USER MOD reduce.3.24.130724 H: found=0, std=0, add=1288, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 1292 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: B 44 THR OG1 : rot 6:sc= 1.64 USER MOD Set 1.2: D 53 THR OG1 : rot 56:sc= -1.51! USER MOD Set 2.1: B 45 TYR OH : rot 180:sc= 0.714 USER MOD Set 2.2: D 50 LYS NZ :NH3+ 160:sc= 1.85 (180deg=0.145) USER MOD Set 3.1: A 2 GLN : amide:sc= -2.23 K(o=-4.3,f=-5.2!) USER MOD Set 3.2: D 49 THR OG1 : rot -170:sc= -2.1 USER MOD Set 4.1: A 50 LYS NZ :NH3+ 148:sc= 2.04 (180deg=0.192) USER MOD Set 4.2: C 45 TYR OH : rot 180:sc= 0.641 USER MOD Set 5.1: B 53 THR OG1 : rot 58:sc= -1.56! USER MOD Set 5.2: D 44 THR OG1 : rot -4:sc= 1.55 USER MOD Set 6.1: B 50 LYS NZ :NH3+ 146:sc= 1.97 (180deg=0.143) USER MOD Set 6.2: D 45 TYR OH : rot 180:sc= 0.625 USER MOD Set 7.1: B 49 THR OG1 : rot -170:sc= -2.35 USER MOD Set 7.2: C 2 GLN : amide:sc= -2.09 K(o=-4.4,f=-5.6!) USER MOD Set 8.1: B 2 GLN : amide:sc= -2.3 K(o=-4.7,f=-5.4!) USER MOD Set 8.2: C 49 THR OG1 : rot -170:sc= -2.38 USER MOD Set 9.1: A 53 THR OG1 : rot 62:sc= -1.62 USER MOD Set 9.2: C 44 THR OG1 : rot 6:sc= 1.6 USER MOD Set10.1: A 49 THR OG1 : rot -170:sc= -2.34 USER MOD Set10.2: D 2 GLN : amide:sc= -2.24 K(o=-4.6,f=-5.3!) USER MOD Set11.1: A 45 TYR OH : rot 180:sc= 0.622 USER MOD Set11.2: C 50 LYS NZ :NH3+ 159:sc= 2 (180deg=0.158) USER MOD Set12.1: A 44 THR OG1 : rot -0:sc= 1.57 USER MOD Set12.2: C 53 THR OG1 : rot 58:sc= -1.45 USER MOD Single : A 1 MET CE :methyl -134:sc= -1.67 (180deg=-3.81!) USER MOD Single : A 1 MET N :NH3+ -147:sc= 1.22 (180deg=0.439) USER MOD Single : A 3 TYR OH : rot -69:sc= -2.26! USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.135 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -0.0794 X(o=-0.079,f=-0.079) USER MOD Single : A 35 ASN : amide:sc= -3.55 K(o=-3.6,f=-1.9) USER MOD Single : A 37 ASN : amide:sc= -6.06! C(o=-6.1!,f=-11!) USER MOD Single : A 51 THR OG1 : rot 37:sc= -1.39! USER MOD Single : A 55 THR OG1 : rot -170:sc= -0.151 USER MOD Single : B 1 MET CE :methyl -135:sc= -1.83 (180deg=-4.02!) USER MOD Single : B 1 MET N :NH3+ -148:sc= 1.16 (180deg=0.41) USER MOD Single : B 3 TYR OH : rot -57:sc= -2.04! USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 25 THR OG1 : rot 180:sc= -0.117 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 GLN : amide:sc= -0.0614 X(o=-0.061,f=-0.061) USER MOD Single : B 35 ASN : amide:sc= -3.63 K(o=-3.6,f=-1.8) USER MOD Single : B 37 ASN : amide:sc= -5.89! C(o=-5.9!,f=-11!) USER MOD Single : B 51 THR OG1 : rot 40:sc= -1.57! USER MOD Single : B 55 THR OG1 : rot 180:sc= -0.124 USER MOD Single : C 1 MET CE :methyl -137:sc= -1.66 (180deg=-3.78!) USER MOD Single : C 1 MET N :NH3+ -147:sc= 1.21 (180deg=0.416) USER MOD Single : C 3 TYR OH : rot -64:sc= -1.62! USER MOD Single : C 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 25 THR OG1 : rot 180:sc= -0.124 USER MOD Single : C 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 32 GLN : amide:sc= -0.0883 X(o=-0.088,f=-0.088) USER MOD Single : C 35 ASN : amide:sc= -3.44! K(o=-3.4!,f=-1.9) USER MOD Single : C 37 ASN : amide:sc= -5.69! C(o=-5.7!,f=-11!) USER MOD Single : C 51 THR OG1 : rot 41:sc= -1.34! USER MOD Single : C 55 THR OG1 : rot -170:sc= -0.161 USER MOD Single : D 1 MET CE :methyl -140:sc= -1.8 (180deg=-3.94!) USER MOD Single : D 1 MET N :NH3+ -145:sc= 1.16 (180deg=0.356) USER MOD Single : D 3 TYR OH : rot -57:sc= -1.95! USER MOD Single : D 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 25 THR OG1 : rot 180:sc= -0.134 USER MOD Single : D 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 32 GLN : amide:sc= -0.0799 X(o=-0.08,f=-0.08) USER MOD Single : D 35 ASN : amide:sc= -3.41 K(o=-3.4,f=-1.8) USER MOD Single : D 37 ASN : amide:sc= -5.99! C(o=-6!,f=-11!) USER MOD Single : D 51 THR OG1 : rot 40:sc= -1.38! USER MOD Single : D 55 THR OG1 : rot 180:sc= -0.101 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.394 20.286 -0.488 1.00 0.00 N ATOM 2 CA MET A 1 9.548 19.952 0.686 1.00 0.00 C ATOM 3 C MET A 1 8.085 19.791 0.285 1.00 0.00 C ATOM 4 O MET A 1 7.427 20.757 -0.101 1.00 0.00 O ATOM 5 CB MET A 1 9.693 21.066 1.725 1.00 0.00 C ATOM 6 CG MET A 1 9.067 20.731 3.070 1.00 0.00 C ATOM 7 SD MET A 1 10.053 19.560 4.023 1.00 0.00 S ATOM 8 CE MET A 1 9.384 18.004 3.443 1.00 0.00 C ATOM 0 H1 MET A 1 11.337 19.865 -0.367 1.00 0.00 H new ATOM 0 H2 MET A 1 9.954 19.908 -1.351 1.00 0.00 H new ATOM 0 H3 MET A 1 10.484 21.319 -0.569 1.00 0.00 H new ATOM 0 HA MET A 1 9.878 19.002 1.106 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.752 21.280 1.870 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.234 21.975 1.337 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.941 21.648 3.646 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.072 20.316 2.910 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.193 17.350 4.294 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.452 18.186 2.908 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.100 17.527 2.773 1.00 0.00 H new ATOM 20 N GLN A 2 7.580 18.568 0.398 1.00 0.00 N ATOM 21 CA GLN A 2 6.189 18.284 0.064 1.00 0.00 C ATOM 22 C GLN A 2 5.315 18.422 1.305 1.00 0.00 C ATOM 23 O GLN A 2 5.591 17.812 2.338 1.00 0.00 O ATOM 24 CB GLN A 2 6.048 16.882 -0.533 1.00 0.00 C ATOM 25 CG GLN A 2 6.413 15.767 0.431 1.00 0.00 C ATOM 26 CD GLN A 2 7.063 14.588 -0.268 1.00 0.00 C ATOM 27 OE1 GLN A 2 6.516 13.486 -0.291 1.00 0.00 O ATOM 28 NE2 GLN A 2 8.238 14.817 -0.846 1.00 0.00 N ATOM 0 H GLN A 2 8.112 17.758 0.718 1.00 0.00 H new ATOM 0 HA GLN A 2 5.859 19.006 -0.683 1.00 0.00 H new ATOM 0 HB2 GLN A 2 5.020 16.740 -0.865 1.00 0.00 H new ATOM 0 HB3 GLN A 2 6.682 16.808 -1.417 1.00 0.00 H new ATOM 0 HG2 GLN A 2 7.092 16.155 1.191 1.00 0.00 H new ATOM 0 HG3 GLN A 2 5.515 15.429 0.948 1.00 0.00 H new ATOM 0 HE21 GLN A 2 8.655 15.747 -0.802 1.00 0.00 H new ATOM 0 HE22 GLN A 2 8.722 14.063 -1.333 1.00 0.00 H new ATOM 37 N TYR A 3 4.276 19.246 1.209 1.00 0.00 N ATOM 38 CA TYR A 3 3.388 19.478 2.342 1.00 0.00 C ATOM 39 C TYR A 3 2.010 18.859 2.139 1.00 0.00 C ATOM 40 O TYR A 3 1.398 18.991 1.076 1.00 0.00 O ATOM 41 CB TYR A 3 3.246 20.978 2.598 1.00 0.00 C ATOM 42 CG TYR A 3 4.406 21.572 3.365 1.00 0.00 C ATOM 43 CD1 TYR A 3 4.408 21.589 4.753 1.00 0.00 C ATOM 44 CD2 TYR A 3 5.500 22.111 2.700 1.00 0.00 C ATOM 45 CE1 TYR A 3 5.467 22.129 5.459 1.00 0.00 C ATOM 46 CE2 TYR A 3 6.563 22.652 3.398 1.00 0.00 C ATOM 47 CZ TYR A 3 6.541 22.658 4.777 1.00 0.00 C ATOM 48 OH TYR A 3 7.598 23.196 5.475 1.00 0.00 O ATOM 0 H TYR A 3 4.030 19.761 0.364 1.00 0.00 H new ATOM 0 HA TYR A 3 3.840 18.993 3.207 1.00 0.00 H new ATOM 0 HB2 TYR A 3 3.150 21.494 1.643 1.00 0.00 H new ATOM 0 HB3 TYR A 3 2.324 21.158 3.151 1.00 0.00 H new ATOM 0 HD1 TYR A 3 3.568 21.173 5.290 1.00 0.00 H new ATOM 0 HD2 TYR A 3 5.520 22.107 1.620 1.00 0.00 H new ATOM 0 HE1 TYR A 3 5.452 22.136 6.539 1.00 0.00 H new ATOM 0 HE2 TYR A 3 7.406 23.068 2.867 1.00 0.00 H new ATOM 0 HH TYR A 3 7.310 24.019 5.922 1.00 0.00 H new ATOM 58 N LYS A 4 1.534 18.192 3.185 1.00 0.00 N ATOM 59 CA LYS A 4 0.226 17.549 3.168 1.00 0.00 C ATOM 60 C LYS A 4 -0.767 18.336 4.018 1.00 0.00 C ATOM 61 O LYS A 4 -0.504 18.630 5.185 1.00 0.00 O ATOM 62 CB LYS A 4 0.330 16.112 3.687 1.00 0.00 C ATOM 63 CG LYS A 4 -0.683 15.165 3.065 1.00 0.00 C ATOM 64 CD LYS A 4 -0.663 13.803 3.741 1.00 0.00 C ATOM 65 CE LYS A 4 -1.496 13.800 5.013 1.00 0.00 C ATOM 66 NZ LYS A 4 -1.750 12.419 5.507 1.00 0.00 N ATOM 0 H LYS A 4 2.041 18.082 4.063 1.00 0.00 H new ATOM 0 HA LYS A 4 -0.131 17.528 2.138 1.00 0.00 H new ATOM 0 HB2 LYS A 4 1.334 15.736 3.491 1.00 0.00 H new ATOM 0 HB3 LYS A 4 0.196 16.115 4.769 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -1.681 15.596 3.143 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -0.468 15.048 2.003 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -1.045 13.049 3.053 1.00 0.00 H new ATOM 0 HD3 LYS A 4 0.365 13.528 3.977 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -0.982 14.373 5.785 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -2.447 14.299 4.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -2.321 12.460 6.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -2.263 11.879 4.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -0.844 11.951 5.710 1.00 0.00 H new ATOM 80 N VAL A 5 -1.907 18.680 3.426 1.00 0.00 N ATOM 81 CA VAL A 5 -2.933 19.441 4.135 1.00 0.00 C ATOM 82 C VAL A 5 -4.332 18.934 3.800 1.00 0.00 C ATOM 83 O VAL A 5 -4.682 18.777 2.630 1.00 0.00 O ATOM 84 CB VAL A 5 -2.851 20.943 3.800 1.00 0.00 C ATOM 85 CG1 VAL A 5 -3.792 21.743 4.687 1.00 0.00 C ATOM 86 CG2 VAL A 5 -1.422 21.445 3.940 1.00 0.00 C ATOM 0 H VAL A 5 -2.144 18.446 2.462 1.00 0.00 H new ATOM 0 HA VAL A 5 -2.746 19.301 5.200 1.00 0.00 H new ATOM 0 HB VAL A 5 -3.161 21.080 2.764 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.719 22.801 4.434 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -4.816 21.403 4.531 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -3.517 21.600 5.732 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.384 22.507 3.699 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -1.082 21.293 4.964 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -0.775 20.895 3.257 1.00 0.00 H new ATOM 96 N ILE A 6 -5.130 18.684 4.835 1.00 0.00 N ATOM 97 CA ILE A 6 -6.494 18.201 4.654 1.00 0.00 C ATOM 98 C ILE A 6 -7.499 19.348 4.723 1.00 0.00 C ATOM 99 O ILE A 6 -7.442 20.179 5.630 1.00 0.00 O ATOM 100 CB ILE A 6 -6.868 17.146 5.716 1.00 0.00 C ATOM 101 CG1 ILE A 6 -5.719 16.155 5.922 1.00 0.00 C ATOM 102 CG2 ILE A 6 -8.136 16.412 5.306 1.00 0.00 C ATOM 103 CD1 ILE A 6 -5.924 15.230 7.103 1.00 0.00 C ATOM 0 H ILE A 6 -4.854 18.809 5.809 1.00 0.00 H new ATOM 0 HA ILE A 6 -6.534 17.742 3.666 1.00 0.00 H new ATOM 0 HB ILE A 6 -7.051 17.658 6.661 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.599 15.557 5.019 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -4.792 16.710 6.062 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -8.388 15.671 6.064 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -8.954 17.125 5.209 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -7.975 15.913 4.350 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -5.072 14.556 7.189 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -6.014 15.819 8.015 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -6.834 14.648 6.956 1.00 0.00 H new ATOM 115 N LEU A 7 -8.425 19.383 3.769 1.00 0.00 N ATOM 116 CA LEU A 7 -9.449 20.421 3.735 1.00 0.00 C ATOM 117 C LEU A 7 -10.821 19.804 3.471 1.00 0.00 C ATOM 118 O LEU A 7 -11.036 19.162 2.443 1.00 0.00 O ATOM 119 CB LEU A 7 -9.123 21.469 2.664 1.00 0.00 C ATOM 120 CG LEU A 7 -8.378 22.708 3.175 1.00 0.00 C ATOM 121 CD1 LEU A 7 -6.892 22.600 2.872 1.00 0.00 C ATOM 122 CD2 LEU A 7 -8.956 23.979 2.562 1.00 0.00 C ATOM 0 H LEU A 7 -8.487 18.705 3.010 1.00 0.00 H new ATOM 0 HA LEU A 7 -9.468 20.916 4.706 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.522 20.997 1.887 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -10.054 21.790 2.196 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.508 22.761 4.256 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.380 23.488 3.242 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.484 21.716 3.362 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.745 22.519 1.795 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.412 24.845 2.939 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -8.861 23.935 1.477 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -10.009 24.067 2.831 1.00 0.00 H new ATOM 337 N ASP A 22 -12.461 24.861 2.591 1.00 0.00 N ATOM 338 CA ASP A 22 -12.969 24.375 1.314 1.00 0.00 C ATOM 339 C ASP A 22 -11.835 24.132 0.330 1.00 0.00 C ATOM 340 O ASP A 22 -10.852 24.871 0.295 1.00 0.00 O ATOM 341 CB ASP A 22 -13.964 25.376 0.726 1.00 0.00 C ATOM 342 CG ASP A 22 -14.609 24.871 -0.550 1.00 0.00 C ATOM 343 OD1 ASP A 22 -13.988 25.011 -1.625 1.00 0.00 O ATOM 344 OD2 ASP A 22 -15.735 24.337 -0.476 1.00 0.00 O ATOM 0 HA ASP A 22 -13.476 23.427 1.492 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -14.739 25.588 1.462 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -13.452 26.316 0.523 1.00 0.00 H new ATOM 349 N ALA A 23 -11.987 23.087 -0.467 1.00 0.00 N ATOM 350 CA ALA A 23 -10.994 22.723 -1.463 1.00 0.00 C ATOM 351 C ALA A 23 -10.607 23.922 -2.328 1.00 0.00 C ATOM 352 O ALA A 23 -9.428 24.143 -2.608 1.00 0.00 O ATOM 353 CB ALA A 23 -11.539 21.591 -2.316 1.00 0.00 C ATOM 0 H ALA A 23 -12.799 22.470 -0.442 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.088 22.391 -0.956 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -10.799 21.312 -3.066 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -11.756 20.731 -1.683 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -12.453 21.917 -2.812 1.00 0.00 H new ATOM 359 N ALA A 24 -11.606 24.698 -2.741 1.00 0.00 N ATOM 360 CA ALA A 24 -11.371 25.879 -3.565 1.00 0.00 C ATOM 361 C ALA A 24 -10.611 26.950 -2.786 1.00 0.00 C ATOM 362 O ALA A 24 -9.819 27.702 -3.354 1.00 0.00 O ATOM 363 CB ALA A 24 -12.691 26.435 -4.078 1.00 0.00 C ATOM 0 H ALA A 24 -12.587 24.529 -2.518 1.00 0.00 H new ATOM 0 HA ALA A 24 -10.758 25.582 -4.416 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -12.501 27.316 -4.691 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -13.196 25.678 -4.677 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -13.323 26.710 -3.233 1.00 0.00 H new ATOM 369 N THR A 25 -10.858 27.009 -1.481 1.00 0.00 N ATOM 370 CA THR A 25 -10.199 27.984 -0.616 1.00 0.00 C ATOM 371 C THR A 25 -8.694 27.740 -0.592 1.00 0.00 C ATOM 372 O THR A 25 -7.900 28.679 -0.646 1.00 0.00 O ATOM 373 CB THR A 25 -10.781 27.904 0.800 1.00 0.00 C ATOM 374 OG1 THR A 25 -12.124 28.355 0.814 1.00 0.00 O ATOM 375 CG2 THR A 25 -10.019 28.717 1.826 1.00 0.00 C ATOM 0 H THR A 25 -11.511 26.392 -0.998 1.00 0.00 H new ATOM 0 HA THR A 25 -10.377 28.984 -1.011 1.00 0.00 H new ATOM 0 HB THR A 25 -10.705 26.852 1.074 1.00 0.00 H new ATOM 0 HG1 THR A 25 -12.480 28.295 1.725 1.00 0.00 H new ATOM 0 HG21 THR A 25 -10.493 28.608 2.801 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.990 28.361 1.881 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.025 29.767 1.535 1.00 0.00 H new ATOM 383 N PHE A 26 -8.312 26.470 -0.527 1.00 0.00 N ATOM 384 CA PHE A 26 -6.903 26.098 -0.514 1.00 0.00 C ATOM 385 C PHE A 26 -6.226 26.470 -1.831 1.00 0.00 C ATOM 386 O PHE A 26 -5.200 27.149 -1.846 1.00 0.00 O ATOM 387 CB PHE A 26 -6.747 24.597 -0.258 1.00 0.00 C ATOM 388 CG PHE A 26 -5.314 24.166 -0.117 1.00 0.00 C ATOM 389 CD1 PHE A 26 -4.584 23.774 -1.227 1.00 0.00 C ATOM 390 CD2 PHE A 26 -4.700 24.157 1.124 1.00 0.00 C ATOM 391 CE1 PHE A 26 -3.265 23.381 -1.100 1.00 0.00 C ATOM 392 CE2 PHE A 26 -3.381 23.765 1.257 1.00 0.00 C ATOM 393 CZ PHE A 26 -2.663 23.376 0.143 1.00 0.00 C ATOM 0 H PHE A 26 -8.958 25.682 -0.483 1.00 0.00 H new ATOM 0 HA PHE A 26 -6.420 26.650 0.293 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -7.290 24.331 0.649 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -7.206 24.045 -1.078 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -5.050 23.775 -2.201 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -5.258 24.460 1.998 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -2.705 23.078 -1.972 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.913 23.763 2.230 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.633 23.068 0.244 1.00 0.00 H new ATOM 403 N GLU A 27 -6.807 26.009 -2.935 1.00 0.00 N ATOM 404 CA GLU A 27 -6.264 26.273 -4.265 1.00 0.00 C ATOM 405 C GLU A 27 -6.062 27.767 -4.517 1.00 0.00 C ATOM 406 O GLU A 27 -5.007 28.185 -4.992 1.00 0.00 O ATOM 407 CB GLU A 27 -7.189 25.690 -5.335 1.00 0.00 C ATOM 408 CG GLU A 27 -7.289 24.173 -5.294 1.00 0.00 C ATOM 409 CD GLU A 27 -8.500 23.648 -6.040 1.00 0.00 C ATOM 410 OE1 GLU A 27 -8.589 23.880 -7.264 1.00 0.00 O ATOM 411 OE2 GLU A 27 -9.358 23.005 -5.400 1.00 0.00 O ATOM 0 H GLU A 27 -7.659 25.448 -2.935 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.287 25.792 -4.319 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -8.185 26.115 -5.212 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.831 25.996 -6.318 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -6.386 23.741 -5.725 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -7.335 23.844 -4.256 1.00 0.00 H new ATOM 418 N LYS A 28 -7.087 28.562 -4.230 1.00 0.00 N ATOM 419 CA LYS A 28 -7.025 30.003 -4.461 1.00 0.00 C ATOM 420 C LYS A 28 -5.992 30.690 -3.568 1.00 0.00 C ATOM 421 O LYS A 28 -5.160 31.456 -4.055 1.00 0.00 O ATOM 422 CB LYS A 28 -8.400 30.633 -4.237 1.00 0.00 C ATOM 423 CG LYS A 28 -8.464 32.104 -4.611 1.00 0.00 C ATOM 424 CD LYS A 28 -9.840 32.691 -4.336 1.00 0.00 C ATOM 425 CE LYS A 28 -9.995 33.084 -2.877 1.00 0.00 C ATOM 426 NZ LYS A 28 -11.323 33.701 -2.606 1.00 0.00 N ATOM 0 H LYS A 28 -7.970 28.235 -3.838 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.715 30.149 -5.496 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.140 30.086 -4.821 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -8.675 30.521 -3.188 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.712 32.657 -4.047 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.221 32.223 -5.667 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.997 33.565 -4.968 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -10.607 31.963 -4.602 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.869 32.203 -2.248 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.206 33.785 -2.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.389 33.955 -1.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -11.433 34.557 -3.