USER MOD reduce.3.24.130724 H: found=0, std=0, add=823, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 824 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 64 CYS SG : rot 44:sc= -0.576 USER MOD Set 1.2: A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -146:sc= -2.42! (180deg=-4.44!) USER MOD Single : A 33 ASN :FLIP amide:sc= -0.214 F(o=-1.1,f=-0.21) USER MOD Single : A 39 CYS SG : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 CYS SG : rot -47:sc= -0.47 USER MOD Single : A 45 ASN : amide:sc= -0.121 X(o=-0.12,f=-0.03) USER MOD Single : A 49 CYS SG : rot 180:sc= -1.29 USER MOD Single : A 52 CYS SG : rot -179:sc= -1.04! USER MOD Single : A 54 TYR OH : rot 180:sc=-0.00942 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 CYS SG : rot 171:sc=-0.000682 USER MOD Single : A 70 HIS : no HD1:sc= -3.34 X(o=-3.3,f=-3.8) USER MOD Single : A 74 THR OG1 : rot -133:sc= 1.13 USER MOD Single : A 75 GLN : amide:sc= -0.337 X(o=-0.34,f=-0.34) USER MOD Single : A 81 GLN :FLIP amide:sc= -0.136 F(o=-1.5,f=-0.14) USER MOD Single : A 84 GLN : amide:sc= -1.64 X(o=-1.6,f=-1.4) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot -47:sc= 1.26 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot 180:sc= 0.0291 USER MOD Single : A 105 CYS SG : rot 180:sc= -0.596 USER MOD Single : A 108 CYS SG : rot -105:sc= 0.048 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 ASN : amide:sc= -1.79 K(o=-1.8,f=-4.6!) USER MOD Single : A 124 MET CE :methyl -149:sc= 0 (180deg=-0.303) USER MOD Single : A 128 ASN : amide:sc= -0.435 K(o=-0.44,f=-1.6) USER MOD Single : A 133 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 LYS NZ :NH3+ -169:sc= -0.742 (180deg=-0.878) USER MOD ----------------------------------------------------------------- ATOM 424 N ARG A 27 -7.106 -26.157 10.472 1.00 0.00 N ATOM 425 CA ARG A 27 -7.600 -27.527 10.402 1.00 0.00 C ATOM 426 C ARG A 27 -7.746 -27.979 8.952 1.00 0.00 C ATOM 427 O ARG A 27 -7.175 -27.377 8.042 1.00 0.00 O ATOM 428 CB ARG A 27 -8.945 -27.645 11.122 1.00 0.00 C ATOM 429 CG ARG A 27 -9.054 -28.872 12.012 1.00 0.00 C ATOM 430 CD ARG A 27 -10.136 -28.700 13.067 1.00 0.00 C ATOM 431 NE ARG A 27 -11.100 -29.797 13.045 1.00 0.00 N ATOM 432 CZ ARG A 27 -12.117 -29.864 12.194 1.00 0.00 C ATOM 433 NH1 ARG A 27 -12.301 -28.903 11.298 1.00 0.00 N ATOM 434 NH2 ARG A 27 -12.953 -30.894 12.236 1.00 0.00 N ATOM 0 HA ARG A 27 -6.874 -28.174 10.895 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -9.103 -26.752 11.727 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -9.743 -27.673 10.380 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -9.275 -29.747 11.401 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -8.096 -29.057 12.498 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -9.675 -28.642 14.053 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -10.656 -27.757 12.902 1.00 0.00 H new ATOM 0 HE ARG A 27 -10.986 -30.553 13.720 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -11.660 -28.110 11.262 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -13.083 -28.957 10.645 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -12.815 -31.635 12.923 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -13.734 -30.944 11.582 1.00 0.00 H new ATOM 448 N LYS A 28 -8.515 -29.042 8.743 1.00 0.00 N ATOM 449 CA LYS A 28 -8.737 -29.576 7.405 1.00 0.00 C ATOM 450 C LYS A 28 -10.222 -29.824 7.158 1.00 0.00 C ATOM 451 O LYS A 28 -11.006 -29.944 8.099 1.00 0.00 O ATOM 452 CB LYS A 28 -7.953 -30.876 7.214 1.00 0.00 C ATOM 453 CG LYS A 28 -6.456 -30.718 7.415 1.00 0.00 C ATOM 454 CD LYS A 28 -5.820 -32.010 7.902 1.00 0.00 C ATOM 455 CE LYS A 28 -4.887 -32.600 6.856 1.00 0.00 C ATOM 456 NZ LYS A 28 -4.127 -33.767 7.385 1.00 0.00 N ATOM 0 H LYS A 28 -8.996 -29.551 9.485 1.00 0.00 H new ATOM 0 HA LYS A 28 -8.384 -28.838 6.684 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -8.328 -31.623 7.914 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -8.138 -31.258 6.210 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -5.992 -30.414 6.477 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.267 -29.923 8.137 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.265 -31.820 8.821 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.600 -32.732 8.144 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -5.466 -32.908 5.985 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.188 -31.834 6.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -3.179 -33.787 6.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -4.039 -33.684 8.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -4.632 -34.645 7.150 1.00 0.00 H new ATOM 470 N PHE A 29 -10.601 -29.901 5.887 1.00 0.00 N ATOM 471 CA PHE A 29 -11.992 -30.136 5.516 1.00 0.00 C ATOM 472 C PHE A 29 -12.099 -30.581 4.061 1.00 0.00 C ATOM 473 O PHE A 29 -11.465 -30.005 3.176 1.00 0.00 O ATOM 474 CB PHE A 29 -12.821 -28.869 5.737 1.00 0.00 C ATOM 475 CG PHE A 29 -14.075 -28.822 4.911 1.00 0.00 C ATOM 476 CD1 PHE A 29 -14.044 -28.355 3.607 1.00 0.00 C ATOM 477 CD2 PHE A 29 -15.284 -29.244 5.439 1.00 0.00 C ATOM 478 CE1 PHE A 29 -15.195 -28.311 2.844 1.00 0.00 C ATOM 479 CE2 PHE A 29 -16.439 -29.203 4.680 1.00 0.00 C ATOM 480 CZ PHE A 29 -16.395 -28.734 3.382 1.00 0.00 C ATOM 0 H PHE A 29 -9.964 -29.804 5.096 1.00 0.00 H new ATOM 0 HA PHE A 29 -12.382 -30.932 6.150 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -13.087 -28.798 6.792 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -12.209 -27.998 5.503 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -13.109 -28.021 3.182 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -15.325 -29.609 6.455 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -15.157 -27.946 1.828 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -17.375 -29.538 5.102 1.00 0.00 H new ATOM 0 HZ PHE A 29 -17.297 -28.698 2.789 1.00 0.00 H new ATOM 490 N ILE A 30 -12.906 -31.609 3.821 1.00 0.00 N ATOM 491 CA ILE A 30 -13.098 -32.131 2.474 1.00 0.00 C ATOM 492 C ILE A 30 -14.472 -32.776 2.324 1.00 0.00 C ATOM 493 O ILE A 30 -15.033 -33.295 3.289 1.00 0.00 O ATOM 494 CB ILE A 30 -12.015 -33.165 2.112 1.00 0.00 C ATOM 495 CG1 ILE A 30 -12.189 -34.433 2.950 1.00 0.00 C ATOM 496 CG2 ILE A 30 -10.629 -32.574 2.316 1.00 0.00 C ATOM 497 CD1 ILE A 30 -11.126 -35.477 2.695 1.00 0.00 C ATOM 0 H ILE A 30 -13.437 -32.097 4.542 1.00 0.00 H new ATOM 0 HA ILE A 30 -13.022 -31.283 1.793 1.00 0.00 H new ATOM 0 HB ILE A 30 -12.124 -33.430 1.060 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -12.177 -34.165 4.006 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -13.168 -34.865 2.742 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -9.875 -33.317 2.056 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -10.510 -31.698 1.679 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -10.507 -32.283 3.359 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -11.313 -36.348 3.323 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -11.152 -35.774 1.647 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -10.146 -35.063 2.931 1.00 0.00 H new ATOM 509 N ILE A 31 -15.006 -32.741 1.108 1.00 0.00 N ATOM 510 CA ILE A 31 -16.313 -33.325 0.832 1.00 0.00 C ATOM 511 C ILE A 31 -16.264 -34.225 -0.398 1.00 0.00 C ATOM 512 O ILE A 31 -15.589 -33.915 -1.380 1.00 0.00 O ATOM 513 CB ILE A 31 -17.381 -32.237 0.615 1.00 0.00 C ATOM 514 CG1 ILE A 31 -18.761 -32.874 0.442 1.00 0.00 C ATOM 515 CG2 ILE A 31 -17.030 -31.382 -0.594 1.00 0.00 C ATOM 516 CD1 ILE A 31 -19.136 -33.120 -1.003 1.00 0.00 C ATOM 0 H ILE A 31 -14.554 -32.315 0.299 1.00 0.00 H new ATOM 0 HA ILE A 31 -16.584 -33.920 1.704 1.00 0.00 H new ATOM 0 HB ILE A 31 -17.406 -31.593 1.494 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -18.785 -33.821 0.982 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -19.511 -32.228 0.898 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -17.795 -30.618 -0.734 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -16.064 -30.903 -0.433 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -16.980 -32.011 -1.482 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -20.126 -33.573 -1.050 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -19.144 -32.173 -1.543 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -18.408 -33.791 -1.459 1.00 0.00 H new ATOM 528 N ALA A 32 -16.985 -35.339 -0.338 1.00 0.00 N ATOM 529 CA ALA A 32 -17.027 -36.282 -1.449 1.00 0.00 C ATOM 530 C ALA A 32 -18.444 -36.428 -1.992 1.00 0.00 C ATOM 531 O ALA A 32 -19.384 -36.684 -1.240 1.00 0.00 O ATOM 532 CB ALA A 32 -16.485 -37.636 -1.013 1.00 0.00 C ATOM 0 H ALA A 32 -17.548 -35.611 0.468 1.00 0.00 H new ATOM 0 HA ALA A 32 -16.398 -35.891 -2.249 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -16.522 -38.330 -1.852 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -15.453 -37.525 -0.680 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -17.091 -38.024 -0.194 1.00 0.00 H new ATOM 538 N ASN A 33 -18.591 -36.263 -3.303 1.00 0.00 N ATOM 539 CA ASN A 33 -19.895 -36.374 -3.946 1.00 0.00 C ATOM 540 C ASN A 33 -20.232 -37.833 -4.242 1.00 0.00 C ATOM 541 O ASN A 33 -19.397 -38.584 -4.744 1.00 0.00 O ATOM 542 CB ASN A 33 -19.919 -35.561 -5.242 1.00 0.00 C ATOM 543 CG ASN A 33 -19.386 -36.344 -6.426 1.00 0.00 C ATOM 544 OD1 ASN A 33 -18.081 -36.587 -6.435 1.00 0.00 O flip ATOM 545 ND2 ASN A 33 -20.140 -36.726 -7.322 1.00 0.00 N flip ATOM 0 H ASN A 33 -17.823 -36.052 -3.940 1.00 0.00 H new ATOM 0 HA ASN A 33 -20.645 -35.977 -3.262 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -20.941 -35.244 -5.450 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -19.325 -34.656 -5.111 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -21.137 -36.516 -7.274 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -19.767 -37.252 -8.112 1.00 0.00 H new ATOM 552 N ALA A 34 -21.462 -38.225 -3.927 1.00 0.00 N ATOM 553 CA ALA A 34 -21.912 -39.592 -4.161 1.00 0.00 C ATOM 554 C ALA A 34 -21.639 -40.021 -5.599 1.00 0.00 C ATOM 555 O ALA A 34 -21.463 -41.206 -5.880 1.00 0.00 O ATOM 556 CB ALA A 34 -23.393 -39.722 -3.841 1.00 0.00 C ATOM 0 H ALA A 34 -22.165 -37.615 -3.509 1.00 0.00 H new ATOM 0 HA ALA A 34 -21.350 -40.252 -3.500 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -23.715 -40.748 -4.020 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -23.563 -39.466 -2.795 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -23.964 -39.046 -4.478 1.00 0.00 H new ATOM 631 N CYS A 39 -13.975 -42.169 -7.726 1.00 0.00 N ATOM 632 CA CYS A 39 -14.013 -42.699 -6.368 1.00 0.00 C ATOM 633 C CYS A 39 -13.079 -41.916 -5.452 1.00 0.00 C ATOM 634 O CYS A 39 -12.297 -42.498 -4.701 1.00 0.00 O ATOM 635 CB CYS A 39 -13.627 -44.179 -6.365 1.00 0.00 C ATOM 636 SG CYS A 39 -14.418 -45.146 -5.058 1.00 0.00 S ATOM 0 HA CYS A 39 -15.031 -42.595 -5.993 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -13.886 -44.613 -7.331 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -12.545 -44.261 -6.259 1.00 0.00 H new ATOM 0 HG CYS A 39 -14.031 -46.384 -5.139 1.00 0.00 H new ATOM 642 N ALA A 40 -13.165 -40.591 -5.520 1.00 0.00 N ATOM 643 CA ALA A 40 -12.327 -39.728 -4.697 1.00 0.00 C ATOM 644 C ALA A 40 -13.088 -38.480 -4.260 1.00 0.00 C ATOM 645 O ALA A 40 -14.235 -38.270 -4.655 1.00 0.00 O ATOM 646 CB ALA A 40 -11.064 -39.341 -5.452 1.00 0.00 C ATOM 0 H ALA A 40 -13.807 -40.092 -6.137 1.00 0.00 H new ATOM 0 HA ALA A 40 -12.045 -40.283 -3.802 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -10.448 -38.696 -4.825 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -10.504 -40.240 -5.709 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -11.334 -38.809 -6.364 1.00 0.00 H new ATOM 652 N VAL A 41 -12.441 -37.655 -3.443 1.00 0.00 N ATOM 653 CA VAL A 41 -13.057 -36.427 -2.953 1.00 0.00 C ATOM 654 C VAL A 41 -13.321 -35.451 -4.094 1.00 0.00 C ATOM 655 O VAL A 41 -12.587 -35.422 -5.082 1.00 0.00 O ATOM 656 CB VAL A 41 -12.172 -35.738 -1.897 1.00 0.00 C ATOM 657 CG1 VAL A 41 -11.200 -34.775 -2.562 1.00 0.00 C ATOM 658 CG2 VAL A 41 -13.031 -35.017 -0.870 1.00 0.00 C ATOM 0 H VAL A 41 -11.491 -37.814 -3.107 1.00 0.00 H new ATOM 0 HA VAL A 41 -14.004 -36.709 -2.494 1.00 0.00 H new ATOM 0 HB VAL A 41 -11.592 -36.502 -1.379 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -10.583 -34.297 -1.801 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -10.562 -35.323 -3.255 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -11.758 -34.014 -3.107 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -12.389 -34.536 -0.132 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -13.638 -34.262 -1.369 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -13.682 -35.735 -0.372 1.00 0.00 H new ATOM 668 N ILE A 42 -14.374 -34.653 -3.950 1.00 0.00 N ATOM 669 CA ILE A 42 -14.734 -33.674 -4.968 1.00 0.00 C ATOM 670 C ILE A 42 -14.238 -32.282 -4.593 1.00 0.00 C ATOM 671 O ILE A 42 -13.823 -31.506 -5.454 1.00 0.00 O ATOM 672 CB ILE A 42 -16.258 -33.622 -5.185 1.00 0.00 C ATOM 673 CG1 ILE A 42 -16.617 -32.509 -6.172 1.00 0.00 C ATOM 674 CG2 ILE A 42 -16.975 -33.414 -3.860 1.00 0.00 C ATOM 675 CD1 ILE A 42 -17.894 -32.771 -6.939 1.00 0.00 C ATOM 0 H ILE A 42 -14.992 -34.665 -3.139 1.00 0.00 H new ATOM 0 HA ILE A 42 -14.254 -33.991 -5.894 1.00 0.00 H new ATOM 0 HB ILE A 42 -16.583 -34.574 -5.606 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -16.716 -31.570 -5.628 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -15.797 -32.383 -6.879 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -18.051 -33.379 -4.030 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -16.740 -34.238 -3.186 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -16.648 -32.475 -3.413 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -18.086 -31.941 -7.619 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -17.792 -33.693 -7.511 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -18.725 -32.867 -6.240 1.00 0.00 H new ATOM 687 N TYR A 43 -14.281 -31.973 -3.302 1.00 0.00 N ATOM 688 CA TYR A 43 -13.837 -30.674 -2.811 1.00 0.00 C ATOM 689 C TYR A 43 -12.947 -30.831 -1.581 1.00 0.00 C ATOM 690 O TYR A 43 -13.251 -31.611 -0.678 1.00 0.00 O ATOM 691 CB TYR A 43 -15.041 -29.793 -2.474 1.00 0.00 C ATOM 692 CG TYR A 43 -15.078 -28.496 -3.250 1.00 0.00 C ATOM 693 CD1 TYR A 43 -14.267 -27.426 -2.891 1.00 0.00 C ATOM 694 CD2 TYR A 43 -15.923 -28.340 -4.342 1.00 0.00 C ATOM 695 CE1 TYR A 43 -14.298 -26.238 -3.596 1.00 0.00 C ATOM 696 CE2 TYR A 43 -15.960 -27.157 -5.053 1.00 0.00 C ATOM 697 CZ TYR A 43 -15.146 -26.109 -4.677 1.00 0.00 C ATOM 698 OH TYR A 43 -15.179 -24.928 -5.383 1.00 0.00 O ATOM 0 H TYR A 43 -14.619 -32.605 -2.576 1.00 0.00 H new ATOM 0 HA TYR A 43 -13.255 -30.196 -3.599 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -15.956 -30.351 -2.672 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -15.029 -29.568 -1.407 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -13.601 -27.525 -2.046 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -16.562 -29.158 -4.640 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -13.662 -25.415 -3.303 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -16.623 -27.053 -5.899 1.00 0.00 H new ATOM 0 HH TYR A 43 -15.827 -25.002 -6.114 1.00 0.00 H new ATOM 708 N CYS A 44 -11.849 -30.085 -1.555 1.00 0.00 N ATOM 709 CA CYS A 44 -10.914 -30.140 -0.436 1.00 0.00 C ATOM 710 C CYS A 44 -10.420 -28.744 -0.072 1.00 0.00 C ATOM 711 O CYS A 44 -10.138 -27.926 -0.947 1.00 0.00 O ATOM 712 CB CYS A 44 -9.727 -31.040 -0.781 1.00 0.00 C ATOM 713 SG CYS A 44 -8.334 -30.896 0.363 1.00 0.00 S ATOM 0 H CYS A 44 -11.584 -29.435 -2.295 1.00 0.00 H new ATOM 0 HA CYS A 44 -11.438 -30.556 0.424 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -10.064 -32.077 -0.798 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -9.383 -30.800 -1.787 1.00 0.00 H new ATOM 0 HG CYS A 44 -8.076 -29.640 0.576 1.00 0.00 H new ATOM 719 N ASN A 45 -10.320 -28.478 1.227 1.00 0.00 N ATOM 720 CA ASN A 45 -9.862 -27.179 1.708 1.00 0.00 C ATOM 721 C ASN A 45 -8.371 -26.995 1.442 1.00 0.00 C ATOM 722 O ASN A 45 -7.699 -27.907 0.959 1.00 0.00 O ATOM 723 CB ASN A 45 -10.146 -27.037 3.204 1.00 0.00 C ATOM 724 CG ASN A 45 -10.558 -25.628 3.584 1.00 0.00 C ATOM 725 OD1 ASN A 45 -9.887 -24.965 4.375 1.00 0.00 O ATOM 726 ND2 ASN A 45 -11.666 -25.163 3.019 1.00 0.00 N ATOM 0 H ASN A 45 -10.550 -29.144 1.965 1.00 0.00 H new ATOM 0 HA ASN A 45 -10.407 -26.406 1.167 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -10.936 -27.733 3.489 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -9.256 -27.317 3.768 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -11.992 -24.221 3.235 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -12.191 -25.748 2.369 1.00 0.00 H new ATOM 733 N ASP A 46 -7.860 -25.811 1.761 1.00 0.00 N ATOM 734 CA ASP A 46 -6.448 -25.507 1.559 1.00 0.00 C ATOM 735 C ASP A 46 -5.601 -26.090 2.685 1.00 0.00 C ATOM 736 O ASP A 46 -4.420 -26.382 2.500 1.00 0.00 O ATOM 737 CB ASP A 46 -6.237 -23.995 1.474 1.00 0.00 C ATOM 738 CG ASP A 46 -4.772 -23.610 1.548 1.00 0.00 C ATOM 739 OD1 ASP A 46 -4.043 -23.863 0.566 1.00 0.00 O ATOM 740 OD2 ASP A 46 -4.355 -23.057 2.587 1.00 0.00 O ATOM 0 H ASP A 46 -8.403 -25.046 2.161 1.00 0.00 H new ATOM 0 HA ASP A 46 -6.134 -25.962 0.620 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -6.661 -23.624 0.541 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -6.779 -23.509 2.285 1.00 0.00 H new ATOM 745 N GLY A 47 -6.212 -26.256 3.854 1.00 0.00 N ATOM 746 CA GLY A 47 -5.498 -26.802 4.994 1.00 0.00 C ATOM 747 C GLY A 47 -4.891 -28.160 4.702 1.00 0.00 C ATOM 748 O GLY A 47 -3.695 -28.370 4.906 1.00 0.00 O ATOM 0 H GLY A 47 -7.189 -26.022 4.032 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -4.709 -26.111 5.289 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.181 -26.887 5.840 1.00 0.00 H new ATOM 752 N PHE A 48 -5.717 -29.085 4.224 1.00 0.00 N ATOM 753 CA PHE A 48 -5.256 -30.431 3.906 1.00 0.00 C ATOM 754 C PHE A 48 -4.030 -30.385 2.998 1.00 0.00 C ATOM 755 O PHE A 48 -3.017 -31.030 3.272 1.00 0.00 O ATOM 756 CB PHE A 48 -6.373 -31.230 3.233 1.00 0.00 C ATOM 757 CG PHE A 48 -6.357 -32.692 3.579 1.00 0.00 C ATOM 758 CD1 PHE A 48 -5.183 -33.424 3.495 1.00 0.00 C ATOM 759 CD2 PHE A 48 -7.515 -33.334 3.987 1.00 0.00 C ATOM 760 CE1 PHE A 48 -5.164 -34.769 3.813 1.00 0.00 C ATOM 761 CE2 PHE A 48 -7.502 -34.679 4.306 1.00 0.00 C ATOM 762 CZ PHE A 48 -6.326 -35.397 4.218 1.00 0.00 C ATOM 0 H PHE A 48 -6.709 -28.927 4.048 1.00 0.00 H new ATOM 0 HA PHE A 48 -4.978 -30.923 4.838 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -7.335 -30.807 3.521 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -6.287 -31.120 2.152 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -4.272 -32.938 3.177 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -8.438 -32.778 4.057 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -4.242 -35.328 3.745 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -8.411 -35.168 4.624 1.00 0.00 H new ATOM 0 HZ PHE A 48 -6.314 -36.448 4.465 1.00 0.00 H new ATOM 772 N CYS A 49 -4.131 -29.620 1.917 1.00 0.00 N ATOM 773 CA CYS A 49 -3.031 -29.491 0.967 1.00 0.00 C ATOM 774 C CYS A 49 -1.809 -28.866 1.632 1.00 0.00 C ATOM 775 O CYS A 49 -0.672 -29.209 1.310 1.00 0.00 O ATOM 776 CB CYS A 49 -3.463 -28.645 -0.232 1.00 0.00 C ATOM 777 SG CYS A 49 -2.906 -29.289 -1.827 1.00 0.00 S ATOM 0 H CYS A 49 -4.962 -29.080 1.676 1.00 0.00 H new ATOM 0 HA CYS A 49 -2.763 -30.489 0.621 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -4.551 -28.574 -0.240 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -3.079 -27.633 -0.106 1.00 0.00 H new ATOM 0 HG CYS A 49 -3.321 -28.508 -2.779 1.00 0.00 H new ATOM 783 N GLU A 50 -2.052 -27.945 2.560 1.00 0.00 N ATOM 784 CA GLU A 50 -0.971 -27.270 3.267 1.00 0.00 C ATOM 785 C GLU A 50 -0.311 -28.208 4.275 1.00 0.00 C ATOM 786 O GLU A 50 0.847 -28.020 4.650 1.00 0.00 O ATOM 787 CB GLU A 50 -1.498 -26.025 3.983 1.00 0.00 C ATOM 788 CG GLU A 50 -1.592 -26.184 5.491 1.00 0.00 C ATOM 789 CD GLU A 50 -0.261 -25.968 6.185 1.00 0.00 C ATOM 790 OE1 GLU A 50 0.324 -24.877 6.017 1.00 0.00 O ATOM 791 OE2 GLU A 50 0.195 -26.888 6.895 1.00 0.00 O ATOM 0 H GLU A 50 -2.988 -27.650 2.839 1.00 0.00 H new ATOM 0 HA GLU A 50 -0.224 -26.969 2.533 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -0.846 -25.182 3.755 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -2.485 -25.780 3.590 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -2.321 -25.474 5.883 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -1.962 -27.182 5.725 1.00 0.00 H new ATOM 798 N LEU A 51 -1.057 -29.218 4.709 1.00 0.00 N ATOM 799 CA LEU A 51 -0.546 -30.187 5.673 1.00 0.00 C ATOM 800 C LEU A 51 0.337 -31.224 4.987 1.00 0.00 C ATOM 801 O LEU A 51 1.480 -31.446 5.390 1.00 0.00 O ATOM 802 CB LEU A 51 -1.705 -30.881 6.391 1.00 0.00 C ATOM 803 CG LEU A 51 -1.937 -30.468 7.845 1.00 0.00 C ATOM 804 CD1 LEU A 51 -3.099 -29.492 7.943 1.00 0.00 C ATOM 805 CD2 LEU A 51 -2.191 -31.691 8.713 1.00 0.00 C ATOM 0 H LEU A 51 -2.017 -29.387 4.409 1.00 0.00 H new ATOM 0 HA LEU A 51 0.058 -29.651 6.405 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.620 -30.691 5.830 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.532 -31.957 6.363 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.039 -29.970 8.209 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.250 -29.209 8.985 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.877 -28.602 7.354 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.004 -29.964 7.561 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.354 -31.378 9.744 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.073 -32.218 8.350 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.328 -32.355 8.668 1.00 0.00 H new ATOM 817 N CYS A 52 -0.199 -31.856 3.949 1.00 0.00 N ATOM 818 CA CYS A 52 0.541 -32.870 3.206 1.00 0.00 C ATOM 819 C CYS A 52 1.395 -32.230 2.117 1.00 0.00 C ATOM 820 O CYS A 52 2.013 -32.924 1.310 1.00 0.00 O ATOM 821 CB CYS A 52 -0.423 -33.882 2.586 1.00 0.00 C ATOM 822 SG CYS A 52 0.150 -35.595 2.670 1.00 0.00 S ATOM 0 H CYS A 52 -1.143 -31.684 3.603 1.00 0.00 H new ATOM 0 HA CYS A 52 1.201 -33.387 3.903 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -1.386 -33.807 3.091 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -0.589 -33.617 1.542 1.00 0.00 H new ATOM 0 HG CYS A 52 -0.722 -36.373 2.100 1.00 0.00 H new ATOM 828 N GLY A 53 1.425 -30.901 2.099 1.00 0.00 N ATOM 829 CA GLY A 53 2.205 -30.189 1.103 1.00 0.00 C ATOM 830 C GLY A 53 1.927 -30.674 -0.306 1.00 0.00 C ATOM 831 O GLY A 53 2.852 -30.878 -1.093 1.00 0.00 O ATOM 0 H GLY A 53 0.923 -30.304 2.757 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.985 -29.123 1.167 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.266 -30.309 1.323 1.00 0.00 H new ATOM 835 N TYR A 54 0.651 -30.860 -0.625 1.00 0.00 N ATOM 836 CA TYR A 54 0.255 -31.328 -1.947 1.00 0.00 C ATOM 837 C TYR A 54 0.078 -30.157 -2.909 1.00 0.00 C ATOM 838 O TYR A 54 0.175 -28.995 -2.515 1.00 0.00 O ATOM 839 CB TYR A 54 -1.044 -32.131 -1.859 1.00 0.00 C ATOM 840 CG TYR A 54 -0.858 -33.612 -2.096 1.00 0.00 C ATOM 841 CD1 TYR A 54 -0.186 -34.404 -1.173 1.00 0.00 C ATOM 842 CD2 TYR A 54 -1.353 -34.220 -3.244 1.00 0.00 C ATOM 843 CE1 TYR A 54 -0.013 -35.758 -1.386 1.00 0.00 C ATOM 844 CE2 TYR A 54 -1.185 -35.573 -3.464 1.00 0.00 C ATOM 845 CZ TYR A 54 -0.515 -36.338 -2.533 1.00 0.00 C ATOM 846 OH TYR A 54 -0.345 -37.686 -2.750 1.00 0.00 O ATOM 0 H TYR A 54 -0.126 -30.694 0.014 1.00 0.00 H new ATOM 0 HA TYR A 54 1.047 -31.972 -2.329 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -1.487 -31.982 -0.874 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -1.753 -31.741 -2.590 1.00 0.00 H new ATOM 0 HD1 TYR A 54 0.208 -33.953 -0.274 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -1.878 -33.624 -3.976 1.00 0.00 H new ATOM 0 HE1 TYR A 54 0.512 -36.359 -0.659 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -1.577 -36.030 -4.361 1.00 0.00 H new ATOM 0 HH TYR A 54 -0.759 -37.935 -3.603 1.00 0.00 H new ATOM 856 N SER A 55 -0.184 -30.472 -4.174 1.00 0.00 N ATOM 857 CA SER A 55 -0.372 -29.448 -5.194 1.00 0.00 C ATOM 858 C SER A 55 -1.855 -29.157 -5.405 1.00 0.00 C ATOM 859 O SER A 55 -2.705 -30.019 -5.185 1.00 0.00 O ATOM 860 CB SER A 55 0.265 -29.889 -6.513 1.00 0.00 C ATOM 861 OG SER A 55 1.520 -29.259 -6.709 1.00 0.00 O ATOM 0 H SER A 55 -0.271 -31.429 -4.516 1.00 0.00 H new ATOM 0 HA SER A 55 0.115 -28.535 -4.851 1.00 0.00 H new ATOM 0 HB2 SER A 55 0.394 -30.971 -6.514 1.00 0.00 H new ATOM 0 HB3 SER A 55 -0.401 -29.646 -7.341 1.00 0.00 H new ATOM 0 HG SER A 55 1.907 -29.559 -7.558 1.00 0.00 H new ATOM 867 N ARG A 56 -2.156 -27.935 -5.832 1.00 0.00 N ATOM 868 CA ARG A 56 -3.536 -27.528 -6.071 1.00 0.00 C ATOM 869 C ARG A 56 -4.156 -28.347 -7.199 1.00 0.00 C ATOM 870 O ARG A 56 -5.377 -28.398 -7.344 1.00 0.00 O ATOM 871 CB ARG A 56 -3.599 -26.039 -6.414 1.00 0.00 C ATOM 872 CG ARG A 56 -5.013 -25.484 -6.464 1.00 0.00 C ATOM 873 CD ARG A 56 -5.295 -24.795 -7.790 1.00 0.00 C ATOM 874 NE ARG A 56 -6.721 -24.547 -7.986 1.00 0.00 N ATOM 875 CZ ARG A 56 -7.246 -24.154 -9.141 1.00 0.00 C ATOM 876 NH1 ARG A 56 -6.468 -23.965 -10.197 1.00 0.00 N ATOM 877 NH2 ARG A 56 -8.553 -23.949 -9.240 1.00 0.00 N ATOM 0 H ARG A 56 -1.464 -27.210 -6.020 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.105 -27.708 -5.159 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -3.025 -25.480 -5.675 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -3.120 -25.877 -7.380 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -5.728 -26.293 -6.314 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.156 -24.776 -5.647 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.754 -23.850 -7.829 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.919 -25.412 -8.606 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.348 -24.683 -7.193 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -5.463 -24.121 -10.124 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -6.875 -23.663 -11.082 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -9.155 -24.093 -8.429 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -8.956 -23.647 -10.127 1.00 0.00 H new ATOM 891 N ALA A 57 -3.306 -28.987 -7.996 1.00 0.00 N ATOM 892 CA ALA A 57 -3.770 -29.805 -9.109 1.00 0.00 C ATOM 893 C ALA A 57 -4.175 -31.197 -8.636 1.00 0.00 C ATOM 894 O ALA A 57 -4.917 -31.902 -9.319 1.00 0.00 O ATOM 895 CB ALA A 57 -2.692 -29.902 -10.179 1.00 0.00 C ATOM 0 H ALA A 57 -2.292 -28.954 -7.891 1.00 0.00 H new ATOM 0 HA ALA A 57 -4.650 -29.325 -9.538 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -3.053 -30.516 -11.004 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.453 -28.904 -10.547 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -1.797 -30.356 -9.754 1.00 0.00 H new ATOM 901 N GLU A 58 -3.682 -31.586 -7.464 1.00 0.00 N ATOM 902 CA GLU A 58 -3.993 -32.895 -6.902 1.00 0.00 C ATOM 903 C GLU A 58 -4.981 -32.770 -5.746 1.00 0.00 C ATOM 904 O GLU A 58 -5.507 -33.769 -5.254 1.00 0.00 O ATOM 905 CB GLU A 58 -2.714 -33.585 -6.422 1.00 0.00 C ATOM 906 CG GLU A 58 -1.848 -34.116 -7.552 1.00 0.00 C ATOM 907 CD GLU A 58 -1.167 -35.424 -7.199 1.00 0.00 C ATOM 908 OE1 GLU A 58 -1.842 -36.474 -7.234 1.00 0.00 O ATOM 909 OE2 GLU A 58 0.042 -35.397 -6.887 1.00 0.00 O ATOM 0 H GLU A 58 -3.066 -31.014 -6.886 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.451 -33.499 -7.685 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.131 -32.880 -5.830 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.982 -34.410 -5.762 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -2.463 -34.259 -8.440 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.091 -33.373 -7.805 1.00 0.00 H new ATOM 916 N VAL A 59 -5.229 -31.537 -5.318 1.00 0.00 N ATOM 917 CA VAL A 59 -6.154 -31.280 -4.221 1.00 0.00 C ATOM 918 C VAL A 59 -7.590 -31.591 -4.628 1.00 0.00 C ATOM 919 O VAL A 59 -8.437 -31.881 -3.783 1.00 0.00 O ATOM 920 CB VAL A 59 -6.072 -29.816 -3.748 1.00 0.00 C ATOM 921 CG1 VAL A 59 -6.663 -28.883 -4.795 1.00 0.00 C ATOM 922 CG2 VAL A 59 -6.780 -29.648 -2.412 1.00 0.00 C ATOM 0 H VAL A 59 -4.802 -30.700 -5.714 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.862 -31.936 -3.401 1.00 0.00 H new ATOM 0 HB VAL A 59 -5.023 -29.554 -3.613 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -6.597 -27.853 -4.444 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.108 -28.985 -5.728 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -7.708 -29.142 -4.964 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.712 -28.608 -2.093 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -7.828 -29.928 -2.518 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -6.307 -30.288 -1.667 1.00 0.00 H new ATOM 932 N MET A 60 -7.857 -31.530 -5.929 1.00 0.00 N ATOM 933 CA MET A 60 -9.191 -31.808 -6.449 1.00 0.00 C ATOM 934 C MET A 60 -9.312 -33.265 -6.885 1.00 0.00 C ATOM 935 O MET A 60 -9.974 -33.571 -7.876 1.00 0.00 O ATOM 936 CB MET A 60 -9.505 -30.883 -7.626 1.00 0.00 C ATOM 937 CG MET A 60 -8.454 -30.917 -8.723 1.00 0.00 C ATOM 938 SD MET A 60 -9.069 -30.282 -10.295 1.00 0.00 S ATOM 939 CE MET A 60 -9.351 -31.809 -11.189 1.00 0.00 C ATOM 0 H MET A 60 -7.168 -31.291 -6.642 1.00 0.00 H new ATOM 0 HA MET A 60 -9.911 -31.626 -5.651 1.00 0.00 H new ATOM 0 HB2 MET A 60 -10.470 -31.162 -8.050 1.00 0.00 H new ATOM 0 HB3 MET A 60 -9.602 -29.861 -7.259 1.00 0.00 H new ATOM 0 HG2 MET A 60 -7.590 -30.330 -8.411 1.00 0.00 H new ATOM 0 HG3 MET A 60 -8.110 -31.942 -8.859 1.00 0.00 H new ATOM 0 HE1 MET A 60 -9.734 -31.583 -12.184 1.00 0.00 H new ATOM 0 HE2 MET A 60 -8.413 -32.357 -11.277 1.00 0.00 H new ATOM 0 HE3 MET A 60 -10.078 -32.417 -10.650 1.00 0.00 H new ATOM 949 N GLN A 61 -8.667 -34.157 -6.140 1.00 0.00 N ATOM 950 CA GLN A 61 -8.703 -35.580 -6.452 1.00 0.00 C ATOM 951 C GLN A 61 -7.992 -36.392 -5.374 1.00 0.00 C ATOM 952 O GLN A 61 -7.218 -37.300 -5.676 1.00 0.00 O ATOM 953 CB GLN A 61 -8.056 -35.842 -7.813 1.00 0.00 C ATOM 954 CG GLN A 61 -8.377 -37.213 -8.385 1.00 0.00 C ATOM 955 CD GLN A 61 -8.422 -37.218 -9.901 1.00 0.00 C ATOM 956 OE1 GLN A 61 -9.490 -37.103 -10.503 1.00 0.00 O ATOM 957 NE2 GLN A 61 -7.258 -37.350 -10.527 1.00 0.00 N ATOM 0 H GLN A 61 -8.114 -33.919 -5.317 1.00 0.00 H new ATOM 0 HA GLN A 61 -9.747 -35.892 -6.487 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -8.386 -35.078 -8.516 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -6.975 -35.741 -7.718 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -7.628 -37.928 -8.045 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -9.338 -37.549 -7.996 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -6.397 -37.442 -9.988 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -7.225 -37.359 -11.546 1.00 0.00 H new ATOM 966 N ARG A 62 -8.259 -36.057 -4.115 1.00 0.00 N ATOM 967 CA ARG A 62 -7.643 -36.754 -2.993 1.00 0.00 C ATOM 968 C ARG A 62 -8.530 -37.898 -2.511 1.00 0.00 C ATOM 969 O ARG A 62 -9.751 -37.877 -2.663 1.00 0.00 O ATOM 970 CB ARG A 62 -7.380 -35.780 -1.843 1.00 0.00 C ATOM 971 CG ARG A 62 -6.497 -34.604 -2.230 1.00 0.00 C ATOM 972 CD ARG A 62 -5.122 -34.705 -1.588 1.00 0.00 C ATOM 973 NE ARG A 62 -4.566 -36.051 -1.695 1.00 0.00 N ATOM 974 CZ ARG A 62 -4.147 -36.585 -2.837 1.00 0.00 C ATOM 975 NH1 ARG A 62 -4.221 -35.890 -3.964 1.00 0.00 N ATOM 976 NH2 ARG A 62 -3.652 -37.816 -2.853 1.00 0.00 N ATOM 0 H ARG A 62 -8.897 -35.308 -3.847 1.00 0.00 H new ATOM 0 HA ARG A 62 -6.694 -37.170 -3.332 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -8.333 -35.402 -1.474 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -6.911 -36.320 -1.021 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -6.392 -34.568 -3.314 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -6.975 -33.673 -1.925 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -4.446 -33.995 -2.065 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -5.191 -34.424 -0.537 1.00 0.00 H new ATOM 0 HE ARG A 62 -4.495 -36.612 -0.846 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -4.600 -34.943 -3.955 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -3.899 -36.302 -4.840 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -3.593 -38.353 -1.988 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -3.331 -38.225 -3.730 1.00 0.00 H new ATOM 990 N PRO A 63 -7.902 -38.923 -1.915 1.00 0.00 N ATOM 991 CA PRO A 63 -8.614 -40.096 -1.399 1.00 0.00 C ATOM 992 C PRO A 63 -9.454 -39.769 -0.170 1.00 0.00 C ATOM 993 O PRO A 63 -8.988 -39.100 0.753 1.00 0.00 O ATOM 994 CB PRO A 63 -7.486 -41.064 -1.034 1.00 0.00 C ATOM 995 CG PRO A 63 -6.308 -40.191 -0.771 1.00 0.00 C ATOM 996 CD PRO A 63 -6.448 -39.016 -1.700 1.00 0.00 C ATOM 0 HA PRO A 63 -9.319 -40.497 -2.127 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -7.742 -41.658 -0.157 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -7.287 -41.764 -1.846 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -6.288 -39.866 0.269 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -5.377 -40.726 -0.956 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -6.048 -38.104 -1.257 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -5.913 -39.177 -2.636 1.00 0.00 H new ATOM 1004 N CYS A 64 -10.695 -40.245 -0.163 1.00 0.00 N ATOM 1005 CA CYS A 64 -11.600 -40.003 0.955 1.00 0.00 C ATOM 1006 C CYS A 64 -11.144 -40.758 2.198 1.00 0.00 C ATOM 1007 O CYS A 64 -11.438 -40.357 3.325 1.00 0.00 O ATOM 1008 CB CYS A 64 -13.024 -40.419 0.583 1.00 0.00 C ATOM 1009 SG CYS A 64 -13.169 -42.131 0.019 1.00 0.00 S ATOM 0 H CYS A 64 -11.097 -40.800 -0.918 1.00 0.00 H new ATOM 0 HA CYS A 64 -11.587 -38.936 1.177 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -13.671 -40.277 1.449 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -13.391 -39.757 -0.201 1.00 0.00 H new ATOM 0 HG CYS A 64 -12.462 -42.903 0.790 1.00 0.00 H new ATOM 1015 N THR A 65 -10.425 -41.856 1.987 1.00 0.00 N ATOM 1016 CA THR A 65 -9.931 -42.671 3.090 1.00 0.00 C ATOM 1017 C THR A 65 -8.504 -42.284 3.462 1.00 0.00 C ATOM 1018 O THR A 65 -7.867 -42.943 4.284 1.00 0.00 O ATOM 1019 CB THR A 65 -9.970 -44.171 2.742 1.00 0.00 C ATOM 1020 OG1 THR A 65 -11.186 -44.482 2.054 1.00 0.00 O ATOM 1021 CG2 THR A 65 -9.861 -45.020 4.000 1.00 0.00 C ATOM 0 H THR A 65 -10.172 -42.202 1.061 1.00 0.00 H new ATOM 0 HA THR A 65 -10.589 -42.486 3.939 1.00 0.00 H new ATOM 0 HB THR A 65 -9.121 -44.395 2.097 1.00 0.00 H new ATOM 0 HG1 THR A 65 -11.203 -45.437 1.835 1.00 0.00 H new ATOM 0 HG21 THR A 65 -9.891 -46.076 3.730 1.00 0.00 H new ATOM 0 HG22 THR A 65 -8.921 -44.801 4.506 1.00 0.00 H new ATOM 0 HG23 THR A 65 -10.693 -44.792 4.666 1.00 0.00 H new ATOM 1029 N CYS A 66 -8.009 -41.212 2.853 1.00 0.00 N ATOM 1030 CA CYS A 66 -6.656 -40.738 3.121 1.00 0.00 C ATOM 1031 C CYS A 66 -5.644 -41.871 2.982 1.00 0.00 C ATOM 1032 O CYS A 66 -4.648 -41.920 3.704 1.00 0.00 O ATOM 1033 CB CYS A 66 -6.573 -40.134 4.524 1.00 0.00 C ATOM 1034 SG CYS A 66 -7.766 -38.810 4.829 1.00 0.00 S ATOM 0 H CYS A 66 -8.524 -40.655 2.171 1.00 0.00 H new ATOM 0 HA CYS A 66 -6.416 -39.969 2.387 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -6.728 -40.925 5.258 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -5.567 -39.745 4.682 1.00 0.00 H new ATOM 0 HG CYS A 66 -7.746 -38.489 6.089 1.00 0.00 H new ATOM 1040 N ASP A 67 -5.909 -42.781 2.051 1.00 0.00 N ATOM 1041 CA ASP A 67 -5.022 -43.915 1.817 1.00 0.00 C ATOM 1042 C ASP A 67 -3.594 -43.444 1.561 1.00 0.00 C ATOM 1043 O ASP A 67 -2.636 -44.029 2.067 1.00 0.00 O ATOM 1044 CB ASP A 67 -5.520 -44.743 0.631 1.00 0.00 C ATOM 1045 CG ASP A 67 -4.520 -45.799 0.202 1.00 0.00 C ATOM 1046 OD1 ASP A 67 -4.191 -46.676 1.029 1.00 0.00 O ATOM 1047 OD2 ASP A 67 -4.068 -45.750 -0.961 1.00 0.00 O ATOM 0 H ASP A 67 -6.730 -42.756 1.446 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.025 -44.538 2.712 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -6.461 -45.225 0.897 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -5.728 -44.081 -0.209 1.00 0.00 H new ATOM 1052 N PHE A 68 -3.458 -42.385 0.771 1.00 0.00 N ATOM 1053 CA PHE A 68 -2.147 -41.836 0.445 1.00 0.00 C ATOM 1054 C PHE A 68 -1.402 -41.421 1.711 1.00 0.00 C ATOM 1055 O PHE A 68 -0.193 -41.187 1.685 1.00 0.00 O ATOM 1056 CB PHE A 68 -2.291 -40.636 -0.492 1.00 0.00 C ATOM 1057 CG PHE A 68 -2.665 -39.365 0.214 1.00 0.00 C ATOM 1058 CD1 PHE A 68 -3.792 -39.309 1.018 1.00 0.00 C ATOM 1059 CD2 PHE A 68 -1.889 -38.225 0.075 1.00 0.00 C ATOM 1060 CE1 PHE A 68 -4.139 -38.141 1.670 1.00 0.00 C ATOM 1061 CE2 PHE A 68 -2.231 -37.054 0.725 1.00 0.00 C ATOM 1062 CZ PHE A 68 -3.358 -37.011 1.522 1.00 0.00 C ATOM 0 H PHE A 68 -4.240 -41.889 0.344 1.00 0.00 H new ATOM 0 HA PHE A 68 -1.570 -42.612 -0.058 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.351 -40.484 -1.022 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -3.048 -40.861 -1.243 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -4.407 -40.189 1.137 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -1.007 -38.252 -0.548 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -5.020 -38.112 2.294 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -1.617 -36.173 0.610 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.628 -36.096 2.028 1.00 0.00 H new ATOM 1072 N LEU A 69 -2.132 -41.331 2.817 1.00 0.00 N ATOM 1073 CA LEU A 69 -1.541 -40.943 4.093 1.00 0.00 C ATOM 1074 C LEU A 69 -1.406 -42.148 5.019 1.00 0.00 C ATOM 1075 O LEU A 69 -0.669 -42.107 6.005 1.00 0.00 O ATOM 1076 CB LEU A 69 -2.392 -39.864 4.764 1.00 0.00 C ATOM 1077 CG LEU A 69 -2.095 -38.422 4.351 1.00 0.00 C ATOM 1078 CD1 LEU A 69 -3.210 -37.495 4.809 1.00 0.00 C ATOM 1079 CD2 LEU A 69 -0.757 -37.970 4.917 1.00 0.00 C ATOM 0 H LEU A 69 -3.133 -41.521 2.856 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.546 -40.544 3.898 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.441 -40.073 4.552 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.262 -39.946 5.843 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.040 -38.380 3.263 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.981 -36.473 4.506 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.151 -37.806 4.355 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.298 -37.541 5.894 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.562 -36.942 4.613 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.784 -38.028 6.005 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.035 -38.616 4.539 1.00 0.00 H new ATOM 1091 N HIS A 70 -2.120 -43.221 4.694 1.00 0.00 N ATOM 1092 CA HIS A 70 -2.077 -44.439 5.494 1.00 0.00 C ATOM 1093 