data_5nir-assembly-1_atom_site # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num _atom_site.pdbe_label_seq_id _atom_site.orig_label_asym_id _atom_site.orig_auth_asym_id ATOM 1 N N . GLU A 1 6 ? -5.145 2.972 7.173 1.0 55.24 ? 30 GLU A N 1 6 . A ATOM 2 C CA . GLU A 1 6 ? -6.468 3.586 7.067 1.0 55.0 ? 30 GLU A CA 1 6 . A ATOM 3 C C . GLU A 1 6 ? -6.373 5.118 6.942 1.0 57.5 ? 30 GLU A C 1 6 . A ATOM 4 O O . GLU A 1 6 ? -5.309 5.698 7.193 1.0 56.75 ? 30 GLU A O 1 6 . A ATOM 5 C CB . GLU A 1 6 ? -7.359 3.187 8.261 1.0 56.54 ? 30 GLU A CB 1 6 . A ATOM 6 N N . ALA A 1 7 ? -7.483 5.763 6.522 1.0 52.06 ? 31 ALA A N 1 7 . A ATOM 7 C CA . ALA A 1 7 ? -7.582 7.214 6.358 1.0 50.63 ? 31 ALA A CA 1 7 . A ATOM 8 C C . ALA A 1 7 ? -7.326 7.951 7.686 1.0 49.46 ? 31 ALA A C 1 7 . A ATOM 9 O O . ALA A 1 7 ? -8.005 7.695 8.685 1.0 47.78 ? 31 ALA A O 1 7 . A ATOM 10 C CB . ALA A 1 7 ? -8.950 7.586 5.806 1.0 51.22 ? 31 ALA A CB 1 7 . A ATOM 11 N N . GLY A 1 8 ? -6.323 8.822 7.676 1.0 44.64 ? 32 GLY A N 1 8 . A ATOM 12 C CA . GLY A 1 8 ? -5.950 9.633 8.835 1.0 43.83 ? 32 GLY A CA 1 8 . A ATOM 13 C C . GLY A 1 8 ? -5.054 8.936 9.848 1.0 45.18 ? 32 GLY A C 1 8 . A ATOM 14 O O . GLY A 1 8 ? -4.787 9.491 10.920 1.0 44.64 ? 32 GLY A O 1 8 . A ATOM 15 N N . SER A 1 9 ? -4.548 7.733 9.503 1.0 38.94 ? 33 SER A N 1 9 . A ATOM 16 C CA . SER A 1 9 ? -3.678 6.972 10.401 1.0 36.87 ? 33 SER A CA 1 9 . A ATOM 17 C C . SER A 1 9 ? -2.279 7.584 10.450 1.0 38.4 ? 33 SER A C 1 9 . A ATOM 18 O O . SER A 1 9 ? -1.873 8.299 9.520 1.0 38.06 ? 33 SER A O 1 9 . A ATOM 19 C CB . SER A 1 9 ? -3.641 5.500 9.987 1.0 38.4 ? 33 SER A CB 1 9 . A ATOM 20 O OG . SER A 1 9 ? -2.940 5.312 8.773 1.0 45.56 ? 33 SER A OG 1 9 . A ATOM 21 N N . CYS A 1 10 ? -1.567 7.359 11.566 1.0 32.28 ? 34 CYS A N 1 10 . A ATOM 22 C CA . CYS A 1 10 ? -0.224 7.877 11.821 1.0 31.5 ? 34 CYS A CA 1 10 . A ATOM 23 C C . CYS A 1 10 ? 0.785 6.770 11.822 1.0 37.2 ? 34 CYS A C 1 10 . A ATOM 24 O O . CYS A 1 10 ? 0.433 5.645 12.166 1.0 35.2 ? 34 CYS A O 1 10 . A ATOM 25 C CB . CYS A 1 10 ? -0.185 8.612 13.159 1.0 31.7 ? 34 CYS A CB 1 10 . A ATOM 26 S SG . CYS A 1 10 ? -1.423 9.916 13.337 1.0 34.21 ? 34 CYS A SG 1 10 . A ATOM 27 N N . VAL A 1 11 ? 2.057 7.110 11.569 1.0 36.18 ? 35 VAL A N 1 11 . A ATOM 28 C CA . VAL A 1 11 ? 3.186 6.188 11.615 1.0 38.68 ? 35 VAL A CA 1 11 . A ATOM 29 C C . VAL A 1 11 ? 4.224 6.775 12.565 1.0 47.39 ? 35 VAL A C 1 11 . A ATOM 30 O O . VAL A 1 11 ? 4.615 7.933 12.403 1.0 49.39 ? 35 VAL A O 1 11 . A ATOM 31 C CB . VAL A 1 11 ? 3.795 5.872 10.215 1.0 43.66 ? 35 VAL A CB 1 11 . A ATOM 32 C CG1 . VAL A 1 11 ? 5.058 5.023 10.342 1.0 43.82 ? 35 VAL A CG1 1 11 . A ATOM 33 C CG2 . VAL A 1 11 ? 2.782 5.187 9.303 1.0 43.48 ? 35 VAL A CG2 1 11 . A ATOM 34 N N . GLN A 1 12 ? 4.658 5.996 13.559 1.0 44.59 ? 36 GLN A N 1 12 . A ATOM 35 C CA . GLN A 1 12 ? 5.685 6.420 14.513 1.0 45.03 ? 36 GLN A CA 1 12 . A ATOM 36 C C . GLN A 1 12 ? 6.473 5.200 14.975 1.0 48.92 ? 36 GLN A C 1 12 . A ATOM 37 O O . GLN A 1 12 ? 5.876 4.217 15.430 1.0 47.36 ? 36 GLN A O 1 12 . A ATOM 38 C CB . GLN A 1 12 ? 5.068 7.181 15.714 1.0 47.18 ? 36 GLN A CB 1 12 . A ATOM 39 C CG . GLN A 1 12 ? 6.049 8.084 16.487 1.0 67.02 ? 36 GLN A CG 1 12 . A ATOM 40 C CD . GLN A 1 12 ? 6.720 9.158 15.651 1.0 91.53 ? 36 GLN A CD 1 12 . A ATOM 41 O OE1 . GLN A 1 12 ? 6.073 9.933 14.930 1.0 87.17 ? 36 GLN A OE1 1 12 . A ATOM 42 N NE2 . GLN A 1 12 ? 8.043 9.239 15.750 1.0 84.7 ? 36 GLN A NE2 1 12 . A ATOM 43 N N . ASP A 1 13 ? 7.822 5.262 14.825 1.0 45.4 ? 37 ASP A N 1 13 . A ATOM 44 C CA . ASP A 1 13 ? 8.767 4.207 15.200 1.0 45.16 ? 37 ASP A CA 1 13 . A ATOM 45 C C . ASP A 1 13 ? 8.369 2.826 14.641 1.0 45.97 ? 37 ASP A C 1 13 . A ATOM 46 O O . ASP A 1 13 ? 8.359 1.838 15.369 1.0 45.79 ? 37 ASP A O 1 13 . A ATOM 47 C CB . ASP A 1 13 ? 8.975 4.177 16.728 1.0 47.1 ? 37 ASP A CB 1 13 . A ATOM 48 N N . GLY A 1 14 ? 8.040 2.792 13.353 1.0 41.68 ? 38 GLY A N 1 14 . A ATOM 49 C CA . GLY A 1 14 ? 7.649 1.576 12.649 1.0 40.21 ? 38 GLY A CA 1 14 . A ATOM 50 C C . GLY A 1 14 ? 6.245 1.065 12.932 1.0 40.77 ? 38 GLY A C 1 14 . A ATOM 51 O O . GLY A 1 14 ? 5.878 0.016 12.408 1.0 41.46 ? 38 GLY A O 1 14 . A ATOM 52 N N . GLN A 1 15 ? 5.448 1.767 13.770 1.0 31.58 ? 39 GLN A N 1 15 . A ATOM 53 C CA . GLN A 1 15 ? 4.070 1.325 14.073 1.0 29.12 ? 39 GLN A CA 1 15 . A ATOM 54 C C . GLN A 1 15 ? 3.053 2.219 13.393 1.0 32.24 ? 39 GLN A C 1 15 . A ATOM 55 O O . GLN A 1 15 ? 3.338 3.401 13.184 1.0 33.72 ? 39 GLN A O 1 15 . A ATOM 56 C CB . GLN A 1 15 ? 3.810 1.310 15.587 1.0 30.02 ? 39 GLN A CB 1 15 . A ATOM 57 C CG . GLN A 1 15 ? 4.692 0.360 16.364 1.0 41.46 ? 39 GLN A CG 1 15 . A ATOM 58 C CD . GLN A 1 15 ? 4.199 0.172 17.776 1.0 56.91 ? 39 GLN A CD 1 15 . A ATOM 59 O OE1 . GLN A 1 15 ? 3.002 0.260 18.079 1.0 51.17 ? 39 GLN A OE1 1 15 . A ATOM 60 N NE2 . GLN A 1 15 ? 5.122 -0.079 18.677 1.0 55.22 ? 39 GLN A NE2 1 15 . A ATOM 61 N N . ARG A 1 16 ? 1.855 1.693 13.092 1.0 26.24 ? 40 ARG A N 1 16 . A ATOM 62 C CA . ARG A 1 16 ? 0.767 2.481 12.512 1.0 25.42 ? 40 ARG A CA 1 16 . A ATOM 63 C C . ARG A 1 16 ? -0.307 2.591 13.558 1.0 29.31 ? 40 ARG A C 1 16 . A ATOM 64 O O . ARG A 1 16 ? -0.553 1.622 14.267 1.0 27.72 ? 40 ARG A O 1 16 . A ATOM 65 C CB . ARG A 1 16 ? 0.210 1.867 11.223 1.0 28.57 ? 40 ARG A CB 1 16 . A ATOM 66 C CG . ARG A 1 16 ? -0.909 2.695 10.585 1.0 37.86 ? 40 ARG A CG 1 16 . A ATOM 67 C CD . ARG A 1 16 ? -1.305 2.252 9.179 1.0 46.51 ? 40 ARG A CD 1 16 . A ATOM 68 N NE . ARG A 1 16 ? -0.201 2.330 8.226 1.0 66.88 ? 40 ARG A NE 1 16 . A ATOM 69 C CZ . ARG A 1 16 ? 0.173 3.435 7.587 1.0 91.71 ? 40 ARG A CZ 1 16 . A ATOM 70 N NH1 . ARG A 1 16 ? -0.447 4.587 7.816 1.0 83.29 ? 40 ARG A NH1 1 16 . A ATOM 71 N NH2 . ARG A 1 16 ? 1.189 3.405 6.737 1.0 85.53 ? 40 ARG A NH2 1 16 . A ATOM 72 N N . TYR A 1 17 ? -0.867 3.789 13.750 1.0 25.85 ? 41 TYR A N 1 17 . A ATOM 73 C CA . TYR A 1 17 ? -1.891 4.033 14.756 1.0 25.19 ? 41 TYR A CA 1 17 . A ATOM 74 C C . TYR A 1 17 ? -3.081 4.545 14.016 1.0 29.95 ? 41 TYR A C 1 17 . A ATOM 75 O O . TYR A 1 17 ? -2.918 5.459 13.200 1.0 30.68 ? 41 TYR A O 1 17 . A ATOM 76 C CB . TYR A 1 17 ? -1.428 5.099 15.801 1.0 25.48 ? 41 TYR A CB 1 17 . A ATOM 77 C CG . TYR A 1 17 ? -0.161 4.724 16.527 1.0 25.53 ? 41 TYR A CG 1 17 . A ATOM 78 C CD1 . TYR A 1 17 ? 