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -12.075 33.023 -2.842 1.00 0.00 H new ATOM 440 N VAL A 29 -6.047 30.426 -2.266 1.00 0.00 N ATOM 441 CA VAL A 29 -5.111 31.036 -1.325 1.00 0.00 C ATOM 442 C VAL A 29 -3.666 30.647 -1.622 1.00 0.00 C ATOM 443 O VAL A 29 -2.758 31.469 -1.507 1.00 0.00 O ATOM 444 CB VAL A 29 -5.439 30.645 0.130 1.00 0.00 C ATOM 445 CG1 VAL A 29 -4.461 31.302 1.097 1.00 0.00 C ATOM 446 CG2 VAL A 29 -6.873 31.018 0.475 1.00 0.00 C ATOM 0 H VAL A 29 -6.727 29.797 -1.839 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.220 32.114 -1.447 1.00 0.00 H new ATOM 0 HB VAL A 29 -5.336 29.564 0.226 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -4.710 31.013 2.118 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.447 30.977 0.865 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.526 32.386 1.000 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -7.085 30.734 1.506 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -7.007 32.094 0.360 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -7.556 30.494 -0.193 1.00 0.00 H new ATOM 456 N VAL A 30 -3.457 29.388 -1.989 1.00 0.00 N ATOM 457 CA VAL A 30 -2.117 28.891 -2.282 1.00 0.00 C ATOM 458 C VAL A 30 -1.554 29.501 -3.561 1.00 0.00 C ATOM 459 O VAL A 30 -0.402 29.934 -3.590 1.00 0.00 O ATOM 460 CB VAL A 30 -2.095 27.351 -2.380 1.00 0.00 C ATOM 461 CG1 VAL A 30 -0.694 26.840 -2.684 1.00 0.00 C ATOM 462 CG2 VAL A 30 -2.618 26.736 -1.091 1.00 0.00 C ATOM 0 H VAL A 30 -4.197 28.693 -2.091 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.482 29.196 -1.450 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.745 27.053 -3.202 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.709 25.752 -2.747 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.354 27.254 -3.633 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.014 27.148 -1.890 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.598 25.649 -1.172 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.990 27.050 -0.257 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.642 27.068 -0.919 1.00 0.00 H new ATOM 472 N LYS A 31 -2.359 29.545 -4.616 1.00 0.00 N ATOM 473 CA LYS A 31 -1.914 30.118 -5.879 1.00 0.00 C ATOM 474 C LYS A 31 -1.628 31.609 -5.723 1.00 0.00 C ATOM 475 O LYS A 31 -0.609 32.111 -6.190 1.00 0.00 O ATOM 476 CB LYS A 31 -2.971 29.901 -6.964 1.00 0.00 C ATOM 477 CG LYS A 31 -2.487 30.234 -8.366 1.00 0.00 C ATOM 478 CD LYS A 31 -3.563 29.964 -9.405 1.00 0.00 C ATOM 479 CE LYS A 31 -3.194 30.556 -10.756 1.00 0.00 C ATOM 480 NZ LYS A 31 -3.820 29.807 -11.881 1.00 0.00 N ATOM 0 H LYS A 31 -3.316 29.193 -4.622 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.993 29.615 -6.175 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.296 28.861 -6.939 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -3.844 30.513 -6.736 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.191 31.282 -8.411 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.601 29.643 -8.596 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.711 28.889 -9.506 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.510 30.386 -9.068 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.510 31.599 -10.794 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.110 30.547 -10.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.544 30.242 -12.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.499 28.818 -11.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.855 29.837 -11.785 1.00 0.00 H new ATOM 494 N GLN A 32 -2.537 32.308 -5.052 1.00 0.00 N ATOM 495 CA GLN A 32 -2.388 33.739 -4.823 1.00 0.00 C ATOM 496 C GLN A 32 -1.173 34.038 -3.948 1.00 0.00 C ATOM 497 O GLN A 32 -0.409 34.962 -4.228 1.00 0.00 O ATOM 498 CB GLN A 32 -3.651 34.307 -4.175 1.00 0.00 C ATOM 499 CG GLN A 32 -3.689 35.825 -4.150 1.00 0.00 C ATOM 500 CD GLN A 32 -3.789 36.428 -5.538 1.00 0.00 C ATOM 501 OE1 GLN A 32 -4.734 36.156 -6.279 1.00 0.00 O ATOM 502 NE2 GLN A 32 -2.810 37.250 -5.899 1.00 0.00 N ATOM 0 H GLN A 32 -3.386 31.905 -4.657 1.00 0.00 H new ATOM 0 HA GLN A 32 -2.235 34.217 -5.791 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -4.524 33.938 -4.714 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -3.726 33.933 -3.154 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -4.539 36.154 -3.553 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -2.791 36.199 -3.659 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -2.046 37.448 -5.253 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -2.823 37.684 -6.822 1.00 0.00 H new ATOM 511 N PHE A 33 -0.995 33.247 -2.893 1.00 0.00 N ATOM 512 CA PHE A 33 0.125 33.408 -1.972 1.00 0.00 C ATOM 513 C PHE A 33 1.478 33.083 -2.609 1.00 0.00 C ATOM 514 O PHE A 33 2.430 33.850 -2.464 1.00 0.00 O ATOM 515 CB PHE A 33 -0.154 32.571 -0.713 1.00 0.00 C ATOM 516 CG PHE A 33 1.050 32.148 0.085 1.00 0.00 C ATOM 517 CD1 PHE A 33 1.949 33.067 0.603 1.00 0.00 C ATOM 518 CD2 PHE A 33 1.246 30.803 0.347 1.00 0.00 C ATOM 519 CE1 PHE A 33 3.033 32.643 1.357 1.00 0.00 C ATOM 520 CE2 PHE A 33 2.321 30.374 1.097 1.00 0.00 C ATOM 521 CZ PHE A 33 3.217 31.292 1.602 1.00 0.00 C ATOM 0 H PHE A 33 -1.622 32.479 -2.654 1.00 0.00 H new ATOM 0 HA PHE A 33 0.204 34.459 -1.695 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.813 33.143 -0.061 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.699 31.675 -1.011 1.00 0.00 H new ATOM 0 HD1 PHE A 33 1.804 34.121 0.418 1.00 0.00 H new ATOM 0 HD2 PHE A 33 0.546 30.078 -0.042 1.00 0.00 H new ATOM 0 HE1 PHE A 33 3.732 33.365 1.752 1.00 0.00 H new ATOM 0 HE2 PHE A 33 2.461 29.320 1.288 1.00 0.00 H new ATOM 0 HZ PHE A 33 4.061 30.958 2.188 1.00 0.00 H new ATOM 531 N PHE A 34 1.571 31.958 -3.302 1.00 0.00 N ATOM 532 CA PHE A 34 2.826 31.567 -3.936 1.00 0.00 C ATOM 533 C PHE A 34 3.098 32.321 -5.245 1.00 0.00 C ATOM 534 O PHE A 34 4.252 32.594 -5.572 1.00 0.00 O ATOM 535 CB PHE A 34 2.883 30.052 -4.128 1.00 0.00 C ATOM 536 CG PHE A 34 3.188 29.340 -2.838 1.00 0.00 C ATOM 537 CD1 PHE A 34 4.345 29.638 -2.136 1.00 0.00 C ATOM 538 CD2 PHE A 34 2.312 28.404 -2.311 1.00 0.00 C ATOM 539 CE1 PHE A 34 4.629 29.012 -0.938 1.00 0.00 C ATOM 540 CE2 PHE A 34 2.589 27.777 -1.108 1.00 0.00 C ATOM 541 CZ PHE A 34 3.750 28.082 -0.421 1.00 0.00 C ATOM 0 H PHE A 34 0.801 31.303 -3.440 1.00 0.00 H new ATOM 0 HA PHE A 34 3.630 31.856 -3.259 1.00 0.00 H new ATOM 0 HB2 PHE A 34 1.930 29.699 -4.522 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.645 29.807 -4.868 1.00 0.00 H new ATOM 0 HD1 PHE A 34 5.034 30.370 -2.531 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.405 28.161 -2.844 1.00 0.00 H new ATOM 0 HE1 PHE A 34 5.538 29.250 -0.406 1.00 0.00 H new ATOM 0 HE2 PHE A 34 1.899 27.050 -0.706 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.968 27.594 0.517 1.00 0.00 H new ATOM 551 N ASN A 35 2.047 32.676 -5.989 1.00 0.00 N ATOM 552 CA ASN A 35 2.230 33.417 -7.244 1.00 0.00 C ATOM 553 C ASN A 35 3.075 34.676 -7.025 1.00 0.00 C ATOM 554 O ASN A 35 3.782 35.129 -7.924 1.00 0.00 O ATOM 555 CB ASN A 35 0.878 33.782 -7.875 1.00 0.00 C ATOM 556 CG ASN A 35 0.267 32.652 -8.695 1.00 0.00 C ATOM 557 OD1 ASN A 35 -0.466 32.902 -9.652 1.00 0.00 O ATOM 558 ND2 ASN A 35 0.565 31.407 -8.339 1.00 0.00 N ATOM 0 H ASN A 35 1.077 32.468 -5.752 1.00 0.00 H new ATOM 0 HA ASN A 35 2.764 32.764 -7.934 1.00 0.00 H new ATOM 0 HB2 ASN A 35 0.182 34.065 -7.086 1.00 0.00 H new ATOM 0 HB3 ASN A 35 1.008 34.655 -8.514 1.00 0.00 H new ATOM 0 HD21 ASN A 35 0.183 30.621 -8.865 1.00 0.00 H new ATOM 0 HD22 ASN A 35 1.176 31.237 -7.540 1.00 0.00 H new ATOM 565 N ASP A 36 2.995 35.225 -5.819 1.00 0.00 N ATOM 566 CA ASP A 36 3.748 36.424 -5.443 1.00 0.00 C ATOM 567 C ASP A 36 5.264 36.206 -5.531 1.00 0.00 C ATOM 568 O ASP A 36 6.036 37.166 -5.546 1.00 0.00 O ATOM 569 CB ASP A 36 3.363 36.871 -4.030 1.00 0.00 C ATOM 570 CG ASP A 36 1.872 37.110 -3.887 1.00 0.00 C ATOM 571 OD1 ASP A 36 1.280 37.728 -4.798 1.00 0.00 O ATOM 572 OD2 ASP A 36 1.296 36.679 -2.867 1.00 0.00 O ATOM 0 H ASP A 36 2.408 34.855 -5.072 1.00 0.00 H new ATOM 0 HA ASP A 36 3.487 37.207 -6.156 1.00 0.00 H new ATOM 0 HB2 ASP A 36 3.677 36.112 -3.313 1.00 0.00 H new ATOM 0 HB3 ASP A 36 3.901 37.786 -3.782 1.00 0.00 H new ATOM 577 N ASN A 37 5.684 34.943 -5.573 1.00 0.00 N ATOM 578 CA ASN A 37 7.110 34.617 -5.646 1.00 0.00 C ATOM 579 C ASN A 37 7.537 34.180 -7.049 1.00 0.00 C ATOM 580 O ASN A 37 8.726 34.203 -7.371 1.00 0.00 O ATOM 581 CB ASN A 37 7.476 33.543 -4.618 1.00 0.00 C ATOM 582 CG ASN A 37 6.951 32.171 -4.988 1.00 0.00 C ATOM 583 OD1 ASN A 37 7.292 31.625 -6.038 1.00 0.00 O ATOM 584 ND2 ASN A 37 6.119 31.605 -4.124 1.00 0.00 N ATOM 0 H ASN A 37 5.064 34.133 -5.558 1.00 0.00 H new ATOM 0 HA ASN A 37 7.655 35.532 -5.412 1.00 0.00 H new ATOM 0 HB2 ASN A 37 8.560 33.497 -4.518 1.00 0.00 H new ATOM 0 HB3 ASN A 37 7.078 33.828 -3.644 1.00 0.00 H new ATOM 0 HD21 ASN A 37 5.734 30.680 -4.317 1.00 0.00 H new ATOM 0 HD22 ASN A 37 5.864 32.094 -3.266 1.00 0.00 H new ATOM 591 N GLY A 38 6.577 33.796 -7.888 1.00 0.00 N ATOM 592 CA GLY A 38 6.911 33.383 -9.244 1.00 0.00 C ATOM 593 C GLY A 38 6.343 32.025 -9.627 1.00 0.00 C ATOM 594 O GLY A 38 6.792 31.417 -10.599 1.00 0.00 O ATOM 0 H GLY A 38 5.584 33.763 -7.658 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.541 34.132 -9.944 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.996 33.356 -9.349 1.00 0.00 H new ATOM 598 N VAL A 39 5.358 31.547 -8.874 1.00 0.00 N ATOM 599 CA VAL A 39 4.740 30.254 -9.160 1.00 0.00 C ATOM 600 C VAL A 39 3.579 30.410 -10.138 1.00 0.00 C ATOM 601 O VAL A 39 2.844 31.396 -10.086 1.00 0.00 O ATOM 602 CB VAL A 39 4.228 29.575 -7.874 1.00 0.00 C ATOM 603 CG1 VAL A 39 3.738 28.164 -8.168 1.00 0.00 C ATOM 604 CG2 VAL A 39 5.317 29.557 -6.814 1.00 0.00 C ATOM 0 H VAL A 39 4.971 32.032 -8.064 1.00 0.00 H new ATOM 0 HA VAL A 39 5.510 29.626 -9.607 1.00 0.00 H new ATOM 0 HB VAL A 39 3.386 30.152 -7.492 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.381 27.703 -7.247 1.00 0.00 H new ATOM 0 HG12 VAL A 39 2.924 28.205 -8.892 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.557 27.572 -8.576 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.939 29.074 -5.913 1.00 0.00 H new ATOM 0 HG22 VAL A 39 6.179 29.004 -7.187 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.615 30.579 -6.581 1.00 0.00 H new ATOM 614 N ASP A 40 3.419 29.438 -11.032 1.00 0.00 N ATOM 615 CA ASP A 40 2.347 29.482 -12.020 1.00 0.00 C ATOM 616 C ASP A 40 1.943 28.076 -12.456 1.00 0.00 C ATOM 617 O ASP A 40 2.518 27.085 -12.006 1.00 0.00 O ATOM 618 CB ASP A 40 2.783 30.298 -13.239 1.00 0.00 C ATOM 619 CG ASP A 40 2.710 31.791 -12.991 1.00 0.00 C ATOM 620 OD1 ASP A 40 1.593 32.348 -13.044 1.00 0.00 O ATOM 621 OD2 ASP A 40 3.770 32.406 -12.747 1.00 0.00 O ATOM 0 H ASP A 40 4.016 28.613 -11.092 1.00 0.00 H new ATOM 0 HA ASP A 40 1.484 29.960 -11.557 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.804 30.027 -13.508 1.00 0.00 H new ATOM 0 HB3 ASP A 40 2.150 30.042 -14.089 1.00 0.00 H new ATOM 626 N GLY A 41 0.949 28.002 -13.336 1.00 0.00 N ATOM 627 CA GLY A 41 0.479 26.717 -13.822 1.00 0.00 C ATOM 628 C GLY A 41 -0.984 26.478 -13.500 1.00 0.00 C ATOM 629 O GLY A 41 -1.787 27.410 -13.509 1.00 0.00 O ATOM 0 H GLY A 41 0.460 28.810 -13.722 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.624 26.664 -14.901 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.080 25.922 -13.380 1.00 0.00 H new ATOM 633 N GLU A 42 -1.328 25.227 -13.214 1.00 0.00 N ATOM 634 CA GLU A 42 -2.704 24.871 -12.886 1.00 0.00 C ATOM 635 C GLU A 42 -2.748 23.679 -11.935 1.00 0.00 C ATOM 636 O GLU A 42 -1.802 22.895 -11.864 1.00 0.00 O ATOM 637 CB GLU A 42 -3.490 24.555 -14.160 1.00 0.00 C ATOM 638 CG GLU A 42 -3.663 25.754 -15.078 1.00 0.00 C ATOM 639 CD GLU A 42 -4.849 25.608 -16.011 1.00 0.00 C ATOM 640 OE1 GLU A 42 -5.960 25.319 -15.518 1.00 0.00 O ATOM 641 OE2 GLU A 42 -4.669 25.784 -17.234 1.00 0.00 O ATOM 0 H GLU A 42 -0.675 24.444 -13.203 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.164 25.725 -12.388 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.980 23.761 -14.705 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.473 24.173 -13.886 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.788 26.653 -14.475 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.756 25.889 -15.668 1.00 0.00 H new ATOM 648 N TRP A 43 -3.853 23.548 -11.209 1.00 0.00 N ATOM 649 CA TRP A 43 -4.020 22.450 -10.264 1.00 0.00 C ATOM 650 C TRP A 43 -4.273 21.138 -10.987 1.00 0.00 C ATOM 651 O TRP A 43 -5.226 21.010 -11.754 1.00 0.00 O ATOM 652 CB TRP A 43 -5.165 22.749 -9.296 1.00 0.00 C ATOM 653 CG TRP A 43 -4.790 23.730 -8.229 1.00 0.00 C ATOM 654 CD1 TRP A 43 -5.147 25.045 -8.163 1.00 0.00 C ATOM 655 CD2 TRP A 43 -3.978 23.475 -7.076 1.00 0.00 C ATOM 656 NE1 TRP A 43 -4.609 25.625 -7.041 1.00 0.00 N ATOM 657 CE2 TRP A 43 -3.888 24.682 -6.355 1.00 0.00 C ATOM 658 CE3 TRP A 43 -3.321 22.345 -6.582 1.00 0.00 C ATOM 659 CZ2 TRP A 43 -3.166 24.788 -5.169 1.00 0.00 C ATOM 660 CZ3 TRP A 43 -2.606 22.452 -5.404 1.00 0.00 C ATOM 661 CH2 TRP A 43 -2.533 23.666 -4.709 1.00 0.00 C ATOM 0 H TRP A 43 -4.646 24.188 -11.257 1.00 0.00 H new ATOM 0 HA TRP A 43 -3.094 22.352 -9.697 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -6.015 23.138 -9.857 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -5.490 21.819 -8.829 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -5.763 25.556 -8.888 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -4.727 26.599 -6.763 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -3.371 21.405 -7.111 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -3.108 25.723 -4.631 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -2.095 21.585 -5.013 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -1.966 23.717 -3.792 1.00 0.00 H new ATOM 672 N THR A 44 -3.410 20.165 -10.732 1.00 0.00 N ATOM 673 CA THR A 44 -3.532 18.857 -11.351 1.00 0.00 C ATOM 674 C THR A 44 -3.828 17.792 -10.303 1.00 0.00 C ATOM 675 O THR A 44 -3.236 17.780 -9.223 1.00 0.00 O ATOM 676 CB THR A 44 -2.252 18.504 -12.111 1.00 0.00 C ATOM 677 OG1 THR A 44 -1.150 18.415 -11.225 1.00 0.00 O ATOM 678 CG2 THR A 44 -1.898 19.513 -13.183 1.00 0.00 C ATOM 0 H THR A 44 -2.616 20.259 -10.098 1.00 0.00 H new ATOM 0 HA THR A 44 -4.362 18.890 -12.057 1.00 0.00 H new ATOM 0 HB THR A 44 -2.453 17.544 -12.587 1.00 0.00 H new ATOM 0 HG1 THR A 44 -1.449 18.604 -10.311 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.981 19.204 -13.684 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.708 19.570 -13.911 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.751 20.492 -12.727 1.00 0.00 H new ATOM 686 N TYR A 45 -4.734 16.890 -10.644 1.00 0.00 N ATOM 687 CA TYR A 45 -5.104 15.800 -9.749 1.00 0.00 C ATOM 688 C TYR A 45 -3.981 14.775 -9.654 1.00 0.00 C ATOM 689 O TYR A 45 -3.291 14.505 -10.637 1.00 0.00 O ATOM 690 CB TYR A 45 -6.398 15.130 -10.215 1.00 0.00 C ATOM 691 CG TYR A 45 -7.645 15.877 -9.798 1.00 0.00 C ATOM 692 CD1 TYR A 45 -8.229 15.642 -8.560 1.00 0.00 C ATOM 693 CD2 TYR A 45 -8.236 16.814 -10.635 1.00 0.00 C ATOM 694 CE1 TYR A 45 -9.367 16.319 -8.167 1.00 0.00 C ATOM 695 CE2 TYR A 45 -9.376 17.497 -10.249 1.00 0.00 C ATOM 696 CZ TYR A 45 -9.936 17.245 -9.014 1.00 0.00 C ATOM 697 OH TYR A 45 -11.070 17.921 -8.626 1.00 0.00 O ATOM 0 H TYR A 45 -5.229 16.889 -11.536 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.272 16.221 -8.758 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.382 15.042 -11.301 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -6.439 14.117 -9.814 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -7.786 14.917 -7.893 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -7.799 17.013 -11.602 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -9.809 16.124 -7.201 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -9.825 18.223 -10.911 1.00 0.00 H new ATOM 0 HH TYR A 45 -11.342 18.538 -9.337 1.00 0.00 H new ATOM 707 N ASP A 46 -3.799 14.210 -8.466 1.00 0.00 N ATOM 708 CA ASP A 46 -2.754 13.219 -8.247 1.00 0.00 C ATOM 709 C ASP A 46 -3.104 11.905 -8.938 1.00 0.00 C ATOM 710 O ASP A 46 -4.274 11.622 -9.197 1.00 0.00 O ATOM 711 CB ASP A 46 -2.558 12.973 -6.750 1.00 0.00 C ATOM 712 CG ASP A 46 -2.016 14.188 -6.026 1.00 0.00 C ATOM 713 OD1 ASP A 46 -2.515 15.303 -6.282 1.00 0.00 O ATOM 714 OD2 ASP A 46 -1.093 14.023 -5.200 1.00 0.00 O ATOM 0 H ASP A 46 -4.361 14.421 -7.641 1.00 0.00 H new ATOM 0 HA ASP A 46 -1.828 13.606 -8.672 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -3.510 12.685 -6.305 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -1.874 12.136 -6.610 1.00 0.00 H new ATOM 719 N ASP A 47 -2.086 11.103 -9.232 1.00 0.00 N ATOM 720 CA ASP A 47 -2.294 9.819 -9.890 1.00 0.00 C ATOM 721 C ASP A 47 -3.008 8.842 -8.958 1.00 0.00 C ATOM 722 O ASP A 47 -2.748 8.814 -7.755 1.00 0.00 O ATOM 723 CB ASP A 47 -0.957 9.231 -10.346 1.00 0.00 C ATOM 724 CG ASP A 47 -0.647 9.557 -11.794 1.00 0.00 C ATOM 725 OD1 ASP A 47 -1.175 8.860 -12.685 1.00 0.00 O ATOM 726 OD2 ASP A 47 0.124 10.509 -12.036 1.00 0.00 O ATOM 0 H ASP A 47 -1.111 11.319 -9.025 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.923 9.983 -10.765 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -0.159 9.615 -9.711 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -0.976 8.149 -10.216 1.00 0.00 H new ATOM 731 N ALA A 48 -3.915 8.049 -9.521 1.00 0.00 N ATOM 732 CA ALA A 48 -4.676 7.076 -8.743 1.00 0.00 C ATOM 733 C ALA A 48 -3.758 6.113 -7.996 1.00 0.00 C ATOM 734 O ALA A 48 -2.753 5.651 -8.535 1.00 0.00 O ATOM 735 CB ALA A 48 -5.626 6.306 -9.648 1.00 0.00 C ATOM 0 H ALA A 48 -4.141 8.061 -10.515 1.00 0.00 H new ATOM 0 HA ALA A 48 -5.256 7.624 -8.000 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -6.188 5.584 -9.056 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.318 7.001 -10.124 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -5.054 5.781 -10.413 1.00 0.00 H new ATOM 741 N THR A 49 -4.116 5.817 -6.750 1.00 0.00 N ATOM 742 CA THR A 49 -3.334 4.909 -5.918 1.00 0.00 C ATOM 743 C THR A 49 -4.219 3.820 -5.319 1.00 0.00 C ATOM 744 O THR A 49 -5.430 3.996 -5.183 1.00 0.00 O ATOM 745 CB THR A 49 -2.632 5.681 -4.800 1.00 0.00 C ATOM 746 OG1 THR A 49 -1.836 6.725 -5.332 1.00 0.00 O ATOM 747 CG2 THR A 49 -1.736 4.810 -3.944 1.00 0.00 C ATOM 0 H THR A 49 -4.946 6.195 -6.293 1.00 0.00 H new ATOM 0 HA THR A 49 -2.583 4.436 -6.551 1.00 0.00 H new ATOM 0 HB THR A 49 -3.433 6.076 -4.175 1.00 0.00 H new ATOM 0 HG1 THR A 49 -1.275 7.103 -4.623 1.00 0.00 H new ATOM 0 HG21 THR A 49 -1.268 5.419 -3.170 1.00 0.00 H new ATOM 0 HG22 THR A 49 -2.330 4.024 -3.478 1.00 0.00 H new ATOM 0 HG23 THR A 49 -0.964 4.359 -4.567 1.00 0.00 H new ATOM 755 N LYS A 50 -3.607 2.696 -4.960 1.00 0.00 N ATOM 756 CA LYS A 50 -4.343 1.581 -4.375 1.00 0.00 C ATOM 757 C LYS A 50 -3.883 1.321 -2.942 1.00 0.00 C ATOM 758 O LYS A 50 -2.689 1.350 -2.647 1.00 0.00 O ATOM 759 CB LYS A 50 -4.158 0.318 -5.221 1.00 0.00 C ATOM 760 CG LYS A 50 -5.372 -0.597 -5.220 1.00 0.00 C ATOM 761 CD LYS A 50 -5.678 -1.123 -6.615 1.00 0.00 C ATOM 762 CE LYS A 50 -6.560 -0.160 -7.392 1.00 0.00 C ATOM 763 NZ LYS A 50 -7.237 -0.826 -8.539 1.00 0.00 N ATOM 0 H LYS A 50 -2.605 2.533 -5.064 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.401 1.844 -4.358 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -3.932 0.608 -6.247 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -3.296 -0.235 -4.849 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -5.196 -1.435 -4.545 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -6.237 -0.055 -4.837 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -4.746 -1.283 -7.157 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -6.173 -2.091 -6.540 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -7.310 0.264 -6.724 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -5.956 0.669 -7.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -8.164 -0.383 -8.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -6.653 -0.725 -9.