data_1kba-assembly-1 # 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 . ARG A 1 1 ? 23.499 5.857 3.805 1.0 33.26 ? 1 ARG A N 1 1 . A ATOM 2 C CA . ARG A 1 1 ? 24.762 6.543 3.549 1.0 35.16 ? 1 ARG A CA 1 1 . A ATOM 3 C C . ARG A 1 1 ? 25.952 5.691 3.939 1.0 35.05 ? 1 ARG A C 1 1 . A ATOM 4 O O . ARG A 1 1 ? 25.859 4.478 3.961 1.0 38.18 ? 1 ARG A O 1 1 . A ATOM 5 C CB . ARG A 1 1 ? 24.763 7.837 4.386 1.0 38.85 ? 1 ARG A CB 1 1 . A ATOM 6 C CG . ARG A 1 1 ? 23.812 7.884 5.583 1.0 40.56 ? 1 ARG A CG 1 1 . A ATOM 7 C CD . ARG A 1 1 ? 24.056 9.175 6.320 1.0 42.72 ? 1 ARG A CD 1 1 . A ATOM 8 N NE . ARG A 1 1 ? 23.279 10.314 5.814 1.0 46.89 ? 1 ARG A NE 1 1 . A ATOM 9 C CZ . ARG A 1 1 ? 23.627 11.057 4.753 1.0 49.39 ? 1 ARG A CZ 1 1 . A ATOM 10 N NH1 . ARG A 1 1 ? 24.747 10.751 4.065 1.0 49.8 ? 1 ARG A NH1 1 1 . A ATOM 11 N NH2 . ARG A 1 1 ? 22.865 12.114 4.398 1.0 49.33 ? 1 ARG A NH2 1 1 . A ATOM 12 N N . THR A 1 2 ? 27.077 6.292 4.287 1.0 34.88 ? 2 THR A N 1 2 . A ATOM 13 C CA . THR A 1 2 ? 28.186 5.496 4.838 1.0 35.42 ? 2 THR A CA 1 2 . A ATOM 14 C C . THR A 1 2 ? 28.488 6.149 6.166 1.0 31.19 ? 2 THR A C 1 2 . A ATOM 15 O O . THR A 1 2 ? 28.305 7.347 6.339 1.0 29.4 ? 2 THR A O 1 2 . A ATOM 16 C CB . THR A 1 2 ? 29.490 5.539 4.064 1.0 39.11 ? 2 THR A CB 1 2 . A ATOM 17 O OG1 . THR A 1 2 ? 29.470 6.656 3.182 1.0 43.5 ? 2 THR A OG1 1 2 . A ATOM 18 C CG2 . THR A 1 2 ? 29.668 4.292 3.280 1.0 39.88 ? 2 THR A CG2 1 2 . A ATOM 19 N N . CYS A 1 3 ? 28.958 5.347 7.106 1.0 31.28 ? 3 CYS A N 1 3 . A ATOM 20 C CA . CYS A 1 3 ? 29.296 5.824 8.454 1.0 27.97 ? 3 CYS A CA 1 3 . A ATOM 21 C C . CYS A 1 3 ? 30.513 5.086 8.941 1.0 26.3 ? 3 CYS A C 1 3 . A ATOM 22 O O . CYS A 1 3 ? 30.875 3.994 8.418 1.0 22.94 ? 3 CYS A O 1 3 . A ATOM 23 C CB . CYS A 1 3 ? 28.196 5.391 9.337 1.0 27.05 ? 3 CYS A CB 1 3 . A ATOM 24 S SG . CYS A 1 3 ? 26.621 6.171 8.937 1.0 27.84 ? 3 CYS A SG 1 3 . A ATOM 25 N N . LEU A 1 4 ? 31.168 5.651 9.958 1.0 26.9 ? 4 LEU A N 1 4 . A ATOM 26 C CA . LEU A 1 4 ? 32.307 4.903 10.524 1.0 25.03 ? 4 LEU A CA 1 4 . A ATOM 27 C C . LEU A 1 4 ? 31.830 3.716 11.432 1.0 24.06 ? 4 LEU A C 1 4 . A ATOM 28 O O . LEU A 1 4 ? 30.705 3.720 11.929 1.0 21.5 ? 4 LEU A O 1 4 . A ATOM 29 C CB . LEU A 1 4 ? 33.268 5.863 11.181 1.0 25.9 ? 4 LEU A CB 1 4 . A ATOM 30 C CG . LEU A 1 4 ? 34.379 6.297 10.205 1.0 31.57 ? 4 LEU A CG 1 4 . A ATOM 31 C CD1 . LEU A 1 4 ? 35.406 5.202 9.716 1.0 31.19 ? 4 LEU A CD1 1 4 . A ATOM 32 C CD2 . LEU A 1 4 ? 33.828 6.977 8.940 1.0 33.19 ? 4 LEU A CD2 1 4 . A ATOM 33 N N . ILE A 1 5 ? 32.644 2.678 11.610 1.0 28.6 ? 5 ILE A N 1 5 . A ATOM 34 C CA . ILE A 1 5 ? 32.310 1.569 12.546 1.0 33.21 ? 5 ILE A CA 1 5 . A ATOM 35 C C . ILE A 1 5 ? 33.284 1.343 13.720 1.0 36.36 ? 5 ILE A C 1 5 . A ATOM 36 O O . ILE A 1 5 ? 34.489 1.259 13.547 1.0 35.93 ? 5 ILE A O 1 5 . A ATOM 37 C CB . ILE A 1 5 ? 31.962 0.187 11.979 1.0 31.13 ? 5 ILE A CB 1 5 . A ATOM 38 C CG1 . ILE A 1 5 ? 33.115 -0.455 11.240 1.0 33.46 ? 5 ILE A CG1 1 5 . A ATOM 39 C CG2 . ILE A 1 5 ? 30.609 0.175 11.468 1.0 30.07 ? 5 ILE A CG2 1 5 . A ATOM 40 C CD1 . ILE A 1 5 ? 33.150 -1.957 11.398 1.0 35.94 ? 5 ILE A CD1 1 5 . A ATOM 41 N N . SER A 1 6 ? 32.694 1.191 14.901 1.0 39.16 ? 6 SER A N 1 6 . A ATOM 42 C CA . SER A 1 6 ? 33.405 1.021 16.168 1.0 38.77 ? 6 SER A CA 1 6 . A ATOM 43 C C . SER A 1 6 ? 34.886 0.842 16.233 1.0 40.15 ? 6 SER A C 1 6 . A ATOM 44 O O . SER A 1 6 ? 35.622 1.804 16.014 1.0 42.86 ? 6 SER A O 1 6 . A ATOM 45 C CB . SER A 1 6 ? 32.681 0.226 17.298 1.0 36.98 ? 6 SER A CB 1 6 . A ATOM 46 O OG . SER A 1 6 ? 31.262 0.230 17.252 1.0 35.88 ? 6 SER A OG 1 6 . A ATOM 47 N N . PRO A 1 7 ? 35.267 -0.397 16.557 1.0 39.41 ? 7 PRO A N 1 7 . A ATOM 48 C CA . PRO A 1 7 ? 36.594 -0.810 16.923 1.0 36.66 ? 7 PRO A CA 1 7 . A ATOM 49 C C . PRO A 1 7 ? 37.535 -0.135 16.072 1.0 37.33 ? 7 PRO A C 1 7 . A ATOM 50 O O . PRO A 1 7 ? 38.200 0.778 16.553 1.0 40.9 ? 7 PRO A O 1 7 . A ATOM 51 C CB . PRO A 1 7 ? 36.603 -2.293 16.695 1.0 35.46 ? 7 PRO A CB 1 7 . A ATOM 52 C CG . PRO A 1 7 ? 35.135 -2.671 16.479 1.0 37.38 ? 7 PRO A CG 1 7 . A ATOM 53 C CD . PRO A 1 7 ? 34.609 -1.456 15.775 1.0 38.92 ? 7 PRO A CD 1 7 . A ATOM 54 N N . SER A 1 8 ? 37.476 -0.450 14.795 1.0 35.58 ? 8 SER A N 1 8 . A ATOM 55 C CA . SER A 1 8 ? 38.421 0.078 13.804 1.0 33.57 ? 8 SER A CA 1 8 . A ATOM 56 C C . SER A 1 8 ? 38.095 1.380 13.230 1.0 29.88 ? 8 SER A C 1 8 . A ATOM 57 O O . SER A 1 8 ? 38.876 1.894 12.475 1.0 25.94 ? 8 SER A O 1 8 . A ATOM 58 C CB . SER A 1 8 ? 38.338 -0.808 12.596 1.0 34.49 ? 8 SER A CB 1 8 . A ATOM 59 O OG . SER A 1 8 ? 36.981 -0.740 12.197 1.0 36.91 ? 8 SER A OG 1 8 . A ATOM 60 N N . SER A 1 9 ? 36.886 1.838 13.472 1.0 34.32 ? 9 SER A N 1 9 . A ATOM 61 C CA . SER A 1 9 ? 36.446 3.100 12.878 1.0 37.33 ? 9 SER A CA 1 9 . A ATOM 62 C C . SER A 1 9 ? 36.717 3.134 11.367 1.0 37.82 ? 9 SER A C 1 9 . A ATOM 63 O O . SER A 1 9 ? 37.576 3.915 10.963 1.0 37.26 ? 9 SER A O 1 9 . A ATOM 64 C CB . SER A 1 9 ? 37.204 4.260 13.545 1.0 37.33 ? 9 SER A CB 1 9 . A ATOM 65 O OG . SER A 1 9 ? 36.496 4.685 14.686 1.0 36.81 ? 9 SER A OG 1 9 . A ATOM 66 N N . THR A 1 10 ? 36.081 2.274 10.548 1.0 37.71 ? 10 THR A N 1 10 . A ATOM 67 C CA . THR A 1 10 ? 36.316 2.293 9.075 1.0 34.08 ? 10 THR A CA 1 10 . A ATOM 68 C C . THR A 1 10 ? 34.981 2.511 8.405 1.0 33.96 ? 10 THR A C 1 10 . A ATOM 69 O O . THR A 1 10 ? 33.969 2.666 9.069 1.0 36.46 ? 10 THR A O 1 10 . A ATOM 70 C CB . THR A 1 10 ? 36.762 0.975 8.537 1.0 30.11 ? 10 THR A CB 1 10 . A ATOM 71 O OG1 . THR A 1 10 ? 35.608 0.149 8.548 1.0 35.16 ? 10 THR A OG1 1 10 . A ATOM 72 C CG2 . THR A 1 10 ? 37.724 0.337 9.368 1.0 25.16 ? 10 THR A CG2 1 10 . A ATOM 73 N N . PRO A 1 11 ? 34.916 2.499 7.085 1.0 32.01 ? 11 PRO A N 1 11 . A ATOM 74 C CA . PRO A 1 11 ? 33.612 2.759 6.518 1.0 30.04 ? 11 PRO A CA 1 11 . A ATOM 75 C C . PRO A 1 11 ? 32.740 1.530 6.206 1.0 28.77 ? 11 PRO A C 1 11 . A ATOM 76 O O . PRO A 1 11 ? 33.222 0.427 5.853 1.0 27.14 ? 11 PRO A O 1 11 . A ATOM 77 C CB . PRO A 1 11 ? 33.930 3.585 5.273 1.0 30.75 ? 11 PRO A CB 1 11 . A ATOM 78 C CG . PRO A 1 11 ? 35.235 4.124 5.491 1.0 31.57 ? 11 PRO A CG 1 11 . A ATOM 79 C CD . PRO A 1 11 ? 35.983 3.047 6.248 1.0 31.51 ? 11 PRO A CD 1 11 . A ATOM 80 N N . GLN A 1 12 ? 31.434 1.721 6.353 1.0 27.47 ? 12 GLN A N 1 12 . A ATOM 81 C CA . GLN A 1 12 ? 30.529 0.646 6.042 1.0 28.63 ? 12 GLN A CA 1 12 . A ATOM 82 C C . GLN A 1 12 ? 29.341 1.400 5.580 1.0 32.0 ? 12 GLN A C 1 12 . A ATOM 83 O O . GLN A 1 12 ? 29.144 2.557 6.001 1.0 33.33 ? 12 GLN A O 1 12 . A ATOM 84 C CB . GLN A 1 12 ? 30.127 -0.208 7.238 1.0 29.35 ? 12 GLN A CB 1 12 . A ATOM 85 C CG . GLN A 1 12 ? 28.767 0.198 7.818 1.0 29.39 ? 12 GLN A CG 1 12 . A ATOM 86 C CD . GLN A 1 12 ? 28.102 -0.858 8.678 1.0 30.23 ? 12 GLN A CD 1 12 . A ATOM 87 O OE1 . GLN A 1 12 ? 27.016 -0.587 9.187 1.0 33.72 ? 12 GLN A OE1 1 12 . A ATOM 88 N NE2 . GLN A 1 12 ? 28.698 -2.051 8.807 1.0 26.9 ? 12 GLN A NE2 1 12 . A ATOM 89 N N . THR A 1 13 ? 28.605 0.731 4.692 1.0 33.8 ? 13 THR A N 1 13 . A ATOM 90 C CA . THR A 1 13 ? 27.456 1.238 3.974 1.0 33.97 ? 13 THR A CA 1 13 . A ATOM 91 C C . THR A 1 13 ? 26.141 0.827 4.612 1.0 35.11 ? 13 THR A C 1 13 . A ATOM 92 O O . THR A 1 13 ? 25.811 -0.381 4.675 1.0 34.32 ? 13 THR A O 1 13 . A ATOM 93 C CB . THR A 1 13 ? 27.518 0.577 2.592 1.0 34.35 ? 13 THR A CB 1 13 . A ATOM 94 O OG1 . THR A 1 13 ? 28.859 0.638 2.115 1.0 33.3 ? 13 THR A OG1 1 13 . A ATOM 95 C CG2 . THR A 1 13 ? 26.566 1.267 1.611 1.0 33.31 ? 13 THR A CG2 1 13 . A ATOM 96 N N . CYS A 1 14 ? 25.397 1.827 5.071 1.0 37.22 ? 14 CYS A N 1 14 . A ATOM 97 C CA . CYS A 1 14 ? 24.127 1.584 5.730 1.0 42.45 ? 14 CYS A CA 1 14 . A ATOM 98 C C . CYS A 1 14 ? 23.108 0.879 4.838 1.0 47.61 ? 14 CYS A C 1 14 . A ATOM 99 O O . CYS A 1 14 ? 23.267 0.791 3.620 1.0 49.29 ? 14 CYS A O 1 14 . A ATOM 100 C CB . CYS A 1 14 ? 23.541 2.910 6.223 1.0 43.25 ? 14 CYS A CB 1 14 . A ATOM 101 S SG . CYS A 1 14 ? 24.690 3.887 7.241 1.0 46.92 ? 14 CYS A SG 1 14 . A ATOM 102 N N . PRO A 1 15 ? 22.043 0.386 5.434 1.0 50.77 ? 15 PRO A N 1 15 . A ATOM 103 C CA . PRO A 1 15 ? 20.986 -0.230 4.651 1.0 53.91 ? 15 PRO A CA 1 15 . A ATOM 104 C C . PRO A 1 15 ? 19.831 0.793 4.596 1.0 56.51 ? 15 PRO A C 1 15 . A ATOM 105 O O . PRO A 1 15 ? 19.989 1.916 5.088 1.0 57.31 ? 15 PRO A O 1 15 . A ATOM 106 C CB . PRO A 1 15 ? 20.741 -1.549 5.415 1.0 53.68 ? 15 PRO A CB 1 15 . A ATOM 107 C CG . PRO A 1 15 ? 22.243 -1.954 5.917 1.0 51.99 ? 15 PRO A CG 1 15 . A ATOM 108 C CD . PRO A 1 15 ? 23.043 -0.622 5.869 1.0 51.13 ? 15 PRO A CD 1 15 . A ATOM 109 N N . ASN A 1 16 ? 18.724 0.494 3.922 1.0 58.64 ? 16 ASN A N 1 16 . A ATOM 110 C CA . ASN A 1 16 ? 17.665 1.508 3.825 1.0 61.9 ? 16 ASN A CA 1 16 . A ATOM 111 C C . ASN A 1 16 ? 17.209 1.755 5.219 1.0 62.5 ? 16 ASN A C 1 16 . A ATOM 112 O O . ASN A 1 16 ? 17.053 0.794 5.975 1.0 64.81 ? 16 ASN A O 1 16 . A ATOM 113 C CB . ASN A 1 16 ? 16.449 1.008 2.990 1.0 66.15 ? 16 ASN A CB 1 16 . A ATOM 114 C CG . ASN A 1 16 ? 15.230 0.480 3.867 1.0 69.06 ? 16 ASN A CG 1 16 . A ATOM 115 O OD1 . ASN A 1 16 ? 14.059 0.882 3.653 1.0 68.72 ? 16 ASN A OD1 1 16 . A ATOM 116 N ND2 . ASN A 1 16 ? 15.511 -0.464 4.799 1.0 70.32 ? 16 ASN A ND2 1 16 . A ATOM 117 N N . GLY A 1 17 ? 16.964 2.999 5.588 1.0 60.85 ? 17 GLY A N 1 17 . A ATOM 118 C CA . GLY A 1 17 ? 16.457 3.189 6.940 1.0 59.85 ? 17 GLY A CA 1 17 . A ATOM 119 C C . GLY A 1 17 ? 17.526 3.745 7.862 1.0 59.35 ? 17 GLY A C 1 17 . A ATOM 120 O O . GLY A 1 17 ? 17.222 4.574 8.763 1.0 60.92 ? 17 GLY A O 1 17 . A ATOM 121 N N . GLN A 1 18 ? 18.768 3.300 7.626 1.0 54.68 ? 18 GLN A N 1 18 . A ATOM 122 C CA . GLN A 1 18 ? 19.912 3.759 8.397 1.0 49.07 ? 18 GLN A CA 1 18 . A ATOM 123 C C . GLN A 1 18 ? 20.495 4.911 7.578 1.0 47.8 ? 18 GLN A C 1 18 . A ATOM 124 O O . GLN A 1 18 ? 21.419 4.753 6.751 1.0 47.3 ? 18 GLN A O 1 18 . A ATOM 125 C CB . GLN A 1 18 ? 20.866 2.607 8.640 1.0 47.09 ? 18 GLN A CB 1 18 . A ATOM 126 C CG . GLN A 1 18 ? 20.156 1.335 9.225 1.0 46.09 ? 18 GLN A CG 1 18 . A ATOM 127 C CD . GLN A 1 18 ? 21.125 0.254 9.730 1.0 46.53 ? 18 GLN A CD 1 18 . A ATOM 128 O OE1 . GLN A 1 18 ? 21.745 -0.495 8.949 1.0 48.08 ? 18 GLN A OE1 1 18 . A ATOM 129 N NE2 . GLN A 1 18 ? 21.254 0.162 11.045 1.0 46.26 ? 18 GLN A NE2 1 18 . A ATOM 130 N N . ASP A 1 19 ? 19.836 6.056 7.788 1.0 47.6 ? 19 ASP A N 1 19 . A ATOM 131 C CA . ASP A 1 19 ? 20.107 7.343 7.150 1.0 49.39 ? 19 ASP A CA 1 19 . A ATOM 132 C C . ASP A 1 19 ? 21.031 8.222 7.992 1.0 46.39 ? 19 ASP A C 1 19 . A ATOM 133 O O . ASP A 1 19 ? 21.554 9.253 7.495 1.0 45.43 ? 19 ASP A O 1 19 . A ATOM 134 C CB . ASP A 1 19 ? 18.799 8.113 6.811 1.0 54.58 ? 19 ASP A CB 1 19 . A ATOM 135 C CG . ASP A 1 19 ? 17.799 8.258 8.009 1.0 60.55 ? 19 ASP A CG 1 19 . A ATOM 136 O OD1 . ASP A 1 19 ? 17.137 7.258 8.400 1.0 61.98 ? 19 ASP A OD1 1 19 . A ATOM 137 O OD2 . ASP A 1 19 ? 17.604 9.400 8.525 1.0 63.59 ? 19 ASP A OD2 1 19 . A ATOM 138 N N . ILE A 1 20 ? 21.211 7.799 9.256 1.0 40.82 ? 20 ILE A N 1 20 . A ATOM 139 C CA . ILE A 1 20 ? 21.997 8.515 10.260 1.0 34.86 ? 20 ILE A CA 1 20 . A ATOM 140 C C . ILE A 1 20 ? 23.200 7.779 10.881 1.0 31.88 ? 20 ILE A C 1 20 . A ATOM 141 O O . ILE A 1 20 ? 23.083 6.610 11.249 1.0 31.6 ? 20 ILE A O 1 20 . A ATOM 142 C CB . ILE A 1 20 ? 21.073 8.869 11.425 1.0 33.62 ? 20 ILE A CB 1 20 . A ATOM 143 C CG1 . ILE A 1 20 ? 19.823 9.607 10.950 1.0 32.73 ? 20 ILE A CG1 1 20 . A ATOM 144 C CG2 . ILE A 1 20 ? 21.822 9.605 12.509 1.0 34.14 ? 20 ILE A CG2 1 20 . A ATOM 145 C CD1 . ILE A 1 20 ? 18.674 9.509 11.952 1.0 31.33 ? 20 ILE A CD1 1 20 . A ATOM 146 N N . CYS A 1 21 ? 24.332 8.465 11.037 1.0 29.77 ? 21 CYS A N 1 21 . A ATOM 147 C CA . CYS A 1 21 ? 25.490 7.869 11.699 1.0 30.43 ? 21 CYS A CA 1 21 . A ATOM 148 C C . CYS A 1 21 ? 25.605 8.271 13.204 1.0 29.65 ? 21 CYS A C 1 21 . A ATOM 149 O O . CYS A 1 21 ? 25.195 9.364 13.602 1.0 27.36 ? 21 CYS A O 1 21 . A ATOM 150 C CB . CYS A 1 21 ? 26.769 8.385 11.087 1.0 30.73 ? 21 CYS A CB 1 21 . A ATOM 151 S SG . CYS A 1 21 ? 27.046 8.113 9.334 1.0 29.63 ? 21 CYS A SG 1 21 . A ATOM 152 N N . PHE A 1 22 ? 26.220 7.435 14.025 1.0 28.89 ? 22 PHE A N 1 22 . A ATOM 153 C CA . PHE A 1 22 ? 26.387 7.894 15.390 1.0 28.7 ? 22 PHE A CA 1 22 . A ATOM 154 C C . PHE A 1 22 ? 27.690 7.495 16.026 1.0 27.23 ? 22 PHE A C 1 22 . A ATOM 155 O O . PHE A 1 22 ? 28.414 6.578 15.596 1.0 25.46 ? 22 PHE A O 1 22 . A ATOM 156 C CB . PHE A 1 22 ? 25.265 7.488 16.314 1.0 29.45 ? 22 PHE A CB 1 22 . A ATOM 157 C CG . PHE A 1 22 ? 25.267 6.035 16.610 1.0 31.37 ? 22 PHE A CG 1 22 . A ATOM 158 C CD1 . PHE A 1 22 ? 26.086 5.519 17.578 1.0 32.06 ? 22 PHE A CD1 1 22 . A ATOM 159 C CD2 . PHE A 1 22 ? 24.469 5.178 15.881 1.0 34.92 ? 22 PHE A CD2 1 22 . A ATOM 160 C CE1 . PHE A 1 22 ? 26.115 4.187 17.879 1.0 33.28 ? 22 PHE A CE1 1 22 . A ATOM 161 C CE2 . PHE A 1 22 ? 24.468 3.824 16.164 1.0 36.55 ? 22 PHE A CE2 1 22 . A ATOM 162 C CZ . PHE A 1 22 ? 25.298 3.341 17.179 1.0 35.59 ? 22 PHE A CZ 1 22 . A ATOM 163 N N . LEU A 1 23 ? 27.983 8.224 17.088 1.0 25.77 ? 23 LEU A N 1 23 . A ATOM 164 C CA . LEU A 1 23 ? 29.155 7.939 17.894 1.0 25.1 ? 23 LEU A CA 1 23 . A ATOM 165 C C . LEU A 1 23 ? 28.670 7.963 19.345 1.0 27.93 ? 23 LEU A C 1 23 . A ATOM 166 O O . LEU A 1 23 ? 28.071 8.931 19.843 1.0 27.96 ? 23 LEU A O 1 23 . A ATOM 167 C CB . LEU A 1 23 ? 30.249 8.911 17.607 1.0 21.46 ? 23 LEU A CB 1 23 . A ATOM 168 C CG . LEU A 1 23 ? 31.453 8.758 18.501 1.0 20.09 ? 23 LEU A CG 1 23 . A ATOM 169 C CD1 . LEU A 1 23 ? 32.290 7.567 18.131 1.0 18.92 ? 23 LEU A CD1 1 23 . A ATOM 170 C CD2 . LEU A 1 23 ? 32.219 9.917 18.054 1.0 20.77 ? 23 LEU A CD2 1 23 . A ATOM 171 N N . LYS A 1 24 ? 28.774 6.837 20.001 1.0 30.18 ? 24 LYS A N 1 24 . A ATOM 172 C CA . LYS A 1 24 ? 28.240 6.872 21.335 1.0 34.09 ? 24 LYS A CA 1 24 . A ATOM 173 C C . LYS A 1 24 ? 29.228 6.383 22.334 1.0 34.53 ? 24 LYS A C 1 24 . A ATOM 174 O O . LYS A 1 24 ? 29.711 5.237 22.235 1.0 32.85 ? 24 LYS A O 1 24 . A ATOM 175 C CB . LYS A 1 24 ? 27.004 6.015 21.446 1.0 34.92 ? 24 LYS A CB 1 24 . A ATOM 176 C CG . LYS A 1 24 ? 26.694 5.623 22.888 1.0 36.52 ? 24 LYS A CG 1 24 . A ATOM 177 C CD . LYS A 1 24 ? 25.349 4.846 22.923 1.0 37.71 ? 24 LYS A CD 1 24 . A ATOM 178 C CE . LYS A 1 24 ? 25.564 3.387 22.465 1.0 38.8 ? 24 LYS A CE 1 24 . A ATOM 179 N NZ . LYS A 1 24 ? 24.271 2.637 22.220 1.0 39.26 ? 24 LYS A NZ 1 24 . A ATOM 180 N N . ALA A 1 25 ? 29.476 7.240 23.318 1.0 35.39 ? 25 ALA A N 1 25 . A ATOM 181 C CA . ALA A 1 25 ? 30.426 6.896 24.385 1.0 36.81 ? 25 ALA A CA 1 25 . A ATOM 182 C C . ALA A 1 25 ? 29.731 6.513 25.677 1.0 41.45 ? 25 ALA A C 1 25 . A ATOM 183 O O . ALA A 1 25 ? 29.227 7.376 26.414 1.0 43.82 ? 25 ALA A O 1 25 . A ATOM 184 C CB . ALA A 1 25 ? 31.340 8.023 24.617 1.0 33.9 ? 25 ALA A CB 1 25 . A ATOM 185 N N . GLN A 1 26 ? 29.665 5.240 26.003 1.0 43.2 ? 26 GLN A N 1 26 . A ATOM 186 C CA . GLN A 1 26 ? 29.013 5.045 27.272 1.0 48.14 ? 26 GLN A CA 1 26 . A ATOM 187 C C . GLN A 1 26 ? 29.825 4.456 28.430 1.0 47.01 ? 26 GLN A C 1 26 . A ATOM 188 O O . GLN A 1 26 ? 30.834 3.753 28.209 1.0 46.42 ? 26 GLN A O 1 26 . A ATOM 189 C CB . GLN A 1 26 ? 27.704 4.359 27.097 1.0 52.9 ? 26 GLN A CB 1 26 . A ATOM 190 C CG . GLN A 1 26 ? 27.809 2.930 27.442 1.0 56.87 ? 26 GLN A CG 1 26 . A ATOM 191 C CD . GLN A 1 26 ? 26.561 2.267 27.009 1.0 61.2 ? 26 GLN A CD 1 26 . A ATOM 192 O OE1 . GLN A 1 26 ? 26.090 1.325 27.658 1.0 63.35 ? 26 GLN A OE1 1 26 . A ATOM 193 N NE2 . GLN A 1 26 ? 25.957 2.791 25.921 1.0 62.33 ? 26 GLN A NE2 1 26 . A ATOM 194 N N . CYS A 1 27 ? 29.371 4.760 29.656 1.0 45.9 ? 27 CYS A N 1 27 . A ATOM 195 C CA . CYS A 1 27 ? 30.045 4.309 30.909 1.0 43.28 ? 27 CYS A CA 1 27 . A ATOM 196 C C . CYS A 1 27 ? 29.542 3.056 31.645 1.0 41.17 ? 27 CYS A C 1 27 . A ATOM 197 O O . CYS A 1 27 ? 28.368 2.953 31.985 1.0 38.43 ? 27 CYS A O 1 27 . A ATOM 198 C CB . CYS A 1 27 ? 30.019 5.412 31.940 1.0 40.81 ? 27 CYS A CB 1 27 . A ATOM 199 S SG . CYS A 1 27 ? 31.086 6.806 31.565 1.0 39.95 ? 27 CYS A SG 1 27 . A ATOM 200 N N . ASP A 1 28 ? 30.485 2.157 31.947 1.0 42.44 ? 28 ASP A N 1 28 . A ATOM 201 C CA . ASP A 1 28 ? 30.247 0.945 32.729 1.0 41.65 ? 28 ASP A CA 1 28 . A ATOM 202 C C . ASP A 1 28 ? 30.583 1.418 34.155 1.0 44.82 ? 28 ASP A C 1 28 . A ATOM 203 O O . ASP A 1 28 ? 31.013 2.571 34.360 1.0 45.42 ? 28 ASP A O 1 28 . A ATOM 204 C CB . ASP A 1 28 ? 31.262 -0.136 32.330 1.0 38.36 ? 28 ASP A CB 1 28 . A ATOM 205 C CG . ASP A 1 28 ? 32.633 0.445 32.045 1.0 38.54 ? 28 ASP A CG 1 28 . A ATOM 206 O OD1 . ASP A 1 28 ? 32.725 1.685 31.989 1.0 37.66 ? 28 ASP A OD1 1 28 . A ATOM 207 O OD2 . ASP A 1 28 ? 33.625 -0.296 31.801 1.0 39.76 ? 28 ASP A OD2 1 28 . A ATOM 208 N N . LYS A 1 29 ? 30.425 0.514 35.125 1.0 46.42 ? 29 LYS A N 1 29 . A ATOM 209 C CA . LYS A 1 29 ? 30.746 0.737 36.542 1.0 46.53 ? 29 LYS A CA 1 29 . A ATOM 210 C C . LYS A 1 29 ? 32.241 1.140 36.614 1.0 46.32 ? 29 LYS A C 1 29 . A ATOM 211 O O . LYS A 1 29 ? 32.758 1.616 37.658 1.0 48.26 ? 29 LYS A O 1 29 . A ATOM 212 C CB . LYS A 1 29 ? 30.451 -0.563 37.344 1.0 46.49 ? 29 LYS A CB 1 29 . A ATOM 213 C CG . LYS A 1 29 ? 31.283 -0.819 38.635 1.0 47.19 ? 29 LYS A CG 1 29 . A ATOM 214 C CD . LYS A 1 29 ? 30.964 -2.138 39.429 1.0 46.22 ? 29 LYS A CD 1 29 . A ATOM 215 C CE . LYS A 1 29 ? 29.595 -2.678 39.078 1.0 46.42 ? 29 LYS A CE 1 29 . A ATOM 216 N NZ . LYS A 1 29 ? 28.906 -3.393 40.152 1.0 46.95 ? 29 LYS A NZ 1 29 . A ATOM 217 N N . PHE A 1 30 ? 32.972 0.930 35.518 1.0 41.84 ? 30 PHE A N 1 30 . A ATOM 218 C CA . PHE A 1 30 ? 34.373 1.273 35.558 1.0 38.74 ? 30 PHE A CA 1 30 . A ATOM 219 C C . PHE A 1 30 ? 34.734 2.363 34.593 1.0 36.8 ? 30 PHE A C 1 30 . A ATOM 220 O O . PHE A 1 30 ? 35.824 2.341 34.051 1.0 37.01 ? 30 PHE A O 1 30 . A ATOM 221 C CB . PHE A 1 30 ? 35.185 0.055 35.235 1.0 39.67 ? 30 PHE A CB 1 30 . A ATOM 222 C CG . PHE A 1 30 ? 35.028 -1.043 36.222 1.0 41.36 ? 30 PHE A CG 1 30 . A ATOM 223 C CD1 . PHE A 1 30 ? 33.862 -1.274 36.890 1.0 41.47 ? 30 PHE A CD1 1 30 . A ATOM 224 C CD2 . PHE A 1 30 ? 36.063 -1.859 36.479 1.0 43.92 ? 30 PHE A CD2 1 30 . A ATOM 225 C CE1 . PHE A 1 30 ? 33.733 -2.262 37.779 1.0 42.07 ? 30 PHE A CE1 1 30 . A ATOM 226 C CE2 . PHE A 1 30 ? 35.934 -2.888 37.375 1.0 44.11 ? 30 PHE A CE2 1 30 . A ATOM 227 C CZ . PHE A 1 30 ? 34.751 -3.080 38.016 1.0 43.11 ? 30 PHE A CZ 1 30 . A ATOM 228 N N . CYS A 1 31 ? 33.818 3.289 34.348 1.0 36.49 ? 31 CYS A N 1 31 . A ATOM 229 C CA . CYS A 1 31 ? 34.117 4.345 33.396 1.0 38.66 ? 31 CYS A CA 1 31 . A ATOM 230 C C . CYS A 1 31 ? 35.370 5.035 33.789 1.0 40.73 ? 31 CYS A C 1 31 . A ATOM 231 O O . CYS A 1 31 ? 36.304 5.045 33.006 1.0 42.36 ? 31 CYS A O 1 31 . A ATOM 232 C CB . CYS A 1 31 ? 33.004 5.357 33.298 1.0 39.72 ? 31 CYS A CB 1 31 . A ATOM 233 S SG . CYS A 1 31 ? 32.993 6.145 31.687 1.0 40.74 ? 31 CYS A SG 1 31 . A ATOM 234 N N . SER A 1 32 ? 35.429 5.506 35.037 1.0 42.26 ? 32 SER A N 1 32 . A ATOM 235 C CA . SER A 1 32 ? 36.669 6.149 35.556 1.0 41.59 ? 32 SER A CA 1 32 . A ATOM 236 C C . SER A 1 32 ? 38.062 5.485 35.377 1.0 36.06 ? 32 SER A C 1 32 . A ATOM 237 O O . SER A 1 32 ? 39.048 6.176 35.353 1.0 37.61 ? 32 SER A O 1 32 . A ATOM 238 C CB . SER A 1 32 ? 36.500 6.987 36.865 1.0 42.09 ? 32 SER A CB 1 32 . A ATOM 239 O OG . SER A 1 32 ? 36.134 6.168 37.973 1.0 41.18 ? 32 SER A OG 1 32 . A ATOM 240 N N . ILE A 1 33 ? 38.201 4.187 35.221 1.0 30.34 ? 33 ILE A N 1 33 . A ATOM 241 C CA . ILE A 1 33 ? 39.582 3.729 35.034 1.0 31.26 ? 33 ILE A CA 1 33 . A ATOM 242 C C . ILE A 1 33 ? 39.892 3.162 33.625 1.0 28.5 ? 33 ILE A C 1 33 . A ATOM 243 O O . ILE A 1 33 ? 41.042 3.186 33.153 1.0 23.42 ? 33 ILE A O 1 33 . A ATOM 244 C CB . ILE A 1 33 ? 39.943 2.594 36.044 1.0 32.57 ? 33 ILE A CB 1 33 . A ATOM 245 C CG1 . ILE A 1 33 ? 39.525 2.907 37.487 1.0 29.33 ? 33 ILE A CG1 1 33 . A ATOM 246 C CG2 . ILE A 1 33 ? 41.284 1.913 35.712 1.0 32.21 ? 33 ILE A CG2 1 33 . A ATOM 247 C CD1 . ILE A 1 33 ? 38.237 2.256 37.745 1.0 27.98 ? 33 ILE A CD1 1 33 . A ATOM 248 N N . ARG A 1 34 ? 38.838 2.562 33.062 1.0 28.95 ? 34 ARG A N 1 34 . A ATOM 249 C CA . ARG A 1 34 ? 38.817 1.929 31.752 1.0 28.21 ? 34 ARG A CA 1 34 . A ATOM 250 C C . ARG A 1 34 ? 38.573 3.062 30.792 1.0 28.16 ? 34 ARG A C 1 34 . A ATOM 251 O O . ARG A 1 34 ? 39.459 3.408 30.021 1.0 31.43 ? 34 ARG A O 1 34 . A ATOM 252 C CB . ARG A 1 34 ? 37.663 0.963 31.671 1.0 28.19 ? 34 ARG A CB 1 34 . A ATOM 253 C CG . ARG A 1 34 ? 38.098 -0.372 32.145 1.0 29.87 ? 34 ARG A CG 1 34 . A ATOM 254 C CD . ARG A 1 34 ? 36.920 -1.088 32.670 1.0 34.58 ? 34 ARG A CD 1 34 . A ATOM 255 N NE . ARG A 1 34 ? 37.061 -2.488 32.263 1.0 40.83 ? 34 ARG A NE 1 34 . A ATOM 256 C CZ . ARG A 1 34 ? 36.296 -3.096 31.343 1.0 43.87 ? 34 ARG A CZ 1 34 . A ATOM 257 N NH1 . ARG A 1 34 ? 35.283 -2.439 30.735 1.0 43.84 ? 34 ARG A NH1 1 34 . A ATOM 258 N NH2 . ARG A 1 34 ? 36.542 -4.377 31.060 1.0 45.15 ? 34 ARG A NH2 1 34 . A ATOM 259 N N . GLY A 1 35 ? 37.423 3.686 30.925 1.0 23.98 ? 35 GLY A N 1 35 . A ATOM 260 C CA . GLY A 1 35 ? 37.045 4.771 30.076 1.0 20.63 ? 35 GLY A CA 1 35 . A ATOM 261 C C . GLY A 1 35 ? 35.741 4.293 29.596 1.0 20.97 ? 35 GLY A C 1 35 . A ATOM 262 O O . GLY A 1 35 ? 35.314 3.169 29.857 1.0 21.69 ? 35 GLY A O 1 35 . A ATOM 263 N N . PRO A 1 36 ? 35.099 5.161 28.877 1.0 23.25 ? 36 PRO A N 1 36 . A ATOM 264 C CA . PRO A 1 36 ? 33.823 4.896 28.268 1.0 25.32 ? 36 PRO A CA 1 36 . A ATOM 265 C C . PRO A 1 36 ? 34.014 3.893 27.165 1.0 27.91 ? 36 PRO A C 1 36 . A ATOM 266 O O . PRO A 1 36 ? 35.115 3.664 26.654 1.0 26.51 ? 36 PRO A O 1 36 . A ATOM 267 C CB . PRO A 1 36 ? 33.498 6.222 27.616 1.0 23.9 ? 36 PRO A CB 1 36 . A ATOM 268 C CG . PRO A 1 36 ? 34.835 6.820 27.342 1.0 22.81 ? 36 PRO A CG 1 36 . A ATOM 269 C CD . PRO A 1 36 ? 35.925 5.955 27.988 1.0 23.38 ? 36 PRO A CD 1 36 . A ATOM 270 N N . VAL A 1 37 ? 32.892 3.261 26.875 1.0 33.14 ? 37 VAL A N 1 37 . A ATOM 271 C CA . VAL A 1 37 ? 32.721 2.261 25.822 1.0 35.3 ? 37 VAL A CA 1 37 . A ATOM 272 C C . VAL A 1 37 ? 32.070 2.947 24.599 1.0 35.46 ? 37 VAL A C 1 37 . A ATOM 273 O O . VAL A 1 37 ? 30.887 3.378 24.622 1.0 34.13 ? 37 VAL A O 1 37 . A ATOM 274 C CB . VAL A 1 37 ? 31.787 1.183 26.307 1.0 35.48 ? 37 VAL A CB 1 37 . A ATOM 275 C CG1 . VAL A 1 37 ? 31.180 0.477 25.147 1.0 35.34 ? 37 VAL A CG1 1 37 . A ATOM 276 C CG2 . VAL A 1 37 ? 32.577 0.263 27.101 1.0 36.78 ? 37 VAL A CG2 1 37 . A ATOM 277 N N . ILE A 1 38 ? 32.898 3.062 23.562 1.0 36.47 ? 38 ILE A N 1 38 . A ATOM 278 C CA . ILE A 1 38 ? 32.540 3.686 22.294 1.0 35.22 ? 38 ILE A CA 1 38 . A ATOM 279 C C . ILE A 1 38 ? 31.888 2.723 21.317 1.0 32.58 ? 38 ILE A C 1 38 . A ATOM 280 O O . ILE A 1 38 ? 32.132 1.527 21.303 1.0 32.75 ? 38 ILE A O 1 38 . A ATOM 281 C CB . ILE A 1 38 ? 33.758 4.307 21.653 1.0 34.61 ? 38 ILE A CB 1 38 . A ATOM 282 C CG1 . ILE A 1 38 ? 34.116 5.596 22.414 1.0 33.41 ? 38 ILE A CG1 1 38 . A ATOM 283 C CG2 . ILE A 1 38 ? 33.536 4.460 20.184 1.0 34.08 ? 38 ILE A CG2 1 38 . A ATOM 284 C CD1 . ILE A 1 38 ? 34.926 5.320 23.603 1.0 32.32 ? 38 ILE A CD1 1 38 . A ATOM 285 N N . GLU A 1 39 ? 30.967 3.264 20.564 1.0 30.43 ? 39 GLU A N 1 39 . A ATOM 286 C CA . GLU A 1 39 ? 30.251 2.513 19.583 1.0 28.97 ? 39 GLU A CA 1 39 . A ATOM 287 C C . GLU A 1 39 ? 29.712 3.407 18.454 1.0 25.44 ? 39 GLU A C 1 39 . A ATOM 288 O O . GLU A 1 39 ? 28.854 4.250 18.640 1.0 22.64 ? 39 GLU A O 1 39 . A ATOM 289 C CB . GLU A 1 39 ? 29.151 1.763 20.254 1.0 33.85 ? 39 GLU A CB 1 39 . A ATOM 290 C CG . GLU A 1 39 ? 27.941 1.684 19.381 1.0 39.21 ? 39 GLU A CG 1 39 . A ATOM 291 C CD . GLU A 1 39 ? 26.944 0.679 19.951 1.0 45.37 ? 39 GLU A CD 1 39 . A ATOM 292 O OE1 . GLU A 1 39 ? 26.716 0.675 21.194 1.0 47.9 ? 39 GLU A OE1 1 39 . A ATOM 293 O OE2 . GLU A 1 39 ? 26.371 -0.115 19.170 1.0 47.92 ? 39 GLU A OE2 1 39 . A ATOM 294 N N . GLN A 1 40 ? 30.259 3.233 17.263 1.0 27.03 ? 40 GLN A N 1 40 . A ATOM 295 C CA . GLN A 1 40 ? 29.792 4.017 16.129 1.0 28.99 ? 40 GLN A CA 1 40 . A ATOM 296 C C . GLN A 1 40 ? 29.272 3.160 14.974 1.0 29.88 ? 40 GLN A C 1 40 . A ATOM 297 O O . GLN A 1 40 ? 29.673 2.027 14.818 1.0 30.15 ? 40 GLN A O 1 40 . A ATOM 298 C CB . GLN A 1 40 ? 30.895 4.908 15.643 1.0 28.99 ? 40 GLN A CB 1 40 . A ATOM 299 C CG . GLN A 1 40 ? 32.004 5.017 16.587 1.0 29.1 ? 40 GLN A CG 1 40 . A ATOM 300 C CD . GLN A 1 40 ? 33.314 4.867 15.875 1.0 31.73 ? 40 GLN A CD 1 40 . A ATOM 301 O OE1 . GLN A 1 40 ? 33.822 5.972 15.293 1.0 27.55 ? 40 GLN A OE1 1 40 . A ATOM 302 N NE2 . GLN A 1 40 ? 33.876 3.733 15.834 1.0 35.19 ? 40 GLN A NE2 1 40 . A ATOM 303 N N . GLY A 1 41 ? 28.395 3.703 14.146 1.0 30.44 ? 41 GLY A N 1 41 . A ATOM 304 C CA . GLY A 1 41 ? 27.878 2.947 13.005 1.0 30.12 ? 41 GLY A CA 1 41 . A ATOM 305 C C . GLY A 1 41 ? 26.591 3.567 12.466 1.0 29.33 ? 41 GLY A C 1 41 . A ATOM 306 O O . GLY A 1 41 ? 26.279 4.760 12.699 1.0 26.41 ? 41 GLY A O 1 41 . A ATOM 307 N N . CYS A 1 42 ? 25.827 2.722 11.779 1.0 30.97 ? 42 CYS A N 1 42 . A ATOM 308 C CA . CYS A 1 42 ? 24.603 3.157 11.160 1.0 33.37 ? 42 CYS A CA 1 42 . A ATOM 309 C C . CYS A 1 42 ? 23.320 3.058 11.987 1.0 31.99 ? 42 CYS A C 1 42 . A ATOM 310 O O . CYS A 1 42 ? 22.794 1.965 12.210 1.0 32.93 ? 42 CYS A O 1 42 . A ATOM 311 C CB . CYS A 1 42 ? 24.421 2.389 9.829 1.0 39.19 ? 42 CYS A CB 1 42 . A ATOM 312 S SG . CYS A 1 42 ? 25.655 2.577 8.466 1.0 43.48 ? 42 CYS A SG 1 42 . A ATOM 313 N N . VAL A 1 43 ? 22.735 4.170 12.388 1.0 30.59 ? 43 VAL A N 1 43 . A ATOM 314 C CA . VAL A 1 43 ? 21.470 4.020 13.067 1.0 32.51 ? 43 VAL A CA 1 43 . A ATOM 315 C C . VAL A 1 43 ? 20.276 4.499 12.181 1.0 37.07 ? 43 VAL A C 1 43 . A ATOM 316 O O . VAL A 1 43 ? 20.499 5.106 11.145 1.0 38.19 ? 43 VAL A O 1 43 . A ATOM 317 C CB . VAL A 1 43 ? 21.519 4.529 14.534 1.0 30.71 ? 43 VAL A CB 1 43 . A ATOM 318 C CG1 . VAL A 1 43 ? 21.854 5.978 14.602 1.0 27.96 ? 43 VAL A CG1 1 43 . A ATOM 319 C CG2 . VAL A 1 43 ? 20.243 4.159 15.262 1.0 29.81 ? 43 VAL A CG2 1 43 . A ATOM 320 N N . ALA A 1 44 ? 19.023 4.195 12.533 1.0 37.59 ? 44 ALA A N 1 44 . A ATOM 321 C CA . ALA A 1 44 ? 17.861 4.614 11.744 1.0 37.43 ? 44 ALA A CA 1 44 . A ATOM 322 C C . ALA A 1 44 ? 17.212 5.760 12.380 1.0 40.72 ? 44 ALA A C 1 44 . A ATOM 323 O O . ALA A 1 44 ? 16.363 6.416 11.771 1.0 42.91 ? 44 ALA A O 1 44 . A ATOM 324 C CB . ALA A 1 44 ? 16.856 3.588 11.756 1.0 37.15 ? 44 ALA A CB 1 44 . A ATOM 325 N N . THR A 1 45 ? 17.529 5.898 13.666 1.0 42.19 ? 45 THR A N 1 45 . A ATOM 326 C CA . THR A 1 45 ? 17.061 6.971 14.528 1.0 40.76 ? 45 THR A CA 1 45 . A ATOM 327 C C . THR A 1 45 ? 18.247 7.371 15.356 1.0 40.64 ? 45 THR A C 1 45 . A ATOM 328 O O . THR A 1 45 ? 19.264 6.711 15.242 1.0 42.02 ? 45 THR A O 1 45 . A ATOM 329 C CB . THR A 1 45 ? 16.163 6.411 15.532 1.0 39.99 ? 45 THR A CB 1 45 . A ATOM 330 O OG1 . THR A 1 45 ? 15.962 5.031 15.230 1.0 39.23 ? 45 THR A OG1 1 45 . A ATOM 331 C CG2 . THR A 1 45 ? 14.899 7.193 15.513 1.0 40.58 ? 45 THR A CG2 1 45 . A ATOM 332 N N . CYS A 1 46 ? 18.136 8.428 16.166 1.0 38.84 ? 46 CYS A N 1 46 . A ATOM 333 C CA . CYS A 1 46 ? 19.221 8.800 17.062 1.0 39.0 ? 46 CYS A CA 1 46 . A ATOM 334 C C . CYS A 1 46 ? 18.764 8.266 18.416 1.0 38.56 ? 46 CYS A C 1 46 . A ATOM 335 O O . CYS A 1 46 ? 17.755 8.715 18.953 1.0 38.31 ? 46 CYS A O 1 46 . A ATOM 336 C CB . CYS A 1 46 ? 19.426 10.307 17.213 1.0 40.19 ? 46 CYS A CB 1 46 . A ATOM 337 S SG . CYS A 1 46 ? 20.838 10.829 18.275 1.0 39.6 ? 46 CYS A SG 1 46 . A ATOM 338 N N . PRO A 1 47 ? 19.526 7.327 18.983 1.0 38.29 ? 47 PRO A N 1 47 . A ATOM 339 C CA . PRO A 1 47 ? 19.184 6.804 20.279 1.0 36.44 ? 47 PRO A CA 1 47 . A ATOM 340 C C . PRO A 1 47 ? 19.045 7.872 21.358 1.0 33.88 ? 47 PRO A C 1 47 . A ATOM 341 O O . PRO A 1 47 ? 19.853 8.747 21.551 1.0 30.56 ? 47 PRO A O 1 47 . A ATOM 342 C CB . PRO A 1 47 ? 20.336 5.848 20.580 1.0 36.62 ? 47 PRO A CB 1 47 . A ATOM 343 C CG . PRO A 1 47 ? 21.363 6.012 19.479 1.0 34.78 ? 47 PRO A CG 1 47 . A ATOM 344 C CD . PRO A 1 47 ? 20.982 7.199 18.733 1.0 37.47 ? 47 PRO A CD 1 47 . A ATOM 345 N N . GLN A 1 48 ? 17.925 7.790 22.026 1.0 38.24 ? 48 GLN A N 1 48 . A ATOM 346 C CA . GLN A 1 48 ? 17.590 8.658 23.117 1.0 42.47 ? 48 GLN A CA 1 48 . A ATOM 347 C C . GLN A 1 48 ? 18.741 8.543 24.104 1.0 42.48 ? 48 GLN A C 1 48 . A ATOM 348 O O . GLN A 1 48 ? 19.240 7.417 24.406 1.0 40.12 ? 48 GLN A O 1 48 . A ATOM 349 C CB . GLN A 1 48 ? 16.319 8.106 23.775 1.0 48.02 ? 48 GLN A CB 1 48 . A ATOM 350 C CG . GLN A 1 48 ? 14.967 8.382 23.052 1.0 51.08 ? 48 GLN A CG 1 48 . A ATOM 351 C CD . GLN A 1 48 ? 14.993 9.700 22.297 1.0 53.59 ? 48 GLN A CD 1 48 . A ATOM 352 O OE1 . GLN A 1 48 ? 14.921 10.793 22.911 1.0 53.35 ? 48 GLN A OE1 1 48 . A ATOM 353 N NE2 . GLN A 1 48 ? 15.169 9.636 20.957 1.0 53.9 ? 48 GLN A NE2 1 48 . A ATOM 354 N N . PHE A 1 49 ? 19.115 9.728 24.606 1.0 43.74 ? 49 PHE A N 1 49 . A ATOM 355 C CA . PHE A 1 49 ? 20.238 9.980 25.530 1.0 44.79 ? 49 PHE A CA 1 49 . A ATOM 356 C C . PHE A 1 49 ? 20.161 9.405 26.982 1.0 48.93 ? 49 PHE A C 1 49 . A ATOM 357 O O . PHE A 1 49 ? 19.582 10.034 27.881 1.0 51.73 ? 49 PHE A O 1 49 . A ATOM 358 C CB . PHE A 1 49 ? 20.555 11.494 25.481 1.0 41.3 ? 49 PHE A CB 1 49 . A ATOM 359 C CG . PHE A 1 49 ? 21.914 11.874 25.983 1.0 39.12 ? 49 PHE A CG 1 49 . A ATOM 360 C CD1 . PHE A 1 49 ? 23.023 11.631 25.257 1.0 39.9 ? 49 PHE A CD1 1 49 . A ATOM 361 C CD2 . PHE A 1 49 ? 22.075 12.497 27.187 1.0 40.73 ? 49 PHE A CD2 1 49 . A ATOM 362 C CE1 . PHE A 1 49 ? 24.275 12.034 25.716 1.0 41.01 ? 49 PHE A CE1 1 49 . A ATOM 363 C CE2 . PHE A 1 49 ? 23.335 12.875 27.692 1.0 40.8 ? 49 PHE A CE2 1 49 . A ATOM 364 C CZ . PHE A 1 49 ? 24.432 12.652 26.959 1.0 40.7 ? 49 PHE A CZ 1 49 . A ATOM 365 N N . ARG A 1 50 ? 20.755 8.219 27.194 1.0 49.71 ? 50 ARG A N 1 50 . A ATOM 366 C CA . ARG A 1 50 ? 20.779 7.507 28.486 1.0 49.27 ? 50 ARG A CA 1 50 . A ATOM 367 C C . ARG A 1 50 ? 21.702 8.240 29.408 1.0 49.73 ? 50 ARG A C 1 50 . A ATOM 368 O O . ARG A 1 50 ? 22.781 8.612 28.989 1.0 51.13 ? 50 ARG A O 1 50 . A ATOM 369 C CB . ARG A 1 50 ? 21.265 6.060 28.333 1.0 48.2 ? 50 ARG A CB 1 50 . A ATOM 370 C CG . ARG A 1 50 ? 20.082 5.116 28.458 1.0 49.79 ? 50 ARG A CG 1 50 . A ATOM 371 C CD . ARG A 1 50 ? 20.150 3.860 27.558 1.0 52.42 ? 50 ARG A CD 1 50 . A ATOM 372 N NE . ARG A 1 50 ? 21.509 3.303 27.381 1.0 54.14 ? 50 ARG A NE 1 50 . A ATOM 373 C CZ . ARG A 1 50 ? 21.755 2.074 26.922 1.0 54.92 ? 50 ARG A CZ 1 50 . A ATOM 374 N NH1 . ARG A 1 50 ? 20.750 1.256 26.583 1.0 53.78 ? 50 ARG A NH1 1 50 . A ATOM 375 N NH2 . ARG A 1 50 ? 23.017 1.673 26.797 1.0 55.88 ? 50 ARG A NH2 1 50 . A ATOM 376 N N . SER A 1 51 ? 21.277 8.440 30.648 1.0 49.64 ? 51 SER A N 1 51 . A ATOM 377 C CA . SER A 1 51 ? 22.047 9.152 31.681 1.0 49.33 ? 51 SER A CA 1 51 . A ATOM 378 C C . SER A 1 51 ? 23.511 8.691 31.866 1.0 45.18 ? 51 SER A C 1 51 . A ATOM 379 O O . SER A 1 51 ? 24.391 9.490 32.235 1.0 44.71 ? 51 SER A O 1 51 . A ATOM 380 C CB . SER A 1 51 ? 21.288 9.100 33.026 1.0 53.28 ? 51 SER A CB 1 51 . A ATOM 381 O OG . SER A 1 51 ? 21.014 10.403 33.567 1.0 55.99 ? 51 SER A OG 1 51 . A ATOM 382 N N . ASN A 1 52 ? 23.755 7.411 31.594 1.0 42.18 ? 52 ASN A N 1 52 . A ATOM 383 C CA . ASN A 1 52 ? 25.076 6.815 31.627 1.0 41.02 ? 52 ASN A CA 1 52 . A ATOM 384 C C . ASN A 1 52 ? 26.042 7.201 30.486 1.0 35.61 ? 52 ASN A C 1 52 . A ATOM 385 O O . ASN A 1 52 ? 27.138 6.629 30.379 1.0 37.48 ? 52 ASN A O 1 52 . A ATOM 386 C CB . ASN A 1 52 ? 24.902 5.293 31.586 1.0 47.61 ? 52 ASN A CB 1 52 . A ATOM 387 C CG . ASN A 1 52 ? 24.281 4.759 30.261 1.0 53.41 ? 52 ASN A CG 1 52 . A ATOM 388 O OD1 . ASN A 1 52 ? 24.043 5.523 29.306 1.0 56.53 ? 52 ASN A OD1 1 52 . A ATOM 389 N ND2 . ASN A 1 52 ? 23.994 3.430 30.223 1.0 54.09 ? 52 ASN A ND2 1 52 . A ATOM 390 N N . TYR A 1 53 ? 25.693 8.120 29.597 1.0 29.78 ? 53 TYR A N 1 53 . A ATOM 391 C CA . TYR A 1 53 ? 26.660 8.370 28.550 1.0 28.46 ? 53 TYR A CA 1 53 . A ATOM 392 C C . TYR A 1 53 ? 27.506 9.592 28.788 1.0 28.38 ? 53 TYR A C 1 53 . A ATOM 393 O O . TYR A 1 53 ? 27.067 10.578 29.355 1.0 31.52 ? 53 TYR A O 1 53 . A ATOM 394 C CB . TYR A 1 53 ? 26.075 8.504 27.137 1.0 27.58 ? 53 TYR A CB 1 53 . A ATOM 395 C CG . TYR A 1 53 ? 25.098 7.507 26.517 1.0 27.0 ? 53 TYR A CG 1 53 . A ATOM 396 C CD1 . TYR A 1 53 ? 25.355 6.129 26.404 1.0 25.58 ? 53 TYR A CD1 1 53 . A ATOM 397 C CD2 . TYR A 1 53 ? 23.970 7.981 25.894 1.0 25.81 ? 53 TYR A CD2 1 53 . A ATOM 398 C CE1 . TYR A 1 53 ? 24.412 5.290 25.837 1.0 22.81 ? 53 TYR A CE1 1 53 . A ATOM 399 C CE2 . TYR A 1 53 ? 23.106 7.143 25.224 1.0 24.23 ? 53 TYR A CE2 1 53 . A ATOM 400 C CZ . TYR A 1 53 ? 23.319 5.829 25.235 1.0 22.13 ? 53 TYR A CZ 1 53 . A ATOM 401 O OH . TYR A 1 53 ? 22.408 5.077 24.549 1.0 21.54 ? 53 TYR A OH 1 53 . A ATOM 402 N N . ARG A 1 54 ? 28.713 9.548 28.264 1.0 24.77 ? 54 ARG A N 1 54 . A ATOM 403 C CA . ARG A 1 54 ? 29.605 10.614 28.381 1.0 22.37 ? 54 ARG A CA 1 54 . A ATOM 404 C C . ARG A 1 54 ? 29.315 11.425 27.150 1.0 25.45 ? 54 ARG A C 1 54 . A ATOM 405 O O . ARG A 1 54 ? 29.768 12.582 27.042 1.0 27.65 ? 54 ARG A O 1 54 . A ATOM 406 C CB . ARG A 1 54 ? 30.937 10.004 28.320 1.0 25.52 ? 54 ARG A CB 1 54 . A ATOM 407 C CG . ARG A 1 54 ? 32.063 10.944 28.136 1.0 32.99 ? 54 ARG A CG 1 54 . A ATOM 408 C CD . ARG A 1 54 ? 32.640 11.618 29.447 1.0 39.41 ? 54 ARG A CD 1 54 . A ATOM 409 N NE . ARG A 1 54 ? 32.963 10.685 30.551 1.0 43.93 ? 54 ARG A NE 1 54 . A ATOM 410 C CZ . ARG A 1 54 ? 34.135 10.068 30.737 1.0 45.32 ? 54 ARG A CZ 1 54 . A ATOM 411 N NH1 . ARG A 1 54 ? 35.141 10.222 29.868 1.0 43.69 ? 54 ARG A NH1 1 54 . A ATOM 412 N NH2 . ARG A 1 54 ? 34.274 9.265 31.798 1.0 46.65 ? 54 ARG A NH2 1 54 . A ATOM 413 N N . SER A 1 55 ? 28.526 10.866 26.218 1.0 24.35 ? 55 SER A N 1 55 . A ATOM 414 C CA . SER A 1 55 ? 28.145 11.592 24.981 1.0 22.71 ? 55 SER A CA 1 55 . A ATOM 415 C C . SER A 1 55 ? 27.675 10.804 23.835 1.0 20.43 ? 55 SER A C 1 55 . A ATOM 416 O O . SER A 1 55 ? 28.146 9.713 23.610 1.0 18.38 ? 55 SER A O 1 55 . A ATOM 417 C CB . SER A 1 55 ? 29.244 12.426 24.354 1.0 21.37 ? 55 SER A CB 1 55 . A ATOM 418 O OG . SER A 1 55 ? 30.166 11.511 23.902 1.0 19.0 ? 55 SER A OG 1 55 . A ATOM 419 N N . LEU A 1 56 ? 26.773 11.483 23.107 1.0 22.76 ? 56 LEU A N 1 56 . A ATOM 420 C CA . LEU A 1 56 ? 26.075 11.065 21.881 1.0 23.12 ? 56 LEU A CA 1 56 . A ATOM 421 C C . LEU A 1 56 ? 26.406 12.159 20.852 1.0 27.1 ? 56 LEU A C 1 56 . A ATOM 422 O O . LEU A 1 56 ? 26.669 13.307 21.205 1.0 27.93 ? 56 LEU A O 1 56 . A ATOM 423 C CB . LEU A 1 56 ? 24.584 11.023 22.081 1.0 18.26 ? 56 LEU A CB 1 56 . A ATOM 424 C CG . LEU A 1 56 ? 23.997 9.689 21.708 1.0 17.06 ? 56 LEU A CG 1 56 . A ATOM 425 C CD1 . LEU A 1 56 ? 22.553 9.913 21.469 1.0 17.48 ? 56 LEU A CD1 1 56 . A ATOM 426 C CD2 . LEU A 1 56 ? 24.621 9.062 20.499 1.0 16.57 ? 56 LEU A CD2 1 56 . A ATOM 427 N N . LEU A 1 57 ? 26.494 11.722 19.599 1.0 28.81 ? 57 LEU A N 1 57 . A ATOM 428 C CA . LEU A 1 57 ? 26.840 12.493 18.407 1.0 27.68 ? 57 LEU A CA 1 57 . A ATOM 429 C C . LEU A 1 57 ? 26.004 11.804 17.359 1.0 30.99 ? 57 LEU A C 1 57 . A ATOM 430 O O . LEU A 1 57 ? 26.219 10.589 17.122 1.0 31.34 ? 57 LEU A O 1 57 . A ATOM 431 C CB . LEU A 1 57 ? 28.248 12.162 17.972 1.0 25.62 ? 57 LEU A CB 1 57 . A ATOM 432 C CG . LEU A 1 57 ? 28.600 12.960 16.721 1.0 27.16 ? 57 LEU A CG 1 57 . A ATOM 433 C CD1 . LEU A 1 57 ? 28.036 14.377 16.842 1.0 30.76 ? 57 LEU A CD1 1 57 . A ATOM 434 C CD2 . LEU A 1 57 ? 30.010 12.924 16.104 1.0 24.93 ? 57 LEU A CD2 1 57 . A ATOM 435 N N . CYS A 1 58 ? 25.074 12.543 16.754 1.0 32.11 ? 58 CYS A N 1 58 . A ATOM 436 C CA . CYS A 1 58 ? 