1.087 4.991 15.972 1.0 27.37 ? 41 TYR A CD1 1 17 . A ATOM 79 C CD2 . TYR A 1 17 ? -0.205 4.031 17.733 1.0 26.08 ? 41 TYR A CD2 1 17 . A ATOM 80 C CE1 . TYR A 1 17 ? 2.261 4.620 16.617 1.0 27.49 ? 41 TYR A CE1 1 17 . A ATOM 81 C CE2 . TYR A 1 17 ? 0.972 3.644 18.387 1.0 28.32 ? 41 TYR A CE2 1 17 . A ATOM 82 C CZ . TYR A 1 17 ? 2.198 3.918 17.805 1.0 32.94 ? 41 TYR A CZ 1 17 . A ATOM 83 O OH . TYR A 1 17 ? 3.366 3.564 18.433 1.0 38.69 ? 41 TYR A OH 1 17 . A ATOM 84 N N . ASN A 1 18 ? -4.273 4.014 14.320 1.0 27.0 ? 42 ASN A N 1 18 . A ATOM 85 C CA . ASN A 1 18 ? -5.536 4.467 13.720 1.0 27.66 ? 42 ASN A CA 1 18 . A ATOM 86 C C . ASN A 1 18 ? -5.758 5.927 14.095 1.0 33.64 ? 42 ASN A C 1 18 . A ATOM 87 O O . ASN A 1 18 ? -5.376 6.357 15.200 1.0 30.19 ? 42 ASN A O 1 18 . A ATOM 88 C CB . ASN A 1 18 ? -6.720 3.690 14.297 1.0 30.11 ? 42 ASN A CB 1 18 . A ATOM 89 C CG . ASN A 1 18 ? -7.455 2.828 13.297 1.0 56.65 ? 42 ASN A CG 1 18 . A ATOM 90 O OD1 . ASN A 1 18 ? -6.865 2.264 12.372 1.0 53.57 ? 42 ASN A OD1 1 18 . A ATOM 91 N ND2 . ASN A 1 18 ? -8.754 2.642 13.516 1.0 45.22 ? 42 ASN A ND2 1 18 . A ATOM 92 N N . ASP A 1 19 ? -6.416 6.687 13.204 1.0 31.36 ? 43 ASP A N 1 19 . A ATOM 93 C CA . ASP A 1 19 ? -6.767 8.064 13.542 1.0 31.34 ? 43 ASP A CA 1 19 . A ATOM 94 C C . ASP A 1 19 ? -7.522 8.080 14.850 1.0 32.68 ? 43 ASP A C 1 19 . A ATOM 95 O O . ASP A 1 19 ? -8.380 7.234 15.092 1.0 33.26 ? 43 ASP A O 1 19 . A ATOM 96 C CB . ASP A 1 19 ? -7.634 8.683 12.419 1.0 34.88 ? 43 ASP A CB 1 19 . A ATOM 97 C CG . ASP A 1 19 ? -8.096 10.111 12.678 1.0 48.07 ? 43 ASP A CG 1 19 . A ATOM 98 O OD1 . ASP A 1 19 ? -7.289 10.913 13.229 1.0 45.41 ? 43 ASP A OD1 1 19 . A ATOM 99 O OD2 . ASP A 1 19 ? -9.266 10.427 12.335 1.0 55.94 ? 43 ASP A OD2 1 19 . A ATOM 100 N N . LYS A 1 20 ? -7.155 9.030 15.743 1.0 31.65 ? 44 LYS A N 1 20 . A ATOM 101 C CA . LYS A 1 20 ? -7.744 9.267 17.071 1.0 32.2 ? 44 LYS A CA 1 20 . A ATOM 102 C C . LYS A 1 20 ? -7.220 8.327 18.157 1.0 31.24 ? 44 LYS A C 1 20 . A ATOM 103 O O . LYS A 1 20 ? -7.657 8.427 19.290 1.0 29.86 ? 44 LYS A O 1 20 . A ATOM 104 C CB . LYS A 1 20 ? -9.296 9.306 17.091 1.0 36.73 ? 44 LYS A CB 1 20 . A ATOM 105 C CG . LYS A 1 20 ? -9.978 10.311 16.122 1.0 55.24 ? 44 LYS A CG 1 20 . A ATOM 106 C CD . LYS A 1 20 ? -9.254 11.653 15.886 1.0 71.01 ? 44 LYS A CD 1 20 . A ATOM 107 C CE . LYS A 1 20 ? -9.424 12.677 16.987 1.0 85.64 ? 44 LYS A CE 1 20 . A ATOM 108 N NZ . LYS A 1 20 ? -8.690 13.928 16.669 1.0 94.51 ? 44 LYS A NZ 1 20 . A ATOM 109 N N . ASP A 1 21 ? -6.291 7.416 17.832 1.0 26.49 ? 45 ASP A N 1 21 . A ATOM 110 C CA . ASP A 1 21 ? -5.733 6.550 18.887 1.0 23.31 ? 45 ASP A CA 1 21 . A ATOM 111 C C . ASP A 1 21 ? -5.067 7.466 19.928 1.0 24.55 ? 45 ASP A C 1 21 . A ATOM 112 O O . ASP A 1 21 ? -4.423 8.432 19.530 1.0 24.36 ? 45 ASP A O 1 21 . A ATOM 113 C CB . ASP A 1 21 ? -4.563 5.711 18.318 1.0 23.99 ? 45 ASP A CB 1 21 . A ATOM 114 C CG . ASP A 1 21 ? -4.950 4.331 17.789 1.0 27.61 ? 45 ASP A CG 1 21 . A ATOM 115 O OD1 . ASP A 1 21 ? -6.164 4.030 17.736 1.0 24.1 ? 45 ASP A OD1 1 21 . A ATOM 116 O OD2 . ASP A 1 21 ? -4.041 3.574 17.425 1.0 26.79 ? 45 ASP A OD2 1 21 . A ATOM 117 N N . VAL A 1 22 ? -5.104 7.060 21.179 1.0 23.55 ? 46 VAL A N 1 22 . A ATOM 118 C CA . VAL A 1 22 ? -4.369 7.728 22.270 1.0 23.71 ? 46 VAL A CA 1 22 . A ATOM 119 C C . VAL A 1 22 ? -3.501 6.654 22.911 1.0 23.38 ? 46 VAL A C 1 22 . A ATOM 120 O O . VAL A 1 22 ? -4.001 5.588 23.253 1.0 25.2 ? 46 VAL A O 1 22 . A ATOM 121 C CB . VAL A 1 22 ? -5.305 8.409 23.294 1.0 28.06 ? 46 VAL A CB 1 22 . A ATOM 122 C CG1 . VAL A 1 22 ? -4.492 8.992 24.453 1.0 27.0 ? 46 VAL A CG1 1 22 . A ATOM 123 C CG2 . VAL A 1 22 ? -6.132 9.505 22.622 1.0 28.08 ? 46 VAL A CG2 1 22 . A ATOM 124 N N . TRP A 1 23 ? -2.204 6.928 23.085 1.0 21.85 ? 47 TRP A N 1 23 . A ATOM 125 C CA . TRP A 1 23 ? -1.330 5.912 23.697 1.0 20.26 ? 47 TRP A CA 1 23 . A ATOM 126 C C . TRP A 1 23 ? -0.194 6.569 24.480 1.0 23.17 ? 47 TRP A C 1 23 . A ATOM 127 O O . TRP A 1 23 ? 0.115 7.747 24.243 1.0 23.19 ? 47 TRP A O 1 23 . A ATOM 128 C CB . TRP A 1 23 ? -0.743 4.935 22.616 1.0 18.72 ? 47 TRP A CB 1 23 . A ATOM 129 C CG . TRP A 1 23 ? 0.266 5.515 21.663 1.0 20.52 ? 47 TRP A CG 1 23 . A ATOM 130 C CD1 . TRP A 1 23 ? 1.627 5.375 21.712 1.0 23.14 ? 47 TRP A CD1 1 23 . A ATOM 131 C CD2 . TRP A 1 23 ? -0.012 6.353 20.536 1.0 21.02 ? 47 TRP A CD2 1 23 . A ATOM 132 N NE1 . TRP A 1 23 ? 2.212 6.088 20.692 1.0 23.56 ? 47 TRP A NE1 1 23 . A ATOM 133 C CE2 . TRP A 1 23 ? 1.225 6.706 19.956 1.0 24.8 ? 47 TRP A CE2 1 23 . A ATOM 134 C CE3 . TRP A 1 23 ? -1.202 6.869 19.976 1.0 23.1 ? 47 TRP A CE3 1 23 . A ATOM 135 C CZ2 . TRP A 1 23 ? 1.315 7.506 18.810 1.0 24.91 ? 47 TRP A CZ2 1 23 . A ATOM 136 C CZ3 . TRP A 1 23 ? -1.111 7.653 18.833 1.0 24.76 ? 47 TRP A CZ3 1 23 . A ATOM 137 C CH2 . TRP A 1 23 ? 0.132 7.976 18.272 1.0 26.09 ? 47 TRP A CH2 1 23 . A ATOM 138 N N . LYS A 1 24 ? 0.462 5.781 25.339 1.0 21.7 ? 48 LYS A N 1 24 . A ATOM 139 C CA . LYS A 1 24 ? 1.645 6.251 26.064 1.0 21.64 ? 48 LYS A CA 1 24 . A ATOM 140 C C . LYS A 1 24 ? 2.814 5.385 25.627 1.0 23.64 ? 48 LYS A C 1 24 . A ATOM 141 O O . LYS A 1 24 ? 2.889 4.235 26.082 1.0 23.62 ? 48 LYS A O 1 24 . A ATOM 142 C CB . LYS A 1 24 ? 1.445 6.183 27.571 1.0 22.66 ? 48 LYS A CB 1 24 . A ATOM 143 C CG . LYS A 1 24 ? 0.312 7.132 28.018 1.0 26.66 ? 48 LYS A CG 1 24 . A ATOM 144 C CD . LYS A 1 24 ? 0.037 7.096 29.499 1.0 34.03 ? 48 LYS A CD 1 24 . A ATOM 145 C CE . LYS A 1 24 ? 1.170 7.676 30.297 1.0 41.03 ? 48 LYS A CE 1 24 . A ATOM 146 N NZ . LYS A 1 24 ? 1.199 7.153 31.696 1.0 41.32 ? 48 LYS A NZ 1 24 . A ATOM 147 N N . PRO A 1 25 ? 3.733 5.891 24.778 1.0 22.57 ? 49 PRO A N 1 25 . A ATOM 148 C CA . PRO A 1 25 ? 4.903 5.070 24.408 1.0 22.7 ? 49 PRO A CA 1 25 . A ATOM 149 C C . PRO A 1 25 ? 5.858 4.842 25.588 1.0 27.22 ? 49 PRO A C 1 25 . A ATOM 150 O O . PRO A 1 25 ? 6.635 3.882 25.586 1.0 28.21 ? 49 PRO A O 1 25 . A ATOM 151 C CB . PRO A 1 25 ? 5.536 5.825 23.257 1.0 24.64 ? 49 PRO A CB 1 25 . A ATOM 152 C CG . PRO A 1 25 ? 5.100 7.259 23.438 1.0 29.04 ? 49 PRO A CG 1 25 . A ATOM 153 C CD . PRO A 1 25 ? 3.765 7.221 24.122 1.0 23.34 ? 49 PRO A CD 1 25 . A ATOM 154 N N A GLU A 1 26 ? 5.815 5.743 26.586 0.5 21.86 ? 