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -7.368 -1.836 -8.326 1.00 0.00 H new ATOM 777 N THR A 51 -4.843 1.070 -2.059 1.00 0.00 N ATOM 778 CA THR A 51 -4.547 0.807 -0.654 1.00 0.00 C ATOM 779 C THR A 51 -5.385 -0.366 -0.145 1.00 0.00 C ATOM 780 O THR A 51 -6.609 -0.371 -0.279 1.00 0.00 O ATOM 781 CB THR A 51 -4.801 2.071 0.179 1.00 0.00 C ATOM 782 OG1 THR A 51 -3.864 3.079 -0.156 1.00 0.00 O ATOM 783 CG2 THR A 51 -4.709 1.846 1.673 1.00 0.00 C ATOM 0 H THR A 51 -5.836 1.043 -2.291 1.00 0.00 H new ATOM 0 HA THR A 51 -3.496 0.536 -0.554 1.00 0.00 H new ATOM 0 HB THR A 51 -5.821 2.370 -0.060 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.679 3.047 -1.118 1.00 0.00 H new ATOM 0 HG21 THR A 51 -4.900 2.784 2.195 1.00 0.00 H new ATOM 0 HG22 THR A 51 -5.449 1.105 1.976 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.711 1.487 1.926 1.00 0.00 H new ATOM 791 N PHE A 52 -4.712 -1.362 0.430 1.00 0.00 N ATOM 792 CA PHE A 52 -5.386 -2.550 0.951 1.00 0.00 C ATOM 793 C PHE A 52 -5.985 -2.297 2.331 1.00 0.00 C ATOM 794 O PHE A 52 -5.282 -1.900 3.260 1.00 0.00 O ATOM 795 CB PHE A 52 -4.406 -3.724 1.022 1.00 0.00 C ATOM 796 CG PHE A 52 -5.058 -5.032 1.371 1.00 0.00 C ATOM 797 CD1 PHE A 52 -5.743 -5.758 0.410 1.00 0.00 C ATOM 798 CD2 PHE A 52 -4.985 -5.536 2.661 1.00 0.00 C ATOM 799 CE1 PHE A 52 -6.342 -6.963 0.728 1.00 0.00 C ATOM 800 CE2 PHE A 52 -5.582 -6.740 2.984 1.00 0.00 C ATOM 801 CZ PHE A 52 -6.262 -7.454 2.016 1.00 0.00 C ATOM 0 H PHE A 52 -3.699 -1.369 0.547 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.200 -2.793 0.268 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.902 -3.824 0.061 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -3.638 -3.501 1.763 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.810 -5.378 -0.599 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.456 -4.981 3.422 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -6.872 -7.520 -0.031 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.517 -7.122 3.992 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.730 -8.395 2.266 1.00 0.00 H new ATOM 811 N THR A 53 -7.283 -2.547 2.463 1.00 0.00 N ATOM 812 CA THR A 53 -7.970 -2.363 3.737 1.00 0.00 C ATOM 813 C THR A 53 -8.120 -3.702 4.455 1.00 0.00 C ATOM 814 O THR A 53 -8.698 -4.644 3.912 1.00 0.00 O ATOM 815 CB THR A 53 -9.343 -1.725 3.517 1.00 0.00 C ATOM 816 OG1 THR A 53 -9.215 -0.477 2.860 1.00 0.00 O ATOM 817 CG2 THR A 53 -10.108 -1.490 4.802 1.00 0.00 C ATOM 0 H THR A 53 -7.880 -2.877 1.705 1.00 0.00 H new ATOM 0 HA THR A 53 -7.373 -1.696 4.359 1.00 0.00 H new ATOM 0 HB THR A 53 -9.899 -2.438 2.908 1.00 0.00 H new ATOM 0 HG1 THR A 53 -8.808 -0.611 1.979 1.00 0.00 H new ATOM 0 HG21 THR A 53 -11.072 -1.036 4.574 1.00 0.00 H new ATOM 0 HG22 THR A 53 -10.266 -2.441 5.310 1.00 0.00 H new ATOM 0 HG23 THR A 53 -9.537 -0.824 5.449 1.00 0.00 H new ATOM 825 N VAL A 54 -7.589 -3.787 5.672 1.00 0.00 N ATOM 826 CA VAL A 54 -7.664 -5.020 6.450 1.00 0.00 C ATOM 827 C VAL A 54 -9.086 -5.281 6.931 1.00 0.00 C ATOM 828 O VAL A 54 -9.889 -4.358 7.061 1.00 0.00 O ATOM 829 CB VAL A 54 -6.728 -4.986 7.674 1.00 0.00 C ATOM 830 CG1 VAL A 54 -6.539 -6.386 8.237 1.00 0.00 C ATOM 831 CG2 VAL A 54 -5.385 -4.366 7.315 1.00 0.00 C ATOM 0 H VAL A 54 -7.104 -3.021 6.139 1.00 0.00 H new ATOM 0 HA VAL A 54 -7.347 -5.823 5.784 1.00 0.00 H new ATOM 0 HB VAL A 54 -7.192 -4.364 8.440 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.875 -6.344 9.101 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -7.505 -6.790 8.541 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.101 -7.029 7.474 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.743 -4.354 8.196 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.911 -4.954 6.529 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.538 -3.346 6.963 1.00 0.00 H new ATOM 841 N THR A 55 -9.390 -6.548 7.194 1.00 0.00 N ATOM 842 CA THR A 55 -10.715 -6.936 7.661 1.00 0.00 C ATOM 843 C THR A 55 -10.641 -8.181 8.538 1.00 0.00 C ATOM 844 O THR A 55 -10.841 -8.114 9.751 1.00 0.00 O ATOM 845 CB THR A 55 -11.642 -7.185 6.471 1.00 0.00 C ATOM 846 OG1 THR A 55 -11.710 -6.038 5.641 1.00 0.00 O ATOM 847 CG2 THR A 55 -13.056 -7.541 6.876 1.00 0.00 C ATOM 0 H THR A 55 -8.736 -7.324 7.091 1.00 0.00 H new ATOM 0 HA THR A 55 -11.117 -6.119 8.260 1.00 0.00 H new ATOM 0 HB THR A 55 -11.209 -8.033 5.941 1.00 0.00 H new ATOM 0 HG1 THR A 55 -12.422 -6.156 4.978 1.00 0.00 H new ATOM 0 HG21 THR A 55 -13.660 -7.704 5.983 1.00 0.00 H new ATOM 0 HG22 THR A 55 -13.044 -8.450 7.478 1.00 0.00 H new ATOM 0 HG23 THR A 55 -13.484 -6.725 7.459 1.00 0.00 H new ATOM 855 N GLU A 56 -10.352 -9.315 7.913 1.00 0.00 N ATOM 856 CA GLU A 56 -10.248 -10.582 8.631 1.00 0.00 C ATOM 857 C GLU A 56 -11.559 -10.920 9.334 1.00 0.00 C ATOM 858 O GLU A 56 -12.564 -10.226 9.077 1.00 0.00 O ATOM 859 CB GLU A 56 -9.109 -10.524 9.650 1.00 0.00 C ATOM 860 CG GLU A 56 -7.815 -9.961 9.085 1.00 0.00 C ATOM 861 CD GLU A 56 -6.856 -9.506 10.168 1.00 0.00 C ATOM 862 OE1 GLU A 56 -7.093 -8.432 10.758 1.00 0.00 O ATOM 863 OE2 GLU A 56 -5.866 -10.224 10.424 1.00 0.00 O ATOM 864 OXT GLU A 56 -11.568 -11.879 10.135 1.00 0.00 O ATOM 0 H GLU A 56 -10.185 -9.385 6.909 1.00 0.00 H new ATOM 0 HA GLU A 56 -10.035 -11.365 7.904 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.422 -9.914 10.497 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -8.923 -11.528 10.032 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.330 -10.720 8.471 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -8.044 -9.120 8.431 1.00 0.00 H new ATOM 872 N MET B 1 -10.212 16.538 1.840 1.00 0.00 N ATOM 873 CA MET B 1 -9.363 16.842 0.659 1.00 0.00 C ATOM 874 C MET B 1 -7.905 17.044 1.063 1.00 0.00 C ATOM 875 O MET B 1 -7.567 18.012 1.743 1.00 0.00 O ATOM 876 CB MET B 1 -9.905 18.103 -0.019 1.00 0.00 C ATOM 877 CG MET B 1 -9.271 18.387 -1.372 1.00 0.00 C ATOM 878 SD MET B 1 -9.884 17.295 -2.670 1.00 0.00 S ATOM 879 CE MET B 1 -8.738 15.927 -2.530 1.00 0.00 C ATOM 0 H1 MET B 1 -10.989 15.908 1.556 1.00 0.00 H new ATOM 0 H2 MET B 1 -9.637 16.072 2.570 1.00 0.00 H new ATOM 0 H3 MET B 1 -10.605 17.422 2.221 1.00 0.00 H new ATOM 0 HA MET B 1 -9.396 16.000 -0.032 1.00 0.00 H new ATOM 0 HB2 MET B 1 -10.983 18.002 -0.146 1.00 0.00 H new ATOM 0 HB3 MET B 1 -9.740 18.958 0.637 1.00 0.00 H new ATOM 0 HG2 MET B 1 -9.468 19.422 -1.651 1.00 0.00 H new ATOM 0 HG3 MET B 1 -8.189 18.278 -1.292 1.00 0.00 H new ATOM 0 HE1 MET B 1 -8.404 15.629 -3.524 1.00 0.00 H new ATOM 0 HE2 MET B 1 -7.878 16.233 -1.934 1.00 0.00 H new ATOM 0 HE3 MET B 1 -9.234 15.085 -2.046 1.00 0.00 H new ATOM 891 N GLN B 2 -7.048 16.130 0.624 1.00 0.00 N ATOM 892 CA GLN B 2 -5.622 16.214 0.925 1.00 0.00 C ATOM 893 C GLN B 2 -4.898 16.968 -0.182 1.00 0.00 C ATOM 894 O GLN B 2 -5.018 16.627 -1.359 1.00 0.00 O ATOM 895 CB GLN B 2 -5.021 14.818 1.101 1.00 0.00 C ATOM 896 CG GLN B 2 -5.068 13.967 -0.157 1.00 0.00 C ATOM 897 CD GLN B 2 -5.282 12.497 0.147 1.00 0.00 C ATOM 898 OE1 GLN B 2 -4.414 11.664 -0.115 1.00 0.00 O ATOM 899 NE2 GLN B 2 -6.443 12.170 0.703 1.00 0.00 N ATOM 0 H GLN B 2 -7.314 15.323 0.059 1.00 0.00 H new ATOM 0 HA GLN B 2 -5.498 16.757 1.862 1.00 0.00 H new ATOM 0 HB2 GLN B 2 -3.984 14.917 1.423 1.00 0.00 H new ATOM 0 HB3 GLN B 2 -5.555 14.301 1.898 1.00 0.00 H new ATOM 0 HG2 GLN B 2 -5.871 14.322 -0.803 1.00 0.00 H new ATOM 0 HG3 GLN B 2 -4.137 14.089 -0.710 1.00 0.00 H new ATOM 0 HE21 GLN B 2 -7.134 12.893 0.903 1.00 0.00 H new ATOM 0 HE22 GLN B 2 -6.643 11.196 0.930 1.00 0.00 H new ATOM 908 N TYR B 3 -4.164 18.011 0.195 1.00 0.00 N ATOM 909 CA TYR B 3 -3.448 18.824 -0.780 1.00 0.00 C ATOM 910 C TYR B 3 -1.936 18.637 -0.697 1.00 0.00 C ATOM 911 O TYR B 3 -1.350 18.643 0.387 1.00 0.00 O ATOM 912 CB TYR B 3 -3.798 20.301 -0.590 1.00 0.00 C ATOM 913 CG TYR B 3 -5.120 20.690 -1.207 1.00 0.00 C ATOM 914 CD1 TYR B 3 -5.196 21.101 -2.531 1.00 0.00 C ATOM 915 CD2 TYR B 3 -6.294 20.645 -0.467 1.00 0.00 C ATOM 916 CE1 TYR B 3 -6.403 21.457 -3.100 1.00 0.00 C ATOM 917 CE2 TYR B 3 -7.506 20.998 -1.028 1.00 0.00 C ATOM 918 CZ TYR B 3 -7.556 21.404 -2.344 1.00 0.00 C ATOM 919 OH TYR B 3 -8.760 21.756 -2.908 1.00 0.00 O ATOM 0 H TYR B 3 -4.050 18.311 1.163 1.00 0.00 H new ATOM 0 HA TYR B 3 -3.764 18.491 -1.769 1.00 0.00 H new ATOM 0 HB2 TYR B 3 -3.823 20.526 0.476 1.00 0.00 H new ATOM 0 HB3 TYR B 3 -3.008 20.913 -1.026 1.00 0.00 H new ATOM 0 HD1 TYR B 3 -4.296 21.143 -3.126 1.00 0.00 H new ATOM 0 HD2 TYR B 3 -6.259 20.329 0.565 1.00 0.00 H new ATOM 0 HE1 TYR B 3 -6.444 21.775 -4.131 1.00 0.00 H new ATOM 0 HE2 TYR B 3 -8.410 20.956 -0.438 1.00 0.00 H new ATOM 0 HH TYR B 3 -8.702 22.669 -3.259 1.00 0.00 H new ATOM 929 N LYS B 4 -1.325 18.483 -1.866 1.00 0.00 N ATOM 930 CA LYS B 4 0.119 18.304 -1.972 1.00 0.00 C ATOM 931 C LYS B 4 0.776 19.571 -2.513 1.00 0.00 C ATOM 932 O LYS B 4 0.380 20.090 -3.556 1.00 0.00 O ATOM 933 CB LYS B 4 0.443 17.119 -2.886 1.00 0.00 C ATOM 934 CG LYS B 4 1.732 16.400 -2.522 1.00 0.00 C ATOM 935 CD LYS B 4 2.101 15.355 -3.563 1.00 0.00 C ATOM 936 CE LYS B 4 2.838 15.974 -4.739 1.00 0.00 C ATOM 937 NZ LYS B 4 3.489 14.942 -5.594 1.00 0.00 N ATOM 0 H LYS B 4 -1.812 18.479 -2.762 1.00 0.00 H new ATOM 0 HA LYS B 4 0.513 18.101 -0.976 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -0.382 16.408 -2.850 1.00 0.00 H new ATOM 0 HB3 LYS B 4 0.513 17.473 -3.914 1.00 0.00 H new ATOM 0 HG2 LYS B 4 2.541 17.125 -2.430 1.00 0.00 H new ATOM 0 HG3 LYS B 4 1.621 15.922 -1.549 1.00 0.00 H new ATOM 0 HD2 LYS B 4 2.725 14.588 -3.104 1.00 0.00 H new ATOM 0 HD3 LYS B 4 1.197 14.860 -3.919 1.00 0.00 H new ATOM 0 HE2 LYS B 4 2.139 16.555 -5.340 1.00 0.00 H new ATOM 0 HE3 LYS B 4 3.593 16.668 -4.369 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 3.981 15.406 -6.384 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 4.175 14.404 -5.027 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 2.766 14.295 -5.968 1.00 0.00 H new ATOM 951 N VAL B 5 1.779 20.070 -1.794 1.00 0.00 N ATOM 952 CA VAL B 5 2.482 21.282 -2.205 1.00 0.00 C ATOM 953 C VAL B 5 3.984 21.166 -1.963 1.00 0.00 C ATOM 954 O VAL B 5 4.421 20.795 -0.874 1.00 0.00 O ATOM 955 CB VAL B 5 1.946 22.521 -1.462 1.00 0.00 C ATOM 956 CG1 VAL B 5 2.542 23.794 -2.043 1.00 0.00 C ATOM 957 CG2 VAL B 5 0.426 22.563 -1.520 1.00 0.00 C ATOM 0 H VAL B 5 2.122 19.655 -0.927 1.00 0.00 H new ATOM 0 HA VAL B 5 2.302 21.400 -3.274 1.00 0.00 H new ATOM 0 HB VAL B 5 2.246 22.451 -0.417 1.00 0.00 H new ATOM 0 HG11 VAL B 5 2.151 24.657 -1.505 1.00 0.00 H new ATOM 0 HG12 VAL B 5 3.627 23.766 -1.944 1.00 0.00 H new ATOM 0 HG13 VAL B 5 2.276 23.872 -3.097 1.00 0.00 H new ATOM 0 HG21 VAL B 5 0.066 23.445 -0.990 1.00 0.00 H new ATOM 0 HG22 VAL B 5 0.103 22.607 -2.560 1.00 0.00 H new ATOM 0 HG23 VAL B 5 0.019 21.667 -1.052 1.00 0.00 H new ATOM 967 N ILE B 6 4.771 21.490 -2.989 1.00 0.00 N ATOM 968 CA ILE B 6 6.227 21.428 -2.892 1.00 0.00 C ATOM 969 C ILE B 6 6.825 22.800 -2.585 1.00 0.00 C ATOM 970 O ILE B 6 6.482 23.793 -3.227 1.00 0.00 O ATOM 971 CB ILE B 6 6.857 20.892 -4.195 1.00 0.00 C ATOM 972 CG1 ILE B 6 6.065 19.694 -4.727 1.00 0.00 C ATOM 973 CG2 ILE B 6 8.309 20.507 -3.960 1.00 0.00 C ATOM 974 CD1 ILE B 6 6.481 19.265 -6.119 1.00 0.00 C ATOM 0 H ILE B 6 4.423 21.798 -3.897 1.00 0.00 H new ATOM 0 HA ILE B 6 6.454 20.744 -2.074 1.00 0.00 H new ATOM 0 HB ILE B 6 6.823 21.683 -4.944 1.00 0.00 H new ATOM 0 HG12 ILE B 6 6.190 18.854 -4.044 1.00 0.00 H new ATOM 0 HG13 ILE B 6 5.004 19.944 -4.734 1.00 0.00 H new ATOM 0 HG21 ILE B 6 8.740 20.131 -4.888 1.00 0.00 H new ATOM 0 HG22 ILE B 6 8.868 21.382 -3.628 1.00 0.00 H new ATOM 0 HG23 ILE B 6 8.361 19.732 -3.195 1.00 0.00 H new ATOM 0 HD11 ILE B 6 5.879 18.412 -6.432 1.00 0.00 H new ATOM 0 HD12 ILE B 6 6.330 20.091 -6.815 1.00 0.00 H new ATOM 0 HD13 ILE B 6 7.534 18.983 -6.113 1.00 0.00 H new ATOM 986 N LEU B 7 7.726 22.849 -1.606 1.00 0.00 N ATOM 987 CA LEU B 7 8.381 24.100 -1.222 1.00 0.00 C ATOM 988 C LEU B 7 9.885 23.890 -1.046 1.00 0.00 C ATOM 989 O LEU B 7 10.310 23.051 -0.252 1.00 0.00 O ATOM 990 CB LEU B 7 7.775 24.646 0.075 1.00 0.00 C ATOM 991 CG LEU B 7 6.658 25.679 -0.112 1.00 0.00 C ATOM 992 CD1 LEU B 7 5.295 25.029 0.067 1.00 0.00 C ATOM 993 CD2 LEU B 7 6.828 26.838 0.864 1.00 0.00 C ATOM 0 H LEU B 7 8.020 22.037 -1.063 1.00 0.00 H new ATOM 0 HA LEU B 7 8.221 24.825 -2.020 1.00 0.00 H new ATOM 0 HB2 LEU B 7 7.382 23.810 0.654 1.00 0.00 H new ATOM 0 HB3 LEU B 7 8.571 25.098 0.667 1.00 0.00 H new ATOM 0 HG LEU B 7 6.723 26.072 -1.126 1.00 0.00 H new ATOM 0 HD11 LEU B 7 4.514 25.777 -0.069 1.00 0.00 H new ATOM 0 HD12 LEU B 7 5.170 24.236 -0.670 1.00 0.00 H new ATOM 0 HD13 LEU B 7 5.222 24.607 1.069 1.00 0.00 H new ATOM 0 HD21 LEU B 7 6.025 27.560 0.715 1.00 0.00 H new ATOM 0 HD22 LEU B 7 6.792 26.461 1.886 1.00 0.00 H new ATOM 0 HD23 LEU B 7 7.789 27.323 0.690 1.00 0.00 H new ATOM 1208 N ASP B 22 9.933 28.740 1.211 1.00 0.00 N ATOM 1209 CA ASP B 22 10.595 28.098 2.345 1.00 0.00 C ATOM 1210 C ASP B 22 9.629 27.251 3.162 1.00 0.00 C ATOM 1211 O ASP B 22 8.467 27.608 3.353 1.00 0.00 O ATOM 1212 CB ASP B 22 11.240 29.153 3.244 1.00 0.00 C ATOM 1213 CG ASP B 22 12.071 28.539 4.354 1.00 0.00 C ATOM 1214 OD1 ASP B 22 11.487 28.159 5.392 1.00 0.00 O ATOM 1215 OD2 ASP B 22 13.304 28.437 4.186 1.00 0.00 O ATOM 0 HA ASP B 22 11.363 27.437 1.943 1.00 0.00 H new ATOM 0 HB2 ASP B 22 11.871 29.804 2.639 1.00 0.00 H new ATOM 0 HB3 ASP B 22 10.462 29.779 3.681 1.00 0.00 H new ATOM 1220 N ALA B 23 10.133 26.123 3.640 1.00 0.00 N ATOM 1221 CA ALA B 23 9.349 25.198 4.444 1.00 0.00 C ATOM 1222 C ALA B 23 8.649 25.915 5.598 1.00 0.00 C ATOM 1223 O ALA B 23 7.475 25.666 5.873 1.00 0.00 O ATOM 1224 CB ALA B 23 10.258 24.096 4.963 1.00 0.00 C ATOM 0 H ALA B 23 11.095 25.824 3.482 1.00 0.00 H new ATOM 0 HA ALA B 23 8.569 24.762 3.819 1.00 0.00 H new ATOM 0 HB1 ALA B 23 9.677 23.399 5.567 1.00 0.00 H new ATOM 0 HB2 ALA B 23 10.702 23.564 4.122 1.00 0.00 H new ATOM 0 HB3 ALA B 23 11.048 24.533 5.574 1.00 0.00 H new ATOM 1230 N ALA B 24 9.375 26.809 6.265 1.00 0.00 N ATOM 1231 CA ALA B 24 8.822 27.568 7.382 1.00 0.00 C ATOM 1232 C ALA B 24 7.727 28.520 6.909 1.00 0.00 C ATOM 1233 O ALA B 24 6.769 28.790 7.633 1.00 0.00 O ATOM 1234 CB ALA B 24 9.924 28.337 8.093 1.00 0.00 C ATOM 0 H ALA B 24 10.348 27.025 6.050 1.00 0.00 H new ATOM 0 HA ALA B 24 8.376 26.864 8.084 1.00 0.00 H new ATOM 0 HB1 ALA B 24 9.498 28.899 8.924 1.00 0.00 H new ATOM 0 HB2 ALA B 24 10.669 27.638 8.472 1.00 0.00 H new ATOM 0 HB3 ALA B 24 10.396 29.027 7.393 1.00 0.00 H new ATOM 1240 N THR B 25 7.879 29.026 5.688 1.00 0.00 N ATOM 1241 CA THR B 25 6.907 29.948 5.112 1.00 0.00 C ATOM 1242 C THR B 25 5.555 29.261 4.949 1.00 0.00 C ATOM 1243 O THR B 25 4.510 29.845 5.233 1.00 0.00 O ATOM 1244 CB THR B 25 7.415 30.463 3.759 1.00 0.00 C ATOM 1245 OG1 THR B 25 8.545 31.298 3.938 1.00 0.00 O ATOM 1246 CG2 THR B 25 6.387 31.253 2.975 1.00 0.00 C ATOM 0 H THR B 25 8.668 28.812 5.078 1.00 0.00 H new ATOM 0 HA THR B 25 6.781 30.796 5.786 1.00 0.00 H new ATOM 0 HB THR B 25 7.660 29.566 3.191 1.00 0.00 H new ATOM 0 HG1 THR B 25 8.858 31.617 3.066 1.00 0.00 H new ATOM 0 HG21 THR B 25 6.823 31.582 2.032 1.00 0.00 H new ATOM 0 HG22 THR B 25 5.520 30.624 2.774 1.00 0.00 H new ATOM 0 HG23 THR B 25 6.077 32.123 3.554 1.00 0.00 H new ATOM 1254 N PHE B 26 5.588 28.010 4.504 1.00 0.00 N ATOM 1255 CA PHE B 26 4.369 27.232 4.318 1.00 0.00 C ATOM 1256 C PHE B 26 3.672 26.980 5.654 1.00 0.00 C ATOM 1257 O PHE B 26 2.485 27.265 5.813 1.00 0.00 O ATOM 1258 CB PHE B 26 4.679 25.898 3.637 1.00 0.00 C ATOM 1259 CG PHE B 26 3.450 25.097 3.312 1.00 0.00 C ATOM 1260 CD1 PHE B 26 2.933 24.195 4.229 1.00 0.00 C ATOM 1261 CD2 PHE B 26 2.811 25.249 2.092 1.00 0.00 C ATOM 1262 CE1 PHE B 26 1.801 23.460 3.933 1.00 0.00 C ATOM 1263 CE2 PHE B 26 1.678 24.516 1.792 1.00 0.00 C ATOM 1264 CZ PHE B 26 1.173 23.621 2.713 1.00 0.00 C ATOM 0 H PHE B 26 6.446 27.513 4.265 1.00 0.00 H new ATOM 0 HA PHE B 26 3.701 27.810 3.679 1.00 0.00 H new ATOM 0 HB2 PHE B 26 5.234 26.087 2.718 1.00 0.00 H new ATOM 0 HB3 PHE B 26 5.327 25.309 4.286 1.00 0.00 H new ATOM 0 HD1 PHE B 26 3.420 24.065 5.184 1.00 0.00 H new ATOM 0 HD2 PHE B 26 3.202 25.948 1.368 1.00 0.00 H new ATOM 0 HE1 PHE B 26 1.407 22.760 4.655 1.00 0.00 H new ATOM 0 HE2 PHE B 26 1.189 24.644 0.838 1.00 0.00 H new ATOM 0 HZ PHE B 26 0.288 23.047 2.480 1.00 0.00 H new ATOM 1274 N GLU B 27 4.420 26.430 6.606 1.00 0.00 N ATOM 1275 CA GLU B 27 3.885 26.118 7.929 1.00 0.00 C ATOM 1276 C GLU B 27 3.238 27.335 8.587 1.00 0.00 C ATOM 1277 O GLU B 27 2.128 27.247 9.112 1.00 0.00 O ATOM 1278 CB GLU B 27 4.995 25.573 8.830 1.00 0.00 C ATOM 1279 CG GLU B 27 5.561 24.242 8.362 1.00 0.00 C ATOM 1280 CD GLU B 27 6.913 23.935 8.974 1.00 0.00 C ATOM 1281 OE1 GLU B 27 6.989 23.812 10.215 1.00 0.00 O ATOM 1282 OE2 GLU B 27 7.896 23.815 8.213 1.00 0.00 O ATOM 0 H GLU B 27 5.404 26.190 6.485 1.00 0.00 H new ATOM 0 HA GLU B 27 3.112 25.361 7.797 1.00 0.00 H new ATOM 0 HB2 GLU B 27 5.802 26.304 8.880 1.00 0.00 H new ATOM 0 HB3 GLU B 27 4.606 25.457 9.842 1.00 0.00 H new ATOM 0 HG2 GLU B 27 4.862 23.445 8.616 1.00 0.00 H new ATOM 0 HG3 GLU B 27 5.652 24.252 7.276 1.00 0.00 H new ATOM 1289 N LYS B 28 3.946 28.459 8.587 1.00 0.00 N ATOM 1290 CA LYS B 28 3.446 29.678 9.217 1.00 0.00 C ATOM 1291 C LYS B 28 2.208 30.231 8.510 1.00 0.00 C ATOM 1292 O LYS B 28 1.201 30.522 9.155 1.00 0.00 O ATOM 1293 CB LYS B 28 4.543 30.743 9.242 1.00 0.00 C ATOM 1294 CG LYS B 28 4.163 31.988 10.029 1.00 0.00 C ATOM 1295 CD LYS B 28 5.270 33.029 9.992 1.00 0.00 C ATOM 1296 CE LYS B 28 5.222 33.850 8.714 1.00 0.00 C ATOM 1297 NZ LYS B 28 6.275 34.901 8.688 1.00 0.00 N ATOM 0 H LYS B 28 4.867 28.553 8.159 1.00 0.00 H new ATOM 0 HA LYS B 28 3.156 29.419 10.235 1.00 0.00 H new ATOM 0 HB2 LYS B 28 5.447 30.312 9.673 1.00 0.00 H new ATOM 0 HB3 LYS B 28 4.784 31.029 8.218 1.00 0.00 H new ATOM 0 HG2 LYS B 28 3.247 32.414 9.619 1.00 0.00 H new ATOM 0 HG3 LYS B 28 3.952 31.716 11.063 1.00 0.00 H new ATOM 0 HD2 LYS B 28 5.178 33.690 10.854 1.00 0.00 H new ATOM 0 HD3 LYS B 28 6.238 32.535 10.072 1.00 0.00 H new ATOM 0 HE2 LYS B 28 5.346 33.191 7.855 1.00 0.00 H new ATOM 0 HE3 LYS B 28 4.241 34.316 8.619 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 6.208 35.438 7.800 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 6.142 35.545 9.493 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 7.212 34.455 8.753 1.00 0.00 H new ATOM 1311 N VAL B 29 2.281 30.382 7.192 1.00 0.00 N ATOM 1312 CA VAL B 29 1.156 30.909 6.422 1.00 0.00 C ATOM 1313 C VAL B 29 -0.078 30.016 6.528 1.00 0.00 C ATOM 1314 O VAL B 29 -1.202 30.508 6.612 1.00 0.00 O ATOM 1315 CB VAL B 29 1.520 31.071 4.932 1.00 0.00 C ATOM 1316 CG1 VAL B 29 0.340 31.635 4.148 1.00 0.00 C ATOM 1317 CG2 VAL B 29 2.747 31.957 4.773 1.00 0.00 C ATOM 0 H VAL B 29 3.103 30.149 6.635 1.00 0.00 H new ATOM 0 HA VAL B 29 0.927 31.884 6.851 1.00 0.00 H new ATOM 0 HB VAL B 29 1.757 30.087 4.528 1.00 0.00 H new ATOM 0 HG11 VAL B 29 0.618 31.742 3.099 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -0.510 30.957 4.231 1.00 0.00 H new ATOM 0 HG13 VAL B 29 0.067 32.610 4.552 1.00 0.00 H new ATOM 0 HG21 VAL B 29 2.988 32.059 3.715 1.00 0.00 H new ATOM 0 HG22 VAL B 29 2.542 32.941 5.195 1.00 0.00 H new ATOM 0 HG23 VAL B 29 3.591 31.507 5.295 1.00 0.00 H new ATOM 1327 N VAL B 30 0.138 28.706 6.508 1.00 0.00 N ATOM 1328 CA VAL B 30 -0.963 27.751 6.585 1.00 0.00 C ATOM 1329 C VAL B 30 -1.627 27.762 7.958 1.00 0.00 C ATOM 1330 O VAL B 30 -2.853 27.790 8.056 1.00 0.00 O ATOM 1331 CB VAL B 30 -0.494 26.322 6.239 1.00 0.00 C ATOM 1332 CG1 VAL B 30 -1.648 25.331 6.322 1.00 0.00 C ATOM 1333 CG2 VAL B 30 0.130 26.296 4.852 1.00 0.00 C ATOM 0 H VAL B 30 1.063 28.281 6.439 1.00 0.00 H new ATOM 0 HA VAL B 30 -1.701 28.064 5.847 1.00 0.00 H new ATOM 0 HB VAL B 30 0.258 26.024 6.970 1.00 0.00 H new ATOM 0 HG11 VAL B 30 -1.289 24.332 6.073 1.00 0.00 H new ATOM 0 HG12 VAL B 30 -2.054 25.329 7.334 1.00 0.00 H new ATOM 