24.215 11.995 15.707 1.0 34.99 ? 58 CYS A CA 1 58 . A ATOM 437 C C . CYS A 1 58 ? 24.289 12.983 14.561 1.0 34.48 ? 58 CYS A C 1 58 . A ATOM 438 O O . CYS A 1 58 ? 23.924 14.158 14.737 1.0 33.44 ? 58 CYS A O 1 58 . A ATOM 439 C CB . CYS A 1 58 ? 22.785 11.902 16.195 1.0 38.44 ? 58 CYS A CB 1 58 . A ATOM 440 S SG . CYS A 1 58 ? 22.420 10.364 17.094 1.0 42.05 ? 58 CYS A SG 1 58 . A ATOM 441 N N . CYS A 1 59 ? 24.797 12.515 13.416 1.0 34.51 ? 59 CYS A N 1 59 . A ATOM 442 C CA . CYS A 1 59 ? 24.993 13.346 12.217 1.0 35.51 ? 59 CYS A CA 1 59 . A ATOM 443 C C . CYS A 1 59 ? 24.651 12.659 10.861 1.0 37.66 ? 59 CYS A C 1 59 . A ATOM 444 O O . CYS A 1 59 ? 25.074 11.501 10.624 1.0 39.07 ? 59 CYS A O 1 59 . A ATOM 445 C CB . CYS A 1 59 ? 26.420 13.806 12.181 1.0 32.47 ? 59 CYS A CB 1 59 . A ATOM 446 S SG . CYS A 1 59 ? 27.481 12.341 12.221 1.0 33.95 ? 59 CYS A SG 1 59 . A ATOM 447 N N . THR A 1 60 ? 23.894 13.377 9.997 1.0 34.55 ? 60 THR A N 1 60 . A ATOM 448 C CA . THR A 1 60 ? 23.437 12.932 8.663 1.0 28.91 ? 60 THR A CA 1 60 . A ATOM 449 C C . THR A 1 60 ? 24.466 13.460 7.671 1.0 24.34 ? 60 THR A C 1 60 . A ATOM 450 O O . THR A 1 60 ? 24.342 14.554 7.244 1.0 25.09 ? 60 THR A O 1 60 . A ATOM 451 C CB . THR A 1 60 ? 22.221 13.720 8.333 1.0 30.52 ? 60 THR A CB 1 60 . A ATOM 452 O OG1 . THR A 1 60 ? 22.557 15.071 8.539 1.0 32.11 ? 60 THR A OG1 1 60 . A ATOM 453 C CG2 . THR A 1 60 ? 21.052 13.458 9.296 1.0 31.83 ? 60 THR A CG2 1 60 . A ATOM 454 N N . THR A 1 61 ? 25.511 12.699 7.363 1.0 21.33 ? 61 THR A N 1 61 . A ATOM 455 C CA . THR A 1 61 ? 26.586 13.111 6.500 1.0 24.51 ? 61 THR A CA 1 61 . A ATOM 456 C C . THR A 1 61 ? 27.502 11.906 6.404 1.0 30.9 ? 61 THR A C 1 61 . A ATOM 457 O O . THR A 1 61 ? 27.540 11.126 7.314 1.0 32.25 ? 61 THR A O 1 61 . A ATOM 458 C CB . THR A 1 61 ? 27.368 14.227 7.087 1.0 24.78 ? 61 THR A CB 1 61 . A ATOM 459 O OG1 . THR A 1 61 ? 26.678 15.458 6.845 1.0 23.89 ? 61 THR A OG1 1 61 . A ATOM 460 C CG2 . THR A 1 61 ? 28.815 14.275 6.444 1.0 23.47 ? 61 THR A CG2 1 61 . A ATOM 461 N N . ASP A 1 62 ? 28.166 11.609 5.300 1.0 36.04 ? 62 ASP A N 1 62 . A ATOM 462 C CA . ASP A 1 62 ? 28.838 10.307 5.406 1.0 38.53 ? 62 ASP A CA 1 62 . A ATOM 463 C C . ASP A 1 62 ? 29.999 10.305 6.326 1.0 39.11 ? 62 ASP A C 1 62 . A ATOM 464 O O . ASP A 1 62 ? 30.747 11.262 6.321 1.0 39.74 ? 62 ASP A O 1 62 . A ATOM 465 C CB . ASP A 1 62 ? 29.100 9.519 4.091 1.0 38.06 ? 62 ASP A CB 1 62 . A ATOM 466 C CG . ASP A 1 62 ? 27.951 9.592 3.116 1.0 38.1 ? 62 ASP A CG 1 62 . A ATOM 467 O OD1 . ASP A 1 62 ? 26.783 9.466 3.521 1.0 37.54 ? 62 ASP A OD1 1 62 . A ATOM 468 O OD2 . ASP A 1 62 ? 28.229 9.841 1.929 1.0 39.69 ? 62 ASP A OD2 1 62 . A ATOM 469 N N . ASN A 1 63 ? 30.137 9.240 7.104 1.0 39.62 ? 63 ASN A N 1 63 . A ATOM 470 C CA . ASN A 1 63 ? 31.272 9.152 7.983 1.0 41.11 ? 63 ASN A CA 1 63 . A ATOM 471 C C . ASN A 1 63 ? 31.373 10.422 8.867 1.0 39.42 ? 63 ASN A C 1 63 . A ATOM 472 O O . ASN A 1 63 ? 32.472 10.873 9.257 1.0 37.16 ? 63 ASN A O 1 63 . A ATOM 473 C CB . ASN A 1 63 ? 32.511 9.047 7.116 1.0 45.56 ? 63 ASN A CB 1 63 . A ATOM 474 C CG . ASN A 1 63 ? 32.569 7.746 6.368 1.0 51.66 ? 63 ASN A CG 1 63 . A ATOM 475 O OD1 . ASN A 1 63 ? 33.667 7.202 6.122 1.0 54.75 ? 63 ASN A OD1 1 63 . A ATOM 476 N ND2 . ASN A 1 63 ? 31.391 7.194 6.009 1.0 53.52 ? 63 ASN A ND2 1 63 . A ATOM 477 N N . CYS A 1 64 ? 30.228 11.038 9.154 1.0 36.89 ? 64 CYS A N 1 64 . A ATOM 478 C CA . CYS A 1 64 ? 30.335 12.212 9.934 1.0 32.6 ? 64 CYS A CA 1 64 . A ATOM 479 C C . CYS A 1 64 ? 30.600 11.820 11.383 1.0 32.93 ? 64 CYS A C 1 64 . A ATOM 480 O O . CYS A 1 64 ? 31.244 12.582 12.094 1.0 33.23 ? 64 CYS A O 1 64 . A ATOM 481 C CB . CYS A 1 64 ? 29.107 13.024 9.751 1.0 28.49 ? 64 CYS A CB 1 64 . A ATOM 482 S SG . CYS A 1 64 ? 27.787 11.990 10.239 1.0 29.69 ? 64 CYS A SG 1 64 . A ATOM 483 N N . ASN A 1 65 ? 30.195 10.613 11.776 1.0 32.28 ? 65 ASN A N 1 65 . A ATOM 484 C CA . ASN A 1 65 ? 30.393 10.150 13.155 1.0 33.07 ? 65 ASN A CA 1 65 . A ATOM 485 C C . ASN A 1 65 ? 31.842 9.846 13.533 1.0 38.54 ? 65 ASN A C 1 65 . A ATOM 486 O O . ASN A 1 65 ? 32.255 8.704 13.721 1.0 37.87 ? 65 ASN A O 1 65 . A ATOM 487 C CB . ASN A 1 65 ? 29.552 8.934 13.444 1.0 27.29 ? 65 ASN A CB 1 65 . A ATOM 488 C CG . ASN A 1 65 ? 29.931 7.866 12.569 1.0 23.59 ? 65 ASN A CG 1 65 . A ATOM 489 O OD1 . ASN A 1 65 ? 30.512 8.171 11.543 1.0 22.84 ? 65 ASN A OD1 1 65 . A ATOM 490 N ND2 . ASN A 1 65 ? 29.774 6.642 12.975 1.0 22.29 ? 65 ASN A ND2 1 65 . A ATOM 491 N N . HIS A 1 66 ? 32.618 10.908 13.677 1.0 44.9 ? 66 HIS A N 1 66 . A ATOM 492 C CA . HIS A 1 66 ? 34.010 10.795 14.075 1.0 49.51 ? 66 HIS A CA 1 66 . A ATOM 493 C C . HIS A 1 66 ? 34.304 11.972 14.950 1.0 49.34 ? 66 HIS A C 1 66 . A ATOM 494 O O . HIS A 1 66 ? 33.554 12.967 14.726 1.0 47.93 ? 66 HIS A O 1 66 . A ATOM 495 C CB . HIS A 1 66 ? 35.010 10.819 12.864 1.0 54.59 ? 66 HIS A CB 1 66 . A ATOM 496 C CG . HIS A 1 66 ? 35.254 12.183 12.269 1.0 57.7 ? 66 HIS A CG 1 66 . A ATOM 497 N ND1 . HIS A 1 66 ? 34.398 12.746 11.342 1.0 59.64 ? 66 HIS A ND1 1 66 . A ATOM 498 C CD2 . HIS A 1 66 ? 36.283 13.056 12.414 1.0 57.66 ? 66 HIS A CD2 1 66 . A ATOM 499 C CE1 . HIS A 1 66 ? 34.857 13.937 10.986 1.0 59.91 ? 66 HIS A CE1 1 66 . A ATOM 500 N NE2 . HIS A 1 66 ? 35.992 14.155 11.631 1.0 58.88 ? 66 HIS A NE2 1 66 . A ATOM 501 O OXT . HIS A 1 66 ? 35.284 11.783 15.718 1.0 50.95 ? 66 HIS A OXT 1 66 . A ATOM 502 N N . ARG AA 1 1 ? 16.822 -17.422 3.805 1.0 33.26 ? 1 ARG AA N 1 1 . A ATOM 503 C CA . ARG AA 1 1 ? 18.047 -18.173 3.549 1.0 35.16 ? 1 ARG AA CA 1 1 . A ATOM 504 C C . ARG AA 1 1 ? 17.905 -19.630 3.939 1.0 35.05 ? 1 ARG AA C 1 1 . A ATOM 505 O O . ARG AA 1 1 ? 16.808 -20.156 3.961 1.0 38.18 ? 1 ARG AA O 1 1 . A ATOM 506 C CB . ARG AA 1 1 ? 19.169 -17.527 4.386 1.0 38.85 ? 1 ARG AA CB 1 1 . A ATOM 507 C CG . ARG AA 1 1 ? 18.734 -16.680 5.583 1.0 40.56 ? 1 ARG AA CG 1 1 . A ATOM 508 C CD . ARG AA 1 1 ? 19.974 -16.246 6.320 1.0 42.72 ? 1 ARG AA CD 1 1 . A ATOM 509 N NE . ARG AA 1 1 ? 20.572 -15.003 5.814 1.0 46.89 ? 1 ARG AA NE 1 1 . A ATOM 510 C CZ . ARG AA 1 1 ? 21.389 -14.933 4.753 1.0 49.39 ? 1 ARG AA CZ 1 1 . A ATOM 511 N NH1 . ARG AA 1 1 ? 21.684 -16.056 4.065 1.0 49.8 ? 1 ARG AA NH1 1 1 . A ATOM 512 N NH2 . ARG AA 1 1 ? 21.924 -13.745 4.398 1.0 49.33 ? 1 ARG AA NH2 1 1 . A ATOM 513 N N . THR AA 1 2 ? 18.988 -20.303 4.287 1.0 34.88 ? 2 THR AA N 1 2 . A ATOM 514 C CA . THR AA 1 2 ? 18.853 -21.662 4.838 1.0 35.42 ? 2 THR AA CA 1 2 . A ATOM 515 C C . THR AA 1 2 ? 19.569 -21.597 6.166 1.0 31.19 ? 2 THR AA C 1 2 . A ATOM 516 O O . THR AA 1 2 ? 20.515 -20.839 6.339 1.0 29.4 ? 2 THR AA O 1 2 . A ATOM 517 C CB . THR AA 1 2 ? 19.542 -22.770 4.064 1.0 39.11 ? 2 THR AA CB 1 2 . A ATOM 518 O OG1 . THR AA 1 2 ? 20.499 -22.194 3.182 1.0 43.5 ? 2 THR AA OG1 1 2 . A ATOM 519 C CG2 . THR AA 1 2 ? 18.551 -23.547 3.280 1.0 39.88 ? 2 THR AA CG2 1 2 . A ATOM 520 N N . CYS AA 1 3 ? 19.110 -22.405 7.106 1.0 31.28 ? 3 CYS AA N 1 3 . A ATOM 521 C CA . CYS AA 1 3 ? 19.692 -22.459 8.454 1.0 27.97 ? 3 CYS AA CA 1 3 . A ATOM 522 C C . CYS AA 1 3 ? 19.661 -23.882 8.941 1.0 26.3 ? 3 CYS AA C 1 3 . A ATOM 523 O O . CYS AA 1 3 ? 18.896 -24.742 8.418 1.0 22.94 ? 3 CYS AA O 1 3 . A ATOM 524 C CB . CYS AA 1 3 ? 18.767 -21.723 9.337 1.0 27.05 ? 3 CYS AA CB 1 3 . A ATOM 525 S SG . CYS AA 1 3 ? 18.655 -19.969 8.937 1.0 27.84 ? 3 CYS AA SG 1 3 . A ATOM 526 N N . LEU AA 1 4 ? 20.478 -24.167 9.958 1.0 26.9 ? 4 LEU AA N 1 4 . A ATOM 527 C CA . LEU AA 1 4 ? 20.400 -25.527 10.524 1.0 25.03 ? 4 LEU AA CA 1 4 . A ATOM 528 C C . LEU AA 1 4 ? 19.133 -25.708 11.432 1.0 24.06 ? 4 LEU AA C 1 4 . A ATOM 529 O O . LEU AA 1 4 ? 18.574 -24.731 11.929 1.0 21.5 ? 4 LEU AA O 1 4 . A ATOM 530 C CB . LEU AA 1 4 ? 21.712 -25.879 11.181 1.0 25.9 ? 4 LEU AA CB 1 4 . A ATOM 531 C CG . LEU AA 1 4 ? 22.643 -26.625 10.205 1.0 31.57 ? 4 LEU AA CG 1 4 . A ATOM 532 C CD1 . LEU AA 1 4 ? 22.208 -28.061 9.716 1.0 31.19 ? 4 LEU AA CD1 1 4 . A ATOM 533 C CD2 . LEU AA 1 4 ? 22.956 -25.807 8.940 1.0 33.19 ? 4 LEU AA CD2 1 4 . A ATOM 534 N N . ILE AA 1 5 ? 18.641 -26.932 11.610 1.0 28.6 ? 5 ILE AA N 1 5 . A ATOM 535 C CA . ILE AA 1 5 ? 17.514 -27.197 12.546 1.0 33.21 ? 5 ILE AA CA 1 5 . A ATOM 536 C C . ILE AA 1 5 ? 17.805 -28.153 13.720 1.0 36.36 ? 5 ILE AA C 1 5 . A ATOM 537 O O . ILE AA 1 5 ? 18.335 -29.239 13.547 1.0 35.93 ? 5 ILE AA O 1 5 . A ATOM 538 C CB . ILE AA 1 5 ? 16.143 -27.586 11.979 1.0 31.13 ? 5 ILE AA CB 1 5 . A ATOM 539 C CG1 . ILE AA 1 5 ? 16.163 -28.906 11.240 1.0 33.46 ? 5 ILE AA CG1 1 5 . A ATOM 540 C CG2 . ILE AA 1 5 ? 15.456 -26.421 11.468 1.0 30.07 ? 5 ILE AA CG2 1 5 . A ATOM 541 C CD1 . ILE AA 1 5 ? 14.880 -29.687 11.398 1.0 35.94 ? 5 ILE AA CD1 1 5 . A ATOM 542 N N . SER AA 1 6 ? 17.378 -27.718 14.901 1.0 39.16 ? 6 SER AA N 1 6 . A ATOM 543 C CA . SER AA 1 6 ? 17.587 -28.419 16.168 1.0 38.77 ? 6 SER AA CA 1 6 . A ATOM 544 C C . SER AA 1 6 ? 18.172 -29.791 16.233 1.0 40.15 ? 6 SER AA C 1 6 . A ATOM 545 O O . SER AA 1 6 ? 19.373 -29.948 16.014 1.0 42.86 ? 6 SER AA O 1 6 . A ATOM 546 C CB . SER AA 1 6 ? 16.536 -28.190 17.298 1.0 36.98 ? 6 SER AA CB 1 6 . A ATOM 547 O OG . SER AA 1 6 ? 15.830 -26.959 17.252 1.0 35.88 ? 6 SER AA OG 1 6 . A ATOM 548 N N . PRO AA 1 7 ? 17.290 -30.741 16.557 1.0 39.41 ? 7 PRO AA N 1 7 . A ATOM 549 C CA . PRO AA 1 7 ? 17.596 -32.096 16.923 1.0 36.66 ? 7 PRO AA CA 1 7 . A ATOM 550 C C . PRO AA 1 7 ? 18.651 -32.574 16.072 1.0 37.33 ? 7 PRO AA C 1 7 . A ATOM 551 O O . PRO AA 1 7 ? 19.774 -32.693 16.553 1.0 40.9 ? 7 PRO AA O 1 7 . A ATOM 552 C CB . PRO AA 1 7 ? 16.316 -32.846 16.695 1.0 35.46 ? 7 PRO AA CB 1 7 . A ATOM 553 C CG . PRO AA 1 7 ? 15.254 -31.763 16.479 1.0 37.38 ? 7 PRO AA CG 1 7 . A ATOM 554 C CD . PRO AA 1 7 ? 16.044 -30.700 15.775 1.0 38.92 ? 7 PRO AA CD 1 7 . A ATOM 555 N N . SER AA 1 8 ? 18.348 -32.680 14.795 1.0 35.58 ? 8 SER AA N 1 8 . A ATOM 556 C CA . SER AA 1 8 ? 19.278 -33.235 13.804 1.0 33.57 ? 8 SER AA CA 1 8 . A ATOM 557 C C . SER AA 1 8 ? 20.243 -32.301 13.230 1.0 29.88 ? 8 SER AA C 1 8 . A ATOM 558 O O . SER AA 1 8 ? 21.078 -32.721 12.475 1.0 25.94 ? 8 SER AA O 1 8 . A ATOM 559 C CB . SER AA 1 8 ? 18.469 -33.606 12.596 1.0 34.49 ? 8 SER AA CB 1 8 . A ATOM 560 O OG . SER AA 1 8 ? 17.850 -32.396 12.197 1.0 36.91 ? 8 SER AA OG 1 8 . A ATOM 561 N N . SER AA 1 9 ? 20.035 -31.025 13.472 1.0 34.32 ? 9 SER AA N 1 9 . A ATOM 562 C CA . SER AA 1 9 ? 20.908 -30.013 12.878 1.0 37.33 ? 9 SER AA CA 1 9 . A ATOM 563 C C . SER AA 1 9 ? 21.073 -30.231 11.367 1.0 37.82 ? 9 SER AA C 1 9 . A ATOM 564 O O . SER AA 1 9 ? 22.178 -30.584 10.963 1.0 37.26 ? 9 SER AA O 1 9 . A ATOM 565 C CB . SER AA 1 9 ? 22.291 -30.090 13.545 1.0 37.33 ? 9 SER AA CB 1 9 . A ATOM 566 O OG . SER AA 1 9 ? 22.305 -29.264 14.686 1.0 36.81 ? 9 SER AA OG 1 9 . A ATOM 567 N N . THR AA 1 10 ? 20.010 -30.110 10.548 1.0 37.71 ? 10 THR AA N 1 10 . A ATOM 568 C CA . THR AA 1 10 ? 20.144 -30.304 9.075 1.0 34.08 ? 10 THR AA CA 1 10 . A ATOM 569 C C . THR AA 1 10 ? 19.665 -29.039 8.405 1.0 33.96 ? 10 THR AA C 1 10 . A ATOM 570 O O . THR AA 1 10 ? 19.293 -28.085 9.069 1.0 36.46 ? 10 THR AA O 1 10 . A ATOM 571 C CB . THR AA 1 10 ? 19.225 -31.349 8.537 1.0 30.11 ? 10 THR AA CB 1 10 . A ATOM 572 O OG1 . THR AA 1 10 ? 17.933 -30.763 8.548 1.0 35.16 ? 10 THR AA OG1 1 10 . A ATOM 573 C CG2 . THR AA 1 10 ? 19.154 -32.501 9.368 1.0 25.16 ? 10 THR AA CG2 1 10 . A ATOM 574 N N . PRO AA 1 11 ? 19.622 -28.989 7.085 1.0 32.01 ? 11 PRO AA N 1 11 . A ATOM 575 C CA . PRO AA 1 11 ? 19.195 -27.729 6.518 1.0 30.04 ? 11 PRO AA CA 1 11 . A ATOM 576 C C . PRO AA 1 11 ? 17.695 -27.589 6.206 1.0 28.77 ? 11 PRO AA C 1 11 . A ATOM 577 O O . PRO AA 1 11 ? 16.981 -28.558 5.853 1.0 27.14 ? 11 PRO AA O 1 11 . A ATOM 578 C CB . PRO AA 1 11 ? 20.070 -27.592 5.273 1.0 30.75 ? 11 PRO AA CB 1 11 . A ATOM 579 C CG . PRO AA 1 11 ? 21.189 -28.452 5.491 1.0 31.57 ? 11 PRO AA CG 1 11 . A ATOM 580 C CD . PRO AA 1 11 ? 20.630 -29.639 6.248 1.0 31.51 ? 11 PRO AA CD 1 11 . A ATOM 581 N N . GLN AA 1 12 ? 17.207 -26.362 6.353 1.0 27.47 ? 12 GLN AA N 1 12 . A ATOM 582 C CA . GLN AA 1 12 ? 15.824 -26.116 6.042 1.0 28.63 ? 12 GLN AA CA 1 12 . A ATOM 583 C C . GLN AA 1 12 ? 15.883 -24.710 5.580 1.0 32.0 ? 12 GLN AA C 1 12 . A ATOM 584 O O . GLN AA 1 12 ? 16.786 -23.961 6.001 1.0 33.33 ? 12 GLN AA O 1 12 . A ATOM 585 C CB . GLN AA 1 12 ? 14.883 -26.195 7.238 1.0 29.35 ? 12 GLN AA CB 1 12 . A ATOM 586 C CG . GLN AA 1 12 ? 14.555 -24.814 7.818 1.0 29.39 ? 12 GLN AA CG 1 12 . A ATOM 587 C CD . GLN AA 1 12 ? 13.308 -24.766 8.678 1.0 30.23 ? 12 GLN AA CD 1 12 . A ATOM 588 O OE1 . GLN AA 1 12 ? 13.000 -23.690 9.187 1.0 33.72 ? 12 GLN AA OE1 1 12 . A ATOM 589 N NE2 . GLN AA 1 12 ? 12.573 -25.879 8.807 1.0 26.9 ? 12 GLN AA NE2 1 12 . A ATOM 590 N N . THR AA 1 13 ? 14.936 -24.407 4.692 1.0 33.8 ? 13 THR AA N 1 13 . A ATOM 591 C CA . THR AA 1 13 ? 14.800 -23.159 3.974 1.0 33.97 ? 13 THR AA CA 1 13 . A ATOM 592 C C . THR AA 1 13 ? 13.787 -22.225 4.612 1.0 35.11 ? 13 THR AA C 1 13 . A ATOM 593 O O . THR AA 1 13 ? 12.576 -22.543 4.675 1.0 34.32 ? 13 THR AA O 1 13 . A ATOM 594 C CB . THR AA 1 13 ? 14.259 -23.543 2.592 1.0 34.35 ? 13 THR AA CB 1 13 . A ATOM 595 O OG1 . THR AA 1 13 ? 14.982 -24.674 2.115 1.0 33.3 ? 13 THR AA OG1 1 13 . A ATOM 596 C CG2 . THR AA 1 13 ? 14.380 -22.373 1.611 1.0 33.31 ? 13 THR AA CG2 1 13 . A ATOM 597 N N . CYS AA 1 14 ? 14.281 -21.081 5.071 1.0 37.22 ? 14 CYS AA N 1 14 . A ATOM 598 C CA . CYS AA 1 14 ? 13.435 -20.103 5.730 1.0 42.45 ? 14 CYS AA CA 1 14 . A ATOM 599 C C . CYS AA 1 14 ? 12.315 -19.573 4.838 1.0 47.61 ? 14 CYS AA C 1 14 . A ATOM 600 O O . CYS AA 1 14 ? 12.319 -19.754 3.620 1.0 49.29 ? 14 CYS AA O 1 14 . A ATOM 601 C CB . CYS AA 1 14 ? 14.291 -18.932 6.223 1.0 43.25 ? 14 CYS AA CB 1 14 . A ATOM 602 S SG . CYS AA 1 14 ? 15.711 -19.439 7.241 1.0 46.92 ? 14 CYS AA SG 1 14 . A ATOM 603 N N . PRO AA 1 15 ? 11.356 -18.897 5.434 1.0 50.77 ? 15 PRO AA N 1 15 . A ATOM 604 C CA . PRO AA 1 15 ? 10.294 -18.289 4.651 1.0 53.91 ? 15 PRO AA CA 1 15 . A ATOM 605 C C . PRO AA 1 15 ? 10.602 -16.778 4.596 1.0 56.51 ? 15 PRO AA C 1 15 . A ATOM 606 O O . PRO AA 1 15 ? 11.654 -16.353 5.088 1.0 57.31 ? 15 PRO AA O 1 15 . A ATOM 607 C CB . PRO AA 1 15 ? 9.029 -18.737 5.415 1.0 53.68 ? 15 PRO AA CB 1 15 . A ATOM 608 C CG . PRO AA 1 15 ? 9.429 -20.240 5.917 1.0 51.99 ? 15 PRO AA CG 1 15 . A ATOM 609 C CD . PRO AA 1 15 ? 10.983 -20.267 5.869 1.0 51.13 ? 15 PRO AA CD 1 15 . A ATOM 610 N N . ASN AA 1 16 ? 9.790 -15.968 3.922 1.0 58.64 ? 16 ASN AA N 1 16 . A ATOM 611 C CA . ASN AA 1 16 ? 10.138 -14.544 3.825 1.0 61.9 ? 16 ASN AA CA 1 16 . A ATOM 612 C C . ASN AA 1 16 ? 10.124 -14.026 5.219 1.0 62.5 ? 16 ASN AA C 1 16 . A ATOM 613 O O . ASN AA 1 16 ? 9.214 -14.371 5.975 1.0 64.81 ? 16 ASN AA O 1 16 . A ATOM 614 C CB . ASN AA 1 16 ? 9.097 -13.741 2.990 1.0 66.15 ? 16 ASN AA CB 1 16 . A ATOM 615 C CG . ASN AA 1 16 ? 8.031 -12.950 3.867 1.0 69.06 ? 16 ASN AA CG 1 16 . A ATOM 616 O OD1 . ASN AA 1 16 ? 7.793 -11.734 3.653 1.0 68.72 ? 16 ASN AA OD1 1 16 . A ATOM 617 N ND2 . ASN AA 1 16 ? 7.354 -13.665 4.799 1.0 70.32 ? 16 ASN AA ND2 1 16 . A ATOM 618 N N . GLY AA 1 17 ? 11.079 -13.192 5.588 1.0 60.85 ? 17 GLY AA N 1 17 . A ATOM 619 C CA . GLY AA 1 17 ? 10.990 -12.658 6.940 1.0 59.85 ? 17 GLY AA CA 1 17 . A ATOM 620 C C . GLY AA 1 17 ? 12.006 -13.305 7.862 1.0 59.35 ? 17 GLY AA C 1 17 . A ATOM 621 O O . GLY AA 1 17 ? 12.572 -12.628 8.763 1.0 60.92 ? 17 GLY AA O 1 17 . A ATOM 622 N N . GLN AA 1 18 ? 12.242 -14.604 7.626 1.0 54.68 ? 18 GLN AA N 1 18 . A ATOM 623 C CA . GLN AA 1 18 ? 13.211 -15.365 8.397 1.0 49.07 ? 18 GLN AA CA 1 18 . A ATOM 624 C C . GLN AA 1 18 ? 14.501 -15.294 7.578 1.0 47.8 ? 18 GLN AA C 1 18 . A ATOM 625 O O . GLN AA 1 18 ? 14.826 -16.173 6.751 1.0 47.3 ? 18 GLN AA O 1 18 . A ATOM 626 C CB . GLN AA 1 18 ? 12.691 -16.767 8.640 1.0 47.09 ? 18 GLN AA CB 1 18 . A ATOM 627 C CG . GLN AA 1 18 ? 11.234 -16.788 9.225 1.0 46.09 ? 18 GLN AA CG 1 18 . A ATOM 628 C CD . GLN AA 1 18 ? 10.782 -18.168 9.730 1.0 46.53 ? 18 GLN AA CD 1 18 . A ATOM 629 O OE1 . GLN AA 1 18 ? 10.444 -19.079 8.949 1.0 48.08 ? 18 GLN AA OE1 1 18 . A ATOM 630 N NE2 . GLN AA 1 18 ? 10.767 -18.326 11.045 1.0 46.26 ? 18 GLN AA NE2 1 18 . A ATOM 631 N N . ASP AA 1 19 ? 15.163 -14.150 7.788 1.0 47.6 ? 19 ASP AA N 1 19 . A ATOM 632 C CA . ASP AA 1 19 ? 16.413 -13.742 7.150 1.0 49.39 ? 19 ASP AA CA 1 19 . A ATOM 633 C C . ASP AA 1 19 ? 17.636 -14.102 7.992 1.0 46.39 ? 19 ASP AA C 1 19 . A ATOM 634 O O . ASP AA 1 19 ? 18.790 -14.040 7.495 1.0 45.43 ? 19 ASP AA O 1 19 . A ATOM 635 C CB . ASP AA 1 19 ? 16.426 -12.224 6.811 1.0 54.58 ? 19 ASP AA CB 1 19 . A ATOM 636 C CG . ASP AA 1 19 ? 16.051 -11.285 8.009 1.0 60.55 ? 19 ASP AA CG 1 19 . A ATOM 637 O OD1 . ASP AA 1 19 ? 14.854 -11.212 8.400 1.0 61.98 ? 19 ASP AA OD1 1 19 . A ATOM 638 O OD2 . ASP AA 1 19 ? 16.943 -10.546 8.525 1.0 63.59 ? 19 ASP AA OD2 1 19 . A ATOM 639 N N . ILE AA 1 20 ? 17.360 -14.470 9.256 1.0 40.82 ? 20 ILE AA N 1 20 . A ATOM 640 C CA . ILE AA 1 20 ? 18.373 -14.792 10.260 1.0 34.86 ? 20 ILE AA CA 1 20 . A ATOM 641 C C . ILE AA 1 20 ? 18.337 -16.202 10.881 1.0 31.88 ? 20 ILE AA C 1 20 . A ATOM 642 O O . ILE AA 1 20 ? 17.266 -16.685 11.249 1.0 31.6 ? 20 ILE AA O 1 20 . A ATOM 643 C CB . ILE AA 1 20 ? 18.217 -13.815 11.425 1.0 33.62 ? 20 ILE AA CB 1 20 . A ATOM 644 C CG1 . ILE AA 1 20 ? 18.231 -12.364 10.950 1.0 32.73 ? 20 ILE AA CG1 1 20 . A ATOM 645 C CG2 . ILE AA 1 20 ? 19.229 -14.096 12.509 1.0 34.14 ? 20 ILE AA CG2 1 20 . A ATOM 646 C CD1 . ILE AA 1 20 ? 17.572 -11.418 11.952 1.0 31.33 ? 20 ILE AA CD1 1 20 . A ATOM 647 N N . CYS AA 1 21 ? 19.497 -16.840 11.037 1.0 29.77 ? 21 CYS AA N 1 21 . A ATOM 648 C CA . CYS AA 1 21 ? 19.560 -18.140 11.699 1.0 30.43 ? 21 CYS AA CA 1 21 . A ATOM 649 C C . CYS AA 1 21 ? 19.965 -18.039 13.204 1.0 29.65 ? 21 CYS AA C 1 21 . A ATOM 650 O O . CYS AA 1 21 ? 20.707 -17.138 13.602 1.0 27.36 ? 21 CYS AA O 1 21 . A ATOM 651 C CB . CYS AA 1 21 ? 20.646 -18.990 11.087 1.0 30.73 ? 21 CYS AA CB 1 21 . A ATOM 652 S SG . CYS AA 1 21 ? 20.549 -19.366 9.334 1.0 29.63 ? 21 CYS AA SG 1 21 . A ATOM 653 N N . PHE AA 1 22 ? 19.549 -18.990 14.025 1.0 28.89 ? 22 PHE AA N 1 22 . A ATOM 654 C CA . PHE AA 1 22 ? 20.030 -18.905 15.390 1.0 28.7 ? 22 PHE AA CA 1 22 . A ATOM 655 C C . PHE AA 1 22 ? 20.336 -20.233 16.026 1.0 27.23 ? 22 PHE AA C 1 22 . A ATOM 656 O O . PHE AA 1 22 ? 19.904 -21.318 15.596 1.0 25.46 ? 22 PHE AA O 1 22 . A ATOM 657 C CB . PHE AA 1 22 ? 19.117 -18.136 16.314 1.0 29.45 ? 22 PHE AA CB 1 22 . A ATOM 658 C CG . PHE AA 1 22 ? 17.860 -18.864 16.610 1.0 31.37 ? 22 PHE AA CG 1 22 . A ATOM 659 C CD1 . PHE AA 1 22 ? 17.823 -19.832 17.578 1.0 32.06 ? 22 PHE AA CD1 1 22 . A ATOM 660 C CD2 . PHE AA 1 22 ? 16.719 -18.602 15.881 1.0 34.92 ? 22 PHE AA CD2 1 22 . A ATOM 661 C CE1 . PHE AA 1 22 ? 16.684 -20.523 17.879 1.0 33.28 ? 22 PHE AA CE1 1 22 . A ATOM 662 C CE2 . PHE AA 1 22 ? 15.546 -19.278 16.164 1.0 36.55 ? 22 PHE AA CE2 1 22 . A ATOM 663 C CZ . PHE AA 1 22 ? 15.542 -20.238 17.179 1.0 35.59 ? 22 PHE AA CZ 1 22 . A ATOM 664 N N . LEU AA 1 23 ? 21.114 -20.122 17.088 1.0 25.77 ? 23 LEU AA N 1 23 . A ATOM 665 C CA . LEU AA 1 23 ? 21.453 -21.279 17.894 1.0 25.1 ? 23 LEU AA CA 1 23 . A ATOM 666 C C . LEU AA 1 23 ? 21.231 -20.847 19.345 1.0 27.93 ? 23 LEU AA C 1 23 . A ATOM 667 O O . LEU AA 1 23 ? 21.770 -19.845 19.843 1.0 27.96 ? 23 LEU AA O 1 23 . A ATOM 668 C CB . LEU AA 1 23 ? 22.842 -21.741 17.607 1.0 21.46 ? 23 LEU AA CB 1 23 . A ATOM 669 C CG . LEU AA 1 23 ? 23.311 -22.860 18.501 1.0 20.09 ? 23 LEU AA CG 1 23 . A ATOM 670 C CD1 . LEU AA 1 23 ? 22.698 -24.180 18.131 1.0 18.92 ? 23 LEU AA CD1 1 23 . A ATOM 671 C CD2 . LEU AA 1 23 ? 24.698 -22.944 18.054 1.0 20.77 ? 23 LEU AA CD2 1 23 . A ATOM 672 N N . LYS AA 1 24 ? 20.308 -21.501 20.001 1.0 30.18 ? 24 LYS AA N 1 24 . A ATOM 673 C CA . LYS AA 1 24 ? 20.071 -21.021 21.335 1.0 34.09 ? 24 LYS AA CA 1 24 . A ATOM 674 C C . LYS AA 1 24 ? 20.142 -22.121 22.334 1.0 34.53 ? 24 LYS AA C 1 24 . A ATOM 675 O O . LYS AA 1 24 ? 19.391 -23.112 22.235 1.0 32.85 ? 24 LYS AA O 1 24 . A ATOM 676 C CB . LYS AA 1 24 ? 18.711 -20.379 21.446 1.0 34.92 ? 24 LYS AA CB 1 24 . A ATOM 677 C CG . LYS AA 1 24 ? 18.217 -20.306 22.888 1.0 36.52 ? 24 LYS AA CG 1 24 . A ATOM 678 C CD . LYS AA 1 24 ? 16.871 -19.530 22.923 1.0 37.71 ? 24 LYS AA CD 1 24 . A ATOM 679 C CE . LYS AA 1 24 ? 15.715 -20.446 22.465 1.0 38.8 ? 24 LYS AA CE 1 24 . A ATOM 680 N NZ . LYS AA 1 24 ? 14.419 -19.701 22.220 1.0 39.26 ? 24 LYS AA NZ 1 24 . A ATOM 681 N N . ALA AA 1 25 ? 21.008 -21.907 23.318 1.0 35.39 ? 25 ALA AA N 1 25 . A ATOM 682 C CA . ALA AA 1 25 ? 21.185 -22.902 24.385 1.0 36.81 ? 25 ALA AA CA 1 25 . A ATOM 683 C C . ALA AA 1 25 ? 20.506 -22.491 25.677 1.0 41.45 ? 25 ALA AA C 1 25 . A ATOM 684 O O . ALA AA 1 25 ? 21.001 -21.623 26.414 1.0 43.82 ? 25 ALA AA O 1 25 . A ATOM 685 C CB . ALA AA 1 25 ? 22.618 -23.130 24.617 1.0 33.9 ? 25 ALA AA CB 1 25 . A ATOM 686 N N . GLN AA 1 26 ? 19.370 -23.071 26.003 1.0 43.2 ? 26 GLN AA N 1 26 . A ATOM 687 C CA . GLN AA 1 26 ? 18.876 -22.603 27.272 1.0 48.14 ? 26 GLN AA CA 1 26 . A ATOM 688 C C . GLN AA 1 26 ? 18.772 -23.601 28.430 1.0 47.01 ? 26 GLN AA C 1 26 . A ATOM 689 O O . GLN AA 1 26 ? 18.667 -24.827 28.209 1.0 46.42 ? 26 GLN AA O 1 26 . A ATOM 690 C CB . GLN AA 1 26 ? 17.627 -21.813 27.097 1.0 52.9 ? 26 GLN AA CB 1 26 . A ATOM 691 C CG . GLN AA 1 26 ? 16.442 -22.618 27.442 1.0 56.87 ? 26 GLN AA CG 1 26 . A ATOM 692 C CD . GLN AA 1 26 ? 15.244 -21.869 27.009 1.0 61.2 ? 26 GLN AA CD 1 26 . A ATOM 693 O OE1 . GLN AA 1 26 ? 14.192 -21.932 27.658 1.0 63.35 ? 26 GLN AA OE1 1 26 . A ATOM 694 N NE2 . GLN AA 1 26 ? 15.396 -21.084 25.921 1.0 62.33 ? 26 GLN AA NE2 1 26 . A ATOM 695 N N . CYS AA 1 27 ? 18.808 -23.056 29.656 1.0 45.9 ? 27 CYS AA N 1 27 . A ATOM 696 C CA . CYS AA 1 27 ? 18.754 -23.865 30.909 1.0 43.28 ? 27 CYS AA CA 1 27 . A ATOM 697 C C . CYS AA 1 27 ? 17.418 -24.056 31.645 1.0 41.17 ? 27 CYS AA C 1 27 . A ATOM 698 O O . CYS AA 1 27 ? 16.741 -23.091 31.985 1.0 38.43 ? 27 CYS AA O 1 27 . A ATOM 699 C CB . CYS AA 1 27 ? 19.696 -23.291 31.940 1.0 40.81 ? 27 CYS AA CB 1 27 . A ATOM 700 S SG . CYS AA 1 27 ? 21.437 -23.518 31.565 1.0 39.95 ? 27 CYS AA SG 1 27 . A ATOM 701 N N . ASP AA 1 28 ? 17.111 -25.322 31.947 1.0 42.44 ? 28 ASP AA N 1 28 . A ATOM 702 C CA . ASP AA 1 28 ? 15.942 -25.722 32.729 1.0 41.65 ? 28 ASP AA CA 1 28 . A ATOM 703 C C . ASP AA 1 28 ? 16.520 -25.777 34.155 1.0 44.82 ? 28 ASP AA C 1 28 . A ATOM 704 O O . ASP AA 1 28 ? 17.733 -25.573 34.360 1.0 45.42 ? 28 ASP AA O 1 28 . A ATOM 705 C CB . ASP AA 1 28 ? 15.513 -27.142 32.330 1.0 38.36 ? 28 ASP AA CB 1 28 . A ATOM 706 C CG . ASP AA 1 28 ? 16.702 -28.039 32.045 1.0 38.54 ? 28 ASP AA CG 1 28 . A ATOM 707 O OD1 . ASP AA 1 28 ? 17.822 -27.498 31.989 1.0 37.66 ? 28 ASP AA OD1 1 28 . A ATOM 708 O OD2 . ASP AA 1 28 ? 16.556 -29.268 31.801 1.0 39.76 ? 28 ASP AA OD2 1 28 . A ATOM 709 N N . LYS AA 1 29 ? 15.658 -26.092 35.125 1.0 46.42 ? 29 LYS AA N 1 29 . A ATOM 710 C CA . LYS AA 1 29 ? 16.011 -26.258 36.542 1.0 46.53 ? 29 LYS AA CA 1 29 . A ATOM 711 C C . LYS AA 1 29 ? 17.108 -27.352 36.614 1.0 46.32 ? 29 LYS AA C 1 29 . A ATOM 712 O O . LYS AA 1 29 ? 17.778 -27.561 37.658 1.0 48.26 ? 29 LYS AA O 1 29 . A ATOM 713 C CB . LYS AA 1 29 ? 14.738 -26.653 37.344 1.0 46.49 ? 29 LYS AA CB 1 29 . A ATOM 714 C CG . LYS AA 1 29 ? 14.932 -27.501 38.635 1.0 47.19 ? 29 LYS AA CG 1 29 . A ATOM 715 C CD . LYS AA 1 29 ? 13.630 -27.885 39.429 1.0 46.22 ? 29 LYS AA CD 1 29 . A ATOM 716 C CE . LYS AA 1 29 ? 12.478 -26.969 39.078 1.0 46.42 ? 29 LYS AA CE 1 29 . A ATOM 717 N NZ . LYS AA 1 29 ? 11.515 -26.730 40.152 1.0 46.95 ? 29 LYS AA NZ 1 29 . A ATOM 718 N N . PHE AA 1 30 ? 17.291 -28.090 35.518 1.0 41.84 ? 30 PHE AA N 1 30 . A ATOM 719 C CA . PHE AA 1 30 ? 18.289 -29.131 35.558 1.0 38.74 ? 30 PHE AA CA 1 30 . A ATOM 720 C C . PHE AA 1 30 ? 19.413 -28.899 34.593 1.0 36.8 ? 30 PHE AA C 1 30 . A ATOM 721 O O . PHE AA 1 30 ? 19.939 -29.854 34.051 1.0 37.01 ? 30 PHE AA O 1 30 . A ATOM 722 C CB . PHE AA 1 30 ? 17.640 -30.444 35.235 1.0 39.67 ? 30 PHE AA CB 1 30 . A ATOM 723 C CG . PHE AA 1 30 ? 16.611 -30.857 36.222 1.0 41.36 ? 30 PHE AA CG 1 30 . A ATOM 724 C CD1 . PHE AA 1 30 ? 15.828 -29.962 36.890 1.0 41.47 ? 30 PHE AA CD1 1 30 . A ATOM 725 C CD2 . PHE AA 1 30 ? 16.422 -32.161 36.479 1.0 43.92 ? 30 PHE AA CD2 1 30 . A ATOM 726 C CE1 . PHE AA 1 30 ? 14.908 -30.345 37.779 1.0 42.07 ? 30 PHE AA CE1 1 30 . A ATOM 727 C CE2 . PHE AA 1 30 ? 15.466 -32.564 37.375 1.0 44.11 ? 30 PHE AA CE2 1 30 . A ATOM 728 C CZ . PHE AA 1 30 ? 14.708 -31.635 38.016 1.0 43.11 ? 30 PHE AA CZ 1 30 . A ATOM 729 N N . CYS AA 1 31 ? 19.757 -27.643 34.348 1.0 36.49 ? 31 CYS AA N 1 31 . A ATOM 730 C CA . CYS AA 1 31 ? 20.821 -27.374 33.396 1.0 38.66 ? 31 CYS AA CA 1 31 . A ATOM 731 C C . CYS AA 1 31 ? 22.045 -28.114 33.789 1.0 40.73 ? 31 CYS AA C 1 31 . A ATOM 732 O O . CYS AA 1 31 ? 22.521 -28.918 33.006 1.0 42.36 ? 31 CYS AA O 1 31 . A ATOM 733 C CB . CYS AA 1 31 ? 21.141 -25.904 33.298 1.0 39.72 ? 31 CYS AA CB 1 31 . A ATOM 734 S SG . CYS AA 1 31 ? 21.818 -25.500 31.687 1.0 40.74 ? 31 CYS AA SG 1 31 . A ATOM 735 N N . SER AA 1 32 ? 22.483 -27.929 35.037 1.0 42.26 ? 32 SER AA N 1 32 . A ATOM 736 C CA . SER AA 1 32 ? 23.660 -28.682 35.556 1.0 41.59 ? 32 SER AA CA 1 32 . A ATOM 737 C C . SER AA 1 32 ? 23.781 -30.220 35.377 1.0 36.06 ? 32 SER AA C 1 32 . A ATOM 738 O O . SER AA 1 32 ? 24.873 -30.729 35.353 1.0 37.61 ? 32 SER AA O 1 32 . A ATOM 739 C CB . SER AA 1 32 ? 24.301 -28.116 36.865 1.0 42.09 ? 32 SER AA CB 1 32 . A ATOM 740 O OG . SER AA 1 32 ? 23.409 -28.209 37.973 1.0 41.18 ? 32 SER AA OG 1 32 . A ATOM 741 N N . ILE AA 1 33 ? 22.727 -30.990 35.221 1.0 30.34 ? 33 ILE AA N 1 33 . A ATOM 742 C CA . ILE AA 1 33 ? 23.020 -32.415 35.034 1.0 31.26 ? 33 ILE AA CA 1 33 . A ATOM 743 C C . ILE AA 1 33 ? 22.684 -32.966 33.625 1.0 28.5 ? 33 ILE AA C 1 33 . A ATOM 744 O O . ILE AA 1 33 ? 23.280 -33.950 33.153 1.0 23.42 ? 33 ILE AA O 1 33 . A ATOM 745 C CB . ILE AA 1 33 ? 22.218 -33.295 36.044 1.0 32.57 ? 33 ILE AA CB 1 33 . A ATOM 746 C CG1 . ILE AA 1 33 ? 22.280 -32.776 37.487 1.0 29.33 ? 33 ILE AA CG1 1 33 . A ATOM 747 C CG2 . ILE AA 1 33 ? 22.299 -34.796 35.712 1.0 32.21 ? 33 ILE AA CG2 1 33 . A ATOM 748 C CD1 . ILE AA 1 33 ? 21.072 -31.986 37.745 1.0 27.98 ? 33 ILE AA CD1 1 33 . A ATOM 749 N N . ARG AA 1 34 ? 21.638 -32.354 33.062 1.0 28.95 ? 34 ARG AA N 1 34 . A ATOM 750 C CA . ARG AA 1 34 ? 21.079 -32.652 31.752 1.0 28.21 ? 34 ARG AA CA 1 34 . A ATOM 751 C C . ARG AA 1 34 ? 21.938 -31.874 30.792 1.0 28.16 ? 34 ARG AA C 1 34 . A ATOM 752 O O . ARG AA 1 34 ? 22.681 -32.468 30.021 1.0 31.43 ? 34 ARG AA O 1 34 . A ATOM 753 C CB . ARG AA 1 34 ? 19.665 -32.136 31.671 1.0 28.19 ? 34 ARG AA CB 1 34 . A ATOM 754 C CG . ARG AA 1 34 ? 18.727 -33.180 32.145 1.0 29.87 ? 34 ARG AA CG 1 34 . A ATOM 755 C CD . ARG AA 1 34 ? 17.518 -32.518 32.670 1.0 34.58 ? 34 ARG AA CD 1 34 . A ATOM 756 N NE . ARG AA 1 34 ? 16.376 -33.340 32.263 1.0 40.83 ? 34 ARG AA NE 1 34 . A ATOM 757 C CZ . ARG AA 1 34 ? 15.467 -32.981 31.343 1.0 43.87 ? 34 ARG AA CZ 1 34 . A ATOM 758 N NH1 . ARG AA 1 34 ? 15.529 -31.775 30.735 1.0 43.84 ? 34 ARG AA NH1 1 34 . A ATOM 759 N NH2 . ARG AA 1 34 ? 14.480 -33.835 31.060 1.0 45.15 ? 34 ARG AA NH2 1 34 . A ATOM 760 N N . GLY AA 1 35 ? 21.904 -30.566 30.925 1.0 23.98 ? 35 GLY AA N 1 35 . A ATOM 761 C CA . GLY AA 1 35 ? 22.654 -29.696 30.076 1.0 20.63 ? 35 GLY AA CA 1 35 . A ATOM 762 C C . GLY AA 1 35 ? 21.588 -28.806 29.596 1.0 20.97 ? 35 GLY AA C 1 35 . A ATOM 763 O O . GLY AA 1 35 ? 20.401 -28.998 29.857 1.0 21.69 ? 35 GLY AA O 1 35 . A ATOM 764 N N . PRO AA 1 36 ? 22.019 -27.816 28.877 1.0 23.25 ? 36 PRO AA N 1 36 . A ATOM 765 C CA . PRO AA 1 36 ? 21.152 -26.844 28.268 1.0 25.32 ? 36 PRO AA CA 1 36 . A ATOM 766 C C . PRO AA 1 36 ? 20.378 -27.510 27.165 1.0 27.91 ? 36 PRO AA C 1 36 . A ATOM 767 O O . PRO AA 1 36 ? 20.731 -28.578 26.654 1.0 26.51 ? 36 PRO AA O 1 36 . A ATOM 768 C CB . PRO AA 1 36 ? 22.137 -25.899 27.616 1.0 23.9 ? 36 PRO AA CB 1 36 . A ATOM 769 C CG . PRO AA 1 36 ? 23.324 -26.758 27.342 1.0 22.81 ? 36 PRO AA CG 1 36 . A ATOM 770 C CD . PRO AA 1 36 ? 23.120 -28.134 27.988 1.0 23.38 ? 36 PRO AA CD 1 36 . A ATOM 771 N N . VAL AA 1 37 ? 19.270 -26.855 26.875 1.0 33.14 ? 37 VAL AA N 1 37 . A ATOM 772 C CA . VAL AA 1 37 ? 18.319 -27.207 25.822 1.0 35.3 ? 37 VAL AA CA 1 37 . A ATOM 773 C C . VAL AA 1 37 ? 18.587 -26.300 24.599 1.0 35.46 ? 37 VAL AA C 1 37 . A ATOM 774 O O . VAL AA 1 37 ? 18.369 -25.060 24.622 1.0 34.13 ? 37 VAL AA O 1 37 . A ATOM 775 C CB . VAL AA 1 37 ? 16.918 -26.937 26.307 1.0 35.48 ? 37 VAL AA CB 1 37 . A ATOM 776 C CG1 . VAL AA 1 37 ? 16.003 -26.764 25.147 1.0 35.34 ? 37 VAL AA CG1 1 37 . A ATOM 777 C CG2 . VAL AA 1 37 ? 16.516 -28.081 27.101 1.0 36.78 ? 37 VAL AA CG2 1 37 . A ATOM 778 N N . ILE AA 1 38 ? 19.101 -26.960 23.562 1.0 36.47 ? 38 ILE AA N 1 38 . A ATOM 779 C CA . ILE AA 1 38 ? 19.462 -26.337 22.294 1.0 35.22 ? 38 ILE AA CA 1 38 . A ATOM 780 C C . ILE AA 1 38 ? 18.302 -26.254 21.317 1.0 32.58 ? 38 ILE AA C 1 38 . A ATOM 781 O O . ILE AA 1 38 ? 17.388 -27.064 21.303 1.0 32.75 ? 38 ILE AA O 1 38 . A ATOM 782 C CB . ILE AA 1 38 ? 20.609 -27.082 21.653 1.0 34.61 ? 38 ILE AA CB 1 38 . A ATOM 783 C CG1 . ILE AA 1 38 ? 21.904 -26.747 22.414 1.0 33.41 ? 38 ILE AA CG1 1 38 . A ATOM 784 C CG2 . ILE AA 1 38 ? 20.630 -26.813 20.184 1.0 34.08 ? 38 ILE AA CG2 1 38 . A ATOM 785 C CD1 . ILE AA 1 38 ? 22.070 -27.587 23.603 1.0 32.32 ? 38 ILE AA CD1 1 38 . A ATOM 786 N N . GLU AA 1 39 ? 18.310 -25.186 20.564 1.0 30.43 ? 39 GLU AA N 1 39 . A ATOM 787 C CA . GLU AA 1 39 ? 17.302 -24.942 19.583 1.0 28.97 ? 39 GLU AA CA 1 39 . A ATOM 788 C C . GLU AA 1 39 ? 17.807 -24.028 18.454 1.0 25.44 ? 39 GLU AA C 1 39 . A ATOM 789 O O . GLU AA 1 39 ? 18.108 -22.863 18.640 1.0 22.64 ? 39 GLU AA O 1 39 . A ATOM 790 C CB . GLU AA 1 39 ? 16.102 -24.364 20.254 1.0 33.85 ? 39 GLU AA CB 1 39 . A ATOM 791 C CG . GLU AA 1 39 ? 15.429 -23.356 19.381 1.0 39.21 ? 39 GLU AA CG 1 39 . A ATOM 792 C CD . GLU AA 1 39 ? 14.060 -22.995 19.951 1.0 45.37 ? 39 GLU AA CD 1 39 . A ATOM 793 O OE1 . GLU AA 1 39 ? 13.943 -22.799 21.194 1.0 47.9 ? 39 GLU AA OE1 1 39 . A ATOM 794 O OE2 . GLU AA 1 39 ? 13.086 -22.895 19.170 1.0 47.92 ? 39 GLU AA OE2 1 39 . A ATOM 795 N N . GLN AA 1 40 ? 17.929 -24.589 17.263 1.0 27.03 ? 40 GLN AA N 1 40 . A ATOM 796 C CA . GLN AA 1 40 ? 18.375 -23.792 16.129 1.0 28.99 ? 40 GLN AA CA 1 40 . A ATOM 797 C C . GLN AA 1 40 ? 17.373 -23.770 14.974 1.0 29.88 ? 40 GLN AA C 1 40 . A ATOM 798 O O . GLN AA 1 40 ? 16.592 -24.684 14.818 1.0 30.15 ? 40 GLN AA O 1 40 . A ATOM 799 C CB . GLN AA 1 40 ? 19.698 -24.302 15.643 1.0 28.99 ? 40 GLN AA CB 1 40 . A ATOM 800 C CG . GLN AA 1 40 ? 20.347 -25.208 16.587 1.0 29.1 ? 40 GLN AA CG 1 40 . A ATOM 801 C CD . GLN AA 1 40 ? 20.872 -26.417 15.875 1.0 31.73 ? 40 GLN AA CD 1 40 . A ATOM 802 O OE1 . GLN AA 1 40 ? 22.083 -26.305 15.293 1.0 27.55 ? 40 GLN AA OE1 1 40 . A ATOM 803 N NE2 . GLN AA 1 40 ? 20.171 -27.471 15.834 1.0 35.19 ? 40 GLN AA NE2 1 40 . A ATOM 804 N N . GLY AA 1 41 ? 17.404 -22.739 14.146 1.0 30.44 ? 41 GLY AA N 1 41 . A ATOM 805 C CA . GLY AA 1 41 ? 16.491 -22.670 13.005 1.0 30.12 ? 41 GLY AA CA 1 41 . A ATOM 806 C C . GLY AA 1 41 ? 16.385 -21.245 12.466 1.0 29.33 ? 41 GLY AA C 1 41 . A ATOM 807 O O . GLY AA 1 41 ? 17.262 -20.378 12.699 1.0 26.41 ? 41 GLY AA O 1 41 . A ATOM 808 N N . CYS AA 1 42 ? 15.271 -21.006 11.779 1.0 30.97 ? 42 CYS AA N 1 42 . A ATOM 809 C CA . CYS AA 1 42 ? 15.036 -19.728 11.160 1.0 33.37 ? 42 CYS AA CA 1 42 . A ATOM 810 C C . CYS AA 1 42 ? 14.308 -18.667 11.987 1.0 31.99 ? 42 CYS AA C 1 42 . A ATOM 811 O O . CYS AA 1 42 ? 13.099 -18.758 12.210 1.0 32.93 ? 42 CYS AA O 1 42 . A ATOM 812 C CB . CYS AA 1 42 ? 14.279 -19.955 9.829 1.0 39.19 ? 42 CYS AA CB 1 42 . A ATOM 813 S SG . CYS AA 1 42 ? 15.059 -20.929 8.466 1.0 43.48 ? 42 CYS AA SG 1 42 . A ATOM 814 N N . VAL AA 1 43 ? 14.979 -17.604 12.388 1.0 30.59 ? 43 VAL AA N 1 43 . A ATOM 815 C CA . VAL AA 1 43 ? 14.216 -16.584 13.067 1.0 32.51 ? 43 VAL AA CA 1 43 . A ATOM 816 C C . VAL AA 1 43 ? 14.034 -15.310 12.181 1.0 37.07 ? 43 VAL AA C 1 43 . A ATOM 817 O O . VAL AA 1 43 ? 14.671 -15.200 11.145 1.0 38.19 ? 43 VAL AA O 1 43 . A ATOM 818 C CB . VAL AA 1 43 ? 14.682 -16.372 14.534 1.0 30.71 ? 43 VAL AA CB 1 43 . A ATOM 819 C CG1 . VAL AA 1 43 ? 16.104 -15.937 14.602 1.0 27.96 ? 43 VAL AA CG1 1 43 . A ATOM 820 C CG2 . VAL AA 1 43 ? 13.723 -15.451 15.262 1.0 29.81 ? 43 VAL AA CG2 1 43 . A ATOM 821 N N . ALA AA 1 44 ? 13.144 -14.377 12.533 1.0 37.59 ? 44 ALA AA N 1 44 . A ATOM 822 C CA . ALA AA 1 44 ? 12.926 -13.161 11.744 1.0 37.43 ? 44 ALA AA CA 1 44 . A ATOM 823 C C . ALA AA 1 44 ? 13.594 -12.026 12.380 1.0 40.72 ? 44 ALA AA C 1 44 . A ATOM 824 O O . ALA AA 1 44 ? 13.738 -10.963 11.771 1.0 42.91 ? 44 ALA AA O 1 44 . A ATOM 825 C CB . ALA AA 1 44 ? 11.535 -12.804 11.756 1.0 37.15 ? 44 ALA AA CB 1 44 . A ATOM 826 N N . THR AA 1 45 ? 13.872 -12.232 13.666 1.0 42.19 ? 45 THR AA N 1 45 . A ATOM 827 C CA . THR AA 1 45 ? 14.568 -11.290 14.528 1.0 40.76 ? 45 THR AA CA 1 45 . A ATOM 828 C C . THR AA 1 45 ? 15.507 -12.117 15.356 1.0 40.64 ? 45 THR AA C 1 45 . A ATOM 829 O O . THR AA 1 45 ? 15.444 -13.328 15.242 1.0 42.02 ? 45 THR AA O 1 45 . A ATOM 830 C CB . THR AA 1 45 ? 13.634 -10.792 15.532 1.0 39.99 ? 45 THR AA CB 1 45 . A ATOM 831 O OG1 . THR AA 1 45 ? 12.338 -11.308 15.230 1.0 39.23 ? 45 THR AA OG1 1 45 . A ATOM 832 C CG2 . THR AA 1 45 ? 13.679 -9.306 15.513 1.0 40.58 ? 45 THR AA CG2 1 45 . A ATOM 833 N N . CYS AA 1 46 ? 16.367 -11.492 16.166 1.0 38.84 ? 46 CYS AA N 1 46 . A ATOM 834 C CA . CYS AA 1 46 ? 17.232 -12.246 17.062 1.0 39.0 ? 46 CYS AA CA 1 46 . A ATOM 835 C C . CYS AA 1 46 ? 16.541 -12.117 18.416 1.0 38.56 ? 46 CYS AA C 1 46 . A ATOM 836 O O . CYS AA 1 46 ? 16.425 -11.019 18.953 1.0 38.31 ? 46 CYS AA O 1 46 . A ATOM 837 C CB . CYS AA 1 46 ? 18.639 -11.670 17.213 1.0 40.19 ? 46 CYS AA CB 1 46 . A ATOM 838 S SG . CYS AA 1 46 ? 19.797 -12.632 18.275 1.0 39.6 ? 46 CYS AA SG 1 46 . A ATOM 839 N N . PRO AA 1 47 ? 16.108 -13.247 18.983 1.0 38.29 ? 47 PRO AA N 1 47 . A ATOM 840 C CA . PRO AA 1 47 ? 15.484 -13.212 20.279 1.0 36.44 ? 47 PRO AA CA 1 47 . A ATOM 841 C C . PRO AA 1 47 ? 16.340 -12.557 21.358 1.0 33.88 ? 47 PRO AA C 1 47 . A ATOM 842 O O . PRO AA 1 47 ? 17.502 -12.820 21.551 1.0 30.56 ? 47 PRO AA O 1 47 . A ATOM 843 C CB . PRO AA 1 47 ? 15.233 -14.687 20.580 1.0 36.62 ? 47 PRO AA CB 1 47 . A ATOM 844 C CG . PRO AA 1 47 ? 15.888 -15.495 19.479 1.0 34.78 ? 47 PRO AA CG 1 47 . A ATOM 845 C CD . PRO AA 1 47 ? 16.726 -14.571 18.733 1.0 37.47 ? 47 PRO AA CD 1 47 . A ATOM 846 N N . GLN AA 1 48 ? 15.709 -11.629 22.026 1.0 38.24 ? 48 GLN AA N 1 48 . A ATOM 847 C CA . GLN AA 1 48 ? 16.293 -10.904 23.117 1.0 42.47 ? 48 GLN AA CA 1 48 . A ATOM 848 C C . GLN AA 1 48 ? 16.769 -11.959 24.104 1.0 42.48 ? 48 GLN AA C 1 48 . A ATOM 849 O O . GLN AA 1 48 ? 16.043 -12.954 24.406 1.0 40.12 ? 48 GLN AA O 1 48 . A ATOM 850 C CB . GLN AA 1 48 ? 15.180 -10.080 23.775 1.0 48.02 ? 48 GLN AA CB 1 48 . A ATOM 851 C CG . GLN AA 1 48 ? 14.743 -8.771 23.052 1.0 51.08 ? 48 GLN AA CG 1 48 . A ATOM 852 C CD . GLN AA 1 48 ? 15.897 -8.134 22.297 1.0 53.59 ? 48 GLN AA CD 1 48 . A ATOM 853 O OE1 . GLN AA 1 48 ? 16.808 -7.525 22.911 1.0 53.35 ? 48 GLN AA OE1 1 48 . A ATOM 854 N NE2 . GLN AA 1 48 ? 