50 GLU A N 1 26 . A ATOM 155 N N B GLU A 1 26 ? 5.787 5.747 26.581 0.5 22.5 ? 50 GLU A N 1 26 . A ATOM 156 C CA A GLU A 1 26 ? 6.539 5.652 27.859 0.5 20.91 ? 50 GLU A CA 1 26 . A ATOM 157 C CA B GLU A 1 26 ? 6.536 5.753 27.837 0.5 21.84 ? 50 GLU A CA 1 26 . A ATOM 158 C C A GLU A 1 26 ? 5.584 6.186 28.958 0.5 24.12 ? 50 GLU A C 1 26 . A ATOM 159 C C B GLU A 1 26 ? 5.563 6.190 28.957 0.5 24.53 ? 50 GLU A C 1 26 . A ATOM 160 O O A GLU A 1 26 ? 4.647 6.924 28.627 0.5 23.44 ? 50 GLU A O 1 26 . A ATOM 161 O O B GLU A 1 26 ? 4.630 6.943 28.653 0.5 23.78 ? 50 GLU A O 1 26 . A ATOM 162 C CB A GLU A 1 26 ? 7.853 6.463 27.857 0.5 22.07 ? 50 GLU A CB 1 26 . A ATOM 163 C CB B GLU A 1 26 ? 7.663 6.810 27.762 0.5 23.09 ? 50 GLU A CB 1 26 . A ATOM 164 C CG A GLU A 1 26 ? 8.901 5.978 26.862 0.5 26.61 ? 50 GLU A CG 1 26 . A ATOM 165 C CG B GLU A 1 26 ? 8.652 6.621 26.616 0.5 30.93 ? 50 GLU A CG 1 26 . A ATOM 166 C CD A GLU A 1 26 ? 8.779 6.558 25.463 0.5 39.78 ? 50 GLU A CD 1 26 . A ATOM 167 C CD B GLU A 1 26 ? 9.716 5.562 26.830 0.5 43.83 ? 50 GLU A CD 1 26 . A ATOM 168 O OE1 A GLU A 1 26 ? 8.234 7.677 25.320 0.5 31.56 ? 50 GLU A OE1 1 26 . A ATOM 169 O OE1 B GLU A 1 26 ? 9.716 4.914 27.901 0.5 32.12 ? 50 GLU A OE1 1 26 . A ATOM 170 O OE2 A GLU A 1 26 ? 9.256 5.904 24.508 0.5 36.29 ? 50 GLU A OE2 1 26 . A ATOM 171 O OE2 B GLU A 1 26 ? 10.560 5.387 25.923 0.5 34.02 ? 50 GLU A OE2 1 26 . A ATOM 172 N N . PRO A 1 27 ? 5.805 5.855 30.248 1.0 22.61 ? 51 PRO A N 1 27 . A ATOM 173 C CA . PRO A 1 27 ? 4.889 6.344 31.321 1.0 23.56 ? 51 PRO A CA 1 27 . A ATOM 174 C C . PRO A 1 27 ? 4.724 7.871 31.399 1.0 23.08 ? 51 PRO A C 1 27 . A ATOM 175 O O . PRO A 1 27 ? 3.650 8.335 31.784 1.0 22.94 ? 51 PRO A O 1 27 . A ATOM 176 C CB . PRO A 1 27 ? 5.523 5.801 32.614 1.0 26.28 ? 51 PRO A CB 1 27 . A ATOM 177 C CG . PRO A 1 27 ? 6.307 4.577 32.147 1.0 29.08 ? 51 PRO A CG 1 27 . A ATOM 178 C CD . PRO A 1 27 ? 6.845 4.943 30.810 1.0 25.72 ? 51 PRO A CD 1 27 . A ATOM 179 N N . CYS A 1 28 ? 5.753 8.638 30.994 1.0 21.85 ? 52 CYS A N 1 28 . A ATOM 180 C CA . CYS A 1 28 ? 5.749 10.115 31.024 1.0 20.74 ? 52 CYS A CA 1 28 . A ATOM 181 C C . CYS A 1 28 ? 5.531 10.744 29.659 1.0 22.41 ? 52 CYS A C 1 28 . A ATOM 182 O O . CYS A 1 28 ? 5.880 11.915 29.453 1.0 22.64 ? 52 CYS A O 1 28 . A ATOM 183 C CB . CYS A 1 28 ? 7.004 10.662 31.708 1.0 21.6 ? 52 CYS A CB 1 28 . A ATOM 184 S SG . CYS A 1 28 ? 7.246 10.021 33.382 1.0 24.24 ? 52 CYS A SG 1 28 . A ATOM 185 N N . ARG A 1 29 ? 4.967 9.983 28.694 1.0 21.46 ? 53 ARG A N 1 29 . A ATOM 186 C CA . ARG A 1 29 ? 4.707 10.579 27.397 1.0 20.35 ? 53 ARG A CA 1 29 . A ATOM 187 C C . ARG A 1 29 ? 3.320 10.110 26.945 1.0 23.95 ? 53 ARG A C 1 29 . A ATOM 188 O O . ARG A 1 29 ? 3.008 8.922 27.029 1.0 21.79 ? 53 ARG A O 1 29 . A ATOM 189 C CB . ARG A 1 29 ? 5.786 10.247 26.364 1.0 21.35 ? 53 ARG A CB 1 29 . A ATOM 190 C CG . ARG A 1 29 ? 5.495 10.827 24.977 1.0 23.3 ? 53 ARG A CG 1 29 . A ATOM 191 C CD . ARG A 1 29 ? 6.698 10.695 24.031 1.0 25.77 ? 53 ARG A CD 1 29 . A ATOM 192 N NE . ARG A 1 29 ? 7.753 11.626 24.437 1.0 35.15 ? 53 ARG A NE 1 29 . A ATOM 193 C CZ . ARG A 1 29 ? 8.956 11.732 23.884 1.0 49.92 ? 53 ARG A CZ 1 29 . A ATOM 194 N NH1 . ARG A 1 29 ? 9.320 10.921 22.898 1.0 42.38 ? 53 ARG A NH1 1 29 . A ATOM 195 N NH2 . ARG A 1 29 ? 9.820 12.633 24.337 1.0 35.91 ? 53 ARG A NH2 1 29 . A ATOM 196 N N . ILE A 1 30 ? 2.495 11.053 26.488 1.0 21.19 ? 54 ILE A N 1 30 . A ATOM 197 C CA . ILE A 1 30 ? 1.135 10.743 26.051 1.0 21.08 ? 54 ILE A CA 1 30 . A ATOM 198 C C . ILE A 1 30 ? 0.963 11.298 24.654 1.0 25.16 ? 54 ILE A C 1 30 . A ATOM 199 O O . ILE A 1 30 ? 1.265 12.470 24.400 1.0 24.21 ? 54 ILE A O 1 30 . A ATOM 200 C CB . ILE A 1 30 ? 0.033 11.158 27.055 1.0 24.92 ? 54 ILE A CB 1 30 . A ATOM 201 C CG1 . ILE A 1 30 ? -1.362 10.572 26.602 1.0 26.04 ? 54 ILE A CG1 1 30 . A ATOM 202 C CG2 . ILE A 1 30 ? 0.037 12.709 27.264 1.0 27.49 ? 54 ILE A CG2 1 30 . A ATOM 203 C CD1 . ILE A 1 30 ? -2.528 10.648 27.627 1.0 34.25 ? 54 ILE A CD1 1 30 . A ATOM 204 N N . CYS A 1 31 ? 0.488 10.423 23.734 1.0 22.95 ? 55 CYS A N 1 31 . A ATOM 205 C CA . CYS A 1 31 ? 0.373 10.705 22.304 1.0 23.53 ? 55 CYS A CA 1 31 . A ATOM 206 C C . CYS A 1 31 ? -1.035 10.523 21.771 1.0 26.9 ? 55 CYS A C 1 31 . A ATOM 207 O O . CYS A 1 31 ? -1.827 9.738 22.296 1.0 25.94 ? 55 CYS A O 1 31 . A ATOM 208 C CB . CYS A 1 31 ? 1.341 9.824 21.509 1.0 24.83 ? 55 CYS A CB 1 31 . A ATOM 209 S SG . CYS A 1 31 ? 3.092 10.044 21.907 1.0 28.04 ? 55 CYS A SG 1 31 . A ATOM 210 N N . VAL A 1 32 ? -1.334 11.277 20.722 1.0 26.1 ? 56 VAL A N 1 32 . A ATOM 211 C CA . VAL A 1 32 ? -2.583 11.190 19.972 1.0 27.44 ? 56 VAL A CA 1 32 . A ATOM 212 C C . VAL A 1 32 ? -2.260 11.215 18.487 1.0 28.39 ? 56 VAL A C 1 32 . A ATOM 213 O O . VAL A 1 32 ? -1.326 11.904 18.044 1.0 28.03 ? 56 VAL A O 1 32 . A ATOM 214 C CB . VAL A 1 32 ? -3.677 12.225 20.396 1.0 33.7 ? 56 VAL A CB 1 32 . A ATOM 215 C CG1 . VAL A 1 32 ? -3.288 13.655 20.003 1.0 34.17 ? 56 VAL A CG1 1 32 . A ATOM 216 C CG2 . VAL A 1 32 ? -5.041 11.861 19.796 1.0 33.82 ? 56 VAL A CG2 1 32 . A ATOM 217 N N . CYS A 1 33 ? -2.991 10.393 17.709 1.0 27.7 ? 57 CYS A N 1 33 . A ATOM 218 C CA . CYS A 1 33 ? -2.869 10.417 16.285 1.0 28.71 ? 57 CYS A CA 1 33 . A ATOM 219 C C . CYS A 1 33 ? -3.974 11.359 15.798 1.0 32.56 ? 57 CYS A C 1 33 . A ATOM 220 O O . CYS A 1 33 ? -5.148 11.078 16.005 1.0 29.5 ? 57 CYS A O 1 33 . A ATOM 221 C CB . CYS A 1 33 ? -3.031 9.033 15.671 1.0 29.9 ? 57 CYS A CB 1 33 . A ATOM 222 S SG . CYS A 1 33 ? -3.185 9.102 13.869 1.0 34.01 ? 57 CYS A SG 1 33 . A ATOM 223 N N . ASP A 1 34 ? -3.586 12.483 15.230 1.0 33.87 ? 58 ASP A N 1 34 . A ATOM 224 C CA . ASP A 1 34 ? -4.536 13.482 14.744 1.0 34.18 ? 58 ASP A CA 1 34 . A ATOM 225 C C . ASP A 1 34 ? -4.348 13.693 13.243 1.0 38.97 ? 58 ASP A C 1 34 . A ATOM 226 O O . ASP A 1 34 ? -3.417 14.386 12.824 1.0 38.86 ? 58 ASP A O 1 34 . A ATOM 227 C CB . ASP A 1 34 ? -4.373 14.788 15.544 1.0 36.69 ? 58 ASP A CB 1 34 . A ATOM 228 C CG . ASP A 1 34 ? -5.199 15.954 15.022 1.0 48.41 ? 58 ASP A CG 1 34 . A ATOM 229 O OD1 . ASP A 1 34 ? -6.385 15.729 14.652 1.0 46.62 ? 58 ASP A OD1 1 34 . A ATOM 230 O OD2 . ASP A 1 34 ? -4.675 17.088 15.012 1.0 52.89 ? 58 ASP A OD2 1 34 . A ATOM 231 N N . THR A 1 35 ? -5.196 13.024 12.432 1.0 37.83 ? 