0 HG13 VAL B 30 -2.428 25.621 5.619 1.00 0.00 H new ATOM 0 HG21 VAL B 30 0.457 25.283 4.619 1.00 0.00 H new ATOM 0 HG22 VAL B 30 -0.606 26.618 4.116 1.00 0.00 H new ATOM 0 HG23 VAL B 30 0.987 26.969 4.826 1.00 0.00 H new ATOM 1343 N LYS B 31 -0.827 27.749 9.018 1.00 0.00 N ATOM 1344 CA LYS B 31 -1.369 27.767 10.370 1.00 0.00 C ATOM 1345 C LYS B 31 -2.113 29.073 10.631 1.00 0.00 C ATOM 1346 O LYS B 31 -3.217 29.074 11.174 1.00 0.00 O ATOM 1347 CB LYS B 31 -0.246 27.594 11.395 1.00 0.00 C ATOM 1348 CG LYS B 31 -0.742 27.352 12.811 1.00 0.00 C ATOM 1349 CD LYS B 31 0.413 27.139 13.776 1.00 0.00 C ATOM 1350 CE LYS B 31 -0.054 27.179 15.223 1.00 0.00 C ATOM 1351 NZ LYS B 31 0.829 26.379 16.114 1.00 0.00 N ATOM 0 H LYS B 31 0.192 27.726 8.968 1.00 0.00 H new ATOM 0 HA LYS B 31 -2.070 26.938 10.469 1.00 0.00 H new ATOM 0 HB2 LYS B 31 0.384 26.758 11.092 1.00 0.00 H new ATOM 0 HB3 LYS B 31 0.382 28.485 11.387 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -1.340 28.203 13.139 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -1.395 26.479 12.825 1.00 0.00 H new ATOM 0 HD2 LYS B 31 0.886 26.179 13.572 1.00 0.00 H new ATOM 0 HD3 LYS B 31 1.169 27.908 13.615 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -0.077 28.213 15.568 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -1.074 26.799 15.286 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 0.476 26.432 17.091 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 0.832 25.387 15.801 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 1.797 26.757 16.074 1.00 0.00 H new ATOM 1365 N GLN B 32 -1.501 30.182 10.232 1.00 0.00 N ATOM 1366 CA GLN B 32 -2.103 31.497 10.414 1.00 0.00 C ATOM 1367 C GLN B 32 -3.390 31.637 9.606 1.00 0.00 C ATOM 1368 O GLN B 32 -4.392 32.153 10.102 1.00 0.00 O ATOM 1369 CB GLN B 32 -1.113 32.593 10.014 1.00 0.00 C ATOM 1370 CG GLN B 32 -1.554 33.988 10.425 1.00 0.00 C ATOM 1371 CD GLN B 32 -1.578 34.171 11.930 1.00 0.00 C ATOM 1372 OE1 GLN B 32 -0.557 34.015 12.603 1.00 0.00 O ATOM 1373 NE2 GLN B 32 -2.744 34.505 12.468 1.00 0.00 N ATOM 0 H GLN B 32 -0.587 30.196 9.780 1.00 0.00 H new ATOM 0 HA GLN B 32 -2.353 31.605 11.469 1.00 0.00 H new ATOM 0 HB2 GLN B 32 -0.144 32.379 10.466 1.00 0.00 H new ATOM 0 HB3 GLN B 32 -0.973 32.568 8.933 1.00 0.00 H new ATOM 0 HG2 GLN B 32 -0.881 34.723 9.984 1.00 0.00 H new ATOM 0 HG3 GLN B 32 -2.548 34.184 10.023 1.00 0.00 H new ATOM 0 HE21 GLN B 32 -3.564 34.624 11.874 1.00 0.00 H new ATOM 0 HE22 GLN B 32 -2.820 34.643 13.476 1.00 0.00 H new ATOM 1382 N PHE B 33 -3.359 31.169 8.360 1.00 0.00 N ATOM 1383 CA PHE B 33 -4.517 31.228 7.473 1.00 0.00 C ATOM 1384 C PHE B 33 -5.668 30.330 7.928 1.00 0.00 C ATOM 1385 O PHE B 33 -6.819 30.766 7.964 1.00 0.00 O ATOM 1386 CB PHE B 33 -4.050 30.914 6.041 1.00 0.00 C ATOM 1387 CG PHE B 33 -5.098 30.382 5.101 1.00 0.00 C ATOM 1388 CD1 PHE B 33 -6.263 31.082 4.826 1.00 0.00 C ATOM 1389 CD2 PHE B 33 -4.877 29.176 4.459 1.00 0.00 C ATOM 1390 CE1 PHE B 33 -7.194 30.572 3.933 1.00 0.00 C ATOM 1391 CE2 PHE B 33 -5.799 28.663 3.570 1.00 0.00 C ATOM 1392 CZ PHE B 33 -6.960 29.359 3.305 1.00 0.00 C ATOM 0 H PHE B 33 -2.535 30.740 7.939 1.00 0.00 H new ATOM 0 HA PHE B 33 -4.933 32.235 7.504 1.00 0.00 H new ATOM 0 HB2 PHE B 33 -3.633 31.824 5.609 1.00 0.00 H new ATOM 0 HB3 PHE B 33 -3.239 30.187 6.097 1.00 0.00 H new ATOM 0 HD1 PHE B 33 -6.447 32.030 5.310 1.00 0.00 H new ATOM 0 HD2 PHE B 33 -3.968 28.628 4.657 1.00 0.00 H new ATOM 0 HE1 PHE B 33 -8.101 31.120 3.727 1.00 0.00 H new ATOM 0 HE2 PHE B 33 -5.612 27.718 3.082 1.00 0.00 H new ATOM 0 HZ PHE B 33 -7.684 28.960 2.610 1.00 0.00 H new ATOM 1402 N PHE B 34 -5.370 29.083 8.265 1.00 0.00 N ATOM 1403 CA PHE B 34 -6.408 28.155 8.703 1.00 0.00 C ATOM 1404 C PHE B 34 -6.840 28.379 10.158 1.00 0.00 C ATOM 1405 O PHE B 34 -8.006 28.176 10.495 1.00 0.00 O ATOM 1406 CB PHE B 34 -5.977 26.711 8.452 1.00 0.00 C ATOM 1407 CG PHE B 34 -6.107 26.334 7.001 1.00 0.00 C ATOM 1408 CD1 PHE B 34 -7.332 26.441 6.361 1.00 0.00 C ATOM 1409 CD2 PHE B 34 -5.008 25.911 6.269 1.00 0.00 C ATOM 1410 CE1 PHE B 34 -7.464 26.125 5.023 1.00 0.00 C ATOM 1411 CE2 PHE B 34 -5.134 25.597 4.926 1.00 0.00 C ATOM 1412 CZ PHE B 34 -6.363 25.704 4.304 1.00 0.00 C ATOM 0 H PHE B 34 -4.428 28.691 8.245 1.00 0.00 H new ATOM 0 HA PHE B 34 -7.294 28.358 8.101 1.00 0.00 H new ATOM 0 HB2 PHE B 34 -4.943 26.580 8.771 1.00 0.00 H new ATOM 0 HB3 PHE B 34 -6.585 26.039 9.058 1.00 0.00 H new ATOM 0 HD1 PHE B 34 -8.195 26.776 6.917 1.00 0.00 H new ATOM 0 HD2 PHE B 34 -4.045 25.826 6.750 1.00 0.00 H new ATOM 0 HE1 PHE B 34 -8.427 26.207 4.540 1.00 0.00 H new ATOM 0 HE2 PHE B 34 -4.272 25.269 4.365 1.00 0.00 H new ATOM 0 HZ PHE B 34 -6.462 25.459 3.257 1.00 0.00 H new ATOM 1422 N ASN B 35 -5.919 28.814 11.021 1.00 0.00 N ATOM 1423 CA ASN B 35 -6.264 29.070 12.426 1.00 0.00 C ATOM 1424 C ASN B 35 -7.470 30.010 12.536 1.00 0.00 C ATOM 1425 O ASN B 35 -8.241 29.940 13.494 1.00 0.00 O ATOM 1426 CB ASN B 35 -5.066 29.644 13.198 1.00 0.00 C ATOM 1427 CG ASN B 35 -4.093 28.580 13.688 1.00 0.00 C ATOM 1428 OD1 ASN B 35 -3.431 28.763 14.709 1.00 0.00 O ATOM 1429 ND2 ASN B 35 -4.003 27.459 12.979 1.00 0.00 N ATOM 0 H ASN B 35 -4.944 28.995 10.780 1.00 0.00 H new ATOM 0 HA ASN B 35 -6.532 28.114 12.876 1.00 0.00 H new ATOM 0 HB2 ASN B 35 -4.532 30.345 12.556 1.00 0.00 H new ATOM 0 HB3 ASN B 35 -5.433 30.211 14.053 1.00 0.00 H new ATOM 0 HD21 ASN B 35 -3.370 26.717 13.277 1.00 0.00 H new ATOM 0 HD22 ASN B 35 -4.567 27.341 12.137 1.00 0.00 H new ATOM 1436 N ASP B 36 -7.624 30.876 11.543 1.00 0.00 N ATOM 1437 CA ASP B 36 -8.731 31.833 11.490 1.00 0.00 C ATOM 1438 C ASP B 36 -10.096 31.136 11.443 1.00 0.00 C ATOM 1439 O ASP B 36 -11.127 31.758 11.697 1.00 0.00 O ATOM 1440 CB ASP B 36 -8.573 32.760 10.282 1.00 0.00 C ATOM 1441 CG ASP B 36 -7.241 33.486 10.283 1.00 0.00 C ATOM 1442 OD1 ASP B 36 -6.831 33.973 11.357 1.00 0.00 O ATOM 1443 OD2 ASP B 36 -6.608 33.567 9.209 1.00 0.00 O ATOM 0 H ASP B 36 -6.987 30.938 10.749 1.00 0.00 H new ATOM 0 HA ASP B 36 -8.695 32.421 12.407 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -8.666 32.178 9.365 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -9.382 33.490 10.279 1.00 0.00 H new ATOM 1448 N ASN B 37 -10.097 29.848 11.105 1.00 0.00 N ATOM 1449 CA ASN B 37 -11.345 29.086 11.016 1.00 0.00 C ATOM 1450 C ASN B 37 -11.545 28.155 12.214 1.00 0.00 C ATOM 1451 O ASN B 37 -12.663 27.712 12.476 1.00 0.00 O ATOM 1452 CB ASN B 37 -11.405 28.291 9.708 1.00 0.00 C ATOM 1453 CG ASN B 37 -10.461 27.106 9.694 1.00 0.00 C ATOM 1454 OD1 ASN B 37 -10.565 26.204 10.525 1.00 0.00 O ATOM 1455 ND2 ASN B 37 -9.535 27.104 8.745 1.00 0.00 N ATOM 0 H ASN B 37 -9.256 29.312 10.890 1.00 0.00 H new ATOM 0 HA ASN B 37 -12.159 29.811 11.028 1.00 0.00 H new ATOM 0 HB2 ASN B 37 -12.424 27.939 9.549 1.00 0.00 H new ATOM 0 HB3 ASN B 37 -11.163 28.952 8.876 1.00 0.00 H new ATOM 0 HD21 ASN B 37 -8.871 26.333 8.682 1.00 0.00 H new ATOM 0 HD22 ASN B 37 -9.487 27.874 8.078 1.00 0.00 H new ATOM 1462 N GLY B 38 -10.473 27.868 12.950 1.00 0.00 N ATOM 1463 CA GLY B 38 -10.595 27.003 14.115 1.00 0.00 C ATOM 1464 C GLY B 38 -9.614 25.840 14.118 1.00 0.00 C ATOM 1465 O GLY B 38 -9.805 24.869 14.850 1.00 0.00 O ATOM 0 H GLY B 38 -9.532 28.214 12.764 1.00 0.00 H new ATOM 0 HA2 GLY B 38 -10.443 27.598 15.016 1.00 0.00 H new ATOM 0 HA3 GLY B 38 -11.611 26.610 14.160 1.00 0.00 H new ATOM 1469 N VAL B 39 -8.563 25.932 13.308 1.00 0.00 N ATOM 1470 CA VAL B 39 -7.560 24.872 13.240 1.00 0.00 C ATOM 1471 C VAL B 39 -6.461 25.098 14.273 1.00 0.00 C ATOM 1472 O VAL B 39 -6.073 26.235 14.538 1.00 0.00 O ATOM 1473 CB VAL B 39 -6.924 24.782 11.839 1.00 0.00 C ATOM 1474 CG1 VAL B 39 -6.006 23.570 11.739 1.00 0.00 C ATOM 1475 CG2 VAL B 39 -8.002 24.730 10.768 1.00 0.00 C ATOM 0 H VAL B 39 -8.384 26.725 12.692 1.00 0.00 H new ATOM 0 HA VAL B 39 -8.074 23.934 13.453 1.00 0.00 H new ATOM 0 HB VAL B 39 -6.322 25.676 11.678 1.00 0.00 H new ATOM 0 HG11 VAL B 39 -5.568 23.526 10.742 1.00 0.00 H new ATOM 0 HG12 VAL B 39 -5.212 23.653 12.481 1.00 0.00 H new ATOM 0 HG13 VAL B 39 -6.581 22.662 11.923 1.00 0.00 H new ATOM 0 HG21 VAL B 39 -7.535 24.667 9.785 1.00 0.00 H new ATOM 0 HG22 VAL B 39 -8.632 23.855 10.928 1.00 0.00 H new ATOM 0 HG23 VAL B 39 -8.613 25.631 10.822 1.00 0.00 H new ATOM 1485 N ASP B 40 -5.962 24.012 14.859 1.00 0.00 N ATOM 1486 CA ASP B 40 -4.911 24.106 15.866 1.00 0.00 C ATOM 1487 C ASP B 40 -4.070 22.833 15.903 1.00 0.00 C ATOM 1488 O ASP B 40 -4.334 21.879 15.171 1.00 0.00 O ATOM 1489 CB ASP B 40 -5.520 24.366 17.245 1.00 0.00 C ATOM 1490 CG ASP B 40 -5.928 25.814 17.435 1.00 0.00 C ATOM 1491 OD1 ASP B 40 -5.038 26.651 17.694 1.00 0.00 O ATOM 1492 OD2 ASP B 40 -7.136 26.110 17.325 1.00 0.00 O ATOM 0 H ASP B 40 -6.268 23.061 14.654 1.00 0.00 H new ATOM 0 HA ASP B 40 -4.262 24.939 15.597 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -6.391 23.725 17.381 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -4.799 24.091 18.015 1.00 0.00 H new ATOM 1497 N GLY B 41 -3.055 22.830 16.762 1.00 0.00 N ATOM 1498 CA GLY B 41 -2.187 21.674 16.884 1.00 0.00 C ATOM 1499 C GLY B 41 -0.739 22.006 16.577 1.00 0.00 C ATOM 1500 O GLY B 41 -0.268 23.099 16.890 1.00 0.00 O ATOM 0 H GLY B 41 -2.818 23.609 17.376 1.00 0.00 H new ATOM 0 HA2 GLY B 41 -2.259 21.274 17.895 1.00 0.00 H new ATOM 0 HA3 GLY B 41 -2.530 20.892 16.206 1.00 0.00 H new ATOM 1504 N GLU B 42 -0.034 21.064 15.960 1.00 0.00 N ATOM 1505 CA GLU B 42 1.366 21.266 15.609 1.00 0.00 C ATOM 1506 C GLU B 42 1.736 20.471 14.362 1.00 0.00 C ATOM 1507 O GLU B 42 1.079 19.486 14.024 1.00 0.00 O ATOM 1508 CB GLU B 42 2.271 20.864 16.775 1.00 0.00 C ATOM 1509 CG GLU B 42 2.103 21.742 18.005 1.00 0.00 C ATOM 1510 CD GLU B 42 3.318 21.718 18.911 1.00 0.00 C ATOM 1511 OE1 GLU B 42 4.438 21.956 18.410 1.00 0.00 O ATOM 1512 OE2 GLU B 42 3.151 21.461 20.121 1.00 0.00 O ATOM 0 H GLU B 42 -0.409 20.154 15.693 1.00 0.00 H new ATOM 0 HA GLU B 42 1.511 22.325 15.397 1.00 0.00 H new ATOM 0 HB2 GLU B 42 2.062 19.829 17.046 1.00 0.00 H new ATOM 0 HB3 GLU B 42 3.310 20.905 16.449 1.00 0.00 H new ATOM 0 HG2 GLU B 42 1.909 22.768 17.691 1.00 0.00 H new ATOM 0 HG3 GLU B 42 1.230 21.411 18.566 1.00 0.00 H new ATOM 1519 N TRP B 43 2.791 20.905 13.679 1.00 0.00 N ATOM 1520 CA TRP B 43 3.246 20.234 12.468 1.00 0.00 C ATOM 1521 C TRP B 43 3.932 18.919 12.797 1.00 0.00 C ATOM 1522 O TRP B 43 4.915 18.882 13.538 1.00 0.00 O ATOM 1523 CB TRP B 43 4.192 21.139 11.679 1.00 0.00 C ATOM 1524 CG TRP B 43 3.476 22.215 10.922 1.00 0.00 C ATOM 1525 CD1 TRP B 43 3.401 23.536 11.252 1.00 0.00 C ATOM 1526 CD2 TRP B 43 2.730 22.059 9.710 1.00 0.00 C ATOM 1527 NE1 TRP B 43 2.654 24.214 10.319 1.00 0.00 N ATOM 1528 CE2 TRP B 43 2.231 23.329 9.361 1.00 0.00 C ATOM 1529 CE3 TRP B 43 2.438 20.970 8.883 1.00 0.00 C ATOM 1530 CZ2 TRP B 43 1.456 23.537 8.223 1.00 0.00 C ATOM 1531 CZ3 TRP B 43 1.668 21.179 7.754 1.00 0.00 C ATOM 1532 CH2 TRP B 43 1.185 22.454 7.433 1.00 0.00 C ATOM 0 H TRP B 43 3.346 21.718 13.944 1.00 0.00 H new ATOM 0 HA TRP B 43 2.371 20.018 11.855 1.00 0.00 H new ATOM 0 HB2 TRP B 43 4.904 21.597 12.365 1.00 0.00 H new ATOM 0 HB3 TRP B 43 4.768 20.532 10.980 1.00 0.00 H new ATOM 0 HD1 TRP B 43 3.862 23.984 12.120 1.00 0.00 H new ATOM 0 HE1 TRP B 43 2.448 25.213 10.336 1.00 0.00 H new ATOM 0 HE3 TRP B 43 2.807 19.984 9.122 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 1.082 24.519 7.973 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 1.435 20.345 7.109 1.00 0.00 H new ATOM 0 HH2 TRP B 43 0.586 22.585 6.544 1.00 0.00 H new ATOM 1543 N THR B 44 3.407 17.838 12.235 1.00 0.00 N ATOM 1544 CA THR B 44 3.963 16.516 12.460 1.00 0.00 C ATOM 1545 C THR B 44 4.527 15.943 11.165 1.00 0.00 C ATOM 1546 O THR B 44 3.918 16.057 10.101 1.00 0.00 O ATOM 1547 CB THR B 44 2.896 15.580 13.030 1.00 0.00 C ATOM 1548 OG1 THR B 44 1.838 15.401 12.106 1.00 0.00 O ATOM 1549 CG2 THR B 44 2.295 16.079 14.327 1.00 0.00 C ATOM 0 H THR B 44 2.594 17.854 11.619 1.00 0.00 H new ATOM 0 HA THR B 44 4.775 16.604 13.182 1.00 0.00 H new ATOM 0 HB THR B 44 3.411 14.639 13.225 1.00 0.00 H new ATOM 0 HG1 THR B 44 2.061 15.847 11.263 1.00 0.00 H new ATOM 0 HG21 THR B 44 1.546 15.369 14.678 1.00 0.00 H new ATOM 0 HG22 THR B 44 3.080 16.178 15.077 1.00 0.00 H new ATOM 0 HG23 THR B 44 1.826 17.049 14.161 1.00 0.00 H new ATOM 1557 N TYR B 45 5.684 15.312 11.276 1.00 0.00 N ATOM 1558 CA TYR B 45 6.334 14.696 10.125 1.00 0.00 C ATOM 1559 C TYR B 45 5.585 13.442 9.691 1.00 0.00 C ATOM 1560 O TYR B 45 5.063 12.701 10.523 1.00 0.00 O ATOM 1561 CB TYR B 45 7.793 14.362 10.440 1.00 0.00 C ATOM 1562 CG TYR B 45 8.723 15.548 10.316 1.00 0.00 C ATOM 1563 CD1 TYR B 45 9.295 15.873 9.092 1.00 0.00 C ATOM 1564 CD2 TYR B 45 9.027 16.343 11.414 1.00 0.00 C ATOM 1565 CE1 TYR B 45 10.145 16.954 8.966 1.00 0.00 C ATOM 1566 CE2 TYR B 45 9.877 17.427 11.295 1.00 0.00 C ATOM 1567 CZ TYR B 45 10.432 17.729 10.069 1.00 0.00 C ATOM 1568 OH TYR B 45 11.278 18.807 9.947 1.00 0.00 O ATOM 0 H TYR B 45 6.196 15.211 12.153 1.00 0.00 H new ATOM 0 HA TYR B 45 6.315 15.412 9.303 1.00 0.00 H new ATOM 0 HB2 TYR B 45 7.856 13.965 11.453 1.00 0.00 H new ATOM 0 HB3 TYR B 45 8.131 13.574 9.767 1.00 0.00 H new ATOM 0 HD1 TYR B 45 9.071 15.270 8.225 1.00 0.00 H new ATOM 0 HD2 TYR B 45 8.593 16.111 12.375 1.00 0.00 H new ATOM 0 HE1 TYR B 45 10.583 17.191 8.008 1.00 0.00 H new ATOM 0 HE2 TYR B 45 10.105 18.035 12.158 1.00 0.00 H new ATOM 0 HH TYR B 45 11.374 19.248 10.817 1.00 0.00 H new ATOM 1578 N ASP B 46 5.532 13.212 8.383 1.00 0.00 N ATOM 1579 CA ASP B 46 4.840 12.048 7.844 1.00 0.00 C ATOM 1580 C ASP B 46 5.619 10.771 8.145 1.00 0.00 C ATOM 1581 O ASP B 46 6.829 10.809 8.368 1.00 0.00 O ATOM 1582 CB ASP B 46 4.660 12.190 6.332 1.00 0.00 C ATOM 1583 CG ASP B 46 3.727 13.325 5.962 1.00 0.00 C ATOM 1584 OD1 ASP B 46 3.863 14.418 6.549 1.00 0.00 O ATOM 1585 OD2 ASP B 46 2.864 13.122 5.083 1.00 0.00 O ATOM 0 H ASP B 46 5.959 13.814 7.679 1.00 0.00 H new ATOM 0 HA ASP B 46 3.861 11.986 8.320 1.00 0.00 H new ATOM 0 HB2 ASP B 46 5.632 12.357 5.868 1.00 0.00 H new ATOM 0 HB3 ASP B 46 4.270 11.256 5.927 1.00 0.00 H new ATOM 1590 N ASP B 47 4.919 9.641 8.150 1.00 0.00 N ATOM 1591 CA ASP B 47 5.551 8.355 8.423 1.00 0.00 C ATOM 1592 C ASP B 47 6.490 7.959 7.286 1.00 0.00 C ATOM 1593 O ASP B 47 6.196 8.193 6.115 1.00 0.00 O ATOM 1594 CB ASP B 47 4.488 7.275 8.631 1.00 0.00 C ATOM 1595 CG ASP B 47 4.166 7.058 10.097 1.00 0.00 C ATOM 1596 OD1 ASP B 47 4.927 6.334 10.773 1.00 0.00 O ATOM 1597 OD2 ASP B 47 3.152 7.613 10.571 1.00 0.00 O ATOM 0 H ASP B 47 3.917 9.590 7.969 1.00 0.00 H new ATOM 0 HA ASP B 47 6.139 8.451 9.335 1.00 0.00 H new ATOM 0 HB2 ASP B 47 3.579 7.556 8.100 1.00 0.00 H new ATOM 0 HB3 ASP B 47 4.835 6.338 8.195 1.00 0.00 H new ATOM 1602 N ALA B 48 7.625 7.364 7.644 1.00 0.00 N ATOM 1603 CA ALA B 48 8.615 6.941 6.657 1.00 0.00 C ATOM 1604 C ALA B 48 8.010 5.990 5.627 1.00 0.00 C ATOM 1605 O ALA B 48 7.223 5.107 5.968 1.00 0.00 O ATOM 1606 CB ALA B 48 9.802 6.288 7.349 1.00 0.00 C ATOM 0 H ALA B 48 7.882 7.164 8.611 1.00 0.00 H new ATOM 0 HA ALA B 48 8.957 7.829 6.126 1.00 0.00 H new ATOM 0 HB1 ALA B 48 10.533 5.977 6.602 1.00 0.00 H new ATOM 0 HB2 ALA B 48 10.263 7.002 8.032 1.00 0.00 H new ATOM 0 HB3 ALA B 48 9.462 5.417 7.909 1.00 0.00 H new ATOM 1612 N THR B 49 8.385 6.183 4.366 1.00 0.00 N ATOM 1613 CA THR B 49 7.886 5.353 3.275 1.00 0.00 C ATOM 1614 C THR B 49 9.035 4.817 2.425 1.00 0.00 C ATOM 1615 O THR B 49 10.123 5.394 2.401 1.00 0.00 O ATOM 1616 CB THR B 49 6.923 6.153 2.395 1.00 0.00 C ATOM 1617 OG1 THR B 49 5.868 6.694 3.168 1.00 0.00 O ATOM 1618 CG2 THR B 49 6.305 5.331 1.284 1.00 0.00 C ATOM 0 H THR B 49 9.037 6.911 4.074 1.00 0.00 H new ATOM 0 HA THR B 49 7.355 4.508 3.713 1.00 0.00 H new ATOM 0 HB THR B 49 7.528 6.942 1.948 1.00 0.00 H new ATOM 0 HG1 THR B 49 5.183 7.064 2.573 1.00 0.00 H new ATOM 0 HG21 THR B 49 5.633 5.958 0.698 1.00 0.00 H new ATOM 0 HG22 THR B 49 7.092 4.941 0.639 1.00 0.00 H new ATOM 0 HG23 THR B 49 5.744 4.501 1.714 1.00 0.00 H new ATOM 1626 N LYS B 50 8.789 3.711 1.730 1.00 0.00 N ATOM 1627 CA LYS B 50 9.806 3.103 0.879 1.00 0.00 C ATOM 1628 C LYS B 50 9.380 3.133 -0.586 1.00 0.00 C ATOM 1629 O LYS B 50 8.224 2.869 -0.915 1.00 0.00 O ATOM 1630 CB LYS B 50 10.070 1.660 1.318 1.00 0.00 C ATOM 1631 CG LYS B 50 11.509 1.216 1.116 1.00 0.00 C ATOM 1632 CD LYS B 50 12.030 0.437 2.315 1.00 0.00 C ATOM 1633 CE LYS B 50 12.603 1.363 3.376 1.00 0.00 C ATOM 1634 NZ LYS B 50 13.505 0.642 4.316 1.00 0.00 N ATOM 0 H LYS B 50 7.896 3.218 1.739 1.00 0.00 H new ATOM 0 HA LYS B 50 10.724 3.681 0.982 1.00 0.00 H new ATOM 0 HB2 LYS B 50 9.811 1.557 2.372 1.00 0.00 H new ATOM 0 HB3 LYS B 50 9.411 0.993 0.761 1.00 0.00 H new ATOM 0 HG2 LYS B 50 11.577 0.596 0.222 1.00 0.00 H new ATOM 0 HG3 LYS B 50 12.139 2.089 0.947 1.00 0.00 H new ATOM 0 HD2 LYS B 50 11.222 -0.154 2.745 1.00 0.00 H new ATOM 0 HD3 LYS B 50 12.799 -0.264 1.989 1.00 0.00 H new ATOM 0 HE2 LYS B 50 13.153 2.171 2.894 1.00 0.00 H new ATOM 0 HE3 LYS B 50 11.788 1.822 3.936 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 14.274 1.276 4.614 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 12.965 0.337 5.151 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 13.907 -0.191 3.841 1.00 0.00 H new ATOM 1648 N THR B 51 10.326 3.462 -1.462 1.00 0.00 N ATOM 1649 CA THR B 51 10.059 3.535 -2.894 1.00 0.00 C ATOM 1650 C THR B 51 11.196 2.881 -3.678 1.00 0.00 C ATOM 1651 O THR B 51 12.366 3.219 -3.495 1.00 0.00 O ATOM 1652 CB THR B 51 9.869 4.998 -3.317 1.00 0.00 C ATOM 1653 OG1 THR B 51 8.680 5.523 -2.751 1.00 0.00 O ATOM 1654 CG2 THR B 51 9.782 5.195 -4.815 1.00 0.00 C ATOM 0 H THR B 51 11.287 3.683 -1.203 1.00 0.00 H new ATOM 0 HA THR B 51 9.140 2.992 -3.115 1.00 0.00 H new ATOM 0 HB THR B 51 10.756 5.518 -2.955 1.00 0.00 H new ATOM 0 HG1 THR B 51 8.582 5.195 -1.833 1.00 0.00 H new ATOM 0 HG21 THR B 51 9.648 6.254 -5.036 1.00 0.00 H new ATOM 0 HG22 THR B 51 10.701 4.840 -5.283 1.00 0.00 H new ATOM 0 HG23 THR B 51 8.935 4.633 -5.207 1.00 0.00 H new ATOM 1662 N PHE B 52 10.842 1.934 -4.545 1.00 0.00 N ATOM 1663 CA PHE B 52 11.827 1.219 -5.353 1.00 0.00 C ATOM 1664 C PHE B 52 12.254 2.031 -6.572 1.00 0.00 C ATOM 1665 O PHE B 52 11.420 2.434 -7.384 1.00 0.00 O ATOM 1666 CB PHE B 52 11.264 -0.131 -5.803 1.00 0.00 C ATOM 1667 CG PHE B 52 12.280 -1.013 -6.472 1.00 0.00 C ATOM 1668 CD1 PHE B 52 13.196 -1.731 -5.721 1.00 0.00 C ATOM 1669 CD2 PHE B 52 12.317 -1.126 -7.853 1.00 0.00 C ATOM 1670 CE1 PHE B 52 14.130 -2.545 -6.334 1.00 0.00 C ATOM 1671 CE2 PHE B 52 13.249 -1.936 -8.471 1.00 0.00 C ATOM 1672 CZ PHE B 52 14.158 -2.647 -7.711 1.00 0.00 C ATOM 0 H PHE B 52 9.877 1.644 -4.706 1.00 0.00 H new ATOM 0 HA PHE B 52 12.707 1.058 -4.730 1.00 0.00 H new ATOM 0 HB2 PHE B 52 10.857 -0.652 -4.937 1.00 0.00 H new ATOM 0 HB3 PHE B 52 10.436 0.041 -6.490 1.00 0.00 H new ATOM 0 HD1 PHE B 52 13.180 -1.654 -4.644 1.00 0.00 H new ATOM 0 HD2 PHE B 52 11.608 -0.574 -8.453 1.00 0.00 H new ATOM 0 HE1 PHE B 52 14.837 -3.101 -5.737 1.00 0.00 H new ATOM 0 HE2 PHE B 52 13.267 -2.014 -9.548 1.00 0.00 H new ATOM 0 HZ PHE B 52 14.888 -3.281 -8.192 1.00 0.00 H new ATOM 1682 N THR B 53 13.557 2.253 -6.705 1.00 0.00 N ATOM 1683 CA THR B 53 14.092 2.999 -7.839 1.00 0.00 C ATOM 1684 C THR B 53 14.622 2.039 -8.901 1.00 0.00 C ATOM 1685 O THR B 53 15.491 1.212 -8.623 1.00 0.00 O ATOM 1686 CB THR B 53 15.205 3.944 -7.380 1.00 0.00 C ATOM 1687 OG1 THR B 53 14.721 4.848 -6.403 1.00 0.00 O ATOM 1688 CG2 THR B 53 15.797 4.764 -8.507 1.00 0.00 C ATOM 0 H THR B 53 14.262 1.928 -6.043 1.00 0.00 H new ATOM 0 HA THR B 53 13.288 3.593 -8.273 1.00 0.00 H new ATOM 0 HB THR B 53 15.983 3.298 -6.973 1.00 0.00 H new ATOM 0 HG1 THR B 53 14.354 4.346 -5.646 1.00 0.00 H new ATOM 0 HG21 THR B 53 16.580 5.412 -8.113 1.00 0.00 H new ATOM 0 HG22 THR B 53 16.221 4.098 -9.258 1.00 0.00 H new ATOM 0 HG23 THR B 53 15.016 5.373 -8.963 1.00 0.00 H new ATOM 1696 N VAL B 54 14.089 2.145 -10.115 1.00 0.00 N ATOM 1697 CA VAL B 54 14.510 1.274 -11.209 1.00 0.00 C ATOM 1698 C VAL B 54 15.917 1.621 -11.680 1.00 0.00 C ATOM 1699 O VAL B 54 16.382 2.747 -11.504 1.00 0.00 O ATOM 1700 CB VAL B 54 13.552 1.358 -12.413 1.00 0.00 C ATOM 1701 CG1 VAL B 54 13.785 0.191 -13.360 1.00 0.00 C ATOM 1702 CG2 VAL B 54 12.101 1.396 -11.953 1.00 0.00 C ATOM 0 H VAL B 54 13.368 2.822 -10.366 1.00 0.00 H new ATOM 0 HA VAL B 54 14.495 0.258 -10.814 1.00 0.00 H new ATOM 0 HB VAL B 54 13.759 2.284 -12.949 1.00 0.00 H new ATOM 0 HG11 VAL B 54 13.100 0.266 -14.205 1.00 0.00 H new ATOM 0 HG12 VAL B 54 14.813 0.216 -13.723 1.00 0.00 H new ATOM 0 HG13 VAL B 54 13.609 -0.746 -12.832 1.00 0.00 H new ATOM 0 HG21 VAL B 54 11.445 1.455 -12.822 1.00 0.00 H new ATOM 0 HG22 VAL B 54 11.874 0.492 -11.388 1.00 0.00 H new ATOM 0 HG23 VAL B 54 11.943 2.268 -11.319 1.00 0.00 H new ATOM 1712 N THR B 55 16.590 0.645 -12.277 1.00 0.00 N ATOM 1713 CA THR B 55 17.946 0.843 -12.775 1.00 0.00 C ATOM 1714 C THR B 55 18.226 -0.060 -13.972 1.00 0.00 C ATOM 1715 O THR B 55 18.337 0.409 -15.105 1.00 0.00 O ATOM 1716 CB THR B 55 18.960 0.571 -11.663 1.00 0.00 C ATOM 1717 OG1 THR B 55 18.704 1.394 -10.539 1.00 0.00 O ATOM 1718 CG2 THR B 55 20.394 0.808 -12.087 1.00 0.00 C ATOM 0 H THR B 55 16.219 -0.293 -12.428 1.00 0.00 H new ATOM 0 HA THR B 55 18.041 1.879 -13.100 1.00 0.00 H new ATOM 0 HB THR B 55 18.841 -0.484 -11.417 1.00 0.00 H new ATOM 0 HG1 THR B 55 19.362 1.204 -9.838 1.00 0.00 H new ATOM 0 HG21 THR B 55 21.060 0.596 -11.251 1.00 0.00 H new ATOM 0 HG22 THR B 55 20.640 0.152 -12.922 1.00 0.00 H new ATOM 0 HG23 THR B 55 20.516 1.847 -12.394 1.00 0.00 H new ATOM 1726 N GLU B 56 18.336 -1.356 -13.709 1.00 0.00 N ATOM 1727 CA GLU B 56 18.602 -2.332 -14.760 1.00 0.00 C ATOM 1728 C GLU B 56 19.919 -2.031 -15.466 1.00 0.00 C ATOM 1729 O GLU B 56 20.668 -1.161 -14.974 1.00 0.00 O ATOM 1730 CB GLU B 56 17.458 -2.346 -15.776 1.00 0.00 C ATOM 1731 CG GLU B 56 16.080 -2.403 -15.140 1.00 0.00 C ATOM 1732 CD GLU B 56 14.978 -1.984 -16.094 1.00 0.00 C ATOM 1733 OE1 GLU B 56 14.839 -0.767 -16.342 1.00 0.00 O ATOM 1734 OE2 GLU B 56 14.256 -2.871 -16.595 1.00 0.00 O ATOM 1735 OXT GLU B 56 20.193 -2.668 -16.505 1.00 0.00 O ATOM 0 H GLU B 56 18.245 -1.757 -12.776 1.00 0.00 H new ATOM 0 HA GLU B 56 18.678 -3.314 -14.294 1.00 0.00 H new ATOM 0 HB2 GLU B 56 17.525 -1.454 -16.398 1.00 0.00 H new ATOM 0 HB3 GLU B 56 17.580 -3.205 -16.436 1.00 0.00 H new ATOM 0 HG2 GLU B 56 15.887 -3.417 -14.791 1.00 0.00 H new ATOM 0 HG3 GLU B 56 16.062 -1.756 -14.263 1.00 0.00 H new ATOM 1743 N MET C 1 5.124 0.101 8.312 1.00 0.00 N ATOM 1744 CA MET C 1 5.952 0.430 7.122 1.00 0.00 C ATOM 1745 C MET C 1 5.107 0.464 5.853 1.00 0.00 C ATOM 1746 O MET C 1 4.604 -0.565 5.401 1.00 0.00 O ATOM 1747 CB MET C 1 7.060 -0.618 6.994 1.00 0.00 C ATOM 1748 CG MET C 1 8.113 -0.267 5.955 1.00 0.00 C ATOM 1749 SD MET C 1 9.244 1.018 6.518 1.00 0.00 S ATOM 1750 CE MET C 1 8.374 2.491 5.988 1.00 0.00 C ATOM 0 H1 MET C 1 5.502 0.595 9.145 1.00 0.00 H new ATOM 0 H2 MET C 1 4.143 0.403 8.146 1.00 0.00 H new ATOM 0 H3 MET C 1 5.147 -0.925 8.478 1.00 0.00 H new ATOM 0 HA MET C 1 6.386 1.421 7.251 1.00 0.00 H new ATOM 0 HB2 MET C 1 7.545 -0.742 7.962 1.00 0.00 H new ATOM 0 HB3 MET C 1 6.613 -1.578 6.736 1.00 0.00 H new ATOM 0 HG2 MET C 1 8.682 -1.162 5.704 1.00 0.00 H new ATOM 0 HG3 MET C 1 7.620 0.064 5.041 1.00 0.00 H new ATOM 0 HE1 MET C 1 9.082 3.193 5.547 1.00 0.00 H new ATOM 0 HE2 MET C 1 7.620 2.222 5.248 1.00 0.00 H new ATOM 0 HE3 MET C 1 7.890 2.956 6.847 1.00 0.00 H new ATOM 1762 N GLN C 2 4.971 1.652 5.273 1.00 0.00 N ATOM 1763 CA GLN C 2 4.201 1.819 4.045 1.00 0.00 C ATOM 1764 C GLN C 2 5.116 1.682 2.834 1.00 0.00 C ATOM 1765 O GLN C 2 6.139 2.361 2.740 1.00 0.00 O ATOM 1766 CB GLN C 2 3.491 3.174 4.028 1.00 0.00 C ATOM 1767 CG GLN C 2 4.438 4.362 4.016 1.00 0.00 C ATOM 1768 CD GLN C 2 3.889 5.546 4.787 1.00 0.00 C ATOM 1769 OE1 GLN C 2 3.613 6.601 4.215 1.00 0.00 O ATOM 1770 NE2 GLN C 2 3.727 5.377 6.094 1.00 0.00 N ATOM 0 H GLN C 2 5.383 2.513 5.633 1.00 0.00 H new ATOM 0 HA GLN C 2 3.441 1.039 4.004 1.00 0.00 H new ATOM 0 HB2 GLN C 2 2.847 3.225 3.150 1.00 0.00 H new ATOM 0 HB3 GLN C 2 2.844 3.246 4.902 1.00 0.00 H new ATOM 0 HG2 GLN C 2 5.395 4.065 4.445 1.00 0.00 H new ATOM 0 HG3 GLN C 2 4.629 4.660 2.985 1.00 0.00 H new ATOM 0 HE21 GLN C 2 3.969 4.486 6.527 1.00 0.00 H new ATOM 0 HE22 GLN C 2 3.361 6.139 6.665 1.00 0.00 H new ATOM 1779 N TYR C 3 4.758 0.785 1.920 1.00 0.00 N ATOM 1780 CA TYR C 3 5.572 0.549 0.734 1.00 0.00 C ATOM 1781 C TYR C 3 4.907 1.058 -0.541 1.00 0.00 C ATOM 1782 O TYR C 3 3.719 0.830 -0.780 1.00 0.00 O ATOM 1783 CB TYR C 3 5.877 -0.942 0.595 1.00 0.00 C ATOM 1784 CG TYR C 3 7.007 -1.410 1.483 1.00 0.00 C ATOM 1785 CD1 TYR C 3 8.324 -1.358 1.047 1.00 0.00 C ATOM 1786 CD2 TYR C 3 6.755 -1.903 2.757 1.00 0.00 C ATOM 1787 CE1 TYR C 3 9.360 -1.784 1.857 1.00 0.00 C ATOM 1788 CE2 TYR C 3 7.786 -2.329 3.573 1.00 0.00 C ATOM 1789 CZ TYR C 3 9.085 -2.268 3.118 1.00 0.00 C ATOM 1790 OH TYR C 3 10.114 -2.692 3.928 1.00 0.00 O ATOM 0 H TYR C 3 3.915 0.213 1.978 1.00 0.00 H new ATOM 0 HA TYR C 3 6.498 1.108 0.866 1.00 0.00 H new ATOM 0 HB2 TYR C 3 4.979 -1.512 0.832 1.00 0.00 H new ATOM 0 HB3 TYR C 3 6.128 -1.159 -0.443 1.00 0.00 H new ATOM 0 HD1 TYR C 3 8.543 -0.979 0.060 1.00 0.00 H new ATOM 0 HD2 TYR C 3 5.738 -1.954 3.115 1.00 0.00 H new ATOM 0 HE1 TYR C 3 10.380 -1.738 1.504 1.00 0.00 H new ATOM 0 HE2 TYR C 3 7.574 -2.708 4.562 1.00 0.00 H new ATOM 0 HH TYR C 3 10.549 -3.471 3.523 1.00 0.00 H new ATOM 1800 N LYS C 4 5.705 1.743 -1.354 1.00 0.00 N ATOM 1801 CA LYS C 4 5.238 2.291 -2.623 1.00 0.00 C ATOM 1802 C LYS C 4 5.792 1.480 -3.791 1.00 0.00 C ATOM 1803 O LYS C 4 7.000 1.269 -3.892 1.00 0.00 O ATOM 1804 CB LYS C 4 5.660 3.757 -2.760 1.00 0.00 C ATOM 1805 CG LYS C 4 4.690 4.597 -3.574 1.00 0.00 C ATOM 1806 CD LYS C 4 5.243 5.989 -3.836 1.00 0.00 C ATOM 1807 CE LYS C 4 6.182 6.000 -5.032 1.00 0.00 C ATOM 1808 NZ LYS C 4 6.476 7.384 -5.495 1.00 0.00 N ATOM 0 H LYS C 4 6.687 1.933 -1.154 1.00 0.00 H new ATOM 0 HA LYS C 4 4.150 2.234 -2.640 1.00 0.00 H new ATOM 0 HB2 LYS C 4 5.758 4.192 -1.766 1.00 0.00 H new ATOM 0 HB3 LYS C 4 6.645 3.801 -3.226 1.00 0.00 H new ATOM 0 HG2 LYS C 4 4.485 4.101 -4.523 1.00 0.00 H new ATOM 0 HG3 LYS C 4 3.741 4.675 -3.044 1.00 0.00 H new ATOM 0 HD2 LYS C 4 4.420 6.681 -4.012 1.00 0.00 H new ATOM 0 HD3 LYS C 4 5.774 6.343 -2.952 1.00 0.00 H new ATOM 0 HE2 LYS C 4 7.114 5.501 -4.766 1.00 0.00 H new ATOM 0 HE3 LYS C 4 5.737 5.431 -5.848 1.00 0.00 H new ATOM 0 HZ1 LYS C 4 7.119 7.348 -6.311 1.00 0.00 H new ATOM 0 HZ2 LYS C 4 5.590 7.853 -5.773 1.00 0.00 H new ATOM 0 HZ3 LYS C 4 6.924 7.920 -4.725 1.00 0.00 H new ATOM 1822 N VAL C 5 4.903 1.022 -4.666 1.00 0.00 N ATOM 1823 CA VAL C 5 5.310 0.229 -5.822 1.00 0.00 C ATOM 1824 C VAL C 5 4.522 0.616 -7.068 1.00 0.00 C ATOM 1825 O VAL C 5 3.293 0.686 -7.042 1.00 0.00 O ATOM 1826 CB VAL C 5 5.124 -1.279 -5.561 1.00 0.00 C ATOM 1827 CG1 VAL C 5 5.730 -2.097 -6.692 1.00 0.00 C ATOM 1828 CG2 VAL C 5 5.737 -1.670 -4.225 1.00 0.00 C ATOM 0 H VAL C 5 3.898 1.185 -4.598 1.00 0.00 H new ATOM 0 HA VAL C 5 6.367 0.438 -5.988 1.00 0.00 H new ATOM 0 HB VAL C 5 4.056 -1.492 -5.521 1.00 0.00 H new ATOM 0 HG11 VAL C 5 5.589 -3.159 -6.489 1.00 0.00 H new ATOM 0 HG12 VAL C 5 5.240 -1.838 -7.631 1.00 0.00 H new ATOM 0 HG13 VAL C 5 6.796 -1.881 -6.767 1.00 0.00 H new ATOM 0 HG21 VAL C 5 5.596 -2.738 -4.058 1.00 0.00 H new ATOM 0 HG22 VAL C 5 6.803 -1.442 -4.233 1.00 0.00 H new ATOM 0 HG23 VAL C 5 5.252 -1.111 -3.425 1.00 0.00 H new ATOM 1838 N ILE C 6 5.238 0.864 -8.163 1.00 0.00 N ATOM 1839 CA ILE C 6 4.607 1.238 -9.423 1.00 0.00 C ATOM 1840 C ILE C 6 4.441 0.027 -10.339 1.00 0.00 C ATOM 1841 O ILE C 6 5.377 -0.749 -10.529 1.00 0.00 O ATOM 1842 CB ILE C 6 5.421 2.317 -10.167 1.00 0.00 C ATOM 1843 CG1 ILE C 6 5.906 3.396 -9.195 1.00 0.00 C ATOM 1844 CG2 ILE C 6 4.585 2.937 -11.276 1.00 0.00 C ATOM 1845 CD1 ILE C 6 6.911 4.350 -9.805 1.00 0.00 C ATOM 0 H ILE C 6 6.256 0.812 -8.201 1.00 0.00 H new ATOM 0 HA ILE C 6 3.626 1.641 -9.172 1.00 0.00 H new ATOM 0 HB ILE C 6 6.295 1.842 -10.613 1.00 0.00 H new ATOM 0 HG12 ILE C 6 5.047 3.965 -8.838 1.00 0.00 H new ATOM 0 HG13 ILE C 6 6.354 2.916 -8.325 1.00 0.00 H new ATOM 0 HG21 ILE C 6 5.172 3.697 -11.793 1.00 0.00 H new ATOM 0 HG22 ILE C 6 4.289 2.163 -11.984 1.00 0.00 H new ATOM 0 HG23 ILE C 6 3.694 3.396 -10.847 1.00 0.00 H new ATOM 0 HD11 ILE C 6 7.211 5.087 -9.060 1.00 0.00 H new ATOM 0 HD12 ILE C 6 7.787 3.792 -10.137 1.00 0.00 H new ATOM 0 HD13 ILE C 6 6.460 4.858 -10.657 1.00 0.00 H new ATOM 1857 N LEU C 7 3.251 -0.122 -10.915 1.00 0.00 N ATOM 1858 CA LEU C 7 2.973 -1.231 -11.823 1.00 0.00 C ATOM 1859 C LEU C 7 2.252 -0.726 -13.070 1.00 0.00 C ATOM 1860 O LEU C 7 1.163 -0.158 -12.982 1.00 0.00 O ATOM 1861 CB LEU C 7 2.135 -2.308 -11.122 1.00 0.00 C ATOM 1862 CG LEU C 7 2.940 -3.463 -10.516 1.00 0.00 C ATOM 1863 CD1 LEU C 7 3.114 -3.264 -9.018 1.00 0.00 C ATOM 1864 CD2 LEU C 7 2.266 -4.802 -10.799 1.00 0.00 C ATOM 0 H LEU C 7 2.464 0.511 -10.769 1.00 0.00 H new ATOM 0 HA LEU C 7 3.922 -1.676 -12.123 1.00 0.00 H new ATOM 0 HB2 LEU C 7 1.553 -1.836 -10.330 1.00 0.00 H new ATOM 0 HB3 LEU C 7 1.424 -2.718 -11.839 1.00 0.00 H new ATOM 0 HG LEU C 7 3.925 -3.471 -10.983 1.00 0.00 H new ATOM 0 HD11 LEU C 7 3.688 -4.094 -8.605 1.00 0.00 H new ATOM 0 HD12 LEU C 7 3.644 -2.329 -8.834 1.00 0.00 H new ATOM 0 HD13 LEU C 7 2.135 -3.226 -8.540 1.00 0.00 H new ATOM 0 HD21 LEU C 7 2.856 -5.606 -10.359 1.00 0.00 H new ATOM 0 HD22 LEU C 7 1.266 -4.805 -10.364 1.00 0.00 H new ATOM 0 HD23 LEU C 7 2.194 -4.952 -11.876 1.00 0.00 H new ATOM 2079 N ASP C 22 1.263 -5.928 -14.089 1.00 0.00 N ATOM 2080 CA ASP C 22 -0.141 -5.546 -14.190 1.00 0.00 C ATOM 2081 C ASP C 22 -0.737 -5.276 -12.818 1.00 0.00 C ATOM 2082 O ASP C 22 -0.413 -5.945 -11.838 1.00 0.00 O ATOM 2083 CB ASP C 22 -0.935 -6.644 -14.897 1.00 0.00 C ATOM 2084 CG ASP C 22 -2.379 -6.251 -15.139 1.00 0.00 C ATOM 2085 OD1 ASP C 22 -3.199 -6.401 -14.209 1.00 0.00 O ATOM 2086 OD2 ASP C 22 -2.689 -5.793 -16.258 1.00 0.00 O ATOM 0 HA ASP C 22 -0.199 -4.627 -14.773 1.00 0.00 H new ATOM 0 HB2 ASP C 22 -0.460 -6.875 -15.850 1.00 0.00 H new ATOM 0 HB3 ASP C 22 -0.905 -7.554 -14.297 1.00 0.00 H new ATOM 2091 N ALA C 23 -1.612 -4.286 -12.765 1.00 0.00 N ATOM 2092 CA ALA C 23 -2.273 -3.904 -11.528 1.00 0.00 C ATOM 2093 C ALA C 23 -2.885 -5.116 -10.826 1.00 0.00 C ATOM 2094 O ALA C 23 -2.766 -5.266 -9.611 1.00 0.00 O ATOM 2095 CB ALA C 23 -3.333 -2.862 -11.835 1.00 0.00 C ATOM 0 H ALA C 23 -1.883 -3.727 -13.574 1.00 0.00 H new ATOM 0 HA ALA C 23 -1.535 -3.481 -10.847 1.00 0.00 H new ATOM 0 HB1 ALA C 23 -3.834 -2.570 -10.912 1.00 0.00 H new ATOM 0 HB2 ALA C 23 -2.864 -1.988 -12.286 1.00 0.00 H new ATOM 0 HB3 ALA C 23 -4.064 -3.279 -12.528 1.00 0.00 H new ATOM 2101 N ALA C 24 -3.532 -5.982 -11.603 1.00 0.00 N ATOM 2102 CA ALA C 24 -4.153 -7.186 -11.061 1.00 0.00 C ATOM 2103 C ALA C 24 -3.102 -8.156 -10.531 1.00 0.00 C ATOM 2104 O ALA C 24 -3.340 -8.879 -9.563 1.00 0.00 O ATOM 2105 CB ALA C 24 -5.011 -7.860 -12.121 1.00 0.00 C ATOM 0 H ALA C 24 -3.639 -5.871 -12.611 1.00 0.00 H new ATOM 0 HA ALA C 24 -4.790 -6.892 -10.227 1.00 0.00 H new ATOM 0 HB1 ALA C 24 -5.468 -8.757 -11.703 1.00 0.00 H new ATOM 0 HB2 ALA C 24 -5.792 -7.173 -12.448 1.00 0.00 H new ATOM 0 HB3 ALA C 24 -4.389 -8.134 -12.973 1.00 0.00 H new ATOM 2111 N THR C 25 -1.937 -8.166 -11.173 1.00 0.00 N ATOM 2112 CA THR C 25 -0.844 -9.045 -10.770 1.00 0.00 C ATOM 2113 C THR C 25 -0.372 -8.693 -9.363 1.00 0.00 C ATOM 2114 O THR C 25 -0.112 -9.575 -8.545 1.00 0.00 O ATOM 2115 CB THR C 25 0.315 -8.929 -11.769 1.00 0.00 C ATOM 2116 OG1 THR C 25 -0.056 -9.470 -13.025 1.00 0.00 O ATOM 2117 CG2 THR C 25 1.582 -9.634 -11.327 1.00 0.00 C ATOM 0 H THR C 25 -1.726 -7.574 -11.976 1.00 0.00 H new ATOM 0 HA THR C 25 -1.202 -10.075 -10.765 1.00 0.00 H new ATOM 0 HB THR C 25 0.525 -7.861 -11.834 1.00 0.00 H new ATOM 0 HG1 THR C 25 0.693 -9.387 -13.651 1.00 0.00 H new ATOM 0 HG21 THR C 25 2.354 -9.506 -12.086 1.00 0.00 H new ATOM 0 HG22 THR C 25 1.926 -9.208 -10.385 1.00 0.00 H new ATOM 0 HG23 THR C 25 1.379 -10.696 -11.192 1.00 0.00 H new ATOM 2125 N PHE C 26 -0.280 -7.399 -9.089 1.00 0.00 N ATOM 2126 CA PHE C 26 0.143 -6.925 -7.776 1.00 0.00 C ATOM 2127 C PHE C 26 -0.869 -7.317 -6.702 1.00 0.00 C ATOM 2128 O PHE C 26 -0.515 -7.921 -5.690 1.00 0.00 O ATOM 2129 CB PHE C 26 0.326 -5.406 -7.787 1.00 0.00 C ATOM 2130 CG PHE C 26 0.874 -4.866 -6.498 1.00 0.00 C ATOM 2131 CD1 PHE C 26 0.024 -4.482 -5.474 1.00 0.00 C ATOM 2132 CD2 PHE C 26 2.242 -4.747 -6.308 1.00 0.00 C ATOM 2133 CE1 PHE C 26 0.526 -3.988 -4.285 1.00 0.00 C ATOM 2134 CE2 PHE C 26 2.750 -4.255 -5.122 1.00 0.00 C ATOM 2135 CZ PHE C 26 1.891 -3.875 -4.109 1.00 0.00 C ATOM 0 H PHE C 26 -0.492 -6.658 -9.757 1.00 0.00 H new ATOM 0 HA PHE C 26 1.098 -7.396 -7.542 1.00 0.00 H new ATOM 0 HB2 PHE C 26 0.997 -5.133 -8.602 1.00 0.00 H new ATOM 0 HB3 PHE C 26 -0.634 -4.933 -7.993 1.00 0.00 H new ATOM 0 HD1 PHE C 26 -1.044 -4.570 -5.606 1.00 0.00 H new ATOM 0 HD2 PHE C 26 2.918 -5.042 -7.097 1.00 0.00 H new ATOM 0 HE1 PHE C 26 -0.148 -3.691 -3.495 1.00 0.00 H new ATOM 0 HE2 PHE C 26 3.818 -4.167 -4.986 1.00 0.00 H new ATOM 0 HZ PHE C 26 2.286 -3.490 -3.181 1.00 0.00 H new ATOM 2145 N GLU C 27 -2.128 -6.955 -6.929 1.00 0.00 N ATOM 2146 CA GLU C 27 -3.200 -7.249 -5.981 1.00 0.00 C ATOM 2147 C GLU C 27 -3.269 -8.735 -5.635 1.00 0.00 C ATOM 2148 O GLU C 27 -3.363 -9.104 -4.465 1.00 0.00 O ATOM 2149 CB GLU C 27 -4.545 -6.789 -6.551 1.00 0.00 C ATOM 2150 CG GLU C 27 -4.643 -5.284 -6.739 1.00 0.00 C ATOM 2151 CD GLU C 27 -5.756 -4.885 -7.687 1.00 0.00 C ATOM 2152 OE1 GLU C 27 -6.931 -5.171 -7.376 1.00 0.00 O ATOM 2153 OE2 GLU C 27 -5.452 -4.288 -8.742 1.00 0.00 O ATOM 0 H GLU C 27 -2.433 -6.456 -7.764 1.00 0.00 H new ATOM 0 HA GLU C 27 -2.981 -6.704 -5.063 1.00 0.00 H new ATOM 0 HB2 GLU C 27 -4.710 -7.278 -7.511 1.00 0.00 H new ATOM 0 HB3 GLU C 27 -5.343 -7.116 -5.885 1.00 0.00 H new ATOM 0 HG2 GLU C 27 -4.809 -4.811 -5.771 1.00 0.00 H new ATOM 0 HG3 GLU C 27 -3.694 -4.907 -7.120 1.00 0.00 H new ATOM 2160 N LYS C 28 -3.256 -9.585 -6.658 1.00 0.00 N ATOM 2161 CA LYS C 28 -3.353 -11.028 -6.453 1.00 0.00 C ATOM 2162 C LYS C 28 -2.136 -11.594 -5.721 1.00 0.00 C ATOM 2163 O LYS C 28 -2.283 -12.323 -4.740 1.00 0.00 O ATOM 2164 CB LYS C 28 -3.522 -11.741 -7.797 1.00 0.00 C ATOM 2165 CG LYS C 28 -3.791 -13.231 -7.665 1.00 0.00 C ATOM 2166 CD LYS C 28 -3.917 -13.897 -9.026 1.00 0.00 C ATOM 2167 CE LYS C 28 -2.555 -14.226 -9.614 1.00 0.00 C ATOM 2168 NZ LYS C 28 -2.668 -14.917 -10.927 1.00 0.00 N ATOM 0 H LYS C 28 -3.179 -9.301 -7.635 1.00 0.00 H new ATOM 0 HA LYS C 28 -4.227 -11.204 -5.826 1.00 0.00 H new ATOM 0 HB2 LYS C 28 -4.344 -11.279 -8.343 1.00 0.00 H new ATOM 0 HB3 LYS C 28 -2.621 -11.594 -8.393 1.00 0.00 H new ATOM 0 HG2 LYS C 28 -2.983 -13.699 -7.103 1.00 0.00 H new ATOM 0 HG3 LYS C 28 -4.707 -13.387 -7.096 1.00 0.00 H new ATOM 0 HD2 LYS C 28 -4.504 -14.811 -8.932 1.00 0.00 H new ATOM 0 HD3 LYS C 28 -4.458 -13.239 -9.706 1.00 0.00 H new ATOM 0 HE2 LYS C 28 -1.981 -13.307 -9.736 1.00 0.00 H new ATOM 0 HE3 LYS C 28 -2.002 -14.857 -8.918 1.00 0.00 H new ATOM 0 HZ1 LYS C 28 -1.717 -15.124 -11.294 1.00 0.00 H new ATOM 0 HZ2 LYS C 28 -3.194 -15.806 -10.807 1.00 0.00 H new ATOM 0 HZ3 LYS C 28 -3.173 -14.305 -11.599 1.00 0.00 H new ATOM 2182 N VAL C 29 -0.939 -11.267 -6.196 1.00 0.00 N ATOM 2183 CA VAL C 29 0.288 -11.760 -5.573 1.00 0.00 C ATOM 2184 C VAL C 29 0.428 -11.284 -4.129 1.00 0.00 C ATOM 2185 O VAL C 29 0.876 -12.034 -3.263 1.00 0.00 O ATOM 2186 CB VAL C 29 1.538 -11.318 -6.361 1.00 0.00 C ATOM 2187 CG1 VAL C 29 2.806 -11.851 -5.704 1.00 0.00 C ATOM 2188 CG2 VAL C 29 1.448 -11.772 -7.810 1.00 0.00 C ATOM 0 H VAL C 29 -0.790 -10.666 -7.006 1.00 0.00 H new ATOM 0 HA VAL C 29 0.215 -12.848 -5.583 1.00 0.00 H new ATOM 0 HB VAL C 29 1.582 -10.229 -6.349 1.00 0.00 H new ATOM 0 HG11 VAL C 29 3.676 -11.528 -6.276 1.00 0.00 H new ATOM 0 HG12 VAL C 29 2.878 -11.467 -4.686 1.00 0.00 H new ATOM 0 HG13 VAL C 29 2.773 -12.940 -5.679 1.00 0.00 H new ATOM 0 HG21 VAL C 29 2.340 -11.450 -8.348 1.00 0.00 H new ATOM 0 HG22 VAL C 29 1.375 -12.859 -7.847 1.00 0.00 H new ATOM 0 HG23 VAL C 29 0.565 -11.333 -8.275 1.00 0.00 H new ATOM 2198 N VAL C 30 0.057 -10.034 -3.882 1.00 0.00 N ATOM 2199 CA VAL C 30 0.160 -9.459 -2.545 1.00 0.00 C ATOM 2200 C VAL C 30 -0.836 -10.094 -1.578 1.00 0.00 C ATOM 2201 O VAL C 30 -0.473 -10.448 -0.457 1.00 0.00 O ATOM 2202 CB VAL C 30 -0.038 -7.928 -2.574 1.00 0.00 C ATOM 2203 CG1 VAL C 30 0.072 -7.335 -1.175 1.00 0.00 C ATOM 2204 CG2 VAL C 30 0.977 -7.286 -3.505 1.00 0.00 C ATOM 0 H VAL C 30 -0.317 -9.399 -4.588 1.00 0.00 H new ATOM 0 HA VAL C 30 1.167 -9.674 -2.188 1.00 0.00 H new ATOM 0 HB VAL C 30 -1.040 -7.720 -2.948 1.00 0.00 H new ATOM 0 HG11 VAL C 30 -0.071 -6.256 -1.225 1.00 0.00 H new ATOM 0 HG12 VAL C 30 -0.692 -7.773 -0.533 1.00 0.00 H new ATOM 0 HG13 VAL C 30 1.058 -7.551 -0.765 1.00 0.00 H new ATOM 0 HG21 VAL C 30 0.828 -6.206 -3.517 1.00 0.00 H new ATOM 0 HG22 VAL C 30 1.985 -7.509 -3.154 1.00 0.00 H new ATOM 0 HG23 VAL C 30 0.848 -7.682 -4.512 1.00 0.00 H new ATOM 2214 N LYS C 31 -2.082 -10.248 -2.008 1.00 0.00 N ATOM 2215 CA LYS C 31 -3.100 -10.852 -1.159 1.00 0.00 C ATOM 2216 C LYS C 31 -2.756 -12.308 -0.862 1.00 0.00 C ATOM 2217 O LYS C 31 -2.848 -12.761 0.277 1.00 0.00 O ATOM 2218 CB LYS C 31 -4.472 -10.767 -1.832 1.00 0.00 C ATOM 2219 CG LYS C 31 -5.627 -11.133 -0.914 1.00 0.00 C ATOM 2220 CD LYS C 31 -6.966 -10.989 -1.619 1.00 0.00 C ATOM 2221 CE LYS C 31 -8.090 -11.627 -0.819 1.00 0.00 C ATOM 2222 NZ LYS C 31 -9.406 -10.991 -1.102 1.00 0.00 N ATOM 0 H LYS C 31 -2.410 -9.966 -2.932 1.00 0.00 H new ATOM 0 HA LYS C 31 -3.132 -10.302 -0.219 1.00 0.00 H new ATOM 0 HB2 LYS C 31 -4.622 -9.753 -2.204 1.00 0.00 H new ATOM 0 HB3 LYS C 31 -4.484 -11.429 -2.698 1.00 0.00 H new ATOM 0 HG2 LYS C 31 -5.506 -12.159 -0.567 1.00 0.00 H new ATOM 0 HG3 LYS C 31 -5.609 -10.493 -0.032 1.00 0.00 H new ATOM 0 HD2 LYS C 31 -7.184 -9.933 -1.775 1.00 0.00 H new ATOM 0 HD3 LYS C 31 -6.911 -11.452 -2.604 1.00 0.00 H new ATOM 0 HE2 LYS C 31 -8.143 -12.690 -1.053 1.00 0.00 H new ATOM 0 HE3 LYS C 31 -7.869 -11.545 0.245 1.00 0.00 H new ATOM 0 HZ1 LYS C 31 -10.145 -11.455 -0.536 1.00 0.00 H new ATOM 0 HZ2 LYS C 31 -9.364 -9.982 -0.855 1.00 0.00 H new ATOM 0 HZ3 LYS C 31 -9.630 -11.091 -2.113 1.00 0.00 H new ATOM 2236 N GLN C 32 -2.352 -13.034 -1.899 