15.930 -8.319 20.957 1.0 53.9 ? 48 GLN AA NE2 1 48 . A ATOM 855 N N . PHE AA 1 49 ? 17.982 -11.690 24.606 1.0 43.74 ? 49 PHE AA N 1 49 . A ATOM 856 C CA . PHE AA 1 49 ? 18.762 -12.537 25.530 1.0 44.79 ? 49 PHE AA CA 1 49 . A ATOM 857 C C . PHE AA 1 49 ? 18.225 -12.757 26.982 1.0 48.93 ? 49 PHE AA C 1 49 . A ATOM 858 O O . PHE AA 1 49 ? 18.481 -11.942 27.881 1.0 51.73 ? 49 PHE AA O 1 49 . A ATOM 859 C CB . PHE AA 1 49 ? 20.232 -12.054 25.481 1.0 41.3 ? 49 PHE AA CB 1 49 . A ATOM 860 C CG . PHE AA 1 49 ? 21.240 -13.041 25.983 1.0 39.12 ? 49 PHE AA CG 1 49 . A ATOM 861 C CD1 . PHE AA 1 49 ? 21.584 -14.123 25.257 1.0 39.9 ? 49 PHE AA CD1 1 49 . A ATOM 862 C CD2 . PHE AA 1 49 ? 21.860 -12.869 27.187 1.0 40.73 ? 49 PHE AA CD2 1 49 . A ATOM 863 C CE1 . PHE AA 1 49 ? 22.559 -15.006 25.716 1.0 41.01 ? 49 PHE AA CE1 1 49 . A ATOM 864 C CE2 . PHE AA 1 49 ? 22.818 -13.771 27.692 1.0 40.8 ? 49 PHE AA CE2 1 49 . A ATOM 865 C CZ . PHE AA 1 49 ? 23.173 -14.833 26.959 1.0 40.7 ? 49 PHE AA CZ 1 49 . A ATOM 866 N N . ARG AA 1 50 ? 17.495 -13.865 27.194 1.0 49.71 ? 50 ARG AA N 1 50 . A ATOM 867 C CA . ARG AA 1 50 ? 16.891 -14.242 28.486 1.0 49.27 ? 50 ARG AA CA 1 50 . A ATOM 868 C C . ARG AA 1 50 ? 17.987 -14.674 29.408 1.0 49.73 ? 50 ARG AA C 1 50 . A ATOM 869 O O . ARG AA 1 50 ? 18.849 -15.423 28.989 1.0 51.13 ? 50 ARG AA O 1 50 . A ATOM 870 C CB . ARG AA 1 50 ? 15.881 -15.386 28.333 1.0 48.2 ? 50 ARG AA CB 1 50 . A ATOM 871 C CG . ARG AA 1 50 ? 14.472 -14.834 28.458 1.0 49.79 ? 50 ARG AA CG 1 50 . A ATOM 872 C CD . ARG AA 1 50 ? 13.418 -15.520 27.558 1.0 52.42 ? 50 ARG AA CD 1 50 . A ATOM 873 N NE . ARG AA 1 50 ? 13.615 -16.976 27.381 1.0 54.14 ? 50 ARG AA NE 1 50 . A ATOM 874 C CZ . ARG AA 1 50 ? 12.674 -17.803 26.922 1.0 54.92 ? 50 ARG AA CZ 1 50 . A ATOM 875 N NH1 . ARG AA 1 50 ? 11.463 -17.342 26.583 1.0 53.78 ? 50 ARG AA NH1 1 50 . A ATOM 876 N NH2 . ARG AA 1 50 ? 12.957 -19.097 26.797 1.0 55.88 ? 50 ARG AA NH2 1 50 . A ATOM 877 N N . SER AA 1 51 ? 17.948 -14.206 30.648 1.0 49.64 ? 51 SER AA N 1 51 . A ATOM 878 C CA . SER AA 1 51 ? 18.949 -14.517 31.681 1.0 49.33 ? 51 SER AA CA 1 51 . A ATOM 879 C C . SER AA 1 51 ? 19.282 -16.016 31.866 1.0 45.18 ? 51 SER AA C 1 51 . A ATOM 880 O O . SER AA 1 51 ? 20.414 -16.378 32.235 1.0 44.71 ? 51 SER AA O 1 51 . A ATOM 881 C CB . SER AA 1 51 ? 18.525 -13.886 33.026 1.0 53.28 ? 51 SER AA CB 1 51 . A ATOM 882 O OG . SER AA 1 51 ? 19.516 -12.997 33.567 1.0 55.99 ? 51 SER AA OG 1 51 . A ATOM 883 N N . ASN AA 1 52 ? 18.296 -16.867 31.594 1.0 42.18 ? 52 ASN AA N 1 52 . A ATOM 884 C CA . ASN AA 1 52 ? 18.440 -18.309 31.627 1.0 41.02 ? 52 ASN AA CA 1 52 . A ATOM 885 C C . ASN AA 1 52 ? 19.257 -18.953 30.486 1.0 35.61 ? 52 ASN AA C 1 52 . A ATOM 886 O O . ASN AA 1 52 ? 19.310 -20.188 30.379 1.0 37.48 ? 52 ASN AA O 1 52 . A ATOM 887 C CB . ASN AA 1 52 ? 17.035 -18.919 31.586 1.0 47.61 ? 52 ASN AA CB 1 52 . A ATOM 888 C CG . ASN AA 1 52 ? 16.262 -18.648 30.261 1.0 53.41 ? 52 ASN AA CG 1 52 . A ATOM 889 O OD1 . ASN AA 1 52 ? 16.805 -18.060 29.306 1.0 56.53 ? 52 ASN AA OD1 1 52 . A ATOM 890 N ND2 . ASN AA 1 52 ? 14.967 -19.064 30.223 1.0 54.09 ? 52 ASN AA ND2 1 52 . A ATOM 891 N N . TYR AA 1 53 ? 19.879 -18.191 29.597 1.0 29.78 ? 53 TYR AA N 1 53 . A ATOM 892 C CA . TYR AA 1 53 ? 20.579 -18.903 28.550 1.0 28.46 ? 53 TYR AA CA 1 53 . A ATOM 893 C C . TYR AA 1 53 ? 22.060 -19.025 28.788 1.0 28.38 ? 53 TYR AA C 1 53 . A ATOM 894 O O . TYR AA 1 53 ? 22.694 -18.152 29.355 1.0 31.52 ? 53 TYR AA O 1 53 . A ATOM 895 C CB . TYR AA 1 53 ? 20.402 -18.330 27.137 1.0 27.58 ? 53 TYR AA CB 1 53 . A ATOM 896 C CG . TYR AA 1 53 ? 19.050 -17.982 26.517 1.0 27.0 ? 53 TYR AA CG 1 53 . A ATOM 897 C CD1 . TYR AA 1 53 ? 17.985 -18.894 26.404 1.0 25.58 ? 53 TYR AA CD1 1 53 . A ATOM 898 C CD2 . TYR AA 1 53 ? 18.897 -16.768 25.894 1.0 25.81 ? 53 TYR AA CD2 1 53 . A ATOM 899 C CE1 . TYR AA 1 53 ? 16.787 -18.496 25.837 1.0 22.81 ? 53 TYR AA CE1 1 53 . A ATOM 900 C CE2 . TYR AA 1 53 ? 17.739 -16.439 25.224 1.0 24.23 ? 53 TYR AA CE2 1 53 . A ATOM 901 C CZ . TYR AA 1 53 ? 16.708 -17.280 25.235 1.0 22.13 ? 53 TYR AA CZ 1 53 . A ATOM 902 O OH . TYR AA 1 53 ? 15.601 -16.867 24.549 1.0 21.54 ? 53 TYR AA OH 1 53 . A ATOM 903 N N . ARG AA 1 54 ? 22.625 -20.092 28.264 1.0 24.77 ? 54 ARG AA N 1 54 . A ATOM 904 C CA . ARG AA 1 54 ? 23.994 -20.332 28.381 1.0 22.37 ? 54 ARG AA CA 1 54 . A ATOM 905 C C . ARG AA 1 54 ? 24.552 -19.675 27.150 1.0 25.45 ? 54 ARG AA C 1 54 . A ATOM 906 O O . ARG AA 1 54 ? 25.780 -19.489 27.042 1.0 27.65 ? 54 ARG AA O 1 54 . A ATOM 907 C CB . ARG AA 1 54 ? 24.132 -21.790 28.320 1.0 25.52 ? 54 ARG AA CB 1 54 . A ATOM 908 C CG . ARG AA 1 54 ? 25.509 -22.295 28.136 1.0 32.99 ? 54 ARG AA CG 1 54 . A ATOM 909 C CD . ARG AA 1 54 ? 26.381 -22.458 29.447 1.0 39.41 ? 54 ARG AA CD 1 54 . A ATOM 910 N NE . ARG AA 1 54 ? 25.735 -23.204 30.551 1.0 43.93 ? 54 ARG AA NE 1 54 . A ATOM 911 C CZ . ARG AA 1 54 ? 25.787 -24.528 30.737 1.0 45.32 ? 54 ARG AA CZ 1 54 . A ATOM 912 N NH1 . ARG AA 1 54 ? 26.423 -25.322 29.868 1.0 43.69 ? 54 ARG AA NH1 1 54 . A ATOM 913 N NH2 . ARG AA 1 54 ? 25.161 -25.050 31.798 1.0 46.65 ? 54 ARG AA NH2 1 54 . A ATOM 914 N N . SER AA 1 55 ? 23.673 -19.271 26.218 1.0 24.35 ? 55 SER AA N 1 55 . A ATOM 915 C CA . SER AA 1 55 ? 24.111 -18.578 24.981 1.0 22.71 ? 55 SER AA CA 1 55 . A ATOM 916 C C . SER AA 1 55 ? 23.194 -18.565 23.835 1.0 20.43 ? 55 SER AA C 1 55 . A ATOM 917 O O . SER AA 1 55 ? 22.485 -19.519 23.610 1.0 18.38 ? 55 SER AA O 1 55 . A ATOM 918 C CB . SER AA 1 55 ? 25.383 -19.113 24.354 1.0 21.37 ? 55 SER AA CB 1 55 . A ATOM 919 O OG . SER AA 1 55 ? 25.052 -20.369 23.902 1.0 19.0 ? 55 SER AA OG 1 55 . A ATOM 920 N N . LEU AA 1 56 ? 23.331 -17.445 23.107 1.0 22.76 ? 56 LEU AA N 1 56 . A ATOM 921 C CA . LEU AA 1 56 ? 22.620 -17.049 21.881 1.0 23.12 ? 56 LEU AA CA 1 56 . A ATOM 922 C C . LEU AA 1 56 ? 23.733 -16.789 20.852 1.0 27.1 ? 56 LEU AA C 1 56 . A ATOM 923 O O . LEU AA 1 56 ? 24.859 -16.443 21.205 1.0 27.93 ? 56 LEU AA O 1 56 . A ATOM 924 C CB . LEU AA 1 56 ? 21.838 -15.779 22.081 1.0 18.26 ? 56 LEU AA CB 1 56 . A ATOM 925 C CG . LEU AA 1 56 ? 20.389 -15.938 21.708 1.0 17.06 ? 56 LEU AA CG 1 56 . A ATOM 926 C CD1 . LEU AA 1 56 ? 19.861 -14.575 21.469 1.0 17.48 ? 56 LEU AA CD1 1 56 . A ATOM 927 C CD2 . LEU AA 1 56 ? 20.158 -16.791 20.499 1.0 16.57 ? 56 LEU AA CD2 1 56 . A ATOM 928 N N . LEU AA 1 57 ? 23.399 -17.083 19.599 1.0 28.81 ? 57 LEU AA N 1 57 . A ATOM 929 C CA . LEU AA 1 57 ? 24.239 -16.998 18.407 1.0 27.68 ? 57 LEU AA CA 1 57 . A ATOM 930 C C . LEU AA 1 57 ? 23.225 -16.618 17.359 1.0 30.99 ? 57 LEU AA C 1 57 . A ATOM 931 O O . LEU AA 1 57 ? 22.280 -17.412 17.122 1.0 31.34 ? 57 LEU AA O 1 57 . A ATOM 932 C CB . LEU AA 1 57 ? 24.657 -18.382 17.972 1.0 25.62 ? 57 LEU AA CB 1 57 . A ATOM 933 C CG . LEU AA 1 57 ? 25.524 -18.288 16.721 1.0 27.16 ? 57 LEU AA CG 1 57 . A ATOM 934 C CD1 . LEU AA 1 57 ? 26.469 -17.091 16.842 1.0 30.76 ? 57 LEU AA CD1 1 57 . A ATOM 935 C CD2 . LEU AA 1 57 ? 26.198 -19.527 16.104 1.0 24.93 ? 57 LEU AA CD2 1 57 . A ATOM 936 N N . CYS AA 1 58 ? 23.400 -15.443 16.754 1.0 32.11 ? 58 CYS AA N 1 58 . A ATOM 937 C CA . CYS AA 1 58 ? 22.495 -14.973 15.707 1.0 34.99 ? 58 CYS AA CA 1 58 . A ATOM 938 C C . CYS AA 1 58 ? 23.388 -14.543 14.561 1.0 34.48 ? 58 CYS AA C 1 58 . A ATOM 939 O O . CYS AA 1 58 ? 24.223 -13.640 14.737 1.0 33.44 ? 58 CYS AA O 1 58 . A ATOM 940 C CB . CYS AA 1 58 ? 21.700 -13.781 16.195 1.0 38.44 ? 58 CYS AA CB 1 58 . A ATOM 941 S SG . CYS AA 1 58 ? 20.185 -14.234 17.094 1.0 42.05 ? 58 CYS AA SG 1 58 . A ATOM 942 N N . CYS AA 1 59 ? 23.237 -15.217 13.416 1.0 34.51 ? 59 CYS AA N 1 59 . A ATOM 943 C CA . CYS AA 1 59 ? 24.054 -14.972 12.217 1.0 35.51 ? 59 CYS AA CA 1 59 . A ATOM 944 C C . CYS AA 1 59 ? 23.289 -15.019 10.861 1.0 37.66 ? 59 CYS AA C 1 59 . A ATOM 945 O O . CYS AA 1 59 ? 22.497 -15.964 10.624 1.0 39.07 ? 59 CYS AA O 1 59 . A ATOM 946 C CB . CYS AA 1 59 ? 25.166 -15.977 12.181 1.0 32.47 ? 59 CYS AA CB 1 59 . A ATOM 947 S SG . CYS AA 1 59 ? 24.428 -17.629 12.221 1.0 33.95 ? 59 CYS AA SG 1 59 . A ATOM 948 N N . THR AA 1 60 ? 23.532 -14.004 9.997 1.0 34.55 ? 60 THR AA N 1 60 . A ATOM 949 C CA . THR AA 1 60 ? 22.918 -13.831 8.663 1.0 28.91 ? 60 THR AA CA 1 60 . A ATOM 950 C C . THR AA 1 60 ? 23.890 -14.458 7.671 1.0 24.34 ? 60 THR AA C 1 60 . A ATOM 951 O O . THR AA 1 60 ? 24.775 -13.804 7.244 1.0 25.09 ? 60 THR AA O 1 60 . A ATOM 952 C CB . THR AA 1 60 ? 22.992 -12.384 8.333 1.0 30.52 ? 60 THR AA CB 1 60 . A ATOM 953 O OG1 . THR AA 1 60 ? 24.330 -11.999 8.539 1.0 32.11 ? 60 THR AA OG1 1 60 . A ATOM 954 C CG2 . THR AA 1 60 ? 22.181 -11.503 9.296 1.0 31.83 ? 60 THR AA CG2 1 60 . A ATOM 955 N N . THR AA 1 61 ? 23.753 -15.744 7.363 1.0 21.33 ? 61 THR AA N 1 61 . A ATOM 956 C CA . THR AA 1 61 ? 24.647 -16.469 6.500 1.0 24.51 ? 61 THR AA CA 1 61 . A ATOM 957 C C . THR AA 1 61 ? 24.062 -17.864 6.404 1.0 30.9 ? 61 THR AA C 1 61 . A ATOM 958 O O . THR AA 1 61 ? 23.405 -18.287 7.314 1.0 32.25 ? 61 THR AA O 1 61 . A ATOM 959 C CB . THR AA 1 61 ? 26.005 -16.588 7.087 1.0 24.78 ? 61 THR AA CB 1 61 . A ATOM 960 O OG1 . THR AA 1 61 ? 26.726 -15.375 6.845 1.0 23.89 ? 61 THR AA OG1 1 61 . A ATOM 961 C CG2 . THR AA 1 61 ? 26.770 -17.817 6.444 1.0 23.47 ? 61 THR AA CG2 1 61 . A ATOM 962 N N . ASP AA 1 62 ? 24.137 -18.588 5.300 1.0 36.04 ? 62 ASP AA N 1 62 . A ATOM 963 C CA . ASP AA 1 62 ? 23.345 -19.821 5.406 1.0 38.53 ? 62 ASP AA CA 1 62 . A ATOM 964 C C . ASP AA 1 62 ? 23.924 -20.827 6.326 1.0 39.11 ? 62 ASP AA C 1 62 . A ATOM 965 O O . ASP AA 1 62 ? 25.127 -20.997 6.321 1.0 39.74 ? 62 ASP AA O 1 62 . A ATOM 966 C CB . ASP AA 1 62 ? 22.794 -20.442 4.091 1.0 38.06 ? 62 ASP AA CB 1 62 . A ATOM 967 C CG . ASP AA 1 62 ? 22.282 -19.410 3.116 1.0 38.1 ? 62 ASP AA CG 1 62 . A ATOM 968 O OD1 . ASP AA 1 62 ? 21.589 -18.462 3.521 1.0 37.54 ? 62 ASP AA OD1 1 62 . A ATOM 969 O OD2 . ASP AA 1 62 ? 22.637 -19.527 1.929 1.0 39.69 ? 62 ASP AA OD2 1 62 . A ATOM 970 N N . ASN AA 1 63 ? 23.071 -21.479 7.104 1.0 39.62 ? 63 ASN AA N 1 63 . A ATOM 971 C CA . ASN AA 1 63 ? 23.562 -22.506 7.983 1.0 41.11 ? 63 ASN AA CA 1 63 . A ATOM 972 C C . ASN AA 1 63 ? 24.712 -21.959 8.867 1.0 39.42 ? 63 ASN AA C 1 63 . A ATOM 973 O O . ASN AA 1 63 ? 25.652 -22.685 9.257 1.0 37.16 ? 63 ASN AA O 1 63 . A ATOM 974 C CB . ASN AA 1 63 ? 24.090 -23.632 7.116 1.0 45.56 ? 63 ASN AA CB 1 63 . A ATOM 975 C CG . ASN AA 1 63 ? 22.993 -24.333 6.368 1.0 51.66 ? 63 ASN AA CG 1 63 . A ATOM 976 O OD1 . ASN AA 1 63 ? 23.071 -25.555 6.122 1.0 54.75 ? 63 ASN AA OD1 1 63 . A ATOM 977 N ND2 . ASN AA 1 63 ? 21.926 -23.588 6.009 1.0 53.52 ? 63 ASN AA ND2 1 63 . A ATOM 978 N N . CYS AA 1 64 ? 24.673 -20.659 9.154 1.0 36.89 ? 64 CYS AA N 1 64 . A ATOM 979 C CA . CYS AA 1 64 ? 25.743 -20.165 9.934 1.0 32.6 ? 64 CYS AA CA 1 64 . A ATOM 980 C C . CYS AA 1 64 ? 25.536 -20.590 11.383 1.0 32.93 ? 64 CYS AA C 1 64 . A ATOM 981 O O . CYS AA 1 64 ? 26.518 -20.767 12.094 1.0 33.23 ? 64 CYS AA O 1 64 . A ATOM 982 C CB . CYS AA 1 64 ? 25.833 -18.695 9.751 1.0 28.49 ? 64 CYS AA CB 1 64 . A ATOM 983 S SG . CYS AA 1 64 ? 24.277 -18.069 10.239 1.0 29.69 ? 64 CYS AA SG 1 64 . A ATOM 984 N N . ASN AA 1 65 ? 24.289 -20.843 11.776 1.0 32.28 ? 65 ASN AA N 1 65 . A ATOM 985 C CA . ASN AA 1 65 ? 23.987 -21.246 13.155 1.0 33.07 ? 65 ASN AA CA 1 65 . A ATOM 986 C C . ASN AA 1 65 ? 24.448 -22.653 13.533 1.0 38.54 ? 65 ASN AA C 1 65 . A ATOM 987 O O . ASN AA 1 65 ? 23.665 -23.582 13.721 1.0 37.87 ? 65 ASN AA O 1 65 . A ATOM 988 C CB . ASN AA 1 65 ? 22.513 -21.126 13.444 1.0 27.29 ? 65 ASN AA CB 1 65 . A ATOM 989 C CG . ASN AA 1 65 ? 21.778 -21.988 12.569 1.0 23.59 ? 65 ASN AA CG 1 65 . A ATOM 990 O OD1 . ASN AA 1 65 ? 22.332 -22.339 11.543 1.0 22.84 ? 65 ASN AA OD1 1 65 . A ATOM 991 N ND2 . ASN AA 1 65 ? 20.639 -22.464 12.975 1.0 22.29 ? 65 ASN AA ND2 1 65 . A ATOM 992 N N . HIS AA 1 66 ? 25.756 -22.794 13.677 1.0 44.9 ? 66 HIS AA N 1 66 . A ATOM 993 C CA . HIS AA 1 66 ? 26.354 -24.056 14.075 1.0 49.51 ? 66 HIS AA CA 1 66 . A ATOM 994 C C . HIS AA 1 66 ? 27.520 -23.722 14.950 1.0 49.34 ? 66 HIS AA C 1 66 . A ATOM 995 O O . HIS AA 1 66 ? 28.007 -22.575 14.726 1.0 47.93 ? 66 HIS AA O 1 66 . A ATOM 996 C CB . HIS AA 1 66 ? 26.875 -24.910 12.864 1.0 54.59 ? 66 HIS AA CB 1 66 . A ATOM 997 C CG . HIS AA 1 66 ? 28.178 -24.439 12.269 1.0 57.7 ? 66 HIS AA CG 1 66 . A ATOM 998 N ND1 . HIS AA 1 66 ? 28.237 -23.417 11.342 1.0 59.64 ? 66 HIS AA ND1 1 66 . A ATOM 999 C CD2 . HIS AA 1 66 ? 29.448 -24.894 12.414 1.0 57.66 ? 66 HIS AA CD2 1 66 . A ATOM 1000 C CE1 . HIS AA 1 66 ? 29.498 -23.219 10.986 1.0 59.91 ? 66 HIS AA CE1 1 66 . A ATOM 1001 N NE2 . HIS AA 1 66 ? 30.255 -24.092 11.631 1.0 58.88 ? 66 HIS AA NE2 1 66 . A ATOM 1002 O OXT . HIS AA 1 66 ? 27.846 -24.665 15.718 1.0 50.95 ? 66 HIS AA OXT 1 66 . A ATOM 1003 N N . ARG AB 1 1 ? 6.677 23.279 3.805 1.0 33.26 ? 1 ARG AB N 1 1 . A ATOM 1004 C CA . ARG AB 1 1 ? 6.715 24.716 3.549 1.0 35.16 ? 1 ARG AB CA 1 1 . A ATOM 1005 C C . ARG AB 1 1 ? 8.047 25.321 3.939 1.0 35.05 ? 1 ARG AB C 1 1 . A ATOM 1006 O O . ARG AB 1 1 ? 9.051 24.634 3.961 1.0 38.18 ? 1 ARG AB O 1 1 . A ATOM 1007 C CB . ARG AB 1 1 ? 5.594 25.364 4.386 1.0 38.85 ? 1 ARG AB CB 1 1 . A ATOM 1008 C CG . ARG AB 1 1 ? 5.078 24.564 5.583 1.0 40.56 ? 1 ARG AB CG 1 1 . A ATOM 1009 C CD . ARG AB 1 1 ? 4.082 25.421 6.320 1.0 42.72 ? 1 ARG AB CD 1 1 . A ATOM 1010 N NE . ARG AB 1 1 ? 2.707 25.317 5.814 1.0 46.89 ? 1 ARG AB NE 1 1 . A ATOM 1011 C CZ . ARG AB 1 1 ? 2.238 25.990 4.753 1.0 49.39 ? 1 ARG AB CZ 1 1 . A ATOM 1012 N NH1 . ARG AB 1 1 ? 3.063 26.807 4.065 1.0 49.8 ? 1 ARG AB NH1 1 1 . A ATOM 1013 N NH2 . ARG AB 1 1 ? 0.941 25.859 4.398 1.0 49.33 ? 1 ARG AB NH2 1 1 . A ATOM 1014 N N . THR AB 1 2 ? 8.089 26.595 4.287 1.0 34.88 ? 2 THR AB N 1 2 . A ATOM 1015 C CA . THR AB 1 2 ? 9.333 27.158 4.838 1.0 35.42 ? 2 THR AB CA 1 2 . A ATOM 1016 C C . THR AB 1 2 ? 8.919 27.746 6.166 1.0 31.19 ? 2 THR AB C 1 2 . A ATOM 1017 O O . THR AB 1 2 ? 7.790 28.186 6.339 1.0 29.4 ? 2 THR AB O 1 2 . A ATOM 1018 C CB . THR AB 1 2 ? 9.948 28.309 4.064 1.0 39.11 ? 2 THR AB CB 1 2 . A ATOM 1019 O OG1 . THR AB 1 2 ? 8.971 28.850 3.182 1.0 43.5 ? 2 THR AB OG1 1 2 . A ATOM 1020 C CG2 . THR AB 1 2 ? 11.117 27.839 3.280 1.0 39.88 ? 2 THR AB CG2 1 2 . A ATOM 1021 N N . CYS AB 1 3 ? 9.848 27.752 7.106 1.0 31.28 ? 3 CYS AB N 1 3 . A ATOM 1022 C CA . CYS AB 1 3 ? 9.604 28.283 8.454 1.0 27.97 ? 3 CYS AB CA 1 3 . A ATOM 1023 C C . CYS AB 1 3 ? 10.852 28.968 8.941 1.0 26.3 ? 3 CYS AB C 1 3 . A ATOM 1024 O O . CYS AB 1 3 ? 11.979 28.736 8.418 1.0 22.94 ? 3 CYS AB O 1 3 . A ATOM 1025 C CB . CYS AB 1 3 ? 9.429 27.114 9.337 1.0 27.05 ? 3 CYS AB CB 1 3 . A ATOM 1026 S SG . CYS AB 1 3 ? 7.966 26.140 8.937 1.0 27.84 ? 3 CYS AB SG 1 3 . A ATOM 1027 N N . LEU AB 1 4 ? 10.690 29.818 9.958 1.0 26.9 ? 4 LEU AB N 1 4 . A ATOM 1028 C CA . LEU AB 1 4 ? 11.907 30.430 10.524 1.0 25.03 ? 4 LEU AB CA 1 4 . A ATOM 1029 C C . LEU AB 1 4 ? 12.697 29.424 11.432 1.0 24.06 ? 4 LEU AB C 1 4 . A ATOM 1030 O O . LEU AB 1 4 ? 12.131 28.451 11.929 1.0 21.5 ? 4 LEU AB O 1 4 . A ATOM 1031 C CB . LEU AB 1 4 ? 11.556 31.742 11.181 1.0 25.9 ? 4 LEU AB CB 1 4 . A ATOM 1032 C CG . LEU AB 1 4 ? 11.736 32.922 10.205 1.0 31.57 ? 4 LEU AB CG 1 4 . A ATOM 1033 C CD1 . LEU AB 1 4 ? 13.198 33.263 9.716 1.0 31.19 ? 4 LEU AB CD1 1 4 . A ATOM 1034 C CD2 . LEU AB 1 4 ? 10.872 32.784 8.940 1.0 33.19 ? 4 LEU AB CD2 1 4 . A ATOM 1035 N N . ILE AB 1 5 ? 14.003 29.610 11.610 1.0 28.6 ? 5 ILE AB N 1 5 . A ATOM 1036 C CA . ILE AB 1 5 ? 14.796 28.766 12.546 1.0 33.21 ? 5 ILE AB CA 1 5 . A ATOM 1037 C C . ILE AB 1 5 ? 15.479 29.496 13.720 1.0 36.36 ? 5 ILE AB C 1 5 . A ATOM 1038 O O . ILE AB 1 5 ? 16.154 30.498 13.547 1.0 35.93 ? 5 ILE AB O 1 5 . A ATOM 1039 C CB . ILE AB 1 5 ? 15.819 27.773 11.979 1.0 31.13 ? 5 ILE AB CB 1 5 . A ATOM 1040 C CG1 . ILE AB 1 5 ? 16.952 28.451 11.240 1.0 33.46 ? 5 ILE AB CG1 1 5 . A ATOM 1041 C CG2 . ILE AB 1 5 ? 15.153 26.596 11.468 1.0 30.07 ? 5 ILE AB CG2 1 5 . A ATOM 1042 C CD1 . ILE AB 1 5 ? 18.270 27.730 11.398 1.0 35.94 ? 5 ILE AB CD1 1 5 . A ATOM 1043 N N . SER AB 1 6 ? 15.316 28.909 14.901 1.0 39.16 ? 6 SER AB N 1 6 . A ATOM 1044 C CA . SER AB 1 6 ? 15.818 29.440 16.168 1.0 38.77 ? 6 SER AB CA 1 6 . A ATOM 1045 C C . SER AB 1 6 ? 16.714 30.633 16.233 1.0 40.15 ? 6 SER AB C 1 6 . A ATOM 1046 O O . SER AB 1 6 ? 16.249 31.752 16.014 1.0 42.86 ? 6 SER AB O 1 6 . A ATOM 1047 C CB . SER AB 1 6 ? 16.145 28.416 17.298 1.0 36.98 ? 6 SER AB CB 1 6 . A ATOM 1048 O OG . SER AB 1 6 ? 15.432 27.189 17.252 1.0 35.88 ? 6 SER AB OG 1 6 . A ATOM 1049 N N . PRO AB 1 7 ? 17.977 30.344 16.557 1.0 39.41 ? 7 PRO AB N 1 7 . A ATOM 1050 C CA . PRO AB 1 7 ? 18.998 31.286 16.923 1.0 36.66 ? 7 PRO AB CA 1 7 . A ATOM 1051 C C . PRO AB 1 7 ? 18.884 32.439 16.072 1.0 37.33 ? 7 PRO AB C 1 7 . A ATOM 1052 O O . PRO AB 1 7 ? 18.426 33.471 16.553 1.0 40.9 ? 7 PRO AB O 1 7 . A ATOM 1053 C CB . PRO AB 1 7 ? 20.287 30.553 16.695 1.0 35.46 ? 7 PRO AB CB 1 7 . A ATOM 1054 C CG . PRO AB 1 7 ? 19.881 29.092 16.479 1.0 37.38 ? 7 PRO AB CG 1 7 . A ATOM 1055 C CD . PRO AB 1 7 ? 18.565 29.244 15.775 1.0 38.92 ? 7 PRO AB CD 1 7 . A ATOM 1056 N N . SER AB 1 8 ? 19.128 32.230 14.795 1.0 35.58 ? 8 SER AB N 1 8 . A ATOM 1057 C CA . SER AB 1 8 ? 19.143 33.313 13.804 1.0 33.57 ? 8 SER AB CA 1 8 . A ATOM 1058 C C . SER AB 1 8 ? 17.852 33.681 13.230 1.0 29.88 ? 8 SER AB C 1 8 . A ATOM 1059 O O . SER AB 1 8 ? 17.798 34.615 12.475 1.0 25.94 ? 8 SER AB O 1 8 . A ATOM 1060 C CB . SER AB 1 8 ? 19.869 32.798 12.596 1.0 34.49 ? 8 SER AB CB 1 8 . A ATOM 1061 O OG . SER AB 1 8 ? 19.131 31.656 12.197 1.0 36.91 ? 8 SER AB OG 1 8 . A ATOM 1062 N N . SER AB 1 9 ? 16.851 32.863 13.472 1.0 34.32 ? 9 SER AB N 1 9 . A ATOM 1063 C CA . SER AB 1 9 ? 15.538 33.113 12.878 1.0 37.33 ? 9 SER AB CA 1 9 . A ATOM 1064 C C . SER AB 1 9 ? 15.644 33.365 11.367 1.0 37.82 ? 9 SER AB C 1 9 . A ATOM 1065 O O . SER AB 1 9 ? 15.398 34.499 10.963 1.0 37.26 ? 9 SER AB O 1 9 . A ATOM 1066 C CB . SER AB 1 9 ? 14.913 34.350 13.545 1.0 37.33 ? 9 SER AB CB 1 9 . A ATOM 1067 O OG . SER AB 1 9 ? 14.191 33.949 14.686 1.0 36.81 ? 9 SER AB OG 1 9 . A ATOM 1068 N N . THR AB 1 10 ? 16.071 32.384 10.548 1.0 37.71 ? 10 THR AB N 1 10 . A ATOM 1069 C CA . THR AB 1 10 ? 16.172 32.597 9.075 1.0 34.08 ? 10 THR AB CA 1 10 . A ATOM 1070 C C . THR AB 1 10 ? 15.316 31.550 8.405 1.0 33.96 ? 10 THR AB C 1 10 . A ATOM 1071 O O . THR AB 1 10 ? 14.676 30.751 9.069 1.0 36.46 ? 10 THR AB O 1 10 . A ATOM 1072 C CB . THR AB 1 10 ? 17.537 32.324 8.537 1.0 30.11 ? 10 THR AB CB 1 10 . A ATOM 1073 O OG1 . THR AB 1 10 ? 17.675 30.912 8.548 1.0 35.16 ? 10 THR AB OG1 1 10 . A ATOM 1074 C CG2 . THR AB 1 10 ? 18.570 32.838 9.368 1.0 25.16 ? 10 THR AB CG2 1 10 . A ATOM 1075 N N . PRO AB 1 11 ? 15.294 31.488 7.085 1.0 32.01 ? 11 PRO AB N 1 11 . A ATOM 1076 C CA . PRO AB 1 11 ? 14.417 30.488 6.518 1.0 30.04 ? 11 PRO AB CA 1 11 . A ATOM 1077 C C . PRO AB 1 11 ? 15.045 29.119 6.206 1.0 28.77 ? 11 PRO AB C 1 11 . A ATOM 1078 O O . PRO AB 1 11 ? 16.241 28.985 5.853 1.0 27.14 ? 11 PRO AB O 1 11 . A ATOM 1079 C CB . PRO AB 1 11 ? 13.860 31.177 5.273 1.0 30.75 ? 11 PRO AB CB 1 11 . A ATOM 1080 C CG . PRO AB 1 11 ? 14.046 32.576 5.491 1.0 31.57 ? 11 PRO AB CG 1 11 . A ATOM 1081 C CD . PRO AB 1 11 ? 15.353 32.686 6.248 1.0 31.51 ? 11 PRO AB CD 1 11 . A ATOM 1082 N N . GLN AB 1 12 ? 14.227 28.083 6.353 1.0 27.47 ? 12 GLN AB N 1 12 . A ATOM 1083 C CA . GLN AB 1 12 ? 14.705 26.762 6.042 1.0 28.63 ? 12 GLN AB CA 1 12 . A ATOM 1084 C C . GLN AB 1 12 ? 13.458 26.110 5.580 1.0 32.0 ? 12 GLN AB C 1 12 . A ATOM 1085 O O . GLN AB 1 12 ? 12.358 26.518 6.001 1.0 33.33 ? 12 GLN AB O 1 12 . A ATOM 1086 C CB . GLN AB 1 12 ? 15.244 25.987 7.238 1.0 29.35 ? 12 GLN AB CB 1 12 . A ATOM 1087 C CG . GLN AB 1 12 ? 14.212 25.012 7.818 1.0 29.39 ? 12 GLN AB CG 1 12 . A ATOM 1088 C CD . GLN AB 1 12 ? 14.794 23.908 8.678 1.0 30.23 ? 12 GLN AB CD 1 12 . A ATOM 1089 O OE1 . GLN AB 1 12 ? 14.016 23.103 9.187 1.0 33.72 ? 12 GLN AB OE1 1 12 . A ATOM 1090 N NE2 . GLN AB 1 12 ? 16.125 23.828 8.807 1.0 26.9 ? 12 GLN AB NE2 1 12 . A ATOM 1091 N N . THR AB 1 13 ? 13.669 25.138 4.692 1.0 33.8 ? 13 THR AB N 1 13 . A ATOM 1092 C CA . THR AB 1 13 ? 12.656 24.397 3.974 1.0 33.97 ? 13 THR AB CA 1 13 . A ATOM 1093 C C . THR AB 1 13 ? 12.354 23.052 4.612 1.0 35.11 ? 13 THR AB C 1 13 . A ATOM 1094 O O . THR AB 1 13 ? 13.235 22.162 4.675 1.0 34.32 ? 13 THR AB O 1 13 . A ATOM 1095 C CB . THR AB 1 13 ? 13.259 24.120 2.592 1.0 34.35 ? 13 THR AB CB 1 13 . A ATOM 1096 O OG1 . THR AB 1 13 ? 13.877 25.312 2.115 1.0 33.3 ? 13 THR AB OG1 1 13 . A ATOM 1097 C CG2 . THR AB 1 13 ? 12.186 23.640 1.611 1.0 33.31 ? 13 THR AB CG2 1 13 . A ATOM 1098 N N . CYS AB 1 14 ? 11.116 22.908 5.071 1.0 37.22 ? 14 CYS AB N 1 14 . A ATOM 1099 C CA . CYS AB 1 14 ? 10.692 21.687 5.730 1.0 42.45 ? 14 CYS AB CA 1 14 . A ATOM 1100 C C . CYS AB 1 14 ? 10.793 20.452 4.838 1.0 47.61 ? 14 CYS AB C 1 14 . A ATOM 1101 O O . CYS AB 1 14 ? 10.948 20.545 3.620 1.0 49.29 ? 14 CYS AB O 1 14 . A ATOM 1102 C CB . CYS AB 1 14 ? 9.250 21.842 6.223 1.0 43.25 ? 14 CYS AB CB 1 14 . A ATOM 1103 S SG . CYS AB 1 14 ? 8.979 23.326 7.241 1.0 46.92 ? 14 CYS AB SG 1 14 . A ATOM 1104 N N . PRO AB 1 15 ? 10.687 19.283 5.434 1.0 50.77 ? 15 PRO AB N 1 15 . A ATOM 1105 C CA . PRO AB 1 15 ? 10.692 18.059 4.651 1.0 53.91 ? 15 PRO AB CA 1 15 . A ATOM 1106 C C . PRO AB 1 15 ? 9.229 17.571 4.596 1.0 56.51 ? 15 PRO AB C 1 15 . A ATOM 1107 O O . PRO AB 1 15 ? 8.335 18.269 5.088 1.0 57.31 ? 15 PRO AB O 1 15 . A ATOM 1108 C CB . PRO AB 1 15 ? 11.712 17.188 5.415 1.0 53.68 ? 15 PRO AB CB 1 15 . A ATOM 1109 C CG . PRO AB 1 15 ? 12.814 18.286 5.917 1.0 51.99 ? 15 PRO AB CG 1 15 . A ATOM 1110 C CD . PRO AB 1 15 ? 12.060 19.645 5.869 1.0 51.13 ? 15 PRO AB CD 1 15 . A ATOM 1111 N N . ASN AB 1 16 ? 8.934 16.462 3.922 1.0 58.64 ? 16 ASN AB N 1 16 . A ATOM 1112 C CA . ASN AB 1 16 ? 7.527 16.052 3.825 1.0 61.9 ? 16 ASN AB CA 1 16 . A ATOM 1113 C C . ASN AB 1 16 ? 7.085 15.781 5.219 1.0 62.5 ? 16 ASN AB C 1 16 . A ATOM 1114 O O . ASN AB 1 16 ? 7.839 15.165 5.975 1.0 64.81 ? 16 ASN AB O 1 16 . A ATOM 1115 C CB . ASN AB 1 16 ? 7.352 14.749 2.990 1.0 66.15 ? 16 ASN AB CB 1 16 . A ATOM 1116 C CG . ASN AB 1 16 ? 7.199 13.430 3.867 1.0 69.06 ? 16 ASN AB CG 1 16 . A ATOM 1117 O OD1 . ASN AB 1 16 ? 6.266 12.616 3.653 1.0 68.72 ? 16 ASN AB OD1 1 16 . A ATOM 1118 N ND2 . ASN AB 1 16 ? 8.157 13.201 4.799 1.0 70.32 ? 16 ASN AB ND2 1 16 . A ATOM 1119 N N . GLY AB 1 17 ? 5.885 16.191 5.588 1.0 60.85 ? 17 GLY AB N 1 17 . A ATOM 1120 C CA . GLY AB 1 17 ? 5.467 15.847 6.940 1.0 59.85 ? 17 GLY AB CA 1 17 . A ATOM 1121 C C . GLY AB 1 17 ? 5.520 17.050 7.862 1.0 59.35 ? 17 GLY AB C 1 17 . A ATOM 1122 O O . GLY AB 1 17 ? 4.650 17.202 8.763 1.0 60.92 ? 17 GLY AB O 1 17 . A ATOM 1123 N N . GLN AB 1 18 ? 6.526 17.904 7.626 1.0 54.68 ? 18 GLN AB N 1 18 . A ATOM 1124 C CA . GLN AB 1 18 ? 6.701 19.124 8.397 1.0 49.07 ? 18 GLN AB CA 1 18 . A ATOM 1125 C C . GLN AB 1 18 ? 5.994 20.205 7.578 1.0 47.8 ? 18 GLN AB C 1 18 . A ATOM 1126 O O . GLN AB 1 18 ? 6.593 20.926 6.751 1.0 47.3 ? 18 GLN AB O 1 18 . A ATOM 1127 C CB . GLN AB 1 18 ? 8.175 19.374 8.640 1.0 47.09 ? 18 GLN AB CB 1 18 . A ATOM 1128 C CG . GLN AB 1 18 ? 8.922 18.123 9.225 1.0 46.09 ? 18 GLN AB CG 1 18 . A ATOM 1129 C CD . GLN AB 1 18 ? 10.343 18.422 9.730 1.0 46.53 ? 18 GLN AB CD 1 18 . A ATOM 1130 O OE1 . GLN AB 1 18 ? 11.301 18.584 8.949 1.0 48.08 ? 18 GLN AB OE1 1 18 . A ATOM 1131 N NE2 . GLN AB 1 18 ? 10.487 18.488 11.045 1.0 46.26 ? 18 GLN AB NE2 1 18 . A ATOM 1132 N N . ASP AB 1 19 ? 4.673 20.206 7.788 1.0 47.6 ? 19 ASP AB N 1 19 . A ATOM 1133 C CA . ASP AB 1 19 ? 3.694 21.085 7.150 1.0 49.39 ? 19 ASP AB CA 1 19 . A ATOM 1134 C C . ASP AB 1 19 ? 3.395 22.324 7.992 1.0 46.39 ? 19 ASP AB C 1 19 . A ATOM 1135 O O . ASP AB 1 19 ? 2.764 23.293 7.495 1.0 45.43 ? 19 ASP AB O 1 19 . A ATOM 1136 C CB . ASP AB 1 19 ? 2.373 20.337 6.811 1.0 54.58 ? 19 ASP AB CB 1 19 . A ATOM 1137 C CG . ASP AB 1 19 ? 1.748 19.543 8.009 1.0 60.55 ? 19 ASP AB CG 1 19 . A ATOM 1138 O OD1 . ASP AB 1 19 ? 2.283 18.470 8.400 1.0 61.98 ? 19 ASP AB OD1 1 19 . A ATOM 1139 O OD2 . ASP AB 1 19 ? 0.661 19.946 8.525 1.0 63.59 ? 19 ASP AB OD2 1 19 . A ATOM 1140 N N . ILE AB 1 20 ? 3.851 22.269 9.256 1.0 40.82 ? 20 ILE AB N 1 20 . A ATOM 1141 C CA . ILE AB 1 20 ? 3.624 23.307 10.260 1.0 34.86 ? 20 ILE AB CA 1 20 . A ATOM 1142 C C . ILE AB 1 20 ? 4.863 23.981 10.881 1.0 31.88 ? 20 ILE AB C 1 20 . A ATOM 1143 O O . ILE AB 1 20 ? 5.817 23.295 11.249 1.0 31.6 ? 20 ILE AB O 1 20 . A ATOM 1144 C CB . ILE AB 1 20 ? 2.856 22.684 11.425 1.0 33.62 ? 20 ILE AB CB 1 20 . A ATOM 1145 C CG1 . ILE AB 1 20 ? 1.592 21.971 10.950 1.0 32.73 ? 20 ILE AB CG1 1 20 . A ATOM 1146 C CG2 . ILE AB 1 20 ? 2.593 23.701 12.509 1.0 34.14 ? 20 ILE AB CG2 1 20 . A ATOM 1147 C CD1 . ILE AB 1 20 ? 1.102 20.927 11.952 1.0 31.33 ? 20 ILE AB CD1 1 20 . A ATOM 1148 N N . CYS AB 1 21 ? 4.835 25.305 11.037 1.0 29.77 ? 21 CYS AB N 1 21 . A ATOM 1149 C CA . CYS AB 1 21 ? 5.930 26.009 11.699 1.0 30.43 ? 21 CYS AB CA 1 21 . A ATOM 1150 C C . CYS AB 1 21 ? 5.640 26.310 13.204 1.0 29.65 ? 21 CYS AB C 1 21 . A ATOM 1151 O O . CYS AB 1 21 ? 4.488 26.502 13.602 1.0 27.36 ? 21 CYS AB O 1 21 . A ATOM 1152 C CB . CYS AB 1 21 ? 6.123 27.375 11.087 1.0 30.73 ? 21 CYS AB CB 1 21 . A ATOM 1153 S SG . CYS AB 1 21 ? 6.497 27.479 9.334 1.0 29.63 ? 21 CYS AB SG 1 21 . A ATOM 1154 N N . PHE AB 1 22 ? 6.671 26.425 14.025 1.0 28.89 ? 22 PHE AB N 1 22 . A ATOM 1155 C CA . PHE AB 1 22 ? 6.357 26.799 15.390 1.0 28.7 ? 22 PHE AB CA 1 22 . A ATOM 1156 C C . PHE AB 1 22 ? 7.354 27.728 16.026 1.0 27.23 ? 22 PHE AB C 1 22 . A ATOM 1157 O O . PHE AB 1 22 ? 8.510 27.896 15.596 1.0 25.46 ? 22 PHE AB O 1 22 . A ATOM 1158 C CB . PHE AB 1 22 ? 6.148 25.624 16.314 1.0 29.45 ? 22 PHE AB CB 1 22 . A ATOM 1159 C CG . PHE AB 1 22 ? 7.407 24.899 16.610 1.0 31.37 ? 22 PHE AB CG 1 22 . A ATOM 1160 C CD1 . PHE AB 1 22 ? 8.263 25.351 17.578 1.0 32.06 ? 22 PHE AB CD1 1 22 . A ATOM 1161 C CD2 . PHE AB 1 22 ? 7.750 23.780 15.881 1.0 34.92 ? 22 PHE AB CD2 1 22 . A ATOM 1162 C CE1 . PHE AB 1 22 ? 9.431 24.710 17.879 1.0 33.28 ? 22 PHE AB CE1 1 22 . A ATOM 1163 C CE2 . PHE AB 1 22 ? 8.922 23.102 16.164 1.0 36.55 ? 22 PHE AB CE2 1 22 . A ATOM 1164 C CZ . PHE AB 1 22 ? 9.756 23.579 17.179 1.0 35.59 ? 22 PHE AB CZ 1 22 . A ATOM 1165 N N . LEU AB 1 23 ? 6.869 28.346 17.088 1.0 25.77 ? 23 LEU AB N 1 23 . A ATOM 1166 C CA . LEU AB 1 23 ? 7.702 29.218 17.894 1.0 25.1 ? 23 LEU AB CA 1 23 . A ATOM 1167 C C . LEU AB 1 23 ? 7.439 28.810 19.345 1.0 27.93 ? 23 LEU AB C 1 23 . A ATOM 1168 O O . LEU AB 1 23 ? 6.301 28.776 19.843 1.0 27.96 ? 23 LEU AB O 1 23 . A ATOM 1169 C CB . LEU AB 1 23 ? 7.407 30.652 17.607 1.0 21.46 ? 23 LEU AB CB 1 23 . A ATOM 1170 C CG . LEU AB 1 23 ? 8.142 31.618 18.501 1.0 20.09 ? 23 LEU AB CG 1 23 . A ATOM 1171 C CD1 . LEU AB 1 23 ? 9.592 31.747 18.131 1.0 18.92 ? 23 LEU AB CD1 1 23 . A ATOM 1172 C CD2 . LEU AB 1 23 ? 7.521 32.861 18.054 1.0 20.77 ? 23 LEU AB CD2 1 23 . A ATOM 1173 N N . LYS AB 1 24 ? 8.466 28.338 20.001 1.0 30.18 ? 24 LYS AB N 1 24 . A ATOM 1174 C CA . LYS AB 1 24 ? 8.169 27.893 21.335 1.0 34.09 ? 24 LYS AB CA 1 24 . A ATOM 1175 C C . LYS AB 1 24 ? 9.086 28.504 22.334 1.0 34.53 ? 24 LYS AB C 1 24 . A ATOM 1176 O O . LYS AB 1 24 ? 10.320 28.349 22.235 1.0 32.85 ? 24 LYS AB O 1 24 . A ATOM 1177 C CB . LYS AB 1 24 ? 8.293 26.394 21.446 1.0 34.92 ? 24 LYS AB CB 1 24 . A ATOM 1178 C CG . LYS AB 1 24 ? 8.477 25.929 22.888 1.0 36.52 ? 24 LYS AB CG 1 24 . A ATOM 1179 C CD . LYS AB 1 24 ? 8.478 24.376 22.923 1.0 37.71 ? 24 LYS AB CD 1 24 . A ATOM 1180 C CE . LYS AB 1 24 ? 9.849 23.833 22.465 1.0 38.8 ? 24 LYS AB CE 1 24 . A ATOM 1181 N NZ . LYS AB 1 24 ? 9.852 22.338 22.220 1.0 39.26 ? 24 LYS AB NZ 1 24 . A ATOM 1182 N N . ALA AB 1 25 ? 8.468 29.147 23.318 1.0 35.39 ? 25 ALA AB N 1 25 . A ATOM 1183 C CA . ALA AB 1 25 ? 9.241 29.798 24.385 1.0 36.81 ? 25 ALA AB CA 1 25 . A ATOM 1184 C C . ALA AB 1 25 ? 9.225 29.004 25.677 1.0 41.45 ? 25 ALA AB C 1 25 . A ATOM 1185 O O . ALA AB 1 25 ? 8.226 28.999 26.414 1.0 43.82 ? 25 ALA AB O 1 25 . A ATOM 1186 C CB . ALA AB 1 25 ? 8.722 31.153 24.617 1.0 33.9 ? 25 ALA AB CB 1 25 . A ATOM 1187 N N . GLN AB 1 26 ? 10.295 28.311 26.003 1.0 43.2 ? 26 GLN AB N 1 26 . A ATOM 1188 C CA . GLN AB 1 26 ? 10.137 27.648 27.272 1.0 48.14 ? 26 GLN AB CA 1 26 . A ATOM 1189 C C . GLN AB 1 26 ? 11.053 28.057 28.430 1.0 47.01 ? 26 GLN AB C 1 26 . A ATOM 1190 O O . GLN AB 1 26 ? 12.167 28.580 28.209 1.0 46.42 ? 26 GLN AB O 1 26 . A ATOM 1191 C CB . GLN AB 1 26 ? 10.077 26.172 27.097 1.0 52.9 ? 26 GLN AB CB 1 26 . A ATOM 1192 C CG . GLN AB 1 26 ? 11.367 25.548 27.442 1.0 56.87 ? 26 GLN AB CG 1 26 . A ATOM 1193 C CD . GLN AB 1 26 ? 11.317 24.136 27.009 1.0 61.2 ? 26 GLN AB CD 1 26 . A ATOM 1194 O OE1 . GLN AB 1 26 ? 11.898 23.257 27.658 1.0 63.35 ? 26 GLN AB OE1 1 26 . A ATOM 1195 N NE2 . GLN AB 1 26 ? 10.561 23.875 25.921 1.0 62.33 ? 26 GLN AB NE2 1 26 . A ATOM 1196 N N . CYS AB 1 27 ? 10.563 27.816 29.656 1.0 45.9 ? 27 CYS AB N 1 27 . A ATOM 1197 C CA . CYS AB 1 27 ? 11.291 28.174 30.909 1.0 43.28 ? 27 CYS AB CA 1 27 . A ATOM 1198 C C . CYS AB 1 27 ? 12.124 27.112 31.645 1.0 41.17 ? 27 CYS AB C 1 27 . A ATOM 1199 O O . CYS AB 1 27 ? 11.627 26.044 31.985 1.0 38.43 ? 27 CYS AB O 1 27 . A ATOM 1200 C CB . CYS AB 1 27 ? 10.323 28.703 31.940 1.0 40.81 ? 27 CYS AB CB 1 27 . A ATOM 1201 S SG . CYS AB 1 27 ? 9.649 30.324 31.565 1.0 39.95 ? 27 CYS AB SG 1 27 . A ATOM 1202 N N . ASP AB 1 28 ? 13.374 27.479 31.947 1.0 42.44 ? 28 ASP AB N 1 28 . A ATOM 1203 C CA . ASP AB 1 28 ? 14.305 26.667 32.729 1.0 41.65 ? 28 ASP AB CA 1 28 . A ATOM 1204 C C . ASP AB 1 28 ? 14.063 27.195 34.155 1.0 44.82 ? 28 ASP AB C 1 28 . A ATOM 1205 O O . ASP AB 1 28 ? 13.280 28.144 34.360 1.0 45.42 ? 28 ASP AB O 1 28 . A ATOM 1206 C CB . ASP AB 1 28 ? 15.749 27.006 32.330 1.0 38.36 ? 28 ASP AB CB 1 28 . A ATOM 1207 C CG . ASP AB 1 28 ? 15.931 28.484 32.045 1.0 38.54 ? 28 ASP AB CG 1 28 . A ATOM 1208 O OD1 . ASP AB 1 28 ? 14.903 29.183 31.989 1.0 37.66 ? 28 ASP AB OD1 1 28 . A ATOM 1209 O OD2 . ASP AB 1 28 ? 17.069 28.972 31.801 1.0 39.76 ? 28 ASP AB OD2 1 28 . A ATOM 1210 N N . LYS AB 1 29 ? 14.767 26.606 35.125 1.0 46.42 ? 29 LYS AB N 1 29 . A ATOM 1211 C CA . LYS AB 1 29 ? 14.735 26.995 36.542 1.0 46.53 ? 29 LYS AB CA 1 29 . A ATOM 1212 C C . LYS AB 1 29 ? 15.133 28.492 36.614 1.0 46.32 ? 29 LYS AB C 1 29 . A ATOM 1213 O O . LYS AB 1 29 ? 14.980 29.177 37.658 1.0 48.26 ? 29 LYS AB O 1 29 . A ATOM 1214 C CB . LYS AB 1 29 ? 15.713 26.090 37.344 1.0 46.49 ? 29 LYS AB CB 1 29 . A ATOM 1215 C CG . LYS AB 1 29 ? 16.351 26.682 38.635 1.0 47.19 ? 29 LYS AB CG 1 29 . A ATOM 1216 C CD . LYS AB 1 29 ? 17.334 25.747 39.429 1.0 46.22 ? 29 LYS AB CD 1 29 . A ATOM 1217 C CE . LYS AB 1 29 ? 17.117 24.291 39.078 1.0 46.42 ? 29 LYS AB CE 1 29 . A ATOM 1218 N NZ . LYS AB 1 29 ? 17.391 23.337 40.152 1.0 46.95 ? 29 LYS AB NZ 1 29 . A ATOM 1219 N N . PHE AB 1 30 ? 15.681 29.020 35.518 1.0 41.84 ? 30 PHE AB N 1 30 . A ATOM 1220 C CA . PHE AB 1 30 ? 16.084 30.404 35.558 1.0 38.74 ? 30 PHE AB CA 1 30 . A ATOM 1221 C C . PHE AB 1 30 ? 15.321 31.262 34.593 1.0 36.8 ? 30 PHE AB C 1 30 . A ATOM 1222 O O . PHE AB 1 30 ? 15.885 32.195 34.051 1.0 37.01 ? 30 PHE AB O 1 30 . A ATOM 1223 C CB . PHE AB 1 30 ? 17.545 30.499 35.235 1.0 39.67 ? 30 PHE AB CB 1 30 . A ATOM 1224 C CG . PHE AB 1 30 ? 18.417 29.814 36.222 1.0 41.36 ? 30 PHE AB CG 1 30 . A ATOM 1225 C CD1 . PHE AB 1 30 ? 18.034 28.688 36.890 1.0 41.47 ? 30 PHE AB CD1 1 30 . A ATOM 1226 C CD2 . PHE AB 1 30 ? 19.641 30.302 36.479 1.0 43.92 ? 30 PHE AB CD2 1 30 . A ATOM 1227 C CE1 . PHE AB 1 30 ? 18.825 28.083 37.779 1.0 42.07 ? 30 PHE AB CE1 1 30 . A ATOM 1228 C CE2 . PHE AB 1 30 ? 20.468 29.676 37.375 1.0 44.11 ? 30 PHE AB CE2 1 30 . A ATOM 1229 C CZ . PHE AB 1 30 ? 20.043 28.555 38.016 1.0 43.11 ? 30 PHE AB CZ 1 30 . A ATOM 1230 N N . CYS AB 1 31 ? 14.061 30.932 34.348 1.0 36.49 ? 31 CYS AB N 1 31 . A ATOM 1231 C CA . CYS AB 1 31 ? 13.296 31.719 33.396 1.0 38.66 ? 31 CYS AB CA 1 31 . A ATOM 1232 C C . CYS AB 1 31 ? 13.325 33.149 33.789 1.0 40.73 ? 31 CYS AB C 1 31 . A ATOM 1233 O O . CYS AB 1 31 ? 13.783 33.963 33.006 1.0 42.36 ? 31 CYS AB O 1 31 . A ATOM 1234 C CB . CYS AB 1 31 ? 11.863 31.261 33.298 1.0 39.72 ? 31 CYS AB CB 1 31 . A ATOM 1235 S SG . CYS AB 1 31 ? 11.175 31.645 31.687 1.0 40.74 ? 31 CYS AB SG 1 31 . A ATOM 1236 N N . SER AB 1 32 ? 12.946 33.435 35.037 1.0 42.26 ? 32 SER AB N 1 32 . A ATOM 1237 C CA . SER AB 1 32 ? 13.009 34.831 35.556 1.0 41.59 ? 32 SER AB CA 1 32 . A ATOM 1238 C C . SER AB 1 32 ? 14.281 35.705 35.377 1.0 36.06 ? 32 SER AB C 1 32 . A ATOM 1239 O O . SER AB 1 32 ? 14.175 36.905 35.353 1.0 37.61 ? 32 SER AB O 1 32 . A ATOM 1240 C CB . SER AB 1 32 ? 12.199 35.103 36.865 1.0 42.09 ? 32 SER AB CB 1 32 . A ATOM 1241 O OG . SER AB 1 32 ? 12.725 34.377 37.973 1.0 41.18 ? 32 SER AB OG 1 32 . A ATOM 1242 N N . ILE AB 1 33 ? 15.474 35.177 35.221 1.0 30.34 ? 33 ILE AB N 1 33 . A ATOM 1243 C CA . ILE AB 1 33 ? 16.562 36.144 35.034 1.0 31.26 ? 33 ILE AB CA 1 33 . A ATOM 1244 C C . ILE AB 1 33 ? 17.208 36.128 33.625 1.0 28.5 ? 33 ILE AB C 1 33 . A ATOM 1245 O O . ILE AB 1 33 ? 17.762 37.136 33.153 1.0 23.42 ? 33 ILE AB O 1 33 . A ATOM 1246 C CB . ILE AB 1 33 ? 17.725 35.889 36.044 1.0 32.57 ? 33 ILE AB CB 1 33 . A ATOM 1247 C CG1 . ILE AB 1 33 ? 17.245 35.683 37.487 1.0 29.33 ? 33 ILE AB CG1 1 33 . A ATOM 1248 C CG2 . ILE AB 1 33 ? 18.985 36.709 35.712 1.0 32.21 ? 33 ILE AB CG2 1 33 . A ATOM 1249 C CD1 . ILE AB 1 33 ? 17.165 34.242 37.745 1.0 27.98 ? 33 ILE AB CD1 1 33 . A ATOM 1250 N N . ARG AB 1 34 ? 17.200 34.916 33.062 1.0 28.95 ? 34 ARG AB N 1 34 . A ATOM 1251 C CA . ARG AB 1 34 ? 17.738 34.581 31.752 1.0 28.21 ? 34 ARG AB CA 1 34 . A ATOM 1252 C C . ARG AB 1 34 ? 16.635 34.936 30.792 1.0 28.16 ? 34 ARG AB C 1 34 . A ATOM 1253 O O . ARG AB 1 34 ? 16.778 35.876 30.021 1.0 31.43 ? 34 ARG AB O 1 34 . A ATOM 1254 C CB . ARG AB 1 34 ? 17.998 33.099 31.671 1.0 28.19 ? 34 ARG AB CB 1 34 . A ATOM 1255 C CG . ARG AB 1 34 ? 19.371 32.808 32.145 1.0 29.87 ? 34 ARG AB CG 1 34 . A ATOM 1256 C CD . ARG AB 1 34 ? 19.402 31.430 32.670 1.0 34.58 ? 34 ARG AB CD 1 34 . A ATOM 1257 N NE . ARG AB 1 34 ? 20.685 30.852 32.263 1.0 40.83 ? 34 ARG AB NE 1 34 . A ATOM 1258 C CZ . ARG AB 1 34 ? 20.829 29.885 31.343 1.0 43.87 ? 34 ARG AB CZ 1 34 . A ATOM 1259 N NH1 . ARG AB 1 34 ? 19.754 29.336 30.735 1.0 43.84 ? 34 ARG AB NH1 1 34 . A ATOM 1260 N NH2 . ARG AB 1 34 ? 22.062 29.458 31.060 1.0 45.15 ? 34 ARG AB NH2 1 34 . A ATOM 1261 N N . GLY AB 1 35 ? 15.519 34.252 30.925 1.0 23.98 ? 35 GLY AB N 1 35 . A ATOM 1262 C CA . GLY AB 1 35 ? 14.391 34.467 30.076 1.0 20.63 ? 35 GLY AB CA 1 35 . A ATOM 1263 C C . GLY AB 1 35 ? 14.153 33.099 29.596 1.0 20.97 ? 35 GLY AB C 1 35 . A ATOM 1264 O O . GLY AB 1 35 ? 14.913 32.167 29.857 1.0 21.69 ? 35 GLY AB O 1 35 . A ATOM 1265 N N . PRO AB 1 36 ? 13.080 32.977 28.877 1.0 23.25 ? 36 PRO AB N 1 36 . A ATOM 1266 C CA . PRO AB 1 36 ? 12.671 31.740 28.268 1.0 25.32 ? 36 PRO AB CA 1 36 . A ATOM 1267 C C . PRO AB 1 36 ? 13.636 31.403 27.165 1.0 27.91 ? 36 PRO AB C 1 36 . A ATOM 1268 O O . PRO AB 1 36 ? 14.384 32.242 26.654 1.0 26.51 ? 36 PRO AB O 1 36 . A ATOM 1269 C CB . PRO AB 1 36 ? 11.361 32.121 27.616 1.0 23.9 ? 36 PRO AB CB 1 36 . A ATOM 1270 C CG . PRO AB 1 36 ? 11.511 33.578 27.342 1.0 22.81 ? 