1520 CA LEU A 125 -1.928 -0.036 -2.078 1.00 0.00 C ATOM 1521 C LEU A 125 -2.090 1.408 -1.599 1.00 0.00 C ATOM 1522 O LEU A 125 -1.344 1.849 -0.730 1.00 0.00 O ATOM 1523 CB LEU A 125 -1.514 -0.052 -3.552 1.00 0.00 C ATOM 1524 CG LEU A 125 -0.631 -1.229 -3.974 1.00 0.00 C ATOM 1525 CD1 LEU A 125 -1.335 -2.555 -3.724 1.00 0.00 C ATOM 1526 CD2 LEU A 125 -0.245 -1.098 -5.438 1.00 0.00 C ATOM 0 H LEU A 125 -3.510 -1.245 -2.730 1.00 0.00 H new ATOM 0 HA LEU A 125 -1.145 -0.492 -1.472 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -2.415 -0.058 -4.165 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -0.985 0.875 -3.773 1.00 0.00 H new ATOM 0 HG LEU A 125 0.276 -1.210 -3.370 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -0.686 -3.375 -4.032 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -1.563 -2.652 -2.662 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -2.261 -2.589 -4.298 1.00 0.00 H new ATOM 0 HD21 LEU A 125 0.383 -1.941 -5.726 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -1.145 -1.090 -6.052 1.00 0.00 H new ATOM 0 HD23 LEU A 125 0.305 -0.169 -5.588 1.00 0.00 H new ATOM 1538 N TRP A 126 -3.063 2.139 -2.151 1.00 0.00 N ATOM 1539 CA TRP A 126 -3.260 3.544 -1.770 1.00 0.00 C ATOM 1540 C TRP A 126 -3.594 3.698 -0.280 1.00 0.00 C ATOM 1541 O TRP A 126 -3.236 4.712 0.321 1.00 0.00 O ATOM 1542 CB TRP A 126 -4.320 4.219 -2.661 1.00 0.00 C ATOM 1543 CG TRP A 126 -5.319 5.055 -1.909 1.00 0.00 C ATOM 1544 CD1 TRP A 126 -5.311 6.410 -1.756 1.00 0.00 C ATOM 1545 CD2 TRP A 126 -6.466 4.580 -1.196 1.00 0.00 C ATOM 1546 NE1 TRP A 126 -6.384 6.806 -0.996 1.00 0.00 N ATOM 1547 CE2 TRP A 126 -7.106 5.699 -0.638 1.00 0.00 C ATOM 1548 CE3 TRP A 126 -7.010 3.314 -0.976 1.00 0.00 C ATOM 1549 CZ2 TRP A 126 -8.266 5.590 0.127 1.00 0.00 C ATOM 1550 CZ3 TRP A 126 -8.159 3.205 -0.218 1.00 0.00 C ATOM 1551 CH2 TRP A 126 -8.776 4.337 0.325 1.00 0.00 C ATOM 0 H TRP A 126 -3.717 1.791 -2.852 1.00 0.00 H new ATOM 0 HA TRP A 126 -2.312 4.057 -1.933 1.00 0.00 H new ATOM 0 HB2 TRP A 126 -3.815 4.849 -3.393 1.00 0.00 H new ATOM 0 HB3 TRP A 126 -4.854 3.449 -3.217 1.00 0.00 H new ATOM 0 HD1 TRP A 126 -4.569 7.075 -2.172 1.00 0.00 H new ATOM 0 HE1 TRP A 126 -6.607 7.768 -0.740 1.00 0.00 H new ATOM 0 HE3 TRP A 126 -6.540 2.435 -1.391 1.00 0.00 H new ATOM 0 HZ2 TRP A 126 -8.744 6.462 0.548 1.00 0.00 H new ATOM 0 HZ3 TRP A 126 -8.588 2.230 -0.041 1.00 0.00 H new ATOM 0 HH2 TRP A 126 -9.674 4.219 0.913 1.00 0.00 H new ATOM 1562 N GLU A 127 -4.263 2.715 0.323 1.00 0.00 N ATOM 1563 CA GLU A 127 -4.589 2.805 1.745 1.00 0.00 C ATOM 1564 C GLU A 127 -3.303 2.806 2.576 1.00 0.00 C ATOM 1565 O GLU A 127 -3.085 3.703 3.395 1.00 0.00 O ATOM 1566 CB GLU A 127 -5.511 1.664 2.181 1.00 0.00 C ATOM 1567 CG GLU A 127 -6.075 1.843 3.582 1.00 0.00 C ATOM 1568 CD GLU A 127 -6.816 3.158 3.745 1.00 0.00 C ATOM 1569 OE1 GLU A 127 -8.019 3.208 3.410 1.00 0.00 O ATOM 1570 OE2 GLU A 127 -6.193 4.140 4.201 1.00 0.00 O ATOM 0 H GLU A 127 -4.584 1.864 -0.140 1.00 0.00 H new ATOM 0 HA GLU A 127 -5.123 3.740 1.913 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -6.336 