1.00 0.00 N ATOM 2237 CA GLN C 32 -1.986 -14.438 -1.755 1.00 0.00 C ATOM 2238 C GLN C 32 -0.758 -14.604 -0.864 1.00 0.00 C ATOM 2239 O GLN C 32 -0.718 -15.483 -0.004 1.00 0.00 O ATOM 2240 CB GLN C 32 -1.723 -15.060 -3.128 1.00 0.00 C ATOM 2241 CG GLN C 32 -1.610 -16.575 -3.094 1.00 0.00 C ATOM 2242 CD GLN C 32 -2.917 -17.248 -2.724 1.00 0.00 C ATOM 2243 OE1 GLN C 32 -3.930 -17.077 -3.399 1.00 0.00 O ATOM 2244 NE2 GLN C 32 -2.898 -18.021 -1.643 1.00 0.00 N ATOM 0 H GLN C 32 -2.270 -12.673 -2.849 1.00 0.00 H new ATOM 0 HA GLN C 32 -2.821 -14.953 -1.280 1.00 0.00 H new ATOM 0 HB2 GLN C 32 -2.529 -14.779 -3.806 1.00 0.00 H new ATOM 0 HB3 GLN C 32 -0.802 -14.644 -3.537 1.00 0.00 H new ATOM 0 HG2 GLN C 32 -1.285 -16.934 -4.071 1.00 0.00 H new ATOM 0 HG3 GLN C 32 -0.841 -16.862 -2.376 1.00 0.00 H new ATOM 0 HE21 GLN C 32 -2.034 -18.135 -1.112 1.00 0.00 H new ATOM 0 HE22 GLN C 32 -3.747 -18.501 -1.344 1.00 0.00 H new ATOM 2253 N PHE C 33 0.242 -13.748 -1.068 1.00 0.00 N ATOM 2254 CA PHE C 33 1.473 -13.781 -0.286 1.00 0.00 C ATOM 2255 C PHE C 33 1.266 -13.396 1.180 1.00 0.00 C ATOM 2256 O PHE C 33 1.753 -14.084 2.077 1.00 0.00 O ATOM 2257 CB PHE C 33 2.521 -12.901 -0.988 1.00 0.00 C ATOM 2258 CG PHE C 33 3.621 -12.353 -0.118 1.00 0.00 C ATOM 2259 CD1 PHE C 33 4.456 -13.178 0.621 1.00 0.00 C ATOM 2260 CD2 PHE C 33 3.834 -10.986 -0.081 1.00 0.00 C ATOM 2261 CE1 PHE C 33 5.475 -12.638 1.391 1.00 0.00 C ATOM 2262 CE2 PHE C 33 4.846 -10.443 0.682 1.00 0.00 C ATOM 2263 CZ PHE C 33 5.667 -11.267 1.421 1.00 0.00 C ATOM 0 H PHE C 33 0.220 -13.015 -1.777 1.00 0.00 H new ATOM 0 HA PHE C 33 1.834 -14.808 -0.244 1.00 0.00 H new ATOM 0 HB2 PHE C 33 2.976 -13.484 -1.789 1.00 0.00 H new ATOM 0 HB3 PHE C 33 2.006 -12.063 -1.457 1.00 0.00 H new ATOM 0 HD1 PHE C 33 4.312 -14.248 0.597 1.00 0.00 H new ATOM 0 HD2 PHE C 33 3.197 -10.334 -0.660 1.00 0.00 H new ATOM 0 HE1 PHE C 33 6.119 -13.286 1.967 1.00 0.00 H new ATOM 0 HE2 PHE C 33 4.995 -9.373 0.700 1.00 0.00 H new ATOM 0 HZ PHE C 33 6.458 -10.844 2.022 1.00 0.00 H new ATOM 2273 N PHE C 34 0.557 -12.302 1.427 1.00 0.00 N ATOM 2274 CA PHE C 34 0.318 -11.856 2.796 1.00 0.00 C ATOM 2275 C PHE C 34 -0.786 -12.657 3.504 1.00 0.00 C ATOM 2276 O PHE C 34 -0.716 -12.864 4.715 1.00 0.00 O ATOM 2277 CB PHE C 34 0.046 -10.354 2.832 1.00 0.00 C ATOM 2278 CG PHE C 34 1.312 -9.555 2.684 1.00 0.00 C ATOM 2279 CD1 PHE C 34 2.357 -9.734 3.577 1.00 0.00 C ATOM 2280 CD2 PHE C 34 1.476 -8.656 1.641 1.00 0.00 C ATOM 2281 CE1 PHE C 34 3.537 -9.029 3.441 1.00 0.00 C ATOM 2282 CE2 PHE C 34 2.657 -7.949 1.496 1.00 0.00 C ATOM 2283 CZ PHE C 34 3.689 -8.136 2.400 1.00 0.00 C ATOM 0 H PHE C 34 0.141 -11.712 0.707 1.00 0.00 H new ATOM 0 HA PHE C 34 1.230 -12.051 3.361 1.00 0.00 H new ATOM 0 HB2 PHE C 34 -0.646 -10.090 2.032 1.00 0.00 H new ATOM 0 HB3 PHE C 34 -0.440 -10.095 3.773 1.00 0.00 H new ATOM 0 HD1 PHE C 34 2.247 -10.435 4.391 1.00 0.00 H new ATOM 0 HD2 PHE C 34 0.673 -8.506 0.934 1.00 0.00 H new ATOM 0 HE1 PHE C 34 4.340 -9.176 4.148 1.00 0.00 H new ATOM 0 HE2 PHE C 34 2.773 -7.252 0.679 1.00 0.00 H new ATOM 0 HZ PHE C 34 4.611 -7.584 2.291 1.00 0.00 H new ATOM 2293 N ASN C 35 -1.790 -13.123 2.760 1.00 0.00 N ATOM 2294 CA ASN C 35 -2.871 -13.913 3.366 1.00 0.00 C ATOM 2295 C ASN C 35 -2.311 -15.097 4.162 1.00 0.00 C ATOM 2296 O ASN C 35 -2.912 -15.544 5.139 1.00 0.00 O ATOM 2297 CB ASN C 35 -3.864 -14.406 2.302 1.00 0.00 C ATOM 2298 CG ASN C 35 -4.911 -13.368 1.922 1.00 0.00 C ATOM 2299 OD1 ASN C 35 -6.028 -13.718 1.540 1.00 0.00 O ATOM 2300 ND2 ASN C 35 -4.571 -12.088 2.028 1.00 0.00 N ATOM 0 H ASN C 35 -1.881 -12.973 1.755 1.00 0.00 H new ATOM 0 HA ASN C 35 -3.406 -13.259 4.055 1.00 0.00 H new ATOM 0 HB2 ASN C 35 -3.312 -14.698 1.409 1.00 0.00 H new ATOM 0 HB3 ASN C 35 -4.367 -15.299 2.672 1.00 0.00 H new ATOM 0 HD21 ASN C 35 -5.244 -11.360 1.789 1.00 0.00 H new ATOM 0 HD22 ASN C 35 -3.637 -11.833 2.348 1.00 0.00 H new ATOM 2307 N ASP C 36 -1.153 -15.588 3.735 1.00 0.00 N ATOM 2308 CA ASP C 36 -0.479 -16.709 4.391 1.00 0.00 C ATOM 2309 C ASP C 36 -0.108 -16.390 5.847 1.00 0.00 C ATOM 2310 O ASP C 36 0.185 -17.291 6.631 1.00 0.00 O ATOM 2311 CB ASP C 36 0.773 -17.108 3.606 1.00 0.00 C ATOM 2312 CG ASP C 36 0.462 -17.443 2.159 1.00 0.00 C ATOM 2313 OD1 ASP C 36 -0.534 -18.156 1.916 1.00 0.00 O ATOM 2314 OD2 ASP C 36 1.214 -16.992 1.270 1.00 0.00 O ATOM 0 H ASP C 36 -0.653 -15.222 2.925 1.00 0.00 H new ATOM 0 HA ASP C 36 -1.180 -17.544 4.406 1.00 0.00 H new ATOM 0 HB2 ASP C 36 1.496 -16.293 3.641 1.00 0.00 H new ATOM 0 HB3 ASP C 36 1.240 -17.969 4.084 1.00 0.00 H new ATOM 2319 N ASN C 37 -0.107 -15.104 6.192 1.00 0.00 N ATOM 2320 CA ASN C 37 0.244 -14.683 7.551 1.00 0.00 C ATOM 2321 C ASN C 37 -0.984 -14.289 8.375 1.00 0.00 C ATOM 2322 O ASN C 37 -0.920 -14.250 9.604 1.00 0.00 O ATOM 2323 CB ASN C 37 1.254 -13.532 7.520 1.00 0.00 C ATOM 2324 CG ASN C 37 0.643 -12.222 7.069 1.00 0.00 C ATOM 2325 OD1 ASN C 37 -0.286 -11.709 7.693 1.00 0.00 O ATOM 2326 ND2 ASN C 37 1.165 -11.673 5.979 1.00 0.00 N ATOM 0 H ASN C 37 -0.342 -14.340 5.558 1.00 0.00 H new ATOM 0 HA ASN C 37 0.700 -15.544 8.039 1.00 0.00 H new ATOM 0 HB2 ASN C 37 1.682 -13.404 8.514 1.00 0.00 H new ATOM 0 HB3 ASN C 37 2.074 -13.793 6.852 1.00 0.00 H new ATOM 0 HD21 ASN C 37 0.796 -10.790 5.626 1.00 0.00 H new ATOM 0 HD22 ASN C 37 1.935 -12.134 5.494 1.00 0.00 H new ATOM 2333 N GLY C 38 -2.104 -14.014 7.709 1.00 0.00 N ATOM 2334 CA GLY C 38 -3.315 -13.649 8.429 1.00 0.00 C ATOM 2335 C GLY C 38 -3.952 -12.358 7.942 1.00 0.00 C ATOM 2336 O GLY C 38 -4.778 -11.770 8.641 1.00 0.00 O ATOM 0 H GLY C 38 -2.195 -14.037 6.693 1.00 0.00 H new ATOM 0 HA2 GLY C 38 -4.039 -14.458 8.337 1.00 0.00 H new ATOM 0 HA3 GLY C 38 -3.081 -13.550 9.489 1.00 0.00 H new ATOM 2340 N VAL C 39 -3.579 -11.912 6.746 1.00 0.00 N ATOM 2341 CA VAL C 39 -4.135 -10.684 6.183 1.00 0.00 C ATOM 2342 C VAL C 39 -5.412 -10.974 5.401 1.00 0.00 C ATOM 2343 O VAL C 39 -5.522 -12.005 4.740 1.00 0.00 O ATOM 2344 CB VAL C 39 -3.125 -9.979 5.257 1.00 0.00 C ATOM 2345 CG1 VAL C 39 -3.655 -8.621 4.815 1.00 0.00 C ATOM 2346 CG2 VAL C 39 -1.780 -9.832 5.951 1.00 0.00 C ATOM 0 H VAL C 39 -2.897 -12.380 6.149 1.00 0.00 H new ATOM 0 HA VAL C 39 -4.364 -10.025 7.020 1.00 0.00 H new ATOM 0 HB VAL C 39 -2.987 -10.594 4.368 1.00 0.00 H new ATOM 0 HG11 VAL C 39 -2.926 -8.141 4.162 1.00 0.00 H new ATOM 0 HG12 VAL C 39 -4.593 -8.754 4.276 1.00 0.00 H new ATOM 0 HG13 VAL C 39 -3.826 -7.995 5.691 1.00 0.00 H new ATOM 0 HG21 VAL C 39 -1.079 -9.332 5.283 1.00 0.00 H new ATOM 0 HG22 VAL C 39 -1.901 -9.240 6.858 1.00 0.00 H new ATOM 0 HG23 VAL C 39 -1.394 -10.818 6.210 1.00 0.00 H new ATOM 2356 N ASP C 40 -6.377 -10.061 5.481 1.00 0.00 N ATOM 2357 CA ASP C 40 -7.645 -10.233 4.778 1.00 0.00 C ATOM 2358 C ASP C 40 -8.286 -8.884 4.464 1.00 0.00 C ATOM 2359 O ASP C 40 -7.758 -7.833 4.825 1.00 0.00 O ATOM 2360 CB ASP C 40 -8.604 -11.081 5.616 1.00 0.00 C ATOM 2361 CG ASP C 40 -8.284 -12.560 5.542 1.00 0.00 C ATOM 2362 OD1 ASP C 40 -8.643 -13.196 4.528 1.00 0.00 O ATOM 2363 OD2 ASP C 40 -7.677 -13.086 6.499 1.00 0.00 O ATOM 0 H ASP C 40 -6.306 -9.199 6.022 1.00 0.00 H new ATOM 0 HA ASP C 40 -7.441 -10.744 3.837 1.00 0.00 H new ATOM 0 HB2 ASP C 40 -8.560 -10.754 6.655 1.00 0.00 H new ATOM 0 HB3 ASP C 40 -9.625 -10.916 5.273 1.00 0.00 H new ATOM 2368 N GLY C 41 -9.431 -8.926 3.788 1.00 0.00 N ATOM 2369 CA GLY C 41 -10.130 -7.706 3.433 1.00 0.00 C ATOM 2370 C GLY C 41 -10.298 -7.554 1.933 1.00 0.00 C ATOM 2371 O GLY C 41 -10.491 -8.540 1.221 1.00 0.00 O ATOM 0 H GLY C 41 -9.887 -9.785 3.480 1.00 0.00 H new ATOM 0 HA2 GLY C 41 -11.111 -7.700 3.909 1.00 0.00 H new ATOM 0 HA3 GLY C 41 -9.581 -6.849 3.824 1.00 0.00 H new ATOM 2375 N GLU C 42 -10.224 -6.318 1.451 1.00 0.00 N ATOM 2376 CA GLU C 42 -10.368 -6.044 0.025 1.00 0.00 C ATOM 2377 C GLU C 42 -9.566 -4.811 -0.375 1.00 0.00 C ATOM 2378 O GLU C 42 -9.259 -3.960 0.460 1.00 0.00 O ATOM 2379 CB GLU C 42 -11.841 -5.851 -0.333 1.00 0.00 C ATOM 2380 CG GLU C 42 -12.682 -7.103 -0.138 1.00 0.00 C ATOM 2381 CD GLU C 42 -13.943 -7.094 -0.979 1.00 0.00 C ATOM 2382 OE1 GLU C 42 -13.840 -6.859 -2.201 1.00 0.00 O ATOM 2383 OE2 GLU C 42 -15.034 -7.326 -0.416 1.00 0.00 O ATOM 0 H GLU C 42 -10.065 -5.490 2.026 1.00 0.00 H new ATOM 0 HA GLU C 42 -9.979 -6.901 -0.526 1.00 0.00 H new ATOM 0 HB2 GLU C 42 -12.253 -5.048 0.278 1.00 0.00 H new ATOM 0 HB3 GLU C 42 -11.915 -5.531 -1.372 1.00 0.00 H new ATOM 0 HG2 GLU C 42 -12.086 -7.980 -0.392 1.00 0.00 H new ATOM 0 HG3 GLU C 42 -12.952 -7.195 0.914 1.00 0.00 H new ATOM 2390 N TRP C 43 -9.229 -4.722 -1.657 1.00 0.00 N ATOM 2391 CA TRP C 43 -8.462 -3.591 -2.169 1.00 0.00 C ATOM 2392 C TRP C 43 -9.321 -2.339 -2.250 1.00 0.00 C ATOM 2393 O TRP C 43 -10.352 -2.318 -2.920 1.00 0.00 O ATOM 2394 CB TRP C 43 -7.877 -3.919 -3.542 1.00 0.00 C ATOM 2395 CG TRP C 43 -6.677 -4.812 -3.470 1.00 0.00 C ATOM 2396 CD1 TRP C 43 -6.631 -6.143 -3.763 1.00 0.00 C ATOM 2397 CD2 TRP C 43 -5.352 -4.440 -3.077 1.00 0.00 C ATOM 2398 NE1 TRP C 43 -5.357 -6.623 -3.576 1.00 0.00 N ATOM 2399 CE2 TRP C 43 -4.553 -5.596 -3.155 1.00 0.00 C ATOM 2400 CE3 TRP C 43 -4.763 -3.240 -2.667 1.00 0.00 C ATOM 2401 CZ2 TRP C 43 -3.197 -5.588 -2.838 1.00 0.00 C ATOM 2402 CZ3 TRP C 43 -3.416 -3.234 -2.352 1.00 0.00 C ATOM 2403 CH2 TRP C 43 -2.647 -4.400 -2.439 1.00 0.00 C ATOM 0 H TRP C 43 -9.474 -5.419 -2.361 1.00 0.00 H new ATOM 0 HA TRP C 43 -7.644 -3.399 -1.475 1.00 0.00 H new ATOM 0 HB2 TRP C 43 -8.643 -4.398 -4.152 1.00 0.00 H new ATOM 0 HB3 TRP C 43 -7.603 -2.992 -4.045 1.00 0.00 H new ATOM 0 HD1 TRP C 43 -7.473 -6.734 -4.094 1.00 0.00 H new ATOM 0 HE1 TRP C 43 -5.058 -7.587 -3.726 1.00 0.00 H new ATOM 0 HE3 TRP C 43 -5.348 -2.335 -2.598 1.00 0.00 H new ATOM 0 HZ2 TRP C 43 -2.601 -6.486 -2.905 1.00 0.00 H new ATOM 0 HZ3 TRP C 43 -2.950 -2.313 -2.033 1.00 0.00 H new ATOM 0 HH2 TRP C 43 -1.598 -4.362 -2.186 1.00 0.00 H new ATOM 2414 N THR C 44 -8.881 -1.295 -1.560 1.00 0.00 N ATOM 2415 CA THR C 44 -9.600 -0.033 -1.550 1.00 0.00 C ATOM 2416 C THR C 44 -8.774 1.061 -2.214 1.00 0.00 C ATOM 2417 O THR C 44 -7.568 1.170 -1.992 1.00 0.00 O ATOM 2418 CB THR C 44 -9.949 0.370 -0.115 1.00 0.00 C ATOM 2419 OG1 THR C 44 -8.774 0.589 0.645 1.00 0.00 O ATOM 2420 CG2 THR C 44 -10.779 -0.667 0.610 1.00 0.00 C ATOM 0 H THR C 44 -8.028 -1.300 -1.000 1.00 0.00 H new ATOM 0 HA THR C 44 -10.524 -0.162 -2.114 1.00 0.00 H new ATOM 0 HB THR C 44 -10.535 1.284 -0.205 1.00 0.00 H new ATOM 0 HG1 THR C 44 -7.990 0.535 0.059 1.00 0.00 H new ATOM 0 HG21 THR C 44 -10.992 -0.320 1.621 1.00 0.00 H new ATOM 0 HG22 THR C 44 -11.716 -0.822 0.075 1.00 0.00 H new ATOM 0 HG23 THR C 44 -10.228 -1.606 0.657 1.00 0.00 H new ATOM 2428 N TYR C 45 -9.442 1.878 -3.013 1.00 0.00 N ATOM 2429 CA TYR C 45 -8.786 2.983 -3.700 1.00 0.00 C ATOM 2430 C TYR C 45 -8.421 4.088 -2.716 1.00 0.00 C ATOM 2431 O TYR C 45 -9.156 4.354 -1.767 1.00 0.00 O ATOM 2432 CB TYR C 45 -9.676 3.535 -4.814 1.00 0.00 C ATOM 2433 CG TYR C 45 -9.616 2.725 -6.089 1.00 0.00 C ATOM 2434 CD1 TYR C 45 -8.638 2.981 -7.042 1.00 0.00 C ATOM 2435 CD2 TYR C 45 -10.529 1.709 -6.340 1.00 0.00 C ATOM 2436 CE1 TYR C 45 -8.571 2.248 -8.210 1.00 0.00 C ATOM 2437 CE2 TYR C 45 -10.468 0.970 -7.508 1.00 0.00 C ATOM 2438 CZ TYR C 45 -9.488 1.243 -8.439 1.00 0.00 C ATOM 2439 OH TYR C 45 -9.424 0.510 -9.602 1.00 0.00 O ATOM 0 H TYR C 45 -10.441 1.798 -3.203 1.00 0.00 H new ATOM 0 HA TYR C 45 -7.868 2.604 -4.150 1.00 0.00 H new ATOM 0 HB2 TYR C 45 -10.707 3.568 -4.462 1.00 0.00 H new ATOM 0 HB3 TYR C 45 -9.380 4.561 -5.030 1.00 0.00 H new ATOM 0 HD1 TYR C 45 -7.918 3.767 -6.866 1.00 0.00 H new ATOM 0 HD2 TYR C 45 -11.298 1.493 -5.613 1.00 0.00 H new ATOM 0 HE1 TYR C 45 -7.805 2.460 -8.941 1.00 0.00 H new ATOM 0 HE2 TYR C 45 -11.185 0.183 -7.690 1.00 0.00 H new ATOM 0 HH TYR C 45 -10.141 -0.159 -9.607 1.00 0.00 H new ATOM 2449 N ASP C 46 -7.278 4.727 -2.948 1.00 0.00 N ATOM 2450 CA ASP C 46 -6.818 5.799 -2.076 1.00 0.00 C ATOM 2451 C ASP C 46 -7.675 7.048 -2.259 1.00 0.00 C ATOM 2452 O ASP C 46 -8.303 7.233 -3.302 1.00 0.00 O ATOM 2453 CB ASP C 46 -5.356 6.136 -2.373 1.00 0.00 C ATOM 2454 CG ASP C 46 -4.414 5.001 -2.023 1.00 0.00 C ATOM 2455 OD1 ASP C 46 -4.735 3.841 -2.355 1.00 0.00 O ATOM 2456 OD2 ASP C 46 -3.355 5.274 -1.420 1.00 0.00 O ATOM 0 H ASP C 46 -6.656 4.521 -3.730 1.00 0.00 H new ATOM 0 HA ASP C 46 -6.907 5.457 -1.045 1.00 0.00 H new ATOM 0 HB2 ASP C 46 -5.250 6.378 -3.431 1.00 0.00 H new ATOM 0 HB3 ASP C 46 -5.071 7.026 -1.812 1.00 0.00 H new ATOM 2461 N ASP C 47 -7.696 7.904 -1.242 1.00 0.00 N ATOM 2462 CA ASP C 47 -8.477 9.135 -1.300 1.00 0.00 C ATOM 2463 C ASP C 47 -7.884 10.106 -2.319 1.00 0.00 C ATOM 2464 O ASP C 47 -6.665 10.214 -2.451 1.00 0.00 O ATOM 2465 CB ASP C 47 -8.536 9.791 0.082 1.00 0.00 C ATOM 2466 CG ASP C 47 -9.791 9.417 0.846 1.00 0.00 C ATOM 2467 OD1 ASP C 47 -10.850 10.025 0.583 1.00 0.00 O ATOM 2468 OD2 ASP C 47 -9.716 8.515 1.707 1.00 0.00 O ATOM 0 H ASP C 47 -7.183 7.769 -0.371 1.00 0.00 H new ATOM 0 HA ASP C 47 -9.490 8.883 -1.615 1.00 0.00 H new ATOM 0 HB2 ASP C 47 -7.660 9.495 0.660 1.00 0.00 H new ATOM 0 HB3 ASP C 47 -8.492 10.874 -0.031 1.00 0.00 H new ATOM 2473 N ALA C 48 -8.755 10.804 -3.042 1.00 0.00 N ATOM 2474 CA ALA C 48 -8.322 11.759 -4.057 1.00 0.00 C ATOM 2475 C ALA C 48 -7.398 12.822 -3.471 1.00 0.00 C ATOM 2476 O ALA C 48 -7.630 13.327 -2.373 1.00 0.00 O ATOM 2477 CB ALA C 48 -9.529 12.412 -4.713 1.00 0.00 C ATOM 0 H ALA C 48 -9.767 10.726 -2.943 1.00 0.00 H new ATOM 0 HA ALA C 48 -7.758 11.210 -4.811 1.00 0.00 H new ATOM 0 HB1 ALA C 48 -9.193 13.122 -5.468 1.00 0.00 H new ATOM 0 HB2 ALA C 48 -10.146 11.646 -5.184 1.00 0.00 H new ATOM 0 HB3 ALA C 48 -10.115 12.936 -3.958 1.00 0.00 H new ATOM 2483 N THR C 49 -6.349 13.157 -4.218 1.00 0.00 N ATOM 2484 CA THR C 49 -5.381 14.160 -3.785 1.00 0.00 C ATOM 2485 C THR C 49 -5.166 15.212 -4.869 1.00 0.00 C ATOM 2486 O THR C 49 -5.403 14.957 -6.050 1.00 0.00 O ATOM 2487 CB THR C 49 -4.049 13.499 -3.431 1.00 0.00 C ATOM 2488 OG1 THR C 49 -4.233 12.490 -2.454 1.00 0.00 O ATOM 2489 CG2 THR C 49 -3.021 14.474 -2.896 1.00 0.00 C ATOM 0 H THR C 49 -6.148 12.746 -5.130 1.00 0.00 H new ATOM 0 HA THR C 49 -5.780 14.652 -2.898 1.00 0.00 H new ATOM 0 HB THR C 49 -3.677 13.080 -4.366 1.00 0.00 H new ATOM 0 HG1 THR C 49 -3.360 12.190 -2.125 1.00 0.00 H new ATOM 0 HG21 THR C 49 -2.099 13.940 -2.664 1.00 0.00 H new ATOM 0 HG22 THR C 49 -2.819 15.238 -3.647 1.00 0.00 H new ATOM 0 HG23 THR C 49 -3.404 14.946 -1.991 1.00 0.00 H new ATOM 2497 N LYS C 50 -4.717 16.393 -4.459 1.00 0.00 N ATOM 2498 CA LYS C 50 -4.472 17.481 -5.399 1.00 0.00 C ATOM 2499 C LYS C 50 -2.990 17.846 -5.429 1.00 0.00 C ATOM 2500 O LYS C 50 -2.334 17.916 -4.389 1.00 0.00 O ATOM 2501 CB LYS C 50 -5.305 18.709 -5.020 1.00 0.00 C ATOM 2502 CG LYS C 50 -5.744 19.539 -6.215 1.00 0.00 C ATOM 2503 CD LYS C 50 -7.198 19.969 -6.094 1.00 0.00 C ATOM 2504 CE LYS C 50 -8.141 18.906 -6.633 1.00 0.00 C ATOM 2505 NZ LYS C 50 -9.486 19.462 -6.947 1.00 0.00 N ATOM 0 H LYS C 50 -4.516 16.621 -3.485 1.00 0.00 H new ATOM 0 HA LYS C 50 -4.767 17.145 -6.393 1.00 0.00 H new ATOM 0 HB2 LYS C 50 -6.188 18.383 -4.471 1.00 0.00 H new ATOM 0 HB3 LYS C 50 -4.724 19.338 -4.345 1.00 0.00 H new ATOM 0 HG2 LYS C 50 -5.109 20.421 -6.299 1.00 0.00 H new ATOM 0 HG3 LYS C 50 -5.610 18.961 -7.129 1.00 0.00 H new ATOM 0 HD2 LYS C 50 -7.433 20.169 -5.049 1.00 0.00 H new ATOM 0 HD3 LYS C 50 -7.349 20.901 -6.639 1.00 0.00 H new ATOM 0 HE2 LYS C 50 -7.713 18.463 -7.532 1.00 0.00 H new ATOM 0 HE3 LYS C 50 -8.242 18.105 -5.900 1.00 0.00 H new ATOM 0 HZ1 LYS C 50 -9.972 18.835 -7.620 1.00 0.00 H new ATOM 0 HZ2 LYS C 50 -10.045 19.533 -6.073 1.00 0.00 H new ATOM 0 HZ3 LYS C 50 -9.381 20.407 -7.368 1.00 0.00 H new ATOM 2519 N THR C 51 -2.469 18.076 -6.630 1.00 0.00 N ATOM 2520 CA THR C 51 -1.065 18.429 -6.804 1.00 0.00 C ATOM 2521 C THR C 51 -0.927 19.565 -7.820 1.00 0.00 C ATOM 2522 O THR C 51 -1.431 19.475 -8.939 1.00 0.00 O ATOM 2523 CB THR C 51 -0.264 17.196 -7.243 1.00 0.00 C ATOM 2524 OG1 THR C 51 -0.217 16.242 -6.196 1.00 0.00 O ATOM 2525 CG2 THR C 51 1.165 17.504 -7.638 1.00 0.00 C ATOM 0 H THR C 51 -3.000 18.024 -7.499 1.00 0.00 H new ATOM 0 HA THR C 51 -0.663 18.776 -5.852 1.00 0.00 H new ATOM 0 HB THR C 51 -0.786 16.813 -8.120 1.00 0.00 H new ATOM 0 HG1 THR C 51 -1.093 16.192 -5.760 1.00 0.00 H new ATOM 0 HG21 THR C 51 1.667 16.583 -7.936 1.00 0.00 H new ATOM 0 HG22 THR C 51 1.169 18.206 -8.472 1.00 0.00 H new ATOM 0 HG23 THR C 51 1.690 17.945 -6.791 1.00 0.00 H new ATOM 2533 N PHE C 52 -0.244 20.635 -7.414 1.00 0.00 N ATOM 2534 CA PHE C 52 -0.042 21.798 -8.276 1.00 0.00 C ATOM 2535 C PHE C 52 1.098 21.574 -9.265 1.00 0.00 C ATOM 2536 O PHE C 52 2.225 21.279 -8.870 1.00 0.00 O ATOM 2537 CB PHE C 52 0.245 23.040 -7.430 1.00 0.00 C ATOM 2538 CG PHE C 52 0.276 24.316 -8.223 1.00 0.00 C ATOM 2539 CD1 PHE C 52 -0.902 24.942 -8.600 1.00 0.00 C ATOM 2540 CD2 PHE C 52 1.483 24.890 -8.591 1.00 0.00 C ATOM 2541 CE1 PHE C 52 -0.876 26.115 -9.330 1.00 0.00 C ATOM 2542 CE2 PHE C 52 1.514 26.064 -9.319 1.00 0.00 C ATOM 2543 CZ PHE C 52 0.333 26.678 -9.689 1.00 0.00 C ATOM 0 H PHE C 52 0.180 20.720 -6.490 1.00 0.00 H new ATOM 0 HA PHE C 52 -0.959 21.948 -8.845 1.00 0.00 H new ATOM 0 HB2 PHE C 52 -0.515 23.123 -6.653 1.00 0.00 H new ATOM 0 HB3 PHE C 52 1.203 22.912 -6.926 1.00 0.00 H new ATOM 0 HD1 PHE C 52 -1.851 24.508 -8.320 1.00 0.00 H new ATOM 0 HD2 PHE C 52 2.410 24.414 -8.305 1.00 0.00 H new ATOM 0 HE1 PHE C 52 -1.801 26.591 -9.620 1.00 0.00 H new ATOM 0 HE2 PHE C 52 2.461 26.501 -9.599 1.00 0.00 H new ATOM 0 HZ PHE C 52 0.355 27.596 -10.258 1.00 0.00 H new ATOM 2553 N THR C 53 0.801 21.736 -10.550 1.00 0.00 N ATOM 2554 CA THR C 53 1.809 21.570 -11.591 1.00 0.00 C ATOM 2555 C THR C 53 2.347 22.931 -12.028 1.00 0.00 C ATOM 2556 O THR C 53 1.585 23.799 -12.454 1.00 0.00 O ATOM 2557 CB THR C 53 1.219 20.825 -12.791 1.00 0.00 C ATOM 2558 OG1 THR C 53 0.732 19.554 -12.399 1.00 0.00 O ATOM 2559 CG2 THR C 53 2.216 20.607 -13.910 1.00 0.00 C ATOM 0 H THR C 53 -0.127 21.981 -10.895 1.00 0.00 H new ATOM 0 HA THR C 53 2.632 20.981 -11.186 1.00 0.00 H new ATOM 0 HB THR C 53 0.415 21.462 -13.161 1.00 0.00 H new ATOM 0 HG1 THR C 53 0.059 19.664 -11.695 1.00 0.00 H new ATOM 0 HG21 THR C 53 1.733 20.074 -14.729 1.00 0.00 H new ATOM 0 HG22 THR C 53 2.578 21.571 -14.268 1.00 0.00 H new ATOM 0 HG23 THR C 53 3.056 20.019 -13.540 1.00 0.00 H new ATOM 2567 N VAL C 54 3.658 23.116 -11.911 1.00 0.00 N ATOM 2568 CA VAL C 54 4.285 24.379 -12.289 1.00 0.00 C ATOM 2569 C VAL C 54 4.281 24.564 -13.801 1.00 0.00 C ATOM 2570 O VAL C 54 4.222 23.594 -14.556 1.00 0.00 O ATOM 2571 CB VAL C 54 5.738 24.476 -11.783 1.00 0.00 C ATOM 2572 CG1 VAL C 54 6.230 25.913 -11.853 1.00 0.00 C ATOM 2573 CG2 VAL C 54 5.859 23.934 -10.367 1.00 0.00 C ATOM 0 H VAL C 54 4.305 22.411 -11.559 1.00 0.00 H new ATOM 0 HA VAL C 54 3.695 25.166 -11.820 1.00 0.00 H new ATOM 0 HB VAL C 54 6.366 23.864 -12.431 1.00 0.00 H new ATOM 0 HG11 VAL C 54 7.257 25.964 -11.492 1.00 0.00 H new ATOM 0 HG12 VAL C 54 6.190 26.261 -12.885 1.00 0.00 H new ATOM 0 HG13 VAL C 54 5.596 26.545 -11.232 1.00 0.00 H new ATOM 0 HG21 VAL C 54 6.894 24.014 -10.034 1.00 0.00 H new ATOM 0 HG22 VAL C 54 5.218 24.511 -9.701 1.00 0.00 H new ATOM 0 