36 PRO AB CG 1 36 . A ATOM 1271 C CD . PRO AB 1 36 ? 12.805 34.089 27.988 1.0 23.38 ? 36 PRO AB CD 1 36 . A ATOM 1272 N N . VAL AB 1 37 ? 13.622 30.116 26.875 1.0 33.14 ? 37 VAL AB N 1 37 . A ATOM 1273 C CA . VAL AB 1 37 ? 14.402 29.468 25.822 1.0 35.3 ? 37 VAL AB CA 1 37 . A ATOM 1274 C C . VAL AB 1 37 ? 13.483 29.247 24.599 1.0 35.46 ? 37 VAL AB C 1 37 . A ATOM 1275 O O . VAL AB 1 37 ? 12.518 28.438 24.622 1.0 34.13 ? 37 VAL AB O 1 37 . A ATOM 1276 C CB . VAL AB 1 37 ? 14.869 28.120 26.307 1.0 35.48 ? 37 VAL AB CB 1 37 . A ATOM 1277 C CG1 . VAL AB 1 37 ? 15.177 27.241 25.147 1.0 35.34 ? 37 VAL AB CG1 1 37 . A ATOM 1278 C CG2 . VAL AB 1 37 ? 16.061 28.344 27.101 1.0 36.78 ? 37 VAL AB CG2 1 37 . A ATOM 1279 N N . ILE AB 1 38 ? 13.797 30.022 23.562 1.0 36.47 ? 38 ILE AB N 1 38 . A ATOM 1280 C CA . ILE AB 1 38 ? 13.078 30.023 22.294 1.0 35.22 ? 38 ILE AB CA 1 38 . A ATOM 1281 C C . ILE AB 1 38 ? 13.586 28.977 21.317 1.0 32.58 ? 38 ILE AB C 1 38 . A ATOM 1282 O O . ILE AB 1 38 ? 14.744 28.591 21.303 1.0 32.75 ? 38 ILE AB O 1 38 . A ATOM 1283 C CB . ILE AB 1 38 ? 13.149 31.389 21.653 1.0 34.61 ? 38 ILE AB CB 1 38 . A ATOM 1284 C CG1 . ILE AB 1 38 ? 12.212 32.343 22.414 1.0 33.41 ? 38 ILE AB CG1 1 38 . A ATOM 1285 C CG2 . ILE AB 1 38 ? 12.906 31.273 20.184 1.0 34.08 ? 38 ILE AB CG2 1 38 . A ATOM 1286 C CD1 . ILE AB 1 38 ? 12.856 32.907 23.603 1.0 32.32 ? 38 ILE AB CD1 1 38 . A ATOM 1287 N N . GLU AB 1 39 ? 12.657 28.450 20.564 1.0 30.43 ? 39 GLU AB N 1 39 . A ATOM 1288 C CA . GLU AB 1 39 ? 12.949 27.455 19.583 1.0 28.97 ? 39 GLU AB CA 1 39 . A ATOM 1289 C C . GLU AB 1 39 ? 11.905 27.435 18.454 1.0 25.44 ? 39 GLU AB C 1 39 . A ATOM 1290 O O . GLU AB 1 39 ? 10.746 27.113 18.640 1.0 22.64 ? 39 GLU AB O 1 39 . A ATOM 1291 C CB . GLU AB 1 39 ? 13.049 26.127 20.254 1.0 33.85 ? 39 GLU AB CB 1 39 . A ATOM 1292 C CG . GLU AB 1 39 ? 12.512 25.040 19.381 1.0 39.21 ? 39 GLU AB CG 1 39 . A ATOM 1293 C CD . GLU AB 1 39 ? 12.884 23.674 19.951 1.0 45.37 ? 39 GLU AB CD 1 39 . A ATOM 1294 O OE1 . GLU AB 1 39 ? 12.773 23.474 21.194 1.0 47.9 ? 39 GLU AB OE1 1 39 . A ATOM 1295 O OE2 . GLU AB 1 39 ? 13.285 22.780 19.170 1.0 47.92 ? 39 GLU AB OE2 1 39 . A ATOM 1296 N N . GLN AB 1 40 ? 12.330 27.822 17.263 1.0 27.03 ? 40 GLN AB N 1 40 . A ATOM 1297 C CA . GLN AB 1 40 ? 11.417 27.809 16.129 1.0 28.99 ? 40 GLN AB CA 1 40 . A ATOM 1298 C C . GLN AB 1 40 ? 11.899 26.930 14.974 1.0 29.88 ? 40 GLN AB C 1 40 . A ATOM 1299 O O . GLN AB 1 40 ? 13.081 26.711 14.818 1.0 30.15 ? 40 GLN AB O 1 40 . A ATOM 1300 C CB . GLN AB 1 40 ? 11.197 29.210 15.643 1.0 28.99 ? 40 GLN AB CB 1 40 . A ATOM 1301 C CG . GLN AB 1 40 ? 11.657 30.225 16.587 1.0 29.1 ? 40 GLN AB CG 1 40 . A ATOM 1302 C CD . GLN AB 1 40 ? 12.442 31.284 15.875 1.0 31.73 ? 40 GLN AB CD 1 40 . A ATOM 1303 O OE1 . GLN AB 1 40 ? 11.739 32.277 15.293 1.0 27.55 ? 40 GLN AB OE1 1 40 . A ATOM 1304 N NE2 . GLN AB 1 40 ? 13.705 31.204 15.834 1.0 35.19 ? 40 GLN AB NE2 1 40 . A ATOM 1305 N N . GLY AB 1 41 ? 10.991 26.442 14.146 1.0 30.44 ? 41 GLY AB N 1 41 . A ATOM 1306 C CA . GLY AB 1 41 ? 11.387 25.617 13.005 1.0 30.12 ? 41 GLY AB CA 1 41 . A ATOM 1307 C C . GLY AB 1 41 ? 10.206 24.812 12.466 1.0 29.33 ? 41 GLY AB C 1 41 . A ATOM 1308 O O . GLY AB 1 41 ? 9.017 25.138 12.699 1.0 26.41 ? 41 GLY AB O 1 41 . A ATOM 1309 N N . CYS AB 1 42 ? 10.556 23.728 11.779 1.0 30.97 ? 42 CYS AB N 1 42 . A ATOM 1310 C CA . CYS AB 1 42 ? 9.567 22.885 11.160 1.0 33.37 ? 42 CYS AB CA 1 42 . A ATOM 1311 C C . CYS AB 1 42 ? 9.012 21.725 11.987 1.0 31.99 ? 42 CYS AB C 1 42 . A ATOM 1312 O O . CYS AB 1 42 ? 9.695 20.723 12.210 1.0 32.93 ? 42 CYS AB O 1 42 . A ATOM 1313 C CB . CYS AB 1 42 ? 10.142 22.344 9.829 1.0 39.19 ? 42 CYS AB CB 1 42 . A ATOM 1314 S SG . CYS AB 1 42 ? 10.596 23.506 8.466 1.0 43.48 ? 42 CYS AB SG 1 42 . A ATOM 1315 N N . VAL AB 1 43 ? 7.756 21.774 12.388 1.0 30.59 ? 43 VAL AB N 1 43 . A ATOM 1316 C CA . VAL AB 1 43 ? 7.254 20.604 13.067 1.0 32.51 ? 43 VAL AB CA 1 43 . A ATOM 1317 C C . VAL AB 1 43 ? 6.242 19.809 12.181 1.0 37.07 ? 43 VAL AB C 1 43 . A ATOM 1318 O O . VAL AB 1 43 ? 5.828 20.306 11.145 1.0 38.19 ? 43 VAL AB O 1 43 . A ATOM 1319 C CB . VAL AB 1 43 ? 6.837 20.901 14.534 1.0 30.71 ? 43 VAL AB CB 1 43 . A ATOM 1320 C CG1 . VAL AB 1 43 ? 5.750 21.915 14.602 1.0 27.96 ? 43 VAL AB CG1 1 43 . A ATOM 1321 C CG2 . VAL AB 1 43 ? 6.520 19.610 15.262 1.0 29.81 ? 43 VAL AB CG2 1 43 . A ATOM 1322 N N . ALA AB 1 44 ? 5.879 18.572 12.533 1.0 37.59 ? 44 ALA AB N 1 44 . A ATOM 1323 C CA . ALA AB 1 44 ? 4.935 17.775 11.744 1.0 37.43 ? 44 ALA AB CA 1 44 . A ATOM 1324 C C . ALA AB 1 44 ? 3.618 17.786 12.380 1.0 40.72 ? 44 ALA AB C 1 44 . A ATOM 1325 O O . ALA AB 1 44 ? 2.625 17.379 11.771 1.0 42.91 ? 44 ALA AB O 1 44 . A ATOM 1326 C CB . ALA AB 1 44 ? 5.321 16.392 11.756 1.0 37.15 ? 44 ALA AB CB 1 44 . A ATOM 1327 N N . THR AB 1 45 ? 3.657 18.130 13.666 1.0 42.19 ? 45 THR AB N 1 45 . A ATOM 1328 C CA . THR AB 1 45 ? 2.493 18.261 14.528 1.0 40.76 ? 45 THR AB CA 1 45 . A ATOM 1329 C C . THR AB 1 45 ? 2.740 19.488 15.356 1.0 40.64 ? 45 THR AB C 1 45 . A ATOM 1330 O O . THR AB 1 45 ? 3.820 20.039 15.242 1.0 42.02 ? 45 THR AB O 1 45 . A ATOM 1331 C CB . THR AB 1 45 ? 2.529 17.203 15.532 1.0 39.99 ? 45 THR AB CB 1 45 . A ATOM 1332 O OG1 . THR AB 1 45 ? 3.624 16.339 15.230 1.0 39.23 ? 45 THR AB OG1 1 45 . A ATOM 1333 C CG2 . THR AB 1 45 ? 1.220 16.499 15.513 1.0 40.58 ? 45 THR AB CG2 1 45 . A ATOM 1334 N N . CYS AB 1 46 ? 1.769 19.920 16.166 1.0 38.84 ? 46 CYS AB N 1 46 . A ATOM 1335 C CA . CYS AB 1 46 ? 1.989 21.046 17.062 1.0 39.0 ? 46 CYS AB CA 1 46 . A ATOM 1336 C C . CYS AB 1 46 ? 2.223 20.383 18.416 1.0 38.56 ? 46 CYS AB C 1 46 . A ATOM 1337 O O . CYS AB 1 46 ? 1.330 19.734 18.953 1.0 38.31 ? 46 CYS AB O 1 46 . A ATOM 1338 C CB . CYS AB 1 46 ? 0.787 21.977 17.213 1.0 40.19 ? 46 CYS AB CB 1 46 . A ATOM 1339 S SG . CYS AB 1 46 ? 1.041 23.461 18.275 1.0 39.6 ? 46 CYS AB SG 1 46 . A ATOM 1340 N N . PRO AB 1 47 ? 3.418 20.574 18.983 1.0 38.29 ? 47 PRO AB N 1 47 . A ATOM 1341 C CA . PRO AB 1 47 ? 3.700 20.016 20.279 1.0 36.44 ? 47 PRO AB CA 1 47 . A ATOM 1342 C C . PRO AB 1 47 ? 2.705 20.429 21.358 1.0 33.88 ? 47 PRO AB C 1 47 . A ATOM 1343 O O . PRO AB 1 47 ? 2.351 21.567 21.551 1.0 30.56 ? 47 PRO AB O 1 47 . A ATOM 1344 C CB . PRO AB 1 47 ? 5.103 20.535 20.580 1.0 36.62 ? 47 PRO AB CB 1 47 . A ATOM 1345 C CG . PRO AB 1 47 ? 5.475 21.507 19.479 1.0 34.78 ? 47 PRO AB CG 1 47 . A ATOM 1346 C CD . PRO AB 1 47 ? 4.256 21.770 18.733 1.0 37.47 ? 47 PRO AB CD 1 47 . A ATOM 1347 N N . GLN AB 1 48 ? 2.216 19.419 22.026 1.0 38.24 ? 48 GLN AB N 1 48 . A ATOM 1348 C CA . GLN AB 1 48 ? 1.297 19.562 23.117 1.0 42.47 ? 48 GLN AB CA 1 48 . A ATOM 1349 C C . GLN AB 1 48 ? 1.972 20.502 24.104 1.0 42.48 ? 48 GLN AB C 1 48 . A ATOM 1350 O O . GLN AB 1 48 ? 3.197 20.371 24.406 1.0 40.12 ? 48 GLN AB O 1 48 . A ATOM 1351 C CB . GLN AB 1 48 ? 1.139 18.186 23.775 1.0 48.02 ? 48 GLN AB CB 1 48 . A ATOM 1352 C CG . GLN AB 1 48 ? 0.224 17.153 23.052 1.0 51.08 ? 48 GLN AB CG 1 48 . A ATOM 1353 C CD . GLN AB 1 48 ? -0.904 17.834 22.297 1.0 53.59 ? 48 GLN AB CD 1 48 . A ATOM 1354 O OE1 . GLN AB 1 48 ? -1.887 18.318 22.911 1.0 53.35 ? 48 GLN AB OE1 1 48 . A ATOM 1355 N NE2 . GLN AB 1 48 ? -0.761 17.955 20.957 1.0 53.9 ? 48 GLN AB NE2 1 48 . A ATOM 1356 N N . PHE AB 1 49 ? 1.133 21.418 24.606 1.0 43.74 ? 49 PHE AB N 1 49 . A ATOM 1357 C CA . PHE AB 1 49 ? 1.476 22.517 25.530 1.0 44.79 ? 49 PHE AB CA 1 49 . A ATOM 1358 C C . PHE AB 1 49 ? 1.936 22.162 26.982 1.0 48.93 ? 49 PHE AB C 1 49 . A ATOM 1359 O O . PHE AB 1 49 ? 1.101 21.976 27.881 1.0 51.73 ? 49 PHE AB O 1 49 . A ATOM 1360 C CB . PHE AB 1 49 ? 0.323 23.548 25.481 1.0 41.3 ? 49 PHE AB CB 1 49 . A ATOM 1361 C CG . PHE AB 1 49 ? 0.674 24.915 25.983 1.0 39.12 ? 49 PHE AB CG 1 49 . A ATOM 1362 C CD1 . PHE AB 1 49 ? 1.439 25.754 25.257 1.0 39.9 ? 49 PHE AB CD1 1 49 . A ATOM 1363 C CD2 . PHE AB 1 49 ? 0.215 25.366 27.187 1.0 40.73 ? 49 PHE AB CD2 1 49 . A ATOM 1364 C CE1 . PHE AB 1 49 ? 1.716 27.040 25.716 1.0 41.01 ? 49 PHE AB CE1 1 49 . A ATOM 1365 C CE2 . PHE AB 1 49 ? 0.517 26.646 27.692 1.0 40.8 ? 49 PHE AB CE2 1 49 . A ATOM 1366 C CZ . PHE AB 1 49 ? 1.259 27.485 26.959 1.0 40.7 ? 49 PHE AB CZ 1 49 . A ATOM 1367 N N . ARG AB 1 50 ? 3.260 22.084 27.194 1.0 49.71 ? 50 ARG AB N 1 50 . A ATOM 1368 C CA . ARG AB 1 50 ? 3.888 21.749 28.486 1.0 49.27 ? 50 ARG AB CA 1 50 . A ATOM 1369 C C . ARG AB 1 50 ? 3.715 22.914 29.408 1.0 49.73 ? 50 ARG AB C 1 50 . A ATOM 1370 O O . ARG AB 1 50 ? 3.932 24.035 28.989 1.0 51.13 ? 50 ARG AB O 1 50 . A ATOM 1371 C CB . ARG AB 1 50 ? 5.384 21.446 28.333 1.0 48.2 ? 50 ARG AB CB 1 50 . A ATOM 1372 C CG . ARG AB 1 50 ? 5.610 19.950 28.458 1.0 49.79 ? 50 ARG AB CG 1 50 . A ATOM 1373 C CD . ARG AB 1 50 ? 6.732 19.380 27.558 1.0 52.42 ? 50 ARG AB CD 1 50 . A ATOM 1374 N NE . ARG AB 1 50 ? 7.894 20.279 27.381 1.0 54.14 ? 50 ARG AB NE 1 50 . A ATOM 1375 C CZ . ARG AB 1 50 ? 9.081 19.877 26.922 1.0 54.92 ? 50 ARG AB CZ 1 50 . A ATOM 1376 N NH1 . ARG AB 1 50 ? 9.287 18.598 26.583 1.0 53.78 ? 50 ARG AB NH1 1 50 . A ATOM 1377 N NH2 . ARG AB 1 50 ? 10.060 20.770 26.797 1.0 55.88 ? 50 ARG AB NH2 1 50 . A ATOM 1378 N N . SER AB 1 51 ? 3.329 22.646 30.648 1.0 49.64 ? 51 SER AB N 1 51 . A ATOM 1379 C CA . SER AB 1 51 ? 3.098 23.669 31.681 1.0 49.33 ? 51 SER AB CA 1 51 . A ATOM 1380 C C . SER AB 1 51 ? 4.229 24.707 31.866 1.0 45.18 ? 51 SER AB C 1 51 . A ATOM 1381 O O . SER AB 1 51 ? 3.977 25.868 32.235 1.0 44.71 ? 51 SER AB O 1 51 . A ATOM 1382 C CB . SER AB 1 51 ? 2.763 22.986 33.026 1.0 53.28 ? 51 SER AB CB 1 51 . A ATOM 1383 O OG . SER AB 1 51 ? 1.498 23.400 33.567 1.0 55.99 ? 51 SER AB OG 1 51 . A ATOM 1384 N N . ASN AB 1 52 ? 5.459 24.278 31.594 1.0 42.18 ? 52 ASN AB N 1 52 . A ATOM 1385 C CA . ASN AB 1 52 ? 6.636 25.124 31.627 1.0 41.02 ? 52 ASN AB CA 1 52 . A ATOM 1386 C C . ASN AB 1 52 ? 6.785 26.154 30.486 1.0 35.61 ? 52 ASN AB C 1 52 . A ATOM 1387 O O . ASN AB 1 52 ? 7.828 26.817 30.379 1.0 37.48 ? 52 ASN AB O 1 52 . A ATOM 1388 C CB . ASN AB 1 52 ? 7.867 24.212 31.586 1.0 47.61 ? 52 ASN AB CB 1 52 . A ATOM 1389 C CG . ASN AB 1 52 ? 8.019 23.407 30.261 1.0 53.41 ? 52 ASN AB CG 1 52 . A ATOM 1390 O OD1 . ASN AB 1 52 ? 7.238 23.583 29.306 1.0 56.53 ? 52 ASN AB OD1 1 52 . A ATOM 1391 N ND2 . ASN AB 1 52 ? 9.027 22.494 30.223 1.0 54.09 ? 52 ASN AB ND2 1 52 . A ATOM 1392 N N . TYR AB 1 53 ? 5.814 26.311 29.597 1.0 29.78 ? 53 TYR AB N 1 53 . A ATOM 1393 C CA . TYR AB 1 53 ? 6.081 27.273 28.550 1.0 28.46 ? 53 TYR AB CA 1 53 . A ATOM 1394 C C . TYR AB 1 53 ? 5.446 28.617 28.788 1.0 28.38 ? 53 TYR AB C 1 53 . A ATOM 1395 O O . TYR AB 1 53 ? 4.373 28.730 29.355 1.0 31.52 ? 53 TYR AB O 1 53 . A ATOM 1396 C CB . TYR AB 1 53 ? 5.673 26.834 27.137 1.0 27.58 ? 53 TYR AB CB 1 53 . A ATOM 1397 C CG . TYR AB 1 53 ? 6.048 25.489 26.517 1.0 27.0 ? 53 TYR AB CG 1 53 . A ATOM 1398 C CD1 . TYR AB 1 53 ? 7.370 25.023 26.404 1.0 25.58 ? 53 TYR AB CD1 1 53 . A ATOM 1399 C CD2 . TYR AB 1 53 ? 5.073 24.749 25.894 1.0 25.81 ? 53 TYR AB CD2 1 53 . A ATOM 1400 C CE1 . TYR AB 1 53 ? 7.625 23.786 25.837 1.0 22.81 ? 53 TYR AB CE1 1 53 . A ATOM 1401 C CE2 . TYR AB 1 53 ? 5.367 23.582 25.224 1.0 24.23 ? 53 TYR AB CE2 1 53 . A ATOM 1402 C CZ . TYR AB 1 53 ? 6.611 23.109 25.235 1.0 22.13 ? 53 TYR AB CZ 1 53 . A ATOM 1403 O OH . TYR AB 1 53 ? 6.807 21.944 24.549 1.0 21.54 ? 53 TYR AB OH 1 53 . A ATOM 1404 N N . ARG AB 1 54 ? 6.088 29.640 28.264 1.0 24.77 ? 54 ARG AB N 1 54 . A ATOM 1405 C CA . ARG AB 1 54 ? 5.611 30.946 28.381 1.0 22.37 ? 54 ARG AB CA 1 54 . A ATOM 1406 C C . ARG AB 1 54 ? 4.763 31.100 27.150 1.0 25.45 ? 54 ARG AB C 1 54 . A ATOM 1407 O O . ARG AB 1 54 ? 3.988 32.071 27.042 1.0 27.65 ? 54 ARG AB O 1 54 . A ATOM 1408 C CB . ARG AB 1 54 ? 6.805 31.794 28.320 1.0 25.52 ? 54 ARG AB CB 1 54 . A ATOM 1409 C CG . ARG AB 1 54 ? 6.554 33.239 28.136 1.0 32.99 ? 54 ARG AB CG 1 54 . A ATOM 1410 C CD . ARG AB 1 54 ? 6.259 34.076 29.447 1.0 39.41 ? 54 ARG AB CD 1 54 . A ATOM 1411 N NE . ARG AB 1 54 ? 7.228 33.889 30.551 1.0 43.93 ? 54 ARG AB NE 1 54 . A ATOM 1412 C CZ . ARG AB 1 54 ? 8.348 34.596 30.737 1.0 45.32 ? 54 ARG AB CZ 1 54 . A ATOM 1413 N NH1 . ARG AB 1 54 ? 8.718 35.544 29.868 1.0 43.69 ? 54 ARG AB NH1 1 54 . A ATOM 1414 N NH2 . ARG AB 1 54 ? 9.113 34.315 31.798 1.0 46.65 ? 54 ARG AB NH2 1 54 . A ATOM 1415 N N . SER AB 1 55 ? 4.853 30.137 26.218 1.0 24.35 ? 55 SER AB N 1 55 . A ATOM 1416 C CA . SER AB 1 55 ? 4.034 30.170 24.981 1.0 22.71 ? 55 SER AB CA 1 55 . A ATOM 1417 C C . SER AB 1 55 ? 4.481 29.369 23.835 1.0 20.43 ? 55 SER AB C 1 55 . A ATOM 1418 O O . SER AB 1 55 ? 5.661 29.232 23.610 1.0 18.38 ? 55 SER AB O 1 55 . A ATOM 1419 C CB . SER AB 1 55 ? 3.861 31.539 24.354 1.0 21.37 ? 55 SER AB CB 1 55 . A ATOM 1420 O OG . SER AB 1 55 ? 5.114 31.880 23.902 1.0 19.0 ? 55 SER AB OG 1 55 . A ATOM 1421 N N . LEU AB 1 56 ? 3.442 28.928 23.107 1.0 22.76 ? 56 LEU AB N 1 56 . A ATOM 1422 C CA . LEU AB 1 56 ? 3.455 28.114 21.881 1.0 23.12 ? 56 LEU AB CA 1 56 . A ATOM 1423 C C . LEU AB 1 56 ? 2.673 28.948 20.852 1.0 27.1 ? 56 LEU AB C 1 56 . A ATOM 1424 O O . LEU AB 1 56 ? 1.810 29.750 21.205 1.0 27.93 ? 56 LEU AB O 1 56 . A ATOM 1425 C CB . LEU AB 1 56 ? 2.746 26.802 22.081 1.0 18.26 ? 56 LEU AB CB 1 56 . A ATOM 1426 C CG . LEU AB 1 56 ? 3.608 25.627 21.708 1.0 17.06 ? 56 LEU AB CG 1 56 . A ATOM 1427 C CD1 . LEU AB 1 56 ? 2.692 24.488 21.469 1.0 17.48 ? 56 LEU AB CD1 1 56 . A ATOM 1428 C CD2 . LEU AB 1 56 ? 4.463 25.853 20.499 1.0 16.57 ? 56 LEU AB CD2 1 56 . A ATOM 1429 N N . LEU AB 1 57 ? 3.095 28.805 19.599 1.0 28.81 ? 57 LEU AB N 1 57 . A ATOM 1430 C CA . LEU AB 1 57 ? 2.601 29.491 18.407 1.0 27.68 ? 57 LEU AB CA 1 57 . A ATOM 1431 C C . LEU AB 1 57 ? 2.779 28.422 17.359 1.0 30.99 ? 57 LEU AB C 1 57 . A ATOM 1432 O O . LEU AB 1 57 ? 3.939 28.001 17.122 1.0 31.34 ? 57 LEU AB O 1 57 . A ATOM 1433 C CB . LEU AB 1 57 ? 3.591 30.544 17.972 1.0 25.62 ? 57 LEU AB CB 1 57 . A ATOM 1434 C CG . LEU AB 1 57 ? 3.076 31.248 16.721 1.0 27.16 ? 57 LEU AB CG 1 57 . A ATOM 1435 C CD1 . LEU AB 1 57 ? 1.567 31.468 16.842 1.0 30.76 ? 57 LEU AB CD1 1 57 . A ATOM 1436 C CD2 . LEU AB 1 57 ? 3.812 32.451 16.104 1.0 24.93 ? 57 LEU AB CD2 1 57 . A ATOM 1437 N N . CYS AB 1 58 ? 1.674 27.986 16.754 1.0 32.11 ? 58 CYS AB N 1 58 . A ATOM 1438 C CA . CYS AB 1 58 ? 1.720 26.968 15.707 1.0 34.99 ? 58 CYS AB CA 1 58 . A ATOM 1439 C C . CYS AB 1 58 ? 0.901 27.526 14.561 1.0 34.48 ? 58 CYS AB C 1 58 . A ATOM 1440 O O . CYS AB 1 58 ? -0.299 27.798 14.737 1.0 33.44 ? 58 CYS AB O 1 58 . A ATOM 1441 C CB . CYS AB 1 58 ? 1.085 25.683 16.195 1.0 38.44 ? 58 CYS AB CB 1 58 . A ATOM 1442 S SG . CYS AB 1 58 ? 2.235 24.598 17.094 1.0 42.05 ? 58 CYS AB SG 1 58 . A ATOM 1443 N N . CYS AB 1 59 ? 1.560 27.732 13.416 1.0 34.51 ? 59 CYS AB N 1 59 . A ATOM 1444 C CA . CYS AB 1 59 ? 0.939 28.318 12.217 1.0 35.51 ? 59 CYS AB CA 1 59 . A ATOM 1445 C C . CYS AB 1 59 ? 1.362 27.678 10.861 1.0 37.66 ? 59 CYS AB C 1 59 . A ATOM 1446 O O . CYS AB 1 59 ? 2.577 27.465 10.624 1.0 39.07 ? 59 CYS AB O 1 59 . A ATOM 1447 C CB . CYS AB 1 59 ? 1.254 29.783 12.181 1.0 32.47 ? 59 CYS AB CB 1 59 . A ATOM 1448 S SG . CYS AB 1 59 ? 3.053 29.970 12.221 1.0 33.95 ? 59 CYS AB SG 1 59 . A ATOM 1449 N N . THR AB 1 60 ? 0.362 27.381 9.997 1.0 34.55 ? 60 THR AB N 1 60 . A ATOM 1450 C CA . THR AB 1 60 ? 0.519 26.763 8.663 1.0 28.91 ? 60 THR AB CA 1 60 . A ATOM 1451 C C . THR AB 1 60 ? 0.576 27.918 7.671 1.0 24.34 ? 60 THR AB C 1 60 . A ATOM 1452 O O . THR AB 1 60 ? -0.433 28.358 7.244 1.0 25.09 ? 60 THR AB O 1 60 . A ATOM 1453 C CB . THR AB 1 60 ? -0.771 26.104 8.333 1.0 30.52 ? 60 THR AB CB 1 60 . A ATOM 1454 O OG1 . THR AB 1 60 ? -1.773 27.070 8.539 1.0 32.11 ? 60 THR AB OG1 1 60 . A ATOM 1455 C CG2 . THR AB 1 60 ? -1.129 24.961 9.296 1.0 31.83 ? 60 THR AB CG2 1 60 . A ATOM 1456 N N . THR AB 1 61 ? 1.758 28.443 7.363 1.0 21.33 ? 61 THR AB N 1 61 . A ATOM 1457 C CA . THR AB 1 61 ? 1.939 29.580 6.500 1.0 24.51 ? 61 THR AB CA 1 61 . A ATOM 1458 C C . THR AB 1 61 ? 3.440 29.770 6.404 1.0 30.9 ? 61 THR AB C 1 61 . A ATOM 1459 O O . THR AB 1 61 ? 4.135 29.413 7.314 1.0 32.25 ? 61 THR AB O 1 61 . A ATOM 1460 C CB . THR AB 1 61 ? 1.363 30.815 7.087 1.0 24.78 ? 61 THR AB CB 1 61 . A ATOM 1461 O OG1 . THR AB 1 61 ? -0.048 30.833 6.845 1.0 23.89 ? 61 THR AB OG1 1 61 . A ATOM 1462 C CG2 . THR AB 1 61 ? 2.045 32.092 6.444 1.0 23.47 ? 61 THR AB CG2 1 61 . A ATOM 1463 N N . ASP AB 1 62 ? 4.029 30.197 5.300 1.0 36.04 ? 62 ASP AB N 1 62 . A ATOM 1464 C CA . ASP AB 1 62 ? 5.493 30.128 5.406 1.0 38.53 ? 62 ASP AB CA 1 62 . A ATOM 1465 C C . ASP AB 1 62 ? 6.075 31.132 6.326 1.0 39.11 ? 62 ASP AB C 1 62 . A ATOM 1466 O O . ASP AB 1 62 ? 5.620 32.259 6.321 1.0 39.74 ? 62 ASP AB O 1 62 . A ATOM 1467 C CB . ASP AB 1 62 ? 6.306 29.961 4.091 1.0 38.06 ? 62 ASP AB CB 1 62 . A ATOM 1468 C CG . ASP AB 1 62 ? 5.669 29.002 3.116 1.0 38.1 ? 62 ASP AB CG 1 62 . A ATOM 1469 O OD1 . ASP AB 1 62 ? 5.194 27.928 3.521 1.0 37.54 ? 62 ASP AB OD1 1 62 . A ATOM 1470 O OD2 . ASP AB 1 62 ? 5.592 29.368 1.929 1.0 39.69 ? 62 ASP AB OD2 1 62 . A ATOM 1471 N N . ASN AB 1 63 ? 7.066 30.719 7.104 1.0 39.62 ? 63 ASN AB N 1 63 . A ATOM 1472 C CA . ASN AB 1 63 ? 7.710 31.658 7.983 1.0 41.11 ? 63 ASN AB CA 1 63 . A ATOM 1473 C C . ASN AB 1 63 ? 6.661 32.381 8.867 1.0 39.42 ? 63 ASN AB C 1 63 . A ATOM 1474 O O . ASN AB 1 63 ? 6.820 33.558 9.257 1.0 37.16 ? 63 ASN AB O 1 63 . A ATOM 1475 C CB . ASN AB 1 63 ? 8.421 32.679 7.116 1.0 45.56 ? 63 ASN AB CB 1 63 . A ATOM 1476 C CG . ASN AB 1 63 ? 9.576 32.079 6.368 1.0 51.66 ? 63 ASN AB CG 1 63 . A ATOM 1477 O OD1 . ASN AB 1 63 ? 10.596 32.757 6.122 1.0 54.75 ? 63 ASN AB OD1 1 63 . A ATOM 1478 N ND2 . ASN AB 1 63 ? 9.465 30.782 6.009 1.0 53.52 ? 63 ASN AB ND2 1 63 . A ATOM 1479 N N . CYS AB 1 64 ? 5.555 31.697 9.154 1.0 36.89 ? 64 CYS AB N 1 64 . A ATOM 1480 C CA . CYS AB 1 64 ? 4.592 32.377 9.934 1.0 32.6 ? 64 CYS AB CA 1 64 . A ATOM 1481 C C . CYS AB 1 64 ? 5.064 32.410 11.383 1.0 32.93 ? 64 CYS AB C 1 64 . A ATOM 1482 O O . CYS AB 1 64 ? 4.726 33.349 12.094 1.0 33.23 ? 64 CYS AB O 1 64 . A ATOM 1483 C CB . CYS AB 1 64 ? 3.274 31.719 9.751 1.0 28.49 ? 64 CYS AB CB 1 64 . A ATOM 1484 S SG . CYS AB 1 64 ? 3.510 30.059 10.239 1.0 29.69 ? 64 CYS AB SG 1 64 . A ATOM 1485 N N . ASN AB 1 65 ? 5.906 31.456 11.776 1.0 32.28 ? 65 ASN AB N 1 65 . A ATOM 1486 C CA . ASN AB 1 65 ? 6.406 31.396 13.155 1.0 33.07 ? 65 ASN AB CA 1 65 . A ATOM 1487 C C . ASN AB 1 65 ? 7.394 32.499 13.533 1.0 38.54 ? 65 ASN AB C 1 65 . A ATOM 1488 O O . ASN AB 1 65 ? 8.590 32.286 13.721 1.0 37.87 ? 65 ASN AB O 1 65 . A ATOM 1489 C CB . ASN AB 1 65 ? 7.039 30.060 13.444 1.0 27.29 ? 65 ASN AB CB 1 65 . A ATOM 1490 C CG . ASN AB 1 65 ? 8.153 29.854 12.569 1.0 23.59 ? 65 ASN AB CG 1 65 . A ATOM 1491 O OD1 . ASN AB 1 65 ? 8.180 30.510 11.543 1.0 22.84 ? 65 ASN AB OD1 1 65 . A ATOM 1492 N ND2 . ASN AB 1 65 ? 9.135 29.106 12.975 1.0 22.29 ? 65 ASN AB ND2 1 65 . A ATOM 1493 N N . HIS AB 1 66 ? 6.862 33.702 13.677 1.0 44.9 ? 66 HIS AB N 1 66 . A ATOM 1494 C CA . HIS AB 1 66 ? 7.656 34.851 14.075 1.0 49.51 ? 66 HIS AB CA 1 66 . A ATOM 1495 C C . HIS AB 1 66 ? 6.784 35.694 14.950 1.0 49.34 ? 66 HIS AB C 1 66 . A ATOM 1496 O O . HIS AB 1 66 ? 5.547 35.542 14.726 1.0 47.93 ? 66 HIS AB O 1 66 . A ATOM 1497 C CB . HIS AB 1 66 ? 8.135 35.729 12.864 1.0 54.59 ? 66 HIS AB CB 1 66 . A ATOM 1498 C CG . HIS AB 1 66 ? 7.076 36.622 12.269 1.0 57.7 ? 66 HIS AB CG 1 66 . A ATOM 1499 N ND1 . HIS AB 1 66 ? 6.161 36.163 11.342 1.0 59.64 ? 66 HIS AB ND1 1 66 . A ATOM 1500 C CD2 . HIS AB 1 66 ? 6.835 37.950 12.414 1.0 57.66 ? 66 HIS AB CD2 1 66 . A ATOM 1501 C CE1 . HIS AB 1 66 ? 5.359 37.156 10.986 1.0 59.91 ? 66 HIS AB CE1 1 66 . A ATOM 1502 N NE2 . HIS AB 1 66 ? 5.737 38.247 11.631 1.0 58.88 ? 66 HIS AB NE2 1 66 . A ATOM 1503 O OXT . HIS AB 1 66 ? 7.438 36.448 15.718 1.0 50.95 ? 66 HIS AB OXT 1 66 . A ATOM 1504 N N . ARG AC 1 1 ? -6.677 -23.279 3.805 1.0 33.26 ? 1 ARG AC N 1 1 . A ATOM 1505 C CA . ARG AC 1 1 ? -6.715 -24.716 3.549 1.0 35.16 ? 1 ARG AC CA 1 1 . A ATOM 1506 C C . ARG AC 1 1 ? -8.047 -25.321 3.939 1.0 35.05 ? 1 ARG AC C 1 1 . A ATOM 1507 O O . ARG AC 1 1 ? -9.051 -24.634 3.961 1.0 38.18 ? 1 ARG AC O 1 1 . A ATOM 1508 C CB . ARG AC 1 1 ? -5.594 -25.364 4.386 1.0 38.85 ? 1 ARG AC CB 1 1 . A ATOM 1509 C CG . ARG AC 1 1 ? -5.078 -24.564 5.583 1.0 40.56 ? 1 ARG AC CG 1 1 . A ATOM 1510 C CD . ARG AC 1 1 ? -4.082 -25.421 6.320 1.0 42.72 ? 1 ARG AC CD 1 1 . A ATOM 1511 N NE . ARG AC 1 1 ? -2.707 -25.317 5.814 1.0 46.89 ? 1 ARG AC NE 1 1 . A ATOM 1512 C CZ . ARG AC 1 1 ? -2.238 -25.990 4.753 1.0 49.39 ? 1 ARG AC CZ 1 1 . A ATOM 1513 N NH1 . ARG AC 1 1 ? -3.063 -26.807 4.065 1.0 49.8 ? 1 ARG AC NH1 1 1 . A ATOM 1514 N NH2 . ARG AC 1 1 ? -0.941 -25.859 4.398 1.0 49.33 ? 1 ARG AC NH2 1 1 . A ATOM 1515 N N . THR AC 1 2 ? -8.089 -26.595 4.287 1.0 34.88 ? 2 THR AC N 1 2 . A ATOM 1516 C CA . THR AC 1 2 ? -9.333 -27.158 4.838 1.0 35.42 ? 2 THR AC CA 1 2 . A ATOM 1517 C C . THR AC 1 2 ? -8.919 -27.746 6.166 1.0 31.19 ? 2 THR AC C 1 2 . A ATOM 1518 O O . THR AC 1 2 ? -7.790 -28.186 6.339 1.0 29.4 ? 2 THR AC O 1 2 . A ATOM 1519 C CB . THR AC 1 2 ? -9.948 -28.309 4.064 1.0 39.11 ? 2 THR AC CB 1 2 . A ATOM 1520 O OG1 . THR AC 1 2 ? -8.971 -28.850 3.182 1.0 43.5 ? 2 THR AC OG1 1 2 . A ATOM 1521 C CG2 . THR AC 1 2 ? -11.117 -27.839 3.280 1.0 39.88 ? 2 THR AC CG2 1 2 . A ATOM 1522 N N . CYS AC 1 3 ? -9.848 -27.752 7.106 1.0 31.28 ? 3 CYS AC N 1 3 . A ATOM 1523 C CA . CYS AC 1 3 ? -9.604 -28.283 8.454 1.0 27.97 ? 3 CYS AC CA 1 3 . A ATOM 1524 C C . CYS AC 1 3 ? -10.852 -28.968 8.941 1.0 26.3 ? 3 CYS AC C 1 3 . A ATOM 1525 O O . CYS AC 1 3 ? -11.979 -28.736 8.418 1.0 22.94 ? 3 CYS AC O 1 3 . A ATOM 1526 C CB . CYS AC 1 3 ? -9.429 -27.114 9.337 1.0 27.05 ? 3 CYS AC CB 1 3 . A ATOM 1527 S SG . CYS AC 1 3 ? -7.966 -26.140 8.937 1.0 27.84 ? 3 CYS AC SG 1 3 . A ATOM 1528 N N . LEU AC 1 4 ? -10.690 -29.818 9.958 1.0 26.9 ? 4 LEU AC N 1 4 . A ATOM 1529 C CA . LEU AC 1 4 ? -11.907 -30.430 10.524 1.0 25.03 ? 4 LEU AC CA 1 4 . A ATOM 1530 C C . LEU AC 1 4 ? -12.697 -29.424 11.432 1.0 24.06 ? 4 LEU AC C 1 4 . A ATOM 1531 O O . LEU AC 1 4 ? -12.131 -28.451 11.929 1.0 21.5 ? 4 LEU AC O 1 4 . A ATOM 1532 C CB . LEU AC 1 4 ? -11.556 -31.742 11.181 1.0 25.9 ? 4 LEU AC CB 1 4 . A ATOM 1533 C CG . LEU AC 1 4 ? -11.736 -32.922 10.205 1.0 31.57 ? 4 LEU AC CG 1 4 . A ATOM 1534 C CD1 . LEU AC 1 4 ? -13.198 -33.263 9.716 1.0 31.19 ? 4 LEU AC CD1 1 4 . A ATOM 1535 C CD2 . LEU AC 1 4 ? -10.872 -32.784 8.940 1.0 33.19 ? 4 LEU AC CD2 1 4 . A ATOM 1536 N N . ILE AC 1 5 ? -14.003 -29.610 11.610 1.0 28.6 ? 5 ILE AC N 1 5 . A ATOM 1537 C CA . ILE AC 1 5 ? -14.796 -28.766 12.546 1.0 33.21 ? 5 ILE AC CA 1 5 . A ATOM 1538 C C . ILE AC 1 5 ? -15.479 -29.496 13.720 1.0 36.36 ? 5 ILE AC C 1 5 . A ATOM 1539 O O . ILE AC 1 5 ? -16.154 -30.498 13.547 1.0 35.93 ? 5 ILE AC O 1 5 . A ATOM 1540 C CB . ILE AC 1 5 ? -15.819 -27.773 11.979 1.0 31.13 ? 5 ILE AC CB 1 5 . A ATOM 1541 C CG1 . ILE AC 1 5 ? -16.952 -28.451 11.240 1.0 33.46 ? 5 ILE AC CG1 1 5 . A ATOM 1542 C CG2 . ILE AC 1 5 ? -15.153 -26.596 11.468 1.0 30.07 ? 5 ILE AC CG2 1 5 . A ATOM 1543 C CD1 . ILE AC 1 5 ? -18.270 -27.730 11.398 1.0 35.94 ? 5 ILE AC CD1 1 5 . A ATOM 1544 N N . SER AC 1 6 ? -15.316 -28.909 14.901 1.0 39.16 ? 6 SER AC N 1 6 . A ATOM 1545 C CA . SER AC 1 6 ? -15.818 -29.440 16.168 1.0 38.77 ? 6 SER AC CA 1 6 . A ATOM 1546 C C . SER AC 1 6 ? -16.714 -30.633 16.233 1.0 40.15 ? 6 SER AC C 1 6 . A ATOM 1547 O O . SER AC 1 6 ? -16.249 -31.752 16.014 1.0 42.86 ? 6 SER AC O 1 6 . A ATOM 1548 C CB . SER AC 1 6 ? -16.145 -28.416 17.298 1.0 36.98 ? 6 SER AC CB 1 6 . A ATOM 1549 O OG . SER AC 1 6 ? -15.432 -27.189 17.252 1.0 35.88 ? 6 SER AC OG 1 6 . A ATOM 1550 N N . PRO AC 1 7 ? -17.977 -30.344 16.557 1.0 39.41 ? 7 PRO AC N 1 7 . A ATOM 1551 C CA . PRO AC 1 7 ? -18.998 -31.286 16.923 1.0 36.66 ? 7 PRO AC CA 1 7 . A ATOM 1552 C C . PRO AC 1 7 ? -18.884 -32.439 16.072 1.0 37.33 ? 7 PRO AC C 1 7 . A ATOM 1553 O O . PRO AC 1 7 ? -18.426 -33.471 16.553 1.0 40.9 ? 7 PRO AC O 1 7 . A ATOM 1554 C CB . PRO AC 1 7 ? -20.287 -30.553 16.695 1.0 35.46 ? 7 PRO AC CB 1 7 . A ATOM 1555 C CG . PRO AC 1 7 ? -19.881 -29.092 16.479 1.0 37.38 ? 7 PRO AC CG 1 7 . A ATOM 1556 C CD . PRO AC 1 7 ? -18.565 -29.244 15.775 1.0 38.92 ? 7 PRO AC CD 1 7 . A ATOM 1557 N N . SER AC 1 8 ? -19.128 -32.230 14.795 1.0 35.58 ? 8 SER AC N 1 8 . A ATOM 1558 C CA . SER AC 1 8 ? -19.143 -33.313 13.804 1.0 33.57 ? 8 SER AC CA 1 8 . A ATOM 1559 C C . SER AC 1 8 ? -17.852 -33.681 13.230 1.0 29.88 ? 8 SER AC C 1 8 . A ATOM 1560 O O . SER AC 1 8 ? -17.798 -34.615 12.475 1.0 25.94 ? 8 SER AC O 1 8 . A ATOM 1561 C CB . SER AC 1 8 ? -19.869 -32.798 12.596 1.0 34.49 ? 8 SER AC CB 1 8 . A ATOM 1562 O OG . SER AC 1 8 ? -19.131 -31.656 12.197 1.0 36.91 ? 8 SER AC OG 1 8 . A ATOM 1563 N N . SER AC 1 9 ? -16.851 -32.863 13.472 1.0 34.32 ? 9 SER AC N 1 9 . A ATOM 1564 C CA . SER AC 1 9 ? -15.538 -33.113 12.878 1.0 37.33 ? 9 SER AC CA 1 9 . A ATOM 1565 C C . SER AC 1 9 ? -15.644 -33.365 11.367 1.0 37.82 ? 9 SER AC C 1 9 . A ATOM 1566 O O . SER AC 1 9 ? -15.398 -34.499 10.963 1.0 37.26 ? 9 SER AC O 1 9 . A ATOM 1567 C CB . SER AC 1 9 ? -14.913 -34.350 13.545 1.0 37.33 ? 9 SER AC CB 1 9 . A ATOM 1568 O OG . SER AC 1 9 ? -14.191 -33.949 14.686 1.0 36.81 ? 9 SER AC OG 1 9 . A ATOM 1569 N N . THR AC 1 10 ? -16.071 -32.384 10.548 1.0 37.71 ? 10 THR AC N 1 10 . A ATOM 1570 C CA . THR AC 1 10 ? -16.172 -32.597 9.075 1.0 34.08 ? 10 THR AC CA 1 10 . A ATOM 1571 C C . THR AC 1 10 ? -15.316 -31.550 8.405 1.0 33.96 ? 10 THR AC C 1 10 . A ATOM 1572 O O . THR AC 1 10 ? -14.676 -30.751 9.069 1.0 36.46 ? 10 THR AC O 1 10 . A ATOM 1573 C CB . THR AC 1 10 ? -17.537 -32.324 8.537 1.0 30.11 ? 10 THR AC CB 1 10 . A ATOM 1574 O OG1 . THR AC 1 10 ? -17.675 -30.912 8.548 1.0 35.16 ? 10 THR AC OG1 1 10 . A ATOM 1575 C CG2 . THR AC 1 10 ? -18.570 -32.838 9.368 1.0 25.16 ? 10 THR AC CG2 1 10 . A ATOM 1576 N N . PRO AC 1 11 ? -15.294 -31.488 7.085 1.0 32.01 ? 11 PRO AC N 1 11 . A ATOM 1577 C CA . PRO AC 1 11 ? -14.417 -30.488 6.518 1.0 30.04 ? 11 PRO AC CA 1 11 . A ATOM 1578 C C . PRO AC 1 11 ? -15.045 -29.119 6.206 1.0 28.77 ? 11 PRO AC C 1 11 . A ATOM 1579 O O . PRO AC 1 11 ? -16.241 -28.985 5.853 1.0 27.14 ? 11 PRO AC O 1 11 . A ATOM 1580 C CB . PRO AC 1 11 ? -13.860 -31.177 5.273 1.0 30.75 ? 11 PRO AC CB 1 11 . A ATOM 1581 C CG . PRO AC 1 11 ? -14.046 -32.576 5.491 1.0 31.57 ? 11 PRO AC CG 1 11 . A ATOM 1582 C CD . PRO AC 1 11 ? -15.353 -32.686 6.248 1.0 31.51 ? 11 PRO AC CD 1 11 . A ATOM 1583 N N . GLN AC 1 12 ? -14.227 -28.083 6.353 1.0 27.47 ? 12 GLN AC N 1 12 . A ATOM 1584 C CA . GLN AC 1 12 ? -14.705 -26.762 6.042 1.0 28.63 ? 12 GLN AC CA 1 12 . A ATOM 1585 C C . GLN AC 1 12 ? -13.458 -26.110 5.580 1.0 32.0 ? 12 GLN AC C 1 12 . A ATOM 1586 O O . GLN AC 1 12 ? -12.358 -26.518 6.001 1.0 33.33 ? 12 GLN AC O 1 12 . A ATOM 1587 C CB . GLN AC 1 12 ? -15.244 -25.987 7.238 1.0 29.35 ? 12 GLN AC CB 1 12 . A ATOM 1588 C CG . GLN AC 1 12 ? -14.212 -25.012 7.818 1.0 29.39 ? 12 GLN AC CG 1 12 . A ATOM 1589 C CD . GLN AC 1 12 ? -14.794 -23.908 8.678 1.0 30.23 ? 12 GLN AC CD 1 12 . A ATOM 1590 O OE1 . GLN AC 1 12 ? -14.016 -23.103 9.187 1.0 33.72 ? 12 GLN AC OE1 1 12 . A ATOM 1591 N NE2 . GLN AC 1 12 ? -16.125 -23.828 8.807 1.0 26.9 ? 12 GLN AC NE2 1 12 . A ATOM 1592 N N . THR AC 1 13 ? -13.669 -25.138 4.692 1.0 33.8 ? 13 THR AC N 1 13 . A ATOM 1593 C CA . THR AC 1 13 ? -12.656 -24.397 3.974 1.0 33.97 ? 13 THR AC CA 1 13 . A ATOM 1594 C C . THR AC 1 13 ? -12.354 -23.052 4.612 1.0 35.11 ? 13 THR AC C 1 13 . A ATOM 1595 O O . THR AC 1 13 ? -13.235 -22.162 4.675 1.0 34.32 ? 13 THR AC O 1 13 . A ATOM 1596 C CB . THR AC 1 13 ? -13.259 -24.120 2.592 1.0 34.35 ? 13 THR AC CB 1 13 . A ATOM 1597 O OG1 . THR AC 1 13 ? -13.877 -25.312 2.115 1.0 33.3 ? 13 THR AC OG1 1 13 . A ATOM 1598 C CG2 . THR AC 1 13 ? -12.186 -23.640 1.611 1.0 33.31 ? 13 THR AC CG2 1 13 . A ATOM 1599 N N . CYS AC 1 14 ? -11.116 -22.908 5.071 1.0 37.22 ? 14 CYS AC N 1 14 . A ATOM 1600 C CA . CYS AC 1 14 ? -10.692 -21.687 5.730 1.0 42.45 ? 14 CYS AC CA 1 14 . A ATOM 1601 C C . CYS AC 1 14 ? -10.793 -20.452 4.838 1.0 47.61 ? 14 CYS AC C 1 14 . A ATOM 1602 O O . CYS AC 1 14 ? -10.948 -20.545 3.620 1.0 49.29 ? 14 CYS AC O 1 14 . A ATOM 1603 C CB . CYS AC 1 14 ? -9.250 -21.842 6.223 1.0 43.25 ? 14 CYS AC CB 1 14 . A ATOM 1604 S SG . CYS AC 1 14 ? -8.979 -23.326 7.241 1.0 46.92 ? 14 CYS AC SG 1 14 . A ATOM 1605 N N . PRO AC 1 15 ? -10.687 -19.283 5.434 1.0 50.77 ? 15 PRO AC N 1 15 . A ATOM 1606 C CA . PRO AC 1 15 ? -10.692 -18.059 4.651 1.0 53.91 ? 15 PRO AC CA 1 15 . A ATOM 1607 C C . PRO AC 1 15 ? -9.229 -17.571 4.596 1.0 56.51 ? 15 PRO AC C 1 15 . A ATOM 1608 O O . PRO AC 1 15 ? -8.335 -18.269 5.088 1.0 57.31 ? 15 PRO AC O 1 15 . A ATOM 1609 C CB . PRO AC 1 15 ? -11.712 -17.188 5.415 1.0 53.68 ? 15 PRO AC CB 1 15 . A ATOM 1610 C CG . PRO AC 1 15 ? -12.814 -18.286 5.917 1.0 51.99 ? 15 PRO AC CG 1 15 . A ATOM 1611 C CD . PRO AC 1 15 ? -12.060 -19.645 5.869 1.0 51.13 ? 15 PRO AC CD 1 15 . A ATOM 1612 N N . ASN AC 1 16 ? -8.934 -16.462 3.922 1.0 58.64 ? 16 ASN AC N 1 16 . A ATOM 1613 C CA . ASN AC 1 16 ? -7.527 -16.052 3.825 1.0 61.9 ? 16 ASN AC CA 1 16 . A ATOM 1614 C C . ASN AC 1 16 ? -7.085 -15.781 5.219 1.0 62.5 ? 16 ASN AC C 1 16 . A ATOM 1615 O O . ASN AC 1 16 ? -7.839 -15.165 5.975 1.0 64.81 ? 16 ASN AC O 1 16 . A ATOM 1616 C CB . ASN AC 1 16 ? -7.352 -14.749 2.990 1.0 66.15 ? 16 ASN AC CB 1 16 . A ATOM 1617 C CG . ASN AC 1 16 ? -7.199 -13.430 3.867 1.0 69.06 ? 16 ASN AC CG 1 16 . A ATOM 1618 O OD1 . ASN AC 1 16 ? -6.266 -12.616 3.653 1.0 68.72 ? 16 ASN AC OD1 1 16 . A ATOM 1619 N ND2 . ASN AC 1 16 ? -8.157 -13.201 4.799 1.0 70.32 ? 16 ASN AC ND2 1 16 . A ATOM 1620 N N . GLY AC 1 17 ? -5.885 -16.191 5.588 1.0 60.85 ? 17 GLY AC N 1 17 . A ATOM 1621 C CA . GLY AC 1 17 ? -5.467 -15.847 6.940 1.0 59.85 ? 17 GLY AC CA 1 17 . A ATOM 1622 C C . GLY AC 1 17 ? -5.520 -17.050 7.862 1.0 59.35 ? 17 GLY AC C 1 17 . A ATOM 1623 O O . GLY AC 1 17 ? -4.650 -17.202 8.763 1.0 60.92 ? 17 GLY AC O 1 17 . A ATOM 1624 N N . GLN AC 1 18 ? -6.526 -17.904 7.626 1.0 54.68 ? 18 GLN AC N 1 18 . A ATOM 1625 C CA . GLN AC 1 18 ? -6.701 -19.124 8.397 1.0 49.07 ? 18 GLN AC CA 1 18 . A ATOM 1626 C C . GLN AC 1 18 ? -5.994 -20.205 7.578 1.0 47.8 ? 18 GLN AC C 1 18 . A ATOM 1627 O O . GLN AC 1 18 ? -6.593 -20.926 6.751 1.0 47.3 ? 18 GLN AC O 1 18 . A ATOM 1628 C CB . GLN AC 1 18 ? -8.175 -19.374 8.640 1.0 47.09 ? 18 GLN AC CB 1 18 . A ATOM 1629 C CG . GLN AC 1 18 ? -8.922 -18.123 9.225 1.0 46.09 ? 18 GLN AC CG 1 18 . A ATOM 1630 C CD . GLN AC 1 18 ? -10.343 -18.422 9.730 1.0 46.53 ? 18 GLN AC CD 1 18 . A ATOM 1631 O OE1 . GLN AC 1 18 ? -11.301 -18.584 8.949 1.0 48.08 ? 18 GLN AC OE1 1 18 . A ATOM 1632 N NE2 . GLN AC 1 18 ? -10.487 -18.488 11.045 1.0 46.26 ? 18 GLN AC NE2 1 18 . A ATOM 1633 N N . ASP AC 1 19 ? -4.673 -20.206 7.788 1.0 47.6 ? 19 ASP AC N 1 19 . A ATOM 1634 C CA . ASP AC 1 19 ? -3.694 -21.085 7.150 1.0 49.39 ? 19 ASP AC CA 1 19 . A ATOM 1635 C C . ASP AC 1 19 ? -3.395 -22.324 7.992 1.0 46.39 ? 19 ASP AC C 1 19 . A ATOM 1636 O O . ASP AC 1 19 ? -2.764 -23.293 7.495 1.0 45.43 ? 19 ASP AC O 1 19 . A ATOM 1637 C CB . ASP AC 1 19 ? -2.373 -20.337 6.811 1.0 54.58 ? 19 ASP AC CB 1 19 . A ATOM 1638 C CG . ASP AC 1 19 ? -1.748 -19.543 8.009 1.0 60.55 ? 19 ASP AC CG 1 19 . A ATOM 1639 O OD1 . ASP AC 1 19 ? -2.283 -18.470 8.400 1.0 61.98 ? 19 ASP AC OD1 1 19 . A ATOM 1640 O OD2 . ASP AC 1 19 ? -0.661 -19.946 8.525 1.0 63.59 ? 19 ASP AC OD2 1 19 . A ATOM 1641 N N . ILE AC 1 20 ? -3.851 -22.269 9.256 1.0 40.82 ? 20 ILE AC N 1 20 . A ATOM 1642 C CA . ILE AC 1 20 ? -3.624 -23.307 10.260 1.0 34.86 ? 20 ILE AC CA 1 20 . A ATOM 1643 C C . ILE AC 1 20 ? -4.863 -23.981 10.881 1.0 31.88 ? 20 ILE AC C 1 20 . A ATOM 1644 O O . ILE AC 1 20 ? -5.817 -23.295 11.249 1.0 31.6 ? 20 ILE AC O 1 20 . A ATOM 1645 C CB . ILE AC 1 20 ? -2.856 -22.684 11.425 1.0 33.62 ? 20 ILE AC CB 1 20 . A ATOM 1646 C CG1 . ILE AC 1 20 ? -1.592 -21.971 10.950 1.0 32.73 ? 20 ILE AC CG1 1 20 . A ATOM 1647 C CG2 . ILE AC 1 20 ? -2.593 -23.701 12.509 1.0 34.14 ? 20 ILE AC CG2 1 20 . A ATOM 1648 C CD1 . ILE AC 1 20 ? -1.102 -20.927 11.952 1.0 31.33 ? 20 ILE AC CD1 1 20 . A ATOM 1649 N N . CYS AC 1 21 ? -4.835 -25.305 11.037 1.0 29.77 ? 21 CYS AC N 1 21 . A ATOM 1650 C CA . CYS AC 1 21 ? -5.930 -26.009 11.699 1.0 30.43 ? 21 CYS AC CA 1 21 . A ATOM 1651 C C . CYS AC 1 21 ? -5.640 -26.310 13.204 1.0 29.65 ? 21 CYS AC C 1 21 . A ATOM 1652 O O . CYS AC 1 21 ? -4.488 -26.502 13.602 1.0 27.36 ? 21 CYS AC O 1 21 . A ATOM 1653 C CB . CYS AC 1 21 ? -6.123 -27.375 11.087 1.0 30.73 ? 21 CYS AC CB 1 21 . A ATOM 1654 S SG . CYS AC 1 21 ? -6.497 -27.479 9.334 1.0 29.63 ? 21 CYS AC SG 1 21 . A ATOM 1655 N N . PHE AC 1 22 ? -6.671 -26.425 14.025 1.0 28.89 ? 22 PHE AC N 1 22 . A ATOM 1656 C CA . PHE AC 1 22 ? -6.357 -26.799 15.390 1.0 28.7 ? 22 PHE AC CA 1 22 . A ATOM 1657 C C . PHE AC 1 22 ? -7.354 -27.728 16.026 1.0 27.23 ? 22 PHE AC C 1 22 . A ATOM 1658 O O . PHE AC 1 22 ? -8.510 -27.896 15.596 1.0 25.46 ? 22 PHE AC O 1 22 . A ATOM 1659 C CB . PHE AC 1 22 ? -6.148 -25.624 16.314 1.0 29.45 ? 22 PHE AC CB 1 22 . A ATOM 1660 C CG . PHE AC 1 22 ? -7.407 -24.899 16.610 1.0 31.37 ? 22 PHE AC CG 1 22 . A ATOM 1661 C CD1 . PHE AC 1 22 ? -8.263 -25.351 17.578 1.0 32.06 ? 22 PHE AC CD1 1 22 . A ATOM 1662 C CD2 . PHE AC 1 22 ? -7.750 -23.780 15.881 1.0 34.92 ? 22 PHE AC CD2 1 22 . A ATOM 1663 C CE1 . PHE AC 1 22 ? -9.431 -24.710 17.879 1.0 33.28 ? 22 PHE AC CE1 1 22 . A ATOM 1664 C CE2 . PHE AC 1 22 ? -8.922 -23.102 16.164 1.0 36.55 ? 22 PHE AC CE2 1 22 . A ATOM 1665 C CZ . PHE AC 1 22 ? -9.756 -23.579 17.179 1.0 35.59 ? 22 PHE AC CZ 1 22 . A ATOM 1666 N N . LEU AC 1 23 ? -6.869 -28.346 17.088 1.0 25.77 ? 23 LEU AC N 1 23 . A ATOM 1667 C CA . LEU AC 1 23 ? -7.702 -29.218 17.894 1.0 25.1 ? 23 LEU AC CA 1 23 . A ATOM 1668 C C . LEU AC 1 23 ? -7.439 -28.810 19.345 1.0 27.93 ? 23 LEU AC C 1 23 . A ATOM 1669 O O . LEU AC 1 23 ? -6.301 -28.776 19.843 1.0 27.96 ? 23 LEU AC O 1 23 . A ATOM 1670 C CB . LEU AC 1 23 ? -7.407 -30.652 17.607 1.0 21.46 ? 23 LEU AC CB 1 23 . A ATOM 1671 C CG . LEU AC 1 23 ? -8.142 -31.618 18.501 1.0 20.09 ? 23 LEU AC CG 1 23 . A ATOM 1672 C CD1 . LEU AC 1 23 ? -9.592 -31.747 18.131 1.0 18.92 ? 23 LEU AC CD1 1 23 . A ATOM 1673 C CD2 . LEU AC 1 23 ? -7.521 -32.861 18.054 1.0 20.77 ? 23 LEU AC CD2 1 23 . A ATOM 1674 N N . LYS AC 1 24 ? -8.466 -28.338 20.001 1.0 30.18 ? 24 LYS AC N 1 24 . A ATOM 1675 C CA . LYS AC 1 24 ? -8.169 -27.893 21.335 1.0 34.09 ? 24 LYS AC CA 1 24 . A ATOM 1676 C C . LYS AC 1 24 ? -9.086 -28.504 22.334 1.0 34.53 ? 24 LYS AC C 1 24 . A ATOM 1677 O O . LYS AC 1 24 ? -10.320 -28.349 22.235 1.0 32.85 ? 24 LYS AC O 1 24 . A ATOM 1678 C CB . LYS AC 1 24 ? -8.293 -26.394 21.446 1.0 34.92 ? 24 LYS AC CB 1 24 . A ATOM 1679 C CG . LYS AC 1 24 ? -8.477 -25.929 22.888 1.0 36.52 ? 24 LYS AC CG 1 24 . A ATOM 1680 C CD . LYS AC 1 24 ? -8.478 -24.376 22.923 1.0 37.71 ? 24 LYS AC CD 1 24 . A ATOM 1681 C CE . LYS AC 1 24 ? -9.849 -23.833 22.465 1.0 38.8 ? 24 LYS AC CE 1 24 . A ATOM 1682 N NZ . LYS AC 1 24 ? -9.852 -22.338 22.220 1.0 39.26 ? 24 LYS AC NZ 1 24 . A ATOM 1683 N N . ALA AC 1 25 ? -8.468 -29.147 23.318 1.0 35.39 ? 25 ALA AC N 1 25 . A ATOM 1684 C CA . ALA AC 1 25 ? -9.241 -29.798 24.385 1.0 36.81 ? 25 ALA AC CA 1 25 . A ATOM 1685 C C . ALA AC 1 25 ? -9.225 -29.004 25.677 1.0 41.45 ? 