C HIS A 70 -0.861 -45.286 5.131 1.00 0.00 C ATOM 1094 O HIS A 70 -0.420 -45.296 3.983 1.00 0.00 O ATOM 1095 CB HIS A 70 -3.357 -45.252 5.293 1.00 0.00 C ATOM 1096 CG HIS A 70 -3.273 -46.646 5.836 1.00 0.00 C ATOM 1097 ND1 HIS A 70 -3.843 -47.023 7.033 1.00 0.00 N ATOM 1098 CD2 HIS A 70 -2.682 -47.756 5.335 1.00 0.00 C ATOM 1099 CE1 HIS A 70 -3.605 -48.305 7.247 1.00 0.00 C ATOM 1100 NE2 HIS A 70 -2.902 -48.773 6.231 1.00 0.00 N ATOM 0 H HIS A 70 -2.735 -43.271 3.882 1.00 0.00 H new ATOM 0 HA HIS A 70 -1.998 -44.152 6.543 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -4.186 -44.733 5.774 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -3.584 -45.299 4.228 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -2.139 -47.828 4.404 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -3.930 -48.873 8.106 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -2.576 -49.734 6.129 1.00 0.00 H new ATOM 1108 N GLY A 71 -0.322 -45.994 6.119 1.00 0.00 N ATOM 1109 CA GLY A 71 0.839 -46.832 5.884 1.00 0.00 C ATOM 1110 C GLY A 71 0.663 -48.234 6.434 1.00 0.00 C ATOM 1111 O GLY A 71 -0.347 -48.556 7.060 1.00 0.00 O ATOM 0 H GLY A 71 -0.669 -46.002 7.078 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.033 -46.887 4.813 1.00 0.00 H new ATOM 0 HA3 GLY A 71 1.714 -46.372 6.343 1.00 0.00 H new ATOM 1115 N PRO A 72 1.663 -49.096 6.198 1.00 0.00 N ATOM 1116 CA PRO A 72 1.637 -50.485 6.666 1.00 0.00 C ATOM 1117 C PRO A 72 1.773 -50.590 8.181 1.00 0.00 C ATOM 1118 O PRO A 72 1.753 -51.686 8.741 1.00 0.00 O ATOM 1119 CB PRO A 72 2.850 -51.114 5.975 1.00 0.00 C ATOM 1120 CG PRO A 72 3.774 -49.974 5.719 1.00 0.00 C ATOM 1121 CD PRO A 72 2.897 -48.781 5.458 1.00 0.00 C ATOM 0 HA PRO A 72 0.693 -50.976 6.432 1.00 0.00 H new ATOM 0 HB2 PRO A 72 3.318 -51.869 6.607 1.00 0.00 H new ATOM 0 HB3 PRO A 72 2.564 -51.608 5.046 1.00 0.00 H new ATOM 0 HG2 PRO A 72 4.425 -49.800 6.575 1.00 0.00 H new ATOM 0 HG3 PRO A 72 4.419 -50.179 4.864 1.00 0.00 H new ATOM 0 HD2 PRO A 72 3.356 -47.859 5.816 1.00 0.00 H new ATOM 0 HD3 PRO A 72 2.704 -48.649 4.393 1.00 0.00 H new ATOM 1129 N ARG A 73 1.911 -49.443 8.839 1.00 0.00 N ATOM 1130 CA ARG A 73 2.050 -49.407 10.289 1.00 0.00 C ATOM 1131 C ARG A 73 0.794 -48.837 10.942 1.00 0.00 C ATOM 1132 O ARG A 73 0.587 -48.982 12.148 1.00 0.00 O ATOM 1133 CB ARG A 73 3.268 -48.570 10.685 1.00 0.00 C ATOM 1134 CG ARG A 73 4.215 -49.283 11.636 1.00 0.00 C ATOM 1135 CD ARG A 73 5.287 -48.343 12.164 1.00 0.00 C ATOM 1136 NE ARG A 73 4.716 -47.220 12.902 1.00 0.00 N ATOM 1137 CZ ARG A 73 5.447 -46.274 13.482 1.00 0.00 C ATOM 1138 NH1 ARG A 73 6.770 -46.316 13.410 1.00 0.00 N ATOM 1139 NH2 ARG A 73 4.854 -45.284 14.136 1.00 0.00 N ATOM 0 H ARG A 73 1.929 -48.527 8.390 1.00 0.00 H new ATOM 0 HA ARG A 73 2.190 -50.429 10.641 1.00 0.00 H new ATOM 0 HB2 ARG A 73 3.814 -48.290 9.784 1.00 0.00 H new ATOM 0 HB3 ARG A 73 2.927 -47.646 11.151 1.00 0.00 H new ATOM 0 HG2 ARG A 73 3.650 -49.698 12.471 1.00 0.00 H new ATOM 0 HG3 ARG A 73 4.686 -50.121 11.122 1.00 0.00 H new ATOM 0 HD2 ARG A 73 5.966 -48.896 12.814 1.00 0.00 H new ATOM 0 HD3 ARG A 73 5.880 -47.965 11.331 1.00 0.00 H new ATOM 0 HE ARG A 73 3.701 -47.158 12.976 1.00 0.00 H new ATOM 0 HH11 ARG A 73 7.230 -47.076 12.908 1.00 0.00 H new ATOM 0 HH12 ARG A 73 7.328 -45.588 13.856 1.00 0.00 H new ATOM 0 HH21 ARG A 73 3.836 -45.249 14.194 1.00 0.00 H new ATOM 0 HH22 ARG A 73 5.416 -44.558 14.581 1.00 0.00 H new ATOM 1153 N THR A 74 -0.042 -48.187 10.138 1.00 0.00 N ATOM 1154 CA THR A 74 -1.276 -47.594 10.637 1.00 0.00 C ATOM 1155 C THR A 74 -2.328 -48.663 10.910 1.00 0.00 C ATOM 1156 O THR A 74 -2.420 -49.655 10.187 1.00 0.00 O ATOM 1157 CB THR A 74 -1.849 -46.568 9.641 1.00 0.00 C ATOM 1158 OG1 THR A 74 -0.950 -45.462 9.506 1.00 0.00 O ATOM 1159 CG2 THR A 74 -3.210 -46.068 10.102 1.00 0.00 C ATOM 0 H THR A 74 0.114 -48.058 9.138 1.00 0.00 H new ATOM 0 HA THR A 74 -1.028 -47.085 11.569 1.00 0.00 H new ATOM 0 HB THR A 74 -1.968 -47.059 8.675 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.451 -44.623 9.577 1.00 0.00 H new ATOM 0 HG21 THR A 74 -3.595 -45.345 9.383 1.00 0.00 H new ATOM 0 HG22 THR A 74 -3.900 -46.908 10.176 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.111 -45.592 11.078 1.00 0.00 H new ATOM 1167 N GLN A 75 -3.120 -48.453 11.956 1.00 0.00 N ATOM 1168 CA GLN A 75 -4.167 -49.400 12.324 1.00 0.00 C ATOM 1169 C GLN A 75 -5.055 -49.721 11.126 1.00 0.00 C ATOM 1170 O GLN A 75 -5.265 -48.879 10.253 1.00 0.00 O ATOM 1171 CB GLN A 75 -5.014 -48.838 13.466 1.00 0.00 C ATOM 1172 CG GLN A 75 -4.232 -48.611 14.750 1.00 0.00 C ATOM 1173 CD GLN A 75 -3.263 -49.738 15.049 1.00 0.00 C ATOM 1174 OE1 GLN A 75 -3.666 -50.822 15.474 1.00 0.00 O ATOM 1175 NE2 GLN A 75 -1.978 -49.489 14.829 1.00 0.00 N ATOM 0 H GLN A 75 -3.057 -47.636 12.564 1.00 0.00 H new ATOM 0 HA GLN A 75 -3.689 -50.321 12.656 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -5.456 -47.894 13.148 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -5.837 -49.524 13.668 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -3.681 -47.673 14.675 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -4.929 -48.505 15.582 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -1.688 -48.577 14.476 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -1.280 -50.210 15.012 1.00 0.00 H new ATOM 1184 N ARG A 76 -5.575 -50.944 11.092 1.00 0.00 N ATOM 1185 CA ARG A 76 -6.439 -51.376 10.001 1.00 0.00 C ATOM 1186 C ARG A 76 -7.872 -50.901 10.221 1.00 0.00 C ATOM 1187 O ARG A 76 -8.595 -50.613 9.268 1.00 0.00 O ATOM 1188 CB ARG A 76 -6.410 -52.900 9.872 1.00 0.00 C ATOM 1189 CG ARG A 76 -6.300 -53.388 8.436 1.00 0.00 C ATOM 1190 CD ARG A 76 -7.351 -54.441 8.124 1.00 0.00 C ATOM 1191 NE ARG A 76 -6.974 -55.269 6.981 1.00 0.00 N ATOM 1192 CZ ARG A 76 -7.808 -56.102 6.370 1.00 0.00 C ATOM 1193 NH1 ARG A 76 -9.060 -56.218 6.790 1.00 0.00 N ATOM 1194 NH2 ARG A 76 -7.391 -56.821 5.336 1.00 0.00 N ATOM 0 H ARG A 76 -5.413 -51.653 11.808 1.00 0.00 H new ATOM 0 HA ARG A 76 -6.065 -50.933 9.078 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -5.568 -53.289 10.444 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -7.315 -53.311 10.318 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -6.414 -52.545 7.754 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -5.306 -53.803 8.267 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -7.499 -55.075 8.998 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -8.304 -53.953 7.919 1.00 0.00 H new ATOM 0 HE ARG A 76 -6.017 -55.204 6.633 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -9.385 -55.667 7.584 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -9.699 -56.859 6.319 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -6.429 -56.734 5.009 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -8.033 -57.461 4.868 1.00 0.00 H new ATOM 1208 N ARG A 77 -8.276 -50.823 11.485 1.00 0.00 N ATOM 1209 CA ARG A 77 -9.623 -50.385 11.831 1.00 0.00 C ATOM 1210 C ARG A 77 -9.956 -49.061 11.151 1.00 0.00 C ATOM 1211 O ARG A 77 -11.121 -48.755 10.901 1.00 0.00 O ATOM 1212 CB ARG A 77 -9.762 -50.241 13.348 1.00 0.00 C ATOM 1213 CG ARG A 77 -8.939 -49.103 13.929 1.00 0.00 C ATOM 1214 CD ARG A 77 -9.233 -48.901 15.407 1.00 0.00 C ATOM 1215 NE ARG A 77 -8.189 -48.125 16.072 1.00 0.00 N ATOM 1216 CZ ARG A 77 -8.044 -48.067 17.391 1.00 0.00 C ATOM 1217 NH1 ARG A 77 -8.871 -48.737 18.182 1.00 0.00 N ATOM 1218 NH2 ARG A 77 -7.070 -47.339 17.921 1.00 0.00 N ATOM 0 H ARG A 77 -7.690 -51.057 12.286 1.00 0.00 H new ATOM 0 HA ARG A 77 -10.325 -51.141 11.479 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -10.812 -50.082 13.595 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -9.461 -51.175 13.822 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -7.878 -49.314 13.793 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -9.153 -48.183 13.385 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -10.190 -48.392 15.520 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -9.329 -49.872 15.894 1.00 0.00 H new ATOM 0 HE ARG A 77 -7.536 -47.599 15.492 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -9.620 -49.298 17.778 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -8.758 -48.691 19.195 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -6.432 -46.823 17.315 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -6.960 -47.295 18.934 1.00 0.00 H new ATOM 1232 N ALA A 78 -8.923 -48.278 10.854 1.00 0.00 N ATOM 1233 CA ALA A 78 -9.106 -46.987 10.202 1.00 0.00 C ATOM 1234 C ALA A 78 -9.657 -47.159 8.791 1.00 0.00 C ATOM 1235 O ALA A 78 -10.687 -46.582 8.442 1.00 0.00 O ATOM 1236 CB ALA A 78 -7.791 -46.223 10.168 1.00 0.00 C ATOM 0 H ALA A 78 -7.952 -48.515 11.055 1.00 0.00 H new ATOM 0 HA ALA A 78 -9.831 -46.414 10.780 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -7.942 -45.261 9.678 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.438 -46.061 11.186 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.050 -46.799 9.615 1.00 0.00 H new ATOM 1242 N ALA A 79 -8.964 -47.954 7.982 1.00 0.00 N ATOM 1243 CA ALA A 79 -9.385 -48.202 6.609 1.00 0.00 C ATOM 1244 C ALA A 79 -10.753 -48.875 6.568 1.00 0.00 C ATOM 1245 O ALA A 79 -11.577 -48.575 5.705 1.00 0.00 O ATOM 1246 CB ALA A 79 -8.353 -49.054 5.886 1.00 0.00 C ATOM 0 H ALA A 79 -8.108 -48.437 8.254 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.466 -47.241 6.101 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -8.681 -49.231 4.862 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -7.395 -48.534 5.876 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -8.243 -50.008 6.402 1.00 0.00 H new ATOM 1252 N ALA A 80 -10.987 -49.788 7.505 1.00 0.00 N ATOM 1253 CA ALA A 80 -12.255 -50.502 7.576 1.00 0.00 C ATOM 1254 C ALA A 80 -13.393 -49.564 7.963 1.00 0.00 C ATOM 1255 O ALA A 80 -14.420 -49.509 7.288 1.00 0.00 O ATOM 1256 CB ALA A 80 -12.157 -51.654 8.566 1.00 0.00 C ATOM 0 H ALA A 80 -10.314 -50.050 8.226 1.00 0.00 H new ATOM 0 HA ALA A 80 -12.473 -50.905 6.587 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -13.111 -52.179 8.609 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -11.377 -52.345 8.245 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -11.912 -51.265 9.554 1.00 0.00 H new ATOM 1262 N GLN A 81 -13.203 -48.829 9.054 1.00 0.00 N ATOM 1263 CA GLN A 81 -14.215 -47.894 9.531 1.00 0.00 C ATOM 1264 C GLN A 81 -14.599 -46.903 8.437 1.00 0.00 C ATOM 1265 O GLN A 81 -15.779 -46.615 8.233 1.00 0.00 O ATOM 1266 CB GLN A 81 -13.706 -47.143 10.762 1.00 0.00 C ATOM 1267 CG GLN A 81 -13.858 -47.923 12.058 1.00 0.00 C ATOM 1268 CD GLN A 81 -14.079 -49.404 11.824 1.00 0.00 C ATOM 1269 OE1 GLN A 81 -15.340 -49.821 11.818 1.00 0.00 O flip ATOM 1270 NE2 GLN A 81 -13.127 -50.166 11.652 1.00 0.00 N flip ATOM 0 H GLN A 81 -12.358 -48.863 9.624 1.00 0.00 H new ATOM 0 HA GLN A 81 -15.102 -48.466 9.805 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -12.654 -46.897 10.617 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -14.245 -46.200 10.850 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -12.965 -47.784 12.668 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -14.697 -47.519 12.625 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -12.174 -49.802 11.664 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -13.291 -51.161 11.497 1.00 0.00 H new ATOM 1279 N ILE A 82 -13.596 -46.384 7.738 1.00 0.00 N ATOM 1280 CA ILE A 82 -13.829 -45.425 6.665 1.00 0.00 C ATOM 1281 C ILE A 82 -14.584 -46.069 5.507 1.00 0.00 C ATOM 1282 O ILE A 82 -15.492 -45.468 4.934 1.00 0.00 O ATOM 1283 CB ILE A 82 -12.506 -44.838 6.138 1.00 0.00 C ATOM 1284 CG1 ILE A 82 -11.829 -43.996 7.221 1.00 0.00 C ATOM 1285 CG2 ILE A 82 -12.758 -44.003 4.890 1.00 0.00 C ATOM 1286 CD1 ILE A 82 -12.559 -42.707 7.528 1.00 0.00 C ATOM 0 H ILE A 82 -12.614 -46.611 7.895 1.00 0.00 H new ATOM 0 HA ILE A 82 -14.432 -44.620 7.086 1.00 0.00 H new ATOM 0 HB ILE A 82 -11.840 -45.660 5.874 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -11.752 -44.587 8.134 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -10.812 -43.762 6.906 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -11.814 -43.595 4.529 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -13.202 -44.630 4.116 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -13.439 -43.186 5.130 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -12.023 -42.161 8.304 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -12.613 -42.096 6.627 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -13.567 -42.934 7.874 1.00 0.00 H new ATOM 1298 N ALA A 83 -14.202 -47.296 5.168 1.00 0.00 N ATOM 1299 CA ALA A 83 -14.845 -48.024 4.081 1.00 0.00 C ATOM 1300 C ALA A 83 -16.301 -48.331 4.413 1.00 0.00 C ATOM 1301 O ALA A 83 -17.196 -48.086 3.603 1.00 0.00 O ATOM 1302 CB ALA A 83 -14.086 -49.309 3.785 1.00 0.00 C ATOM 0 H ALA A 83 -13.450 -47.807 5.631 