59 THR A N 1 35 . A ATOM 232 C CA . THR A 1 35 ? -5.209 13.096 10.948 1.0 38.26 ? 59 THR A CA 1 35 . A ATOM 233 C C . THR A 1 35 ? -3.812 12.989 10.319 1.0 43.0 ? 59 THR A C 1 35 . A ATOM 234 O O . THR A 1 35 ? -3.366 13.886 9.582 1.0 44.05 ? 59 THR A O 1 35 . A ATOM 235 C CB . THR A 1 35 ? -5.973 14.364 10.491 1.0 44.81 ? 59 THR A CB 1 35 . A ATOM 236 O OG1 . THR A 1 35 ? -7.025 14.611 11.415 1.0 45.99 ? 59 THR A OG1 1 35 . A ATOM 237 C CG2 . THR A 1 35 ? -6.566 14.224 9.085 1.0 43.44 ? 59 THR A CG2 1 35 . A ATOM 238 N N . GLY A 1 36 ? -3.108 11.905 10.646 1.0 36.49 ? 60 GLY A N 1 36 . A ATOM 239 C CA . GLY A 1 36 ? -1.773 11.669 10.113 1.0 34.88 ? 60 GLY A CA 1 36 . A ATOM 240 C C . GLY A 1 36 ? -0.641 12.281 10.897 1.0 36.6 ? 60 GLY A C 1 36 . A ATOM 241 O O . GLY A 1 36 ? 0.520 11.950 10.654 1.0 36.6 ? 60 GLY A O 1 36 . A ATOM 242 N N . THR A 1 37 ? -0.952 13.195 11.837 1.0 33.31 ? 61 THR A N 1 37 . A ATOM 243 C CA . THR A 1 37 ? 0.105 13.827 12.619 1.0 32.26 ? 61 THR A CA 1 37 . A ATOM 244 C C . THR A 1 37 ? 0.063 13.297 14.064 1.0 31.79 ? 61 THR A C 1 37 . A ATOM 245 O O . THR A 1 37 ? -0.983 13.325 14.727 1.0 30.58 ? 61 THR A O 1 37 . A ATOM 246 C CB . THR A 1 37 ? -0.015 15.367 12.574 1.0 43.36 ? 61 THR A CB 1 37 . A ATOM 247 O OG1 . THR A 1 37 ? 0.072 15.822 11.214 1.0 50.02 ? 61 THR A OG1 1 37 . A ATOM 248 C CG2 . THR A 1 37 ? 1.056 16.067 13.418 1.0 42.08 ? 61 THR A CG2 1 37 . A ATOM 249 N N . VAL A 1 38 ? 1.215 12.863 14.538 1.0 30.67 ? 62 VAL A N 1 38 . A ATOM 250 C CA . VAL A 1 38 ? 1.327 12.370 15.910 1.0 29.58 ? 62 VAL A CA 1 38 . A ATOM 251 C C . VAL A 1 38 ? 1.583 13.605 16.783 1.0 31.8 ? 62 VAL A C 1 38 . A ATOM 252 O O . VAL A 1 38 ? 2.562 14.320 16.535 1.0 32.58 ? 62 VAL A O 1 38 . A ATOM 253 C CB . VAL A 1 38 ? 2.472 11.328 16.086 1.0 33.25 ? 62 VAL A CB 1 38 . A ATOM 254 C CG1 . VAL A 1 38 ? 2.655 10.945 17.556 1.0 32.78 ? 62 VAL A CG1 1 38 . A ATOM 255 C CG2 . VAL A 1 38 ? 2.232 10.075 15.255 1.0 32.79 ? 62 VAL A CG2 1 38 . A ATOM 256 N N . LEU A 1 39 ? 0.757 13.803 17.815 1.0 28.61 ? 63 LEU A N 1 39 . A ATOM 257 C CA . LEU A 1 39 ? 0.938 14.888 18.796 1.0 28.62 ? 63 LEU A CA 1 39 . A ATOM 258 C C . LEU A 1 39 ? 1.237 14.236 20.151 1.0 28.23 ? 63 LEU A C 1 39 . A ATOM 259 O O . LEU A 1 39 ? 0.405 13.485 20.639 1.0 27.41 ? 63 LEU A O 1 39 . A ATOM 260 C CB . LEU A 1 39 ? -0.318 15.774 18.898 1.0 29.91 ? 63 LEU A CB 1 39 . A ATOM 261 C CG . LEU A 1 39 ? -0.813 16.419 17.585 1.0 34.78 ? 63 LEU A CG 1 39 . A ATOM 262 C CD1 . LEU A 1 39 ? -2.104 17.174 17.816 1.0 36.75 ? 63 LEU A CD1 1 39 . A ATOM 263 C CD2 . LEU A 1 39 ? 0.237 17.322 16.981 1.0 35.38 ? 63 LEU A CD2 1 39 . A ATOM 264 N N . CYS A 1 40 ? 2.394 14.534 20.761 1.0 25.99 ? 64 CYS A N 1 40 . A ATOM 265 C CA . CYS A 1 40 ? 2.754 13.963 22.062 1.0 25.46 ? 64 CYS A CA 1 40 . A ATOM 266 C C . CYS A 1 40 ? 3.071 15.055 23.032 1.0 28.84 ? 64 CYS A C 1 40 . A ATOM 267 O O . CYS A 1 40 ? 3.762 15.989 22.664 1.0 29.56 ? 64 CYS A O 1 40 . A ATOM 268 C CB . CYS A 1 40 ? 3.949 13.014 21.962 1.0 26.18 ? 64 CYS A CB 1 40 . A ATOM 269 S SG . CYS A 1 40 ? 3.730 11.635 20.816 1.0 29.07 ? 64 CYS A SG 1 40 . A ATOM 270 N N . ASP A 1 41 ? 2.664 14.884 24.277 1.0 23.21 ? 65 ASP A N 1 41 . A ATOM 271 C CA . ASP A 1 41 ? 3.097 15.772 25.370 1.0 22.38 ? 65 ASP A CA 1 41 . A ATOM 272 C C . ASP A 1 41 ? 3.950 14.920 26.318 1.0 26.84 ? 65 ASP A C 1 41 . A ATOM 273 O O . ASP A 1 41 ? 3.659 13.736 26.503 1.0 25.27 ? 65 ASP A O 1 41 . A ATOM 274 C CB . ASP A 1 41 ? 1.894 16.268 26.177 1.0 22.85 ? 65 ASP A CB 1 41 . A ATOM 275 C CG . ASP A 1 41 ? 1.092 17.392 25.558 1.0 23.81 ? 65 ASP A CG 1 41 . A ATOM 276 O OD1 . ASP A 1 41 ? 1.420 17.805 24.445 1.0 25.37 ? 65 ASP A OD1 1 41 . A ATOM 277 O OD2 . ASP A 1 41 ? 0.079 17.788 26.158 1.0 29.79 ? 65 ASP A OD2 1 41 . A ATOM 278 N N . ASP A 1 42 ? 4.955 15.529 26.967 1.0 22.21 ? 66 ASP A N 1 42 . A ATOM 279 C CA . ASP A 1 42 ? 5.632 14.832 28.037 1.0 21.68 ? 66 ASP A CA 1 42 . A ATOM 280 C C . ASP A 1 42 ? 4.967 15.229 29.356 1.0 25.08 ? 66 ASP A C 1 42 . A ATOM 281 O O . ASP A 1 42 ? 4.339 16.274 29.432 1.0 26.28 ? 66 ASP A O 1 42 . A ATOM 282 C CB . ASP A 1 42 ? 7.128 15.131 28.041 1.0 23.15 ? 66 ASP A CB 1 42 . A ATOM 283 C CG . ASP A 1 42 ? 7.832 14.371 26.936 1.0 29.0 ? 66 ASP A CG 1 42 . A ATOM 284 O OD1 . ASP A 1 42 ? 7.220 13.427 26.382 1.0 29.57 ? 66 ASP A OD1 1 42 . A ATOM 285 O OD2 . ASP A 1 42 ? 8.962 14.734 26.607 1.0 33.6 ? 66 ASP A OD2 1 42 . A ATOM 286 N N . ILE A 1 43 ? 5.129 14.417 30.382 1.0 20.55 ? 67 ILE A N 1 43 . A ATOM 287 C CA . ILE A 1 43 ? 4.548 14.657 31.677 1.0 21.38 ? 67 ILE A CA 1 43 . A ATOM 288 C C . ILE A 1 43 ? 5.674 14.997 32.611 1.0 24.03 ? 67 ILE A C 1 43 . A ATOM 289 O O . ILE A 1 43 ? 6.687 14.276 32.670 1.0 23.98 ? 67 ILE A O 1 43 . A ATOM 290 C CB . ILE A 1 43 ? 3.750 13.406 32.126 1.0 24.93 ? 67 ILE A CB 1 43 . A ATOM 291 C CG1 . ILE A 1 43 ? 2.565 13.125 31.143 1.0 26.88 ? 67 ILE A CG1 1 43 . A ATOM 292 C CG2 . ILE A 1 43 ? 3.277 13.517 33.547 1.0 25.4 ? 67 ILE A CG2 1 43 . A ATOM 293 C CD1 . ILE A 1 43 ? 2.137 11.738 31.147 1.0 33.8 ? 67 ILE A CD1 1 43 . A ATOM 294 N N . ILE A 1 44 ? 5.469 16.068 33.355 1.0 20.93 ? 68 ILE A N 1 44 . A ATOM 295 C CA . ILE A 1 44 ? 6.405 16.565 34.368 1.0 22.76 ? 68 ILE A CA 1 44 . A ATOM 296 C C . ILE A 1 44 ? 5.749 16.455 35.729 1.0 25.45 ? 68 ILE A C 1 44 . A ATOM 297 O O . ILE A 1 44 ? 4.592 16.802 35.893 1.0 23.91 ? 68 ILE A O 1 44 . A ATOM 298 C CB . ILE A 1 44 ? 6.913 17.993 34.031 1.0 26.91 ? 68 ILE A CB 1 44 . A ATOM 299 C CG1 . ILE A 1 44 ? 5.779 19.051 33.971 1.0 29.0 ? 68 ILE A CG1 1 44 . A ATOM 300 C CG2 . ILE A 1 44 ? 7.737 17.973 32.730 1.0 29.25 ? 68 ILE A CG2 1 44 . A ATOM 301 C CD1 . ILE A 1 44 ? 6.318 20.597 33.745 1.0 46.63 ? 68 ILE A CD1 1 44 . A ATOM 302 N N . CYS A 1 45 ? 6.469 15.904 36.701 1.0 22.78 ? 69 CYS A N 1 45 . A ATOM 303 C CA . CYS A 1 45 ? 5.869 15.697 38.021 1.0 22.2 ? 69 CYS A CA 1 45 . A ATOM 304 C C . CYS A 1 45 ? 6.219 16.872 38.874 1.0 28.21 ? 69 CYS A C 1 45 . A ATOM 305 O O . CYS A 1 45 ? 7.402 17.232 38.976 1.0 29.65 ? 69 CYS A O 1 45 . A ATOM 306 C CB . CYS A 1 45 ? 6.384 14.406 38.671 1.0 22.2 ? 69 CYS A CB 1 45 . A ATOM 307 S SG . CYS A 1 45 ? 6.262 12.937 37.636 1.0 26.19 ? 69 CYS A SG 1 45 . A ATOM 308 N N . GLU A 1 46 ? 