25 ALA AC C 1 25 . A ATOM 1686 O O . ALA AC 1 25 ? -8.226 -28.999 26.414 1.0 43.82 ? 25 ALA AC O 1 25 . A ATOM 1687 C CB . ALA AC 1 25 ? -8.722 -31.153 24.617 1.0 33.9 ? 25 ALA AC CB 1 25 . A ATOM 1688 N N . GLN AC 1 26 ? -10.295 -28.311 26.003 1.0 43.2 ? 26 GLN AC N 1 26 . A ATOM 1689 C CA . GLN AC 1 26 ? -10.137 -27.648 27.272 1.0 48.14 ? 26 GLN AC CA 1 26 . A ATOM 1690 C C . GLN AC 1 26 ? -11.053 -28.057 28.430 1.0 47.01 ? 26 GLN AC C 1 26 . A ATOM 1691 O O . GLN AC 1 26 ? -12.167 -28.580 28.209 1.0 46.42 ? 26 GLN AC O 1 26 . A ATOM 1692 C CB . GLN AC 1 26 ? -10.077 -26.172 27.097 1.0 52.9 ? 26 GLN AC CB 1 26 . A ATOM 1693 C CG . GLN AC 1 26 ? -11.367 -25.548 27.442 1.0 56.87 ? 26 GLN AC CG 1 26 . A ATOM 1694 C CD . GLN AC 1 26 ? -11.317 -24.136 27.009 1.0 61.2 ? 26 GLN AC CD 1 26 . A ATOM 1695 O OE1 . GLN AC 1 26 ? -11.898 -23.257 27.658 1.0 63.35 ? 26 GLN AC OE1 1 26 . A ATOM 1696 N NE2 . GLN AC 1 26 ? -10.561 -23.875 25.921 1.0 62.33 ? 26 GLN AC NE2 1 26 . A ATOM 1697 N N . CYS AC 1 27 ? -10.563 -27.816 29.656 1.0 45.9 ? 27 CYS AC N 1 27 . A ATOM 1698 C CA . CYS AC 1 27 ? -11.291 -28.174 30.909 1.0 43.28 ? 27 CYS AC CA 1 27 . A ATOM 1699 C C . CYS AC 1 27 ? -12.124 -27.112 31.645 1.0 41.17 ? 27 CYS AC C 1 27 . A ATOM 1700 O O . CYS AC 1 27 ? -11.627 -26.044 31.985 1.0 38.43 ? 27 CYS AC O 1 27 . A ATOM 1701 C CB . CYS AC 1 27 ? -10.323 -28.703 31.940 1.0 40.81 ? 27 CYS AC CB 1 27 . A ATOM 1702 S SG . CYS AC 1 27 ? -9.649 -30.324 31.565 1.0 39.95 ? 27 CYS AC SG 1 27 . A ATOM 1703 N N . ASP AC 1 28 ? -13.374 -27.479 31.947 1.0 42.44 ? 28 ASP AC N 1 28 . A ATOM 1704 C CA . ASP AC 1 28 ? -14.305 -26.667 32.729 1.0 41.65 ? 28 ASP AC CA 1 28 . A ATOM 1705 C C . ASP AC 1 28 ? -14.063 -27.195 34.155 1.0 44.82 ? 28 ASP AC C 1 28 . A ATOM 1706 O O . ASP AC 1 28 ? -13.280 -28.144 34.360 1.0 45.42 ? 28 ASP AC O 1 28 . A ATOM 1707 C CB . ASP AC 1 28 ? -15.749 -27.006 32.330 1.0 38.36 ? 28 ASP AC CB 1 28 . A ATOM 1708 C CG . ASP AC 1 28 ? -15.931 -28.484 32.045 1.0 38.54 ? 28 ASP AC CG 1 28 . A ATOM 1709 O OD1 . ASP AC 1 28 ? -14.903 -29.183 31.989 1.0 37.66 ? 28 ASP AC OD1 1 28 . A ATOM 1710 O OD2 . ASP AC 1 28 ? -17.069 -28.972 31.801 1.0 39.76 ? 28 ASP AC OD2 1 28 . A ATOM 1711 N N . LYS AC 1 29 ? -14.767 -26.606 35.125 1.0 46.42 ? 29 LYS AC N 1 29 . A ATOM 1712 C CA . LYS AC 1 29 ? -14.735 -26.995 36.542 1.0 46.53 ? 29 LYS AC CA 1 29 . A ATOM 1713 C C . LYS AC 1 29 ? -15.133 -28.492 36.614 1.0 46.32 ? 29 LYS AC C 1 29 . A ATOM 1714 O O . LYS AC 1 29 ? -14.980 -29.177 37.658 1.0 48.26 ? 29 LYS AC O 1 29 . A ATOM 1715 C CB . LYS AC 1 29 ? -15.713 -26.090 37.344 1.0 46.49 ? 29 LYS AC CB 1 29 . A ATOM 1716 C CG . LYS AC 1 29 ? -16.351 -26.682 38.635 1.0 47.19 ? 29 LYS AC CG 1 29 . A ATOM 1717 C CD . LYS AC 1 29 ? -17.334 -25.747 39.429 1.0 46.22 ? 29 LYS AC CD 1 29 . A ATOM 1718 C CE . LYS AC 1 29 ? -17.117 -24.291 39.078 1.0 46.42 ? 29 LYS AC CE 1 29 . A ATOM 1719 N NZ . LYS AC 1 29 ? -17.391 -23.337 40.152 1.0 46.95 ? 29 LYS AC NZ 1 29 . A ATOM 1720 N N . PHE AC 1 30 ? -15.681 -29.020 35.518 1.0 41.84 ? 30 PHE AC N 1 30 . A ATOM 1721 C CA . PHE AC 1 30 ? -16.084 -30.404 35.558 1.0 38.74 ? 30 PHE AC CA 1 30 . A ATOM 1722 C C . PHE AC 1 30 ? -15.321 -31.262 34.593 1.0 36.8 ? 30 PHE AC C 1 30 . A ATOM 1723 O O . PHE AC 1 30 ? -15.885 -32.195 34.051 1.0 37.01 ? 30 PHE AC O 1 30 . A ATOM 1724 C CB . PHE AC 1 30 ? -17.545 -30.499 35.235 1.0 39.67 ? 30 PHE AC CB 1 30 . A ATOM 1725 C CG . PHE AC 1 30 ? -18.417 -29.814 36.222 1.0 41.36 ? 30 PHE AC CG 1 30 . A ATOM 1726 C CD1 . PHE AC 1 30 ? -18.034 -28.688 36.890 1.0 41.47 ? 30 PHE AC CD1 1 30 . A ATOM 1727 C CD2 . PHE AC 1 30 ? -19.641 -30.302 36.479 1.0 43.92 ? 30 PHE AC CD2 1 30 . A ATOM 1728 C CE1 . PHE AC 1 30 ? -18.825 -28.083 37.779 1.0 42.07 ? 30 PHE AC CE1 1 30 . A ATOM 1729 C CE2 . PHE AC 1 30 ? -20.468 -29.676 37.375 1.0 44.11 ? 30 PHE AC CE2 1 30 . A ATOM 1730 C CZ . PHE AC 1 30 ? -20.043 -28.555 38.016 1.0 43.11 ? 30 PHE AC CZ 1 30 . A ATOM 1731 N N . CYS AC 1 31 ? -14.061 -30.932 34.348 1.0 36.49 ? 31 CYS AC N 1 31 . A ATOM 1732 C CA . CYS AC 1 31 ? -13.296 -31.719 33.396 1.0 38.66 ? 31 CYS AC CA 1 31 . A ATOM 1733 C C . CYS AC 1 31 ? -13.325 -33.149 33.789 1.0 40.73 ? 31 CYS AC C 1 31 . A ATOM 1734 O O . CYS AC 1 31 ? -13.783 -33.963 33.006 1.0 42.36 ? 31 CYS AC O 1 31 . A ATOM 1735 C CB . CYS AC 1 31 ? -11.863 -31.261 33.298 1.0 39.72 ? 31 CYS AC CB 1 31 . A ATOM 1736 S SG . CYS AC 1 31 ? -11.175 -31.645 31.687 1.0 40.74 ? 31 CYS AC SG 1 31 . A ATOM 1737 N N . SER AC 1 32 ? -12.946 -33.435 35.037 1.0 42.26 ? 32 SER AC N 1 32 . A ATOM 1738 C CA . SER AC 1 32 ? -13.009 -34.831 35.556 1.0 41.59 ? 32 SER AC CA 1 32 . A ATOM 1739 C C . SER AC 1 32 ? -14.281 -35.705 35.377 1.0 36.06 ? 32 SER AC C 1 32 . A ATOM 1740 O O . SER AC 1 32 ? -14.175 -36.905 35.353 1.0 37.61 ? 32 SER AC O 1 32 . A ATOM 1741 C CB . SER AC 1 32 ? -12.199 -35.103 36.865 1.0 42.09 ? 32 SER AC CB 1 32 . A ATOM 1742 O OG . SER AC 1 32 ? -12.725 -34.377 37.973 1.0 41.18 ? 32 SER AC OG 1 32 . A ATOM 1743 N N . ILE AC 1 33 ? -15.474 -35.177 35.221 1.0 30.34 ? 33 ILE AC N 1 33 . A ATOM 1744 C CA . ILE AC 1 33 ? -16.562 -36.144 35.034 1.0 31.26 ? 33 ILE AC CA 1 33 . A ATOM 1745 C C . ILE AC 1 33 ? -17.208 -36.128 33.625 1.0 28.5 ? 33 ILE AC C 1 33 . A ATOM 1746 O O . ILE AC 1 33 ? -17.762 -37.136 33.153 1.0 23.42 ? 33 ILE AC O 1 33 . A ATOM 1747 C CB . ILE AC 1 33 ? -17.725 -35.889 36.044 1.0 32.57 ? 33 ILE AC CB 1 33 . A ATOM 1748 C CG1 . ILE AC 1 33 ? -17.245 -35.683 37.487 1.0 29.33 ? 33 ILE AC CG1 1 33 . A ATOM 1749 C CG2 . ILE AC 1 33 ? -18.985 -36.709 35.712 1.0 32.21 ? 33 ILE AC CG2 1 33 . A ATOM 1750 C CD1 . ILE AC 1 33 ? -17.165 -34.242 37.745 1.0 27.98 ? 33 ILE AC CD1 1 33 . A ATOM 1751 N N . ARG AC 1 34 ? -17.200 -34.916 33.062 1.0 28.95 ? 34 ARG AC N 1 34 . A ATOM 1752 C CA . ARG AC 1 34 ? -17.738 -34.581 31.752 1.0 28.21 ? 34 ARG AC CA 1 34 . A ATOM 1753 C C . ARG AC 1 34 ? -16.635 -34.936 30.792 1.0 28.16 ? 34 ARG AC C 1 34 . A ATOM 1754 O O . ARG AC 1 34 ? -16.778 -35.876 30.021 1.0 31.43 ? 34 ARG AC O 1 34 . A ATOM 1755 C CB . ARG AC 1 34 ? -17.998 -33.099 31.671 1.0 28.19 ? 34 ARG AC CB 1 34 . A ATOM 1756 C CG . ARG AC 1 34 ? -19.371 -32.808 32.145 1.0 29.87 ? 34 ARG AC CG 1 34 . A ATOM 1757 C CD . ARG AC 1 34 ? -19.402 -31.430 32.670 1.0 34.58 ? 34 ARG AC CD 1 34 . A ATOM 1758 N NE . ARG AC 1 34 ? -20.685 -30.852 32.263 1.0 40.83 ? 34 ARG AC NE 1 34 . A ATOM 1759 C CZ . ARG AC 1 34 ? -20.829 -29.885 31.343 1.0 43.87 ? 34 ARG AC CZ 1 34 . A ATOM 1760 N NH1 . ARG AC 1 34 ? -19.754 -29.336 30.735 1.0 43.84 ? 34 ARG AC NH1 1 34 . A ATOM 1761 N NH2 . ARG AC 1 34 ? -22.062 -29.458 31.060 1.0 45.15 ? 34 ARG AC NH2 1 34 . A ATOM 1762 N N . GLY AC 1 35 ? -15.519 -34.252 30.925 1.0 23.98 ? 35 GLY AC N 1 35 . A ATOM 1763 C CA . GLY AC 1 35 ? -14.391 -34.467 30.076 1.0 20.63 ? 35 GLY AC CA 1 35 . A ATOM 1764 C C . GLY AC 1 35 ? -14.153 -33.099 29.596 1.0 20.97 ? 35 GLY AC C 1 35 . A ATOM 1765 O O . GLY AC 1 35 ? -14.913 -32.167 29.857 1.0 21.69 ? 35 GLY AC O 1 35 . A ATOM 1766 N N . PRO AC 1 36 ? -13.080 -32.977 28.877 1.0 23.25 ? 36 PRO AC N 1 36 . A ATOM 1767 C CA . PRO AC 1 36 ? -12.671 -31.740 28.268 1.0 25.32 ? 36 PRO AC CA 1 36 . A ATOM 1768 C C . PRO AC 1 36 ? -13.636 -31.403 27.165 1.0 27.91 ? 36 PRO AC C 1 36 . A ATOM 1769 O O . PRO AC 1 36 ? -14.384 -32.242 26.654 1.0 26.51 ? 36 PRO AC O 1 36 . A ATOM 1770 C CB . PRO AC 1 36 ? -11.361 -32.121 27.616 1.0 23.9 ? 36 PRO AC CB 1 36 . A ATOM 1771 C CG . PRO AC 1 36 ? -11.511 -33.578 27.342 1.0 22.81 ? 36 PRO AC CG 1 36 . A ATOM 1772 C CD . PRO AC 1 36 ? -12.805 -34.089 27.988 1.0 23.38 ? 36 PRO AC CD 1 36 . A ATOM 1773 N N . VAL AC 1 37 ? -13.622 -30.116 26.875 1.0 33.14 ? 37 VAL AC N 1 37 . A ATOM 1774 C CA . VAL AC 1 37 ? -14.402 -29.468 25.822 1.0 35.3 ? 37 VAL AC CA 1 37 . A ATOM 1775 C C . VAL AC 1 37 ? -13.483 -29.247 24.599 1.0 35.46 ? 37 VAL AC C 1 37 . A ATOM 1776 O O . VAL AC 1 37 ? -12.518 -28.438 24.622 1.0 34.13 ? 37 VAL AC O 1 37 . A ATOM 1777 C CB . VAL AC 1 37 ? -14.869 -28.120 26.307 1.0 35.48 ? 37 VAL AC CB 1 37 . A ATOM 1778 C CG1 . VAL AC 1 37 ? -15.177 -27.241 25.147 1.0 35.34 ? 37 VAL AC CG1 1 37 . A ATOM 1779 C CG2 . VAL AC 1 37 ? -16.061 -28.344 27.101 1.0 36.78 ? 37 VAL AC CG2 1 37 . A ATOM 1780 N N . ILE AC 1 38 ? -13.797 -30.022 23.562 1.0 36.47 ? 38 ILE AC N 1 38 . A ATOM 1781 C CA . ILE AC 1 38 ? -13.078 -30.023 22.294 1.0 35.22 ? 38 ILE AC CA 1 38 . A ATOM 1782 C C . ILE AC 1 38 ? -13.586 -28.977 21.317 1.0 32.58 ? 38 ILE AC C 1 38 . A ATOM 1783 O O . ILE AC 1 38 ? -14.744 -28.591 21.303 1.0 32.75 ? 38 ILE AC O 1 38 . A ATOM 1784 C CB . ILE AC 1 38 ? -13.149 -31.389 21.653 1.0 34.61 ? 38 ILE AC CB 1 38 . A ATOM 1785 C CG1 . ILE AC 1 38 ? -12.212 -32.343 22.414 1.0 33.41 ? 38 ILE AC CG1 1 38 . A ATOM 1786 C CG2 . ILE AC 1 38 ? -12.906 -31.273 20.184 1.0 34.08 ? 38 ILE AC CG2 1 38 . A ATOM 1787 C CD1 . ILE AC 1 38 ? -12.856 -32.907 23.603 1.0 32.32 ? 38 ILE AC CD1 1 38 . A ATOM 1788 N N . GLU AC 1 39 ? -12.657 -28.450 20.564 1.0 30.43 ? 39 GLU AC N 1 39 . A ATOM 1789 C CA . GLU AC 1 39 ? -12.949 -27.455 19.583 1.0 28.97 ? 39 GLU AC CA 1 39 . A ATOM 1790 C C . GLU AC 1 39 ? -11.905 -27.435 18.454 1.0 25.44 ? 39 GLU AC C 1 39 . A ATOM 1791 O O . GLU AC 1 39 ? -10.746 -27.113 18.640 1.0 22.64 ? 39 GLU AC O 1 39 . A ATOM 1792 C CB . GLU AC 1 39 ? -13.049 -26.127 20.254 1.0 33.85 ? 39 GLU AC CB 1 39 . A ATOM 1793 C CG . GLU AC 1 39 ? -12.512 -25.040 19.381 1.0 39.21 ? 39 GLU AC CG 1 39 . A ATOM 1794 C CD . GLU AC 1 39 ? -12.884 -23.674 19.951 1.0 45.37 ? 39 GLU AC CD 1 39 . A ATOM 1795 O OE1 . GLU AC 1 39 ? -12.773 -23.474 21.194 1.0 47.9 ? 39 GLU AC OE1 1 39 . A ATOM 1796 O OE2 . GLU AC 1 39 ? -13.285 -22.780 19.170 1.0 47.92 ? 39 GLU AC OE2 1 39 . A ATOM 1797 N N . GLN AC 1 40 ? -12.330 -27.822 17.263 1.0 27.03 ? 40 GLN AC N 1 40 . A ATOM 1798 C CA . GLN AC 1 40 ? -11.417 -27.809 16.129 1.0 28.99 ? 40 GLN AC CA 1 40 . A ATOM 1799 C C . GLN AC 1 40 ? -11.899 -26.930 14.974 1.0 29.88 ? 40 GLN AC C 1 40 . A ATOM 1800 O O . GLN AC 1 40 ? -13.081 -26.711 14.818 1.0 30.15 ? 40 GLN AC O 1 40 . A ATOM 1801 C CB . GLN AC 1 40 ? -11.197 -29.210 15.643 1.0 28.99 ? 40 GLN AC CB 1 40 . A ATOM 1802 C CG . GLN AC 1 40 ? -11.657 -30.225 16.587 1.0 29.1 ? 40 GLN AC CG 1 40 . A ATOM 1803 C CD . GLN AC 1 40 ? -12.442 -31.284 15.875 1.0 31.73 ? 40 GLN AC CD 1 40 . A ATOM 1804 O OE1 . GLN AC 1 40 ? -11.739 -32.277 15.293 1.0 27.55 ? 40 GLN AC OE1 1 40 . A ATOM 1805 N NE2 . GLN AC 1 40 ? -13.705 -31.204 15.834 1.0 35.19 ? 40 GLN AC NE2 1 40 . A ATOM 1806 N N . GLY AC 1 41 ? -10.991 -26.442 14.146 1.0 30.44 ? 41 GLY AC N 1 41 . A ATOM 1807 C CA . GLY AC 1 41 ? -11.387 -25.617 13.005 1.0 30.12 ? 41 GLY AC CA 1 41 . A ATOM 1808 C C . GLY AC 1 41 ? -10.206 -24.812 12.466 1.0 29.33 ? 41 GLY AC C 1 41 . A ATOM 1809 O O . GLY AC 1 41 ? -9.017 -25.138 12.699 1.0 26.41 ? 41 GLY AC O 1 41 . A ATOM 1810 N N . CYS AC 1 42 ? -10.556 -23.728 11.779 1.0 30.97 ? 42 CYS AC N 1 42 . A ATOM 1811 C CA . CYS AC 1 42 ? -9.567 -22.885 11.160 1.0 33.37 ? 42 CYS AC CA 1 42 . A ATOM 1812 C C . CYS AC 1 42 ? -9.012 -21.725 11.987 1.0 31.99 ? 42 CYS AC C 1 42 . A ATOM 1813 O O . CYS AC 1 42 ? -9.695 -20.723 12.210 1.0 32.93 ? 42 CYS AC O 1 42 . A ATOM 1814 C CB . CYS AC 1 42 ? -10.142 -22.344 9.829 1.0 39.19 ? 42 CYS AC CB 1 42 . A ATOM 1815 S SG . CYS AC 1 42 ? -10.596 -23.506 8.466 1.0 43.48 ? 42 CYS AC SG 1 42 . A ATOM 1816 N N . VAL AC 1 43 ? -7.756 -21.774 12.388 1.0 30.59 ? 43 VAL AC N 1 43 . A ATOM 1817 C CA . VAL AC 1 43 ? -7.254 -20.604 13.067 1.0 32.51 ? 43 VAL AC CA 1 43 . A ATOM 1818 C C . VAL AC 1 43 ? -6.242 -19.809 12.181 1.0 37.07 ? 43 VAL AC C 1 43 . A ATOM 1819 O O . VAL AC 1 43 ? -5.828 -20.306 11.145 1.0 38.19 ? 43 VAL AC O 1 43 . A ATOM 1820 C CB . VAL AC 1 43 ? -6.837 -20.901 14.534 1.0 30.71 ? 43 VAL AC CB 1 43 . A ATOM 1821 C CG1 . VAL AC 1 43 ? -5.750 -21.915 14.602 1.0 27.96 ? 43 VAL AC CG1 1 43 . A ATOM 1822 C CG2 . VAL AC 1 43 ? -6.520 -19.610 15.262 1.0 29.81 ? 43 VAL AC CG2 1 43 . A ATOM 1823 N N . ALA AC 1 44 ? -5.879 -18.572 12.533 1.0 37.59 ? 44 ALA AC N 1 44 . A ATOM 1824 C CA . ALA AC 1 44 ? -4.935 -17.775 11.744 1.0 37.43 ? 44 ALA AC CA 1 44 . A ATOM 1825 C C . ALA AC 1 44 ? -3.618 -17.786 12.380 1.0 40.72 ? 44 ALA AC C 1 44 . A ATOM 1826 O O . ALA AC 1 44 ? -2.625 -17.379 11.771 1.0 42.91 ? 44 ALA AC O 1 44 . A ATOM 1827 C CB . ALA AC 1 44 ? -5.321 -16.392 11.756 1.0 37.15 ? 44 ALA AC CB 1 44 . A ATOM 1828 N N . THR AC 1 45 ? -3.657 -18.130 13.666 1.0 42.19 ? 45 THR AC N 1 45 . A ATOM 1829 C CA . THR AC 1 45 ? -2.493 -18.261 14.528 1.0 40.76 ? 45 THR AC CA 1 45 . A ATOM 1830 C C . THR AC 1 45 ? -2.740 -19.488 15.356 1.0 40.64 ? 45 THR AC C 1 45 . A ATOM 1831 O O . THR AC 1 45 ? -3.820 -20.039 15.242 1.0 42.02 ? 45 THR AC O 1 45 . A ATOM 1832 C CB . THR AC 1 45 ? -2.529 -17.203 15.532 1.0 39.99 ? 45 THR AC CB 1 45 . A ATOM 1833 O OG1 . THR AC 1 45 ? -3.624 -16.339 15.230 1.0 39.23 ? 45 THR AC OG1 1 45 . A ATOM 1834 C CG2 . THR AC 1 45 ? -1.220 -16.499 15.513 1.0 40.58 ? 45 THR AC CG2 1 45 . A ATOM 1835 N N . CYS AC 1 46 ? -1.769 -19.920 16.166 1.0 38.84 ? 46 CYS AC N 1 46 . A ATOM 1836 C CA . CYS AC 1 46 ? -1.989 -21.046 17.062 1.0 39.0 ? 46 CYS AC CA 1 46 . A ATOM 1837 C C . CYS AC 1 46 ? -2.223 -20.383 18.416 1.0 38.56 ? 46 CYS AC C 1 46 . A ATOM 1838 O O . CYS AC 1 46 ? -1.330 -19.734 18.953 1.0 38.31 ? 46 CYS AC O 1 46 . A ATOM 1839 C CB . CYS AC 1 46 ? -0.787 -21.977 17.213 1.0 40.19 ? 46 CYS AC CB 1 46 . A ATOM 1840 S SG . CYS AC 1 46 ? -1.041 -23.461 18.275 1.0 39.6 ? 46 CYS AC SG 1 46 . A ATOM 1841 N N . PRO AC 1 47 ? -3.418 -20.574 18.983 1.0 38.29 ? 47 PRO AC N 1 47 . A ATOM 1842 C CA . PRO AC 1 47 ? -3.700 -20.016 20.279 1.0 36.44 ? 47 PRO AC CA 1 47 . A ATOM 1843 C C . PRO AC 1 47 ? -2.705 -20.429 21.358 1.0 33.88 ? 47 PRO AC C 1 47 . A ATOM 1844 O O . PRO AC 1 47 ? -2.351 -21.567 21.551 1.0 30.56 ? 47 PRO AC O 1 47 . A ATOM 1845 C CB . PRO AC 1 47 ? -5.103 -20.535 20.580 1.0 36.62 ? 47 PRO AC CB 1 47 . A ATOM 1846 C CG . PRO AC 1 47 ? -5.475 -21.507 19.479 1.0 34.78 ? 47 PRO AC CG 1 47 . A ATOM 1847 C CD . PRO AC 1 47 ? -4.256 -21.770 18.733 1.0 37.47 ? 47 PRO AC CD 1 47 . A ATOM 1848 N N . GLN AC 1 48 ? -2.216 -19.419 22.026 1.0 38.24 ? 48 GLN AC N 1 48 . A ATOM 1849 C CA . GLN AC 1 48 ? -1.297 -19.562 23.117 1.0 42.47 ? 48 GLN AC CA 1 48 . A ATOM 1850 C C . GLN AC 1 48 ? -1.972 -20.502 24.104 1.0 42.48 ? 48 GLN AC C 1 48 . A ATOM 1851 O O . GLN AC 1 48 ? -3.197 -20.371 24.406 1.0 40.12 ? 48 GLN AC O 1 48 . A ATOM 1852 C CB . GLN AC 1 48 ? -1.139 -18.186 23.775 1.0 48.02 ? 48 GLN AC CB 1 48 . A ATOM 1853 C CG . GLN AC 1 48 ? -0.224 -17.153 23.052 1.0 51.08 ? 48 GLN AC CG 1 48 . A ATOM 1854 C CD . GLN AC 1 48 ? 0.904 -17.834 22.297 1.0 53.59 ? 48 GLN AC CD 1 48 . A ATOM 1855 O OE1 . GLN AC 1 48 ? 1.887 -18.318 22.911 1.0 53.35 ? 48 GLN AC OE1 1 48 . A ATOM 1856 N NE2 . GLN AC 1 48 ? 0.761 -17.955 20.957 1.0 53.9 ? 48 GLN AC NE2 1 48 . A ATOM 1857 N N . PHE AC 1 49 ? -1.133 -21.418 24.606 1.0 43.74 ? 49 PHE AC N 1 49 . A ATOM 1858 C CA . PHE AC 1 49 ? -1.476 -22.517 25.530 1.0 44.79 ? 49 PHE AC CA 1 49 . A ATOM 1859 C C . PHE AC 1 49 ? -1.936 -22.162 26.982 1.0 48.93 ? 49 PHE AC C 1 49 . A ATOM 1860 O O . PHE AC 1 49 ? -1.101 -21.976 27.881 1.0 51.73 ? 49 PHE AC O 1 49 . A ATOM 1861 C CB . PHE AC 1 49 ? -0.323 -23.548 25.481 1.0 41.3 ? 49 PHE AC CB 1 49 . A ATOM 1862 C CG . PHE AC 1 49 ? -0.674 -24.915 25.983 1.0 39.12 ? 49 PHE AC CG 1 49 . A ATOM 1863 C CD1 . PHE AC 1 49 ? -1.439 -25.754 25.257 1.0 39.9 ? 49 PHE AC CD1 1 49 . A ATOM 1864 C CD2 . PHE AC 1 49 ? -0.215 -25.366 27.187 1.0 40.73 ? 49 PHE AC CD2 1 49 . A ATOM 1865 C CE1 . PHE AC 1 49 ? -1.716 -27.040 25.716 1.0 41.01 ? 49 PHE AC CE1 1 49 . A ATOM 1866 C CE2 . PHE AC 1 49 ? -0.517 -26.646 27.692 1.0 40.8 ? 49 PHE AC CE2 1 49 . A ATOM 1867 C CZ . PHE AC 1 49 ? -1.259 -27.485 26.959 1.0 40.7 ? 49 PHE AC CZ 1 49 . A ATOM 1868 N N . ARG AC 1 50 ? -3.260 -22.084 27.194 1.0 49.71 ? 50 ARG AC N 1 50 . A ATOM 1869 C CA . ARG AC 1 50 ? -3.888 -21.749 28.486 1.0 49.27 ? 50 ARG AC CA 1 50 . A ATOM 1870 C C . ARG AC 1 50 ? -3.715 -22.914 29.408 1.0 49.73 ? 50 ARG AC C 1 50 . A ATOM 1871 O O . ARG AC 1 50 ? -3.932 -24.035 28.989 1.0 51.13 ? 50 ARG AC O 1 50 . A ATOM 1872 C CB . ARG AC 1 50 ? -5.384 -21.446 28.333 1.0 48.2 ? 50 ARG AC CB 1 50 . A ATOM 1873 C CG . ARG AC 1 50 ? -5.610 -19.950 28.458 1.0 49.79 ? 50 ARG AC CG 1 50 . A ATOM 1874 C CD . ARG AC 1 50 ? -6.732 -19.380 27.558 1.0 52.42 ? 50 ARG AC CD 1 50 . A ATOM 1875 N NE . ARG AC 1 50 ? -7.894 -20.279 27.381 1.0 54.14 ? 50 ARG AC NE 1 50 . A ATOM 1876 C CZ . ARG AC 1 50 ? -9.081 -19.877 26.922 1.0 54.92 ? 50 ARG AC CZ 1 50 . A ATOM 1877 N NH1 . ARG AC 1 50 ? -9.287 -18.598 26.583 1.0 53.78 ? 50 ARG AC NH1 1 50 . A ATOM 1878 N NH2 . ARG AC 1 50 ? -10.060 -20.770 26.797 1.0 55.88 ? 50 ARG AC NH2 1 50 . A ATOM 1879 N N . SER AC 1 51 ? -3.329 -22.646 30.648 1.0 49.64 ? 51 SER AC N 1 51 . A ATOM 1880 C CA . SER AC 1 51 ? -3.098 -23.669 31.681 1.0 49.33 ? 51 SER AC CA 1 51 . A ATOM 1881 C C . SER AC 1 51 ? -4.229 -24.707 31.866 1.0 45.18 ? 51 SER AC C 1 51 . A ATOM 1882 O O . SER AC 1 51 ? -3.977 -25.868 32.235 1.0 44.71 ? 51 SER AC O 1 51 . A ATOM 1883 C CB . SER AC 1 51 ? -2.763 -22.986 33.026 1.0 53.28 ? 51 SER AC CB 1 51 . A ATOM 1884 O OG . SER AC 1 51 ? -1.498 -23.400 33.567 1.0 55.99 ? 51 SER AC OG 1 51 . A ATOM 1885 N N . ASN AC 1 52 ? -5.459 -24.278 31.594 1.0 42.18 ? 52 ASN AC N 1 52 . A ATOM 1886 C CA . ASN AC 1 52 ? -6.636 -25.124 31.627 1.0 41.02 ? 52 ASN AC CA 1 52 . A ATOM 1887 C C . ASN AC 1 52 ? -6.785 -26.154 30.486 1.0 35.61 ? 52 ASN AC C 1 52 . A ATOM 1888 O O . ASN AC 1 52 ? -7.828 -26.817 30.379 1.0 37.48 ? 52 ASN AC O 1 52 . A ATOM 1889 C CB . ASN AC 1 52 ? -7.867 -24.212 31.586 1.0 47.61 ? 52 ASN AC CB 1 52 . A ATOM 1890 C CG . ASN AC 1 52 ? -8.019 -23.407 30.261 1.0 53.41 ? 52 ASN AC CG 1 52 . A ATOM 1891 O OD1 . ASN AC 1 52 ? -7.238 -23.583 29.306 1.0 56.53 ? 52 ASN AC OD1 1 52 . A ATOM 1892 N ND2 . ASN AC 1 52 ? -9.027 -22.494 30.223 1.0 54.09 ? 52 ASN AC ND2 1 52 . A ATOM 1893 N N . TYR AC 1 53 ? -5.814 -26.311 29.597 1.0 29.78 ? 53 TYR AC N 1 53 . A ATOM 1894 C CA . TYR AC 1 53 ? -6.081 -27.273 28.550 1.0 28.46 ? 53 TYR AC CA 1 53 . A ATOM 1895 C C . TYR AC 1 53 ? -5.446 -28.617 28.788 1.0 28.38 ? 53 TYR AC C 1 53 . A ATOM 1896 O O . TYR AC 1 53 ? -4.373 -28.730 29.355 1.0 31.52 ? 53 TYR AC O 1 53 . A ATOM 1897 C CB . TYR AC 1 53 ? -5.673 -26.834 27.137 1.0 27.58 ? 53 TYR AC CB 1 53 . A ATOM 1898 C CG . TYR AC 1 53 ? -6.048 -25.489 26.517 1.0 27.0 ? 53 TYR AC CG 1 53 . A ATOM 1899 C CD1 . TYR AC 1 53 ? -7.370 -25.023 26.404 1.0 25.58 ? 53 TYR AC CD1 1 53 . A ATOM 1900 C CD2 . TYR AC 1 53 ? -5.073 -24.749 25.894 1.0 25.81 ? 53 TYR AC CD2 1 53 . A ATOM 1901 C CE1 . TYR AC 1 53 ? -7.625 -23.786 25.837 1.0 22.81 ? 53 TYR AC CE1 1 53 . A ATOM 1902 C CE2 . TYR AC 1 53 ? -5.367 -23.582 25.224 1.0 24.23 ? 53 TYR AC CE2 1 53 . A ATOM 1903 C CZ . TYR AC 1 53 ? -6.611 -23.109 25.235 1.0 22.13 ? 53 TYR AC CZ 1 53 . A ATOM 1904 O OH . TYR AC 1 53 ? -6.807 -21.944 24.549 1.0 21.54 ? 53 TYR AC OH 1 53 . A ATOM 1905 N N . ARG AC 1 54 ? -6.088 -29.640 28.264 1.0 24.77 ? 54 ARG AC N 1 54 . A ATOM 1906 C CA . ARG AC 1 54 ? -5.611 -30.946 28.381 1.0 22.37 ? 54 ARG AC CA 1 54 . A ATOM 1907 C C . ARG AC 1 54 ? -4.763 -31.100 27.150 1.0 25.45 ? 54 ARG AC C 1 54 . A ATOM 1908 O O . ARG AC 1 54 ? -3.988 -32.071 27.042 1.0 27.65 ? 54 ARG AC O 1 54 . A ATOM 1909 C CB . ARG AC 1 54 ? -6.805 -31.794 28.320 1.0 25.52 ? 54 ARG AC CB 1 54 . A ATOM 1910 C CG . ARG AC 1 54 ? -6.554 -33.239 28.136 1.0 32.99 ? 54 ARG AC CG 1 54 . A ATOM 1911 C CD . ARG AC 1 54 ? -6.259 -34.076 29.447 1.0 39.41 ? 54 ARG AC CD 1 54 . A ATOM 1912 N NE . ARG AC 1 54 ? -7.228 -33.889 30.551 1.0 43.93 ? 54 ARG AC NE 1 54 . A ATOM 1913 C CZ . ARG AC 1 54 ? -8.348 -34.596 30.737 1.0 45.32 ? 54 ARG AC CZ 1 54 . A ATOM 1914 N NH1 . ARG AC 1 54 ? -8.718 -35.544 29.868 1.0 43.69 ? 54 ARG AC NH1 1 54 . A ATOM 1915 N NH2 . ARG AC 1 54 ? -9.113 -34.315 31.798 1.0 46.65 ? 54 ARG AC NH2 1 54 . A ATOM 1916 N N . SER AC 1 55 ? -4.853 -30.137 26.218 1.0 24.35 ? 55 SER AC N 1 55 . A ATOM 1917 C CA . SER AC 1 55 ? -4.034 -30.170 24.981 1.0 22.71 ? 55 SER AC CA 1 55 . A ATOM 1918 C C . SER AC 1 55 ? -4.481 -29.369 23.835 1.0 20.43 ? 55 SER AC C 1 55 . A ATOM 1919 O O . SER AC 1 55 ? -5.661 -29.232 23.610 1.0 18.38 ? 55 SER AC O 1 55 . A ATOM 1920 C CB . SER AC 1 55 ? -3.861 -31.539 24.354 1.0 21.37 ? 55 SER AC CB 1 55 . A ATOM 1921 O OG . SER AC 1 55 ? -5.114 -31.880 23.902 1.0 19.0 ? 55 SER AC OG 1 55 . A ATOM 1922 N N . LEU AC 1 56 ? -3.442 -28.928 23.107 1.0 22.76 ? 56 LEU AC N 1 56 . A ATOM 1923 C CA . LEU AC 1 56 ? -3.455 -28.114 21.881 1.0 23.12 ? 56 LEU AC CA 1 56 . A ATOM 1924 C C . LEU AC 1 56 ? -2.673 -28.948 20.852 1.0 27.1 ? 56 LEU AC C 1 56 . A ATOM 1925 O O . LEU AC 1 56 ? -1.810 -29.750 21.205 1.0 27.93 ? 56 LEU AC O 1 56 . A ATOM 1926 C CB . LEU AC 1 56 ? -2.746 -26.802 22.081 1.0 18.26 ? 56 LEU AC CB 1 56 . A ATOM 1927 C CG . LEU AC 1 56 ? -3.608 -25.627 21.708 1.0 17.06 ? 56 LEU AC CG 1 56 . A ATOM 1928 C CD1 . LEU AC 1 56 ? -2.692 -24.488 21.469 1.0 17.48 ? 56 LEU AC CD1 1 56 . A ATOM 1929 C CD2 . LEU AC 1 56 ? -4.463 -25.853 20.499 1.0 16.57 ? 56 LEU AC CD2 1 56 . A ATOM 1930 N N . LEU AC 1 57 ? -3.095 -28.805 19.599 1.0 28.81 ? 57 LEU AC N 1 57 . A ATOM 1931 C CA . LEU AC 1 57 ? -2.601 -29.491 18.407 1.0 27.68 ? 57 LEU AC CA 1 57 . A ATOM 1932 C C . LEU AC 1 57 ? -2.779 -28.422 17.359 1.0 30.99 ? 57 LEU AC C 1 57 . A ATOM 1933 O O . LEU AC 1 57 ? -3.939 -28.001 17.122 1.0 31.34 ? 57 LEU AC O 1 57 . A ATOM 1934 C CB . LEU AC 1 57 ? -3.591 -30.544 17.972 1.0 25.62 ? 57 LEU AC CB 1 57 . A ATOM 1935 C CG . LEU AC 1 57 ? -3.076 -31.248 16.721 1.0 27.16 ? 57 LEU AC CG 1 57 . A ATOM 1936 C CD1 . LEU AC 1 57 ? -1.567 -31.468 16.842 1.0 30.76 ? 57 LEU AC CD1 1 57 . A ATOM 1937 C CD2 . LEU AC 1 57 ? -3.812 -32.451 16.104 1.0 24.93 ? 57 LEU AC CD2 1 57 . A ATOM 1938 N N . CYS AC 1 58 ? -1.674 -27.986 16.754 1.0 32.11 ? 58 CYS AC N 1 58 . A ATOM 1939 C CA . CYS AC 1 58 ? -1.720 -26.968 15.707 1.0 34.99 ? 58 CYS AC CA 1 58 . A ATOM 1940 C C . CYS AC 1 58 ? -0.901 -27.526 14.561 1.0 34.48 ? 58 CYS AC C 1 58 . A ATOM 1941 O O . CYS AC 1 58 ? 0.299 -27.798 14.737 1.0 33.44 ? 58 CYS AC O 1 58 . A ATOM 1942 C CB . CYS AC 1 58 ? -1.085 -25.683 16.195 1.0 38.44 ? 58 CYS AC CB 1 58 . A ATOM 1943 S SG . CYS AC 1 58 ? -2.235 -24.598 17.094 1.0 42.05 ? 58 CYS AC SG 1 58 . A ATOM 1944 N N . CYS AC 1 59 ? -1.560 -27.732 13.416 1.0 34.51 ? 59 CYS AC N 1 59 . A ATOM 1945 C CA . CYS AC 1 59 ? -0.939 -28.318 12.217 1.0 35.51 ? 59 CYS AC CA 1 59 . A ATOM 1946 C C . CYS AC 1 59 ? -1.362 -27.678 10.861 1.0 37.66 ? 59 CYS AC C 1 59 . A ATOM 1947 O O . CYS AC 1 59 ? -2.577 -27.465 10.624 1.0 39.07 ? 59 CYS AC O 1 59 . A ATOM 1948 C CB . CYS AC 1 59 ? -1.254 -29.783 12.181 1.0 32.47 ? 59 CYS AC CB 1 59 . A ATOM 1949 S SG . CYS AC 1 59 ? -3.053 -29.970 12.221 1.0 33.95 ? 59 CYS AC SG 1 59 . A ATOM 1950 N N . THR AC 1 60 ? -0.362 -27.381 9.997 1.0 34.55 ? 60 THR AC N 1 60 . A ATOM 1951 C CA . THR AC 1 60 ? -0.519 -26.763 8.663 1.0 28.91 ? 60 THR AC CA 1 60 . A ATOM 1952 C C . THR AC 1 60 ? -0.576 -27.918 7.671 1.0 24.34 ? 60 THR AC C 1 60 . A ATOM 1953 O O . THR AC 1 60 ? 0.433 -28.358 7.244 1.0 25.09 ? 60 THR AC O 1 60 . A ATOM 1954 C CB . THR AC 1 60 ? 0.771 -26.104 8.333 1.0 30.52 ? 60 THR AC CB 1 60 . A ATOM 1955 O OG1 . THR AC 1 60 ? 1.773 -27.070 8.539 1.0 32.11 ? 60 THR AC OG1 1 60 . A ATOM 1956 C CG2 . THR AC 1 60 ? 1.129 -24.961 9.296 1.0 31.83 ? 60 THR AC CG2 1 60 . A ATOM 1957 N N . THR AC 1 61 ? -1.758 -28.443 7.363 1.0 21.33 ? 61 THR AC N 1 61 . A ATOM 1958 C CA . THR AC 1 61 ? -1.939 -29.580 6.500 1.0 24.51 ? 61 THR AC CA 1 61 . A ATOM 1959 C C . THR AC 1 61 ? -3.440 -29.770 6.404 1.0 30.9 ? 61 THR AC C 1 61 . A ATOM 1960 O O . THR AC 1 61 ? -4.135 -29.413 7.314 1.0 32.25 ? 61 THR AC O 1 61 . A ATOM 1961 C CB . THR AC 1 61 ? -1.363 -30.815 7.087 1.0 24.78 ? 61 THR AC CB 1 61 . A ATOM 1962 O OG1 . THR AC 1 61 ? 0.048 -30.833 6.845 1.0 23.89 ? 61 THR AC OG1 1 61 . A ATOM 1963 C CG2 . THR AC 1 61 ? -2.045 -32.092 6.444 1.0 23.47 ? 61 THR AC CG2 1 61 . A ATOM 1964 N N . ASP AC 1 62 ? -4.029 -30.197 5.300 1.0 36.04 ? 62 ASP AC N 1 62 . A ATOM 1965 C CA . ASP AC 1 62 ? -5.493 -30.128 5.406 1.0 38.53 ? 62 ASP AC CA 1 62 . A ATOM 1966 C C . ASP AC 1 62 ? -6.075 -31.132 6.326 1.0 39.11 ? 62 ASP AC C 1 62 . A ATOM 1967 O O . ASP AC 1 62 ? -5.620 -32.259 6.321 1.0 39.74 ? 62 ASP AC O 1 62 . A ATOM 1968 C CB . ASP AC 1 62 ? -6.306 -29.961 4.091 1.0 38.06 ? 62 ASP AC CB 1 62 . A ATOM 1969 C CG . ASP AC 1 62 ? -5.669 -29.002 3.116 1.0 38.1 ? 62 ASP AC CG 1 62 . A ATOM 1970 O OD1 . ASP AC 1 62 ? -5.194 -27.928 3.521 1.0 37.54 ? 62 ASP AC OD1 1 62 . A ATOM 1971 O OD2 . ASP AC 1 62 ? -5.592 -29.368 1.929 1.0 39.69 ? 62 ASP AC OD2 1 62 . A ATOM 1972 N N . ASN AC 1 63 ? -7.066 -30.719 7.104 1.0 39.62 ? 63 ASN AC N 1 63 . A ATOM 1973 C CA . ASN AC 1 63 ? -7.710 -31.658 7.983 1.0 41.11 ? 63 ASN AC CA 1 63 . A ATOM 1974 C C . ASN AC 1 63 ? -6.661 -32.381 8.867 1.0 39.42 ? 63 ASN AC C 1 63 . A ATOM 1975 O O . ASN AC 1 63 ? -6.820 -33.558 9.257 1.0 37.16 ? 63 ASN AC O 1 63 . A ATOM 1976 C CB . ASN AC 1 63 ? -8.421 -32.679 7.116 1.0 45.56 ? 63 ASN AC CB 1 63 . A ATOM 1977 C CG . ASN AC 1 63 ? -9.576 -32.079 6.368 1.0 51.66 ? 63 ASN AC CG 1 63 . A ATOM 1978 O OD1 . ASN AC 1 63 ? -10.596 -32.757 6.122 1.0 54.75 ? 63 ASN AC OD1 1 63 . A ATOM 1979 N ND2 . ASN AC 1 63 ? -9.465 -30.782 6.009 1.0 53.52 ? 63 ASN AC ND2 1 63 . A ATOM 1980 N N . CYS AC 1 64 ? -5.555 -31.697 9.154 1.0 36.89 ? 64 CYS AC N 1 64 . A ATOM 1981 C CA . CYS AC 1 64 ? -4.592 -32.377 9.934 1.0 32.6 ? 64 CYS AC CA 1 64 . A ATOM 1982 C C . CYS AC 1 64 ? -5.064 -32.410 11.383 1.0 32.93 ? 64 CYS AC C 1 64 . A ATOM 1983 O O . CYS AC 1 64 ? -4.726 -33.349 12.094 1.0 33.23 ? 64 CYS AC O 1 64 . A ATOM 1984 C CB . CYS AC 1 64 ? -3.274 -31.719 9.751 1.0 28.49 ? 64 CYS AC CB 1 64 . A ATOM 1985 S SG . CYS AC 1 64 ? -3.510 -30.059 10.239 1.0 29.69 ? 64 CYS AC SG 1 64 . A ATOM 1986 N N . ASN AC 1 65 ? -5.906 -31.456 11.776 1.0 32.28 ? 65 ASN AC N 1 65 . A ATOM 1987 C CA . ASN AC 1 65 ? -6.406 -31.396 13.155 1.0 33.07 ? 65 ASN AC CA 1 65 . A ATOM 1988 C C . ASN AC 1 65 ? -7.394 -32.499 13.533 1.0 38.54 ? 65 ASN AC C 1 65 . A ATOM 1989 O O . ASN AC 1 65 ? -8.590 -32.286 13.721 1.0 37.87 ? 65 ASN AC O 1 65 . A ATOM 1990 C CB . ASN AC 1 65 ? -7.039 -30.060 13.444 1.0 27.29 ? 65 ASN AC CB 1 65 . A ATOM 1991 C CG . ASN AC 1 65 ? -8.153 -29.854 12.569 1.0 23.59 ? 65 ASN AC CG 1 65 . A ATOM 1992 O OD1 . ASN AC 1 65 ? -8.180 -30.510 11.543 1.0 22.84 ? 65 ASN AC OD1 1 65 . A ATOM 1993 N ND2 . ASN AC 1 65 ? -9.135 -29.106 12.975 1.0 22.29 ? 65 ASN AC ND2 1 65 . A ATOM 1994 N N . HIS AC 1 66 ? -6.862 -33.702 13.677 1.0 44.9 ? 66 HIS AC N 1 66 . A ATOM 1995 C CA . HIS AC 1 66 ? -7.656 -34.851 14.075 1.0 49.51 ? 66 HIS AC CA 1 66 . A ATOM 1996 C C . HIS AC 1 66 ? -6.784 -35.694 14.950 1.0 49.34 ? 66 HIS AC C 1 66 . A ATOM 1997 O O . HIS AC 1 66 ? -5.547 -35.542 14.726 1.0 47.93 ? 66 HIS AC O 1 66 . A ATOM 1998 C CB . HIS AC 1 66 ? -8.135 -35.729 12.864 1.0 54.59 ? 66 HIS AC CB 1 66 . A ATOM 1999 C CG . HIS AC 1 66 ? -7.076 -36.622 12.269 1.0 57.7 ? 66 HIS AC CG 1 66 . A ATOM 2000 N ND1 . HIS AC 1 66 ? -6.161 -36.163 11.342 1.0 59.64 ? 66 HIS AC ND1 1 66 . A ATOM 2001 C CD2 . HIS AC 1 66 ? -6.835 -37.950 12.414 1.0 57.66 ? 66 HIS AC CD2 1 66 . A ATOM 2002 C CE1 . HIS AC 1 66 ? -5.359 -37.156 10.986 1.0 59.91 ? 66 HIS AC CE1 1 66 . A ATOM 2003 N NE2 . HIS AC 1 66 ? -5.737 -38.247 11.631 1.0 58.88 ? 66 HIS AC NE2 1 66 . A ATOM 2004 O OXT . HIS AC 1 66 ? -7.438 -36.448 15.718 1.0 50.95 ? 66 HIS AC OXT 1 66 . A ATOM 2005 N N . ARG AD 1 1 ? -16.822 17.422 3.805 1.0 33.26 ? 1 ARG AD N 1 1 . A ATOM 2006 C CA . ARG AD 1 1 ? -18.047 18.173 3.549 1.0 35.16 ? 1 ARG AD CA 1 1 . A ATOM 2007 C C . ARG AD 1 1 ? -17.905 19.630 3.939 1.0 35.05 ? 1 ARG AD C 1 1 . A ATOM 2008 O O . ARG AD 1 1 ? -16.808 20.156 3.961 1.0 38.18 ? 1 ARG AD O 1 1 . A ATOM 2009 C CB . ARG AD 1 1 ? -19.169 17.527 4.386 1.0 38.85 ? 1 ARG AD CB 1 1 . A ATOM 2010 C CG . ARG AD 1 1 ? -18.734 16.680 5.583 1.0 40.56 ? 1 ARG AD CG 1 1 . A ATOM 2011 C CD . ARG AD 1 1 ? -19.974 16.246 6.320 1.0 42.72 ? 1 ARG AD CD 1 1 . A ATOM 2012 N NE . ARG AD 1 1 ? -20.572 15.003 5.814 1.0 46.89 ? 1 ARG AD NE 1 1 . A ATOM 2013 C CZ . ARG AD 1 1 ? -21.389 14.933 4.753 1.0 49.39 ? 1 ARG AD CZ 1 1 . A ATOM 2014 N NH1 . ARG AD 1 1 ? -21.684 16.056 4.065 1.0 49.8 ? 1 ARG AD NH1 1 1 . A ATOM 2015 N NH2 . ARG AD 1 1 ? -21.924 13.745 4.398 1.0 49.33 ? 1 ARG AD NH2 1 1 . A ATOM 2016 N N . THR AD 1 2 ? -18.988 20.303 4.287 1.0 34.88 ? 2 THR AD N 1 2 . A ATOM 2017 C CA . THR AD 1 2 ? -18.853 21.662 4.838 1.0 35.42 ? 2 THR AD CA 1 2 . A ATOM 2018 C C . THR AD 1 2 ? -19.569 21.597 6.166 1.0 31.19 ? 2 THR AD C 1 2 . A ATOM 2019 O O . THR AD 1 2 ? -20.515 20.839 6.339 1.0 29.4 ? 2 THR AD O 1 2 . A ATOM 2020 C CB . THR AD 1 2 ? -19.542 22.770 4.064 1.0 39.11 ? 2 THR AD CB 1 2 . A ATOM 2021 O OG1 . THR AD 1 2 ? -20.499 22.194 3.182 1.0 43.5 ? 2 THR AD OG1 1 2 . A ATOM 2022 C CG2 . THR AD 1 2 ? -18.551 23.547 3.280 1.0 39.88 ? 2 THR AD CG2 1 2 . A ATOM 2023 N N . CYS AD 1 3 ? -19.110 22.405 7.106 1.0 31.28 ? 3 CYS AD N 1 3 . A ATOM 2024 C CA . CYS AD 1 3 ? -19.692 22.459 8.454 1.0 27.97 ? 3 CYS AD CA 1 3 . A ATOM 2025 C C . CYS AD 1 3 ? -19.661 23.882 8.941 1.0 26.3 ? 3 CYS AD C 1 3 . A ATOM 2026 O O . CYS AD 1 3 ? -18.896 24.742 8.418 1.0 22.94 ? 3 CYS AD O 1 3 . A ATOM 2027 C CB . CYS AD 1 3 ? -18.767 21.723 9.337 1.0 27.05 ? 3 CYS AD CB 1 3 . A ATOM 2028 S SG . CYS AD 1 3 ? -18.655 19.969 8.937 1.0 27.84 ? 3 CYS AD SG 1 3 . A ATOM 2029 N N . LEU AD 1 4 ? -20.478 24.167 9.958 1.0 26.9 ? 4 LEU AD N 1 4 . A ATOM 2030 C CA . LEU AD 1 4 ? -20.400 25.527 10.524 1.0 25.03 ? 4 LEU AD CA 1 4 . A ATOM 2031 C C . LEU AD 1 4 ? -19.133 25.708 11.432 1.0 24.06 ? 4 LEU AD C 1 4 . A ATOM 2032 O O . LEU AD 1 4 ? -18.574 24.731 11.929 1.0 21.5 ? 4 LEU AD O 1 4 . A ATOM 2033 C CB . LEU AD 1 4 ? -21.712 25.879 11.181 1.0 25.9 ? 4 LEU AD CB 1 4 . A ATOM 2034 C CG . LEU AD 1 4 ? -22.643 26.625 10.205 1.0 31.57 ? 4 LEU AD CG 1 4 . A ATOM 2035 C CD1 . LEU AD 1 4 ? -22.208 28.061 9.716 1.0 31.19 ? 4 LEU AD CD1 1 4 . A ATOM 2036 C CD2 . LEU AD 1 4 ? -22.956 25.807 8.940 1.0 33.19 ? 4 LEU AD CD2 1 4 . A ATOM 2037 N N . ILE AD 1 5 ? -18.641 26.932 11.610 1.0 28.6 ? 5 ILE AD N 1 5 . A ATOM 2038 C CA . ILE AD 1 5 ? -17.514 27.197 12.546 1.0 33.21 ? 5 ILE AD CA 1 5 . A ATOM 2039 C C . ILE AD 1 5 ? -17.805 28.153 13.720 1.0 36.36 ? 5 ILE AD C 1 5 . A ATOM 2040 O O . ILE AD 1 5 ? -18.335 29.239 13.547 1.0 35.93 ? 5 ILE AD O 1 5 . A ATOM 2041 C CB . ILE AD 1 5 ? -16.143 27.586 11.979 1.0 31.13 ? 5 ILE AD CB 1 5 . A ATOM 2042 C CG1 . ILE AD 1 5 ? -16.163 28.906 11.240 1.0 33.46 ? 5 ILE AD CG1 1 5 . A ATOM 2043 C CG2 . ILE AD 1 5 ? -15.456 26.421 11.468 1.0 30.07 ? 5 ILE AD CG2 1 5 . A ATOM 2044 C CD1 . ILE AD 1 5 ? -14.880 29.687 11.398 1.0 35.94 ? 5 ILE AD CD1 1 5 . A ATOM 2045 N N . SER AD 1 6 ? -17.378 27.718 14.901 1.0 39.16 ? 6 SER AD N 1 6 . A ATOM 2046 C CA . SER AD 1 6 ? -17.587 28.419 16.168 1.0 38.77 ? 6 SER AD CA 1 6 . A ATOM 2047 C C . SER AD 1 6 ? -18.172 29.791 16.233 1.0 40.15 ? 6 SER AD C 1 6 . A ATOM 2048 O O . SER AD 1 6 ? -19.373 29.948 16.014 1.0 42.86 ? 6 SER AD O 1 6 . A ATOM 2049 C CB . SER AD 1 6 ? -16.536 28.190 17.298 1.0 36.98 ? 6 SER AD CB 1 6 . A ATOM 2050 O OG . SER AD 1 6 ? -15.830 26.959 17.252 1.0 35.88 ? 6 SER AD OG 1 6 . A ATOM 2051 N N . PRO AD 1 7 ? -17.290 30.741 16.557 1.0 39.41 ? 7 PRO AD N 1 7 . A ATOM 2052 C CA . PRO AD 1 7 ? -17.596 32.096 16.923 1.0 36.66 ? 7 PRO AD CA 1 7 . A ATOM 2053 C C . PRO AD 1 7 ? -18.651 32.574 16.072 1.0 37.33 ? 7 PRO AD C 1 7 . A ATOM 2054 O O . PRO AD 1 7 ? -19.774 32.693 16.553 1.0 40.9 ? 7 PRO AD O 1 7 . A ATOM 2055 C CB . PRO AD 1 7 ? -16.316 32.846 16.695 1.0 35.46 ? 7 PRO AD CB 1 7 . A ATOM 2056 C CG . PRO AD 1 7 ? -15.254 31.763 16.479 1.0 37.38 ? 7 PRO AD CG 1 7 . A ATOM 2057 C CD . PRO AD 1 7 ? -16.044 30.700 15.775 1.0 38.92 ? 7 PRO AD CD 1 7 . A ATOM 2058 N N . SER AD 1 8 ? -18.348 32.680 14.795 1.0 35.58 ? 8 SER AD N 1 8 . A ATOM 2059 C CA . SER AD 1 8 ? -19.278 33.235 13.804 1.0 33.57 ? 8 SER AD CA 1 8 . A ATOM 2060 C C . SER AD 1 8 ? -20.243 32.301 13.230 1.0 29.88 ? 8 SER AD C 1 8 . A ATOM 2061 O O . SER AD 1 8 ? -21.078 32.721 12.475 1.0 25.94 ? 8 SER AD O 1 8 . A ATOM 2062 C CB . SER AD 1 8 ? -18.469 33.606 12.596 1.0 34.49 ? 8 SER AD CB 1 8 . A ATOM 2063 O OG . SER AD 1 8 ? -17.850 32.396 12.197 1.0 36.91 ? 8 SER AD OG 1 8 . A ATOM 2064 N N . SER AD 1 9 ? -20.035 31.025 13.472 1.0 34.32 ? 9 SER AD N 1 9 . A ATOM 2065 C CA . SER AD 1 9 ? -20.908 30.013 12.878 1.0 37.33 ? 9 SER AD CA 1 9 . A ATOM 2066 C C . SER AD 1 9 ? -21.073 30.231 11.367 1.0 37.82 ? 9 SER AD C 1 9 . A ATOM 2067 O O . SER AD 1 9 ? -22.178 30.584 10.963 1.0 37.26 ? 9 SER AD O 1 9 . A ATOM 2068 C CB . SER AD 1 9 ? -22.291 30.090 13.545 1.0 37.33 ? 9 SER AD CB 1 9 . A ATOM 2069 O OG . SER AD 1 9 ? -22.305 29.264 14.686 1.0 36.81 ? 9 SER AD OG 1 9 . A ATOM 2070 N N . THR AD 1 10 ? -20.010 30.110 10.548 1.0 37.71 ? 10 THR AD N 1 10 . A ATOM 2071 C CA . THR AD 1 10 ? -20.144 30.304 9.075 1.0 34.08 ? 10 THR AD CA 1 10 . A ATOM 2072 C C . THR AD 1 10 ? -19.665 29.039 8.405 1.0 33.96 ? 10 THR AD C 1 10 . A ATOM 2073 O O . THR AD 1 10 ? -19.293 28.085 9.069 1.0 36.46 ? 10 THR AD O 1 10 . A ATOM 2074 C CB . THR AD 1 10 ? -19.225 31.349 8.537 1.0 30.11 ? 10 THR AD CB 1 10 . A ATOM 2075 O OG1 . THR AD 1 10 ? -17.933 30.763 8.548 1.0 35.16 ? 10 THR AD OG1 1 10 . A ATOM 2076 C CG2 . THR AD 1 10 ? -19.154 32.501 9.368 1.0 25.16 ? 10 THR AD CG2 1 10 . A ATOM 2077 N N . PRO AD 1 11 ? -19.622 28.989 7.085 1.0 32.01 ? 11 PRO AD N 1 11 . A ATOM 2078 C CA . PRO AD 1 11 ? -19.195 27.729 6.518 1.0 30.04 ? 11 PRO AD CA 1 11 . A ATOM 2079 C C . PRO AD 1 11 ? -17.695 27.589 6.206 1.0 28.77 ? 11 PRO AD C 1 11 . A ATOM 2080 O O . PRO AD 1 11 ? -16.981 28.558 5.853 1.0 27.14 ? 11 PRO AD O 1 11 . A ATOM 2081 C CB . PRO AD 1 11 ? -20.070 27.592 5.273 1.0 30.75 ? 11 PRO AD CB 1 11 . A ATOM 2082 C CG . PRO AD 1 11 ? -21.189 28.452 5.491 1.0 31.57 ? 11 PRO AD CG 1 11 . A ATOM 2083 C CD . PRO AD 1 11 ? -20.630 29.639 6.248 1.0 31.51 ? 11 PRO AD CD 1 11 . A ATOM 2084 N N . GLN AD 1 12 ? -17.207 26.362 6.353 1.0 27.47 ? 12 GLN AD N 1 12 . A ATOM 2085 C CA . GLN AD 1 12 ? -15.824 26.116 6.042 1.0 28.63 ? 12 GLN AD CA 1 12 . A ATOM 2086 C C . GLN AD 1 12 ? -15.883 24.710 5.580 1.0 32.0 ? 12 GLN AD C 1 12 . A ATOM 2087 O O . GLN AD 1 12 ? -16.786 23.961 6.001 1.0 33.33 ? 12 GLN AD O 1 12 . A ATOM 2088 C CB . GLN AD 1 12 ? -14.883 26.195 7.238 1.0 29.35 ? 12 GLN AD CB 1 12 . A ATOM 2089 C CG . GLN AD 1 12 ? -14.555 24.814 7.818 1.0 29.39 ? 12 GLN AD CG 1 12 . A ATOM 2090 C CD . GLN AD 1 12 ? -13.308 24.766 8.678 1.0 30.23 ? 12 GLN AD CD 1 12 . A ATOM 2091 O OE1 . GLN AD 1 12 ? -13.000 23.690 9.187 1.0 33.72 ? 12 GLN AD OE1 1 12 . A ATOM 2092 N NE2 . GLN AD 1 12 ? -12.573 25.879 8.807 1.0 26.9 ? 12 GLN AD NE2 1 12 . A ATOM 2093 N N . THR AD 1 13 ? -14.936 24.407 4.692 1.0 33.8 ? 13 THR AD N 1 13 . A ATOM 2094 C CA . THR AD 1 13 ? -14.800 23.159 3.974 1.0 33.97 ? 