1.00 0.00 H new ATOM 0 HA ALA A 83 -14.828 -47.393 3.193 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -14.577 -49.843 2.971 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -13.063 -49.069 3.496 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -14.073 -49.938 4.675 1.00 0.00 H new ATOM 1308 N GLN A 84 -16.531 -48.869 5.606 1.00 0.00 N ATOM 1309 CA GLN A 84 -17.880 -49.212 6.042 1.00 0.00 C ATOM 1310 C GLN A 84 -18.719 -47.956 6.250 1.00 0.00 C ATOM 1311 O GLN A 84 -19.900 -47.922 5.903 1.00 0.00 O ATOM 1312 CB GLN A 84 -17.828 -50.026 7.336 1.00 0.00 C ATOM 1313 CG GLN A 84 -19.166 -50.114 8.053 1.00 0.00 C ATOM 1314 CD GLN A 84 -20.312 -50.431 7.112 1.00 0.00 C ATOM 1315 OE1 GLN A 84 -21.389 -49.840 7.206 1.00 0.00 O ATOM 1316 NE2 GLN A 84 -20.086 -51.366 6.197 1.00 0.00 N ATOM 0 H GLN A 84 -15.801 -49.077 6.288 1.00 0.00 H new ATOM 0 HA GLN A 84 -18.346 -49.813 5.262 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -17.480 -51.034 7.108 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -17.094 -49.580 8.007 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -19.111 -50.882 8.824 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -19.366 -49.169 8.558 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -19.179 -51.830 6.155 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -20.820 -51.620 5.536 1.00 0.00 H new ATOM 1325 N ALA A 85 -18.103 -46.925 6.820 1.00 0.00 N ATOM 1326 CA ALA A 85 -18.793 -45.667 7.073 1.00 0.00 C ATOM 1327 C ALA A 85 -19.154 -44.966 5.767 1.00 0.00 C ATOM 1328 O ALA A 85 -20.174 -44.281 5.679 1.00 0.00 O ATOM 1329 CB ALA A 85 -17.935 -44.759 7.941 1.00 0.00 C ATOM 0 H ALA A 85 -17.127 -46.937 7.115 1.00 0.00 H new ATOM 0 HA ALA A 85 -19.719 -45.890 7.604 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -18.463 -43.823 8.122 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -17.732 -45.251 8.892 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -16.994 -44.552 7.432 1.00 0.00 H new ATOM 1335 N LEU A 86 -18.312 -45.142 4.755 1.00 0.00 N ATOM 1336 CA LEU A 86 -18.542 -44.526 3.452 1.00 0.00 C ATOM 1337 C LEU A 86 -19.626 -45.272 2.681 1.00 0.00 C ATOM 1338 O LEU A 86 -20.448 -44.662 1.997 1.00 0.00 O ATOM 1339 CB LEU A 86 -17.246 -44.503 2.641 1.00 0.00 C ATOM 1340 CG LEU A 86 -17.240 -43.596 1.410 1.00 0.00 C ATOM 1341 CD1 LEU A 86 -16.180 -42.515 1.548 1.00 0.00 C ATOM 1342 CD2 LEU A 86 -17.011 -44.413 0.146 1.00 0.00 C ATOM 0 H LEU A 86 -17.464 -45.706 4.811 1.00 0.00 H new ATOM 0 HA LEU A 86 -18.878 -43.502 3.616 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -16.434 -44.193 3.299 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -17.025 -45.520 2.319 1.00 0.00 H new ATOM 0 HG LEU A 86 -18.214 -43.113 1.334 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -16.191 -41.880 0.662 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -16.389 -41.911 2.431 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -15.199 -42.979 1.650 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -17.010 -43.751 -0.720 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -16.051 -44.925 0.213 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -17.808 -45.149 0.039 1.00 0.00 H new ATOM 1354 N LEU A 87 -19.622 -46.596 2.797 1.00 0.00 N ATOM 1355 CA LEU A 87 -20.607 -47.426 2.112 1.00 0.00 C ATOM 1356 C LEU A 87 -22.025 -47.037 2.518 1.00 0.00 C ATOM 1357 O LEU A 87 -22.959 -47.138 1.724 1.00 0.00 O ATOM 1358 CB LEU A 87 -20.363 -48.904 2.425 1.00 0.00 C ATOM 1359 CG LEU A 87 -21.264 -49.902 1.697 1.00 0.00 C ATOM 1360 CD1 LEU A 87 -20.428 -50.953 0.983 1.00 0.00 C ATOM 1361 CD2 LEU A 87 -22.230 -50.558 2.673 1.00 0.00 C ATOM 0 H LEU A 87 -18.948 -47.117 3.358 1.00 0.00 H new ATOM 0 HA LEU A 87 -20.499 -47.264 1.040 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -19.326 -49.139 2.185 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -20.483 -49.052 3.498 1.00 0.00 H new ATOM 0 HG LEU A 87 -21.845 -49.361 0.950 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -21.086 -51.655 0.470 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -19.778 -50.468 0.255 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -19.820 -51.491 1.711 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -22.864 -51.265 2.138 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -21.667 -51.086 3.443 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -22.852 -49.794 3.138 1.00 0.00 H new ATOM 1373 N GLY A 88 -22.177 -46.589 3.761 1.00 0.00 N ATOM 1374 CA GLY A 88 -23.484 -46.188 4.250 1.00 0.00 C ATOM 1375 C GLY A 88 -23.627 -44.683 4.358 1.00 0.00 C ATOM 1376 O GLY A 88 -24.735 -44.166 4.490 1.00 0.00 O ATOM 0 H GLY A 88 -21.419 -46.497 4.437 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -24.253 -46.576 3.582 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -23.656 -46.637 5.228 1.00 0.00 H new ATOM 1380 N ALA A 89 -22.501 -43.978 4.302 1.00 0.00 N ATOM 1381 CA ALA A 89 -22.506 -42.524 4.394 1.00 0.00 C ATOM 1382 C ALA A 89 -23.243 -42.055 5.644 1.00 0.00 C ATOM 1383 O ALA A 89 -24.020 -41.102 5.596 1.00 0.00 O ATOM 1384 CB ALA A 89 -23.136 -41.918 3.149 1.00 0.00 C ATOM 0 H ALA A 89 -21.575 -44.391 4.193 1.00 0.00 H new ATOM 0 HA ALA A 89 -21.472 -42.186 4.466 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -23.133 -40.831 3.232 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -22.565 -42.217 2.270 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -24.163 -42.271 3.052 1.00 0.00 H new ATOM 1390 N GLU A 90 -22.995 -42.732 6.761 1.00 0.00 N ATOM 1391 CA GLU A 90 -23.637 -42.384 8.023 1.00 0.00 C ATOM 1392 C GLU A 90 -22.657 -41.679 8.956 1.00 0.00 C ATOM 1393 O GLU A 90 -21.443 -41.837 8.832 1.00 0.00 O ATOM 1394 CB GLU A 90 -24.191 -43.639 8.701 1.00 0.00 C ATOM 1395 CG GLU A 90 -24.873 -43.361 10.030 1.00 0.00 C ATOM 1396 CD GLU A 90 -25.461 -44.611 10.656 1.00 0.00 C ATOM 1397 OE1 GLU A 90 -24.711 -45.594 10.834 1.00 0.00 O ATOM 1398 OE2 GLU A 90 -26.670 -44.607 10.968 1.00 0.00 O ATOM 0 H GLU A 90 -22.355 -43.524 6.817 1.00 0.00 H new ATOM 0 HA GLU A 90 -24.460 -41.703 7.807 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -24.903 -44.120 8.030 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -23.376 -44.345 8.861 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -24.153 -42.919 10.718 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -25.665 -42.627 9.881 1.00 0.00 H new ATOM 1405 N GLU A 91 -23.195 -40.900 9.890 1.00 0.00 N ATOM 1406 CA GLU A 91 -22.368 -40.169 10.843 1.00 0.00 C ATOM 1407 C GLU A 91 -21.474 -41.122 11.631 1.00 0.00 C ATOM 1408 O GLU A 91 -21.933 -41.803 12.548 1.00 0.00 O ATOM 1409 CB GLU A 91 -23.247 -39.365 11.803 1.00 0.00 C ATOM 1410 CG GLU A 91 -24.292 -40.203 12.519 1.00 0.00 C ATOM 1411 CD GLU A 91 -25.692 -39.641 12.371 1.00 0.00 C ATOM 1412 OE1 GLU A 91 -25.915 -38.485 12.786 1.00 0.00 O ATOM 1413 OE2 GLU A 91 -26.566 -40.359 11.839 1.00 0.00 O ATOM 0 H GLU A 91 -24.198 -40.759 10.007 1.00 0.00 H new ATOM 0 HA GLU A 91 -21.733 -39.483 10.283 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -22.612 -38.881 12.545 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -23.748 -38.573 11.246 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -24.269 -41.219 12.126 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -24.040 -40.265 13.578 1.00 0.00 H new ATOM 1420 N ARG A 92 -20.197 -41.165 11.266 1.00 0.00 N ATOM 1421 CA ARG A 92 -19.239 -42.035 11.937 1.00 0.00 C ATOM 1422 C ARG A 92 -17.834 -41.446 11.877 1.00 0.00 C ATOM 1423 O ARG A 92 -17.408 -40.930 10.843 1.00 0.00 O ATOM 1424 CB ARG A 92 -19.248 -43.426 11.300 1.00 0.00 C ATOM 1425 CG ARG A 92 -18.032 -44.266 11.654 1.00 0.00 C ATOM 1426 CD ARG A 92 -17.932 -44.496 13.154 1.00 0.00 C ATOM 1427 NE ARG A 92 -17.694 -45.900 13.478 1.00 0.00 N ATOM 1428 CZ ARG A 92 -17.526 -46.351 14.716 1.00 0.00 C ATOM 1429 NH1 ARG A 92 -17.570 -45.512 15.742 1.00 0.00 N ATOM 1430 NH2 ARG A 92 -17.314 -47.643 14.930 1.00 0.00 N ATOM 0 H ARG A 92 -19.802 -40.607 10.509 1.00 0.00 H new ATOM 0 HA ARG A 92 -19.534 -42.119 12.983 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -20.148 -43.954 11.614 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -19.303 -43.320 10.217 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -18.089 -45.226 11.141 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -17.129 -43.769 11.300 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -17.124 -43.888 13.561 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -18.853 -44.164 13.634 1.00 0.00 H new ATOM 0 HE ARG A 92 -17.655 -46.571 12.711 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -17.733 -44.518 15.581 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -17.441 -45.861 16.692 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -17.280 -48.291 14.143 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -17.185 -47.988 15.881 1.00 0.00 H new ATOM 1444 N LYS A 93 -17.116 -41.524 12.993 1.00 0.00 N ATOM 1445 CA LYS A 93 -15.758 -41.000 13.069 1.00 0.00 C ATOM 1446 C LYS A 93 -14.769 -42.101 13.437 1.00 0.00 C ATOM 1447 O LYS A 93 -15.097 -43.016 14.192 1.00 0.00 O ATOM 1448 CB LYS A 93 -15.683 -39.868 14.096 1.00 0.00 C ATOM 1449 CG LYS A 93 -15.499 -40.354 15.524 1.00 0.00 C ATOM 1450 CD LYS A 93 -15.723 -39.234 16.527 1.00 0.00 C ATOM 1451 CE LYS A 93 -16.972 -39.474 17.360 1.00 0.00 C ATOM 1452 NZ LYS A 93 -16.649 -40.071 18.685 1.00 0.00 N ATOM 0 H LYS A 93 -17.453 -41.946 13.858 1.00 0.00 H new ATOM 0 HA LYS A 93 -15.491 -40.610 12.087 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -14.856 -39.207 13.836 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -16.595 -39.275 14.038 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -16.195 -41.168 15.725 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -14.494 -40.757 15.646 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -14.857 -39.153 17.183 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -15.813 -38.284 16.000 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -17.498 -38.531 17.505 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -17.648 -40.136 16.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -17.527 -40.219 19.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -16.169 -40.983 18.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -16.025 -39.428 19.213 1.00 0.00 H new ATOM 1466 N VAL A 94 -13.557 -42.006 12.899 1.00 0.00 N ATOM 1467 CA VAL A 94 -12.519 -42.993 13.174 1.00 0.00 C ATOM 1468 C VAL A 94 -11.146 -42.337 13.258 1.00 0.00 C ATOM 1469 O VAL A 94 -10.857 -41.384 12.535 1.00 0.00 O ATOM 1470 CB VAL A 94 -12.487 -44.089 12.092 1.00 0.00 C ATOM 1471 CG1 VAL A 94 -12.335 -43.472 10.710 1.00 0.00 C ATOM 1472 CG2 VAL A 94 -11.366 -45.078 12.370 1.00 0.00 C ATOM 0 H VAL A 94 -13.270 -41.256 12.270 1.00 0.00 H new ATOM 0 HA VAL A 94 -12.760 -43.448 14.135 1.00 0.00 H new ATOM 0 HB VAL A 94 -13.433 -44.630 12.119 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -12.314 -44.262 9.959 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -13.176 -42.807 10.514 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -11.405 -42.904 10.665 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -11.358 -45.846 11.596 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -10.410 -44.554 12.371 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -11.525 -45.545 13.342 1.00 0.00 H new ATOM 1482 N GLU A 95 -10.302 -42.855 14.145 1.00 0.00 N ATOM 1483 CA GLU A 95 -8.958 -42.318 14.323 1.00 0.00 C ATOM 1484 C GLU A 95 -7.949 -43.082 13.469 1.00 0.00 C ATOM 1485 O GLU A 95 -7.973 -44.312 13.413 1.00 0.00 O ATOM 1486 CB GLU A 95 -8.549 -42.385 15.796 1.00 0.00 C ATOM 1487 CG GLU A 95 -8.370 -43.802 16.314 1.00 0.00 C ATOM 1488 CD GLU A 95 -8.454 -43.885 17.826 1.00 0.00 C ATOM 1489 OE1 GLU A 95 -7.404 -43.740 18.487 1.00 0.00 O ATOM 1490 OE2 GLU A 95 -9.568 -44.096 18.348 1.00 0.00 O ATOM 0 H GLU A 95 -10.525 -43.645 14.751 1.00 0.00 H new ATOM 0 HA GLU A 95 -8.965 -41.276 14.002 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -7.616 -41.837 15.931 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -9.305 -41.880 16.398 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -9.134 -44.444 15.876 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -7.404 -44.186 15.986 1.00 0.00 H new ATOM 1497 N ILE A 96 -7.066 -42.344 12.806 1.00 0.00 N ATOM 1498 CA ILE A 96 -6.049 -42.951 11.956 1.00 0.00 C ATOM 1499 C ILE A 96 -4.696 -42.274 12.148 1.00 0.00 C ATOM 1500 O ILE A 96 -4.616 -41.157 12.658 1.00 0.00 O ATOM 1501 CB ILE A 96 -6.441 -42.876 10.468 1.00 0.00 C ATOM 1502 CG1 ILE A 96 -7.949 -43.078 10.305 1.00 0.00 C ATOM 1503 CG2 ILE A 96 -5.672 -43.913 9.665 1.00 0.00 C ATOM 1504 CD1 ILE A 96 -8.740 -41.790 10.350 1.00 0.00 C ATOM 0 H ILE A 96 -7.034 -41.325 12.841 1.00 0.00 H new ATOM 0 HA ILE A 96 -5.974 -43.997 12.252 1.00 0.00 H new ATOM 