5.232 17.448 39.488 1.0 25.6 ? 70 GLU A N 1 46 . A ATOM 309 C CA . GLU A 1 46 ? 5.484 18.515 40.456 1.0 26.25 ? 70 GLU A CA 1 46 . A ATOM 310 C C . GLU A 1 46 ? 5.412 17.909 41.837 1.0 29.78 ? 70 GLU A C 1 46 . A ATOM 311 O O . GLU A 1 46 ? 4.323 17.557 42.340 1.0 26.73 ? 70 GLU A O 1 46 . A ATOM 312 C CB . GLU A 1 46 ? 4.492 19.664 40.281 1.0 27.99 ? 70 GLU A CB 1 46 . A ATOM 313 C CG . GLU A 1 46 ? 4.696 20.729 41.341 1.0 38.35 ? 70 GLU A CG 1 46 . A ATOM 314 C CD . GLU A 1 46 ? 4.026 22.055 41.078 1.0 57.46 ? 70 GLU A CD 1 46 . A ATOM 315 O OE1 . GLU A 1 46 ? 3.415 22.206 39.995 1.0 40.75 ? 70 GLU A OE1 1 46 . A ATOM 316 O OE2 . GLU A 1 46 ? 4.099 22.935 41.967 1.0 51.21 ? 70 GLU A OE2 1 46 . A ATOM 317 N N . ASP A 1 47 ? 6.582 17.779 42.463 1.0 29.94 ? 71 ASP A N 1 47 . A ATOM 318 C CA . ASP A 1 47 ? 6.699 17.181 43.785 1.0 31.73 ? 71 ASP A CA 1 47 . A ATOM 319 C C . ASP A 1 47 ? 6.647 18.279 44.824 1.0 40.39 ? 71 ASP A C 1 47 . A ATOM 320 O O . ASP A 1 47 ? 7.598 19.013 45.024 1.0 39.38 ? 71 ASP A O 1 47 . A ATOM 321 C CB . ASP A 1 47 ? 7.932 16.273 43.891 1.0 33.6 ? 71 ASP A CB 1 47 . A ATOM 322 C CG . ASP A 1 47 ? 7.948 15.183 42.844 1.0 38.64 ? 71 ASP A CG 1 47 . A ATOM 323 O OD1 . ASP A 1 47 ? 6.847 14.642 42.513 1.0 37.58 ? 71 ASP A OD1 1 47 . A ATOM 324 O OD2 . ASP A 1 47 ? 9.031 14.910 42.302 1.0 43.19 ? 71 ASP A OD2 1 47 . A ATOM 325 N N . VAL A 1 48 ? 5.439 18.478 45.340 1.0 41.24 ? 72 VAL A N 1 48 . A ATOM 326 C CA . VAL A 1 48 ? 5.046 19.514 46.294 1.0 43.35 ? 72 VAL A CA 1 48 . A ATOM 327 C C . VAL A 1 48 ? 5.651 19.325 47.713 1.0 50.61 ? 72 VAL A C 1 48 . A ATOM 328 O O . VAL A 1 48 ? 5.674 20.279 48.493 1.0 50.32 ? 72 VAL A O 1 48 . A ATOM 329 C CB . VAL A 1 48 ? 3.486 19.624 46.323 1.0 47.3 ? 72 VAL A CB 1 48 . A ATOM 330 C CG1 . VAL A 1 48 ? 2.906 19.686 44.906 1.0 45.95 ? 72 VAL A CG1 1 48 . A ATOM 331 C CG2 . VAL A 1 48 ? 2.854 18.467 47.103 1.0 47.31 ? 72 VAL A CG2 1 48 . A ATOM 332 N N . LYS A 1 49 ? 6.097 18.102 48.048 1.0 49.28 ? 73 LYS A N 1 49 . A ATOM 333 C CA . LYS A 1 49 ? 6.671 17.781 49.344 1.0 50.33 ? 73 LYS A CA 1 49 . A ATOM 334 C C . LYS A 1 49 ? 7.767 16.724 49.280 1.0 54.48 ? 73 LYS A C 1 49 . A ATOM 335 O O . LYS A 1 49 ? 7.685 15.784 48.476 1.0 54.88 ? 73 LYS A O 1 49 . A ATOM 336 C CB . LYS A 1 49 ? 5.570 17.318 50.315 1.0 53.71 ? 73 LYS A CB 1 49 . A ATOM 337 N N . ASP A 1 50 ? 8.776 16.858 50.171 1.0 47.89 ? 74 ASP A N 1 50 . A ATOM 338 C CA . ASP A 1 50 ? 9.817 15.854 50.322 1.0 45.95 ? 74 ASP A CA 1 50 . A ATOM 339 C C . ASP A 1 50 ? 9.150 14.696 51.075 1.0 47.11 ? 74 ASP A C 1 50 . A ATOM 340 O O . ASP A 1 50 ? 8.503 14.901 52.096 1.0 49.68 ? 74 ASP A O 1 50 . A ATOM 341 C CB . ASP A 1 50 ? 11.047 16.412 51.050 1.0 47.58 ? 74 ASP A CB 1 50 . A ATOM 342 C CG . ASP A 1 50 ? 11.795 17.473 50.253 1.0 59.56 ? 74 ASP A CG 1 50 . A ATOM 343 O OD1 . ASP A 1 50 ? 11.678 17.477 49.004 1.0 59.86 ? 74 ASP A OD1 1 50 . A ATOM 344 O OD2 . ASP A 1 50 ? 12.477 18.313 50.877 1.0 65.83 ? 74 ASP A OD2 1 50 . A ATOM 345 N N . CYS A 1 51 ? 9.214 13.510 50.493 1.0 38.28 ? 75 CYS A N 1 51 . A ATOM 346 C CA . CYS A 1 51 ? 8.518 12.338 50.984 1.0 36.19 ? 75 CYS A CA 1 51 . A ATOM 347 C C . CYS A 1 51 ? 9.511 11.352 51.565 1.0 37.19 ? 75 CYS A C 1 51 . A ATOM 348 O O . CYS A 1 51 ? 10.560 11.194 50.977 1.0 36.68 ? 75 CYS A O 1 51 . A ATOM 349 C CB . CYS A 1 51 ? 7.751 11.721 49.816 1.0 35.88 ? 75 CYS A CB 1 51 . A ATOM 350 S SG . CYS A 1 51 ? 6.740 10.301 50.263 1.0 38.96 ? 75 CYS A SG 1 51 . A ATOM 351 N N . LEU A 1 52 ? 9.171 10.651 52.673 1.0 34.54 ? 76 LEU A N 1 52 . A ATOM 352 C CA . LEU A 1 52 ? 10.077 9.633 53.221 1.0 34.94 ? 76 LEU A CA 1 52 . A ATOM 353 C C . LEU A 1 52 ? 9.899 8.273 52.532 1.0 31.81 ? 76 LEU A C 1 52 . A ATOM 354 O O . LEU A 1 52 ? 10.819 7.476 52.530 1.0 28.14 ? 76 LEU A O 1 52 . A ATOM 355 C CB . LEU A 1 52 ? 9.930 9.491 54.745 1.0 36.24 ? 76 LEU A CB 1 52 . A ATOM 356 C CG . LEU A 1 52 ? 10.464 10.654 55.599 1.0 41.71 ? 76 LEU A CG 1 52 . A ATOM 357 C CD1 . LEU A 1 52 ? 9.853 10.619 56.976 1.0 42.57 ? 76 LEU A CD1 1 52 . A ATOM 358 C CD2 . LEU A 1 52 ? 11.982 10.580 55.741 1.0 46.1 ? 76 LEU A CD2 1 52 . A ATOM 359 N N . SER A 1 53 ? 8.730 8.020 51.923 1.0 28.49 ? 77 SER A N 1 53 . A ATOM 360 C CA . SER A 1 53 ? 8.454 6.757 51.238 1.0 27.74 ? 77 SER A CA 1 53 . A ATOM 361 C C . SER A 1 53 ? 7.784 6.955 49.848 1.0 30.55 ? 77 SER A C 1 53 . A ATOM 362 O O . SER A 1 53 ? 6.673 6.484 49.646 1.0 30.13 ? 77 SER A O 1 53 . A ATOM 363 C CB . SER A 1 53 ? 7.588 5.858 52.113 1.0 33.27 ? 77 SER A CB 1 53 . A ATOM 364 O OG . SER A 1 53 ? 7.472 4.607 51.460 1.0 43.59 ? 77 SER A OG 1 53 . A ATOM 365 N N . PRO A 1 54 ? 8.437 7.634 48.881 1.0 27.32 ? 78 PRO A N 1 54 . A ATOM 366 C CA . PRO A 1 54 ? 7.799 7.824 47.564 1.0 26.52 ? 78 PRO A CA 1 54 . A ATOM 367 C C . PRO A 1 54 ? 7.701 6.507 46.808 1.0 31.07 ? 78 PRO A C 1 54 . A ATOM 368 O O . PRO A 1 54 ? 8.568 5.629 46.934 1.0 31.68 ? 78 PRO A O 1 54 . A ATOM 369 C CB . PRO A 1 54 ? 8.749 8.779 46.865 1.0 27.79 ? 78 PRO A CB 1 54 . A ATOM 370 C CG . PRO A 1 54 ? 10.115 8.414 47.451 1.0 33.07 ? 78 PRO A CG 1 54 . A ATOM 371 C CD . PRO A 1 54 ? 9.802 8.204 48.904 1.0 29.77 ? 78 PRO A CD 1 54 . A ATOM 372 N N . GLU A 1 55 ? 6.634 6.360 46.030 1.0 24.5 ? 79 GLU A N 1 55 . A ATOM 373 C CA . GLU A 1 55 ? 6.385 5.152 45.258 1.0 26.13 ? 79 GLU A CA 1 55 . A ATOM 374 C C . GLU A 1 55 ? 5.899 5.563 43.892 1.0 27.96 ? 79 GLU A C 1 55 . A ATOM 375 O O . GLU A 1 55 ? 5.051 6.435 43.807 1.0 26.8 ? 79 GLU A O 1 55 . A ATOM 376 C CB . GLU A 1 55 ? 5.276 4.322 45.957 1.0 28.37 ? 79 GLU A CB 1 55 . A ATOM 377 C CG . GLU A 1 55 ? 5.724 3.705 47.277 1.0 41.43 ? 79 GLU A CG 1 55 . A ATOM 378 C CD . GLU A 1 55 ? 4.615 3.216 48.189 1.0 63.38 ? 79 GLU A CD 1 55 . A ATOM 379 O OE1 . GLU A 1 55 ? 3.456 3.106 47.724 1.0 57.28 ? 79 GLU A OE1 1 55 . A ATOM 380 O OE2 . GLU A 1 55 ? 4.898 2.975 49.384 1.0 64.68 ? 79 GLU A OE2 1 55 . A ATOM 381 N N . ILE A 1 56 ? 6.412 4.940 42.828 1.0 23.96 ? 80 ILE A N 1 56 . A ATOM 382 C CA . ILE A 1 56 ? 5.911 5.214 41.481 1.0 24.81 ? 80 ILE A CA 1 56 . A ATOM 383 C C . ILE A 1 56 ? 5.190 3.937 41.051 1.0 32.43 ? 80 ILE A C 1 56 . A ATOM 384 O O . ILE A 1 56 ? 5.864 2.927 40.802 1.0 32.22 ? 80 ILE A O 1 56 . A ATOM 385 C CB . ILE A 1 56 ? 