13 THR AD CA 1 13 . A ATOM 2095 C C . THR AD 1 13 ? -13.787 22.225 4.612 1.0 35.11 ? 13 THR AD C 1 13 . A ATOM 2096 O O . THR AD 1 13 ? -12.576 22.543 4.675 1.0 34.32 ? 13 THR AD O 1 13 . A ATOM 2097 C CB . THR AD 1 13 ? -14.259 23.543 2.592 1.0 34.35 ? 13 THR AD CB 1 13 . A ATOM 2098 O OG1 . THR AD 1 13 ? -14.982 24.674 2.115 1.0 33.3 ? 13 THR AD OG1 1 13 . A ATOM 2099 C CG2 . THR AD 1 13 ? -14.380 22.373 1.611 1.0 33.31 ? 13 THR AD CG2 1 13 . A ATOM 2100 N N . CYS AD 1 14 ? -14.281 21.081 5.071 1.0 37.22 ? 14 CYS AD N 1 14 . A ATOM 2101 C CA . CYS AD 1 14 ? -13.435 20.103 5.730 1.0 42.45 ? 14 CYS AD CA 1 14 . A ATOM 2102 C C . CYS AD 1 14 ? -12.315 19.573 4.838 1.0 47.61 ? 14 CYS AD C 1 14 . A ATOM 2103 O O . CYS AD 1 14 ? -12.319 19.754 3.620 1.0 49.29 ? 14 CYS AD O 1 14 . A ATOM 2104 C CB . CYS AD 1 14 ? -14.291 18.932 6.223 1.0 43.25 ? 14 CYS AD CB 1 14 . A ATOM 2105 S SG . CYS AD 1 14 ? -15.711 19.439 7.241 1.0 46.92 ? 14 CYS AD SG 1 14 . A ATOM 2106 N N . PRO AD 1 15 ? -11.356 18.897 5.434 1.0 50.77 ? 15 PRO AD N 1 15 . A ATOM 2107 C CA . PRO AD 1 15 ? -10.294 18.289 4.651 1.0 53.91 ? 15 PRO AD CA 1 15 . A ATOM 2108 C C . PRO AD 1 15 ? -10.602 16.778 4.596 1.0 56.51 ? 15 PRO AD C 1 15 . A ATOM 2109 O O . PRO AD 1 15 ? -11.654 16.353 5.088 1.0 57.31 ? 15 PRO AD O 1 15 . A ATOM 2110 C CB . PRO AD 1 15 ? -9.029 18.737 5.415 1.0 53.68 ? 15 PRO AD CB 1 15 . A ATOM 2111 C CG . PRO AD 1 15 ? -9.429 20.240 5.917 1.0 51.99 ? 15 PRO AD CG 1 15 . A ATOM 2112 C CD . PRO AD 1 15 ? -10.983 20.267 5.869 1.0 51.13 ? 15 PRO AD CD 1 15 . A ATOM 2113 N N . ASN AD 1 16 ? -9.790 15.968 3.922 1.0 58.64 ? 16 ASN AD N 1 16 . A ATOM 2114 C CA . ASN AD 1 16 ? -10.138 14.544 3.825 1.0 61.9 ? 16 ASN AD CA 1 16 . A ATOM 2115 C C . ASN AD 1 16 ? -10.124 14.026 5.219 1.0 62.5 ? 16 ASN AD C 1 16 . A ATOM 2116 O O . ASN AD 1 16 ? -9.214 14.371 5.975 1.0 64.81 ? 16 ASN AD O 1 16 . A ATOM 2117 C CB . ASN AD 1 16 ? -9.097 13.741 2.990 1.0 66.15 ? 16 ASN AD CB 1 16 . A ATOM 2118 C CG . ASN AD 1 16 ? -8.031 12.950 3.867 1.0 69.06 ? 16 ASN AD CG 1 16 . A ATOM 2119 O OD1 . ASN AD 1 16 ? -7.793 11.734 3.653 1.0 68.72 ? 16 ASN AD OD1 1 16 . A ATOM 2120 N ND2 . ASN AD 1 16 ? -7.354 13.665 4.799 1.0 70.32 ? 16 ASN AD ND2 1 16 . A ATOM 2121 N N . GLY AD 1 17 ? -11.079 13.192 5.588 1.0 60.85 ? 17 GLY AD N 1 17 . A ATOM 2122 C CA . GLY AD 1 17 ? -10.990 12.658 6.940 1.0 59.85 ? 17 GLY AD CA 1 17 . A ATOM 2123 C C . GLY AD 1 17 ? -12.006 13.305 7.862 1.0 59.35 ? 17 GLY AD C 1 17 . A ATOM 2124 O O . GLY AD 1 17 ? -12.572 12.628 8.763 1.0 60.92 ? 17 GLY AD O 1 17 . A ATOM 2125 N N . GLN AD 1 18 ? -12.242 14.604 7.626 1.0 54.68 ? 18 GLN AD N 1 18 . A ATOM 2126 C CA . GLN AD 1 18 ? -13.211 15.365 8.397 1.0 49.07 ? 18 GLN AD CA 1 18 . A ATOM 2127 C C . GLN AD 1 18 ? -14.501 15.294 7.578 1.0 47.8 ? 18 GLN AD C 1 18 . A ATOM 2128 O O . GLN AD 1 18 ? -14.826 16.173 6.751 1.0 47.3 ? 18 GLN AD O 1 18 . A ATOM 2129 C CB . GLN AD 1 18 ? -12.691 16.767 8.640 1.0 47.09 ? 18 GLN AD CB 1 18 . A ATOM 2130 C CG . GLN AD 1 18 ? -11.234 16.788 9.225 1.0 46.09 ? 18 GLN AD CG 1 18 . A ATOM 2131 C CD . GLN AD 1 18 ? -10.782 18.168 9.730 1.0 46.53 ? 18 GLN AD CD 1 18 . A ATOM 2132 O OE1 . GLN AD 1 18 ? -10.444 19.079 8.949 1.0 48.08 ? 18 GLN AD OE1 1 18 . A ATOM 2133 N NE2 . GLN AD 1 18 ? -10.767 18.326 11.045 1.0 46.26 ? 18 GLN AD NE2 1 18 . A ATOM 2134 N N . ASP AD 1 19 ? -15.163 14.150 7.788 1.0 47.6 ? 19 ASP AD N 1 19 . A ATOM 2135 C CA . ASP AD 1 19 ? -16.413 13.742 7.150 1.0 49.39 ? 19 ASP AD CA 1 19 . A ATOM 2136 C C . ASP AD 1 19 ? -17.636 14.102 7.992 1.0 46.39 ? 19 ASP AD C 1 19 . A ATOM 2137 O O . ASP AD 1 19 ? -18.790 14.040 7.495 1.0 45.43 ? 19 ASP AD O 1 19 . A ATOM 2138 C CB . ASP AD 1 19 ? -16.426 12.224 6.811 1.0 54.58 ? 19 ASP AD CB 1 19 . A ATOM 2139 C CG . ASP AD 1 19 ? -16.051 11.285 8.009 1.0 60.55 ? 19 ASP AD CG 1 19 . A ATOM 2140 O OD1 . ASP AD 1 19 ? -14.854 11.212 8.400 1.0 61.98 ? 19 ASP AD OD1 1 19 . A ATOM 2141 O OD2 . ASP AD 1 19 ? -16.943 10.546 8.525 1.0 63.59 ? 19 ASP AD OD2 1 19 . A ATOM 2142 N N . ILE AD 1 20 ? -17.360 14.470 9.256 1.0 40.82 ? 20 ILE AD N 1 20 . A ATOM 2143 C CA . ILE AD 1 20 ? -18.373 14.792 10.260 1.0 34.86 ? 20 ILE AD CA 1 20 . A ATOM 2144 C C . ILE AD 1 20 ? -18.337 16.202 10.881 1.0 31.88 ? 20 ILE AD C 1 20 . A ATOM 2145 O O . ILE AD 1 20 ? -17.266 16.685 11.249 1.0 31.6 ? 20 ILE AD O 1 20 . A ATOM 2146 C CB . ILE AD 1 20 ? -18.217 13.815 11.425 1.0 33.62 ? 20 ILE AD CB 1 20 . A ATOM 2147 C CG1 . ILE AD 1 20 ? -18.231 12.364 10.950 1.0 32.73 ? 20 ILE AD CG1 1 20 . A ATOM 2148 C CG2 . ILE AD 1 20 ? -19.229 14.096 12.509 1.0 34.14 ? 20 ILE AD CG2 1 20 . A ATOM 2149 C CD1 . ILE AD 1 20 ? -17.572 11.418 11.952 1.0 31.33 ? 20 ILE AD CD1 1 20 . A ATOM 2150 N N . CYS AD 1 21 ? -19.497 16.840 11.037 1.0 29.77 ? 21 CYS AD N 1 21 . A ATOM 2151 C CA . CYS AD 1 21 ? -19.560 18.140 11.699 1.0 30.43 ? 21 CYS AD CA 1 21 . A ATOM 2152 C C . CYS AD 1 21 ? -19.965 18.039 13.204 1.0 29.65 ? 21 CYS AD C 1 21 . A ATOM 2153 O O . CYS AD 1 21 ? -20.707 17.138 13.602 1.0 27.36 ? 21 CYS AD O 1 21 . A ATOM 2154 C CB . CYS AD 1 21 ? -20.646 18.990 11.087 1.0 30.73 ? 21 CYS AD CB 1 21 . A ATOM 2155 S SG . CYS AD 1 21 ? -20.549 19.366 9.334 1.0 29.63 ? 21 CYS AD SG 1 21 . A ATOM 2156 N N . PHE AD 1 22 ? -19.549 18.990 14.025 1.0 28.89 ? 22 PHE AD N 1 22 . A ATOM 2157 C CA . PHE AD 1 22 ? -20.030 18.905 15.390 1.0 28.7 ? 22 PHE AD CA 1 22 . A ATOM 2158 C C . PHE AD 1 22 ? -20.336 20.233 16.026 1.0 27.23 ? 22 PHE AD C 1 22 . A ATOM 2159 O O . PHE AD 1 22 ? -19.904 21.318 15.596 1.0 25.46 ? 22 PHE AD O 1 22 . A ATOM 2160 C CB . PHE AD 1 22 ? -19.117 18.136 16.314 1.0 29.45 ? 22 PHE AD CB 1 22 . A ATOM 2161 C CG . PHE AD 1 22 ? -17.860 18.864 16.610 1.0 31.37 ? 22 PHE AD CG 1 22 . A ATOM 2162 C CD1 . PHE AD 1 22 ? -17.823 19.832 17.578 1.0 32.06 ? 22 PHE AD CD1 1 22 . A ATOM 2163 C CD2 . PHE AD 1 22 ? -16.719 18.602 15.881 1.0 34.92 ? 22 PHE AD CD2 1 22 . A ATOM 2164 C CE1 . PHE AD 1 22 ? -16.684 20.523 17.879 1.0 33.28 ? 22 PHE AD CE1 1 22 . A ATOM 2165 C CE2 . PHE AD 1 22 ? -15.546 19.278 16.164 1.0 36.55 ? 22 PHE AD CE2 1 22 . A ATOM 2166 C CZ . PHE AD 1 22 ? -15.542 20.238 17.179 1.0 35.59 ? 22 PHE AD CZ 1 22 . A ATOM 2167 N N . LEU AD 1 23 ? -21.114 20.122 17.088 1.0 25.77 ? 23 LEU AD N 1 23 . A ATOM 2168 C CA . LEU AD 1 23 ? -21.453 21.279 17.894 1.0 25.1 ? 23 LEU AD CA 1 23 . A ATOM 2169 C C . LEU AD 1 23 ? -21.231 20.847 19.345 1.0 27.93 ? 23 LEU AD C 1 23 . A ATOM 2170 O O . LEU AD 1 23 ? -21.770 19.845 19.843 1.0 27.96 ? 23 LEU AD O 1 23 . A ATOM 2171 C CB . LEU AD 1 23 ? -22.842 21.741 17.607 1.0 21.46 ? 23 LEU AD CB 1 23 . A ATOM 2172 C CG . LEU AD 1 23 ? -23.311 22.860 18.501 1.0 20.09 ? 23 LEU AD CG 1 23 . A ATOM 2173 C CD1 . LEU AD 1 23 ? -22.698 24.180 18.131 1.0 18.92 ? 23 LEU AD CD1 1 23 . A ATOM 2174 C CD2 . LEU AD 1 23 ? -24.698 22.944 18.054 1.0 20.77 ? 23 LEU AD CD2 1 23 . A ATOM 2175 N N . LYS AD 1 24 ? -20.308 21.501 20.001 1.0 30.18 ? 24 LYS AD N 1 24 . A ATOM 2176 C CA . LYS AD 1 24 ? -20.071 21.021 21.335 1.0 34.09 ? 24 LYS AD CA 1 24 . A ATOM 2177 C C . LYS AD 1 24 ? -20.142 22.121 22.334 1.0 34.53 ? 24 LYS AD C 1 24 . A ATOM 2178 O O . LYS AD 1 24 ? -19.391 23.112 22.235 1.0 32.85 ? 24 LYS AD O 1 24 . A ATOM 2179 C CB . LYS AD 1 24 ? -18.711 20.379 21.446 1.0 34.92 ? 24 LYS AD CB 1 24 . A ATOM 2180 C CG . LYS AD 1 24 ? -18.217 20.306 22.888 1.0 36.52 ? 24 LYS AD CG 1 24 . A ATOM 2181 C CD . LYS AD 1 24 ? -16.871 19.530 22.923 1.0 37.71 ? 24 LYS AD CD 1 24 . A ATOM 2182 C CE . LYS AD 1 24 ? -15.715 20.446 22.465 1.0 38.8 ? 24 LYS AD CE 1 24 . A ATOM 2183 N NZ . LYS AD 1 24 ? -14.419 19.701 22.220 1.0 39.26 ? 24 LYS AD NZ 1 24 . A ATOM 2184 N N . ALA AD 1 25 ? -21.008 21.907 23.318 1.0 35.39 ? 25 ALA AD N 1 25 . A ATOM 2185 C CA . ALA AD 1 25 ? -21.185 22.902 24.385 1.0 36.81 ? 25 ALA AD CA 1 25 . A ATOM 2186 C C . ALA AD 1 25 ? -20.506 22.491 25.677 1.0 41.45 ? 25 ALA AD C 1 25 . A ATOM 2187 O O . ALA AD 1 25 ? -21.001 21.623 26.414 1.0 43.82 ? 25 ALA AD O 1 25 . A ATOM 2188 C CB . ALA AD 1 25 ? -22.618 23.130 24.617 1.0 33.9 ? 25 ALA AD CB 1 25 . A ATOM 2189 N N . GLN AD 1 26 ? -19.370 23.071 26.003 1.0 43.2 ? 26 GLN AD N 1 26 . A ATOM 2190 C CA . GLN AD 1 26 ? -18.876 22.603 27.272 1.0 48.14 ? 26 GLN AD CA 1 26 . A ATOM 2191 C C . GLN AD 1 26 ? -18.772 23.601 28.430 1.0 47.01 ? 26 GLN AD C 1 26 . A ATOM 2192 O O . GLN AD 1 26 ? -18.667 24.827 28.209 1.0 46.42 ? 26 GLN AD O 1 26 . A ATOM 2193 C CB . GLN AD 1 26 ? -17.627 21.813 27.097 1.0 52.9 ? 26 GLN AD CB 1 26 . A ATOM 2194 C CG . GLN AD 1 26 ? -16.442 22.618 27.442 1.0 56.87 ? 26 GLN AD CG 1 26 . A ATOM 2195 C CD . GLN AD 1 26 ? -15.244 21.869 27.009 1.0 61.2 ? 26 GLN AD CD 1 26 . A ATOM 2196 O OE1 . GLN AD 1 26 ? -14.192 21.932 27.658 1.0 63.35 ? 26 GLN AD OE1 1 26 . A ATOM 2197 N NE2 . GLN AD 1 26 ? -15.396 21.084 25.921 1.0 62.33 ? 26 GLN AD NE2 1 26 . A ATOM 2198 N N . CYS AD 1 27 ? -18.808 23.056 29.656 1.0 45.9 ? 27 CYS AD N 1 27 . A ATOM 2199 C CA . CYS AD 1 27 ? -18.754 23.865 30.909 1.0 43.28 ? 27 CYS AD CA 1 27 . A ATOM 2200 C C . CYS AD 1 27 ? -17.418 24.056 31.645 1.0 41.17 ? 27 CYS AD C 1 27 . A ATOM 2201 O O . CYS AD 1 27 ? -16.741 23.091 31.985 1.0 38.43 ? 27 CYS AD O 1 27 . A ATOM 2202 C CB . CYS AD 1 27 ? -19.696 23.291 31.940 1.0 40.81 ? 27 CYS AD CB 1 27 . A ATOM 2203 S SG . CYS AD 1 27 ? -21.437 23.518 31.565 1.0 39.95 ? 27 CYS AD SG 1 27 . A ATOM 2204 N N . ASP AD 1 28 ? -17.111 25.322 31.947 1.0 42.44 ? 28 ASP AD N 1 28 . A ATOM 2205 C CA . ASP AD 1 28 ? -15.942 25.722 32.729 1.0 41.65 ? 28 ASP AD CA 1 28 . A ATOM 2206 C C . ASP AD 1 28 ? -16.520 25.777 34.155 1.0 44.82 ? 28 ASP AD C 1 28 . A ATOM 2207 O O . ASP AD 1 28 ? -17.733 25.573 34.360 1.0 45.42 ? 28 ASP AD O 1 28 . A ATOM 2208 C CB . ASP AD 1 28 ? -15.513 27.142 32.330 1.0 38.36 ? 28 ASP AD CB 1 28 . A ATOM 2209 C CG . ASP AD 1 28 ? -16.702 28.039 32.045 1.0 38.54 ? 28 ASP AD CG 1 28 . A ATOM 2210 O OD1 . ASP AD 1 28 ? -17.822 27.498 31.989 1.0 37.66 ? 28 ASP AD OD1 1 28 . A ATOM 2211 O OD2 . ASP AD 1 28 ? -16.556 29.268 31.801 1.0 39.76 ? 28 ASP AD OD2 1 28 . A ATOM 2212 N N . LYS AD 1 29 ? -15.658 26.092 35.125 1.0 46.42 ? 29 LYS AD N 1 29 . A ATOM 2213 C CA . LYS AD 1 29 ? -16.011 26.258 36.542 1.0 46.53 ? 29 LYS AD CA 1 29 . A ATOM 2214 C C . LYS AD 1 29 ? -17.108 27.352 36.614 1.0 46.32 ? 29 LYS AD C 1 29 . A ATOM 2215 O O . LYS AD 1 29 ? -17.778 27.561 37.658 1.0 48.26 ? 29 LYS AD O 1 29 . A ATOM 2216 C CB . LYS AD 1 29 ? -14.738 26.653 37.344 1.0 46.49 ? 29 LYS AD CB 1 29 . A ATOM 2217 C CG . LYS AD 1 29 ? -14.932 27.501 38.635 1.0 47.19 ? 29 LYS AD CG 1 29 . A ATOM 2218 C CD . LYS AD 1 29 ? -13.630 27.885 39.429 1.0 46.22 ? 29 LYS AD CD 1 29 . A ATOM 2219 C CE . LYS AD 1 29 ? -12.478 26.969 39.078 1.0 46.42 ? 29 LYS AD CE 1 29 . A ATOM 2220 N NZ . LYS AD 1 29 ? -11.515 26.730 40.152 1.0 46.95 ? 29 LYS AD NZ 1 29 . A ATOM 2221 N N . PHE AD 1 30 ? -17.291 28.090 35.518 1.0 41.84 ? 30 PHE AD N 1 30 . A ATOM 2222 C CA . PHE AD 1 30 ? -18.289 29.131 35.558 1.0 38.74 ? 30 PHE AD CA 1 30 . A ATOM 2223 C C . PHE AD 1 30 ? -19.413 28.899 34.593 1.0 36.8 ? 30 PHE AD C 1 30 . A ATOM 2224 O O . PHE AD 1 30 ? -19.939 29.854 34.051 1.0 37.01 ? 30 PHE AD O 1 30 . A ATOM 2225 C CB . PHE AD 1 30 ? -17.640 30.444 35.235 1.0 39.67 ? 30 PHE AD CB 1 30 . A ATOM 2226 C CG . PHE AD 1 30 ? -16.611 30.857 36.222 1.0 41.36 ? 30 PHE AD CG 1 30 . A ATOM 2227 C CD1 . PHE AD 1 30 ? -15.828 29.962 36.890 1.0 41.47 ? 30 PHE AD CD1 1 30 . A ATOM 2228 C CD2 . PHE AD 1 30 ? -16.422 32.161 36.479 1.0 43.92 ? 30 PHE AD CD2 1 30 . A ATOM 2229 C CE1 . PHE AD 1 30 ? -14.908 30.345 37.779 1.0 42.07 ? 30 PHE AD CE1 1 30 . A ATOM 2230 C CE2 . PHE AD 1 30 ? -15.466 32.564 37.375 1.0 44.11 ? 30 PHE AD CE2 1 30 . A ATOM 2231 C CZ . PHE AD 1 30 ? -14.708 31.635 38.016 1.0 43.11 ? 30 PHE AD CZ 1 30 . A ATOM 2232 N N . CYS AD 1 31 ? -19.757 27.643 34.348 1.0 36.49 ? 31 CYS AD N 1 31 . A ATOM 2233 C CA . CYS AD 1 31 ? -20.821 27.374 33.396 1.0 38.66 ? 31 CYS AD CA 1 31 . A ATOM 2234 C C . CYS AD 1 31 ? -22.045 28.114 33.789 1.0 40.73 ? 31 CYS AD C 1 31 . A ATOM 2235 O O . CYS AD 1 31 ? -22.521 28.918 33.006 1.0 42.36 ? 31 CYS AD O 1 31 . A ATOM 2236 C CB . CYS AD 1 31 ? -21.141 25.904 33.298 1.0 39.72 ? 31 CYS AD CB 1 31 . A ATOM 2237 S SG . CYS AD 1 31 ? -21.818 25.500 31.687 1.0 40.74 ? 31 CYS AD SG 1 31 . A ATOM 2238 N N . SER AD 1 32 ? -22.483 27.929 35.037 1.0 42.26 ? 32 SER AD N 1 32 . A ATOM 2239 C CA . SER AD 1 32 ? -23.660 28.682 35.556 1.0 41.59 ? 32 SER AD CA 1 32 . A ATOM 2240 C C . SER AD 1 32 ? -23.781 30.220 35.377 1.0 36.06 ? 32 SER AD C 1 32 . A ATOM 2241 O O . SER AD 1 32 ? -24.873 30.729 35.353 1.0 37.61 ? 32 SER AD O 1 32 . A ATOM 2242 C CB . SER AD 1 32 ? -24.301 28.116 36.865 1.0 42.09 ? 32 SER AD CB 1 32 . A ATOM 2243 O OG . SER AD 1 32 ? -23.409 28.209 37.973 1.0 41.18 ? 32 SER AD OG 1 32 . A ATOM 2244 N N . ILE AD 1 33 ? -22.727 30.990 35.221 1.0 30.34 ? 33 ILE AD N 1 33 . A ATOM 2245 C CA . ILE AD 1 33 ? -23.020 32.415 35.034 1.0 31.26 ? 33 ILE AD CA 1 33 . A ATOM 2246 C C . ILE AD 1 33 ? -22.684 32.966 33.625 1.0 28.5 ? 33 ILE AD C 1 33 . A ATOM 2247 O O . ILE AD 1 33 ? -23.280 33.950 33.153 1.0 23.42 ? 33 ILE AD O 1 33 . A ATOM 2248 C CB . ILE AD 1 33 ? -22.218 33.295 36.044 1.0 32.57 ? 33 ILE AD CB 1 33 . A ATOM 2249 C CG1 . ILE AD 1 33 ? -22.280 32.776 37.487 1.0 29.33 ? 33 ILE AD CG1 1 33 . A ATOM 2250 C CG2 . ILE AD 1 33 ? -22.299 34.796 35.712 1.0 32.21 ? 33 ILE AD CG2 1 33 . A ATOM 2251 C CD1 . ILE AD 1 33 ? -21.072 31.986 37.745 1.0 27.98 ? 33 ILE AD CD1 1 33 . A ATOM 2252 N N . ARG AD 1 34 ? -21.638 32.354 33.062 1.0 28.95 ? 34 ARG AD N 1 34 . A ATOM 2253 C CA . ARG AD 1 34 ? -21.079 32.652 31.752 1.0 28.21 ? 34 ARG AD CA 1 34 . A ATOM 2254 C C . ARG AD 1 34 ? -21.938 31.874 30.792 1.0 28.16 ? 34 ARG AD C 1 34 . A ATOM 2255 O O . ARG AD 1 34 ? -22.681 32.468 30.021 1.0 31.43 ? 34 ARG AD O 1 34 . A ATOM 2256 C CB . ARG AD 1 34 ? -19.665 32.136 31.671 1.0 28.19 ? 34 ARG AD CB 1 34 . A ATOM 2257 C CG . ARG AD 1 34 ? -18.727 33.180 32.145 1.0 29.87 ? 34 ARG AD CG 1 34 . A ATOM 2258 C CD . ARG AD 1 34 ? -17.518 32.518 32.670 1.0 34.58 ? 34 ARG AD CD 1 34 . A ATOM 2259 N NE . ARG AD 1 34 ? -16.376 33.340 32.263 1.0 40.83 ? 34 ARG AD NE 1 34 . A ATOM 2260 C CZ . ARG AD 1 34 ? -15.467 32.981 31.343 1.0 43.87 ? 34 ARG AD CZ 1 34 . A ATOM 2261 N NH1 . ARG AD 1 34 ? -15.529 31.775 30.735 1.0 43.84 ? 34 ARG AD NH1 1 34 . A ATOM 2262 N NH2 . ARG AD 1 34 ? -14.480 33.835 31.060 1.0 45.15 ? 34 ARG AD NH2 1 34 . A ATOM 2263 N N . GLY AD 1 35 ? -21.904 30.566 30.925 1.0 23.98 ? 35 GLY AD N 1 35 . A ATOM 2264 C CA . GLY AD 1 35 ? -22.654 29.696 30.076 1.0 20.63 ? 35 GLY AD CA 1 35 . A ATOM 2265 C C . GLY AD 1 35 ? -21.588 28.806 29.596 1.0 20.97 ? 35 GLY AD C 1 35 . A ATOM 2266 O O . GLY AD 1 35 ? -20.401 28.998 29.857 1.0 21.69 ? 35 GLY AD O 1 35 . A ATOM 2267 N N . PRO AD 1 36 ? -22.019 27.816 28.877 1.0 23.25 ? 36 PRO AD N 1 36 . A ATOM 2268 C CA . PRO AD 1 36 ? -21.152 26.844 28.268 1.0 25.32 ? 36 PRO AD CA 1 36 . A ATOM 2269 C C . PRO AD 1 36 ? -20.378 27.510 27.165 1.0 27.91 ? 36 PRO AD C 1 36 . A ATOM 2270 O O . PRO AD 1 36 ? -20.731 28.578 26.654 1.0 26.51 ? 36 PRO AD O 1 36 . A ATOM 2271 C CB . PRO AD 1 36 ? -22.137 25.899 27.616 1.0 23.9 ? 36 PRO AD CB 1 36 . A ATOM 2272 C CG . PRO AD 1 36 ? -23.324 26.758 27.342 1.0 22.81 ? 36 PRO AD CG 1 36 . A ATOM 2273 C CD . PRO AD 1 36 ? -23.120 28.134 27.988 1.0 23.38 ? 36 PRO AD CD 1 36 . A ATOM 2274 N N . VAL AD 1 37 ? -19.270 26.855 26.875 1.0 33.14 ? 37 VAL AD N 1 37 . A ATOM 2275 C CA . VAL AD 1 37 ? -18.319 27.207 25.822 1.0 35.3 ? 37 VAL AD CA 1 37 . A ATOM 2276 C C . VAL AD 1 37 ? -18.587 26.300 24.599 1.0 35.46 ? 37 VAL AD C 1 37 . A ATOM 2277 O O . VAL AD 1 37 ? -18.369 25.060 24.622 1.0 34.13 ? 37 VAL AD O 1 37 . A ATOM 2278 C CB . VAL AD 1 37 ? -16.918 26.937 26.307 1.0 35.48 ? 37 VAL AD CB 1 37 . A ATOM 2279 C CG1 . VAL AD 1 37 ? -16.003 26.764 25.147 1.0 35.34 ? 37 VAL AD CG1 1 37 . A ATOM 2280 C CG2 . VAL AD 1 37 ? -16.516 28.081 27.101 1.0 36.78 ? 37 VAL AD CG2 1 37 . A ATOM 2281 N N . ILE AD 1 38 ? -19.101 26.960 23.562 1.0 36.47 ? 38 ILE AD N 1 38 . A ATOM 2282 C CA . ILE AD 1 38 ? -19.462 26.337 22.294 1.0 35.22 ? 38 ILE AD CA 1 38 . A ATOM 2283 C C . ILE AD 1 38 ? -18.302 26.254 21.317 1.0 32.58 ? 38 ILE AD C 1 38 . A ATOM 2284 O O . ILE AD 1 38 ? -17.388 27.064 21.303 1.0 32.75 ? 38 ILE AD O 1 38 . A ATOM 2285 C CB . ILE AD 1 38 ? -20.609 27.082 21.653 1.0 34.61 ? 38 ILE AD CB 1 38 . A ATOM 2286 C CG1 . ILE AD 1 38 ? -21.904 26.747 22.414 1.0 33.41 ? 38 ILE AD CG1 1 38 . A ATOM 2287 C CG2 . ILE AD 1 38 ? -20.630 26.813 20.184 1.0 34.08 ? 38 ILE AD CG2 1 38 . A ATOM 2288 C CD1 . ILE AD 1 38 ? -22.070 27.587 23.603 1.0 32.32 ? 38 ILE AD CD1 1 38 . A ATOM 2289 N N . GLU AD 1 39 ? -18.310 25.186 20.564 1.0 30.43 ? 39 GLU AD N 1 39 . A ATOM 2290 C CA . GLU AD 1 39 ? -17.302 24.942 19.583 1.0 28.97 ? 39 GLU AD CA 1 39 . A ATOM 2291 C C . GLU AD 1 39 ? -17.807 24.028 18.454 1.0 25.44 ? 39 GLU AD C 1 39 . A ATOM 2292 O O . GLU AD 1 39 ? -18.108 22.863 18.640 1.0 22.64 ? 39 GLU AD O 1 39 . A ATOM 2293 C CB . GLU AD 1 39 ? -16.102 24.364 20.254 1.0 33.85 ? 39 GLU AD CB 1 39 . A ATOM 2294 C CG . GLU AD 1 39 ? -15.429 23.356 19.381 1.0 39.21 ? 39 GLU AD CG 1 39 . A ATOM 2295 C CD . GLU AD 1 39 ? -14.060 22.995 19.951 1.0 45.37 ? 39 GLU AD CD 1 39 . A ATOM 2296 O OE1 . GLU AD 1 39 ? -13.943 22.799 21.194 1.0 47.9 ? 39 GLU AD OE1 1 39 . A ATOM 2297 O OE2 . GLU AD 1 39 ? -13.086 22.895 19.170 1.0 47.92 ? 39 GLU AD OE2 1 39 . A ATOM 2298 N N . GLN AD 1 40 ? -17.929 24.589 17.263 1.0 27.03 ? 40 GLN AD N 1 40 . A ATOM 2299 C CA . GLN AD 1 40 ? -18.375 23.792 16.129 1.0 28.99 ? 40 GLN AD CA 1 40 . A ATOM 2300 C C . GLN AD 1 40 ? -17.373 23.770 14.974 1.0 29.88 ? 40 GLN AD C 1 40 . A ATOM 2301 O O . GLN AD 1 40 ? -16.592 24.684 14.818 1.0 30.15 ? 40 GLN AD O 1 40 . A ATOM 2302 C CB . GLN AD 1 40 ? -19.698 24.302 15.643 1.0 28.99 ? 40 GLN AD CB 1 40 . A ATOM 2303 C CG . GLN AD 1 40 ? -20.347 25.208 16.587 1.0 29.1 ? 40 GLN AD CG 1 40 . A ATOM 2304 C CD . GLN AD 1 40 ? -20.872 26.417 15.875 1.0 31.73 ? 40 GLN AD CD 1 40 . A ATOM 2305 O OE1 . GLN AD 1 40 ? -22.083 26.305 15.293 1.0 27.55 ? 40 GLN AD OE1 1 40 . A ATOM 2306 N NE2 . GLN AD 1 40 ? -20.171 27.471 15.834 1.0 35.19 ? 40 GLN AD NE2 1 40 . A ATOM 2307 N N . GLY AD 1 41 ? -17.404 22.739 14.146 1.0 30.44 ? 41 GLY AD N 1 41 . A ATOM 2308 C CA . GLY AD 1 41 ? -16.491 22.670 13.005 1.0 30.12 ? 41 GLY AD CA 1 41 . A ATOM 2309 C C . GLY AD 1 41 ? -16.385 21.245 12.466 1.0 29.33 ? 41 GLY AD C 1 41 . A ATOM 2310 O O . GLY AD 1 41 ? -17.262 20.378 12.699 1.0 26.41 ? 41 GLY AD O 1 41 . A ATOM 2311 N N . CYS AD 1 42 ? -15.271 21.006 11.779 1.0 30.97 ? 42 CYS AD N 1 42 . A ATOM 2312 C CA . CYS AD 1 42 ? -15.036 19.728 11.160 1.0 33.37 ? 42 CYS AD CA 1 42 . A ATOM 2313 C C . CYS AD 1 42 ? -14.308 18.667 11.987 1.0 31.99 ? 42 CYS AD C 1 42 . A ATOM 2314 O O . CYS AD 1 42 ? -13.099 18.758 12.210 1.0 32.93 ? 42 CYS AD O 1 42 . A ATOM 2315 C CB . CYS AD 1 42 ? -14.279 19.955 9.829 1.0 39.19 ? 42 CYS AD CB 1 42 . A ATOM 2316 S SG . CYS AD 1 42 ? -15.059 20.929 8.466 1.0 43.48 ? 42 CYS AD SG 1 42 . A ATOM 2317 N N . VAL AD 1 43 ? -14.979 17.604 12.388 1.0 30.59 ? 43 VAL AD N 1 43 . A ATOM 2318 C CA . VAL AD 1 43 ? -14.216 16.584 13.067 1.0 32.51 ? 43 VAL AD CA 1 43 . A ATOM 2319 C C . VAL AD 1 43 ? -14.034 15.310 12.181 1.0 37.07 ? 43 VAL AD C 1 43 . A ATOM 2320 O O . VAL AD 1 43 ? -14.671 15.200 11.145 1.0 38.19 ? 43 VAL AD O 1 43 . A ATOM 2321 C CB . VAL AD 1 43 ? -14.682 16.372 14.534 1.0 30.71 ? 43 VAL AD CB 1 43 . A ATOM 2322 C CG1 . VAL AD 1 43 ? -16.104 15.937 14.602 1.0 27.96 ? 43 VAL AD CG1 1 43 . A ATOM 2323 C CG2 . VAL AD 1 43 ? -13.723 15.451 15.262 1.0 29.81 ? 43 VAL AD CG2 1 43 . A ATOM 2324 N N . ALA AD 1 44 ? -13.144 14.377 12.533 1.0 37.59 ? 44 ALA AD N 1 44 . A ATOM 2325 C CA . ALA AD 1 44 ? -12.926 13.161 11.744 1.0 37.43 ? 44 ALA AD CA 1 44 . A ATOM 2326 C C . ALA AD 1 44 ? -13.594 12.026 12.380 1.0 40.72 ? 44 ALA AD C 1 44 . A ATOM 2327 O O . ALA AD 1 44 ? -13.738 10.963 11.771 1.0 42.91 ? 44 ALA AD O 1 44 . A ATOM 2328 C CB . ALA AD 1 44 ? -11.535 12.804 11.756 1.0 37.15 ? 44 ALA AD CB 1 44 . A ATOM 2329 N N . THR AD 1 45 ? -13.872 12.232 13.666 1.0 42.19 ? 45 THR AD N 1 45 . A ATOM 2330 C CA . THR AD 1 45 ? -14.568 11.290 14.528 1.0 40.76 ? 45 THR AD CA 1 45 . A ATOM 2331 C C . THR AD 1 45 ? -15.507 12.117 15.356 1.0 40.64 ? 45 THR AD C 1 45 . A ATOM 2332 O O . THR AD 1 45 ? -15.444 13.328 15.242 1.0 42.02 ? 45 THR AD O 1 45 . A ATOM 2333 C CB . THR AD 1 45 ? -13.634 10.792 15.532 1.0 39.99 ? 45 THR AD CB 1 45 . A ATOM 2334 O OG1 . THR AD 1 45 ? -12.338 11.308 15.230 1.0 39.23 ? 45 THR AD OG1 1 45 . A ATOM 2335 C CG2 . THR AD 1 45 ? -13.679 9.306 15.513 1.0 40.58 ? 45 THR AD CG2 1 45 . A ATOM 2336 N N . CYS AD 1 46 ? -16.367 11.492 16.166 1.0 38.84 ? 46 CYS AD N 1 46 . A ATOM 2337 C CA . CYS AD 1 46 ? -17.232 12.246 17.062 1.0 39.0 ? 46 CYS AD CA 1 46 . A ATOM 2338 C C . CYS AD 1 46 ? -16.541 12.117 18.416 1.0 38.56 ? 46 CYS AD C 1 46 . A ATOM 2339 O O . CYS AD 1 46 ? -16.425 11.019 18.953 1.0 38.31 ? 46 CYS AD O 1 46 . A ATOM 2340 C CB . CYS AD 1 46 ? -18.639 11.670 17.213 1.0 40.19 ? 46 CYS AD CB 1 46 . A ATOM 2341 S SG . CYS AD 1 46 ? -19.797 12.632 18.275 1.0 39.6 ? 46 CYS AD SG 1 46 . A ATOM 2342 N N . PRO AD 1 47 ? -16.108 13.247 18.983 1.0 38.29 ? 47 PRO AD N 1 47 . A ATOM 2343 C CA . PRO AD 1 47 ? -15.484 13.212 20.279 1.0 36.44 ? 47 PRO AD CA 1 47 . A ATOM 2344 C C . PRO AD 1 47 ? -16.340 12.557 21.358 1.0 33.88 ? 47 PRO AD C 1 47 . A ATOM 2345 O O . PRO AD 1 47 ? -17.502 12.820 21.551 1.0 30.56 ? 47 PRO AD O 1 47 . A ATOM 2346 C CB . PRO AD 1 47 ? -15.233 14.687 20.580 1.0 36.62 ? 47 PRO AD CB 1 47 . A ATOM 2347 C CG . PRO AD 1 47 ? -15.888 15.495 19.479 1.0 34.78 ? 47 PRO AD CG 1 47 . A ATOM 2348 C CD . PRO AD 1 47 ? -16.726 14.571 18.733 1.0 37.47 ? 47 PRO AD CD 1 47 . A ATOM 2349 N N . GLN AD 1 48 ? -15.709 11.629 22.026 1.0 38.24 ? 48 GLN AD N 1 48 . A ATOM 2350 C CA . GLN AD 1 48 ? -16.293 10.904 23.117 1.0 42.47 ? 48 GLN AD CA 1 48 . A ATOM 2351 C C . GLN AD 1 48 ? -16.769 11.959 24.104 1.0 42.48 ? 48 GLN AD C 1 48 . A ATOM 2352 O O . GLN AD 1 48 ? -16.043 12.954 24.406 1.0 40.12 ? 48 GLN AD O 1 48 . A ATOM 2353 C CB . GLN AD 1 48 ? -15.180 10.080 23.775 1.0 48.02 ? 48 GLN AD CB 1 48 . A ATOM 2354 C CG . GLN AD 1 48 ? -14.743 8.771 23.052 1.0 51.08 ? 48 GLN AD CG 1 48 . A ATOM 2355 C CD . GLN AD 1 48 ? -15.897 8.134 22.297 1.0 53.59 ? 48 GLN AD CD 1 48 . A ATOM 2356 O OE1 . GLN AD 1 48 ? -16.808 7.525 22.911 1.0 53.35 ? 48 GLN AD OE1 1 48 . A ATOM 2357 N NE2 . GLN AD 1 48 ? -15.930 8.319 20.957 1.0 53.9 ? 48 GLN AD NE2 1 48 . A ATOM 2358 N N . PHE AD 1 49 ? -17.982 11.690 24.606 1.0 43.74 ? 49 PHE AD N 1 49 . A ATOM 2359 C CA . PHE AD 1 49 ? -18.762 12.537 25.530 1.0 44.79 ? 49 PHE AD CA 1 49 . A ATOM 2360 C C . PHE AD 1 49 ? -18.225 12.757 26.982 1.0 48.93 ? 49 PHE AD C 1 49 . A ATOM 2361 O O . PHE AD 1 49 ? -18.481 11.942 27.881 1.0 51.73 ? 49 PHE AD O 1 49 . A ATOM 2362 C CB . PHE AD 1 49 ? -20.232 12.054 25.481 1.0 41.3 ? 49 PHE AD CB 1 49 . A ATOM 2363 C CG . PHE AD 1 49 ? -21.240 13.041 25.983 1.0 39.12 ? 49 PHE AD CG 1 49 . A ATOM 2364 C CD1 . PHE AD 1 49 ? -21.584 14.123 25.257 1.0 39.9 ? 49 PHE AD CD1 1 49 . A ATOM 2365 C CD2 . PHE AD 1 49 ? -21.860 12.869 27.187 1.0 40.73 ? 49 PHE AD CD2 1 49 . A ATOM 2366 C CE1 . PHE AD 1 49 ? -22.559 15.006 25.716 1.0 41.01 ? 49 PHE AD CE1 1 49 . A ATOM 2367 C CE2 . PHE AD 1 49 ? -22.818 13.771 27.692 1.0 40.8 ? 49 PHE AD CE2 1 49 . A ATOM 2368 C CZ . PHE AD 1 49 ? -23.173 14.833 26.959 1.0 40.7 ? 49 PHE AD CZ 1 49 . A ATOM 2369 N N . ARG AD 1 50 ? -17.495 13.865 27.194 1.0 49.71 ? 50 ARG AD N 1 50 . A ATOM 2370 C CA . ARG AD 1 50 ? -16.891 14.242 28.486 1.0 49.27 ? 50 ARG AD CA 1 50 . A ATOM 2371 C C . ARG AD 1 50 ? -17.987 14.674 29.408 1.0 49.73 ? 50 ARG AD C 1 50 . A ATOM 2372 O O . ARG AD 1 50 ? -18.849 15.423 28.989 1.0 51.13 ? 50 ARG AD O 1 50 . A ATOM 2373 C CB . ARG AD 1 50 ? -15.881 15.386 28.333 1.0 48.2 ? 50 ARG AD CB 1 50 . A ATOM 2374 C CG . ARG AD 1 50 ? -14.472 14.834 28.458 1.0 49.79 ? 50 ARG AD CG 1 50 . A ATOM 2375 C CD . ARG AD 1 50 ? -13.418 15.520 27.558 1.0 52.42 ? 50 ARG AD CD 1 50 . A ATOM 2376 N NE . ARG AD 1 50 ? -13.615 16.976 27.381 1.0 54.14 ? 50 ARG AD NE 1 50 . A ATOM 2377 C CZ . ARG AD 1 50 ? -12.674 17.803 26.922 1.0 54.92 ? 50 ARG AD CZ 1 50 . A ATOM 2378 N NH1 . ARG AD 1 50 ? -11.463 17.342 26.583 1.0 53.78 ? 50 ARG AD NH1 1 50 . A ATOM 2379 N NH2 . ARG AD 1 50 ? -12.957 19.097 26.797 1.0 55.88 ? 50 ARG AD NH2 1 50 . A ATOM 2380 N N . SER AD 1 51 ? -17.948 14.206 30.648 1.0 49.64 ? 51 SER AD N 1 51 . A ATOM 2381 C CA . SER AD 1 51 ? -18.949 14.517 31.681 1.0 49.33 ? 51 SER AD CA 1 51 . A ATOM 2382 C C . SER AD 1 51 ? -19.282 16.016 31.866 1.0 45.18 ? 51 SER AD C 1 51 . A ATOM 2383 O O . SER AD 1 51 ? -20.414 16.378 32.235 1.0 44.71 ? 51 SER AD O 1 51 . A ATOM 2384 C CB . SER AD 1 51 ? -18.525 13.886 33.026 1.0 53.28 ? 51 SER AD CB 1 51 . A ATOM 2385 O OG . SER AD 1 51 ? -19.516 12.997 33.567 1.0 55.99 ? 51 SER AD OG 1 51 . A ATOM 2386 N N . ASN AD 1 52 ? -18.296 16.867 31.594 1.0 42.18 ? 52 ASN AD N 1 52 . A ATOM 2387 C CA . ASN AD 1 52 ? -18.440 18.309 31.627 1.0 41.02 ? 52 ASN AD CA 1 52 . A ATOM 2388 C C . ASN AD 1 52 ? -19.257 18.953 30.486 1.0 35.61 ? 52 ASN AD C 1 52 . A ATOM 2389 O O . ASN AD 1 52 ? -19.310 20.188 30.379 1.0 37.48 ? 52 ASN AD O 1 52 . A ATOM 2390 C CB . ASN AD 1 52 ? -17.035 18.919 31.586 1.0 47.61 ? 52 ASN AD CB 1 52 . A ATOM 2391 C CG . ASN AD 1 52 ? -16.262 18.648 30.261 1.0 53.41 ? 52 ASN AD CG 1 52 . A ATOM 2392 O OD1 . ASN AD 1 52 ? -16.805 18.060 29.306 1.0 56.53 ? 52 ASN AD OD1 1 52 . A ATOM 2393 N ND2 . ASN AD 1 52 ? -14.967 19.064 30.223 1.0 54.09 ? 52 ASN AD ND2 1 52 . A ATOM 2394 N N . TYR AD 1 53 ? -19.879 18.191 29.597 1.0 29.78 ? 53 TYR AD N 1 53 . A ATOM 2395 C CA . TYR AD 1 53 ? -20.579 18.903 28.550 1.0 28.46 ? 53 TYR AD CA 1 53 . A ATOM 2396 C C . TYR AD 1 53 ? -22.060 19.025 28.788 1.0 28.38 ? 53 TYR AD C 1 53 . A ATOM 2397 O O . TYR AD 1 53 ? -22.694 18.152 29.355 1.0 31.52 ? 53 TYR AD O 1 53 . A ATOM 2398 C CB . TYR AD 1 53 ? -20.402 18.330 27.137 1.0 27.58 ? 53 TYR AD CB 1 53 . A ATOM 2399 C CG . TYR AD 1 53 ? -19.050 17.982 26.517 1.0 27.0 ? 53 TYR AD CG 1 53 . A ATOM 2400 C CD1 . TYR AD 1 53 ? -17.985 18.894 26.404 1.0 25.58 ? 53 TYR AD CD1 1 53 . A ATOM 2401 C CD2 . TYR AD 1 53 ? -18.897 16.768 25.894 1.0 25.81 ? 53 TYR AD CD2 1 53 . A ATOM 2402 C CE1 . TYR AD 1 53 ? -16.787 18.496 25.837 1.0 22.81 ? 53 TYR AD CE1 1 53 . A ATOM 2403 C CE2 . TYR AD 1 53 ? -17.739 16.439 25.224 1.0 24.23 ? 53 TYR AD CE2 1 53 . A ATOM 2404 C CZ . TYR AD 1 53 ? -16.708 17.280 25.235 1.0 22.13 ? 53 TYR AD CZ 1 53 . A ATOM 2405 O OH . TYR AD 1 53 ? -15.601 16.867 24.549 1.0 21.54 ? 53 TYR AD OH 1 53 . A ATOM 2406 N N . ARG AD 1 54 ? -22.625 20.092 28.264 1.0 24.77 ? 54 ARG AD N 1 54 . A ATOM 2407 C CA . ARG AD 1 54 ? -23.994 20.332 28.381 1.0 22.37 ? 54 ARG AD CA 1 54 . A ATOM 2408 C C . ARG AD 1 54 ? -24.552 19.675 27.150 1.0 25.45 ? 54 ARG AD C 1 54 . A ATOM 2409 O O . ARG AD 1 54 ? -25.780 19.489 27.042 1.0 27.65 ? 54 ARG AD O 1 54 . A ATOM 2410 C CB . ARG AD 1 54 ? -24.132 21.790 28.320 1.0 25.52 ? 54 ARG AD CB 1 54 . A ATOM 2411 C CG . ARG AD 1 54 ? -25.509 22.295 28.136 1.0 32.99 ? 54 ARG AD CG 1 54 . A ATOM 2412 C CD . ARG AD 1 54 ? -26.381 22.458 29.447 1.0 39.41 ? 54 ARG AD CD 1 54 . A ATOM 2413 N NE . ARG AD 1 54 ? -25.735 23.204 30.551 1.0 43.93 ? 54 ARG AD NE 1 54 . A ATOM 2414 C CZ . ARG AD 1 54 ? -25.787 24.528 30.737 1.0 45.32 ? 54 ARG AD CZ 1 54 . A ATOM 2415 N NH1 . ARG AD 1 54 ? -26.423 25.322 29.868 1.0 43.69 ? 54 ARG AD NH1 1 54 . A ATOM 2416 N NH2 . ARG AD 1 54 ? -25.161 25.050 31.798 1.0 46.65 ? 54 ARG AD NH2 1 54 . A ATOM 2417 N N . SER AD 1 55 ? -23.673 19.271 26.218 1.0 24.35 ? 55 SER AD N 1 55 . A ATOM 2418 C CA . SER AD 1 55 ? -24.111 18.578 24.981 1.0 22.71 ? 55 SER AD CA 1 55 . A ATOM 2419 C C . SER AD 1 55 ? -23.194 18.565 23.835 1.0 20.43 ? 55 SER AD C 1 55 . A ATOM 2420 O O . SER AD 1 55 ? -22.485 19.519 23.610 1.0 18.38 ? 55 SER AD O 1 55 . A ATOM 2421 C CB . SER AD 1 55 ? -25.383 19.113 24.354 1.0 21.37 ? 55 SER AD CB 1 55 . A ATOM 2422 O OG . SER AD 1 55 ? -25.052 20.369 23.902 1.0 19.0 ? 55 SER AD OG 1 55 . A ATOM 2423 N N . LEU AD 1 56 ? -23.331 17.445 23.107 1.0 22.76 ? 56 LEU AD N 1 56 . A ATOM 2424 C CA . LEU AD 1 56 ? -22.620 17.049 21.881 1.0 23.12 ? 56 LEU AD CA 1 56 . A ATOM 2425 C C . LEU AD 1 56 ? -23.733 16.789 20.852 1.0 27.1 ? 56 LEU AD C 1 56 . A ATOM 2426 O O . LEU AD 1 56 ? -24.859 16.443 21.205 1.0 27.93 ? 56 LEU AD O 1 56 . A ATOM 2427 C CB . LEU AD 1 56 ? -21.838 15.779 22.081 1.0 18.26 ? 56 LEU AD CB 1 56 . A ATOM 2428 C CG . LEU AD 1 56 ? -20.389 15.938 21.708 1.0 17.06 ? 56 LEU AD CG 1 56 . A ATOM 2429 C CD1 . LEU AD 1 56 ? -19.861 14.575 21.469 1.0 17.48 ? 56 LEU AD CD1 1 56 . A ATOM 2430 C CD2 . LEU AD 1 56 ? -20.158 16.791 20.499 1.0 16.57 ? 56 LEU AD CD2 1 56 . A ATOM 2431 N N . LEU AD 1 57 ? -23.399 17.083 19.599 1.0 28.81 ? 57 LEU AD N 1 57 . A ATOM 2432 C CA . LEU AD 1 57 ? -24.239 16.998 18.407 1.0 27.68 ? 57 LEU AD CA 1 57 . A ATOM 2433 C C . LEU AD 1 57 ? -23.225 16.618 17.359 1.0 30.99 ? 57 LEU AD C 1 57 . A ATOM 2434 O O . LEU AD 1 57 ? -22.280 17.412 17.122 1.0 31.34 ? 57 LEU AD O 1 57 . A ATOM 2435 C CB . LEU AD 1 57 ? -24.657 18.382 17.972 1.0 25.62 ? 57 LEU AD CB 1 57 . A ATOM 2436 C CG . LEU AD 1 57 ? -25.524 18.288 16.721 1.0 27.16 ? 57 LEU AD CG 1 57 . A ATOM 2437 C CD1 . LEU AD 1 57 ? -26.469 17.091 16.842 1.0 30.76 ? 57 LEU AD CD1 1 57 . A ATOM 2438 C CD2 . LEU AD 1 57 ? -26.198 19.527 16.104 1.0 24.93 ? 57 LEU AD CD2 1 57 . A ATOM 2439 N N . CYS AD 1 58 ? -23.400 15.443 16.754 1.0 32.11 ? 58 CYS AD N 1 58 . A ATOM 2440 C CA . CYS AD 1 58 ? -22.495 14.973 15.707 1.0 34.99 ? 58 CYS AD CA 1 58 . A ATOM 2441 C C . CYS AD 1 58 ? -23.388 14.543 14.561 1.0 34.48 ? 58 CYS AD C 1 58 . A ATOM 2442 O O . CYS AD 1 58 ? -24.223 13.640 14.737 1.0 33.44 ? 58 CYS AD O 1 58 . A ATOM 2443 C CB . CYS AD 1 58 ? -21.700 13.781 16.195 1.0 38.44 ? 58 CYS AD CB 1 58 . A ATOM 2444 S SG . CYS AD 1 58 ? -20.185 14.234 17.094 1.0 42.05 ? 58 CYS AD SG 1 58 . A ATOM 2445 N N . CYS AD 1 59 ? -23.237 15.217 13.416 1.0 34.51 ? 59 CYS AD N 1 59 . A ATOM 2446 C CA . CYS AD 1 59 ? -24.054 14.972 12.217 1.0 35.51 ? 59 CYS AD CA 1 59 . A ATOM 2447 C C . CYS AD 1 59 ? -23.289 15.019 10.861 1.0 37.66 ? 59 CYS AD C 1 59 . A ATOM 2448 O O . CYS AD 1 59 ? -22.497 15.964 10.624 1.0 39.07 ? 59 CYS AD O 1 59 . A ATOM 2449 C CB . CYS AD 1 59 ? -25.166 15.977 12.181 1.0 32.47 ? 59 CYS AD CB 1 59 . A ATOM 2450 S SG . CYS AD 1 59 ? -24.428 17.629 12.221 1.0 33.95 ? 59 CYS AD SG 1 59 . A ATOM 2451 N N . THR AD 1 60 ? -23.532 14.004 9.997 1.0 34.55 ? 60 THR AD N 1 60 . A ATOM 2452 C CA . THR AD 1 60 ? -22.918 13.831 8.663 1.0 28.91 ? 60 THR AD CA 1 60 . A ATOM 2453 C C . THR AD 1 60 ? -23.890 14.458 7.671 1.0 24.34 ? 60 THR AD C 1 60 . A ATOM 2454 O O . THR AD 1 60 ? -24.775 13.804 7.244 1.0 25.09 ? 60 THR AD O 1 60 . A ATOM 2455 C CB . THR AD 1 60 ? -22.992 12.384 8.333 1.0 30.52 ? 60 THR AD CB 1 60 . A ATOM 2456 O OG1 . THR AD 1 60 ? -24.330 11.999 8.539 1.0 32.11 ? 60 THR AD OG1 1 60 . A ATOM 2457 C CG2 . THR AD 1 60 ? -22.181 11.503 9.296 1.0 31.83 ? 60 THR AD CG2 1 60 . A ATOM 2458 N N . THR AD 1 61 ? -23.753 15.744 7.363 1.0 21.33 ? 61 THR AD N 1 61 . A ATOM 2459 C CA . THR AD 1 61 ? -24.647 16.469 6.500 1.0 24.51 ? 61 THR AD CA 1 61 . A ATOM 2460 C C . THR AD 1 61 ? -24.062 17.864 6.404 1.0 30.9 ? 61 THR AD C 1 61 . A ATOM 2461 O O . THR AD 1 61 ? -23.405 18.287 7.314 1.0 32.25 ? 61 THR AD O 1 61 . A ATOM 2462 C CB . THR AD 1 61 ? -26.005 16.588 7.087 1.0 24.78 ? 61 THR AD CB 1 61 . A ATOM 2463 O OG1 . THR AD 1 61 ? -26.726 15.375 6.845 1.0 23.89 ? 61 THR AD OG1 1 61 . A ATOM 2464 C CG2 . THR AD 1 61 ? -26.770 17.817 6.444 1.0 23.47 ? 61 THR AD CG2 1 61 . A ATOM 2465 N N . ASP AD 1 62 ? -24.137 18.588 5.300 1.0 36.04 ? 62 ASP AD N 1 62 . A ATOM 2466 C CA . ASP AD 1 62 ? -23.345 19.821 5.406 1.0 38.53 ? 62 ASP AD CA 1 62 . A ATOM 2467 C C . ASP AD 1 62 ? -23.924 20.827 6.326 1.0 39.11 ? 62 ASP AD C 1 62 . A ATOM 2468 O O . ASP AD 1 62 ? -25.127 20.997 6.321 1.0 39.74 ? 62 ASP AD O 1 62 . A ATOM 2469 C CB . ASP AD 1 62 ? -22.794 20.442 4.091 1.0 38.06 ? 62 ASP AD CB 1 62 . A ATOM 2470 C CG . ASP AD 1 62 ? -22.282 19.410 3.116 1.0 38.1 ? 62 ASP AD CG 1 62 . A ATOM 2471 O OD1 . ASP AD 1 62 ? -21.589 18.462 3.521 1.0 37.54 ? 62 ASP AD OD1 1 62 . A ATOM 2472 O OD2 . ASP AD 1 62 ? -22.637 19.527 1.929 1.0 39.69 ? 62 ASP AD OD2 1 62 . A ATOM 2473 N N . ASN AD 1 63 ? -23.071 21.479 7.104 1.0 39.62 ? 63 ASN AD N 1 63 . A ATOM 2474 C CA . ASN AD 1 63 ? -23.562 22.506 7.983 1.0 41.11 ? 63 ASN AD CA 1 63 . A ATOM 2475 C C . ASN AD 1 63 ? -24.712 21.959 8.867 1.0 39.42 ? 63 ASN AD C 1 63 . A ATOM 2476 O O . ASN AD 1 63 ? -25.652 22.685 9.257 1.0 37.16 ? 63 ASN AD O 1 63 . A ATOM 2477 C CB . ASN AD 1 63 ? -24.090 23.632 7.116 1.0 45.56 ? 63 ASN AD CB 1 63 . A ATOM 2478 C CG . ASN AD 1 63 ? -22.993 24.333 6.368 1.0 51.66 ? 63 ASN AD CG 1 63 . A ATOM 2479 O OD1 . ASN AD 1 63 ? -23.071 25.555 6.122 1.0 54.75 ? 63 ASN AD OD1 1 63 . A ATOM 2480 N ND2 . ASN AD 1 63 ? -21.926 23.588 6.009 1.0 53.52 ? 63 ASN AD ND2 1 63 . A ATOM 2481 N N . CYS AD 1 64 ? -24.673 20.659 9.154 1.0 36.89 ? 64 CYS AD N 1 64 . A ATOM 2482 C CA . CYS AD 1 64 ? -25.743 20.165 9.934 1.0 32.6 ? 64 CYS AD CA 1 64 . A ATOM 2483 C C . CYS AD 1 64 ? -25.536 20.590 11.383 1.0 32.93 ? 64 CYS AD C 1 64 . A ATOM 2484 O O . CYS AD 1 64 ? -26.518 20.767 12.094 1.0 33.23 ? 64 CYS AD O 1 64 . A ATOM 2485 C CB . CYS AD 1 64 ? -25.833 18.695 9.751 1.0 28.49 ? 64 CYS AD CB 1 64 . A ATOM 2486 S SG . CYS AD 1 64 ? -24.277 18.069 10.239 1.0 29.69 ? 64 CYS AD SG 1 64 . A ATOM 2487 N N . ASN AD 1 65 ? -24.289 20.843 11.776 1.0 32.28 ? 65 ASN AD N 1 65 . A ATOM 2488 C CA . ASN AD 1 65 ? -23.987 21.246 13.155 1.0 33.07 ? 65 ASN AD CA 1 65 . A ATOM 2489 C C . ASN AD 1 65 ? -24.448 22.653 13.533 1.0 38.54 ? 65 ASN AD C 1 65 . A ATOM 2490 O O . ASN AD 1 65 ? -23.665 23.582 13.721 1.0 37.87 ? 65 ASN AD O 1 65 . A ATOM 2491 C CB . ASN AD 1 65 ? -22.513 21.126 13.444 1.0 27.29 ? 65 ASN AD CB 1 65 . A ATOM 2492 C CG . ASN AD 1 65 ? -21.778 21.988 12.569 1.0 23.59 ? 65 ASN AD CG 1 65 . A ATOM 2493 O OD1 . ASN AD 1 65 ? -22.332 22.339 11.543 1.0 22.84 ? 65 ASN AD OD1 1 65 . A ATOM 2494 N ND2 . ASN AD 1 65 ? -20.639 22.464 12.975 1.0 22.29 ? 65 ASN AD ND2 1 65 . A ATOM 2495 N N . HIS AD 1 66 ? -25.756 22.794 13.677 1.0 44.9 ? 66 HIS AD N 1 66 . A ATOM 2496 C CA . HIS AD 1 66 ? -26.354 24.056 14.075 1.0 49.51 ? 66 HIS AD CA 1 66 . A ATOM 2497 C C . HIS AD 1 66 ? -27.520 23.722 14.950 1.0 49.34 ? 66 HIS AD C 1 66 . A ATOM 2498 O O . HIS AD 1 66 ? -28.007 22.575 14.726 1.0 47.93 ? 66 HIS AD O 1 66 . A ATOM 2499 C CB . HIS AD 1 66 ? -26.875 24.910 12.864 1.0 54.59 ? 66 HIS AD CB 1 66 . A ATOM 2500 C CG . HIS AD 1 66 ? -28.178 24.439 12.269 1.0 57.7 ? 66 HIS AD CG 1 66 . A ATOM 2501 N ND1 . HIS AD 1 66 ? -28.237 23.417 11.342 1.0 59.64 ? 66 HIS AD ND1 1 66 . A ATOM 2502 C CD2 . HIS AD 1 66 ? -29.448 24.894 12.414 1.0 57.66 ? 