0 HB ILE A 96 -6.183 -41.887 10.088 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -8.140 -43.579 9.356 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -8.306 -43.742 11.093 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -5.960 -43.847 8.616 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -4.602 -43.727 9.760 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -5.902 -44.909 10.043 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -9.801 -42.010 10.228 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -8.579 -41.298 11.309 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -8.411 -41.133 9.545 1.00 0.00 H new ATOM 1516 N ALA A 97 -3.635 -42.958 11.734 1.00 0.00 N ATOM 1517 CA ALA A 97 -2.285 -42.422 11.857 1.00 0.00 C ATOM 1518 C ALA A 97 -1.742 -41.985 10.500 1.00 0.00 C ATOM 1519 O ALA A 97 -1.504 -42.812 9.620 1.00 0.00 O ATOM 1520 CB ALA A 97 -1.362 -43.453 12.489 1.00 0.00 C ATOM 0 H ALA A 97 -3.684 -43.885 11.310 1.00 0.00 H new ATOM 0 HA ALA A 97 -2.327 -41.545 12.503 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -0.358 -43.038 12.574 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -1.732 -43.714 13.480 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -1.334 -44.347 11.866 1.00 0.00 H new ATOM 1526 N PHE A 98 -1.549 -40.680 10.337 1.00 0.00 N ATOM 1527 CA PHE A 98 -1.036 -40.134 9.087 1.00 0.00 C ATOM 1528 C PHE A 98 0.234 -39.323 9.328 1.00 0.00 C ATOM 1529 O PHE A 98 0.549 -38.965 10.463 1.00 0.00 O ATOM 1530 CB PHE A 98 -2.095 -39.255 8.417 1.00 0.00 C ATOM 1531 CG PHE A 98 -3.375 -39.982 8.120 1.00 0.00 C ATOM 1532 CD1 PHE A 98 -3.357 -41.301 7.697 1.00 0.00 C ATOM 1533 CD2 PHE A 98 -4.598 -39.345 8.263 1.00 0.00 C ATOM 1534 CE1 PHE A 98 -4.534 -41.972 7.422 1.00 0.00 C ATOM 1535 CE2 PHE A 98 -5.778 -40.011 7.990 1.00 0.00 C ATOM 1536 CZ PHE A 98 -5.746 -41.326 7.570 1.00 0.00 C ATOM 0 H PHE A 98 -1.740 -39.982 11.055 1.00 0.00 H new ATOM 0 HA PHE A 98 -0.795 -40.968 8.428 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -2.311 -38.404 9.063 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -1.689 -38.855 7.488 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -2.412 -41.811 7.581 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -4.629 -38.317 8.591 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -4.506 -43.000 7.092 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -6.724 -39.503 8.105 1.00 0.00 H new ATOM 0 HZ PHE A 98 -6.667 -41.849 7.358 1.00 0.00 H new ATOM 1546 N TYR A 99 0.961 -39.039 8.253 1.00 0.00 N ATOM 1547 CA TYR A 99 2.198 -38.274 8.347 1.00 0.00 C ATOM 1548 C TYR A 99 2.064 -36.931 7.637 1.00 0.00 C ATOM 1549 O TYR A 99 1.159 -36.733 6.825 1.00 0.00 O ATOM 1550 CB TYR A 99 3.360 -39.068 7.745 1.00 0.00 C ATOM 1551 CG TYR A 99 3.020 -39.738 6.433 1.00 0.00 C ATOM 1552 CD1 TYR A 99 2.767 -38.986 5.292 1.00 0.00 C ATOM 1553 CD2 TYR A 99 2.950 -41.122 6.335 1.00 0.00 C ATOM 1554 CE1 TYR A 99 2.456 -39.594 4.091 1.00 0.00 C ATOM 1555 CE2 TYR A 99 2.641 -41.738 5.138 1.00 0.00 C ATOM 1556 CZ TYR A 99 2.394 -40.970 4.019 1.00 0.00 C ATOM 1557 OH TYR A 99 2.084 -41.580 2.825 1.00 0.00 O ATOM 0 H TYR A 99 0.715 -39.327 7.306 1.00 0.00 H new ATOM 0 HA TYR A 99 2.401 -38.088 9.402 1.00 0.00 H new ATOM 0 HB2 TYR A 99 4.206 -38.398 7.593 1.00 0.00 H new ATOM 0 HB3 TYR A 99 3.679 -39.827 8.459 1.00 0.00 H new ATOM 0 HD1 TYR A 99 2.814 -37.908 5.345 1.00 0.00 H new ATOM 0 HD2 TYR A 99 3.140 -41.726 7.210 1.00 0.00 H new ATOM 0 HE1 TYR A 99 2.262 -38.995 3.213 1.00 0.00 H new ATOM 0 HE2 TYR A 99 2.593 -42.815 5.078 1.00 0.00 H new ATOM 0 HH TYR A 99 1.302 -41.142 2.427 1.00 0.00 H new ATOM 1567 N ARG A 100 2.971 -36.011 7.948 1.00 0.00 N ATOM 1568 CA ARG A 100 2.955 -34.685 7.341 1.00 0.00 C ATOM 1569 C ARG A 100 4.277 -34.393 6.638 1.00 0.00 C ATOM 1570 O ARG A 100 5.144 -35.261 6.536 1.00 0.00 O ATOM 1571 CB ARG A 100 2.683 -33.618 8.403 1.00 0.00 C ATOM 1572 CG ARG A 100 1.218 -33.228 8.513 1.00 0.00 C ATOM 1573 CD ARG A 100 0.925 -32.530 9.832 1.00 0.00 C ATOM 1574 NE ARG A 100 -0.204 -33.137 10.533 1.00 0.00 N ATOM 1575 CZ ARG A 100 -0.414 -33.006 11.838 1.00 0.00 C ATOM 1576 NH1 ARG A 100 0.423 -32.295 12.580 1.00 0.00 N ATOM 1577 NH2 ARG A 100 -1.463 -33.589 12.404 1.00 0.00 N ATOM 0 H ARG A 100 3.727 -36.159 8.617 1.00 0.00 H new ATOM 0 HA ARG A 100 2.156 -34.662 6.600 1.00 0.00 H new ATOM 0 HB2 ARG A 100 3.026 -33.984 9.370 1.00 0.00 H new ATOM 0 HB3 ARG A 100 3.270 -32.729 8.172 1.00 0.00 H new ATOM 0 HG2 ARG A 100 0.952 -32.571 7.685 1.00 0.00 H new ATOM 0 HG3 ARG A 100 0.596 -34.119 8.425 1.00 0.00 H new ATOM 0 HD2 ARG A 100 1.810 -32.569 10.467 1.00 0.00 H new ATOM 0 HD3 ARG A 100 0.713 -31.477 9.646 1.00 0.00 H new ATOM 0 HE ARG A 100 -0.867 -33.691 9.991 1.00 0.00 H new ATOM 0 HH11 ARG A 100 1.231 -31.846 12.149 1.00 0.00 H new ATOM 0 HH12 ARG A 100 0.259 -32.196 13.582 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -2.109 -34.138 11.837 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -1.624 -33.488 13.406 1.00 0.00 H new ATOM 1591 N LYS A 101 4.425 -33.165 6.153 1.00 0.00 N ATOM 1592 CA LYS A 101 5.640 -32.756 5.460 1.00 0.00 C ATOM 1593 C LYS A 101 6.870 -32.994 6.331 1.00 0.00 C ATOM 1594 O LYS A 101 7.952 -33.291 5.825 1.00 0.00 O ATOM 1595 CB LYS A 101 5.558 -31.278 5.070 1.00 0.00 C ATOM 1596 CG LYS A 101 4.185 -30.856 4.575 1.00 0.00 C ATOM 1597 CD LYS A 101 4.278 -29.704 3.589 1.00 0.00 C ATOM 1598 CE LYS A 101 4.989 -28.505 4.197 1.00 0.00 C ATOM 1599 NZ LYS A 101 4.256 -27.235 3.936 1.00 0.00 N ATOM 0 H LYS A 101 3.717 -32.435 6.228 1.00 0.00 H new ATOM 0 HA LYS A 101 5.733 -33.359 4.557 1.00 0.00 H new ATOM 0 HB2 LYS A 101 5.828 -30.668 5.932 1.00 0.00 H new ATOM 0 HB3 LYS A 101 6.294 -31.074 4.292 1.00 0.00 H new ATOM 0 HG2 LYS A 101 3.692 -31.704 4.100 1.00 0.00 H new ATOM 0 HG3 LYS A 101 3.566 -30.562 5.423 1.00 0.00 H new ATOM 0 HD2 LYS A 101 4.811 -30.030 2.696 1.00 0.00 H new ATOM 0 HD3 LYS A 101 3.276 -29.412 3.273 1.00 0.00 H new ATOM 0 HE2 LYS A 101 5.092 -28.651 5.272 1.00 0.00 H new ATOM 0 HE3 LYS A 101 5.996 -28.434 3.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 4.772 -26.441 4.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 4.180 -27.083 2.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 3.303 -27.293 4.349 1.00 0.00 H new ATOM 1613 N ASP A 102 6.695 -32.864 7.642 1.00 0.00 N ATOM 1614 CA ASP A 102 7.790 -33.068 8.583 1.00 0.00 C ATOM 1615 C ASP A 102 8.297 -34.506 8.523 1.00 0.00 C ATOM 1616 O ASP A 102 9.379 -34.814 9.021 1.00 0.00 O ATOM 1617 CB ASP A 102 7.337 -32.733 10.005 1.00 0.00 C ATOM 1618 CG ASP A 102 8.502 -32.433 10.928 1.00 0.00 C ATOM 1619 OD1 ASP A 102 9.659 -32.497 10.463 1.00 0.00 O ATOM 1620 OD2 ASP A 102 8.256 -32.134 12.115 1.00 0.00 O ATOM 0 H ASP A 102 5.806 -32.618 8.077 1.00 0.00 H new ATOM 0 HA ASP A 102 8.606 -32.402 8.303 1.00 0.00 H new ATOM 0 HB2 ASP A 102 6.668 -31.873 9.977 1.00 0.00 H new ATOM 0 HB3 ASP A 102 6.764 -33.569 10.407 1.00 0.00 H new ATOM 1625 N GLY A 103 7.506 -35.382 7.911 1.00 0.00 N ATOM 1626 CA GLY A 103 7.892 -36.777 7.798 1.00 0.00 C ATOM 1627 C GLY A 103 7.409 -37.608 8.970 1.00 0.00 C ATOM 1628 O GLY A 103 7.344 -38.834 8.885 1.00 0.00 O ATOM 0 H GLY A 103 6.605 -35.151 7.492 1.00 0.00 H new ATOM 0 HA2 GLY A 103 7.488 -37.189 6.873 1.00 0.00 H new ATOM 0 HA3 GLY A 103 8.978 -36.846 7.730 1.00 0.00 H new ATOM 1632 N SER A 104 7.070 -36.940 10.068 1.00 0.00 N ATOM 1633 CA SER A 104 6.595 -37.625 11.264 1.00 0.00 C ATOM 1634 C SER A 104 5.161 -38.113 11.078 1.00 0.00 C ATOM 1635 O SER A 104 4.445 -37.645 10.192 1.00 0.00 O ATOM 1636 CB SER A 104 6.676 -36.696 12.477 1.00 0.00 C ATOM 1637 OG SER A 104 7.022 -35.378 12.087 1.00 0.00 O ATOM 0 H SER A 104 7.116 -35.925 10.154 1.00 0.00 H new ATOM 0 HA SER A 104 7.236 -38.490 11.435 1.00 0.00 H new ATOM 0 HB2 SER A 104 5.717 -36.685 12.996 1.00 0.00 H new ATOM 0 HB3 SER A 104 7.416 -37.076 13.182 1.00 0.00 H new ATOM 0 HG SER A 104 7.066 -34.803 12.880 1.00 0.00 H new ATOM 1643 N CYS A 105 4.750 -39.055 11.919 1.00 0.00 N ATOM 1644 CA CYS A 105 3.402 -39.608 11.848 1.00 0.00 C ATOM 1645 C CYS A 105 2.646 -39.365 13.150 1.00 0.00 C ATOM 1646 O CYS A 105 3.126 -39.704 14.232 1.00 0.00 O ATOM 1647 CB CYS A 105 3.458 -41.107 11.549 1.00 0.00 C ATOM 1648 SG CYS A 105 2.002 -41.743 10.687 1.00 0.00 S ATOM 0 H CYS A 105 5.330 -39.452 12.658 1.00 0.00 H new ATOM 0 HA CYS A 105 2.871 -39.104 11.041 1.00 0.00 H new ATOM 0 HB2 CYS A 105 4.343 -41.314 10.947 1.00 0.00 H new ATOM 0 HB3 CYS A 105 3.577 -41.649 12.487 1.00 0.00 H new ATOM 0 HG CYS A 105 2.144 -43.018 10.477 1.00 0.00 H new ATOM 1654 N PHE A 106 1.460 -38.775 13.038 1.00 0.00 N ATOM 1655 CA PHE A 106 0.638 -38.484 14.206 1.00 0.00 C ATOM 1656 C PHE A 106 -0.751 -39.100 14.061 1.00 0.00 C ATOM 1657 O PHE A 106 -1.135 -39.544 12.979 1.00 0.00 O ATOM 1658 CB PHE A 106 0.518 -36.972 14.409 1.00 0.00 C ATOM 1659 CG PHE A 106 1.424 -36.174 13.514 1.00 0.00 C ATOM 1660 CD1 PHE A 106 1.066 -35.910 12.202 1.00 0.00 C ATOM 1661 CD2 PHE A 106 2.633 -35.689 13.985 1.00 0.00 C ATOM 1662 CE1 PHE A 106 1.896 -35.176 11.376 1.00 0.00 C ATOM 1663 CE2 PHE A 106 3.467 -34.954 13.164 1.00 0.00 C ATOM 1664 CZ PHE A 106 3.099 -34.698 11.858 1.00 0.00 C ATOM 0 H PHE A 106 1.047 -38.489 12.150 1.00 0.00 H new ATOM 0 HA PHE A 106 1.123 -38.923 15.078 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -0.514 -36.670 14.231 1.00 0.00 H new ATOM 0 HB3 PHE A 106 0.745 -36.734 15.448 1.00 0.00 H new ATOM 0 HD1 PHE A 106 0.127 -36.282 11.820 1.00 0.00 H new ATOM 0 HD2 PHE A 106 2.927 -35.887 15.005 1.00 0.00 H new ATOM 0 HE1 PHE A 106 1.605 -34.976 10.355 1.00 0.00 H new ATOM 0 HE2 PHE A 106 4.406 -34.580 13.544 1.00 0.00 H new ATOM 0 HZ PHE A 106 3.750 -34.125 11.215 1.00 0.00 H new ATOM 1674 N LEU A 107 -1.498 -39.124 15.159 1.00 0.00 N ATOM 1675 CA LEU A 107 -2.844 -39.686 15.156 1.00 0.00 C ATOM 1676 C LEU A 107 -3.893 -38.588 15.005 1.00 0.00 C ATOM 1677 O LEU A 107 -3.877 -37.596 15.735 1.00 0.00 O ATOM 1678 CB LEU A 107 -3.093 -40.471 16.446 1.00 0.00 C ATOM 1679 CG LEU A 107 -3.048 -41.994 16.323 1.00 0.00 C ATOM 1680 CD1 LEU A 107 -1.613 -42.493 16.392 1.00 0.00 C ATOM 1681 CD2 LEU A 107 -3.892 -42.642 17.411 1.00 0.00 C ATOM 0 H LEU A 107 -1.195 -38.761 16.063 1.00 0.00 H new ATOM 0 HA LEU A 107 -2.927 -40.362 14.305 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -2.352 -40.164 17.184 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -4.069 -40.187 16.838 1.00 0.00 H new ATOM 0 HG LEU A 107 -3.462 -42.273 15.354 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -1.601 -43.579 16.303 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -1.036 -42.055 15.577 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -1.172 -42.202 17.346 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -3.848 -43.726 17.308 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -3.507 -42.355 18.390 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -4.926 -42.310 17.316 1.00 0.00 H new ATOM 1693 N CYS A 108 -4.803 -38.774 14.056 1.00 0.00 N ATOM 1694 CA CYS A 108 -5.860 -37.800 13.810 1.00 0.00 C ATOM 1695 C CYS A 108 -7.217 -38.487 13.697 1.00 0.00 C ATOM 1696 O CYS A 108 -7.296 -39.701 13.502 1.00 0.00 O ATOM 1697 CB CYS A 108 -5.568 -37.010 12.533 1.00 0.00 C ATOM 1698 SG CYS A 108 -5.946 -37.905 11.008 1.00 0.00 S ATOM 0 H CYS A 108 -4.830 -39.590 13.444 1.00 0.00 H new ATOM 0 HA CYS A 108 -5.890 -37.113 14.655 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -6.144 -36.085 12.551 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -4.515 -36.729 12.525 1.00 0.00 H new ATOM 0 HG CYS A 108 -4.840 -38.298 10.450 1.00 0.00 H new ATOM 1704 N LEU A 109 -8.283 -37.704 13.823 1.00 0.00 N ATOM 1705 CA LEU A 109 -9.638 -38.237 13.737 1.00 0.00 C ATOM 1706 C LEU A 109 -10.293 -37.850 12.415 1.00 0.00 C ATOM 1707 O LEU A 109 -10.035 -36.774 11.874 1.00 0.00 O ATOM 1708 CB LEU A 109 -10.483 -37.728 14.906 1.00 0.00 C ATOM 1709 CG LEU A 109 -11.245 -38.792 15.697 1.00 0.00 C ATOM 1710 CD1 LEU A 109 -11.610 -38.272 17.078 1.00 0.00 C ATOM 1711 CD2 LEU A 109 -12.493 -39.226 14.942 1.00 0.00 C ATOM 0 H LEU A 109 -8.235 -36.698 13.985 1.00 0.00 H new ATOM 0 HA LEU A 109 -9.578 -39.324 13.787 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -9.830 -37.191 15.594 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -11.203 -37.006 14.521 1.00 0.00 H new ATOM 0 HG LEU A 109 -10.597 -39.660 15.818 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -12.152 -39.043 17.626 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -10.701 -38.012 17.621 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -12.239 -37.387 16.979 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -13.023 -39.983 15.520 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -13.144 -38.365 14.789 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -12.208 -39.641 13.975 1.00 0.00 H new ATOM 1723 N VAL A 110 -11.144 -38.732 11.901 1.00 0.00 N ATOM 1724 CA VAL A 110 -11.839 -38.481 10.644 1.00 0.00 C ATOM 1725 C VAL A 110 -13.333 -38.757 10.777 1.00 0.00 C ATOM 1726 O VAL A 110 -13.760 -39.911 10.809 1.00 0.00 O ATOM 1727 CB VAL A 110 -11.268 -39.345 9.504 1.00 0.00 C ATOM 1728 CG1 VAL A 110 -12.081 -39.157 8.233 1.00 0.00 C ATOM 1729 CG2 VAL A 110 -9.803 -39.010 9.265 1.00 0.00 C ATOM 0 H VAL A 110 -11.369 -39.627 12.336 1.00 0.00 H new ATOM 0 HA VAL A 110 -11.687 -37.429 10.403 1.00 0.00 H new ATOM 0 HB VAL A 110 -11.334 -40.393 9.797 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -11.663 -39.775 7.439 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -13.115 -39.451 8.415 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -12.049 -38.110 7.932 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -9.415 -39.630 8.456 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -9.710 -37.959 8.993 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -9.233 -39.202 10.174 1.00 0.00 H new ATOM 1739 N ASP A 111 -14.121 -37.691 10.854 1.00 0.00 N ATOM 1740 CA ASP A 111 -15.568 -37.818 10.982 1.00 0.00 C ATOM 1741 C ASP A 111 -16.254 -37.596 9.637 1.00 0.00 C ATOM 1742 O ASP A 111 -15.964 -36.630 8.932 1.00 0.00 O ATOM 1743 CB ASP A 111 -16.101 -36.819 12.010 1.00 0.00 C ATOM 1744 CG ASP A 111 -17.558 -37.059 12.350 1.00 0.00 C ATOM 1745 OD1 ASP A 111 -17.973 -38.237 12.387 1.00 0.00 O ATOM 1746 OD2 ASP A 111 -18.284 -36.070 12.581 1.00 0.00 O ATOM 0 H ASP A 111 -13.782 -36.729 10.830 1.00 0.00 H new ATOM 0 HA ASP A 111 -15.790 -38.830 11.321 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -15.503 -36.884 12.919 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -15.983 -35.807 11.623 1.00 0.00 H new ATOM 1751 N VAL A 112 -17.165 -38.500 9.287 1.00 0.00 N ATOM 1752 CA VAL A 112 -17.892 -38.403 8.027 1.00 0.00 C ATOM 1753 C VAL A 112 -19.393 -38.288 8.267 1.00 0.00 C ATOM 1754 O VAL A 112 -19.965 -39.035 9.060 1.00 0.00 O ATOM 1755 CB VAL A 112 -17.619 -39.623 7.127 1.00 0.00 C ATOM 1756 CG1 VAL A 112 -18.173 -40.890 7.761 1.00 0.00 C ATOM 1757 CG2 VAL A 112 -18.211 -39.406 5.743 1.00 0.00 C ATOM 0 H VAL A 112 -17.416 -39.307 9.858 1.00 0.00 H new ATOM 0 HA VAL A 112 -17.537 -37.503 7.524 1.00 0.00 H new ATOM 0 HB VAL A 112 -16.541 -39.741 7.022 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -17.970 -41.741 7.111 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -17.697 -41.051 8.728 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -19.249 -40.787 7.899 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -18.009 -40.277 5.120 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -19.288 -39.262 5.827 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -17.761 -38.523 5.289 1.00 0.00 H new ATOM 1767 N VAL A 113 -20.027 -37.347 7.574 1.00 0.00 N ATOM 1768 CA VAL A 113 -21.463 -37.135 7.709 1.00 0.00 C ATOM 1769 C VAL A 113 -22.089 -36.742 6.376 1.00 0.00 C ATOM 1770 O VAL A 113 -21.572 -35.898 5.644 1.00 0.00 O ATOM 1771 CB VAL A 113 -21.773 -36.043 8.751 1.00 0.00 C ATOM 1772 CG1 VAL A 113 -23.275 -35.845 8.887 1.00 0.00 C ATOM 1773 CG2 VAL A 113 -21.150 -36.395 10.093 1.00 0.00 C ATOM 0 H VAL A 113 -19.568 -36.719 6.913 1.00 0.00 H new ATOM 0 HA VAL A 113 -21.892 -38.079 8.044 1.00 0.00 H new ATOM 0 HB VAL A 113 -21.337 -35.105 8.409 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -23.474 -35.070 9.627 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -23.691 -35.544 7.925 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -23.738 -36.779 9.206 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -21.379 -35.613 10.817 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -21.555 -37.344 10.444 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -20.069 -36.481 9.981 1.00 0.00 H new ATOM 1783 N PRO A 114 -23.230 -37.368 6.050 1.00 0.00 N ATOM 1784 CA PRO A 114 -23.952 -37.100 4.803 1.00 0.00 C ATOM 1785 C PRO A 114 -24.593 -35.716 4.791 1.00 0.00 C ATOM 1786 O PRO A 114 -25.045 -35.221 5.824 1.00 0.00 O ATOM 1787 CB PRO A 114 -25.028 -38.188 4.776 1.00 0.00 C ATOM 1788 CG PRO A 114 -25.239 -38.549 6.206 1.00 0.00 C ATOM 1789 CD PRO A 114 -23.902 -38.386 6.875 1.00 0.00 C ATOM 0 HA PRO A 114 -23.290 -37.114 3.937 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -25.948 -37.823 4.320 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -24.704 -39.051 4.194 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -25.987 -37.903 6.666 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -25.601 -39.573 6.301 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -24.007 -38.059 7.910 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -23.344 -39.322 6.892 1.00 0.00 H new ATOM 1797 N VAL A 115 -24.629 -35.096 3.616 1.00 0.00 N ATOM 1798 CA VAL A 115 -25.216 -33.770 3.469 1.00 0.00 C ATOM 1799 C VAL A 115 -26.595 -33.847 2.822 1.00 0.00 C ATOM 1800 O VAL A 115 -26.716 -33.912 1.599 1.00 0.00 O ATOM 1801 CB VAL A 115 -24.317 -32.848 2.625 1.00 0.00 C ATOM 1802 CG1 VAL A 115 -24.773 -31.402 2.743 1.00 0.00 C ATOM 1803 CG2 VAL A 115 -22.862 -32.992 3.046 1.00 0.00 C ATOM 0 H VAL A 115 -24.258 -35.491 2.752 1.00 0.00 H new ATOM 0 HA VAL A 115 -25.311 -33.354 4.472 1.00 0.00 H new ATOM 0 HB VAL A 115 -24.401 -33.146 1.580 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -24.125 -30.766 2.140 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -25.800 -31.314 2.389 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -24.721 -31.088 3.785 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -22.241 -32.333 2.439 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -22.759 -32.722 4.097 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -22.543 -34.024 2.904 1.00 0.00 H new ATOM 1813 N LYS A 116 -27.633 -33.841 3.652 1.00 0.00 N ATOM 1814 CA LYS A 116 -29.004 -33.909 3.163 1.00 0.00 C ATOM 1815 C LYS A 116 -29.480 -32.541 2.684 1.00 0.00 C ATOM 1816 O LYS A 116 -28.835 -31.525 2.941 1.00 0.00 O ATOM 1817 CB LYS A 116 -29.934 -34.428 4.261 1.00 0.00 C ATOM 1818 CG LYS A 116 -29.599 -35.834 4.728 1.00 0.00 C ATOM 1819 CD LYS A 116 -30.430 -36.234 5.935 1.00 0.00 C ATOM 1820 CE LYS A 116 -30.248 -37.706 6.274 1.00 0.00 C ATOM 1821 NZ LYS A 116 -29.523 -37.893 7.561 1.00 0.00 N ATOM 0 H LYS A 116 -27.550 -33.790 4.667 1.00 0.00 H new ATOM 0 HA LYS A 116 -29.028 -34.598 2.319 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -29.889 -33.751 5.114 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -30.960 -34.411 3.894 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -29.773 -36.539 3.915 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -28.540 -35.892 4.979 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -30.145 -35.624 6.792 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -31.483 -36.033 5.736 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -31.224 -38.188 6.333 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -29.697 -38.198 5.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -29.419 -38.909 7.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -28.582 -37.455 7.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -30.061 -37.446 8.331 1.00 0.00 H new ATOM 1835 N ASN A 117 -30.612 -32.523 1.988 1.00 0.00 N ATOM 1836 CA ASN A 117 -31.174 -31.279 1.475 1.00 0.00 C ATOM 1837 C ASN A 117 -32.378 -30.843 2.304 1.00 0.00 C ATOM 1838 O ASN A 117 -32.679 -31.437 3.339 1.00 0.00 O ATOM 1839 CB ASN A 117 -31.583 -31.446 0.010 1.00 0.00 C ATOM 1840 CG ASN A 117 -30.398 -31.371 -0.933 1.00 0.00 C ATOM 1841 OD1 ASN A 117 -29.301 -30.976 -0.539 1.00 0.00 O ATOM 1842 ND2 ASN A 117 -30.615 -31.750 -2.187 1.00 0.00 N ATOM 0 H ASN A 117 -31.158 -33.356 1.766 1.00 0.00 H new ATOM 0 HA ASN A 117 -30.408 -30.507 1.546 1.00 0.00 H new ATOM 0 HB2 ASN A 117 -32.085 -32.405 -0.117 1.00 0.00 H new ATOM 0 HB3 ASN A 117 -32.303 -30.672 -0.254 1.00 0.00 H new ATOM 0 HD21 ASN A 117 -29.856 -31.720 -2.867 1.00 0.00 H new ATOM 0 HD22 ASN A 117 -31.541 -32.071 -2.470 1.00 0.00 H new ATOM 1849 N GLU A 118 -33.063 -29.802 1.841 1.00 0.00 N ATOM 1850 CA GLU A 118 -34.234 -29.286 2.541 1.00 0.00 C ATOM 1851 C GLU A 118 -35.294 -30.373 2.701 1.00 0.00 C ATOM 1852 O GLU A 118 -36.155 -30.290 3.576 1.00 0.00 O ATOM 1853 CB GLU A 118 -34.822 -28.092 1.786 1.00 0.00 C ATOM 1854 CG GLU A 118 -35.058 -26.874 2.664 1.00 0.00 C ATOM 1855 CD GLU A 118 -35.934 -27.181 3.863 1.00 0.00 C ATOM 1856 OE1 GLU A 118 -37.014 -27.778 3.672 1.00 0.00 O ATOM 1857 OE2 GLU A 118 -35.540 -26.824 4.993 1.00 0.00 O ATOM 0 H GLU A 118 -32.828 -29.300 0.985 1.00 0.00 H new ATOM 0 HA GLU A 118 -33.919 -28.960 3.532 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -34.149 -27.819 0.974 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -35.766 -28.390 1.331 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -34.099 -26.488 3.009 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -35.524 -26.087 2.070 1.00 0.00 H new ATOM 1864 N ASP A 119 -35.223 -31.389 1.849 1.00 0.00 N ATOM 1865 CA ASP A 119 -36.176 -32.493 1.895 1.00 0.00 C ATOM 1866 C ASP A 119 -35.611 -33.666 2.690 1.00 0.00 C ATOM 1867 O ASP A 119 -36.319 -34.627 2.985 1.00 0.00 O ATOM 1868 CB ASP A 119 -36.532 -32.946 0.478 1.00 0.00 C ATOM 1869 CG ASP A 119 -37.983 -32.675 0.132 1.00 0.00 C ATOM 1870 OD1 ASP A 119 -38.414 -31.510 0.256 1.00 0.00 O ATOM 1871 OD2 ASP A 119 -38.687 -33.628 -0.264 1.00 0.00 O ATOM 0 H ASP A 119 -34.516 -31.472 1.118 1.00 0.00 H new ATOM 0 HA ASP A 119 -37.079 -32.141 2.394 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -35.889 -32.433 -0.237 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -36.331 -34.013 0.379 1.00 0.00 H new ATOM 1876 N GLY A 120 -34.329 -33.579 3.033 1.00 0.00 N ATOM 1877 CA GLY A 120 -33.690 -34.640 3.790 1.00 0.00 C ATOM 1878 C GLY A 120 -33.066 -35.694 2.897 1.00 0.00 C ATOM 1879 O GLY A 120 -32.770 -36.801 3.346 1.00 0.00 O ATOM 0 H GLY A 120 -33.722 -32.793 2.800 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -32.921 -34.211 4.433 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -34.425 -35.110 4.443 1.00 0.00 H new ATOM 1883 N ALA A 121 -32.868 -35.351 1.629 1.00 0.00 N ATOM 1884 CA ALA A 121 -32.275 -36.276 0.671 1.00 0.00 C ATOM 1885 C ALA A 121 -30.764 -36.087 0.588 1.00 0.00 C ATOM 1886 O ALA A 121 -30.282 -35.023 0.201 1.00 0.00 O ATOM 1887 CB ALA A 121 -32.908 -36.093 -0.700 1.00 0.00 C ATOM 0 H ALA A 121 -33.110 -34.439 1.241 1.00 0.00 H new ATOM 0 HA ALA A 121 -32.469 -37.292 1.016 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -32.456 -36.790 -1.406 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -33.979 -36.286 -0.635 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -32.744 -35.072 -1.043 1.00 0.00 H new ATOM 1893 N VAL A 122 -30.022 -37.127 0.954 1.00 0.00 N ATOM 1894 CA VAL A 122 -28.565 -37.076 0.920 1.00 0.00 C ATOM 1895 C VAL A 122 -28.043 -37.228 -0.504 1.00 0.00 C ATOM 1896 O VAL A 122 -28.387 -38.181 -1.203 1.00 0.00 O ATOM 1897 CB VAL A 122 -27.944 -38.175 1.803 1.00 0.00 C ATOM 1898 CG1 VAL A 122 -28.393 -39.551 1.338 1.00 0.00 C ATOM 1899 CG2 VAL A 122 -26.426 -38.069 1.796 1.00 0.00 C ATOM 0 H VAL A 122 -30.406 -38.015 1.277 1.00 0.00 H new ATOM 0 HA VAL A 122 -28.273 -36.100 1.309 1.00 0.00 H new ATOM 0 HB VAL A 122 -28.291 -38.034 2.827 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -27.944 -40.314 1.974 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -29.479 -39.620 1.400 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -28.078 -39.707 0.306 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -26.004 -38.853 2.425 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -26.058 -38.184 0.776 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -26.128 -37.094 2.182 1.00 0.00 H new ATOM 1909 N ILE A 123 -27.209 -36.284 -0.927 1.00 0.00 N ATOM 1910 CA ILE A 123 -26.638 -36.314 -2.267 1.00 0.00 C ATOM 1911 C ILE A 123 -25.137 -36.577 -2.219 1.00 0.00 C ATOM 1912 O ILE A 123 -24.576 -37.195 -3.123 1.00 0.00 O ATOM 1913 CB ILE A 123 -26.893 -34.993 -3.018 1.00 0.00 C ATOM 1914 CG1 ILE A 123 -26.581 -33.799 -2.113 1.00 0.00 C ATOM 1915 CG2 ILE A 123 -28.331 -34.932 -3.508 1.00 0.00 C ATOM 1916 CD1 ILE A 123 -27.766 -33.335 -1.295 1.00 0.00 C ATOM 0 H ILE A 123 -26.914 -35.489 -0.360 1.00 0.00 H new ATOM 0 HA ILE A 123 -27.130 -37.127 -2.801 1.00 0.00 H new ATOM 0 HB ILE A 123 -26.233 -34.951 -3.884 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -25.767 -34.067 -1.439 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -26.227 -32.971 -2.727 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -28.496 -33.993 -4.037 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -28.521 -35.767 -4.183 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -29.008 -34.993 -2.656 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -27.472 -32.486 -0.677 