1.583 1.473 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -4.960 0.725 2.137 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -6.751 1.018 3.806 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -5.262 1.795 4.307 1.00 0.00 H new ATOM 1577 N HIS A 128 -2.454 1.800 2.352 1.00 0.00 N ATOM 1578 CA HIS A 128 -1.176 1.702 3.056 1.00 0.00 C ATOM 1579 C HIS A 128 -0.233 2.817 2.599 1.00 0.00 C ATOM 1580 O HIS A 128 0.597 3.298 3.371 1.00 0.00 O ATOM 1581 CB HIS A 128 -0.535 0.331 2.813 1.00 0.00 C ATOM 1582 CG HIS A 128 0.819 0.173 3.440 1.00 0.00 C ATOM 1583 ND1 HIS A 128 1.947 -0.148 2.718 1.00 0.00 N ATOM 1584 CD2 HIS A 128 1.219 0.286 4.729 1.00 0.00 C ATOM 1585 CE1 HIS A 128 2.983 -0.229 3.533 1.00 0.00 C ATOM 1586 NE2 HIS A 128 2.568 0.032 4.759 1.00 0.00 N ATOM 0 H HIS A 128 -2.629 1.044 1.690 1.00 0.00 H new ATOM 0 HA HIS A 128 -1.359 1.814 4.125 1.00 0.00 H new ATOM 0 HB2 HIS A 128 -1.197 -0.443 3.202 1.00 0.00 H new ATOM 0 HB3 HIS A 128 -0.449 0.166 1.739 1.00 0.00 H new ATOM 0 HD2 HIS A 128 0.594 0.530 5.575 1.00 0.00 H new ATOM 0 HE1 HIS A 128 3.996 -0.468 3.246 1.00 0.00 H new ATOM 0 HE2 HIS A 128 3.155 0.043 5.593 1.00 0.00 H new ATOM 1595 N LEU A 129 -0.371 3.219 1.330 1.00 0.00 N ATOM 1596 CA LEU A 129 0.443 4.285 0.754 1.00 0.00 C ATOM 1597 C LEU A 129 0.268 5.576 1.553 1.00 0.00 C ATOM 1598 O LEU A 129 1.249 6.240 1.884 1.00 0.00 O ATOM 1599 CB LEU A 129 0.059 4.517 -0.713 1.00 0.00 C ATOM 1600 CG LEU A 129 0.987 5.448 -1.498 1.00 0.00 C ATOM 1601 CD1 LEU A 129 2.369 4.828 -1.648 1.00 0.00 C ATOM 1602 CD2 LEU A 129 0.392 5.766 -2.861 1.00 0.00 C ATOM 0 H LEU A 129 -1.046 2.815 0.681 1.00 0.00 H new ATOM 0 HA LEU A 129 1.490 3.984 0.798 1.00 0.00 H new ATOM 0 HB2 LEU A 129 0.028 3.552 -1.219 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -0.951 4.927 -0.746 1.00 0.00 H new ATOM 0 HG LEU A 129 1.090 6.379 -0.941 1.00 0.00 H new ATOM 0 HD11 LEU A 129 3.013 5.506 -2.209 1.00 0.00 H new ATOM 0 HD12 LEU A 129 2.798 4.653 -0.661 1.00 0.00 H new ATOM 0 HD13 LEU A 129 2.287 3.881 -2.181 1.00 0.00 H new ATOM 0 HD21 LEU A 129 1.064 6.429 -3.406 1.00 0.00 H new ATOM 0 HD22 LEU A 129 0.258 4.842 -3.424 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -0.573 6.255 -2.731 1.00 0.00 H new ATOM 1614 N GLU A 130 -0.987 5.917 1.868 1.00 0.00 N ATOM 1615 CA GLU A 130 -1.285 7.123 2.643 1.00 0.00 C ATOM 1616 C GLU A 130 -0.659 7.021 4.029 1.00 0.00 C ATOM 1617 O GLU A 130 -0.103 7.990 4.546 1.00 0.00 O ATOM 1618 CB GLU A 130 -2.796 7.326 2.778 1.00 0.00 C ATOM 1619 CG GLU A 130 -3.513 7.564 1.461 1.00 0.00 C ATOM 1620 CD GLU A 130 -5.016 7.412 1.594 1.00 0.00 C ATOM 1621 OE1 GLU A 130 -5.476 6.280 1.863 1.00 0.00 O ATOM 1622 OE2 GLU A 130 -5.733 8.421 1.432 1.00 0.00 O ATOM 0 H GLU A 130 -1.809 5.376 1.599 1.00 0.00 H new ATOM 0 HA GLU A 130 -0.864 7.978 2.115 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -3.227 6.449 3.260 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -2.980 8.174 3.437 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -3.281 8.565 1.098 