66 HIS AD CD2 1 66 . A ATOM 2503 C CE1 . HIS AD 1 66 ? -29.498 23.219 10.986 1.0 59.91 ? 66 HIS AD CE1 1 66 . A ATOM 2504 N NE2 . HIS AD 1 66 ? -30.255 24.092 11.631 1.0 58.88 ? 66 HIS AD NE2 1 66 . A ATOM 2505 O OXT . HIS AD 1 66 ? -27.846 24.665 15.718 1.0 50.95 ? 66 HIS AD OXT 1 66 . A ATOM 2506 N N . ARG AE 1 1 ? -23.499 -5.857 3.805 1.0 33.26 ? 1 ARG AE N 1 1 . A ATOM 2507 C CA . ARG AE 1 1 ? -24.762 -6.543 3.549 1.0 35.16 ? 1 ARG AE CA 1 1 . A ATOM 2508 C C . ARG AE 1 1 ? -25.952 -5.691 3.939 1.0 35.05 ? 1 ARG AE C 1 1 . A ATOM 2509 O O . ARG AE 1 1 ? -25.859 -4.478 3.961 1.0 38.18 ? 1 ARG AE O 1 1 . A ATOM 2510 C CB . ARG AE 1 1 ? -24.763 -7.837 4.386 1.0 38.85 ? 1 ARG AE CB 1 1 . A ATOM 2511 C CG . ARG AE 1 1 ? -23.812 -7.884 5.583 1.0 40.56 ? 1 ARG AE CG 1 1 . A ATOM 2512 C CD . ARG AE 1 1 ? -24.056 -9.175 6.320 1.0 42.72 ? 1 ARG AE CD 1 1 . A ATOM 2513 N NE . ARG AE 1 1 ? -23.279 -10.314 5.814 1.0 46.89 ? 1 ARG AE NE 1 1 . A ATOM 2514 C CZ . ARG AE 1 1 ? -23.627 -11.057 4.753 1.0 49.39 ? 1 ARG AE CZ 1 1 . A ATOM 2515 N NH1 . ARG AE 1 1 ? -24.747 -10.751 4.065 1.0 49.8 ? 1 ARG AE NH1 1 1 . A ATOM 2516 N NH2 . ARG AE 1 1 ? -22.865 -12.114 4.398 1.0 49.33 ? 1 ARG AE NH2 1 1 . A ATOM 2517 N N . THR AE 1 2 ? -27.077 -6.292 4.287 1.0 34.88 ? 2 THR AE N 1 2 . A ATOM 2518 C CA . THR AE 1 2 ? -28.186 -5.496 4.838 1.0 35.42 ? 2 THR AE CA 1 2 . A ATOM 2519 C C . THR AE 1 2 ? -28.488 -6.149 6.166 1.0 31.19 ? 2 THR AE C 1 2 . A ATOM 2520 O O . THR AE 1 2 ? -28.305 -7.347 6.339 1.0 29.4 ? 2 THR AE O 1 2 . A ATOM 2521 C CB . THR AE 1 2 ? -29.490 -5.539 4.064 1.0 39.11 ? 2 THR AE CB 1 2 . A ATOM 2522 O OG1 . THR AE 1 2 ? -29.470 -6.656 3.182 1.0 43.5 ? 2 THR AE OG1 1 2 . A ATOM 2523 C CG2 . THR AE 1 2 ? -29.668 -4.292 3.280 1.0 39.88 ? 2 THR AE CG2 1 2 . A ATOM 2524 N N . CYS AE 1 3 ? -28.958 -5.347 7.106 1.0 31.28 ? 3 CYS AE N 1 3 . A ATOM 2525 C CA . CYS AE 1 3 ? -29.296 -5.824 8.454 1.0 27.97 ? 3 CYS AE CA 1 3 . A ATOM 2526 C C . CYS AE 1 3 ? -30.513 -5.086 8.941 1.0 26.3 ? 3 CYS AE C 1 3 . A ATOM 2527 O O . CYS AE 1 3 ? -30.875 -3.994 8.418 1.0 22.94 ? 3 CYS AE O 1 3 . A ATOM 2528 C CB . CYS AE 1 3 ? -28.196 -5.391 9.337 1.0 27.05 ? 3 CYS AE CB 1 3 . A ATOM 2529 S SG . CYS AE 1 3 ? -26.621 -6.171 8.937 1.0 27.84 ? 3 CYS AE SG 1 3 . A ATOM 2530 N N . LEU AE 1 4 ? -31.168 -5.651 9.958 1.0 26.9 ? 4 LEU AE N 1 4 . A ATOM 2531 C CA . LEU AE 1 4 ? -32.307 -4.903 10.524 1.0 25.03 ? 4 LEU AE CA 1 4 . A ATOM 2532 C C . LEU AE 1 4 ? -31.830 -3.716 11.432 1.0 24.06 ? 4 LEU AE C 1 4 . A ATOM 2533 O O . LEU AE 1 4 ? -30.705 -3.720 11.929 1.0 21.5 ? 4 LEU AE O 1 4 . A ATOM 2534 C CB . LEU AE 1 4 ? -33.268 -5.863 11.181 1.0 25.9 ? 4 LEU AE CB 1 4 . A ATOM 2535 C CG . LEU AE 1 4 ? -34.379 -6.297 10.205 1.0 31.57 ? 4 LEU AE CG 1 4 . A ATOM 2536 C CD1 . LEU AE 1 4 ? -35.406 -5.202 9.716 1.0 31.19 ? 4 LEU AE CD1 1 4 . A ATOM 2537 C CD2 . LEU AE 1 4 ? -33.828 -6.977 8.940 1.0 33.19 ? 4 LEU AE CD2 1 4 . A ATOM 2538 N N . ILE AE 1 5 ? -32.644 -2.678 11.610 1.0 28.6 ? 5 ILE AE N 1 5 . A ATOM 2539 C CA . ILE AE 1 5 ? -32.310 -1.569 12.546 1.0 33.21 ? 5 ILE AE CA 1 5 . A ATOM 2540 C C . ILE AE 1 5 ? -33.284 -1.343 13.720 1.0 36.36 ? 5 ILE AE C 1 5 . A ATOM 2541 O O . ILE AE 1 5 ? -34.489 -1.259 13.547 1.0 35.93 ? 5 ILE AE O 1 5 . A ATOM 2542 C CB . ILE AE 1 5 ? -31.962 -0.187 11.979 1.0 31.13 ? 5 ILE AE CB 1 5 . A ATOM 2543 C CG1 . ILE AE 1 5 ? -33.115 0.455 11.240 1.0 33.46 ? 5 ILE AE CG1 1 5 . A ATOM 2544 C CG2 . ILE AE 1 5 ? -30.609 -0.175 11.468 1.0 30.07 ? 5 ILE AE CG2 1 5 . A ATOM 2545 C CD1 . ILE AE 1 5 ? -33.150 1.957 11.398 1.0 35.94 ? 5 ILE AE CD1 1 5 . A ATOM 2546 N N . SER AE 1 6 ? -32.694 -1.191 14.901 1.0 39.16 ? 6 SER AE N 1 6 . A ATOM 2547 C CA . SER AE 1 6 ? -33.405 -1.021 16.168 1.0 38.77 ? 6 SER AE CA 1 6 . A ATOM 2548 C C . SER AE 1 6 ? -34.886 -0.842 16.233 1.0 40.15 ? 6 SER AE C 1 6 . A ATOM 2549 O O . SER AE 1 6 ? -35.622 -1.804 16.014 1.0 42.86 ? 6 SER AE O 1 6 . A ATOM 2550 C CB . SER AE 1 6 ? -32.681 -0.226 17.298 1.0 36.98 ? 6 SER AE CB 1 6 . A ATOM 2551 O OG . SER AE 1 6 ? -31.262 -0.230 17.252 1.0 35.88 ? 6 SER AE OG 1 6 . A ATOM 2552 N N . PRO AE 1 7 ? -35.267 0.397 16.557 1.0 39.41 ? 7 PRO AE N 1 7 . A ATOM 2553 C CA . PRO AE 1 7 ? -36.594 0.810 16.923 1.0 36.66 ? 7 PRO AE CA 1 7 . A ATOM 2554 C C . PRO AE 1 7 ? -37.535 0.135 16.072 1.0 37.33 ? 7 PRO AE C 1 7 . A ATOM 2555 O O . PRO AE 1 7 ? -38.200 -0.778 16.553 1.0 40.9 ? 7 PRO AE O 1 7 . A ATOM 2556 C CB . PRO AE 1 7 ? -36.603 2.293 16.695 1.0 35.46 ? 7 PRO AE CB 1 7 . A ATOM 2557 C CG . PRO AE 1 7 ? -35.135 2.671 16.479 1.0 37.38 ? 7 PRO AE CG 1 7 . A ATOM 2558 C CD . PRO AE 1 7 ? -34.609 1.456 15.775 1.0 38.92 ? 7 PRO AE CD 1 7 . A ATOM 2559 N N . SER AE 1 8 ? -37.476 0.450 14.795 1.0 35.58 ? 8 SER AE N 1 8 . A ATOM 2560 C CA . SER AE 1 8 ? -38.421 -0.078 13.804 1.0 33.57 ? 8 SER AE CA 1 8 . A ATOM 2561 C C . SER AE 1 8 ? -38.095 -1.380 13.230 1.0 29.88 ? 8 SER AE C 1 8 . A ATOM 2562 O O . SER AE 1 8 ? -38.876 -1.894 12.475 1.0 25.94 ? 8 SER AE O 1 8 . A ATOM 2563 C CB . SER AE 1 8 ? -38.338 0.808 12.596 1.0 34.49 ? 8 SER AE CB 1 8 . A ATOM 2564 O OG . SER AE 1 8 ? -36.981 0.740 12.197 1.0 36.91 ? 8 SER AE OG 1 8 . A ATOM 2565 N N . SER AE 1 9 ? -36.886 -1.838 13.472 1.0 34.32 ? 9 SER AE N 1 9 . A ATOM 2566 C CA . SER AE 1 9 ? -36.446 -3.100 12.878 1.0 37.33 ? 9 SER AE CA 1 9 . A ATOM 2567 C C . SER AE 1 9 ? -36.717 -3.134 11.367 1.0 37.82 ? 9 SER AE C 1 9 . A ATOM 2568 O O . SER AE 1 9 ? -37.576 -3.915 10.963 1.0 37.26 ? 9 SER AE O 1 9 . A ATOM 2569 C CB . SER AE 1 9 ? -37.204 -4.260 13.545 1.0 37.33 ? 9 SER AE CB 1 9 . A ATOM 2570 O OG . SER AE 1 9 ? -36.496 -4.685 14.686 1.0 36.81 ? 9 SER AE OG 1 9 . A ATOM 2571 N N . THR AE 1 10 ? -36.081 -2.274 10.548 1.0 37.71 ? 10 THR AE N 1 10 . A ATOM 2572 C CA . THR AE 1 10 ? -36.316 -2.293 9.075 1.0 34.08 ? 10 THR AE CA 1 10 . A ATOM 2573 C C . THR AE 1 10 ? -34.981 -2.511 8.405 1.0 33.96 ? 10 THR AE C 1 10 . A ATOM 2574 O O . THR AE 1 10 ? -33.969 -2.666 9.069 1.0 36.46 ? 10 THR AE O 1 10 . A ATOM 2575 C CB . THR AE 1 10 ? -36.762 -0.975 8.537 1.0 30.11 ? 10 THR AE CB 1 10 . A ATOM 2576 O OG1 . THR AE 1 10 ? -35.608 -0.149 8.548 1.0 35.16 ? 10 THR AE OG1 1 10 . A ATOM 2577 C CG2 . THR AE 1 10 ? -37.724 -0.337 9.368 1.0 25.16 ? 10 THR AE CG2 1 10 . A ATOM 2578 N N . PRO AE 1 11 ? -34.916 -2.499 7.085 1.0 32.01 ? 11 PRO AE N 1 11 . A ATOM 2579 C CA . PRO AE 1 11 ? -33.612 -2.759 6.518 1.0 30.04 ? 11 PRO AE CA 1 11 . A ATOM 2580 C C . PRO AE 1 11 ? -32.740 -1.530 6.206 1.0 28.77 ? 11 PRO AE C 1 11 . A ATOM 2581 O O . PRO AE 1 11 ? -33.222 -0.427 5.853 1.0 27.14 ? 11 PRO AE O 1 11 . A ATOM 2582 C CB . PRO AE 1 11 ? -33.930 -3.585 5.273 1.0 30.75 ? 11 PRO AE CB 1 11 . A ATOM 2583 C CG . PRO AE 1 11 ? -35.235 -4.124 5.491 1.0 31.57 ? 11 PRO AE CG 1 11 . A ATOM 2584 C CD . PRO AE 1 11 ? -35.983 -3.047 6.248 1.0 31.51 ? 11 PRO AE CD 1 11 . A ATOM 2585 N N . GLN AE 1 12 ? -31.434 -1.721 6.353 1.0 27.47 ? 12 GLN AE N 1 12 . A ATOM 2586 C CA . GLN AE 1 12 ? -30.529 -0.646 6.042 1.0 28.63 ? 12 GLN AE CA 1 12 . A ATOM 2587 C C . GLN AE 1 12 ? -29.341 -1.400 5.580 1.0 32.0 ? 12 GLN AE C 1 12 . A ATOM 2588 O O . GLN AE 1 12 ? -29.144 -2.557 6.001 1.0 33.33 ? 12 GLN AE O 1 12 . A ATOM 2589 C CB . GLN AE 1 12 ? -30.127 0.208 7.238 1.0 29.35 ? 12 GLN AE CB 1 12 . A ATOM 2590 C CG . GLN AE 1 12 ? -28.767 -0.198 7.818 1.0 29.39 ? 12 GLN AE CG 1 12 . A ATOM 2591 C CD . GLN AE 1 12 ? -28.102 0.858 8.678 1.0 30.23 ? 12 GLN AE CD 1 12 . A ATOM 2592 O OE1 . GLN AE 1 12 ? -27.016 0.587 9.187 1.0 33.72 ? 12 GLN AE OE1 1 12 . A ATOM 2593 N NE2 . GLN AE 1 12 ? -28.698 2.051 8.807 1.0 26.9 ? 12 GLN AE NE2 1 12 . A ATOM 2594 N N . THR AE 1 13 ? -28.605 -0.731 4.692 1.0 33.8 ? 13 THR AE N 1 13 . A ATOM 2595 C CA . THR AE 1 13 ? -27.456 -1.238 3.974 1.0 33.97 ? 13 THR AE CA 1 13 . A ATOM 2596 C C . THR AE 1 13 ? -26.141 -0.827 4.612 1.0 35.11 ? 13 THR AE C 1 13 . A ATOM 2597 O O . THR AE 1 13 ? -25.811 0.381 4.675 1.0 34.32 ? 13 THR AE O 1 13 . A ATOM 2598 C CB . THR AE 1 13 ? -27.518 -0.577 2.592 1.0 34.35 ? 13 THR AE CB 1 13 . A ATOM 2599 O OG1 . THR AE 1 13 ? -28.859 -0.638 2.115 1.0 33.3 ? 13 THR AE OG1 1 13 . A ATOM 2600 C CG2 . THR AE 1 13 ? -26.566 -1.267 1.611 1.0 33.31 ? 13 THR AE CG2 1 13 . A ATOM 2601 N N . CYS AE 1 14 ? -25.397 -1.827 5.071 1.0 37.22 ? 14 CYS AE N 1 14 . A ATOM 2602 C CA . CYS AE 1 14 ? -24.127 -1.584 5.730 1.0 42.45 ? 14 CYS AE CA 1 14 . A ATOM 2603 C C . CYS AE 1 14 ? -23.108 -0.879 4.838 1.0 47.61 ? 14 CYS AE C 1 14 . A ATOM 2604 O O . CYS AE 1 14 ? -23.267 -0.791 3.620 1.0 49.29 ? 14 CYS AE O 1 14 . A ATOM 2605 C CB . CYS AE 1 14 ? -23.541 -2.910 6.223 1.0 43.25 ? 14 CYS AE CB 1 14 . A ATOM 2606 S SG . CYS AE 1 14 ? -24.690 -3.887 7.241 1.0 46.92 ? 14 CYS AE SG 1 14 . A ATOM 2607 N N . PRO AE 1 15 ? -22.043 -0.386 5.434 1.0 50.77 ? 15 PRO AE N 1 15 . A ATOM 2608 C CA . PRO AE 1 15 ? -20.986 0.230 4.651 1.0 53.91 ? 15 PRO AE CA 1 15 . A ATOM 2609 C C . PRO AE 1 15 ? -19.831 -0.793 4.596 1.0 56.51 ? 15 PRO AE C 1 15 . A ATOM 2610 O O . PRO AE 1 15 ? -19.989 -1.916 5.088 1.0 57.31 ? 15 PRO AE O 1 15 . A ATOM 2611 C CB . PRO AE 1 15 ? -20.741 1.549 5.415 1.0 53.68 ? 15 PRO AE CB 1 15 . A ATOM 2612 C CG . PRO AE 1 15 ? -22.243 1.954 5.917 1.0 51.99 ? 15 PRO AE CG 1 15 . A ATOM 2613 C CD . PRO AE 1 15 ? -23.043 0.622 5.869 1.0 51.13 ? 15 PRO AE CD 1 15 . A ATOM 2614 N N . ASN AE 1 16 ? -18.724 -0.494 3.922 1.0 58.64 ? 16 ASN AE N 1 16 . A ATOM 2615 C CA . ASN AE 1 16 ? -17.665 -1.508 3.825 1.0 61.9 ? 16 ASN AE CA 1 16 . A ATOM 2616 C C . ASN AE 1 16 ? -17.209 -1.755 5.219 1.0 62.5 ? 16 ASN AE C 1 16 . A ATOM 2617 O O . ASN AE 1 16 ? -17.053 -0.794 5.975 1.0 64.81 ? 16 ASN AE O 1 16 . A ATOM 2618 C CB . ASN AE 1 16 ? -16.449 -1.008 2.990 1.0 66.15 ? 16 ASN AE CB 1 16 . A ATOM 2619 C CG . ASN AE 1 16 ? -15.230 -0.480 3.867 1.0 69.06 ? 16 ASN AE CG 1 16 . A ATOM 2620 O OD1 . ASN AE 1 16 ? -14.059 -0.882 3.653 1.0 68.72 ? 16 ASN AE OD1 1 16 . A ATOM 2621 N ND2 . ASN AE 1 16 ? -15.511 0.464 4.799 1.0 70.32 ? 16 ASN AE ND2 1 16 . A ATOM 2622 N N . GLY AE 1 17 ? -16.964 -2.999 5.588 1.0 60.85 ? 17 GLY AE N 1 17 . A ATOM 2623 C CA . GLY AE 1 17 ? -16.457 -3.189 6.940 1.0 59.85 ? 17 GLY AE CA 1 17 . A ATOM 2624 C C . GLY AE 1 17 ? -17.526 -3.745 7.862 1.0 59.35 ? 17 GLY AE C 1 17 . A ATOM 2625 O O . GLY AE 1 17 ? -17.222 -4.574 8.763 1.0 60.92 ? 17 GLY AE O 1 17 . A ATOM 2626 N N . GLN AE 1 18 ? -18.768 -3.300 7.626 1.0 54.68 ? 18 GLN AE N 1 18 . A ATOM 2627 C CA . GLN AE 1 18 ? -19.912 -3.759 8.397 1.0 49.07 ? 18 GLN AE CA 1 18 . A ATOM 2628 C C . GLN AE 1 18 ? -20.495 -4.911 7.578 1.0 47.8 ? 18 GLN AE C 1 18 . A ATOM 2629 O O . GLN AE 1 18 ? -21.419 -4.753 6.751 1.0 47.3 ? 18 GLN AE O 1 18 . A ATOM 2630 C CB . GLN AE 1 18 ? -20.866 -2.607 8.640 1.0 47.09 ? 18 GLN AE CB 1 18 . A ATOM 2631 C CG . GLN AE 1 18 ? -20.156 -1.335 9.225 1.0 46.09 ? 18 GLN AE CG 1 18 . A ATOM 2632 C CD . GLN AE 1 18 ? -21.125 -0.254 9.730 1.0 46.53 ? 18 GLN AE CD 1 18 . A ATOM 2633 O OE1 . GLN AE 1 18 ? -21.745 0.495 8.949 1.0 48.08 ? 18 GLN AE OE1 1 18 . A ATOM 2634 N NE2 . GLN AE 1 18 ? -21.254 -0.162 11.045 1.0 46.26 ? 18 GLN AE NE2 1 18 . A ATOM 2635 N N . ASP AE 1 19 ? -19.836 -6.056 7.788 1.0 47.6 ? 19 ASP AE N 1 19 . A ATOM 2636 C CA . ASP AE 1 19 ? -20.107 -7.343 7.150 1.0 49.39 ? 19 ASP AE CA 1 19 . A ATOM 2637 C C . ASP AE 1 19 ? -21.031 -8.222 7.992 1.0 46.39 ? 19 ASP AE C 1 19 . A ATOM 2638 O O . ASP AE 1 19 ? -21.554 -9.253 7.495 1.0 45.43 ? 19 ASP AE O 1 19 . A ATOM 2639 C CB . ASP AE 1 19 ? -18.799 -8.113 6.811 1.0 54.58 ? 19 ASP AE CB 1 19 . A ATOM 2640 C CG . ASP AE 1 19 ? -17.799 -8.258 8.009 1.0 60.55 ? 19 ASP AE CG 1 19 . A ATOM 2641 O OD1 . ASP AE 1 19 ? -17.137 -7.258 8.400 1.0 61.98 ? 19 ASP AE OD1 1 19 . A ATOM 2642 O OD2 . ASP AE 1 19 ? -17.604 -9.400 8.525 1.0 63.59 ? 19 ASP AE OD2 1 19 . A ATOM 2643 N N . ILE AE 1 20 ? -21.211 -7.799 9.256 1.0 40.82 ? 20 ILE AE N 1 20 . A ATOM 2644 C CA . ILE AE 1 20 ? -21.997 -8.515 10.260 1.0 34.86 ? 20 ILE AE CA 1 20 . A ATOM 2645 C C . ILE AE 1 20 ? -23.200 -7.779 10.881 1.0 31.88 ? 20 ILE AE C 1 20 . A ATOM 2646 O O . ILE AE 1 20 ? -23.083 -6.610 11.249 1.0 31.6 ? 20 ILE AE O 1 20 . A ATOM 2647 C CB . ILE AE 1 20 ? -21.073 -8.869 11.425 1.0 33.62 ? 20 ILE AE CB 1 20 . A ATOM 2648 C CG1 . ILE AE 1 20 ? -19.823 -9.607 10.950 1.0 32.73 ? 20 ILE AE CG1 1 20 . A ATOM 2649 C CG2 . ILE AE 1 20 ? -21.822 -9.605 12.509 1.0 34.14 ? 20 ILE AE CG2 1 20 . A ATOM 2650 C CD1 . ILE AE 1 20 ? -18.674 -9.509 11.952 1.0 31.33 ? 20 ILE AE CD1 1 20 . A ATOM 2651 N N . CYS AE 1 21 ? -24.332 -8.465 11.037 1.0 29.77 ? 21 CYS AE N 1 21 . A ATOM 2652 C CA . CYS AE 1 21 ? -25.490 -7.869 11.699 1.0 30.43 ? 21 CYS AE CA 1 21 . A ATOM 2653 C C . CYS AE 1 21 ? -25.605 -8.271 13.204 1.0 29.65 ? 21 CYS AE C 1 21 . A ATOM 2654 O O . CYS AE 1 21 ? -25.195 -9.364 13.602 1.0 27.36 ? 21 CYS AE O 1 21 . A ATOM 2655 C CB . CYS AE 1 21 ? -26.769 -8.385 11.087 1.0 30.73 ? 21 CYS AE CB 1 21 . A ATOM 2656 S SG . CYS AE 1 21 ? -27.046 -8.113 9.334 1.0 29.63 ? 21 CYS AE SG 1 21 . A ATOM 2657 N N . PHE AE 1 22 ? -26.220 -7.435 14.025 1.0 28.89 ? 22 PHE AE N 1 22 . A ATOM 2658 C CA . PHE AE 1 22 ? -26.387 -7.894 15.390 1.0 28.7 ? 22 PHE AE CA 1 22 . A ATOM 2659 C C . PHE AE 1 22 ? -27.690 -7.495 16.026 1.0 27.23 ? 22 PHE AE C 1 22 . A ATOM 2660 O O . PHE AE 1 22 ? -28.414 -6.578 15.596 1.0 25.46 ? 22 PHE AE O 1 22 . A ATOM 2661 C CB . PHE AE 1 22 ? -25.265 -7.488 16.314 1.0 29.45 ? 22 PHE AE CB 1 22 . A ATOM 2662 C CG . PHE AE 1 22 ? -25.267 -6.035 16.610 1.0 31.37 ? 22 PHE AE CG 1 22 . A ATOM 2663 C CD1 . PHE AE 1 22 ? -26.086 -5.519 17.578 1.0 32.06 ? 22 PHE AE CD1 1 22 . A ATOM 2664 C CD2 . PHE AE 1 22 ? -24.469 -5.178 15.881 1.0 34.92 ? 22 PHE AE CD2 1 22 . A ATOM 2665 C CE1 . PHE AE 1 22 ? -26.115 -4.187 17.879 1.0 33.28 ? 22 PHE AE CE1 1 22 . A ATOM 2666 C CE2 . PHE AE 1 22 ? -24.468 -3.824 16.164 1.0 36.55 ? 22 PHE AE CE2 1 22 . A ATOM 2667 C CZ . PHE AE 1 22 ? -25.298 -3.341 17.179 1.0 35.59 ? 22 PHE AE CZ 1 22 . A ATOM 2668 N N . LEU AE 1 23 ? -27.983 -8.224 17.088 1.0 25.77 ? 23 LEU AE N 1 23 . A ATOM 2669 C CA . LEU AE 1 23 ? -29.155 -7.939 17.894 1.0 25.1 ? 23 LEU AE CA 1 23 . A ATOM 2670 C C . LEU AE 1 23 ? -28.670 -7.963 19.345 1.0 27.93 ? 23 LEU AE C 1 23 . A ATOM 2671 O O . LEU AE 1 23 ? -28.071 -8.931 19.843 1.0 27.96 ? 23 LEU AE O 1 23 . A ATOM 2672 C CB . LEU AE 1 23 ? -30.249 -8.911 17.607 1.0 21.46 ? 23 LEU AE CB 1 23 . A ATOM 2673 C CG . LEU AE 1 23 ? -31.453 -8.758 18.501 1.0 20.09 ? 23 LEU AE CG 1 23 . A ATOM 2674 C CD1 . LEU AE 1 23 ? -32.290 -7.567 18.131 1.0 18.92 ? 23 LEU AE CD1 1 23 . A ATOM 2675 C CD2 . LEU AE 1 23 ? -32.219 -9.917 18.054 1.0 20.77 ? 23 LEU AE CD2 1 23 . A ATOM 2676 N N . LYS AE 1 24 ? -28.774 -6.837 20.001 1.0 30.18 ? 24 LYS AE N 1 24 . A ATOM 2677 C CA . LYS AE 1 24 ? -28.240 -6.872 21.335 1.0 34.09 ? 24 LYS AE CA 1 24 . A ATOM 2678 C C . LYS AE 1 24 ? -29.228 -6.383 22.334 1.0 34.53 ? 24 LYS AE C 1 24 . A ATOM 2679 O O . LYS AE 1 24 ? -29.711 -5.237 22.235 1.0 32.85 ? 24 LYS AE O 1 24 . A ATOM 2680 C CB . LYS AE 1 24 ? -27.004 -6.015 21.446 1.0 34.92 ? 24 LYS AE CB 1 24 . A ATOM 2681 C CG . LYS AE 1 24 ? -26.694 -5.623 22.888 1.0 36.52 ? 24 LYS AE CG 1 24 . A ATOM 2682 C CD . LYS AE 1 24 ? -25.349 -4.846 22.923 1.0 37.71 ? 24 LYS AE CD 1 24 . A ATOM 2683 C CE . LYS AE 1 24 ? -25.564 -3.387 22.465 1.0 38.8 ? 24 LYS AE CE 1 24 . A ATOM 2684 N NZ . LYS AE 1 24 ? -24.271 -2.637 22.220 1.0 39.26 ? 24 LYS AE NZ 1 24 . A ATOM 2685 N N . ALA AE 1 25 ? -29.476 -7.240 23.318 1.0 35.39 ? 25 ALA AE N 1 25 . A ATOM 2686 C CA . ALA AE 1 25 ? -30.426 -6.896 24.385 1.0 36.81 ? 25 ALA AE CA 1 25 . A ATOM 2687 C C . ALA AE 1 25 ? -29.731 -6.513 25.677 1.0 41.45 ? 25 ALA AE C 1 25 . A ATOM 2688 O O . ALA AE 1 25 ? -29.227 -7.376 26.414 1.0 43.82 ? 25 ALA AE O 1 25 . A ATOM 2689 C CB . ALA AE 1 25 ? -31.340 -8.023 24.617 1.0 33.9 ? 25 ALA AE CB 1 25 . A ATOM 2690 N N . GLN AE 1 26 ? -29.665 -5.240 26.003 1.0 43.2 ? 26 GLN AE N 1 26 . A ATOM 2691 C CA . GLN AE 1 26 ? -29.013 -5.045 27.272 1.0 48.14 ? 26 GLN AE CA 1 26 . A ATOM 2692 C C . GLN AE 1 26 ? -29.825 -4.456 28.430 1.0 47.01 ? 26 GLN AE C 1 26 . A ATOM 2693 O O . GLN AE 1 26 ? -30.834 -3.753 28.209 1.0 46.42 ? 26 GLN AE O 1 26 . A ATOM 2694 C CB . GLN AE 1 26 ? -27.704 -4.359 27.097 1.0 52.9 ? 26 GLN AE CB 1 26 . A ATOM 2695 C CG . GLN AE 1 26 ? -27.809 -2.930 27.442 1.0 56.87 ? 26 GLN AE CG 1 26 . A ATOM 2696 C CD . GLN AE 1 26 ? -26.561 -2.267 27.009 1.0 61.2 ? 26 GLN AE CD 1 26 . A ATOM 2697 O OE1 . GLN AE 1 26 ? -26.090 -1.325 27.658 1.0 63.35 ? 26 GLN AE OE1 1 26 . A ATOM 2698 N NE2 . GLN AE 1 26 ? -25.957 -2.791 25.921 1.0 62.33 ? 26 GLN AE NE2 1 26 . A ATOM 2699 N N . CYS AE 1 27 ? -29.371 -4.760 29.656 1.0 45.9 ? 27 CYS AE N 1 27 . A ATOM 2700 C CA . CYS AE 1 27 ? -30.045 -4.309 30.909 1.0 43.28 ? 27 CYS AE CA 1 27 . A ATOM 2701 C C . CYS AE 1 27 ? -29.542 -3.056 31.645 1.0 41.17 ? 27 CYS AE C 1 27 . A ATOM 2702 O O . CYS AE 1 27 ? -28.368 -2.953 31.985 1.0 38.43 ? 27 CYS AE O 1 27 . A ATOM 2703 C CB . CYS AE 1 27 ? -30.019 -5.412 31.940 1.0 40.81 ? 27 CYS AE CB 1 27 . A ATOM 2704 S SG . CYS AE 1 27 ? -31.086 -6.806 31.565 1.0 39.95 ? 27 CYS AE SG 1 27 . A ATOM 2705 N N . ASP AE 1 28 ? -30.485 -2.157 31.947 1.0 42.44 ? 28 ASP AE N 1 28 . A ATOM 2706 C CA . ASP AE 1 28 ? -30.247 -0.945 32.729 1.0 41.65 ? 28 ASP AE CA 1 28 . A ATOM 2707 C C . ASP AE 1 28 ? -30.583 -1.418 34.155 1.0 44.82 ? 28 ASP AE C 1 28 . A ATOM 2708 O O . ASP AE 1 28 ? -31.013 -2.571 34.360 1.0 45.42 ? 28 ASP AE O 1 28 . A ATOM 2709 C CB . ASP AE 1 28 ? -31.262 0.136 32.330 1.0 38.36 ? 28 ASP AE CB 1 28 . A ATOM 2710 C CG . ASP AE 1 28 ? -32.633 -0.445 32.045 1.0 38.54 ? 28 ASP AE CG 1 28 . A ATOM 2711 O OD1 . ASP AE 1 28 ? -32.725 -1.685 31.989 1.0 37.66 ? 28 ASP AE OD1 1 28 . A ATOM 2712 O OD2 . ASP AE 1 28 ? -33.625 0.296 31.801 1.0 39.76 ? 28 ASP AE OD2 1 28 . A ATOM 2713 N N . LYS AE 1 29 ? -30.425 -0.514 35.125 1.0 46.42 ? 29 LYS AE N 1 29 . A ATOM 2714 C CA . LYS AE 1 29 ? -30.746 -0.737 36.542 1.0 46.53 ? 29 LYS AE CA 1 29 . A ATOM 2715 C C . LYS AE 1 29 ? -32.241 -1.140 36.614 1.0 46.32 ? 29 LYS AE C 1 29 . A ATOM 2716 O O . LYS AE 1 29 ? -32.758 -1.616 37.658 1.0 48.26 ? 29 LYS AE O 1 29 . A ATOM 2717 C CB . LYS AE 1 29 ? -30.451 0.563 37.344 1.0 46.49 ? 29 LYS AE CB 1 29 . A ATOM 2718 C CG . LYS AE 1 29 ? -31.283 0.819 38.635 1.0 47.19 ? 29 LYS AE CG 1 29 . A ATOM 2719 C CD . LYS AE 1 29 ? -30.964 2.138 39.429 1.0 46.22 ? 29 LYS AE CD 1 29 . A ATOM 2720 C CE . LYS AE 1 29 ? -29.595 2.678 39.078 1.0 46.42 ? 29 LYS AE CE 1 29 . A ATOM 2721 N NZ . LYS AE 1 29 ? -28.906 3.393 40.152 1.0 46.95 ? 29 LYS AE NZ 1 29 . A ATOM 2722 N N . PHE AE 1 30 ? -32.972 -0.930 35.518 1.0 41.84 ? 30 PHE AE N 1 30 . A ATOM 2723 C CA . PHE AE 1 30 ? -34.373 -1.273 35.558 1.0 38.74 ? 30 PHE AE CA 1 30 . A ATOM 2724 C C . PHE AE 1 30 ? -34.734 -2.363 34.593 1.0 36.8 ? 30 PHE AE C 1 30 . A ATOM 2725 O O . PHE AE 1 30 ? -35.824 -2.341 34.051 1.0 37.01 ? 30 PHE AE O 1 30 . A ATOM 2726 C CB . PHE AE 1 30 ? -35.185 -0.055 35.235 1.0 39.67 ? 30 PHE AE CB 1 30 . A ATOM 2727 C CG . PHE AE 1 30 ? -35.028 1.043 36.222 1.0 41.36 ? 30 PHE AE CG 1 30 . A ATOM 2728 C CD1 . PHE AE 1 30 ? -33.862 1.274 36.890 1.0 41.47 ? 30 PHE AE CD1 1 30 . A ATOM 2729 C CD2 . PHE AE 1 30 ? -36.063 1.859 36.479 1.0 43.92 ? 30 PHE AE CD2 1 30 . A ATOM 2730 C CE1 . PHE AE 1 30 ? -33.733 2.262 37.779 1.0 42.07 ? 30 PHE AE CE1 1 30 . A ATOM 2731 C CE2 . PHE AE 1 30 ? -35.934 2.888 37.375 1.0 44.11 ? 30 PHE AE CE2 1 30 . A ATOM 2732 C CZ . PHE AE 1 30 ? -34.751 3.080 38.016 1.0 43.11 ? 30 PHE AE CZ 1 30 . A ATOM 2733 N N . CYS AE 1 31 ? -33.818 -3.289 34.348 1.0 36.49 ? 31 CYS AE N 1 31 . A ATOM 2734 C CA . CYS AE 1 31 ? -34.117 -4.345 33.396 1.0 38.66 ? 31 CYS AE CA 1 31 . A ATOM 2735 C C . CYS AE 1 31 ? -35.370 -5.035 33.789 1.0 40.73 ? 31 CYS AE C 1 31 . A ATOM 2736 O O . CYS AE 1 31 ? -36.304 -5.045 33.006 1.0 42.36 ? 31 CYS AE O 1 31 . A ATOM 2737 C CB . CYS AE 1 31 ? -33.004 -5.357 33.298 1.0 39.72 ? 31 CYS AE CB 1 31 . A ATOM 2738 S SG . CYS AE 1 31 ? -32.993 -6.145 31.687 1.0 40.74 ? 31 CYS AE SG 1 31 . A ATOM 2739 N N . SER AE 1 32 ? -35.429 -5.506 35.037 1.0 42.26 ? 32 SER AE N 1 32 . A ATOM 2740 C CA . SER AE 1 32 ? -36.669 -6.149 35.556 1.0 41.59 ? 32 SER AE CA 1 32 . A ATOM 2741 C C . SER AE 1 32 ? -38.062 -5.485 35.377 1.0 36.06 ? 32 SER AE C 1 32 . A ATOM 2742 O O . SER AE 1 32 ? -39.048 -6.176 35.353 1.0 37.61 ? 32 SER AE O 1 32 . A ATOM 2743 C CB . SER AE 1 32 ? -36.500 -6.987 36.865 1.0 42.09 ? 32 SER AE CB 1 32 . A ATOM 2744 O OG . SER AE 1 32 ? -36.134 -6.168 37.973 1.0 41.18 ? 32 SER AE OG 1 32 . A ATOM 2745 N N . ILE AE 1 33 ? -38.201 -4.187 35.221 1.0 30.34 ? 33 ILE AE N 1 33 . A ATOM 2746 C CA . ILE AE 1 33 ? -39.582 -3.729 35.034 1.0 31.26 ? 33 ILE AE CA 1 33 . A ATOM 2747 C C . ILE AE 1 33 ? -39.892 -3.162 33.625 1.0 28.5 ? 33 ILE AE C 1 33 . A ATOM 2748 O O . ILE AE 1 33 ? -41.042 -3.186 33.153 1.0 23.42 ? 33 ILE AE O 1 33 . A ATOM 2749 C CB . ILE AE 1 33 ? -39.943 -2.594 36.044 1.0 32.57 ? 33 ILE AE CB 1 33 . A ATOM 2750 C CG1 . ILE AE 1 33 ? -39.525 -2.907 37.487 1.0 29.33 ? 33 ILE AE CG1 1 33 . A ATOM 2751 C CG2 . ILE AE 1 33 ? -41.284 -1.913 35.712 1.0 32.21 ? 33 ILE AE CG2 1 33 . A ATOM 2752 C CD1 . ILE AE 1 33 ? -38.237 -2.256 37.745 1.0 27.98 ? 33 ILE AE CD1 1 33 . A ATOM 2753 N N . ARG AE 1 34 ? -38.838 -2.562 33.062 1.0 28.95 ? 34 ARG AE N 1 34 . A ATOM 2754 C CA . ARG AE 1 34 ? -38.817 -1.929 31.752 1.0 28.21 ? 34 ARG AE CA 1 34 . A ATOM 2755 C C . ARG AE 1 34 ? -38.573 -3.062 30.792 1.0 28.16 ? 34 ARG AE C 1 34 . A ATOM 2756 O O . ARG AE 1 34 ? -39.459 -3.408 30.021 1.0 31.43 ? 34 ARG AE O 1 34 . A ATOM 2757 C CB . ARG AE 1 34 ? -37.663 -0.963 31.671 1.0 28.19 ? 34 ARG AE CB 1 34 . A ATOM 2758 C CG . ARG AE 1 34 ? -38.098 0.372 32.145 1.0 29.87 ? 34 ARG AE CG 1 34 . A ATOM 2759 C CD . ARG AE 1 34 ? -36.920 1.088 32.670 1.0 34.58 ? 34 ARG AE CD 1 34 . A ATOM 2760 N NE . ARG AE 1 34 ? -37.061 2.488 32.263 1.0 40.83 ? 34 ARG AE NE 1 34 . A ATOM 2761 C CZ . ARG AE 1 34 ? -36.296 3.096 31.343 1.0 43.87 ? 34 ARG AE CZ 1 34 . A ATOM 2762 N NH1 . ARG AE 1 34 ? -35.283 2.439 30.735 1.0 43.84 ? 34 ARG AE NH1 1 34 . A ATOM 2763 N NH2 . ARG AE 1 34 ? -36.542 4.377 31.060 1.0 45.15 ? 34 ARG AE NH2 1 34 . A ATOM 2764 N N . GLY AE 1 35 ? -37.423 -3.686 30.925 1.0 23.98 ? 35 GLY AE N 1 35 . A ATOM 2765 C CA . GLY AE 1 35 ? -37.045 -4.771 30.076 1.0 20.63 ? 35 GLY AE CA 1 35 . A ATOM 2766 C C . GLY AE 1 35 ? -35.741 -4.293 29.596 1.0 20.97 ? 35 GLY AE C 1 35 . A ATOM 2767 O O . GLY AE 1 35 ? -35.314 -3.169 29.857 1.0 21.69 ? 35 GLY AE O 1 35 . A ATOM 2768 N N . PRO AE 1 36 ? -35.099 -5.161 28.877 1.0 23.25 ? 36 PRO AE N 1 36 . A ATOM 2769 C CA . PRO AE 1 36 ? -33.823 -4.896 28.268 1.0 25.32 ? 36 PRO AE CA 1 36 . A ATOM 2770 C C . PRO AE 1 36 ? -34.014 -3.893 27.165 1.0 27.91 ? 36 PRO AE C 1 36 . A ATOM 2771 O O . PRO AE 1 36 ? -35.115 -3.664 26.654 1.0 26.51 ? 36 PRO AE O 1 36 . A ATOM 2772 C CB . PRO AE 1 36 ? -33.498 -6.222 27.616 1.0 23.9 ? 36 PRO AE CB 1 36 . A ATOM 2773 C CG . PRO AE 1 36 ? -34.835 -6.820 27.342 1.0 22.81 ? 36 PRO AE CG 1 36 . A ATOM 2774 C CD . PRO AE 1 36 ? -35.925 -5.955 27.988 1.0 23.38 ? 36 PRO AE CD 1 36 . A ATOM 2775 N N . VAL AE 1 37 ? -32.892 -3.261 26.875 1.0 33.14 ? 37 VAL AE N 1 37 . A ATOM 2776 C CA . VAL AE 1 37 ? -32.721 -2.261 25.822 1.0 35.3 ? 37 VAL AE CA 1 37 . A ATOM 2777 C C . VAL AE 1 37 ? -32.070 -2.947 24.599 1.0 35.46 ? 37 VAL AE C 1 37 . A ATOM 2778 O O . VAL AE 1 37 ? -30.887 -3.378 24.622 1.0 34.13 ? 37 VAL AE O 1 37 . A ATOM 2779 C CB . VAL AE 1 37 ? -31.787 -1.183 26.307 1.0 35.48 ? 37 VAL AE CB 1 37 . A ATOM 2780 C CG1 . VAL AE 1 37 ? -31.180 -0.477 25.147 1.0 35.34 ? 37 VAL AE CG1 1 37 . A ATOM 2781 C CG2 . VAL AE 1 37 ? -32.577 -0.263 27.101 1.0 36.78 ? 37 VAL AE CG2 1 37 . A ATOM 2782 N N . ILE AE 1 38 ? -32.898 -3.062 23.562 1.0 36.47 ? 38 ILE AE N 1 38 . A ATOM 2783 C CA . ILE AE 1 38 ? -32.540 -3.686 22.294 1.0 35.22 ? 38 ILE AE CA 1 38 . A ATOM 2784 C C . ILE AE 1 38 ? -31.888 -2.723 21.317 1.0 32.58 ? 38 ILE AE C 1 38 . A ATOM 2785 O O . ILE AE 1 38 ? -32.132 -1.527 21.303 1.0 32.75 ? 38 ILE AE O 1 38 . A ATOM 2786 C CB . ILE AE 1 38 ? -33.758 -4.307 21.653 1.0 34.61 ? 38 ILE AE CB 1 38 . A ATOM 2787 C CG1 . ILE AE 1 38 ? -34.116 -5.596 22.414 1.0 33.41 ? 38 ILE AE CG1 1 38 . A ATOM 2788 C CG2 . ILE AE 1 38 ? -33.536 -4.460 20.184 1.0 34.08 ? 38 ILE AE CG2 1 38 . A ATOM 2789 C CD1 . ILE AE 1 38 ? -34.926 -5.320 23.603 1.0 32.32 ? 38 ILE AE CD1 1 38 . A ATOM 2790 N N . GLU AE 1 39 ? -30.967 -3.264 20.564 1.0 30.43 ? 39 GLU AE N 1 39 . A ATOM 2791 C CA . GLU AE 1 39 ? -30.251 -2.513 19.583 1.0 28.97 ? 39 GLU AE CA 1 39 . A ATOM 2792 C C . GLU AE 1 39 ? -29.712 -3.407 18.454 1.0 25.44 ? 39 GLU AE C 1 39 . A ATOM 2793 O O . GLU AE 1 39 ? -28.854 -4.250 18.640 1.0 22.64 ? 39 GLU AE O 1 39 . A ATOM 2794 C CB . GLU AE 1 39 ? -29.151 -1.763 20.254 1.0 33.85 ? 39 GLU AE CB 1 39 . A ATOM 2795 C CG . GLU AE 1 39 ? -27.941 -1.684 19.381 1.0 39.21 ? 39 GLU AE CG 1 39 . A ATOM 2796 C CD . GLU AE 1 39 ? -26.944 -0.679 19.951 1.0 45.37 ? 39 GLU AE CD 1 39 . A ATOM 2797 O OE1 . GLU AE 1 39 ? -26.716 -0.675 21.194 1.0 47.9 ? 39 GLU AE OE1 1 39 . A ATOM 2798 O OE2 . GLU AE 1 39 ? -26.371 0.115 19.170 1.0 47.92 ? 39 GLU AE OE2 1 39 . A ATOM 2799 N N . GLN AE 1 40 ? -30.259 -3.233 17.263 1.0 27.03 ? 40 GLN AE N 1 40 . A ATOM 2800 C CA . GLN AE 1 40 ? -29.792 -4.017 16.129 1.0 28.99 ? 40 GLN AE CA 1 40 . A ATOM 2801 C C . GLN AE 1 40 ? -29.272 -3.160 14.974 1.0 29.88 ? 40 GLN AE C 1 40 . A ATOM 2802 O O . GLN AE 1 40 ? -29.673 -2.027 14.818 1.0 30.15 ? 40 GLN AE O 1 40 . A ATOM 2803 C CB . GLN AE 1 40 ? -30.895 -4.908 15.643 1.0 28.99 ? 40 GLN AE CB 1 40 . A ATOM 2804 C CG . GLN AE 1 40 ? -32.004 -5.017 16.587 1.0 29.1 ? 40 GLN AE CG 1 40 . A ATOM 2805 C CD . GLN AE 1 40 ? -33.314 -4.867 15.875 1.0 31.73 ? 40 GLN AE CD 1 40 . A ATOM 2806 O OE1 . GLN AE 1 40 ? -33.822 -5.972 15.293 1.0 27.55 ? 40 GLN AE OE1 1 40 . A ATOM 2807 N NE2 . GLN AE 1 40 ? -33.876 -3.733 15.834 1.0 35.19 ? 40 GLN AE NE2 1 40 . A ATOM 2808 N N . GLY AE 1 41 ? -28.395 -3.703 14.146 1.0 30.44 ? 41 GLY AE N 1 41 . A ATOM 2809 C CA . GLY AE 1 41 ? -27.878 -2.947 13.005 1.0 30.12 ? 41 GLY AE CA 1 41 . A ATOM 2810 C C . GLY AE 1 41 ? -26.591 -3.567 12.466 1.0 29.33 ? 41 GLY AE C 1 41 . A ATOM 2811 O O . GLY AE 1 41 ? -26.279 -4.760 12.699 1.0 26.41 ? 41 GLY AE O 1 41 . A ATOM 2812 N N . CYS AE 1 42 ? -25.827 -2.722 11.779 1.0 30.97 ? 42 CYS AE N 1 42 . A ATOM 2813 C CA . CYS AE 1 42 ? -24.603 -3.157 11.160 1.0 33.37 ? 42 CYS AE CA 1 42 . A ATOM 2814 C C . CYS AE 1 42 ? -23.320 -3.058 11.987 1.0 31.99 ? 42 CYS AE C 1 42 . A ATOM 2815 O O . CYS AE 1 42 ? -22.794 -1.965 12.210 1.0 32.93 ? 42 CYS AE O 1 42 . A ATOM 2816 C CB . CYS AE 1 42 ? -24.421 -2.389 9.829 1.0 39.19 ? 42 CYS AE CB 1 42 . A ATOM 2817 S SG . CYS AE 1 42 ? -25.655 -2.577 8.466 1.0 43.48 ? 42 CYS AE SG 1 42 . A ATOM 2818 N N . VAL AE 1 43 ? -22.735 -4.170 12.388 1.0 30.59 ? 43 VAL AE N 1 43 . A ATOM 2819 C CA . VAL AE 1 43 ? -21.470 -4.020 13.067 1.0 32.51 ? 43 VAL AE CA 1 43 . A ATOM 2820 C C . VAL AE 1 43 ? -20.276 -4.499 12.181 1.0 37.07 ? 43 VAL AE C 1 43 . A ATOM 2821 O O . VAL AE 1 43 ? -20.499 -5.106 11.145 1.0 38.19 ? 43 VAL AE O 1 43 . A ATOM 2822 C CB . VAL AE 1 43 ? -21.519 -4.529 14.534 1.0 30.71 ? 43 VAL AE CB 1 43 . A ATOM 2823 C CG1 . VAL AE 1 43 ? -21.854 -5.978 14.602 1.0 27.96 ? 43 VAL AE CG1 1 43 . A ATOM 2824 C CG2 . VAL AE 1 43 ? -20.243 -4.159 15.262 1.0 29.81 ? 43 VAL AE CG2 1 43 . A ATOM 2825 N N . ALA AE 1 44 ? -19.023 -4.195 12.533 1.0 37.59 ? 44 ALA AE N 1 44 . A ATOM 2826 C CA . ALA AE 1 44 ? -17.861 -4.614 11.744 1.0 37.43 ? 44 ALA AE CA 1 44 . A ATOM 2827 C C . ALA AE 1 44 ? -17.212 -5.760 12.380 1.0 40.72 ? 44 ALA AE C 1 44 . A ATOM 2828 O O . ALA AE 1 44 ? -16.363 -6.416 11.771 1.0 42.91 ? 44 ALA AE O 1 44 . A ATOM 2829 C CB . ALA AE 1 44 ? -16.856 -3.588 11.756 1.0 37.15 ? 44 ALA AE CB 1 44 . A ATOM 2830 N N . THR AE 1 45 ? -17.529 -5.898 13.666 1.0 42.19 ? 45 THR AE N 1 45 . A ATOM 2831 C CA . THR AE 1 45 ? -17.061 -6.971 14.528 1.0 40.76 ? 45 THR AE CA 1 45 . A ATOM 2832 C C . THR AE 1 45 ? -18.247 -7.371 15.356 1.0 40.64 ? 45 THR AE C 1 45 . A ATOM 2833 O O . THR AE 1 45 ? -19.264 -6.711 15.242 1.0 42.02 ? 45 THR AE O 1 45 . A ATOM 2834 C CB . THR AE 1 45 ? -16.163 -6.411 15.532 1.0 39.99 ? 45 THR AE CB 1 45 . A ATOM 2835 O OG1 . THR AE 1 45 ? -15.962 -5.031 15.230 1.0 39.23 ? 45 THR AE OG1 1 45 . A ATOM 2836 C CG2 . THR AE 1 45 ? -14.899 -7.193 15.513 1.0 40.58 ? 45 THR AE CG2 1 45 . A ATOM 2837 N N . CYS AE 1 46 ? -18.136 -8.428 16.166 1.0 38.84 ? 46 CYS AE N 1 46 . A ATOM 2838 C CA . CYS AE 1 46 ? -19.221 -8.800 17.062 1.0 39.0 ? 46 CYS AE CA 1 46 . A ATOM 2839 C C . CYS AE 1 46 ? -18.764 -8.266 18.416 1.0 38.56 ? 46 CYS AE C 1 46 . A ATOM 2840 O O . CYS AE 1 46 ? -17.755 -8.715 18.953 1.0 38.31 ? 46 CYS AE O 1 46 . A ATOM 2841 C CB . CYS AE 1 46 ? -19.426 -10.307 17.213 1.0 40.19 ? 46 CYS AE CB 1 46 . A ATOM 2842 S SG . CYS AE 1 46 ? -20.838 -10.829 18.275 1.0 39.6 ? 46 CYS AE SG 1 46 . A ATOM 2843 N N . PRO AE 1 47 ? -19.526 -7.327 18.983 1.0 38.29 ? 47 PRO AE N 1 47 . A ATOM 2844 C CA . PRO AE 1 47 ? -19.184 -6.804 20.279 1.0 36.44 ? 47 PRO AE CA 1 47 . A ATOM 2845 C C . PRO AE 1 47 ? -19.045 -7.872 21.358 1.0 33.88 ? 47 PRO AE C 1 47 . A ATOM 2846 O O . PRO AE 1 47 ? -19.853 -8.747 21.551 1.0 30.56 ? 47 PRO AE O 1 47 . A ATOM 2847 C CB . PRO AE 1 47 ? -20.336 -5.848 20.580 1.0 36.62 ? 47 PRO AE CB 1 47 . A ATOM 2848 C CG . PRO AE 1 47 ? -21.363 -6.012 19.479 1.0 34.78 ? 47 PRO AE CG 1 47 . A ATOM 2849 C CD . PRO AE 1 47 ? -20.982 -7.199 18.733 1.0 37.47 ? 47 PRO AE CD 1 47 . A ATOM 2850 N N . GLN AE 1 48 ? -17.925 -7.790 22.026 1.0 38.24 ? 48 GLN AE N 1 48 . A ATOM 2851 C CA . GLN AE 1 48 ? -17.590 -8.658 23.117 1.0 42.47 ? 48 GLN AE CA 1 48 . A ATOM 2852 C C . GLN AE 1 48 ? -18.741 -8.543 24.104 1.0 42.48 ? 48 GLN AE C 1 48 . A ATOM 2853 O O . GLN AE 1 48 ? -19.240 -7.417 24.406 1.0 40.12 ? 48 GLN AE O 1 48 . A ATOM 2854 C CB . GLN AE 1 48 ? -16.319 -8.106 23.775 1.0 48.02 ? 48 GLN AE CB 1 48 . A ATOM 2855 C CG . GLN AE 1 48 ? -14.967 -8.382 23.052 1.0 51.08 ? 48 GLN AE CG 1 48 . A ATOM 2856 C CD . GLN AE 1 48 ? -14.993 -9.700 22.297 1.0 53.59 ? 48 GLN AE CD 1 48 . A ATOM 2857 O OE1 . GLN AE 1 48 ? -14.921 -10.793 22.911 1.0 53.35 ? 48 GLN AE OE1 1 48 . A ATOM 2858 N NE2 . GLN AE 1 48 ? -15.169 -9.636 20.957 1.0 53.9 ? 48 GLN AE NE2 1 48 . A ATOM 2859 N N . PHE AE 1 49 ? -19.115 -9.728 24.606 1.0 43.74 ? 49 PHE AE N 1 49 . A ATOM 2860 C CA . PHE AE 1 49 ? -20.238 -9.980 25.530 1.0 44.79 ? 49 PHE AE CA 1 49 . A ATOM 2861 C C . PHE AE 1 49 ? -20.161 -9.405 26.982 1.0 48.93 ? 49 PHE AE C 1 49 . A ATOM 2862 O O . PHE AE 1 49 ? -19.582 -10.034 27.881 1.0 51.73 ? 49 PHE AE O 1 49 . A ATOM 2863 C CB . PHE AE 1 49 ? -20.555 -11.494 25.481 1.0 41.3 ? 49 PHE AE CB 1 49 . A ATOM 2864 C CG . PHE AE 1 49 ? -21.914 -11.874 25.983 1.0 39.12 ? 49 PHE AE CG 1 49 . A ATOM 2865 C CD1 . PHE AE 1 49 ? -23.023 -11.631 25.257 1.0 39.9 ? 49 PHE AE CD1 1 49 . A ATOM 2866 C CD2 . PHE AE 1 49 ? -22.075 -12.497 27.187 1.0 40.73 ? 49 PHE AE CD2 1 49 . A ATOM 2867 C CE1 . PHE AE 1 49 ? -24.275 -12.034 25.716 1.0 41.01 ? 49 PHE AE CE1 1 49 . A ATOM 2868 C CE2 . PHE AE 1 49 ? -23.335 -12.875 27.692 1.0 40.8 ? 49 PHE AE CE2 1 49 . A ATOM 2869 C CZ . PHE AE 1 49 ? -24.432 -12.652 26.959 1.0 40.7 ? 49 PHE AE CZ 1 49 . A ATOM 2870 N N . ARG AE 1 50 ? -20.755 -8.219 27.194 1.0 49.71 ? 50 ARG AE N 1 50 . A ATOM 2871 C CA . ARG AE 1 50 ? -20.779 -7.507 28.486 1.0 49.27 ? 50 ARG AE CA 1 50 . A ATOM 2872 C C . ARG AE 1 50 ? -21.702 -8.240 29.408 1.0 49.73 ? 50 ARG AE C 1 50 . A ATOM 2873 O O . ARG AE 1 50 ? -22.781 -8.612 28.989 1.0 51.13 ? 50 ARG AE O 1 50 . A ATOM 2874 C CB . ARG AE 1 50 ? -21.265 -6.060 28.333 1.0 48.2 ? 50 ARG AE CB 1 50 . A ATOM 2875 C CG . ARG AE 1 50 ? -20.082 -5.116 28.458 1.0 49.79 ? 50 ARG AE CG 1 50 . A ATOM 2876 C CD . ARG AE 1 50 ? -20.150 -3.860 27.558 1.0 52.42 ? 50 ARG AE CD 1 50 . A ATOM 2877 N NE . ARG AE 1 50 ? -21.509 -3.303 27.381 1.0 54.14 ? 50 ARG AE NE 1 50 . A ATOM 2878 C CZ . ARG AE 1 50 ? -21.755 -2.074 26.922 1.0 54.92 ? 50 ARG AE CZ 1 50 . A ATOM 2879 N NH1 . ARG AE 1 50 ? -20.750 -1.256 26.583 1.0 53.78 ? 50 ARG AE NH1 1 50 . A ATOM 2880 N NH2 . ARG AE 1 50 ? -23.017 -1.673 26.797 1.0 55.88 ? 50 ARG AE NH2 1 50 . A ATOM 2881 N N . SER AE 1 51 ? -21.277 -8.440 30.648 1.0 49.64 ? 51 SER AE N 1 51 . A ATOM 2882 C CA . SER AE 1 51 ? -22.047 -9.152 31.681 1.0 49.33 ? 51 SER AE CA 1 51 . A ATOM 2883 C C . SER AE 1 51 ? -23.511 -8.691 31.866 1.0 45.18 ? 51 SER AE C 1 51 . A ATOM 2884 O O . SER AE 1 51 ? -24.391 -9.490 32.235 1.0 44.71 ? 51 SER AE O 1 51 . A ATOM 2885 C CB . SER AE 1 51 ? -21.288 -9.100 33.026 1.0 53.28 ? 51 SER AE CB 1 51 . A ATOM 2886 O OG . SER AE 1 51 ? -21.014 -10.403 33.567 1.0 55.99 ? 51 SER AE OG 1 51 . A ATOM 2887 N N . ASN AE 1 52 ? -23.755 -7.411 31.594 1.0 42.18 ? 52 ASN AE N 1 52 . A ATOM 2888 C CA . ASN AE 1 52 ? -25.076 -6.815 31.627 1.0 41.02 ? 52 ASN AE CA 1 52 . A ATOM 2889 C C . ASN AE 1 52 ? -26.042 -7.201 30.486 1.0 35.61 ? 52 ASN AE C 1 52 . A ATOM 2890 O O . ASN AE 1 52 ? -27.138 -6.629 30.379 1.0 37.48 ? 52 ASN AE O 1 52 . A ATOM 2891 C CB . ASN AE 1 52 ? -24.902 -5.293 31.586 1.0 47.61 ? 52 ASN AE CB 1 52 . A ATOM 2892 C CG . ASN AE 1 52 ? -24.281 -4.759 30.261 1.0 53.41 ? 52 ASN AE CG 1 52 . A ATOM 2893 O OD1 . ASN AE 1 52 ? -24.043 -5.523 29.306 1.0 56.53 ? 52 ASN AE OD1 1 52 . A ATOM 2894 N ND2 . ASN AE 1 52 ? -23.994 -3.430 30.223 1.0 54.09 ? 52 ASN AE ND2 1 52 . A ATOM 2895 N N . TYR AE 1 53 ? -25.693 -8.120 29.597 1.0 29.78 ? 53 TYR AE N 1 53 . A ATOM 2896 C CA . TYR AE 1 53 ? -26.660 -8.370 28.550 1.0 28.46 ? 53 TYR AE CA 1 53 . A ATOM 2897 C C . TYR AE 1 53 ? -27.506 -9.592 28.788 1.0 28.38 ? 53 TYR AE C 1 53 . A ATOM 2898 O O . TYR AE 1 53 ? -27.067 -10.578 29.355 1.0 31.52 ? 53 TYR AE O 1 53 . A ATOM 2899 C CB . TYR AE 1 53 ? -26.075 -8.504 27.137 1.0 27.58 ? 53 TYR AE CB 1 53 . A ATOM 2900 C CG . TYR AE 1 53 ? -25.098 -7.507 26.517 1.0 27.0 ? 53 TYR AE CG 1 53 . A ATOM 2901 C CD1 . TYR AE 1 53 ? -25.355 -6.129 26.404 1.0 25.58 ? 53 TYR AE CD1 1 53 . A ATOM 2902 C CD2 . TYR AE 1 53 ? -23.970 -7.981 25.894 1.0 25.81 ? 53 TYR AE CD2 1 53 . A ATOM 2903 C CE1 . TYR AE 1 53 ? -24.412 -5.290 25.837 1.0 22.81 ? 53 TYR AE CE1 1 53 . A ATOM 2904 C CE2 . TYR AE 1 53 ? -23.106 -7.143 25.224 1.0 24.23 ? 53 TYR AE CE2 1 53 . A ATOM 2905 C CZ . TYR AE 1 53 ? -23.319 -5.829 25.235 1.0 22.13 ? 53 TYR AE CZ 1 53 . A ATOM 2906 O OH . TYR AE 1 53 ? -22.408 -5.077 24.549 1.0 21.54 ? 53 TYR AE OH 1 53 . A ATOM 2907 N N . ARG AE 1 54 ? -28.713 -9.548 28.264 1.0 24.77 ? 54 ARG AE N 1 54 . A ATOM 2908 C CA . ARG AE 1 54 ? -29.605 -10.614 28.381 1.0 22.37 ? 54 ARG AE CA 1 54 . A ATOM 2909 C C . ARG AE 1 54 ? -29.315 -11.425 27.150 1.0 25.45 ? 54 ARG AE C 1 54 . A ATOM 2910 O O . ARG AE 1 54 ? -29.768 -12.582 27.042 1.0 27.65 ? 54 ARG AE O 1 54 . A ATOM 2911 C CB . ARG AE 1 54 ? -30.937 -10.004 28.320 1.0 25.52 ? 54 ARG AE CB 1 54 . A ATOM 2912 C CG . ARG AE 1 54 ? -32.063 -10.944 28.136 1.0 32.99 ? 