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -28.574 -33.035 -1.962 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -28.107 -34.149 -0.655 1.00 0.00 H new ATOM 1928 N MET A 124 -24.493 -36.105 -1.157 1.00 0.00 N ATOM 1929 CA MET A 124 -23.056 -36.293 -0.989 1.00 0.00 C ATOM 1930 C MET A 124 -22.706 -36.527 0.477 1.00 0.00 C ATOM 1931 O MET A 124 -23.589 -36.618 1.330 1.00 0.00 O ATOM 1932 CB MET A 124 -22.296 -35.075 -1.519 1.00 0.00 C ATOM 1933 CG MET A 124 -22.550 -33.806 -0.722 1.00 0.00 C ATOM 1934 SD MET A 124 -23.009 -32.410 -1.767 1.00 0.00 S ATOM 1935 CE MET A 124 -22.622 -31.036 -0.685 1.00 0.00 C ATOM 0 H MET A 124 -24.943 -35.590 -0.400 1.00 0.00 H new ATOM 0 HA MET A 124 -22.760 -37.174 -1.559 1.00 0.00 H new ATOM 0 HB2 MET A 124 -21.228 -35.292 -1.511 1.00 0.00 H new ATOM 0 HB3 MET A 124 -22.579 -34.904 -2.558 1.00 0.00 H new ATOM 0 HG2 MET A 124 -23.344 -33.989 0.002 1.00 0.00 H new ATOM 0 HG3 MET A 124 -21.654 -33.552 -0.156 1.00 0.00 H new ATOM 0 HE1 MET A 124 -23.300 -30.208 -0.892 1.00 0.00 H new ATOM 0 HE2 MET A 124 -22.736 -31.347 0.353 1.00 0.00 H new ATOM 0 HE3 MET A 124 -21.595 -30.715 -0.857 1.00 0.00 H new ATOM 1945 N PHE A 125 -21.412 -36.623 0.764 1.00 0.00 N ATOM 1946 CA PHE A 125 -20.945 -36.848 2.127 1.00 0.00 C ATOM 1947 C PHE A 125 -19.711 -36.002 2.426 1.00 0.00 C ATOM 1948 O PHE A 125 -18.745 -36.004 1.662 1.00 0.00 O ATOM 1949 CB PHE A 125 -20.627 -38.329 2.342 1.00 0.00 C ATOM 1950 CG PHE A 125 -21.045 -39.205 1.195 1.00 0.00 C ATOM 1951 CD1 PHE A 125 -22.381 -39.513 0.993 1.00 0.00 C ATOM 1952 CD2 PHE A 125 -20.102 -39.720 0.320 1.00 0.00 C ATOM 1953 CE1 PHE A 125 -22.769 -40.318 -0.062 1.00 0.00 C ATOM 1954 CE2 PHE A 125 -20.485 -40.525 -0.736 1.00 0.00 C ATOM 1955 CZ PHE A 125 -21.819 -40.825 -0.927 1.00 0.00 C ATOM 0 H PHE A 125 -20.668 -36.548 0.070 1.00 0.00 H new ATOM 0 HA PHE A 125 -21.741 -36.552 2.811 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -19.555 -38.442 2.503 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -21.124 -38.671 3.250 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -23.127 -39.120 1.667 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -19.057 -39.490 0.465 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -23.813 -40.550 -0.210 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -19.741 -40.919 -1.412 1.00 0.00 H new ATOM 0 HZ PHE A 125 -22.119 -41.455 -1.751 1.00 0.00 H new ATOM 1965 N ILE A 126 -19.751 -35.281 3.541 1.00 0.00 N ATOM 1966 CA ILE A 126 -18.636 -34.431 3.941 1.00 0.00 C ATOM 1967 C ILE A 126 -17.909 -35.012 5.149 1.00 0.00 C ATOM 1968 O ILE A 126 -18.526 -35.616 6.028 1.00 0.00 O ATOM 1969 CB ILE A 126 -19.108 -33.004 4.277 1.00 0.00 C ATOM 1970 CG1 ILE A 126 -17.906 -32.076 4.461 1.00 0.00 C ATOM 1971 CG2 ILE A 126 -19.974 -33.013 5.528 1.00 0.00 C ATOM 1972 CD1 ILE A 126 -17.426 -31.987 5.892 1.00 0.00 C ATOM 0 H ILE A 126 -20.543 -35.268 4.184 1.00 0.00 H new ATOM 0 HA ILE A 126 -17.952 -34.388 3.094 1.00 0.00 H new ATOM 0 HB ILE A 126 -19.708 -32.631 3.447 1.00 0.00 H new ATOM 0 HG12 ILE A 126 -17.087 -32.426 3.833 1.00 0.00 H new ATOM 0 HG13 ILE A 126 -18.171 -31.078 4.112 1.00 0.00 H new ATOM 0 HG21 ILE A 126 -20.300 -31.997 5.752 1.00 0.00 H new ATOM 0 HG22 ILE A 126 -20.846 -33.645 5.362 1.00 0.00 H new ATOM 0 HG23 ILE A 126 -19.397 -33.403 6.367 1.00 0.00 H new ATOM 0 HD11 ILE A 126 -16.572 -31.312 5.948 1.00 0.00 H new ATOM 0 HD12 ILE A 126 -18.230 -31.608 6.523 1.00 0.00 H new ATOM 0 HD13 ILE A 126 -17.129 -32.977 6.239 1.00 0.00 H new ATOM 1984 N LEU A 127 -16.595 -34.823 5.188 1.00 0.00 N ATOM 1985 CA LEU A 127 -15.782 -35.326 6.290 1.00 0.00 C ATOM 1986 C LEU A 127 -14.745 -34.292 6.718 1.00 0.00 C ATOM 1987 O LEU A 127 -14.262 -33.509 5.902 1.00 0.00 O ATOM 1988 CB LEU A 127 -15.085 -36.626 5.884 1.00 0.00 C ATOM 1989 CG LEU A 127 -14.149 -36.537 4.678 1.00 0.00 C ATOM 1990 CD1 LEU A 127 -13.089 -37.626 4.745 1.00 0.00 C ATOM 1991 CD2 LEU A 127 -14.939 -36.638 3.381 1.00 0.00 C ATOM 0 H LEU A 127 -16.069 -34.325 4.469 1.00 0.00 H new ATOM 0 HA LEU A 127 -16.442 -35.523 7.135 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -14.512 -36.990 6.737 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -15.849 -37.374 5.671 1.00 0.00 H new ATOM 0 HG LEU A 127 -13.649 -35.569 4.700 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -12.432 -37.548 3.879 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -12.503 -37.508 5.657 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -13.571 -38.604 4.747 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -14.257 -36.573 2.533 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -15.467 -37.591 3.350 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -15.660 -35.822 3.330 1.00 0.00 H new ATOM 2003 N ASN A 128 -14.407 -34.298 8.004 1.00 0.00 N ATOM 2004 CA ASN A 128 -13.426 -33.362 8.540 1.00 0.00 C ATOM 2005 C ASN A 128 -12.406 -34.084 9.415 1.00 0.00 C ATOM 2006 O ASN A 128 -12.691 -35.144 9.973 1.00 0.00 O ATOM 2007 CB ASN A 128 -14.124 -32.267 9.349 1.00 0.00 C ATOM 2008 CG ASN A 128 -14.985 -32.831 10.463 1.00 0.00 C ATOM 2009 OD1 ASN A 128 -14.488 -33.158 11.541 1.00 0.00 O ATOM 2010 ND2 ASN A 128 -16.283 -32.947 10.207 1.00 0.00 N ATOM 0 H ASN A 128 -14.798 -34.940 8.693 1.00 0.00 H new ATOM 0 HA ASN A 128 -12.900 -32.906 7.701 1.00 0.00 H new ATOM 0 HB2 ASN A 128 -13.374 -31.600 9.775 1.00 0.00 H new ATOM 0 HB3 ASN A 128 -14.744 -31.666 8.683 1.00 0.00 H new ATOM 0 HD21 ASN A 128 -16.912 -33.320 10.918 1.00 0.00 H new ATOM 0 HD22 ASN A 128 -16.651 -32.663 9.299 1.00 0.00 H new ATOM 2017 N PHE A 129 -11.217 -33.503 9.531 1.00 0.00 N ATOM 2018 CA PHE A 129 -10.154 -34.091 10.338 1.00 0.00 C ATOM 2019 C PHE A 129 -10.043 -33.387 11.687 1.00 0.00 C ATOM 2020 O PHE A 129 -10.490 -32.251 11.844 1.00 0.00 O ATOM 2021 CB PHE A 129 -8.818 -34.012 9.597 1.00 0.00 C ATOM 2022 CG PHE A 129 -7.752 -33.280 10.360 1.00 0.00 C ATOM 2023 CD1 PHE A 129 -7.754 -31.896 10.425 1.00 0.00 C ATOM 2024 CD2 PHE A 129 -6.746 -33.976 11.012 1.00 0.00 C ATOM 2025 CE1 PHE A 129 -6.774 -31.219 11.127 1.00 0.00 C ATOM 2026 CE2 PHE A 129 -5.764 -33.304 11.715 1.00 0.00 C ATOM 2027 CZ PHE A 129 -5.777 -31.924 11.772 1.00 0.00 C ATOM 0 H PHE A 129 -10.965 -32.625 9.076 1.00 0.00 H new ATOM 0 HA PHE A 129 -10.402 -35.138 10.513 1.00 0.00 H new ATOM 0 HB2 PHE A 129 -8.471 -35.023 9.382 1.00 0.00 H new ATOM 0 HB3 PHE A 129 -8.972 -33.517 8.638 1.00 0.00 H new ATOM 0 HD1 PHE A 129 -8.530 -31.339 9.921 1.00 0.00 H new ATOM 0 HD2 PHE A 129 -6.729 -35.055 10.970 1.00 0.00 H new ATOM 0 HE1 PHE A 129 -6.788 -30.140 11.171 1.00 0.00 H new ATOM 0 HE2 PHE A 129 -4.986 -33.858 12.220 1.00 0.00 H new ATOM 0 HZ PHE A 129 -5.009 -31.398 12.320 1.00 0.00 H new ATOM 2037 N GLU A 130 -9.444 -34.070 12.657 1.00 0.00 N ATOM 2038 CA GLU A 130 -9.275 -33.511 13.993 1.00 0.00 C ATOM 2039 C GLU A 130 -8.173 -34.242 14.754 1.00 0.00 C ATOM 2040 O GLU A 130 -8.327 -35.405 15.127 1.00 0.00 O ATOM 2041 CB GLU A 130 -10.588 -33.591 14.774 1.00 0.00 C ATOM 2042 CG GLU A 130 -10.444 -33.246 16.246 1.00 0.00 C ATOM 2043 CD GLU A 130 -9.809 -31.887 16.468 1.00 0.00 C ATOM 2044 OE1 GLU A 130 -10.506 -30.868 16.279 1.00 0.00 O ATOM 2045 OE2 GLU A 130 -8.614 -31.842 16.829 1.00 0.00 O ATOM 0 H GLU A 130 -9.068 -35.011 12.543 1.00 0.00 H new ATOM 0 HA GLU A 130 -8.987 -32.465 13.887 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -11.312 -32.914 14.320 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -10.993 -34.599 14.684 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -11.427 -33.265 16.717 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -9.840 -34.009 16.737 1.00 0.00 H new ATOM 2052 N VAL A 131 -7.060 -33.552 14.981 1.00 0.00 N ATOM 2053 CA VAL A 131 -5.931 -34.135 15.698 1.00 0.00 C ATOM 2054 C VAL A 131 -6.372 -34.716 17.037 1.00 0.00 C ATOM 2055 O VAL A 131 -7.184 -34.122 17.746 1.00 0.00 O ATOM 2056 CB VAL A 131 -4.823 -33.093 15.942 1.00 0.00 C ATOM 2057 CG1 VAL A 131 -3.600 -33.750 16.563 1.00 0.00 C ATOM 2058 CG2 VAL A 131 -4.459 -32.389 14.643 1.00 0.00 C ATOM 0 H VAL A 131 -6.915 -32.589 14.679 1.00 0.00 H new ATOM 0 HA VAL A 131 -5.536 -34.934 15.071 1.00 0.00 H new ATOM 0 HB VAL A 131 -5.198 -32.345 16.641 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -2.828 -32.999 16.728 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -3.875 -34.203 17.515 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -3.220 -34.519 15.891 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -3.675 -31.656 14.834 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -4.102 -33.122 13.919 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -5.339 -31.884 14.244 1.00 0.00 H new ATOM 2068 N VAL A 132 -5.829 -35.880 17.377 1.00 0.00 N ATOM 2069 CA VAL A 132 -6.165 -36.542 18.633 1.00 0.00 C ATOM 2070 C VAL A 132 -4.908 -36.899 19.418 1.00 0.00 C ATOM 2071 O VAL A 132 -4.904 -36.873 20.648 1.00 0.00 O ATOM 2072 CB VAL A 132 -6.987 -37.822 18.391 1.00 0.00 C ATOM 2073 CG1 VAL A 132 -7.287 -38.520 19.708 1.00 0.00 C ATOM 2074 CG2 VAL A 132 -8.272 -37.496 17.645 1.00 0.00 C ATOM 0 H VAL A 132 -5.155 -36.384 16.801 1.00 0.00 H new ATOM 0 HA VAL A 132 -6.764 -35.839 19.211 1.00 0.00 H new ATOM 0 HB VAL A 132 -6.398 -38.501 17.774 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -7.868 -39.422 19.517 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -6.352 -38.788 20.199 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -7.856 -37.851 20.353 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -8.841 -38.412 17.482 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -8.868 -36.799 18.234 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -8.030 -37.044 16.683 1.00 0.00 H new ATOM 2084 N MET A 133 -3.842 -37.233 18.698 1.00 0.00 N ATOM 2085 CA MET A 133 -2.577 -37.594 19.328 1.00 0.00 C ATOM 2086 C MET A 133 -1.396 -37.103 18.497 1.00 0.00 C ATOM 2087 O MET A 133 -0.742 -37.887 17.810 1.00 0.00 O ATOM 2088 CB MET A 133 -2.490 -39.110 19.515 1.00 0.00 C ATOM 2089 CG MET A 133 -2.759 -39.563 20.940 1.00 0.00 C ATOM 2090 SD MET A 133 -4.268 -40.540 21.085 1.00 0.00 S ATOM 2091 CE MET A 133 -3.745 -41.800 22.246 1.00 0.00 C ATOM 0 H MET A 133 -3.829 -37.261 17.678 1.00 0.00 H new ATOM 0 HA MET A 133 -2.536 -37.112 20.305 1.00 0.00 H new ATOM 0 HB2 MET A 133 -3.205 -39.592 18.848 1.00 0.00 H new ATOM 0 HB3 MET A 133 -1.498 -39.448 19.216 1.00 0.00 H new ATOM 0 HG2 MET A 133 -1.914 -40.152 21.296 1.00 0.00 H new ATOM 0 HG3 MET A 133 -2.833 -38.689 21.587 1.00 0.00 H new ATOM 0 HE1 MET A 133 -4.572 -42.484 22.438 1.00 0.00 H new ATOM 0 HE2 MET A 133 -2.905 -42.355 21.827 1.00 0.00 H new ATOM 0 HE3 MET A 133 -3.439 -41.329 23.180 1.00 0.00 H new ATOM 2101 N GLU A 134 -1.129 -35.803 18.565 1.00 0.00 N ATOM 2102 CA GLU A 134 -0.027 -35.209 17.817 1.00 0.00 C ATOM 2103 C GLU A 134 1.317 -35.625 18.407 1.00 0.00 C ATOM 2104 O GLU A 134 1.860 -34.950 19.281 1.00 0.00 O ATOM 2105 CB GLU A 134 -0.146 -33.684 17.815 1.00 0.00 C ATOM 2106 CG GLU A 134 1.008 -32.985 17.116 1.00 0.00 C ATOM 2107 CD GLU A 134 0.820 -31.482 17.041 1.00 0.00 C ATOM 2108 OE1 GLU A 134 -0.227 -30.990 17.510 1.00 0.00 O ATOM 2109 OE2 GLU A 134 1.721 -30.798 16.513 1.00 0.00 O ATOM 0 H GLU A 134 -1.660 -35.141 19.130 1.00 0.00 H new ATOM 0 HA GLU A 134 -0.081 -35.571 16.790 1.00 0.00 H new ATOM 0 HB2 GLU A 134 -1.079 -33.401 17.328 1.00 0.00 H new ATOM 0 HB3 GLU A 134 -0.204 -33.331 18.845 1.00 0.00 H new ATOM 0 HG2 GLU A 134 1.935 -33.206 17.645 1.00 0.00 H new ATOM 0 HG3 GLU A 134 1.113 -33.385 16.108 1.00 0.00 H new ATOM 2116 N LYS A 135 1.849 -36.743 17.924 1.00 0.00 N ATOM 2117 CA LYS A 135 3.129 -37.251 18.401 1.00 0.00 C ATOM 2118 C LYS A 135 4.198 -36.164 18.352 1.00 0.00 C ATOM 2119 O LYS A 135 5.235 -36.268 19.008 1.00 0.00 O ATOM 2120 CB LYS A 135 3.569 -38.453 17.562 1.00 0.00 C ATOM 2121 CG LYS A 135 3.117 -39.788 18.128 1.00 0.00 C ATOM 2122 CD LYS A 135 1.607 -39.843 18.287 1.00 0.00 C ATOM 2123 CE LYS A 135 1.180 -39.445 19.692 1.00 0.00 C ATOM 2124 NZ LYS A 135 0.482 -40.557 20.395 1.00 0.00 N ATOM 0 H LYS A 135 1.412 -37.315 17.201 1.00 0.00 H new ATOM 0 HA LYS A 135 3.003 -37.566 19.437 1.00 0.00 H new ATOM 0 HB2 LYS A 135 3.175 -38.344 16.552 1.00 0.00 H new ATOM 0 HB3 LYS A 135 4.656 -38.451 17.482 1.00 0.00 H new ATOM 0 HG2 LYS A 135 3.444 -40.593 17.470 1.00 0.00 H new ATOM 0 HG3 LYS A 135 3.592 -39.954 19.095 1.00 0.00 H new ATOM 0 HD2 LYS A 135 1.139 -39.178 17.561 1.00 0.00 H new ATOM 0 HD3 LYS A 135 1.254 -40.851 18.070 1.00 0.00 H new ATOM 0 HE2 LYS A 135 2.056 -39.145 20.267 1.00 0.00 H new ATOM 0 HE3 LYS A 135 0.521 -38.578 19.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 0.045 -40.196 21.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 -0.255 -40.951 19.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 1.168 -41.302 20.634 1.00 0.00 H new