6.992 5.642 40.463 1.0 26.18 ? 80 ILE A CB 1 56 . A ATOM 386 C CG1 . ILE A 1 56 ? 7.694 6.924 40.927 1.0 24.69 ? 80 ILE A CG1 1 56 . A ATOM 387 C CG2 . ILE A 1 56 ? 6.332 5.869 39.087 1.0 27.93 ? 80 ILE A CG2 1 56 . A ATOM 388 C CD1 . ILE A 1 56 ? 8.812 7.372 39.938 1.0 24.92 ? 80 ILE A CD1 1 56 . A ATOM 389 N N . PRO A 1 57 ? 3.829 3.959 41.021 1.0 33.99 ? 81 PRO A N 1 57 . A ATOM 390 C CA . PRO A 1 57 ? 3.082 2.759 40.610 1.0 34.94 ? 81 PRO A CA 1 57 . A ATOM 391 C C . PRO A 1 57 ? 3.459 2.320 39.203 1.0 39.0 ? 81 PRO A C 1 57 . A ATOM 392 O O . PRO A 1 57 ? 3.693 3.162 38.348 1.0 36.45 ? 81 PRO A O 1 57 . A ATOM 393 C CB . PRO A 1 57 ? 1.612 3.207 40.674 1.0 37.17 ? 81 PRO A CB 1 57 . A ATOM 394 C CG . PRO A 1 57 ? 1.597 4.426 41.538 1.0 41.18 ? 81 PRO A CG 1 57 . A ATOM 395 C CD . PRO A 1 57 ? 2.916 5.095 41.269 1.0 36.38 ? 81 PRO A CD 1 57 . A ATOM 396 N N . PHE A 1 58 ? 3.494 1.004 38.961 1.0 39.2 ? 82 PHE A N 1 58 . A ATOM 397 C CA . PHE A 1 58 ? 3.827 0.439 37.651 1.0 40.58 ? 82 PHE A CA 1 58 . A ATOM 398 C C . PHE A 1 58 ? 3.036 1.111 36.514 1.0 38.98 ? 82 PHE A C 1 58 . A ATOM 399 O O . PHE A 1 58 ? 1.823 1.281 36.638 1.0 39.46 ? 82 PHE A O 1 58 . A ATOM 400 C CB . PHE A 1 58 ? 3.593 -1.083 37.668 1.0 45.28 ? 82 PHE A CB 1 58 . A ATOM 401 C CG . PHE A 1 58 ? 4.443 -1.823 36.665 1.0 50.11 ? 82 PHE A CG 1 58 . A ATOM 402 C CD1 . PHE A 1 58 ? 5.800 -2.039 36.900 1.0 55.39 ? 82 PHE A CD1 1 58 . A ATOM 403 C CD2 . PHE A 1 58 ? 3.892 -2.302 35.483 1.0 55.33 ? 82 PHE A CD2 1 58 . A ATOM 404 C CE1 . PHE A 1 58 ? 6.590 -2.721 35.966 1.0 57.69 ? 82 PHE A CE1 1 58 . A ATOM 405 C CE2 . PHE A 1 58 ? 4.678 -2.998 34.555 1.0 59.4 ? 82 PHE A CE2 1 58 . A ATOM 406 C CZ . PHE A 1 58 ? 6.024 -3.196 34.799 1.0 58.04 ? 82 PHE A CZ 1 58 . A ATOM 407 N N . GLY A 1 59 ? 3.747 1.549 35.477 1.0 33.47 ? 83 GLY A N 1 59 . A ATOM 408 C CA . GLY A 1 59 ? 3.178 2.224 34.308 1.0 33.17 ? 83 GLY A CA 1 59 . A ATOM 409 C C . GLY A 1 59 ? 2.830 3.689 34.469 1.0 35.53 ? 83 GLY A C 1 59 . A ATOM 410 O O . GLY A 1 59 ? 2.406 4.337 33.507 1.0 35.83 ? 83 GLY A O 1 59 . A ATOM 411 N N . GLU A 1 60 ? 3.041 4.240 35.669 1.0 31.02 ? 84 GLU A N 1 60 . A ATOM 412 C CA . GLU A 1 60 ? 2.737 5.638 35.929 1.0 30.18 ? 84 GLU A CA 1 60 . A ATOM 413 C C . GLU A 1 60 ? 4.008 6.471 35.898 1.0 29.49 ? 84 GLU A C 1 60 . A ATOM 414 O O . GLU A 1 60 ? 5.096 5.936 36.006 1.0 25.7 ? 84 GLU A O 1 60 . A ATOM 415 C CB . GLU A 1 60 ? 1.978 5.789 37.247 1.0 32.3 ? 84 GLU A CB 1 60 . A ATOM 416 C CG . GLU A 1 60 ? 0.702 4.952 37.296 1.0 43.98 ? 84 GLU A CG 1 60 . A ATOM 417 C CD . GLU A 1 60 ? -0.424 5.523 38.136 1.0 85.03 ? 84 GLU A CD 1 60 . A ATOM 418 O OE1 . GLU A 1 60 ? -1.546 5.663 37.597 1.0 89.53 ? 84 GLU A OE1 1 60 . A ATOM 419 O OE2 . GLU A 1 60 ? -0.192 5.831 39.328 1.0 87.58 ? 84 GLU A OE2 1 60 . A ATOM 420 N N . CYS A 1 61 ? 3.870 7.764 35.730 1.0 24.51 ? 85 CYS A N 1 61 . A ATOM 421 C CA . CYS A 1 61 ? 5.001 8.647 35.634 1.0 22.6 ? 85 CYS A CA 1 61 . A ATOM 422 C C . CYS A 1 61 ? 5.471 9.167 36.995 1.0 25.64 ? 85 CYS A C 1 61 . A ATOM 423 O O . CYS A 1 61 ? 6.679 9.288 37.256 1.0 26.45 ? 85 CYS A O 1 61 . A ATOM 424 C CB . CYS A 1 61 ? 4.594 9.796 34.721 1.0 22.11 ? 85 CYS A CB 1 61 . A ATOM 425 S SG . CYS A 1 61 ? 5.859 11.034 34.486 1.0 24.51 ? 85 CYS A SG 1 61 . A ATOM 426 N N . CYS A 1 62 ? 4.511 9.594 37.807 1.0 22.65 ? 86 CYS A N 1 62 . A ATOM 427 C CA . CYS A 1 62 ? 4.739 10.349 39.011 1.0 21.52 ? 86 CYS A CA 1 62 . A ATOM 428 C C . CYS A 1 62 ? 4.515 9.591 40.317 1.0 25.42 ? 86 CYS A C 1 62 . A ATOM 429 O O . CYS A 1 62 ? 3.782 8.612 40.392 1.0 24.0 ? 86 CYS A O 1 62 . A ATOM 430 C CB . CYS A 1 62 ? 3.924 11.642 38.973 1.0 22.13 ? 86 CYS A CB 1 62 . A ATOM 431 S SG . CYS A 1 62 ? 4.250 12.672 37.518 1.0 25.17 ? 86 CYS A SG 1 62 . A ATOM 432 N N . PRO A 1 63 ? 5.154 10.083 41.389 1.0 24.15 ? 87 PRO A N 1 63 . A ATOM 433 C CA . PRO A 1 63 ? 5.054 9.376 42.664 1.0 23.89 ? 87 PRO A CA 1 63 . A ATOM 434 C C . PRO A 1 63 ? 3.831 9.689 43.473 1.0 27.45 ? 87 PRO A C 1 63 . A ATOM 435 O O . PRO A 1 63 ? 3.226 10.742 43.353 1.0 26.45 ? 87 PRO A O 1 63 . A ATOM 436 C CB . PRO A 1 63 ? 6.319 9.807 43.422 1.0 25.13 ? 87 PRO A CB 1 63 . A ATOM 437 C CG . PRO A 1 63 ? 6.776 11.037 42.792 1.0 30.83 ? 87 PRO A CG 1 63 . A ATOM 438 C CD . PRO A 1 63 ? 6.096 11.217 41.463 1.0 25.28 ? 87 PRO A CD 1 63 . A ATOM 439 N N . ILE A 1 64 ? 3.527 8.771 44.355 1.0 24.08 ? 88 ILE A N 1 64 . A ATOM 440 C CA . ILE A 1 64 ? 2.542 8.945 45.416 1.0 26.77 ? 88 ILE A CA 1 64 . A ATOM 441 C C . ILE A 1 64 ? 3.377 8.917 46.704 1.0 30.81 ? 88 ILE A C 1 64 . A ATOM 442 O O . ILE A 1 64 ? 4.413 8.248 46.741 1.0 28.47 ? 88 ILE A O 1 64 . A ATOM 443 C CB . ILE A 1 64 ? 1.467 7.842 45.381 1.0 31.99 ? 88 ILE A CB 1 64 . A ATOM 444 C CG1 . ILE A 1 64 ? 2.061 6.443 45.580 1.0 35.31 ? 88 ILE A CG1 1 64 . A ATOM 445 C CG2 . ILE A 1 64 ? 0.677 7.927 44.062 1.0 33.8 ? 88 ILE A CG2 1 64 . A ATOM 446 C CD1 . ILE A 1 64 ? 1.123 5.320 45.177 1.0 49.43 ? 88 ILE A CD1 1 64 . A ATOM 447 N N . CYS A 1 65 ? 2.955 9.655 47.714 1.0 29.63 ? 89 CYS A N 1 65 . A ATOM 448 C CA . CYS A 1 65 ? 3.610 9.698 49.015 1.0 31.7 ? 89 CYS A CA 1 65 . A ATOM 449 C C . CYS A 1 65 ? 2.601 9.167 50.024 1.0 38.25 ? 89 CYS A C 1 65 . A ATOM 450 O O . CYS A 1 65 ? 1.764 9.947 50.471 1.0 36.31 ? 89 CYS A O 1 65 . A ATOM 451 C CB . CYS A 1 65 ? 4.062 11.111 49.370 1.0 33.93 ? 89 CYS A CB 1 65 . A ATOM 452 S SG . CYS A 1 65 ? 5.023 11.198 50.904 1.0 39.33 ? 89 CYS A SG 1 65 . A ATOM 453 N N . PRO A 1 66 ? 2.606 7.840 50.317 1.0 38.11 ? 90 PRO A N 1 66 . A ATOM 454 C CA . PRO A 1 66 ? 1.615 7.271 51.247 1.0 38.16 ? 90 PRO A CA 1 66 . A ATOM 455 C C . PRO A 1 66 ? 1.578 7.943 52.606 1.0 42.33 ? 90 PRO A C 1 66 . A ATOM 456 O O . PRO A 1 66 ? 2.606 8.334 53.152 1.0 41.07 ? 90 PRO A O 1 66 . A ATOM 457 C CB . PRO A 1 66 ? 2.021 5.797 51.343 1.0 40.34 ? 90 PRO A CB 1 66 . A ATOM 458 C CG . PRO A 1 66 ? 2.730 5.528 50.057 1.0 45.75 ? 90 PRO A CG 1 66 . A ATOM 459 C CD . PRO A 1 66 ? 3.510 6.786 49.811 1.0 40.79 ? 90 PRO A CD 1 66 . A ATOM 460 N N . THR A 1 67 ? 0.354 8.157 53.090 1.0 38.73 ? 91 THR A N 1 67 . A ATOM 461 C CA . THR A 1 67 ? 0.070 8.797 54.365 1.0 38.06 ? 91 THR A CA 1 67 . A ATOM 462 C C . THR A 1 67 ? -0.889 7.868 55.137 1.0 41.83 ? 