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -3.143 6.861 0.715 1.00 0.00 H new ATOM 1629 N ILE A 131 -0.764 5.828 4.623 1.00 0.00 N ATOM 1630 CA ILE A 131 -0.199 5.562 5.943 1.00 0.00 C ATOM 1631 C ILE A 131 1.297 5.886 5.955 1.00 0.00 C ATOM 1632 O ILE A 131 1.804 6.495 6.900 1.00 0.00 O ATOM 1633 CB ILE A 131 -0.420 4.086 6.347 1.00 0.00 C ATOM 1634 CG1 ILE A 131 -1.913 3.815 6.562 1.00 0.00 C ATOM 1635 CG2 ILE A 131 0.377 3.739 7.595 1.00 0.00 C ATOM 1636 CD1 ILE A 131 -2.245 2.350 6.751 1.00 0.00 C ATOM 0 H ILE A 131 -1.239 5.028 4.204 1.00 0.00 H new ATOM 0 HA ILE A 131 -0.708 6.200 6.665 1.00 0.00 H new ATOM 0 HB ILE A 131 -0.064 3.449 5.537 1.00 0.00 H new ATOM 0 HG12 ILE A 131 -2.252 4.371 7.436 1.00 0.00 H new ATOM 0 HG13 ILE A 131 -2.469 4.197 5.706 1.00 0.00 H new ATOM 0 HG21 ILE A 131 0.204 2.695 7.858 1.00 0.00 H new ATOM 0 HG22 ILE A 131 1.439 3.894 7.403 1.00 0.00 H new ATOM 0 HG23 ILE A 131 0.060 4.378 8.419 1.00 0.00 H new ATOM 0 HD11 ILE A 131 -3.319 2.236 6.898 1.00 0.00 H new ATOM 0 HD12 ILE A 131 -1.938 1.790 5.867 1.00 0.00 H new ATOM 0 HD13 ILE A 131 -1.717 1.967 7.624 1.00 0.00 H new ATOM 1648 N LEU A 132 1.990 5.474 4.891 1.00 0.00 N ATOM 1649 CA LEU A 132 3.420 5.731 4.743 1.00 0.00 C ATOM 1650 C LEU A 132 3.698 7.235 4.656 1.00 0.00 C ATOM 1651 O LEU A 132 4.654 7.728 5.254 1.00 0.00 O ATOM 1652 CB LEU A 132 3.952 5.029 3.491 1.00 0.00 C ATOM 1653 CG LEU A 132 3.902 3.499 3.527 1.00 0.00 C ATOM 1654 CD1 LEU A 132 4.226 2.923 2.157 1.00 0.00 C ATOM 1655 CD2 LEU A 132 4.865 2.956 4.573 1.00 0.00 C ATOM 0 H LEU A 132 1.578 4.957 4.115 1.00 0.00 H new ATOM 0 HA LEU A 132 3.931 5.337 5.621 1.00 0.00 H new ATOM 0 HB2 LEU A 132 3.380 5.375 2.630 1.00 0.00 H new ATOM 0 HB3 LEU A 132 4.985 5.339 3.332 1.00 0.00 H new ATOM 0 HG LEU A 132 2.891 3.196 3.800 1.00 0.00 H new ATOM 0 HD11 LEU A 132 4.186 1.835 2.201 1.00 0.00 H new ATOM 0 HD12 LEU A 132 3.499 3.284 1.429 1.00 0.00 H new ATOM 0 HD13 LEU A 132 5.226 3.237 1.857 1.00 0.00 H new ATOM 0 HD21 LEU A 132 4.815 1.867 4.583 1.00 0.00 H new ATOM 0 HD22 LEU A 132 5.880 3.270 4.331 1.00 0.00 H new ATOM 0 HD23 LEU A 132 4.591 3.341 5.555 1.00 0.00 H new ATOM 1667 N GLN A 133 2.852 7.954 3.906 1.00 0.00 N ATOM 1668 CA GLN A 133 2.990 9.406 3.743 1.00 0.00 C ATOM 1669 C GLN A 133 2.990 10.113 5.097 1.00 0.00 C ATOM 1670 O GLN A 133 3.815 10.995 5.348 1.00 0.00 O ATOM 1671 CB GLN A 133 1.847 9.966 2.887 1.00 0.00 C ATOM 1672 CG GLN A 133 1.751 9.353 1.501 1.00 0.00 C ATOM 1673 CD GLN A 133 0.501 9.783 0.753 1.00 0.00 C ATOM 1674 OE1 GLN A 133 0.009 10.898 0.930 1.00 0.00 O ATOM 1675 NE2 GLN A 133 -0.023 8.896 -0.085 1.00 0.00 N ATOM 0 H GLN A 133 2.062 7.551 3.401 1.00 0.00 H new ATOM 0 HA GLN A 133 3.942 9.589 3.245 1.00 0.00 H new ATOM 0 HB2 GLN A 133 0.904 9.805 3.410 1.00 0.00 H new ATOM 0 HB3 GLN A 133 1.977 11.044 2.788 1.00 0.00 H new ATOM 0 HG2 GLN A 133 2.630 9.635 0.922 1.00 0.00 H new ATOM 0 HG3 GLN A 133 1.761 8.266 1.588 1.00 0.00 H new ATOM 0 HE21 GLN A 133 0.417 7.983 -0.202 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -0.865 9.128 -0.612 1.00 0.00 H new