HG23 VAL C 54 5.552 22.888 -10.350 1.00 0.00 H new ATOM 2583 N THR C 55 4.346 25.818 -14.237 1.00 0.00 N ATOM 2584 CA THR C 55 4.349 26.134 -15.659 1.00 0.00 C ATOM 2585 C THR C 55 5.115 27.425 -15.929 1.00 0.00 C ATOM 2586 O THR C 55 6.207 27.406 -16.496 1.00 0.00 O ATOM 2587 CB THR C 55 2.916 26.255 -16.177 1.00 0.00 C ATOM 2588 OG1 THR C 55 2.189 25.065 -15.923 1.00 0.00 O ATOM 2589 CG2 THR C 55 2.835 26.532 -17.663 1.00 0.00 C ATOM 0 H THR C 55 4.397 26.632 -13.624 1.00 0.00 H new ATOM 0 HA THR C 55 4.850 25.322 -16.186 1.00 0.00 H new ATOM 0 HB THR C 55 2.488 27.103 -15.643 1.00 0.00 H new ATOM 0 HG1 THR C 55 1.331 25.098 -16.396 1.00 0.00 H new ATOM 0 HG21 THR C 55 1.790 26.606 -17.963 1.00 0.00 H new ATOM 0 HG22 THR C 55 3.344 27.470 -17.887 1.00 0.00 H new ATOM 0 HG23 THR C 55 3.313 25.720 -18.211 1.00 0.00 H new ATOM 2597 N GLU C 56 4.531 28.544 -15.517 1.00 0.00 N ATOM 2598 CA GLU C 56 5.154 29.849 -15.708 1.00 0.00 C ATOM 2599 C GLU C 56 5.386 30.131 -17.189 1.00 0.00 C ATOM 2600 O GLU C 56 4.888 29.349 -18.025 1.00 0.00 O ATOM 2601 CB GLU C 56 6.479 29.924 -14.950 1.00 0.00 C ATOM 2602 CG GLU C 56 6.390 29.425 -13.517 1.00 0.00 C ATOM 2603 CD GLU C 56 7.747 29.092 -12.929 1.00 0.00 C ATOM 2604 OE1 GLU C 56 8.309 28.038 -13.292 1.00 0.00 O ATOM 2605 OE2 GLU C 56 8.248 29.886 -12.105 1.00 0.00 O ATOM 2606 OXT GLU C 56 6.062 31.135 -17.500 1.00 0.00 O ATOM 0 H GLU C 56 3.626 28.574 -15.048 1.00 0.00 H new ATOM 0 HA GLU C 56 4.476 30.606 -15.314 1.00 0.00 H new ATOM 0 HB2 GLU C 56 7.227 29.338 -15.484 1.00 0.00 H new ATOM 0 HB3 GLU C 56 6.827 30.957 -14.945 1.00 0.00 H new ATOM 0 HG2 GLU C 56 5.908 30.184 -12.901 1.00 0.00 H new ATOM 0 HG3 GLU C 56 5.757 28.539 -13.484 1.00 0.00 H new ATOM 2614 N MET D 1 0.673 2.478 -12.136 1.00 0.00 N ATOM 2615 CA MET D 1 -0.160 2.170 -10.944 1.00 0.00 C ATOM 2616 C MET D 1 0.690 2.097 -9.679 1.00 0.00 C ATOM 2617 O MET D 1 1.505 1.190 -9.519 1.00 0.00 O ATOM 2618 CB MET D 1 -0.876 0.839 -11.181 1.00 0.00 C ATOM 2619 CG MET D 1 -1.943 0.527 -10.144 1.00 0.00 C ATOM 2620 SD MET D 1 -3.441 1.506 -10.372 1.00 0.00 S ATOM 2621 CE MET D 1 -3.051 2.954 -9.394 1.00 0.00 C ATOM 0 H1 MET D 1 0.132 3.076 -12.792 1.00 0.00 H new ATOM 0 H2 MET D 1 1.533 2.981 -11.838 1.00 0.00 H new ATOM 0 H3 MET D 1 0.938 1.592 -12.613 1.00 0.00 H new ATOM 0 HA MET D 1 -0.889 2.968 -10.801 1.00 0.00 H new ATOM 0 HB2 MET D 1 -1.336 0.855 -12.169 1.00 0.00 H new ATOM 0 HB3 MET D 1 -0.139 0.036 -11.185 1.00 0.00 H new ATOM 0 HG2 MET D 1 -2.195 -0.532 -10.195 1.00 0.00 H new ATOM 0 HG3 MET D 1 -1.541 0.712 -9.148 1.00 0.00 H new ATOM 0 HE1 MET D 1 -3.938 3.274 -8.848 1.00 0.00 H new ATOM 0 HE2 MET D 1 -2.257 2.713 -8.687 1.00 0.00 H new ATOM 0 HE3 MET D 1 -2.719 3.758 -10.051 1.00 0.00 H new ATOM 2633 N GLN D 2 0.476 3.048 -8.778 1.00 0.00 N ATOM 2634 CA GLN D 2 1.211 3.083 -7.516 1.00 0.00 C ATOM 2635 C GLN D 2 0.441 2.326 -6.442 1.00 0.00 C ATOM 2636 O GLN D 2 -0.738 2.594 -6.206 1.00 0.00 O ATOM 2637 CB GLN D 2 1.464 4.526 -7.075 1.00 0.00 C ATOM 2638 CG GLN D 2 0.196 5.304 -6.769 1.00 0.00 C ATOM 2639 CD GLN D 2 0.311 6.769 -7.146 1.00 0.00 C ATOM 2640 OE1 GLN D 2 0.265 7.650 -6.287 1.00 0.00 O ATOM 2641 NE2 GLN D 2 0.467 7.036 -8.438 1.00 0.00 N ATOM 0 H GLN D 2 -0.198 3.804 -8.896 1.00 0.00 H new ATOM 0 HA GLN D 2 2.177 2.600 -7.664 1.00 0.00 H new ATOM 0 HB2 GLN D 2 2.098 4.519 -6.188 1.00 0.00 H new ATOM 0 HB3 GLN D 2 2.017 5.044 -7.859 1.00 0.00 H new ATOM 0 HG2 GLN D 2 -0.640 4.858 -7.308 1.00 0.00 H new ATOM 0 HG3 GLN D 2 -0.030 5.222 -5.706 1.00 0.00 H new ATOM 0 HE21 GLN D 2 0.500 6.274 -9.116 1.00 0.00 H new ATOM 0 HE22 GLN D 2 0.554 8.003 -8.752 1.00 0.00 H new ATOM 2650 N TYR D 3 1.101 1.360 -5.811 1.00 0.00 N ATOM 2651 CA TYR D 3 0.458 0.550 -4.785 1.00 0.00 C ATOM 2652 C TYR D 3 0.992 0.850 -3.388 1.00 0.00 C ATOM 2653 O TYR D 3 2.202 0.941 -3.169 1.00 0.00 O ATOM 2654 CB TYR D 3 0.637 -0.934 -5.097 1.00 0.00 C ATOM 2655 CG TYR D 3 -0.331 -1.451 -6.136 1.00 0.00 C ATOM 2656 CD1 TYR D 3 -1.581 -1.933 -5.770 1.00 0.00 C ATOM 2657 CD2 TYR D 3 0.005 -1.455 -7.484 1.00 0.00 C ATOM 2658 CE1 TYR D 3 -2.470 -2.405 -6.717 1.00 0.00 C ATOM 2659 CE2 TYR D 3 -0.879 -1.924 -8.438 1.00 0.00 C ATOM 2660 CZ TYR D 3 -2.115 -2.398 -8.049 1.00 0.00 C ATOM 2661 OH TYR D 3 -2.997 -2.866 -8.995 1.00 0.00 O ATOM 0 H TYR D 3 2.076 1.121 -5.992 1.00 0.00 H new ATOM 0 HA TYR D 3 -0.602 0.806 -4.793 1.00 0.00 H new ATOM 0 HB2 TYR D 3 1.656 -1.104 -5.444 1.00 0.00 H new ATOM 0 HB3 TYR D 3 0.513 -1.508 -4.179 1.00 0.00 H new ATOM 0 HD1 TYR D 3 -1.863 -1.939 -4.728 1.00 0.00 H new ATOM 0 HD2 TYR D 3 0.972 -1.086 -7.792 1.00 0.00 H new ATOM 0 HE1 TYR D 3 -3.438 -2.777 -6.415 1.00 0.00 H new ATOM 0 HE2 TYR D 3 -0.603 -1.919 -9.482 1.00 0.00 H new ATOM 0 HH TYR D 3 -3.245 -3.790 -8.782 1.00 0.00 H new ATOM 2671 N LYS D 4 0.061 0.989 -2.449 1.00 0.00 N ATOM 2672 CA LYS D 4 0.394 1.264 -1.056 1.00 0.00 C ATOM 2673 C LYS D 4 0.175 0.020 -0.199 1.00 0.00 C ATOM 2674 O LYS D 4 -0.901 -0.576 -0.219 1.00 0.00 O ATOM 2675 CB LYS D 4 -0.455 2.420 -0.523 1.00 0.00 C ATOM 2676 CG LYS D 4 0.245 3.253 0.539 1.00 0.00 C ATOM 2677 CD LYS D 4 -0.700 4.265 1.167 1.00 0.00 C ATOM 2678 CE LYS D 4 -1.543 3.633 2.263 1.00 0.00 C ATOM 2679 NZ LYS D 4 -2.236 4.660 3.092 1.00 0.00 N ATOM 0 H LYS D 4 -0.940 0.915 -2.631 1.00 0.00 H new ATOM 0 HA LYS D 4 1.446 1.546 -1.005 1.00 0.00 H new ATOM 0 HB2 LYS D 4 -0.734 3.067 -1.354 1.00 0.00 H new ATOM 0 HB3 LYS D 4 -1.379 2.019 -0.107 1.00 0.00 H new ATOM 0 HG2 LYS D 4 0.644 2.597 1.313 1.00 0.00 H new ATOM 0 HG3 LYS D 4 1.093 3.773 0.094 1.00 0.00 H new ATOM 0 HD2 LYS D 4 -0.125 5.094 1.581 1.00 0.00 H new ATOM 0 HD3 LYS D 4 -1.352 4.681 0.399 1.00 0.00 H new ATOM 0 HE2 LYS D 4 -2.282 2.969 1.815 1.00 0.00 H new ATOM 0 HE3 LYS D 4 -0.908 3.019 2.901 1.00 0.00 H new ATOM 0 HZ1 LYS D 4 -2.800 4.189 3.828 1.00 0.00 H new ATOM 0 HZ2 LYS D 4 -1.530 5.279 3.540 1.00 0.00 H new ATOM 0 HZ3 LYS D 4 -2.862 5.230 2.487 1.00 0.00 H new ATOM 2693 N VAL D 5 1.203 -0.370 0.548 1.00 0.00 N ATOM 2694 CA VAL D 5 1.118 -1.550 1.406 1.00 0.00 C ATOM 2695 C VAL D 5 1.801 -1.313 2.748 1.00 0.00 C ATOM 2696 O VAL D 5 2.945 -0.860 2.802 1.00 0.00 O ATOM 2697 CB VAL D 5 1.748 -2.783 0.730 1.00 0.00 C ATOM 2698 CG1 VAL D 5 1.477 -4.038 1.546 1.00 0.00 C ATOM 2699 CG2 VAL D 5 1.226 -2.940 -0.690 1.00 0.00 C ATOM 0 H VAL D 5 2.102 0.111 0.578 1.00 0.00 H new ATOM 0 HA VAL D 5 0.058 -1.738 1.575 1.00 0.00 H new ATOM 0 HB VAL D 5 2.827 -2.635 0.682 1.00 0.00 H new ATOM 0 HG11 VAL D 5 1.930 -4.898 1.052 1.00 0.00 H new ATOM 0 HG12 VAL D 5 1.905 -3.924 2.542 1.00 0.00 H new ATOM 0 HG13 VAL D 5 0.401 -4.193 1.629 1.00 0.00 H new ATOM 0 HG21 VAL D 5 1.683 -3.816 -1.151 1.00 0.00 H new ATOM 0 HG22 VAL D 5 0.143 -3.064 -0.668 1.00 0.00 H new ATOM 0 HG23 VAL D 5 1.478 -2.052 -1.270 1.00 0.00 H new ATOM 2709 N ILE D 6 1.095 -1.629 3.831 1.00 0.00 N ATOM 2710 CA ILE D 6 1.635 -1.458 5.176 1.00 0.00 C ATOM 2711 C ILE D 6 2.210 -2.768 5.710 1.00 0.00 C ATOM 2712 O ILE D 6 1.570 -3.816 5.625 1.00 0.00 O ATOM 2713 CB ILE D 6 0.558 -0.950 6.158 1.00 0.00 C ATOM 2714 CG1 ILE D 6 -0.280 0.159 5.516 1.00 0.00 C ATOM 2715 CG2 ILE D 6 1.208 -0.451 7.439 1.00 0.00 C ATOM 2716 CD1 ILE D 6 -1.501 0.538 6.327 1.00 0.00 C ATOM 0 H ILE D 6 0.147 -2.005 3.803 1.00 0.00 H new ATOM 0 HA ILE D 6 2.430 -0.716 5.102 1.00 0.00 H new ATOM 0 HB ILE D 6 -0.105 -1.780 6.403 1.00 0.00 H new ATOM 0 HG12 ILE D 6 0.344 1.042 5.379 1.00 0.00 H new ATOM 0 HG13 ILE D 6 -0.598 -0.164 4.525 1.00 0.00 H new ATOM 0 HG21 ILE D 6 0.438 -0.095 8.123 1.00 0.00 H new ATOM 0 HG22 ILE D 6 1.762 -1.265 7.907 1.00 0.00 H new ATOM 0 HG23 ILE D 6 1.891 0.366 7.206 1.00 0.00 H new ATOM 0 HD11 ILE D 6 -2.048 1.329 5.813 1.00 0.00 H new ATOM 0 HD12 ILE D 6 -2.146 -0.333 6.442 1.00 0.00 H new ATOM 0 HD13 ILE D 6 -1.190 0.892 7.310 1.00 0.00 H new ATOM 2728 N LEU D 7 3.412 -2.700 6.271 1.00 0.00 N ATOM 2729 CA LEU D 7 4.066 -3.879 6.834 1.00 0.00 C ATOM 2730 C LEU D 7 4.653 -3.555 8.204 1.00 0.00 C ATOM 2731 O LEU D 7 5.504 -2.673 8.332 1.00 0.00 O ATOM 2732 CB LEU D 7 5.160 -4.394 5.891 1.00 0.00 C ATOM 2733 CG LEU D 7 4.724 -5.513 4.939 1.00 0.00 C ATOM 2734 CD1 LEU D 7 4.430 -4.954 3.556 1.00 0.00 C ATOM 2735 CD2 LEU D 7 5.786 -6.603 4.858 1.00 0.00 C ATOM 0 H LEU D 7 3.955 -1.840 6.349 1.00 0.00 H new ATOM 0 HA LEU D 7 3.319 -4.664 6.951 1.00 0.00 H new ATOM 0 HB2 LEU D 7 5.530 -3.558 5.298 1.00 0.00 H new ATOM 0 HB3 LEU D 7 5.996 -4.754 6.491 1.00 0.00 H new ATOM 0 HG LEU D 7 3.810 -5.957 5.335 1.00 0.00 H new ATOM 0 HD11 LEU D 7 4.122 -5.764 2.894 1.00 0.00 H new ATOM 0 HD12 LEU D 7 3.630 -4.217 3.624 1.00 0.00 H new ATOM 0 HD13 LEU D 7 5.327 -4.480 3.157 1.00 0.00 H new ATOM 0 HD21 LEU D 7 5.453 -7.386 4.176 1.00 0.00 H new ATOM 0 HD22 LEU D 7 6.719 -6.175 4.491 1.00 0.00 H new ATOM 0 HD23 LEU D 7 5.947 -7.029 5.848 1.00 0.00 H new ATOM 2950 N ASP D 22 7.232 -8.268 7.742 1.00 0.00 N ATOM 2951 CA ASP D 22 8.453 -7.516 8.010 1.00 0.00 C ATOM 2952 C ASP D 22 8.872 -6.692 6.803 1.00 0.00 C ATOM 2953 O ASP D 22 8.724 -7.115 5.658 1.00 0.00 O ATOM 2954 CB ASP D 22 9.581 -8.470 8.405 1.00 0.00 C ATOM 2955 CG ASP D 22 10.844 -7.737 8.813 1.00 0.00 C ATOM 2956 OD1 ASP D 22 11.619 -7.342 7.916 1.00 0.00 O ATOM 2957 OD2 ASP D 22 11.059 -7.558 10.030 1.00 0.00 O ATOM 0 HA ASP D 22 8.251 -6.832 8.834 1.00 0.00 H new ATOM 0 HB2 ASP D 22 9.248 -9.100 9.230 1.00 0.00 H new ATOM 0 HB3 ASP D 22 9.803 -9.132 7.568 1.00 0.00 H new ATOM 2962 N ALA D 23 9.398 -5.508 7.078 1.00 0.00 N ATOM 2963 CA ALA D 23 9.851 -4.600 6.038 1.00 0.00 C ATOM 2964 C ALA D 23 10.776 -5.306 5.047 1.00 0.00 C ATOM 2965 O ALA D 23 10.656 -5.126 3.835 1.00 0.00 O ATOM 2966 CB ALA D 23 10.545 -3.414 6.682 1.00 0.00 C ATOM 0 H ALA D 23 9.522 -5.151 8.026 1.00 0.00 H new ATOM 0 HA ALA D 23 8.988 -4.249 5.473 1.00 0.00 H new ATOM 0 HB1 ALA D 23 10.888 -2.728 5.907 1.00 0.00 H new ATOM 0 HB2 ALA D 23 9.847 -2.898 7.341 1.00 0.00 H new ATOM 0 HB3 ALA D 23 11.400 -3.763 7.261 1.00 0.00 H new ATOM 2972 N ALA D 24 11.695 -6.112 5.572 1.00 0.00 N ATOM 2973 CA ALA D 24 12.636 -6.850 4.736 1.00 0.00 C ATOM 2974 C ALA D 24 11.917 -7.903 3.897 1.00 0.00 C ATOM 2975 O ALA D 24 12.323 -8.203 2.774 1.00 0.00 O ATOM 2976 CB ALA D 24 13.709 -7.501 5.597 1.00 0.00 C ATOM 0 H ALA D 24 11.808 -6.270 6.573 1.00 0.00 H new ATOM 0 HA ALA D 24 13.111 -6.143 4.056 1.00 0.00 H new ATOM 0 HB1 ALA D 24 14.404 -8.048 4.960 1.00 0.00 H new ATOM 0 HB2 ALA D 24 14.250 -6.732 6.148 1.00 0.00 H new ATOM 0 HB3 ALA D 24 13.242 -8.190 6.301 1.00 0.00 H new ATOM 2982 N THR D 25 10.842 -8.458 4.452 1.00 0.00 N ATOM 2983 CA THR D 25 10.058 -9.477 3.759 1.00 0.00 C ATOM 2984 C THR D 25 9.437 -8.898 2.492 1.00 0.00 C ATOM 2985 O THR D 25 9.424 -9.540 1.443 1.00 0.00 O ATOM 2986 CB THR D 25 8.968 -10.021 4.690 1.00 0.00 C ATOM 2987 OG1 THR D 25 9.546 -10.760 5.753 1.00 0.00 O ATOM 2988 CG2 THR D 25 7.964 -10.923 4.003 1.00 0.00 C ATOM 0 H THR D 25 10.494 -8.219 5.380 1.00 0.00 H new ATOM 0 HA THR D 25 10.718 -10.297 3.474 1.00 0.00 H new ATOM 0 HB THR D 25 8.440 -9.138 5.050 1.00 0.00 H new ATOM 0 HG1 THR D 25 8.837 -11.099 6.339 1.00 0.00 H new ATOM 0 HG21 THR D 25 7.227 -11.266 4.729 1.00 0.00 H new ATOM 0 HG22 THR D 25 7.462 -10.370 3.209 1.00 0.00 H new ATOM 0 HG23 THR D 25 8.480 -11.783 3.576 1.00 0.00 H new ATOM 2996 N PHE D 26 8.935 -7.673 2.598 1.00 0.00 N ATOM 2997 CA PHE D 26 8.326 -6.995 1.460 1.00 0.00 C ATOM 2998 C PHE D 26 9.359 -6.725 0.368 1.00 0.00 C ATOM 2999 O PHE D 26 9.163 -7.088 -0.792 1.00 0.00 O ATOM 3000 CB PHE D 26 7.681 -5.681 1.900 1.00 0.00 C ATOM 3001 CG PHE D 26 6.934 -4.989 0.797 1.00 0.00 C ATOM 3002 CD1 PHE D 26 7.575 -4.080 -0.030 1.00 0.00 C ATOM 3003 CD2 PHE D 26 5.590 -5.249 0.583 1.00 0.00 C ATOM 3004 CE1 PHE D 26 6.891 -3.444 -1.048 1.00 0.00 C ATOM 3005 CE2 PHE D 26 4.900 -4.617 -0.434 1.00 0.00 C ATOM 3006 CZ PHE D 26 5.551 -3.714 -1.251 1.00 0.00 C ATOM 0 H PHE D 26 8.938 -7.129 3.461 1.00 0.00 H new ATOM 0 HA PHE D 26 7.555 -7.650 1.055 1.00 0.00 H new ATOM 0 HB2 PHE D 26 6.997 -5.878 2.725 1.00 0.00 H new ATOM 0 HB3 PHE D 26 8.455 -5.014 2.280 1.00 0.00 H new ATOM 0 HD1 PHE D 26 8.622 -3.866 0.123 1.00 0.00 H new ATOM 0 HD2 PHE D 26 5.075 -5.954 1.219 1.00 0.00 H new ATOM 0 HE1 PHE D 26 7.403 -2.737 -1.684 1.00 0.00 H new ATOM 0 HE2 PHE D 26 3.853 -4.829 -0.590 1.00 0.00 H new ATOM 0 HZ PHE D 26 5.014 -3.220 -2.047 1.00 0.00 H new ATOM 3016 N GLU D 27 10.453 -6.073 0.750 1.00 0.00 N ATOM 3017 CA GLU D 27 11.518 -5.732 -0.190 1.00 0.00 C ATOM 3018 C GLU D 27 12.030 -6.956 -0.947 1.00 0.00 C ATOM 3019 O GLU D 27 12.179 -6.921 -2.168 1.00 0.00 O ATOM 3020 CB GLU D 27 12.678 -5.062 0.552 1.00 0.00 C ATOM 3021 CG GLU D 27 12.313 -3.723 1.170 1.00 0.00 C ATOM 3022 CD GLU D 27 13.291 -3.291 2.245 1.00 0.00 C ATOM 3023 OE1 GLU D 27 14.483 -3.103 1.922 1.00 0.00 O ATOM 3024 OE2 GLU D 27 12.865 -3.138 3.410 1.00 0.00 O ATOM 0 H GLU D 27 10.626 -5.769 1.708 1.00 0.00 H new ATOM 0 HA GLU D 27 11.098 -5.042 -0.921 1.00 0.00 H new ATOM 0 HB2 GLU D 27 13.031 -5.731 1.337 1.00 0.00 H new ATOM 0 HB3 GLU D 27 13.507 -4.919 -0.141 1.00 0.00 H new ATOM 0 HG2 GLU D 27 12.279 -2.964 0.389 1.00 0.00 H new ATOM 0 HG3 GLU D 27 11.312 -3.785 1.598 1.00 0.00 H new ATOM 3031 N LYS D 28 12.329 -8.026 -0.216 1.00 0.00 N ATOM 3032 CA LYS D 28 12.859 -9.242 -0.825 1.00 0.00 C ATOM 3033 C LYS D 28 11.845 -9.919 -1.748 1.00 0.00 C ATOM 3034 O LYS D 28 12.167 -10.249 -2.890 1.00 0.00 O ATOM 3035 CB LYS D 28 13.301 -10.224 0.261 1.00 0.00 C ATOM 3036 CG LYS D 28 14.011 -11.454 -0.282 1.00 0.00 C ATOM 3037 CD LYS D 28 14.402 -12.410 0.834 1.00 0.00 C ATOM 3038 CE LYS D 28 13.236 -13.295 1.243 1.00 0.00 C ATOM 3039 NZ LYS D 28 13.623 -14.272 2.298 1.00 0.00 N ATOM 0 H LYS D 28 12.214 -8.076 0.796 1.00 0.00 H new ATOM 0 HA LYS D 28 13.715 -8.950 -1.433 1.00 0.00 H new ATOM 0 HB2 LYS D 28 13.964 -9.709 0.956 1.00 0.00 H new ATOM 0 HB3 LYS D 28 12.427 -10.541 0.830 1.00 0.00 H new ATOM 0 HG2 LYS D 28 13.361 -11.967 -0.991 1.00 0.00 H new ATOM 0 HG3 LYS D 28 14.902 -11.149 -0.830 1.00 0.00 H new ATOM 0 HD2 LYS D 28 15.235 -13.032 0.506 1.00 0.00 H new ATOM 0 HD3 LYS D 28 14.749 -11.841 1.697 1.00 0.00 H new ATOM 0 HE2 LYS D 28 12.418 -12.673 1.607 1.00 0.00 H new ATOM 0 HE3 LYS D 28 12.864 -13.832 0.370 1.00 0.00 H new ATOM 0 HZ1 LYS D 28 12.800 -14.856 2.549 1.00 0.00 H new ATOM 0 HZ2 LYS D 28 14.386 -14.883 1.942 1.00 0.00 H new ATOM 0 HZ3 LYS D 28 13.954 -13.760 3.141 1.00 0.00 H new ATOM 3053 N VAL D 29 10.629 -10.133 -1.257 1.00 0.00 N ATOM 3054 CA VAL D 29 9.588 -10.780 -2.054 1.00 0.00 C ATOM 3055 C VAL D 29 9.242 -9.974 -3.304 1.00 0.00 C ATOM 3056 O VAL D 29 9.008 -10.540 -4.371 1.00 0.00 O ATOM 3057 CB VAL D 29 8.300 -10.995 -1.235 1.00 0.00 C ATOM 3058 CG1 VAL D 29 7.234 -11.684 -2.078 1.00 0.00 C ATOM 3059 CG2 VAL D 29 8.593 -11.795 0.026 1.00 0.00 C ATOM 0 H VAL D 29 10.339 -9.870 -0.315 1.00 0.00 H new ATOM 0 HA VAL D 29 9.995 -11.746 -2.354 1.00 0.00 H new ATOM 0 HB VAL D 29 7.917 -10.019 -0.937 1.00 0.00 H new ATOM 0 HG11 VAL D 29 6.333 -11.826 -1.481 1.00 0.00 H new ATOM 0 HG12 VAL D 29 7.001 -11.066 -2.945 1.00 0.00 H new ATOM 0 HG13 VAL D 29 7.604 -12.653 -2.412 1.00 0.00 H new ATOM 0 HG21 VAL D 29 7.671 -11.936 0.590 1.00 0.00 H new ATOM 0 HG22 VAL D 29 9.003 -12.767 -0.247 1.00 0.00 H new ATOM 0 HG23 VAL D 29 9.315 -11.256 0.639 1.00 0.00 H new ATOM 3069 N VAL D 30 9.196 -8.654 -3.162 1.00 0.00 N ATOM 3070 CA VAL D 30 8.858 -7.779 -4.279 1.00 0.00 C ATOM 3071 C VAL D 30 9.955 -7.766 -5.339 1.00 0.00 C ATOM 3072 O VAL D 30 9.670 -7.875 -6.531 1.00 0.00 O ATOM 3073 CB VAL D 30 8.572 -6.339 -3.800 1.00 0.00 C ATOM 3074 CG1 VAL D 30 8.218 -5.433 -4.972 1.00 0.00 C ATOM 3075 CG2 VAL D 30 7.452 -6.342 -2.772 1.00 0.00 C ATOM 0 H VAL D 30 9.388 -8.167 -2.287 1.00 0.00 H new ATOM 0 HA VAL D 30 7.952 -8.183 -4.730 1.00 0.00 H new ATOM 0 HB VAL D 30 9.476 -5.947 -3.335 1.00 0.00 H new ATOM 0 HG11 VAL D 30 8.021 -4.425 -4.606 1.00 0.00 H new ATOM 0 HG12 VAL D 30 9.049 -5.408 -5.676 1.00 0.00 H new ATOM 0 HG13 VAL D 30 7.329 -5.817 -5.473 1.00 0.00 H new ATOM 0 HG21 VAL D 30 7.259 -5.321 -2.441 1.00 0.00 H new ATOM 0 HG22 VAL D 30 6.548 -6.755 -3.220 1.00 0.00 H new ATOM 0 HG23 VAL D 30 7.745 -6.951 -1.917 1.00 0.00 H new ATOM 3085 N LYS D 31 11.207 -7.641 -4.913 1.00 0.00 N ATOM 3086 CA LYS D 31 12.322 -7.627 -5.850 1.00 0.00 C ATOM 3087 C LYS D 31 12.432 -8.968 -6.571 1.00 0.00 C ATOM 3088 O LYS D 31 12.606 -9.021 -7.787 1.00 0.00 O ATOM 3089 CB LYS D 31 13.628 -7.320 -5.116 1.00 0.00 C ATOM 3090 CG LYS D 31 14.798 -7.032 -6.043 1.00 0.00 C ATOM 3091 CD LYS D 31 16.056 -6.689 -5.262 1.00 0.00 C ATOM 3092 CE LYS D 31 17.285 -6.686 -6.157 1.00 0.00 C ATOM 3093 NZ LYS D 31 18.348 -5.783 -5.638 1.00 0.00 N ATOM 0 H LYS D 31 11.473 -7.549 -3.933 1.00 0.00 H new ATOM 0 HA LYS D 31 12.140 -6.847 -6.589 1.00 0.00 H new ATOM 0 HB2 LYS D 31 13.474 -6.461 -4.463 1.00 0.00 H new ATOM 0 HB3 LYS D 31 13.882 -8.165 -4.477 1.00 0.00 H new ATOM 0 HG2 LYS D 31 14.986 -7.901 -6.674 1.00 0.00 H new ATOM 0 HG3 LYS D 31 14.543 -6.205 -6.706 1.00 0.00 H new ATOM 0 HD2 LYS D 31 15.941 -5.710 -4.797 1.00 0.00 H new ATOM 0 HD3 LYS D 31 16.193 -7.410 -4.456 1.00 0.00 H new ATOM 0 HE2 LYS D 31 17.678 -7.700 -6.238 1.00 0.00 H new ATOM 0 HE3 LYS D 31 17.001 -6.373 -7.162 1.00 0.00 H new ATOM 0 HZ1 LYS D 31 19.168 -5.810 -6.277 1.00 0.00 H new ATOM 0 HZ2 LYS D 31 17.982 -4.811 -5.585 1.00 0.00 H new ATOM 0 HZ3 LYS D 31 18.637 -6.097 -4.690 1.00 0.00 H new ATOM 3107 N GLN D 32 12.321 -10.049 -5.808 1.00 0.00 N ATOM 3108 CA GLN D 32 12.403 -11.394 -6.367 1.00 0.00 C ATOM 3109 C GLN D 32 11.247 -11.668 -7.326 1.00 0.00 C ATOM 3110 O GLN D 32 11.444 -12.227 -8.405 1.00 0.00 O ATOM 3111 CB GLN D 32 12.410 -12.435 -5.246 1.00 0.00 C ATOM 3112 CG GLN D 32 12.765 -13.833 -5.721 1.00 0.00 C ATOM 3113 CD GLN D 32 14.197 -13.936 -6.210 1.00 0.00 C ATOM 3114 OE1 GLN D 32 15.140 -13.668 -5.466 1.00 0.00 O ATOM 3115 NE2 GLN D 32 14.366 -14.327 -7.468 1.00 0.00 N ATOM 0 H GLN D 32 12.174 -10.021 -4.799 1.00 0.00 H new ATOM 0 HA GLN D 32 13.334 -11.465 -6.929 1.00 0.00 H new ATOM 0 HB2 GLN D 32 13.122 -12.128 -4.480 1.00 0.00 H new ATOM 0 HB3 GLN D 32 11.427 -12.458 -4.776 1.00 0.00 H new ATOM 0 HG2 GLN D 32 12.612 -14.540 -4.906 1.00 0.00 H new ATOM 0 HG3 GLN D 32 12.089 -14.122 -6.525 1.00 0.00 H new ATOM 0 HE21 GLN D 32 13.555 -14.539 -8.049 1.00 0.00 H new ATOM 0 HE22 GLN D 32 15.307 -14.415 -7.853 1.00 0.00 H new ATOM 3124 N PHE D 33 10.041 -11.265 -6.931 1.00 0.00 N ATOM 3125 CA PHE D 33 8.846 -11.452 -7.747 1.00 0.00 C ATOM 3126 C PHE D 33 8.855 -10.616 -9.028 1.00 0.00 C ATOM 3127 O PHE D 33 8.564 -11.133 -10.106 1.00 0.00 O ATOM 3128 CB PHE D 33 7.609 -11.182 -6.871 1.00 0.00 C ATOM 3129 CG PHE D 33 6.356 -10.776 -7.599 1.00 0.00 C ATOM 3130 CD1 PHE D 33 5.785 -11.568 -8.583 1.00 0.00 C ATOM 3131 CD2 PHE D 33 5.728 -9.591 -7.252 1.00 0.00 C ATOM 3132 CE1 PHE D 33 4.614 -11.173 -9.214 1.00 0.00 C ATOM 3133 CE2 PHE D 33 4.564 -9.192 -7.874 1.00 0.00 C ATOM 3134 CZ PHE D 33 4.005 -9.982 -8.857 1.00 0.00 C ATOM 0 H PHE D 33 9.866 -10.801 -6.039 1.00 0.00 H new ATOM 0 HA PHE D 33 8.820 -12.483 -8.100 1.00 0.00 H new ATOM 0 HB2 PHE D 33 7.394 -12.082 -6.295 1.00 