91 THR A C 1 67 . A ATOM 463 O O . THR A 1 67 ? -1.652 7.123 54.511 1.0 42.39 ? 91 THR A O 1 67 . A ATOM 464 C CB . THR A 1 67 ? -0.455 10.224 54.094 1.0 44.86 ? 91 THR A CB 1 67 . A ATOM 465 O OG1 . THR A 1 67 ? -0.453 11.005 55.280 1.0 54.83 ? 91 THR A OG1 1 67 . A ATOM 466 C CG2 . THR A 1 67 ? -1.807 10.245 53.443 1.0 35.77 ? 91 THR A CG2 1 67 . A ATOM 467 N N . ASP A 1 68 ? -0.808 7.858 56.463 1.0 36.79 ? 92 ASP A N 1 68 . A ATOM 468 C CA . ASP A 1 68 ? -1.744 7.028 57.234 1.0 38.09 ? 92 ASP A CA 1 68 . A ATOM 469 C C . ASP A 1 68 ? -3.066 7.807 57.432 1.0 40.38 ? 92 ASP A C 1 68 . A ATOM 470 O O . ASP A 1 68 ? -3.114 8.995 57.128 1.0 36.19 ? 92 ASP A O 1 68 . A ATOM 471 C CB . ASP A 1 68 ? -1.138 6.578 58.574 1.0 40.74 ? 92 ASP A CB 1 68 . A ATOM 472 C CG . ASP A 1 68 ? -0.539 7.669 59.430 1.0 54.09 ? 92 ASP A CG 1 68 . A ATOM 473 O OD1 . ASP A 1 68 ? -1.156 8.760 59.530 1.0 55.47 ? 92 ASP A OD1 1 68 . A ATOM 474 O OD2 . ASP A 1 68 ? 0.524 7.422 60.036 1.0 63.91 ? 92 ASP A OD2 1 68 . A ATOM 475 N N . LEU A 1 69 ? -4.124 7.167 57.970 1.0 41.1 ? 93 LEU A N 1 69 . A ATOM 476 C CA . LEU A 1 69 ? -5.397 7.890 58.184 1.0 41.48 ? 93 LEU A CA 1 69 . A ATOM 477 C C . LEU A 1 69 ? -5.297 9.026 59.178 1.0 46.22 ? 93 LEU A C 1 69 . A ATOM 478 O O . LEU A 1 69 ? -6.002 10.021 59.029 1.0 46.13 ? 93 LEU A O 1 69 . A ATOM 479 C CB . LEU A 1 69 ? -6.557 6.961 58.559 1.0 42.12 ? 93 LEU A CB 1 69 . A ATOM 480 C CG . LEU A 1 69 ? -6.975 5.940 57.516 1.0 46.75 ? 93 LEU A CG 1 69 . A ATOM 481 C CD1 . LEU A 1 69 ? -7.975 4.986 58.113 1.0 46.76 ? 93 LEU A CD1 1 69 . A ATOM 482 C CD2 . LEU A 1 69 ? -7.547 6.606 56.257 1.0 47.91 ? 93 LEU A CD2 1 69 . A ATOM 483 N N . ALA A 1 70 ? -4.390 8.931 60.166 1.0 43.32 ? 94 ALA A N 1 70 . A ATOM 484 C CA . ALA A 1 70 ? -4.220 10.001 61.160 1.0 43.08 ? 94 ALA A CA 1 70 . A ATOM 485 C C . ALA A 1 70 ? -3.728 11.279 60.523 1.0 47.72 ? 94 ALA A C 1 70 . A ATOM 486 O O . ALA A 1 70 ? -4.065 12.362 60.985 1.0 48.98 ? 94 ALA A O 1 70 . A ATOM 487 C CB . ALA A 1 70 ? -3.245 9.570 62.254 1.0 43.8 ? 94 ALA A CB 1 70 . A ATOM 488 N N . THR A 1 71 ? -2.911 11.166 59.469 1.0 42.19 ? 95 THR A N 1 71 . A ATOM 489 C CA . THR A 1 71 ? -2.339 12.366 58.872 1.0 41.01 ? 95 THR A CA 1 71 . A ATOM 490 C C . THR A 1 71 ? -2.979 12.738 57.542 1.0 40.53 ? 95 THR A C 1 71 . A ATOM 491 O O . THR A 1 71 ? -2.874 13.887 57.144 1.0 39.28 ? 95 THR A O 1 71 . A ATOM 492 C CB . THR A 1 71 ? -0.819 12.236 58.771 1.0 53.28 ? 95 THR A CB 1 71 . A ATOM 493 O OG1 . THR A 1 71 ? -0.525 11.156 57.894 1.0 55.1 ? 95 THR A OG1 1 71 . A ATOM 494 C CG2 . THR A 1 71 ? -0.163 11.978 60.132 1.0 54.22 ? 95 THR A CG2 1 71 . A ATOM 495 N N . ALA A 1 72 ? -3.649 11.806 56.867 1.0 34.18 ? 96 ALA A N 1 72 . A ATOM 496 C CA . ALA A 1 72 ? -4.241 12.124 55.575 1.0 32.23 ? 96 ALA A CA 1 72 . A ATOM 497 C C . ALA A 1 72 ? -5.264 13.234 55.627 1.0 33.01 ? 96 ALA A C 1 72 . A ATOM 498 O O . ALA A 1 72 ? -6.133 13.233 56.489 1.0 30.44 ? 96 ALA A O 1 72 . A ATOM 499 C CB . ALA A 1 72 ? -4.845 10.883 54.929 1.0 32.68 ? 96 ALA A CB 1 72 . A ATOM 500 N N . SER A 1 73 ? -5.139 14.191 54.703 1.0 28.73 ? 97 SER A N 1 73 . A ATOM 501 C CA . SER A 1 73 ? -6.091 15.303 54.519 1.0 29.45 ? 97 SER A CA 1 73 . A ATOM 502 C C . SER A 1 73 ? -5.797 16.010 53.229 1.0 30.94 ? 97 SER A C 1 73 . A ATOM 503 O O . SER A 1 73 ? -4.662 15.999 52.762 1.0 29.45 ? 97 SER A O 1 73 . A ATOM 504 C CB . SER A 1 73 ? -6.066 16.306 55.666 1.0 33.03 ? 97 SER A CB 1 73 . A ATOM 505 O OG . SER A 1 73 ? -4.746 16.776 55.800 1.0 45.74 ? 97 SER A OG 1 73 . A ATOM 506 N N . GLY A 1 74 ? -6.828 16.590 52.644 1.0 26.26 ? 98 GLY A N 1 74 . A ATOM 507 C CA . GLY A 1 74 ? -6.708 17.344 51.401 1.0 25.9 ? 98 GLY A CA 1 74 . A ATOM 508 C C . GLY A 1 74 ? -6.535 16.461 50.193 1.0 33.41 ? 98 GLY A C 1 74 . A ATOM 509 O O . GLY A 1 74 ? -6.893 15.257 50.236 1.0 31.84 ? 98 GLY A O 1 74 . A ATOM 510 O OXT . GLY A 1 74 ? -6.070 17.011 49.184 1.0 41.14 ? 98 GLY A OXT 1 74 . A HETATM 511 C C1 . EDO C 2 . ? -1.252 10.222 49.468 1.0 39.03 ? 101 EDO C C1 1 101 . A HETATM 512 O O1 . EDO C 2 . ? -0.777 10.813 50.682 1.0 34.48 ? 101 EDO C O1 1 101 . A HETATM 513 C C2 . EDO C 2 . ? -1.960 8.869 49.698 1.0 45.65 ? 101 EDO C C2 1 101 . A HETATM 514 O O2 . EDO C 2 . ? -1.914 8.100 48.493 1.0 49.1 ? 101 EDO C O2 1 101 . A HETATM 515 C C1 . EDO D 2 . ? 6.253 4.211 20.023 1.0 55.89 ? 102 EDO D C1 1 102 . A HETATM 516 O O1 . EDO D 2 . ? 6.846 3.145 19.290 1.0 58.43 ? 102 EDO D O1 1 102 . A HETATM 517 C C2 . EDO D 2 . ? 5.981 5.418 19.093 1.0 52.03 ? 102 EDO D C2 1 102 . A HETATM 518 O O2 . EDO D 2 . ? 4.965 6.255 19.632 1.0 43.63 ? 102 EDO D O2 1 102 . A HETATM 519 C C1 . EDO E 2 . ? 7.304 8.938 20.688 1.0 65.11 ? 103 EDO E C1 1 103 . A HETATM 520 O O1 . EDO E 2 . ? 8.154 9.954 20.179 1.0 66.28 ? 103 EDO E O1 1 103 . A HETATM 521 C C2 . EDO E 2 . ? 8.145 7.725 21.161 1.0 64.46 ? 103 EDO E C2 1 103 . A HETATM 522 O O2 . EDO E 2 . ? 8.752 8.001 22.413 1.0 63.94 ? 103 EDO E O2 1 103 . A HETATM 523 C C1 . EDO F 2 . ? 12.655 9.186 23.124 1.0 66.99 ? 104 EDO F C1 1 104 . A HETATM 524 O O1 . EDO F 2 . ? 11.493 8.679 22.492 1.0 66.6 ? 104 EDO F O1 1 104 . A HETATM 525 C C2 . EDO F 2 . ? 13.311 10.253 22.216 1.0 67.65 ? 104 EDO F C2 1 104 . A HETATM 526 O O2 . EDO F 2 . ? 12.471 11.395 22.138 1.0 67.51 ? 104 EDO F O2 1 104 . A HETATM 527 C C1 . EDO G 2 . ? -4.680 0.041 9.911 1.0 71.56 ? 105 EDO G C1 1 105 . A HETATM 528 O O1 . EDO G 2 . ? -5.625 -0.651 10.697 1.0 69.15 ? 105 EDO G O1 1 105 . A HETATM 529 C C2 . EDO G 2 . ? -4.313 1.325 10.661 1.0 71.43 ? 105 EDO G C2 1 105 . A HETATM 530 O O2 . EDO G 2 . ? -3.845 1.001 11.958 1.0 67.95 ? 105 EDO G O2 1 105 . A HETATM 531 C C1 . EDO H 2 . ? 9.837 11.157 40.019 1.0 53.78 ? 106 EDO H C1 1 106 . A HETATM 532 O O1 . EDO H 2 . ? 9.082 10.980 38.827 1.0 47.38 ? 106 EDO H O1 1 106 . A HETATM 533 C C2 . EDO H 2 . ? 9.399 12.480 40.652 1.0 55.71 ? 106 EDO H C2 1 106 . A HETATM 534 O O2 . EDO H 2 . ? 9.820 13.565 39.847 1.0 56.23 ? 106 EDO H O2 1 106 . A HETATM 535 C C1 . EDO I 2 . ? -3.877 7.569 52.254 1.0 74.02 ? 107 EDO I C1 1 107 . A HETATM 536 O O1 . EDO I 2 . ? -2.839 6.629 51.986 1.0 73.17 ? 107 EDO I O1 1 107 . A HETATM 537 C C2 . EDO I 2 . ? -5.146 6.869 52.743 1.0 72.57 ? 107 EDO I C2 1 107 . A HETATM 538 O O2 . EDO I 2 . ? -4.806 5.943 53.758 1.0 69.7 ? 107 EDO I O2 1 107 . A HETATM 539 C C1 . PEG J 3 . ? 8.753 1.825 23.659 1.0 70.06 ? 108 PEG J C1 1 108 . A HETATM 540 O O1 . PEG J 3 . ? 9.481 2.713 22.801 1.0 71.32 ? 108 PEG J O1 1 108 . A HETATM 541 C C2 . PEG J 3 . ? 9.585 1.498 24.891 1.0 68.78 ? 108 PEG J C2 1 108 . A HETATM 542 O O2 . PEG J 3 . ? 8.716 1.294 26.003 1.0 67.66 ? 108 PEG J O2 1 108 . A HETATM 543 C C3 . PEG J 3 . ? 9.363 1.563 27.248 1.0 65.57 ? 108 PEG J C3 1 108 . A HETATM 544 C C4 . PEG J 3 . ? 8.331 1.939 28.308 1.0 63.3 ? 108 PEG J C4 1 108 . A HETATM 545 O O4 . PEG J 3 . ? 8.688 1.358 29.567 1.0 63.37 ? 108 PEG J O4 1 108 . A HETATM 546 C C1 . PEG K 3 . ? -3.125 5.831 63.163 1.0 67.66 ? 109 PEG K C1 1 109 . A HETATM 547 O O1 . PEG K 3 . ? -1.754 6.000 63.544 1.0 68.33 ? 109 PEG K O1 1 109 . A HETATM 548 C C2 . PEG K 3 . ? -3.263 5.950 61.647 1.0 65.74 ? 109 PEG K C2 1 109 . A HETATM 549 O O2 . PEG K 3 . ? -3.207 4.645 61.079 1.0 65.33 ? 109 PEG K O2 1 109 . A HETATM 550 C C3 . PEG K 3 . ? -4.065 4.509 59.949 1.0 63.09 ? 109 PEG K C3 1 109 . A HETATM 551 C C4 . PEG K 3 . ? -3.425 3.615 58.899 1.0 62.55 ? 109 PEG K C4 1 109 . A HETATM 552 O O4 . PEG K 3 . ? -4.228 3.632 57.718 1.0 62.81 ? 109 PEG K O4 1 109 . A HETATM 553 O O1 . PG4 L 4 . ? 1.325 9.536 37.185 1.0 26.02 ? 110 PG4 L O1 1 110 . A HETATM 554 C C1 . PG4 L 4 . ? 1.128 9.930 35.830 1.0 34.14 ? 110 PG4 L C1 1 110 . A HETATM 555 C C2 . PG4 L 4 . ? 0.895 8.695 34.959 1.0 40.25 ? 110 PG4 L C2 1 110 . A HETATM 556 O O2 . PG4 L 4 . ? 0.580 9.094 33.630 1.0 52.2 ? 110 PG4 L O2 1 110 . A HETATM 557 C C3 . PG4 L 4 . ? -0.818 9.374 33.476 1.0 57.28 ? 110 PG4 L C3 1 110 . A HETATM 558 C C4 . PG4 L 4 . ? -1.088 10.094 32.158 1.0 61.38 ? 110 PG4 L C4 1 110 . A HETATM 559 O O3 . PG4 L 4 . ? -2.278 10.883 32.252 1.0 65.46 ? 110 PG4 L O3 1 110 . A HETATM 560 C C5 . PG4 L 4 . ? -1.975 12.253 32.540 1.0 67.36 ? 110 PG4 L C5 1 110 . A HETATM 561 C C6 . PG4 L 4 . ? -2.986 13.198 31.905 1.0 67.9 ? 110 PG4 L C6 1 110 . A HETATM 562 O O4 . PG4 L 4 . ? -2.484 14.535 31.985 1.0 67.56 ? 110 PG4 L O4 1 110 . A HETATM 563 C C7 . PG4 L 4 . ? -3.500 15.467 32.364 1.0 65.65 ? 110 PG4 L C7 1 110 . A HETATM 564 C C8 . PG4 L 4 . ? -2.875 16.831 32.634 1.0 64.72 ? 110 PG4 L C8 1 110 . A HETATM 565 O O5 . PG4 L 4 . ? -2.613 17.052 34.022 1.0 61.74 ? 110 PG4 L O5 1 110 . A HETATM 566 O O1 A PG4 M 4 . ? 7.696 2.014 38.037 0.5 52.0 ? 111 PG4 M O1 1 111 . A HETATM 567 O O1 B PG4 M 4 . ? 7.646 5.619 35.082 0.5 22.85 ? 111 PG4 M O1 1 111 . A HETATM 568 C C1 A PG4 M 4 . ? 6.816 2.682 37.134 0.5 51.81 ? 111 PG4 M C1 1 111 . A HETATM 569 C C1 B PG4 M 4 . ? 7.141 4.432 35.729 0.5 32.41 ? 111 PG4 M C1 1 111 . A HETATM 570 C C2 A PG4 M 4 . ? 7.428 2.662 35.744 0.5 52.6 ? 111 PG4 M C2 1 111 . A HETATM 571 C C2 B PG4 M 4 . ? 7.768 3.140 35.230 0.5 39.87 ? 111 PG4 M C2 1 111 . A HETATM 572 O O2 A PG4 M 4 . ? 6.734 1.742 34.905 0.5 53.59 ? 111 PG4 M O2 1 111 . A HETATM 573 O O2 B PG4 M 4 . ? 6.812 2.086 35.392 0.5 44.46 ? 111 PG4 M O2 1 111 . A HETATM 574 C C3 A PG4 M 4 . ? 7.523 1.396 33.765 0.5 53.2 ? 111 PG4 M C3 1 111 . A HETATM 575 C C3 B PG4 M 4 . ? 7.323 0.798 35.034 0.5 48.32 ? 111 PG4 M C3 1 111 . A HETATM 576 C C4 A PG4 M 4 . ? 7.116 0.013 33.264 0.5 53.39 ? 111 PG4 M C4 1 111 . A HETATM 577 C C4 B PG4 M 4 . ? 7.112 0.485 33.551 0.5 50.02 ? 111 PG4 M C4 1 111 . A HETATM 578 O O3 A PG4 M 4 . ? 6.361 0.127 32.058 0.5 51.56 ? 111 PG4 M O3 1 111 . A HETATM 579 O O3 B PG4 M 4 . ? 5.725 0.439 33.221 0.5 49.67 ? 111 PG4 M O3 1 111 . A HETATM 580 C C5 A PG4 M 4 . ? 5.012 -0.312 32.235 0.5 50.14 ? 111 PG4 M C5 1 111 . A HETATM 581 C C5 B PG4 M 4 . ? 5.527 0.668 31.827 0.5 50.67 ? 111 PG4 M C5 1 111 . A HETATM 582 C C6 A PG4 M 4 . ? 4.229 -0.111 30.938 0.5 47.29 ? 111 PG4 M C6 1 111 . A HETATM 583 C C6 B PG4 M 4 . ? 4.280 -0.062 31.317 0.5 50.32 ? 111 PG4 M C6 1 111 . A HETATM 584 O O4 A PG4 M 4 . ? 3.416 1.063 31.006 0.5 43.16 ? 111 PG4 M O4 1 111 . A HETATM 585 O O4 B PG4 M 4 . ? 3.122 0.779 31.331 0.5 48.74 ? 111 PG4 M O4 1 111 . A HETATM 586 C C7 A PG4 M 4 . ? 4.108 2.235 30.575 0.5 38.54 ? 111 PG4 M C7 1 111 . A HETATM 587 C C7 B PG4 M 4 . ? 2.931 1.548 30.139 0.5 45.58 ? 111 PG4 M C7 1 111 . A HETATM 588 C C8 A PG4 M 4 . ? 3.328 2.998 29.510 0.5 33.62 ? 111 PG4 M C8 1 111 . A HETATM 589 C C8 B PG4 M 4 . ? 2.889 3.035 30.489 0.5 40.93 ? 111 PG4 M C8 1 111 . A HETATM 590 O O5 A PG4 M 4 . ? 4.242 3.456 28.508 0.5 25.17 ? 111 PG4 M O5 1 111 . A HETATM 591 O O5 B PG4 M 4 . ? 1.669 3.330 31.173 0.5 38.73 ? 111 PG4 M O5 1 111 . A HETATM 592 O O1 . PG4 N 4 . ? 6.222 17.854 24.039 1.0 43.28 ? 112 PG4 N O1 1 112 . A HETATM 593 C C1 . PG4 N 4 . ? 7.478 17.266 24.413 1.0 46.62 ? 112 PG4 N C1 1 112 . A HETATM 594 C C2 . PG4 N 4 . ? 7.605 15.887 23.777 1.0 47.39 ? 112 PG4 N C2 1 112 . A HETATM 595 O O2 . PG4 N 4 . ? 7.782 15.987 22.368 1.0 50.35 ? 112 PG4 N O2 1 112 . A HETATM 596 C C3 . PG4 N 4 . ? 7.438 14.790 21.643 1.0 53.08 ? 112 PG4 N C3 1 112 . A HETATM 597 C C4 . PG4 N 4 . ? 7.200 15.107 20.159 1.0 55.56 ? 112 PG4 N C4 1 112 . A HETATM 598 O O3 . PG4 N 4 . ? 5.800 15.298 19.871 1.0 56.93 ? 112 PG4 N O3 1 112 . A HETATM 599 C C5 . PG4 N 4 . ? 5.536 16.209 18.791 1.0 53.93 ? 112 PG4 N C5 1 112 . A HETATM 600 C C6 . PG4 N 4 . ? 4.079 16.674 18.812 1.0 51.6 ? 112 PG4 N C6 1 112 . A HETATM 601 O O4 . PG4 N 4 . ? 3.887 17.844 19.614 1.0 49.17 ? 112 PG4 N O4 1 112 . A HETATM 602 C C7 . PG4 N 4 . ? 2.650 17.879 20.345 1.0 44.21 ? 112 PG4 N C7 1 112 . A HETATM 603 C C8 . PG4 N 4 . ? 2.632 18.987 21.412 1.0 41.9 ? 112 PG4 N C8 1 112 . A HETATM 604 O O5 . PG4 N 4 . ? 3.502 18.697 22.530 1.0 37.41 ? 112 PG4 N O5 1 112 . A HETATM 605 O O . HOH Y 6 . ? 5.657 17.423 21.577 1.0 46.91 ? 201 HOH Y O 1 201 . A HETATM 606 O O . HOH Y 6 . ? -6.247 12.843 59.124 1.0 46.82 ? 202 HOH Y O 1 202 . A HETATM 607 O O . HOH Y 6 . ? 8.781 2.340 40.491 1.0 38.8 ? 203 HOH Y O 1 203 . A HETATM 608 O O . HOH Y 6 . ? -9.242 13.075 11.682 1.0 57.51 ? 204 HOH Y O 1 204 . A HETATM 609 O O . HOH Y 6 . ? -7.126 5.774 10.694 1.0 38.6 ? 205 HOH Y O 1 205 . A HETATM 610 O O . HOH Y 6 . ? 6.830 11.179 54.153 1.0 46.73 ? 206 HOH Y O 1 206 . A HETATM 611 O O . HOH Y 6 . ? 3.436 12.747 12.670 1.0 48.33 ? 207 HOH Y O 1 207 . A #