0.00 H new ATOM 0 HB3 PHE D 33 7.860 -10.398 -6.156 1.00 0.00 H new ATOM 0 HD1 PHE D 33 6.255 -12.500 -8.861 1.00 0.00 H new ATOM 0 HD2 PHE D 33 6.158 -8.969 -6.481 1.00 0.00 H new ATOM 0 HE1 PHE D 33 4.178 -11.794 -9.983 1.00 0.00 H new ATOM 0 HE2 PHE D 33 4.091 -8.263 -7.592 1.00 0.00 H new ATOM 0 HZ PHE D 33 3.094 -9.672 -9.347 1.00 0.00 H new ATOM 3144 N PHE D 34 9.178 -9.335 -8.914 1.00 0.00 N ATOM 3145 CA PHE D 34 9.204 -8.462 -10.084 1.00 0.00 C ATOM 3146 C PHE D 34 10.468 -8.640 -10.939 1.00 0.00 C ATOM 3147 O PHE D 34 10.411 -8.500 -12.160 1.00 0.00 O ATOM 3148 CB PHE D 34 8.994 -7.007 -9.673 1.00 0.00 C ATOM 3149 CG PHE D 34 7.551 -6.717 -9.361 1.00 0.00 C ATOM 3150 CD1 PHE D 34 6.574 -6.944 -10.319 1.00 0.00 C ATOM 3151 CD2 PHE D 34 7.164 -6.255 -8.113 1.00 0.00 C ATOM 3152 CE1 PHE D 34 5.241 -6.709 -10.042 1.00 0.00 C ATOM 3153 CE2 PHE D 34 5.829 -6.021 -7.829 1.00 0.00 C ATOM 3154 CZ PHE D 34 4.867 -6.248 -8.797 1.00 0.00 C ATOM 0 H PHE D 34 9.423 -8.879 -8.035 1.00 0.00 H new ATOM 0 HA PHE D 34 8.373 -8.760 -10.724 1.00 0.00 H new ATOM 0 HB2 PHE D 34 9.607 -6.784 -8.799 1.00 0.00 H new ATOM 0 HB3 PHE D 34 9.332 -6.350 -10.475 1.00 0.00 H new ATOM 0 HD1 PHE D 34 6.859 -7.309 -11.295 1.00 0.00 H new ATOM 0 HD2 PHE D 34 7.911 -6.076 -7.354 1.00 0.00 H new ATOM 0 HE1 PHE D 34 4.492 -6.886 -10.800 1.00 0.00 H new ATOM 0 HE2 PHE D 34 5.539 -5.662 -6.853 1.00 0.00 H new ATOM 0 HZ PHE D 34 3.825 -6.065 -8.578 1.00 0.00 H new ATOM 3164 N ASN D 35 11.601 -8.965 -10.314 1.00 0.00 N ATOM 3165 CA ASN D 35 12.845 -9.170 -11.070 1.00 0.00 C ATOM 3166 C ASN D 35 12.643 -10.187 -12.199 1.00 0.00 C ATOM 3167 O ASN D 35 13.307 -10.123 -13.234 1.00 0.00 O ATOM 3168 CB ASN D 35 13.990 -9.615 -10.147 1.00 0.00 C ATOM 3169 CG ASN D 35 14.679 -8.458 -9.435 1.00 0.00 C ATOM 3170 OD1 ASN D 35 15.866 -8.539 -9.119 1.00 0.00 O ATOM 3171 ND2 ASN D 35 13.954 -7.373 -9.186 1.00 0.00 N ATOM 0 H ASN D 35 11.687 -9.091 -9.305 1.00 0.00 H new ATOM 0 HA ASN D 35 13.119 -8.213 -11.515 1.00 0.00 H new ATOM 0 HB2 ASN D 35 13.598 -10.308 -9.403 1.00 0.00 H new ATOM 0 HB3 ASN D 35 14.728 -10.162 -10.734 1.00 0.00 H new ATOM 0 HD21 ASN D 35 14.379 -6.572 -8.719 1.00 0.00 H new ATOM 0 HD22 ASN D 35 12.973 -7.341 -9.462 1.00 0.00 H new ATOM 3178 N ASP D 36 11.717 -11.113 -11.987 1.00 0.00 N ATOM 3179 CA ASP D 36 11.393 -12.150 -12.970 1.00 0.00 C ATOM 3180 C ASP D 36 10.875 -11.555 -14.286 1.00 0.00 C ATOM 3181 O ASP D 36 10.839 -12.237 -15.311 1.00 0.00 O ATOM 3182 CB ASP D 36 10.365 -13.124 -12.393 1.00 0.00 C ATOM 3183 CG ASP D 36 10.828 -13.746 -11.090 1.00 0.00 C ATOM 3184 OD1 ASP D 36 12.008 -14.150 -11.011 1.00 0.00 O ATOM 3185 OD2 ASP D 36 10.013 -13.828 -10.147 1.00 0.00 O ATOM 0 H ASP D 36 11.167 -11.170 -11.130 1.00 0.00 H new ATOM 0 HA ASP D 36 12.315 -12.686 -13.193 1.00 0.00 H new ATOM 0 HB2 ASP D 36 9.424 -12.600 -12.228 1.00 0.00 H new ATOM 0 HB3 ASP D 36 10.168 -13.912 -13.119 1.00 0.00 H new ATOM 3190 N ASN D 37 10.460 -10.290 -14.247 1.00 0.00 N ATOM 3191 CA ASN D 37 9.934 -9.625 -15.442 1.00 0.00 C ATOM 3192 C ASN D 37 10.941 -8.651 -16.057 1.00 0.00 C ATOM 3193 O ASN D 37 10.810 -8.278 -17.223 1.00 0.00 O ATOM 3194 CB ASN D 37 8.620 -8.905 -15.129 1.00 0.00 C ATOM 3195 CG ASN D 37 8.815 -7.659 -14.290 1.00 0.00 C ATOM 3196 OD1 ASN D 37 9.510 -6.727 -14.695 1.00 0.00 O ATOM 3197 ND2 ASN D 37 8.199 -7.638 -13.115 1.00 0.00 N ATOM 0 H ASN D 37 10.476 -9.708 -13.410 1.00 0.00 H new ATOM 0 HA ASN D 37 9.745 -10.405 -16.180 1.00 0.00 H new ATOM 0 HB2 ASN D 37 8.129 -8.634 -16.063 1.00 0.00 H new ATOM 0 HB3 ASN D 37 7.953 -9.589 -14.605 1.00 0.00 H new ATOM 0 HD21 ASN D 37 8.291 -6.826 -12.505 1.00 0.00 H new ATOM 0 HD22 ASN D 37 7.633 -8.434 -12.822 1.00 0.00 H new ATOM 3204 N GLY D 38 11.950 -8.249 -15.287 1.00 0.00 N ATOM 3205 CA GLY D 38 12.954 -7.336 -15.813 1.00 0.00 C ATOM 3206 C GLY D 38 13.177 -6.107 -14.945 1.00 0.00 C ATOM 3207 O GLY D 38 13.742 -5.115 -15.407 1.00 0.00 O ATOM 0 H GLY D 38 12.091 -8.535 -14.318 1.00 0.00 H new ATOM 0 HA2 GLY D 38 13.898 -7.870 -15.920 1.00 0.00 H new ATOM 0 HA3 GLY D 38 12.654 -7.016 -16.811 1.00 0.00 H new ATOM 3211 N VAL D 39 12.742 -6.165 -13.690 1.00 0.00 N ATOM 3212 CA VAL D 39 12.912 -5.040 -12.773 1.00 0.00 C ATOM 3213 C VAL D 39 14.249 -5.132 -12.045 1.00 0.00 C ATOM 3214 O VAL D 39 14.704 -6.223 -11.704 1.00 0.00 O ATOM 3215 CB VAL D 39 11.775 -4.979 -11.733 1.00 0.00 C ATOM 3216 CG1 VAL D 39 11.879 -3.714 -10.893 1.00 0.00 C ATOM 3217 CG2 VAL D 39 10.422 -5.060 -12.421 1.00 0.00 C ATOM 0 H VAL D 39 12.271 -6.974 -13.285 1.00 0.00 H new ATOM 0 HA VAL D 39 12.886 -4.132 -13.375 1.00 0.00 H new ATOM 0 HB VAL D 39 11.873 -5.835 -11.066 1.00 0.00 H new ATOM 0 HG11 VAL D 39 11.067 -3.692 -10.166 1.00 0.00 H new ATOM 0 HG12 VAL D 39 12.835 -3.702 -10.369 1.00 0.00 H new ATOM 0 HG13 VAL D 39 11.810 -2.840 -11.541 1.00 0.00 H new ATOM 0 HG21 VAL D 39 9.630 -5.016 -11.673 1.00 0.00 H new ATOM 0 HG22 VAL D 39 10.315 -4.224 -13.113 1.00 0.00 H new ATOM 0 HG23 VAL D 39 10.349 -5.998 -12.971 1.00 0.00 H new ATOM 3227 N ASP D 40 14.880 -3.983 -11.813 1.00 0.00 N ATOM 3228 CA ASP D 40 16.168 -3.948 -11.128 1.00 0.00 C ATOM 3229 C ASP D 40 16.371 -2.619 -10.408 1.00 0.00 C ATOM 3230 O ASP D 40 15.525 -1.727 -10.476 1.00 0.00 O ATOM 3231 CB ASP D 40 17.304 -4.177 -12.127 1.00 0.00 C ATOM 3232 CG ASP D 40 17.455 -5.636 -12.509 1.00 0.00 C ATOM 3233 OD1 ASP D 40 18.023 -6.404 -11.703 1.00 0.00 O ATOM 3234 OD2 ASP D 40 17.009 -6.010 -13.613 1.00 0.00 O ATOM 0 H ASP D 40 14.522 -3.068 -12.088 1.00 0.00 H new ATOM 0 HA ASP D 40 16.176 -4.745 -10.385 1.00 0.00 H new ATOM 0 HB2 ASP D 40 17.119 -3.587 -13.025 1.00 0.00 H new ATOM 0 HB3 ASP D 40 18.239 -3.818 -11.697 1.00 0.00 H new ATOM 3239 N GLY D 41 17.502 -2.496 -9.720 1.00 0.00 N ATOM 3240 CA GLY D 41 17.802 -1.275 -8.993 1.00 0.00 C ATOM 3241 C GLY D 41 17.983 -1.518 -7.508 1.00 0.00 C ATOM 3242 O GLY D 41 18.503 -2.557 -7.101 1.00 0.00 O ATOM 0 H GLY D 41 18.217 -3.221 -9.653 1.00 0.00 H new ATOM 0 HA2 GLY D 41 18.709 -0.827 -9.399 1.00 0.00 H new ATOM 0 HA3 GLY D 41 16.996 -0.557 -9.146 1.00 0.00 H new ATOM 3246 N GLU D 42 17.551 -0.560 -6.695 1.00 0.00 N ATOM 3247 CA GLU D 42 17.667 -0.678 -5.247 1.00 0.00 C ATOM 3248 C GLU D 42 16.541 0.075 -4.546 1.00 0.00 C ATOM 3249 O GLU D 42 15.948 0.992 -5.113 1.00 0.00 O ATOM 3250 CB GLU D 42 19.025 -0.150 -4.776 1.00 0.00 C ATOM 3251 CG GLU D 42 20.201 -0.971 -5.280 1.00 0.00 C ATOM 3252 CD GLU D 42 21.434 -0.816 -4.411 1.00 0.00 C ATOM 3253 OE1 GLU D 42 21.322 -1.007 -3.182 1.00 0.00 O ATOM 3254 OE2 GLU D 42 22.511 -0.503 -4.961 1.00 0.00 O ATOM 0 H GLU D 42 17.118 0.306 -7.014 1.00 0.00 H new ATOM 0 HA GLU D 42 17.588 -1.734 -4.987 1.00 0.00 H new ATOM 0 HB2 GLU D 42 19.141 0.881 -5.111 1.00 0.00 H new ATOM 0 HB3 GLU D 42 19.042 -0.135 -3.686 1.00 0.00 H new ATOM 0 HG2 GLU D 42 19.916 -2.023 -5.317 1.00 0.00 H new ATOM 0 HG3 GLU D 42 20.439 -0.670 -6.300 1.00 0.00 H new ATOM 3261 N TRP D 43 16.253 -0.318 -3.310 1.00 0.00 N ATOM 3262 CA TRP D 43 15.198 0.320 -2.532 1.00 0.00 C ATOM 3263 C TRP D 43 15.628 1.697 -2.052 1.00 0.00 C ATOM 3264 O TRP D 43 16.632 1.842 -1.356 1.00 0.00 O ATOM 3265 CB TRP D 43 14.810 -0.555 -1.340 1.00 0.00 C ATOM 3266 CG TRP D 43 13.945 -1.715 -1.722 1.00 0.00 C ATOM 3267 CD1 TRP D 43 14.326 -3.021 -1.828 1.00 0.00 C ATOM 3268 CD2 TRP D 43 12.552 -1.674 -2.054 1.00 0.00 C ATOM 3269 NE1 TRP D 43 13.256 -3.796 -2.205 1.00 0.00 N ATOM 3270 CE2 TRP D 43 12.155 -2.993 -2.350 1.00 0.00 C ATOM 3271 CE3 TRP D 43 11.602 -0.652 -2.130 1.00 0.00 C ATOM 3272 CZ2 TRP D 43 10.850 -3.314 -2.715 1.00 0.00 C ATOM 3273 CZ3 TRP D 43 10.307 -0.972 -2.492 1.00 0.00 C ATOM 3274 CH2 TRP D 43 9.941 -2.292 -2.780 1.00 0.00 C ATOM 0 H TRP D 43 16.735 -1.075 -2.826 1.00 0.00 H new ATOM 0 HA TRP D 43 14.330 0.440 -3.180 1.00 0.00 H new ATOM 0 HB2 TRP D 43 15.715 -0.927 -0.860 1.00 0.00 H new ATOM 0 HB3 TRP D 43 14.286 0.055 -0.604 1.00 0.00 H new ATOM 0 HD1 TRP D 43 15.323 -3.391 -1.643 1.00 0.00 H new ATOM 0 HE1 TRP D 43 13.278 -4.805 -2.353 1.00 0.00 H new ATOM 0 HE3 TRP D 43 11.875 0.370 -1.910 1.00 0.00 H new ATOM 0 HZ2 TRP D 43 10.565 -4.332 -2.939 1.00 0.00 H new ATOM 0 HZ3 TRP D 43 9.565 -0.190 -2.554 1.00 0.00 H new ATOM 0 HH2 TRP D 43 8.921 -2.509 -3.059 1.00 0.00 H new ATOM 3285 N THR D 44 14.854 2.705 -2.431 1.00 0.00 N ATOM 3286 CA THR D 44 15.144 4.075 -2.043 1.00 0.00 C ATOM 3287 C THR D 44 14.052 4.618 -1.131 1.00 0.00 C ATOM 3288 O THR D 44 12.863 4.407 -1.368 1.00 0.00 O ATOM 3289 CB THR D 44 15.285 4.961 -3.281 1.00 0.00 C ATOM 3290 OG1 THR D 44 14.068 5.013 -4.003 1.00 0.00 O ATOM 3291 CG2 THR D 44 16.363 4.489 -4.233 1.00 0.00 C ATOM 0 H THR D 44 14.020 2.597 -3.008 1.00 0.00 H new ATOM 0 HA THR D 44 16.087 4.083 -1.496 1.00 0.00 H new ATOM 0 HB THR D 44 15.561 5.945 -2.902 1.00 0.00 H new ATOM 0 HG1 THR D 44 13.415 4.412 -3.587 1.00 0.00 H new ATOM 0 HG21 THR D 44 16.411 5.161 -5.090 1.00 0.00 H new ATOM 0 HG22 THR D 44 17.325 4.485 -3.720 1.00 0.00 H new ATOM 0 HG23 THR D 44 16.130 3.481 -4.575 1.00 0.00 H new ATOM 3299 N TYR D 45 14.470 5.333 -0.100 1.00 0.00 N ATOM 3300 CA TYR D 45 13.537 5.933 0.846 1.00 0.00 C ATOM 3301 C TYR D 45 12.802 7.105 0.209 1.00 0.00 C ATOM 3302 O TYR D 45 13.375 7.850 -0.587 1.00 0.00 O ATOM 3303 CB TYR D 45 14.264 6.385 2.113 1.00 0.00 C ATOM 3304 CG TYR D 45 14.520 5.264 3.094 1.00 0.00 C ATOM 3305 CD1 TYR D 45 13.562 4.917 4.038 1.00 0.00 C ATOM 3306 CD2 TYR D 45 15.713 4.551 3.077 1.00 0.00 C ATOM 3307 CE1 TYR D 45 13.785 3.894 4.938 1.00 0.00 C ATOM 3308 CE2 TYR D 45 15.942 3.524 3.974 1.00 0.00 C ATOM 3309 CZ TYR D 45 14.975 3.200 4.902 1.00 0.00 C ATOM 3310 OH TYR D 45 15.200 2.179 5.797 1.00 0.00 O ATOM 0 H TYR D 45 15.452 5.514 0.106 1.00 0.00 H new ATOM 0 HA TYR D 45 12.804 5.176 1.122 1.00 0.00 H new ATOM 0 HB2 TYR D 45 15.216 6.838 1.834 1.00 0.00 H new ATOM 0 HB3 TYR D 45 13.674 7.159 2.604 1.00 0.00 H new ATOM 0 HD1 TYR D 45 12.627 5.457 4.069 1.00 0.00 H new ATOM 0 HD2 TYR D 45 16.473 4.803 2.352 1.00 0.00 H new ATOM 0 HE1 TYR D 45 13.030 3.639 5.667 1.00 0.00 H new ATOM 0 HE2 TYR D 45 16.874 2.978 3.948 1.00 0.00 H new ATOM 0 HH TYR D 45 16.086 1.793 5.636 1.00 0.00 H new ATOM 3320 N ASP D 46 11.529 7.261 0.556 1.00 0.00 N ATOM 3321 CA ASP D 46 10.719 8.342 0.011 1.00 0.00 C ATOM 3322 C ASP D 46 11.152 9.686 0.588 1.00 0.00 C ATOM 3323 O ASP D 46 11.738 9.747 1.668 1.00 0.00 O ATOM 3324 CB ASP D 46 9.239 8.107 0.321 1.00 0.00 C ATOM 3325 CG ASP D 46 8.684 6.886 -0.384 1.00 0.00 C ATOM 3326 OD1 ASP D 46 9.368 5.842 -0.388 1.00 0.00 O ATOM 3327 OD2 ASP D 46 7.564 6.975 -0.929 1.00 0.00 O ATOM 0 H ASP D 46 11.037 6.653 1.211 1.00 0.00 H new ATOM 0 HA ASP D 46 10.863 8.359 -1.069 1.00 0.00 H new ATOM 0 HB2 ASP D 46 9.111 7.990 1.397 1.00 0.00 H new ATOM 0 HB3 ASP D 46 8.665 8.985 0.025 1.00 0.00 H new ATOM 3332 N ASP D 47 10.858 10.760 -0.137 1.00 0.00 N ATOM 3333 CA ASP D 47 11.217 12.101 0.310 1.00 0.00 C ATOM 3334 C ASP D 47 10.400 12.499 1.537 1.00 0.00 C ATOM 3335 O ASP D 47 9.214 12.182 1.634 1.00 0.00 O ATOM 3336 CB ASP D 47 11.006 13.112 -0.818 1.00 0.00 C ATOM 3337 CG ASP D 47 12.278 13.378 -1.599 1.00 0.00 C ATOM 3338 OD1 ASP D 47 13.112 14.177 -1.123 1.00 0.00 O ATOM 3339 OD2 ASP D 47 12.442 12.788 -2.689 1.00 0.00 O ATOM 0 H ASP D 47 10.374 10.729 -1.034 1.00 0.00 H new ATOM 0 HA ASP D 47 12.272 12.098 0.586 1.00 0.00 H new ATOM 0 HB2 ASP D 47 10.237 12.741 -1.496 1.00 0.00 H new ATOM 0 HB3 ASP D 47 10.637 14.048 -0.399 1.00 0.00 H new ATOM 3344 N ALA D 48 11.044 13.191 2.472 1.00 0.00 N ATOM 3345 CA ALA D 48 10.384 13.627 3.700 1.00 0.00 C ATOM 3346 C ALA D 48 9.147 14.472 3.403 1.00 0.00 C ATOM 3347 O ALA D 48 9.159 15.320 2.511 1.00 0.00 O ATOM 3348 CB ALA D 48 11.358 14.404 4.571 1.00 0.00 C ATOM 0 H ALA D 48 12.025 13.463 2.403 1.00 0.00 H new ATOM 0 HA ALA D 48 10.056 12.737 4.237 1.00 0.00 H new ATOM 0 HB1 ALA D 48 10.855 14.724 5.483 1.00 0.00 H new ATOM 0 HB2 ALA D 48 12.205 13.767 4.828 1.00 0.00 H new ATOM 0 HB3 ALA D 48 11.714 15.279 4.027 1.00 0.00 H new ATOM 3354 N THR D 49 8.078 14.231 4.162 1.00 0.00 N ATOM 3355 CA THR D 49 6.828 14.965 3.988 1.00 0.00 C ATOM 3356 C THR D 49 6.346 15.543 5.315 1.00 0.00 C ATOM 3357 O THR D 49 6.700 15.046 6.385 1.00 0.00 O ATOM 3358 CB THR D 49 5.752 14.057 3.393 1.00 0.00 C ATOM 3359 OG1 THR D 49 6.199 13.480 2.179 1.00 0.00 O ATOM 3360 CG2 THR D 49 4.453 14.779 3.107 1.00 0.00 C ATOM 0 H THR D 49 8.054 13.532 4.904 1.00 0.00 H new ATOM 0 HA THR D 49 7.016 15.789 3.300 1.00 0.00 H new ATOM 0 HB THR D 49 5.567 13.293 4.148 1.00 0.00 H new ATOM 0 HG1 THR D 49 5.449 13.033 1.734 1.00 0.00 H new ATOM 0 HG21 THR D 49 3.732 14.078 2.686 1.00 0.00 H new ATOM 0 HG22 THR D 49 4.057 15.195 4.033 1.00 0.00 H new ATOM 0 HG23 THR D 49 4.634 15.585 2.395 1.00 0.00 H new ATOM 3368 N LYS D 50 5.534 16.594 5.240 1.00 0.00 N ATOM 3369 CA LYS D 50 5.005 17.237 6.438 1.00 0.00 C ATOM 3370 C LYS D 50 3.486 17.104 6.498 1.00 0.00 C ATOM 3371 O LYS D 50 2.796 17.269 5.492 1.00 0.00 O ATOM 3372 CB LYS D 50 5.404 18.715 6.469 1.00 0.00 C ATOM 3373 CG LYS D 50 5.627 19.255 7.873 1.00 0.00 C ATOM 3374 CD LYS D 50 6.870 20.129 7.948 1.00 0.00 C ATOM 3375 CE LYS D 50 8.119 19.301 8.204 1.00 0.00 C ATOM 3376 NZ LYS D 50 9.238 20.131 8.733 1.00 0.00 N ATOM 0 H LYS D 50 5.229 17.017 4.364 1.00 0.00 H new ATOM 0 HA LYS D 50 5.430 16.737 7.308 1.00 0.00 H new ATOM 0 HB2 LYS D 50 6.316 18.849 5.888 1.00 0.00 H new ATOM 0 HB3 LYS D 50 4.626 19.303 5.982 1.00 0.00 H new ATOM 0 HG2 LYS D 50 4.756 19.833 8.183 1.00 0.00 H new ATOM 0 HG3 LYS D 50 5.724 18.424 8.572 1.00 0.00 H new ATOM 0 HD2 LYS D 50 6.984 20.682 7.016 1.00 0.00 H new ATOM 0 HD3 LYS D 50 6.751 20.865 8.743 1.00 0.00 H new ATOM 0 HE2 LYS D 50 7.889 18.507 8.914 1.00 0.00 H new ATOM 0 HE3 LYS D 50 8.431 18.819 7.277 1.00 0.00 H new ATOM 0 HZ1 LYS D 50 9.932 19.517 9.205 1.00 0.00 H new ATOM 0 HZ2 LYS D 50 9.698 20.634 7.948 1.00 0.00 H new ATOM 0 HZ3 LYS D 50 8.865 20.821 9.416 1.00 0.00 H new ATOM 3390 N THR D 51 2.974 16.801 7.686 1.00 0.00 N ATOM 3391 CA THR D 51 1.538 16.637 7.887 1.00 0.00 C ATOM 3392 C THR D 51 1.102 17.330 9.177 1.00 0.00 C ATOM 3393 O THR D 51 1.661 17.085 10.246 1.00 0.00 O ATOM 3394 CB THR D 51 1.183 15.146 7.915 1.00 0.00 C ATOM 3395 OG1 THR D 51 1.388 14.565 6.639 1.00 0.00 O ATOM 3396 CG2 THR D 51 -0.252 14.866 8.313 1.00 0.00 C ATOM 0 H THR D 51 3.534 16.663 8.527 1.00 0.00 H new ATOM 0 HA THR D 51 1.004 17.102 7.058 1.00 0.00 H new ATOM 0 HB THR D 51 1.839 14.712 8.669 1.00 0.00 H new ATOM 0 HG1 THR D 51 2.203 14.933 6.239 1.00 0.00 H new ATOM 0 HG21 THR D 51 -0.427 13.790 8.310 1.00 0.00 H new ATOM 0 HG22 THR D 51 -0.436 15.261 9.312 1.00 0.00 H new ATOM 0 HG23 THR D 51 -0.927 15.345 7.604 1.00 0.00 H new ATOM 3404 N PHE D 52 0.104 18.204 9.066 1.00 0.00 N ATOM 3405 CA PHE D 52 -0.407 18.945 10.216 1.00 0.00 C ATOM 3406 C PHE D 52 -1.372 18.103 11.045 1.00 0.00 C ATOM 3407 O PHE D 52 -2.370 17.600 10.531 1.00 0.00 O ATOM 3408 CB PHE D 52 -1.106 20.226 9.754 1.00 0.00 C ATOM 3409 CG PHE D 52 -1.493 21.140 10.882 1.00 0.00 C ATOM 3410 CD1 PHE D 52 -0.551 21.963 11.480 1.00 0.00 C ATOM 3411 CD2 PHE D 52 -2.799 21.177 11.344 1.00 0.00 C ATOM 3412 CE1 PHE D 52 -0.905 22.805 12.517 1.00 0.00 C ATOM 3413 CE2 PHE D 52 -3.158 22.016 12.381 1.00 0.00 C ATOM 3414 CZ PHE D 52 -2.210 22.832 12.968 1.00 0.00 C ATOM 0 H PHE D 52 -0.368 18.417 8.187 1.00 0.00 H new ATOM 0 HA PHE D 52 0.445 19.201 10.845 1.00 0.00 H new ATOM 0 HB2 PHE D 52 -0.448 20.763 9.072 1.00 0.00 H new ATOM 0 HB3 PHE D 52 -2.000 19.959 9.190 1.00 0.00 H new ATOM 0 HD1 PHE D 52 0.471 21.946 11.131 1.00 0.00 H new ATOM 0 HD2 PHE D 52 -3.545 20.543 10.888 1.00 0.00 H new ATOM 0 HE1 PHE D 52 -0.162 23.441 12.974 1.00 0.00 H new ATOM 0 HE2 PHE D 52 -4.179 22.034 12.733 1.00 0.00 H new ATOM 0 HZ PHE D 52 -2.489 23.490 13.778 1.00 0.00 H new ATOM 3424 N THR D 53 -1.078 17.968 12.334 1.00 0.00 N ATOM 3425 CA THR D 53 -1.932 17.205 13.235 1.00 0.00 C ATOM 3426 C THR D 53 -2.845 18.142 14.021 1.00 0.00 C ATOM 3427 O THR D 53 -2.372 19.043 14.714 1.00 0.00 O ATOM 3428 CB THR D 53 -1.084 16.366 14.195 1.00 0.00 C ATOM 3429 OG1 THR D 53 -0.244 15.480 13.477 1.00 0.00 O ATOM 3430 CG2 THR D 53 -1.909 15.537 15.157 1.00 0.00 C ATOM 0 H THR D 53 -0.255 18.377 12.777 1.00 0.00 H new ATOM 0 HA THR D 53 -2.549 16.533 12.638 1.00 0.00 H new ATOM 0 HB THR D 53 -0.502 17.086 14.770 1.00 0.00 H new ATOM 0 HG1 THR D 53 0.309 15.990 12.849 1.00 0.00 H new ATOM 0 HG21 THR D 53 -1.246 14.967 15.808 1.00 0.00 H new ATOM 0 HG22 THR D 53 -2.533 16.195 15.761 1.00 0.00 H new ATOM 0 HG23 THR D 53 -2.543 14.851 14.595 1.00 0.00 H new ATOM 3438 N VAL D 54 -4.154 17.934 13.902 1.00 0.00 N ATOM 3439 CA VAL D 54 -5.122 18.775 14.600 1.00 0.00 C ATOM 3440 C VAL D 54 -5.105 18.506 16.099 1.00 0.00 C ATOM 3441 O VAL D 54 -4.714 17.427 16.544 1.00 0.00 O ATOM 3442 CB VAL D 54 -6.555 18.557 14.075 1.00 0.00 C ATOM 3443 CG1 VAL D 54 -7.465 19.686 14.531 1.00 0.00 C ATOM 3444 CG2 VAL D 54 -6.567 18.435 12.558 1.00 0.00 C ATOM 0 H VAL D 54 -4.567 17.195 13.333 1.00 0.00 H new ATOM 0 HA VAL D 54 -4.827 19.807 14.409 1.00 0.00 H new ATOM 0 HB VAL D 54 -6.931 17.622 14.489 1.00 0.00 H new ATOM 0 HG11 VAL D 54 -8.473 19.517 14.152 1.00 0.00 H new ATOM 0 HG12 VAL D 54 -7.488 19.718 15.620 1.00 0.00 H new ATOM 0 HG13 VAL D 54 -7.088 20.634 14.148 1.00 0.00 H new ATOM 0 HG21 VAL D 54 -7.590 18.282 12.213 1.00 0.00 H new ATOM 0 HG22 VAL D 54 -6.168 19.348 12.116 1.00 0.00 H new ATOM 0 HG23 VAL D 54 -5.952 17.587 12.256 1.00 0.00 H new ATOM 3454 N THR D 55 -5.534 19.497 16.875 1.00 0.00 N ATOM 3455 CA THR D 55 -5.570 19.371 18.326 1.00 0.00 C ATOM 3456 C THR D 55 -6.684 20.226 18.921 1.00 0.00 C ATOM 3457 O THR D 55 -7.689 19.707 19.406 1.00 0.00 O ATOM 3458 CB THR D 55 -4.221 19.775 18.924 1.00 0.00 C ATOM 3459 OG1 THR D 55 -3.175 18.995 18.372 1.00 0.00 O ATOM 3460 CG2 THR D 55 -4.163 19.622 20.428 1.00 0.00 C ATOM 0 H THR D 55 -5.861 20.396 16.522 1.00 0.00 H new ATOM 0 HA THR D 55 -5.771 18.328 18.572 1.00 0.00 H new ATOM 0 HB THR D 55 -4.100 20.830 18.678 1.00 0.00 H new ATOM 0 HG1 THR D 55 -2.320 19.269 18.765 1.00 0.00 H new ATOM 0 HG21 THR D 55 -3.180 19.925 20.787 1.00 0.00 H new ATOM 0 HG22 THR D 55 -4.926 20.250 20.887 1.00 0.00 H new ATOM 0 HG23 THR D 55 -4.341 18.580 20.695 1.00 0.00 H new ATOM 3468 N GLU D 56 -6.496 21.538 18.876 1.00 0.00 N ATOM 3469 CA GLU D 56 -7.482 22.474 19.408 1.00 0.00 C ATOM 3470 C GLU D 56 -7.719 22.231 20.895 1.00 0.00 C ATOM 3471 O GLU D 56 -6.955 21.446 21.494 1.00 0.00 O ATOM 3472 CB GLU D 56 -8.801 22.349 18.643 1.00 0.00 C ATOM 3473 CG GLU D 56 -8.629 22.342 17.132 1.00 0.00 C ATOM 3474 CD GLU D 56 -9.845 21.792 16.411 1.00 0.00 C ATOM 3475 OE1 GLU D 56 -10.031 20.557 16.418 1.00 0.00 O ATOM 3476 OE2 GLU D 56 -10.608 22.596 15.838 1.00 0.00 O ATOM 3477 OXT GLU D 56 -8.666 22.830 21.448 1.00 0.00 O ATOM 0 H GLU D 56 -5.669 21.981 18.476 1.00 0.00 H new ATOM 0 HA GLU D 56 -7.091 23.483 19.282 1.00 0.00 H new ATOM 0 HB2 GLU D 56 -9.303 21.430 18.948 1.00 0.00 H new ATOM 0 HB3 GLU D 56 -9.453 23.176 18.922 1.00 0.00 H new ATOM 0 HG2 GLU D 56 -8.435 23.358 16.787 1.00 0.00 H new ATOM 0 HG3 GLU D 56 -7.755 21.744 16.872 1.00 0.00 H new