54 ARG AE CG 1 54 . A ATOM 2913 C CD . ARG AE 1 54 ? -32.640 -11.618 29.447 1.0 39.41 ? 54 ARG AE CD 1 54 . A ATOM 2914 N NE . ARG AE 1 54 ? -32.963 -10.685 30.551 1.0 43.93 ? 54 ARG AE NE 1 54 . A ATOM 2915 C CZ . ARG AE 1 54 ? -34.135 -10.068 30.737 1.0 45.32 ? 54 ARG AE CZ 1 54 . A ATOM 2916 N NH1 . ARG AE 1 54 ? -35.141 -10.222 29.868 1.0 43.69 ? 54 ARG AE NH1 1 54 . A ATOM 2917 N NH2 . ARG AE 1 54 ? -34.274 -9.265 31.798 1.0 46.65 ? 54 ARG AE NH2 1 54 . A ATOM 2918 N N . SER AE 1 55 ? -28.526 -10.866 26.218 1.0 24.35 ? 55 SER AE N 1 55 . A ATOM 2919 C CA . SER AE 1 55 ? -28.145 -11.592 24.981 1.0 22.71 ? 55 SER AE CA 1 55 . A ATOM 2920 C C . SER AE 1 55 ? -27.675 -10.804 23.835 1.0 20.43 ? 55 SER AE C 1 55 . A ATOM 2921 O O . SER AE 1 55 ? -28.146 -9.713 23.610 1.0 18.38 ? 55 SER AE O 1 55 . A ATOM 2922 C CB . SER AE 1 55 ? -29.244 -12.426 24.354 1.0 21.37 ? 55 SER AE CB 1 55 . A ATOM 2923 O OG . SER AE 1 55 ? -30.166 -11.511 23.902 1.0 19.0 ? 55 SER AE OG 1 55 . A ATOM 2924 N N . LEU AE 1 56 ? -26.773 -11.483 23.107 1.0 22.76 ? 56 LEU AE N 1 56 . A ATOM 2925 C CA . LEU AE 1 56 ? -26.075 -11.065 21.881 1.0 23.12 ? 56 LEU AE CA 1 56 . A ATOM 2926 C C . LEU AE 1 56 ? -26.406 -12.159 20.852 1.0 27.1 ? 56 LEU AE C 1 56 . A ATOM 2927 O O . LEU AE 1 56 ? -26.669 -13.307 21.205 1.0 27.93 ? 56 LEU AE O 1 56 . A ATOM 2928 C CB . LEU AE 1 56 ? -24.584 -11.023 22.081 1.0 18.26 ? 56 LEU AE CB 1 56 . A ATOM 2929 C CG . LEU AE 1 56 ? -23.997 -9.689 21.708 1.0 17.06 ? 56 LEU AE CG 1 56 . A ATOM 2930 C CD1 . LEU AE 1 56 ? -22.553 -9.913 21.469 1.0 17.48 ? 56 LEU AE CD1 1 56 . A ATOM 2931 C CD2 . LEU AE 1 56 ? -24.621 -9.062 20.499 1.0 16.57 ? 56 LEU AE CD2 1 56 . A ATOM 2932 N N . LEU AE 1 57 ? -26.494 -11.722 19.599 1.0 28.81 ? 57 LEU AE N 1 57 . A ATOM 2933 C CA . LEU AE 1 57 ? -26.840 -12.493 18.407 1.0 27.68 ? 57 LEU AE CA 1 57 . A ATOM 2934 C C . LEU AE 1 57 ? -26.004 -11.804 17.359 1.0 30.99 ? 57 LEU AE C 1 57 . A ATOM 2935 O O . LEU AE 1 57 ? -26.219 -10.589 17.122 1.0 31.34 ? 57 LEU AE O 1 57 . A ATOM 2936 C CB . LEU AE 1 57 ? -28.248 -12.162 17.972 1.0 25.62 ? 57 LEU AE CB 1 57 . A ATOM 2937 C CG . LEU AE 1 57 ? -28.600 -12.960 16.721 1.0 27.16 ? 57 LEU AE CG 1 57 . A ATOM 2938 C CD1 . LEU AE 1 57 ? -28.036 -14.377 16.842 1.0 30.76 ? 57 LEU AE CD1 1 57 . A ATOM 2939 C CD2 . LEU AE 1 57 ? -30.010 -12.924 16.104 1.0 24.93 ? 57 LEU AE CD2 1 57 . A ATOM 2940 N N . CYS AE 1 58 ? -25.074 -12.543 16.754 1.0 32.11 ? 58 CYS AE N 1 58 . A ATOM 2941 C CA . CYS AE 1 58 ? -24.215 -11.995 15.707 1.0 34.99 ? 58 CYS AE CA 1 58 . A ATOM 2942 C C . CYS AE 1 58 ? -24.289 -12.983 14.561 1.0 34.48 ? 58 CYS AE C 1 58 . A ATOM 2943 O O . CYS AE 1 58 ? -23.924 -14.158 14.737 1.0 33.44 ? 58 CYS AE O 1 58 . A ATOM 2944 C CB . CYS AE 1 58 ? -22.785 -11.902 16.195 1.0 38.44 ? 58 CYS AE CB 1 58 . A ATOM 2945 S SG . CYS AE 1 58 ? -22.420 -10.364 17.094 1.0 42.05 ? 58 CYS AE SG 1 58 . A ATOM 2946 N N . CYS AE 1 59 ? -24.797 -12.515 13.416 1.0 34.51 ? 59 CYS AE N 1 59 . A ATOM 2947 C CA . CYS AE 1 59 ? -24.993 -13.346 12.217 1.0 35.51 ? 59 CYS AE CA 1 59 . A ATOM 2948 C C . CYS AE 1 59 ? -24.651 -12.659 10.861 1.0 37.66 ? 59 CYS AE C 1 59 . A ATOM 2949 O O . CYS AE 1 59 ? -25.074 -11.501 10.624 1.0 39.07 ? 59 CYS AE O 1 59 . A ATOM 2950 C CB . CYS AE 1 59 ? -26.420 -13.806 12.181 1.0 32.47 ? 59 CYS AE CB 1 59 . A ATOM 2951 S SG . CYS AE 1 59 ? -27.481 -12.341 12.221 1.0 33.95 ? 59 CYS AE SG 1 59 . A ATOM 2952 N N . THR AE 1 60 ? -23.894 -13.377 9.997 1.0 34.55 ? 60 THR AE N 1 60 . A ATOM 2953 C CA . THR AE 1 60 ? -23.437 -12.932 8.663 1.0 28.91 ? 60 THR AE CA 1 60 . A ATOM 2954 C C . THR AE 1 60 ? -24.466 -13.460 7.671 1.0 24.34 ? 60 THR AE C 1 60 . A ATOM 2955 O O . THR AE 1 60 ? -24.342 -14.554 7.244 1.0 25.09 ? 60 THR AE O 1 60 . A ATOM 2956 C CB . THR AE 1 60 ? -22.221 -13.720 8.333 1.0 30.52 ? 60 THR AE CB 1 60 . A ATOM 2957 O OG1 . THR AE 1 60 ? -22.557 -15.071 8.539 1.0 32.11 ? 60 THR AE OG1 1 60 . A ATOM 2958 C CG2 . THR AE 1 60 ? -21.052 -13.458 9.296 1.0 31.83 ? 60 THR AE CG2 1 60 . A ATOM 2959 N N . THR AE 1 61 ? -25.511 -12.699 7.363 1.0 21.33 ? 61 THR AE N 1 61 . A ATOM 2960 C CA . THR AE 1 61 ? -26.586 -13.111 6.500 1.0 24.51 ? 61 THR AE CA 1 61 . A ATOM 2961 C C . THR AE 1 61 ? -27.502 -11.906 6.404 1.0 30.9 ? 61 THR AE C 1 61 . A ATOM 2962 O O . THR AE 1 61 ? -27.540 -11.126 7.314 1.0 32.25 ? 61 THR AE O 1 61 . A ATOM 2963 C CB . THR AE 1 61 ? -27.368 -14.227 7.087 1.0 24.78 ? 61 THR AE CB 1 61 . A ATOM 2964 O OG1 . THR AE 1 61 ? -26.678 -15.458 6.845 1.0 23.89 ? 61 THR AE OG1 1 61 . A ATOM 2965 C CG2 . THR AE 1 61 ? -28.815 -14.275 6.444 1.0 23.47 ? 61 THR AE CG2 1 61 . A ATOM 2966 N N . ASP AE 1 62 ? -28.166 -11.609 5.300 1.0 36.04 ? 62 ASP AE N 1 62 . A ATOM 2967 C CA . ASP AE 1 62 ? -28.838 -10.307 5.406 1.0 38.53 ? 62 ASP AE CA 1 62 . A ATOM 2968 C C . ASP AE 1 62 ? -29.999 -10.305 6.326 1.0 39.11 ? 62 ASP AE C 1 62 . A ATOM 2969 O O . ASP AE 1 62 ? -30.747 -11.262 6.321 1.0 39.74 ? 62 ASP AE O 1 62 . A ATOM 2970 C CB . ASP AE 1 62 ? -29.100 -9.519 4.091 1.0 38.06 ? 62 ASP AE CB 1 62 . A ATOM 2971 C CG . ASP AE 1 62 ? -27.951 -9.592 3.116 1.0 38.1 ? 62 ASP AE CG 1 62 . A ATOM 2972 O OD1 . ASP AE 1 62 ? -26.783 -9.466 3.521 1.0 37.54 ? 62 ASP AE OD1 1 62 . A ATOM 2973 O OD2 . ASP AE 1 62 ? -28.229 -9.841 1.929 1.0 39.69 ? 62 ASP AE OD2 1 62 . A ATOM 2974 N N . ASN AE 1 63 ? -30.137 -9.240 7.104 1.0 39.62 ? 63 ASN AE N 1 63 . A ATOM 2975 C CA . ASN AE 1 63 ? -31.272 -9.152 7.983 1.0 41.11 ? 63 ASN AE CA 1 63 . A ATOM 2976 C C . ASN AE 1 63 ? -31.373 -10.422 8.867 1.0 39.42 ? 63 ASN AE C 1 63 . A ATOM 2977 O O . ASN AE 1 63 ? -32.472 -10.873 9.257 1.0 37.16 ? 63 ASN AE O 1 63 . A ATOM 2978 C CB . ASN AE 1 63 ? -32.511 -9.047 7.116 1.0 45.56 ? 63 ASN AE CB 1 63 . A ATOM 2979 C CG . ASN AE 1 63 ? -32.569 -7.746 6.368 1.0 51.66 ? 63 ASN AE CG 1 63 . A ATOM 2980 O OD1 . ASN AE 1 63 ? -33.667 -7.202 6.122 1.0 54.75 ? 63 ASN AE OD1 1 63 . A ATOM 2981 N ND2 . ASN AE 1 63 ? -31.391 -7.194 6.009 1.0 53.52 ? 63 ASN AE ND2 1 63 . A ATOM 2982 N N . CYS AE 1 64 ? -30.228 -11.038 9.154 1.0 36.89 ? 64 CYS AE N 1 64 . A ATOM 2983 C CA . CYS AE 1 64 ? -30.335 -12.212 9.934 1.0 32.6 ? 64 CYS AE CA 1 64 . A ATOM 2984 C C . CYS AE 1 64 ? -30.600 -11.820 11.383 1.0 32.93 ? 64 CYS AE C 1 64 . A ATOM 2985 O O . CYS AE 1 64 ? -31.244 -12.582 12.094 1.0 33.23 ? 64 CYS AE O 1 64 . A ATOM 2986 C CB . CYS AE 1 64 ? -29.107 -13.024 9.751 1.0 28.49 ? 64 CYS AE CB 1 64 . A ATOM 2987 S SG . CYS AE 1 64 ? -27.787 -11.990 10.239 1.0 29.69 ? 64 CYS AE SG 1 64 . A ATOM 2988 N N . ASN AE 1 65 ? -30.195 -10.613 11.776 1.0 32.28 ? 65 ASN AE N 1 65 . A ATOM 2989 C CA . ASN AE 1 65 ? -30.393 -10.150 13.155 1.0 33.07 ? 65 ASN AE CA 1 65 . A ATOM 2990 C C . ASN AE 1 65 ? -31.842 -9.846 13.533 1.0 38.54 ? 65 ASN AE C 1 65 . A ATOM 2991 O O . ASN AE 1 65 ? -32.255 -8.704 13.721 1.0 37.87 ? 65 ASN AE O 1 65 . A ATOM 2992 C CB . ASN AE 1 65 ? -29.552 -8.934 13.444 1.0 27.29 ? 65 ASN AE CB 1 65 . A ATOM 2993 C CG . ASN AE 1 65 ? -29.931 -7.866 12.569 1.0 23.59 ? 65 ASN AE CG 1 65 . A ATOM 2994 O OD1 . ASN AE 1 65 ? -30.512 -8.171 11.543 1.0 22.84 ? 65 ASN AE OD1 1 65 . A ATOM 2995 N ND2 . ASN AE 1 65 ? -29.774 -6.642 12.975 1.0 22.29 ? 65 ASN AE ND2 1 65 . A ATOM 2996 N N . HIS AE 1 66 ? -32.618 -10.908 13.677 1.0 44.9 ? 66 HIS AE N 1 66 . A ATOM 2997 C CA . HIS AE 1 66 ? -34.010 -10.795 14.075 1.0 49.51 ? 66 HIS AE CA 1 66 . A ATOM 2998 C C . HIS AE 1 66 ? -34.304 -11.972 14.950 1.0 49.34 ? 66 HIS AE C 1 66 . A ATOM 2999 O O . HIS AE 1 66 ? -33.554 -12.967 14.726 1.0 47.93 ? 66 HIS AE O 1 66 . A ATOM 3000 C CB . HIS AE 1 66 ? -35.010 -10.819 12.864 1.0 54.59 ? 66 HIS AE CB 1 66 . A ATOM 3001 C CG . HIS AE 1 66 ? -35.254 -12.183 12.269 1.0 57.7 ? 66 HIS AE CG 1 66 . A ATOM 3002 N ND1 . HIS AE 1 66 ? -34.398 -12.746 11.342 1.0 59.64 ? 66 HIS AE ND1 1 66 . A ATOM 3003 C CD2 . HIS AE 1 66 ? -36.283 -13.056 12.414 1.0 57.66 ? 66 HIS AE CD2 1 66 . A ATOM 3004 C CE1 . HIS AE 1 66 ? -34.857 -13.937 10.986 1.0 59.91 ? 66 HIS AE CE1 1 66 . A ATOM 3005 N NE2 . HIS AE 1 66 ? -35.992 -14.155 11.631 1.0 58.88 ? 66 HIS AE NE2 1 66 . A ATOM 3006 O OXT . HIS AE 1 66 ? -35.284 -11.783 15.718 1.0 50.95 ? 66 HIS AE OXT 1 66 . A ATOM 3007 N N . ARG B 1 1 ? 27.711 22.528 34.342 1.0 28.42 ? 1 ARG B N 1 1 . B ATOM 3008 C CA . ARG B 1 1 ? 29.132 22.489 34.352 1.0 32.83 ? 1 ARG B CA 1 1 . B ATOM 3009 C C . ARG B 1 1 ? 29.414 23.814 33.787 1.0 36.65 ? 1 ARG B C 1 1 . B ATOM 3010 O O . ARG B 1 1 ? 28.699 24.778 34.064 1.0 41.47 ? 1 ARG B O 1 1 . B ATOM 3011 C CB . ARG B 1 1 ? 29.570 21.490 33.314 1.0 36.61 ? 1 ARG B CB 1 1 . B ATOM 3012 C CG . ARG B 1 1 ? 28.422 20.993 32.466 1.0 40.21 ? 1 ARG B CG 1 1 . B ATOM 3013 C CD . ARG B 1 1 ? 28.788 19.706 31.722 1.0 42.87 ? 1 ARG B CD 1 1 . B ATOM 3014 N NE . ARG B 1 1 ? 28.629 18.566 32.610 1.0 46.4 ? 1 ARG B NE 1 1 . B ATOM 3015 C CZ . ARG B 1 1 ? 29.541 18.220 33.530 1.0 48.43 ? 1 ARG B CZ 1 1 . B ATOM 3016 N NH1 . ARG B 1 1 ? 30.667 18.935 33.642 1.0 48.34 ? 1 ARG B NH1 1 1 . B ATOM 3017 N NH2 . ARG B 1 1 ? 29.337 17.175 34.339 1.0 49.01 ? 1 ARG B NH2 1 1 . B ATOM 3018 N N . THR B 1 2 ? 30.434 23.878 32.947 1.0 37.03 ? 2 THR B N 1 2 . B ATOM 3019 C CA . THR B 1 2 ? 30.742 25.096 32.240 1.0 35.87 ? 2 THR B CA 1 2 . B ATOM 3020 C C . THR B 1 2 ? 30.611 24.555 30.847 1.0 35.32 ? 2 THR B C 1 2 . B ATOM 3021 O O . THR B 1 2 ? 31.329 23.649 30.465 1.0 35.79 ? 2 THR B O 1 2 . B ATOM 3022 C CB . THR B 1 2 ? 32.186 25.480 32.300 1.0 37.99 ? 2 THR B CB 1 2 . B ATOM 3023 O OG1 . THR B 1 2 ? 32.605 25.658 33.654 1.0 39.65 ? 2 THR B OG1 1 2 . B ATOM 3024 C CG2 . THR B 1 2 ? 32.337 26.785 31.605 1.0 39.3 ? 2 THR B CG2 1 2 . B ATOM 3025 N N . CYS B 1 3 ? 29.708 25.091 30.052 1.0 34.38 ? 3 CYS B N 1 3 . B ATOM 3026 C CA . CYS B 1 3 ? 29.630 24.571 28.708 1.0 28.7 ? 3 CYS B CA 1 3 . B ATOM 3027 C C . CYS B 1 3 ? 29.928 25.700 27.805 1.0 25.41 ? 3 CYS B C 1 3 . B ATOM 3028 O O . CYS B 1 3 ? 29.623 26.818 28.162 1.0 22.04 ? 3 CYS B O 1 3 . B ATOM 3029 C CB . CYS B 1 3 ? 28.237 24.253 28.392 1.0 26.39 ? 3 CYS B CB 1 3 . B ATOM 3030 S SG . CYS B 1 3 ? 27.595 22.700 28.924 1.0 28.16 ? 3 CYS B SG 1 3 . B ATOM 3031 N N . LEU B 1 4 ? 30.387 25.355 26.585 1.0 27.65 ? 4 LEU B N 1 4 . B ATOM 3032 C CA . LEU B 1 4 ? 30.651 26.316 25.497 1.0 27.08 ? 4 LEU B CA 1 4 . B ATOM 3033 C C . LEU B 1 4 ? 29.397 27.015 25.030 1.0 24.06 ? 4 LEU B C 1 4 . B ATOM 3034 O O . LEU B 1 4 ? 28.356 26.438 25.101 1.0 21.79 ? 4 LEU B O 1 4 . B ATOM 3035 C CB . LEU B 1 4 ? 31.354 25.635 24.374 1.0 27.54 ? 4 LEU B CB 1 4 . B ATOM 3036 C CG . LEU B 1 4 ? 32.763 26.099 24.749 1.0 30.26 ? 4 LEU B CG 1 4 . B ATOM 3037 C CD1 . LEU B 1 4 ? 32.784 27.438 24.157 1.0 28.92 ? 4 LEU B CD1 1 4 . B ATOM 3038 C CD2 . LEU B 1 4 ? 33.014 26.260 26.284 1.0 30.78 ? 4 LEU B CD2 1 4 . B ATOM 3039 N N . ILE B 1 5 ? 29.477 28.275 24.651 1.0 26.01 ? 5 ILE B N 1 5 . B ATOM 3040 C CA . ILE B 1 5 ? 28.274 29.029 24.279 1.0 31.27 ? 5 ILE B CA 1 5 . B ATOM 3041 C C . ILE B 1 5 ? 28.203 29.592 22.849 1.0 34.09 ? 5 ILE B C 1 5 . B ATOM 3042 O O . ILE B 1 5 ? 29.089 30.285 22.364 1.0 31.79 ? 5 ILE B O 1 5 . B ATOM 3043 C CB . ILE B 1 5 ? 27.830 30.053 25.412 1.0 33.14 ? 5 ILE B CB 1 5 . B ATOM 3044 C CG1 . ILE B 1 5 ? 26.423 29.793 25.923 1.0 33.21 ? 5 ILE B CG1 1 5 . B ATOM 3045 C CG2 . ILE B 1 5 ? 28.198 31.494 25.163 1.0 34.55 ? 5 ILE B CG2 1 5 . B ATOM 3046 C CD1 . ILE B 1 5 ? 26.512 28.652 27.033 1.0 32.06 ? 5 ILE B CD1 1 5 . B ATOM 3047 N N . SER B 1 6 ? 27.117 29.258 22.179 1.0 39.64 ? 6 SER B N 1 6 . B ATOM 3048 C CA . SER B 1 6 ? 26.876 29.660 20.785 1.0 44.24 ? 6 SER B CA 1 6 . B ATOM 3049 C C . SER B 1 6 ? 27.499 30.794 19.972 1.0 46.33 ? 6 SER B C 1 6 . B ATOM 3050 O O . SER B 1 6 ? 28.170 30.523 18.959 1.0 51.01 ? 6 SER B O 1 6 . B ATOM 3051 C CB . SER B 1 6 ? 25.508 29.243 20.184 1.0 43.26 ? 6 SER B CB 1 6 . B ATOM 3052 O OG . SER B 1 6 ? 24.648 30.347 20.117 1.0 44.39 ? 6 SER B OG 1 6 . B ATOM 3053 N N . PRO B 1 7 ? 27.181 32.047 20.296 1.0 39.54 ? 7 PRO B N 1 7 . B ATOM 3054 C CA . PRO B 1 7 ? 27.632 33.170 19.431 1.0 34.1 ? 7 PRO B CA 1 7 . B ATOM 3055 C C . PRO B 1 7 ? 29.136 33.092 19.462 1.0 33.39 ? 7 PRO B C 1 7 . B ATOM 3056 O O . PRO B 1 7 ? 29.785 32.606 18.526 1.0 31.86 ? 7 PRO B O 1 7 . B ATOM 3057 C CB . PRO B 1 7 ? 27.022 34.414 20.057 1.0 31.46 ? 7 PRO B CB 1 7 . B ATOM 3058 C CG . PRO B 1 7 ? 25.838 33.819 20.926 1.0 34.47 ? 7 PRO B CG 1 7 . B ATOM 3059 C CD . PRO B 1 7 ? 26.371 32.478 21.447 1.0 36.16 ? 7 PRO B CD 1 7 . B ATOM 3060 N N . SER B 1 8 ? 29.683 33.309 20.645 1.0 33.55 ? 8 SER B N 1 8 . B ATOM 3061 C CA . SER B 1 8 ? 31.095 33.247 20.831 1.0 33.88 ? 8 SER B CA 1 8 . B ATOM 3062 C C . SER B 1 8 ? 31.844 32.023 21.359 1.0 36.48 ? 8 SER B C 1 8 . B ATOM 3063 O O . SER B 1 8 ? 33.106 31.979 21.353 1.0 38.95 ? 8 SER B O 1 8 . B ATOM 3064 C CB . SER B 1 8 ? 31.484 34.337 21.745 1.0 34.58 ? 8 SER B CB 1 8 . B ATOM 3065 O OG . SER B 1 8 ? 32.909 34.183 21.841 1.0 36.6 ? 8 SER B OG 1 8 . B ATOM 3066 N N . SER B 1 9 ? 31.131 31.048 21.883 1.0 36.11 ? 9 SER B N 1 9 . B ATOM 3067 C CA . SER B 1 9 ? 31.830 29.915 22.407 1.0 40.07 ? 9 SER B CA 1 9 . B ATOM 3068 C C . SER B 1 9 ? 32.786 30.274 23.518 1.0 40.49 ? 9 SER B C 1 9 . B ATOM 3069 O O . SER B 1 9 ? 33.945 29.875 23.502 1.0 41.75 ? 9 SER B O 1 9 . B ATOM 3070 C CB . SER B 1 9 ? 32.571 29.257 21.282 1.0 44.18 ? 9 SER B CB 1 9 . B ATOM 3071 O OG . SER B 1 9 ? 31.793 29.536 20.121 1.0 48.67 ? 9 SER B OG 1 9 . B ATOM 3072 N N . THR B 1 10 ? 32.281 30.912 24.547 1.0 39.04 ? 10 THR B N 1 10 . B ATOM 3073 C CA . THR B 1 10 ? 33.119 31.125 25.687 1.0 37.32 ? 10 THR B CA 1 10 . B ATOM 3074 C C . THR B 1 10 ? 32.373 30.224 26.606 1.0 32.97 ? 10 THR B C 1 10 . B ATOM 3075 O O . THR B 1 10 ? 31.194 30.096 26.502 1.0 30.56 ? 10 THR B O 1 10 . B ATOM 3076 C CB . THR B 1 10 ? 32.871 32.469 26.277 1.0 39.43 ? 10 THR B CB 1 10 . B ATOM 3077 O OG1 . THR B 1 10 ? 31.892 33.135 25.455 1.0 39.71 ? 10 THR B OG1 1 10 . B ATOM 3078 C CG2 . THR B 1 10 ? 34.225 33.282 26.374 1.0 40.44 ? 10 THR B CG2 1 10 . B ATOM 3079 N N . PRO B 1 11 ? 33.085 29.597 27.498 1.0 33.52 ? 11 PRO B N 1 11 . B ATOM 3080 C CA . PRO B 1 11 ? 32.519 28.779 28.553 1.0 33.27 ? 11 PRO B CA 1 11 . B ATOM 3081 C C . PRO B 1 11 ? 31.600 29.607 29.517 1.0 34.12 ? 11 PRO B C 1 11 . B ATOM 3082 O O . PRO B 1 11 ? 31.818 30.793 29.746 1.0 32.92 ? 11 PRO B O 1 11 . B ATOM 3083 C CB . PRO B 1 11 ? 33.769 28.364 29.326 1.0 33.21 ? 11 PRO B CB 1 11 . B ATOM 3084 C CG . PRO B 1 11 ? 35.036 29.169 28.642 1.0 33.66 ? 11 PRO B CG 1 11 . B ATOM 3085 C CD . PRO B 1 11 ? 34.374 30.223 27.856 1.0 34.6 ? 11 PRO B CD 1 11 . B ATOM 3086 N N . GLN B 1 12 ? 30.578 28.979 30.101 1.0 35.62 ? 12 GLN B N 1 12 . B ATOM 3087 C CA . GLN B 1 12 ? 29.677 29.653 31.027 1.0 36.01 ? 12 GLN B CA 1 12 . B ATOM 3088 C C . GLN B 1 12 ? 29.085 28.485 31.798 1.0 36.01 ? 12 GLN B C 1 12 . B ATOM 3089 O O . GLN B 1 12 ? 28.687 27.461 31.191 1.0 34.81 ? 12 GLN B O 1 12 . B ATOM 3090 C CB . GLN B 1 12 ? 28.588 30.461 30.322 1.0 38.01 ? 12 GLN B CB 1 12 . B ATOM 3091 C CG . GLN B 1 12 ? 27.625 31.262 31.243 1.0 40.97 ? 12 GLN B CG 1 12 . B ATOM 3092 C CD . GLN B 1 12 ? 28.185 32.618 31.769 1.0 42.0 ? 12 GLN B CD 1 12 . B ATOM 3093 O OE1 . GLN B 1 12 ? 29.131 33.186 31.226 1.0 43.62 ? 12 GLN B OE1 1 12 . B ATOM 3094 N NE2 . GLN B 1 12 ? 27.579 33.147 32.827 1.0 40.74 ? 12 GLN B NE2 1 12 . B ATOM 3095 N N . THR B 1 13 ? 29.102 28.619 33.142 1.0 34.8 ? 13 THR B N 1 13 . B ATOM 3096 C CA . THR B 1 13 ? 28.614 27.566 34.013 1.0 32.34 ? 13 THR B CA 1 13 . B ATOM 3097 C C . THR B 1 13 ? 27.144 27.454 33.934 1.0 24.81 ? 13 THR B C 1 13 . B ATOM 3098 O O . THR B 1 13 ? 26.386 28.453 34.097 1.0 22.61 ? 13 THR B O 1 13 . B ATOM 3099 C CB . THR B 1 13 ? 29.024 27.705 35.500 1.0 39.5 ? 13 THR B CB 1 13 . B ATOM 3100 O OG1 . THR B 1 13 ? 27.878 27.425 36.348 1.0 41.77 ? 13 THR B OG1 1 13 . B ATOM 3101 C CG2 . THR B 1 13 ? 29.667 29.113 35.792 1.0 39.7 ? 13 THR B CG2 1 13 . B ATOM 3102 N N . CYS B 1 14 ? 26.733 26.232 33.658 1.0 21.65 ? 14 CYS B N 1 14 . B ATOM 3103 C CA . CYS B 1 14 ? 25.338 26.030 33.546 1.0 26.99 ? 14 CYS B CA 1 14 . B ATOM 3104 C C . CYS B 1 14 ? 24.618 26.449 34.818 1.0 34.68 ? 14 CYS B C 1 14 . B ATOM 3105 O O . CYS B 1 14 ? 25.159 26.418 35.931 1.0 36.38 ? 14 CYS B O 1 14 . B ATOM 3106 C CB . CYS B 1 14 ? 25.060 24.606 33.213 1.0 28.89 ? 14 CYS B CB 1 14 . B ATOM 3107 S SG . CYS B 1 14 ? 25.777 24.041 31.602 1.0 32.27 ? 14 CYS B SG 1 14 . B ATOM 3108 N N . PRO B 1 15 ? 23.412 26.940 34.624 1.0 39.23 ? 15 PRO B N 1 15 . B ATOM 3109 C CA . PRO B 1 15 ? 22.597 27.322 35.713 1.0 41.76 ? 15 PRO B CA 1 15 . B ATOM 3110 C C . PRO B 1 15 ? 22.444 26.008 36.396 1.0 44.19 ? 15 PRO B C 1 15 . B ATOM 3111 O O . PRO B 1 15 ? 22.194 24.983 35.752 1.0 42.16 ? 15 PRO B O 1 15 . B ATOM 3112 C CB . PRO B 1 15 ? 21.346 27.780 35.002 1.0 41.88 ? 15 PRO B CB 1 15 . B ATOM 3113 C CG . PRO B 1 15 ? 21.981 28.516 33.762 1.0 40.85 ? 15 PRO B CG 1 15 . B ATOM 3114 C CD . PRO B 1 15 ? 23.429 28.046 33.665 1.0 40.02 ? 15 PRO B CD 1 15 . B ATOM 3115 N N . ASN B 1 16 ? 22.763 26.075 37.698 1.0 47.52 ? 16 ASN B N 1 16 . B ATOM 3116 C CA . ASN B 1 16 ? 22.719 24.960 38.629 1.0 48.19 ? 16 ASN B CA 1 16 . B ATOM 3117 C C . ASN B 1 16 ? 21.601 23.968 38.262 1.0 48.66 ? 16 ASN B C 1 16 . B ATOM 3118 O O . ASN B 1 16 ? 20.445 24.373 38.209 1.0 48.17 ? 16 ASN B O 1 16 . B ATOM 3119 C CB . ASN B 1 16 ? 22.500 25.509 40.041 1.0 46.92 ? 16 ASN B CB 1 16 . B ATOM 3120 C CG . ASN B 1 16 ? 21.571 24.624 40.858 1.0 45.5 ? 16 ASN B CG 1 16 . B ATOM 3121 O OD1 . ASN B 1 16 ? 21.894 23.476 41.254 1.0 43.78 ? 16 ASN B OD1 1 16 . B ATOM 3122 N ND2 . ASN B 1 16 ? 20.392 25.144 41.112 1.0 46.37 ? 16 ASN B ND2 1 16 . B ATOM 3123 N N . GLY B 1 17 ? 21.951 22.708 37.980 1.0 49.14 ? 17 GLY B N 1 17 . B ATOM 3124 C CA . GLY B 1 17 ? 20.947 21.747 37.582 1.0 50.07 ? 17 GLY B CA 1 17 . B ATOM 3125 C C . GLY B 1 17 ? 21.020 21.434 36.058 1.0 51.9 ? 17 GLY B C 1 17 . B ATOM 3126 O O . GLY B 1 17 ? 20.320 20.503 35.596 1.0 53.86 ? 17 GLY B O 1 17 . B ATOM 3127 N N . GLN B 1 18 ? 21.811 22.176 35.259 1.0 49.2 ? 18 GLN B N 1 18 . B ATOM 3128 C CA . GLN B 1 18 ? 21.904 21.883 33.781 1.0 46.6 ? 18 GLN B CA 1 18 . B ATOM 3129 C C . GLN B 1 18 ? 23.307 21.349 33.568 1.0 43.5 ? 18 GLN B C 1 18 . B ATOM 3130 O O . GLN B 1 18 ? 24.247 22.090 33.640 1.0 41.54 ? 18 GLN B O 1 18 . B ATOM 3131 C CB . GLN B 1 18 ? 21.795 23.157 32.951 1.0 46.67 ? 18 GLN B CB 1 18 . B ATOM 3132 C CG . GLN B 1 18 ? 20.444 23.431 32.279 1.0 45.89 ? 18 GLN B CG 1 18 . B ATOM 3133 C CD . GLN B 1 18 ? 20.115 24.916 32.396 1.0 45.36 ? 18 GLN B CD 1 18 . B ATOM 3134 O OE1 . GLN B 1 18 ? 21.031 25.740 32.448 1.0 45.04 ? 18 GLN B OE1 1 18 . B ATOM 3135 N NE2 . GLN B 1 18 ? 18.817 25.230 32.482 1.0 44.05 ? 18 GLN B NE2 1 18 . B ATOM 3136 N N . ASP B 1 19 ? 23.468 20.060 33.340 1.0 41.59 ? 19 ASP B N 1 19 . B ATOM 3137 C CA . ASP B 1 19 ? 24.787 19.421 33.306 1.0 41.54 ? 19 ASP B CA 1 19 . B ATOM 3138 C C . ASP B 1 19 ? 25.340 18.930 31.990 1.0 34.69 ? 19 ASP B C 1 19 . B ATOM 3139 O O . ASP B 1 19 ? 26.410 18.366 31.896 1.0 31.84 ? 19 ASP B O 1 19 . B ATOM 3140 C CB . ASP B 1 19 ? 24.581 18.152 34.105 1.0 48.18 ? 19 ASP B CB 1 19 . B ATOM 3141 C CG . ASP B 1 19 ? 23.174 17.552 33.858 1.0 54.38 ? 19 ASP B CG 1 19 . B ATOM 3142 O OD1 . ASP B 1 19 ? 22.294 18.182 33.155 1.0 54.23 ? 19 ASP B OD1 1 19 . B ATOM 3143 O OD2 . ASP B 1 19 ? 22.930 16.430 34.393 1.0 57.63 ? 19 ASP B OD2 1 19 . B ATOM 3144 N N . ILE B 1 20 ? 24.532 19.030 30.984 1.0 32.49 ? 20 ILE B N 1 20 . B ATOM 3145 C CA . ILE B 1 20 ? 24.969 18.541 29.760 1.0 32.55 ? 20 ILE B CA 1 20 . B ATOM 3146 C C . ILE B 1 20 ? 24.973 19.721 28.879 1.0 34.82 ? 20 ILE B C 1 20 . B ATOM 3147 O O . ILE B 1 20 ? 24.146 20.610 28.953 1.0 34.62 ? 20 ILE B O 1 20 . B ATOM 3148 C CB . ILE B 1 20 ? 23.981 17.608 29.322 1.0 31.72 ? 20 ILE B CB 1 20 . B ATOM 3149 C CG1 . ILE B 1 20 ? 23.736 17.761 27.851 1.0 30.1 ? 20 ILE B CG1 1 20 . B ATOM 3150 C CG2 . ILE B 1 20 ? 22.760 17.854 30.082 1.0 32.22 ? 20 ILE B CG2 1 20 . B ATOM 3151 C CD1 . ILE B 1 20 ? 23.343 16.351 27.257 1.0 28.09 ? 20 ILE B CD1 1 20 . B ATOM 3152 N N . CYS B 1 21 ? 26.029 19.738 28.100 1.0 37.35 ? 21 CYS B N 1 21 . B ATOM 3153 C CA . CYS B 1 21 ? 26.305 20.733 27.071 1.0 36.02 ? 21 CYS B CA 1 21 . B ATOM 3154 C C . CYS B 1 21 ? 25.845 20.202 25.707 1.0 35.35 ? 21 CYS B C 1 21 . B ATOM 3155 O O . CYS B 1 21 ? 25.946 19.009 25.462 1.0 36.73 ? 21 CYS B O 1 21 . B ATOM 3156 C CB . CYS B 1 21 ? 27.796 20.622 26.915 1.0 32.81 ? 21 CYS B CB 1 21 . B ATOM 3157 S SG . CYS B 1 21 ? 28.699 21.098 28.382 1.0 28.97 ? 21 CYS B SG 1 21 . B ATOM 3158 N N . PHE B 1 22 ? 25.468 21.031 24.754 1.0 33.91 ? 22 PHE B N 1 22 . B ATOM 3159 C CA . PHE B 1 22 ? 25.200 20.440 23.424 1.0 32.26 ? 22 PHE B CA 1 22 . B ATOM 3160 C C . PHE B 1 22 ? 25.707 21.406 22.392 1.0 30.87 ? 22 PHE B C 1 22 . B ATOM 3161 O O . PHE B 1 22 ? 25.820 22.628 22.632 1.0 29.37 ? 22 PHE B O 1 22 . B ATOM 3162 C CB . PHE B 1 22 ? 23.751 20.377 23.097 1.0 32.47 ? 22 PHE B CB 1 22 . B ATOM 3163 C CG . PHE B 1 22 ? 23.094 21.743 23.139 1.0 35.07 ? 22 PHE B CG 1 22 . B ATOM 3164 C CD1 . PHE B 1 22 ? 22.910 22.400 24.349 1.0 34.95 ? 22 PHE B CD1 1 22 . B ATOM 3165 C CD2 . PHE B 1 22 ? 22.618 22.345 22.001 1.0 36.92 ? 22 PHE B CD2 1 22 . B ATOM 3166 C CE1 . PHE B 1 22 ? 22.276 23.587 24.431 1.0 34.59 ? 22 PHE B CE1 1 22 . B ATOM 3167 C CE2 . PHE B 1 22 ? 21.987 23.562 22.095 1.0 36.52 ? 22 PHE B CE2 1 22 . B ATOM 3168 C CZ . PHE B 1 22 ? 21.846 24.176 23.317 1.0 35.85 ? 22 PHE B CZ 1 22 . B ATOM 3169 N N . LEU B 1 23 ? 25.905 20.834 21.213 1.0 30.74 ? 23 LEU B N 1 23 . B ATOM 3170 C CA . LEU B 1 23 ? 26.264 21.562 19.966 1.0 27.29 ? 23 LEU B CA 1 23 . B ATOM 3171 C C . LEU B 1 23 ? 25.238 21.092 18.940 1.0 25.52 ? 23 LEU B C 1 23 . B ATOM 3172 O O . LEU B 1 23 ? 25.093 19.877 18.670 1.0 22.6 ? 23 LEU B O 1 23 . B ATOM 3173 C CB . LEU B 1 23 ? 27.668 21.179 19.430 1.0 25.56 ? 23 LEU B CB 1 23 . B ATOM 3174 C CG . LEU B 1 23 ? 28.369 22.180 18.500 1.0 23.85 ? 23 LEU B CG 1 23 . B ATOM 3175 C CD1 . LEU B 1 23 ? 29.716 21.603 18.376 1.0 22.98 ? 23 LEU B CD1 1 23 . B ATOM 3176 C CD2 . LEU B 1 23 ? 27.712 22.254 17.111 1.0 24.3 ? 23 LEU B CD2 1 23 . B ATOM 3177 N N . LYS B 1 24 ? 24.500 22.051 18.397 1.0 27.01 ? 24 LYS B N 1 24 . B ATOM 3178 C CA . LYS B 1 24 ? 23.551 21.784 17.334 1.0 26.28 ? 24 LYS B CA 1 24 . B ATOM 3179 C C . LYS B 1 24 ? 24.041 22.527 16.039 1.0 26.95 ? 24 LYS B C 1 24 . B ATOM 3180 O O . LYS B 1 24 ? 24.851 23.497 16.039 1.0 26.03 ? 24 LYS B O 1 24 . B ATOM 3181 C CB . LYS B 1 24 ? 22.177 22.190 17.792 1.0 26.95 ? 24 LYS B CB 1 24 . B ATOM 3182 C CG . LYS B 1 24 ? 21.106 21.944 16.726 1.0 30.49 ? 24 LYS B CG 1 24 . B ATOM 3183 C CD . LYS B 1 24 ? 19.694 22.552 17.064 1.0 31.66 ? 24 LYS B CD 1 24 . B ATOM 3184 C CE . LYS B 1 24 ? 19.433 22.627 18.648 1.0 32.47 ? 24 LYS B CE 1 24 . B ATOM 3185 N NZ . LYS B 1 24 ? 17.987 22.906 19.131 1.0 30.96 ? 24 LYS B NZ 1 24 . B ATOM 3186 N N . ALA B 1 25 ? 23.592 22.029 14.905 1.0 27.73 ? 25 ALA B N 1 25 . B ATOM 3187 C CA . ALA B 1 25 ? 23.973 22.596 13.594 1.0 24.88 ? 25 ALA B CA 1 25 . B ATOM 3188 C C . ALA B 1 25 ? 22.950 22.116 12.657 1.0 24.8 ? 25 ALA B C 1 25 . B ATOM 3189 O O . ALA B 1 25 ? 22.829 20.910 12.484 1.0 22.94 ? 25 ALA B O 1 25 . B ATOM 3190 C CB . ALA B 1 25 ? 25.280 22.050 13.094 1.0 21.86 ? 25 ALA B CB 1 25 . B ATOM 3191 N N . GLN B 1 26 ? 22.222 23.053 12.050 1.0 26.57 ? 26 GLN B N 1 26 . B ATOM 3192 C CA . GLN B 1 26 ? 21.274 22.751 10.998 1.0 26.91 ? 26 GLN B CA 1 26 . B ATOM 3193 C C . GLN B 1 26 ? 21.597 23.684 9.830 1.0 29.25 ? 26 GLN B C 1 26 . B ATOM 3194 O O . GLN B 1 26 ? 22.330 24.680 9.992 1.0 32.63 ? 26 GLN B O 1 26 . B ATOM 3195 C CB . GLN B 1 26 ? 19.825 22.864 11.431 1.0 26.82 ? 26 GLN B CB 1 26 . B ATOM 3196 C CG . GLN B 1 26 ? 19.384 24.014 12.366 1.0 29.13 ? 26 GLN B CG 1 26 . B ATOM 3197 C CD . GLN B 1 26 ? 17.858 23.950 12.666 1.0 32.93 ? 26 GLN B CD 1 26 . B ATOM 3198 O OE1 . GLN B 1 26 ? 17.118 23.122 12.093 1.0 33.78 ? 26 GLN B OE1 1 26 . B ATOM 3199 N NE2 . GLN B 1 26 ? 17.387 24.812 13.576 1.0 35.78 ? 26 GLN B NE2 1 26 . B ATOM 3200 N N . CYS B 1 27 ? 21.060 23.426 8.651 1.0 25.17 ? 27 CYS B N 1 27 . B ATOM 3201 C CA . CYS B 1 27 ? 21.330 24.380 7.577 1.0 24.13 ? 27 CYS B CA 1 27 . B ATOM 3202 C C . CYS B 1 27 ? 20.136 25.275 7.403 1.0 20.33 ? 27 CYS B C 1 27 . B ATOM 3203 O O . CYS B 1 27 ? 19.021 24.829 7.629 1.0 17.91 ? 27 CYS B O 1 27 . B ATOM 3204 C CB . CYS B 1 27 ? 21.409 23.606 6.253 1.0 26.62 ? 27 CYS B CB 1 27 . B ATOM 3205 S SG . CYS B 1 27 ? 23.053 23.017 5.927 1.0 29.35 ? 27 CYS B SG 1 27 . B ATOM 3206 N N . ASP B 1 28 ? 20.342 26.483 6.895 1.0 20.35 ? 28 ASP B N 1 28 . B ATOM 3207 C CA . ASP B 1 28 ? 19.206 27.311 6.502 1.0 25.53 ? 28 ASP B CA 1 28 . B ATOM 3208 C C . ASP B 1 28 ? 19.612 27.641 5.053 1.0 33.21 ? 28 ASP B C 1 28 . B ATOM 3209 O O . ASP B 1 28 ? 20.607 27.106 4.553 1.0 33.98 ? 28 ASP B O 1 28 . B ATOM 3210 C CB . ASP B 1 28 ? 19.185 28.610 7.309 1.0 23.35 ? 28 ASP B CB 1 28 . B ATOM 3211 C CG . ASP B 1 28 ? 20.448 29.276 7.253 1.0 22.15 ? 28 ASP B CG 1 28 . B ATOM 3212 O OD1 . ASP B 1 28 ? 21.473 28.575 7.075 1.0 20.64 ? 28 ASP B OD1 1 28 . B ATOM 3213 O OD2 . ASP B 1 28 ? 20.403 30.478 7.375 1.0 25.21 ? 28 ASP B OD2 1 28 . B ATOM 3214 N N . LYS B 1 29 ? 18.909 28.570 4.392 1.0 39.79 ? 29 LYS B N 1 29 . B ATOM 3215 C CA . LYS B 1 29 ? 19.189 29.010 2.991 1.0 41.3 ? 29 LYS B CA 1 29 . B ATOM 3216 C C . LYS B 1 29 ? 20.628 29.470 2.828 1.0 46.49 ? 29 LYS B C 1 29 . B ATOM 3217 O O . LYS B 1 29 ? 21.263 29.193 1.815 1.0 46.9 ? 29 LYS B O 1 29 . B ATOM 3218 C CB . LYS B 1 29 ? 18.356 30.249 2.599 1.0 40.13 ? 29 LYS B CB 1 29 . B ATOM 3219 C CG . LYS B 1 29 ? 16.880 30.101 2.079 1.0 37.1 ? 29 LYS B CG 1 29 . B ATOM 3220 C CD . LYS B 1 29 ? 16.379 28.658 1.993 1.0 35.35 ? 29 LYS B CD 1 29 . B ATOM 3221 C CE . LYS B 1 29 ? 15.073 28.656 1.204 1.0 35.42 ? 29 LYS B CE 1 29 . B ATOM 3222 N NZ . LYS B 1 29 ? 14.109 27.506 1.506 1.0 36.93 ? 29 LYS B NZ 1 29 . B ATOM 3223 N N . PHE B 1 30 ? 21.143 30.259 3.762 1.0 51.25 ? 30 PHE B N 1 30 . B ATOM 3224 C CA . PHE B 1 30 ? 22.516 30.667 3.528 1.0 54.97 ? 30 PHE B CA 1 30 . B ATOM 3225 C C . PHE B 1 30 ? 23.377 29.512 3.963 1.0 52.42 ? 30 PHE B C 1 30 . B ATOM 3226 O O . PHE B 1 30 ? 24.513 29.813 4.403 1.0 54.44 ? 30 PHE B O 1 30 . B ATOM 3227 C CB . PHE B 1 30 ? 23.047 31.880 4.324 1.0 62.24 ? 30 PHE B CB 1 30 . B ATOM 3228 C CG . PHE B 1 30 ? 22.341 33.208 4.057 1.0 69.92 ? 30 PHE B CG 1 30 . B ATOM 3229 C CD1 . PHE B 1 30 ? 22.329 33.844 2.788 1.0 72.81 ? 30 PHE B CD1 1 30 . B ATOM 3230 C CD2 . PHE B 1 30 ? 21.805 33.916 5.118 1.0 72.19 ? 30 PHE B CD2 1 30 . B ATOM 3231 C CE1 . PHE B 1 30 ? 21.638 35.104 2.593 1.0 72.98 ? 30 PHE B CE1 1 30 . B ATOM 3232 C CE2 . PHE B 1 30 ? 21.184 35.188 4.928 1.0 72.66 ? 30 PHE B CE2 1 30 . B ATOM 3233 C CZ . PHE B 1 30 ? 21.108 35.787 3.668 1.0 72.57 ? 30 PHE B CZ 1 30 . B ATOM 3234 N N . CYS B 1 31 ? 22.913 28.245 3.882 1.0 46.81 ? 31 CYS B N 1 31 . B ATOM 3235 C CA . CYS B 1 31 ? 23.812 27.144 4.302 1.0 44.72 ? 31 CYS B CA 1 31 . B ATOM 3236 C C . CYS B 1 31 ? 25.052 26.905 3.401 1.0 49.87 ? 31 CYS B C 1 31 . B ATOM 3237 O O . CYS B 1 31 ? 25.789 25.911 3.612 1.0 50.1 ? 31 CYS B O 1 31 . B ATOM 3238 C CB . CYS B 1 31 ? 23.113 25.811 4.698 1.0 38.46 ? 31 CYS B CB 1 31 . B ATOM 3239 S SG . CYS B 1 31 ? 24.112 24.735 5.832 1.0 32.08 ? 31 CYS B SG 1 31 . B ATOM 3240 N N . SER B 1 32 ? 25.225 27.808 2.399 1.0 52.97 ? 32 SER B N 1 32 . B ATOM 3241 C CA . SER B 1 32 ? 26.260 27.855 1.329 1.0 52.26 ? 32 SER B CA 1 32 . B ATOM 3242 C C . SER B 1 32 ? 27.011 29.193 1.265 1.0 51.54 ? 32 SER B C 1 32 . B ATOM 3243 O O . SER B 1 32 ? 28.009 29.310 0.588 1.0 52.8 ? 32 SER B O 1 32 . B ATOM 3244 C CB . SER B 1 32 ? 25.585 27.683 -0.028 1.0 54.38 ? 32 SER B CB 1 32 . B ATOM 3245 O OG . SER B 1 32 ? 25.180 28.936 -0.585 1.0 55.31 ? 32 SER B OG 1 32 . B ATOM 3246 N N . ILE B 1 33 ? 26.507 30.204 1.949 1.0 50.75 ? 33 ILE B N 1 33 . B ATOM 3247 C CA . ILE B 1 33 ? 27.114 31.540 2.009 1.0 50.74 ? 33 ILE B CA 1 33 . B ATOM 3248 C C . ILE B 1 33 ? 27.834 31.598 3.371 1.0 52.01 ? 33 ILE B C 1 33 . B ATOM 3249 O O . ILE B 1 33 ? 28.806 32.369 3.562 1.0 51.97 ? 33 ILE B O 1 33 . B ATOM 3250 C CB . ILE B 1 33 ? 25.971 32.658 1.911 1.0 49.29 ? 33 ILE B CB 1 33 . B ATOM 3251 C CG1 . ILE B 1 33 ? 25.579 32.863 0.449 1.0 48.72 ? 33 ILE B CG1 1 33 . B ATOM 3252 C CG2 . ILE B 1 33 ? 26.262 33.984 2.677 1.0 47.84 ? 33 ILE B CG2 1 33 . B ATOM 3253 C CD1 . ILE B 1 33 ? 25.828 31.629 -0.443 1.0 47.79 ? 33 ILE B CD1 1 33 . B ATOM 3254 N N . ARG B 1 34 ? 27.365 30.751 4.303 1.0 51.46 ? 34 ARG B N 1 34 . B ATOM 3255 C CA . ARG B 1 34 ? 27.933 30.719 5.650 1.0 49.65 ? 34 ARG B CA 1 34 . B ATOM 3256 C C . ARG B 1 34 ? 28.117 29.337 6.282 1.0 44.6 ? 34 ARG B C 1 34 . B ATOM 3257 O O . ARG B 1 34 ? 29.066 29.069 7.047 1.0 47.26 ? 34 ARG B O 1 34 . B ATOM 3258 C CB . ARG B 1 34 ? 27.061 31.610 6.577 1.0 50.94 ? 34 ARG B CB 1 34 . B ATOM 3259 C CG . ARG B 1 34 ? 26.943 31.151 8.067 1.0 48.19 ? 34 ARG B CG 1 34 . B ATOM 3260 C CD . ARG B 1 34 ? 25.537 30.760 8.400 1.0 44.2 ? 34 ARG B CD 1 34 . B ATOM 3261 N NE . ARG B 1 34 ? 24.668 31.898 8.261 1.0 43.79 ? 34 ARG B NE 1 34 . B ATOM 3262 C CZ . ARG B 1 34 ? 23.347 31.787 8.187 1.0 47.43 ? 34 ARG B CZ 1 34 . B ATOM 3263 N NH1 . ARG B 1 34 ? 22.743 30.599 8.216 1.0 49.24 ? 34 ARG B NH1 1 34 . B ATOM 3264 N NH2 . ARG B 1 34 ? 22.604 32.861 8.033 1.0 49.07 ? 34 ARG B NH2 1 34 . B ATOM 3265 N N . GLY B 1 35 ? 27.195 28.454 6.005 1.0 36.88 ? 35 GLY B N 1 35 . B ATOM 3266 C CA . GLY B 1 35 ? 27.344 27.201 6.663 1.0 33.47 ? 35 GLY B CA 1 35 . B ATOM 3267 C C . GLY B 1 35 ? 26.140 27.137 7.552 1.0 31.07 ? 35 GLY B C 1 35 . B ATOM 3268 O O . GLY B 1 35 ? 25.244 28.004 7.605 1.0 31.31 ? 35 GLY B O 1 35 . B ATOM 3269 N N . PRO B 1 36 ? 26.063 26.043 8.236 1.0 30.07 ? 36 PRO B N 1 36 . B ATOM 3270 C CA . PRO B 1 36 ? 24.936 25.865 9.127 1.0 31.28 ? 36 PRO B CA 1 36 . B ATOM 3271 C C . PRO B 1 36 ? 24.999 26.798 10.323 1.0 32.29 ? 36 PRO B C 1 36 . B ATOM 3272 O O . PRO B 1 36 ? 26.096 27.313 10.778 1.0 31.8 ? 36 PRO B O 1 36 . B ATOM 3273 C CB . PRO B 1 36 ? 25.058 24.398 9.581 1.0 32.1 ? 36 PRO B CB 1 36 . B ATOM 3274 C CG . PRO B 1 36 ? 26.555 24.028 9.373 1.0 31.65 ? 36 PRO B CG 1 36 . B ATOM 3275 C CD . PRO B 1 36 ? 27.232 25.240 8.590 1.0 30.57 ? 36 PRO B CD 1 36 . B ATOM 3276 N N . VAL B 1 37 ? 23.786 27.001 10.821 1.0 32.92 ? 37 VAL B N 1 37 . B ATOM 3277 C CA . VAL B 1 37 ? 23.551 27.758 12.039 1.0 34.18 ? 37 VAL B CA 1 37 . B ATOM 3278 C C . VAL B 1 37 ? 24.066 26.864 13.197 1.0 33.24 ? 37 VAL B C 1 37 . B ATOM 3279 O O . VAL B 1 37 ? 23.633 25.723 13.388 1.0 32.06 ? 37 VAL B O 1 37 . B ATOM 3280 C CB . VAL B 1 37 ? 22.065 27.891 12.236 1.0 36.87 ? 37 VAL B CB 1 37 . B ATOM 3281 C CG1 . VAL B 1 37 ? 21.785 29.024 13.145 1.0 38.72 ? 37 VAL B CG1 1 37 . B ATOM 3282 C CG2 . VAL B 1 37 ? 21.346 27.998 10.901 1.0 36.04 ? 37 VAL B CG2 1 37 . B ATOM 3283 N N . ILE B 1 38 ? 25.025 27.363 13.953 1.0 34.12 ? 38 ILE B N 1 38 . B ATOM 3284 C CA . ILE B 1 38 ? 25.553 26.575 15.050 1.0 34.84 ? 38 ILE B CA 1 38 . B ATOM 3285 C C . ILE B 1 38 ? 25.175 27.206 16.387 1.0 35.76 ? 38 ILE B C 1 38 . B ATOM 3286 O O . ILE B 1 38 ? 25.501 28.371 16.674 1.0 36.5 ? 38 ILE B O 1 38 . B ATOM 3287 C CB . ILE B 1 38 ? 27.019 26.439 14.918 1.0 33.36 ? 38 ILE B CB 1 38 . B ATOM 3288 C CG1 . ILE B 1 38 ? 27.287 25.216 14.096 1.0 32.58 ? 38 ILE B CG1 1 38 . B ATOM 3289 C CG2 . ILE B 1 38 ? 27.735 26.425 16.251 1.0 34.36 ? 38 ILE B CG2 1 38 . B ATOM 3290 C CD1 . ILE B 1 38 ? 28.626 25.324 13.515 1.0 31.72 ? 38 ILE B CD1 1 38 . B ATOM 3291 N N . GLU B 1 39 ? 24.437 26.421 17.160 1.0 34.55 ? 39 GLU B N 1 39 . B ATOM 3292 C CA . GLU B 1 39 ? 23.977 26.820 18.488 1.0 32.88 ? 39 GLU B CA 1 39 . B ATOM 3293 C C . GLU B 1 39 ? 24.573 25.835 19.588 1.0 30.32 ? 39 GLU B C 1 39 . B ATOM 3294 O O . GLU B 1 39 ? 24.425 24.605 19.494 1.0 29.11 ? 39 GLU B O 1 39 . B ATOM 3295 C CB . GLU B 1 39 ? 22.461 26.813 18.448 1.0 32.37 ? 39 GLU B CB 1 39 . B ATOM 3296 C CG . GLU B 1 39 ? 21.889 26.632 19.781 1.0 36.39 ? 39 GLU B CG 1 39 . B ATOM 3297 C CD . GLU B 1 39 ? 20.427 26.345 19.769 1.0 39.11 ? 39 GLU B CD 1 39 . B ATOM 3298 O OE1 . GLU B 1 39 ? 20.064 25.245 19.304 1.0 40.28 ? 39 GLU B OE1 1 39 . B ATOM 3299 O OE2 . GLU B 1 39 ? 19.646 27.198 20.260 1.0 40.29 ? 39 GLU B OE2 1 39 . B ATOM 3300 N N . GLN B 1 40 ? 25.315 26.343 20.574 1.0 29.78 ? 40 GLN B N 1 40 . B ATOM 3301 C CA . GLN B 1 40 ? 25.892 25.457 21.632 1.0 28.2 ? 40 GLN B CA 1 40 . B ATOM 3302 C C . GLN B 1 40 ? 25.693 25.972 23.028 1.0 31.31 ? 40 GLN B C 1 40 . B ATOM 3303 O O . GLN B 1 40 ? 25.983 27.132 23.304 1.0 31.49 ? 40 GLN B O 1 40 . B ATOM 3304 C CB . GLN B 1 40 ? 27.365 25.293 21.488 1.0 23.23 ? 40 GLN B CB 1 40 . B ATOM 3305 C CG . GLN B 1 40 ? 27.980 26.558 21.434 1.0 21.48 ? 40 GLN B CG 1 40 . B ATOM 3306 C CD . GLN B 1 40 ? 29.224 26.387 20.697 1.0 23.38 ? 40 GLN B CD 1 40 . B ATOM 3307 O OE1 . GLN B 1 40 ? 29.774 27.359 20.144 1.0 27.19 ? 40 GLN B OE1 1 40 . B ATOM 3308 N NE2 . GLN B 1 40 ? 29.689 25.151 20.638 1.0 19.36 ? 40 GLN B NE2 1 40 . B ATOM 3309 N N . GLY B 1 41 ? 25.213 25.106 23.910 1.0 34.04 ? 41 GLY B N 1 41 . B ATOM 3310 C CA . GLY B 1 41 ? 25.004 25.506 25.310 1.0 34.9 ? 41 GLY B CA 1 41 . B ATOM 3311 C C . GLY B 1 41 ? 24.763 24.469 26.445 1.0 32.87 ? 41 GLY B C 1 41 . B ATOM 3312 O O . GLY B 1 41 ? 25.267 23.318 26.430 1.0 31.21 ? 41 GLY B O 1 41 . B ATOM 3313 N N . CYS B 1 42 ? 23.977 24.925 27.426 1.0 31.15 ? 42 CYS B N 1 42 . B ATOM 3314 C CA . CYS B 1 42 ? 23.664 24.116 28.570 1.0 31.07 ? 42 CYS B CA 1 42 . B ATOM 3315 C C . CYS B 1 42 ? 22.287 23.662 28.370 1.0 31.97 ? 42 CYS B C 1 42 . B ATOM 3316 O O . CYS B 1 42 ? 21.445 24.436 27.979 1.0 30.84 ? 42 CYS B O 1 42 . B ATOM 3317 C CB . CYS B 1 42 ? 23.576 24.973 29.841 1.0 30.27 ? 42 CYS B CB 1 42 . B ATOM 3318 S SG . CYS B 1 42 ? 25.141 25.636 30.534 1.0 31.37 ? 42 CYS B SG 1 42 . B ATOM 3319 N N . VAL B 1 43 ? 22.040 22.437 28.765 1.0 33.8 ? 43 VAL B N 1 43 . B ATOM 3320 C CA . VAL B 1 43 ? 20.701 21.953 28.773 1.0 38.95 ? 43 VAL B CA 1 43 . B ATOM 3321 C C . VAL B 1 43 ? 20.432 21.101 30.096 1.0 47.68 ? 43 VAL B C 1 43 . B ATOM 3322 O O . VAL B 1 43 ? 21.294 21.097 31.034 1.0 50.22 ? 43 VAL B O 1 43 . B ATOM 3323 C CB . VAL B 1 43 ? 20.188 21.429 27.390 1.0 35.8 ? 43 VAL B CB 1 43 . B ATOM 3324 C CG1 . VAL B 1 43 ? 20.284 22.460 26.365 1.0 35.33 ? 43 VAL B CG1 1 43 . B ATOM 3325 C CG2 . VAL B 1 43 ? 20.881 20.192 26.929 1.0 35.21 ? 43 VAL B CG2 1 43 . B ATOM 3326 N N . ALA B 1 44 ? 19.242 20.471 30.195 1.0 49.82 ? 44 ALA B N 1 44 . B ATOM 3327 C CA . ALA B 1 44 ? 18.799 19.613 31.318 1.0 50.54 ? 44 ALA B CA 1 44 . B ATOM 3328 C C . ALA B 1 44 ? 18.780 18.195 30.749 1.0 50.33 ? 44 ALA B C 1 44 . B ATOM 3329 O O . ALA B 1 44 ? 19.382 17.273 31.295 1.0 50.97 ? 44 ALA B O 1 44 . B ATOM 3330 C CB . ALA B 1 44 ? 17.376 20.020 31.761 1.0 50.32 ? 44 ALA B CB 1 44 . B ATOM 3331 N N . THR B 1 45 ? 18.093 18.074 29.614 1.0 49.97 ? 45 THR B N 1 45 . B ATOM 3332 C CA . THR B 1 45 ? 17.978 16.847 28.834 1.0 50.01 ? 45 THR B CA 1 45 . B ATOM 3333 C C . THR B 1 45 ? 18.495 16.999 27.349 1.0 49.24 ? 45 THR B C 1 45 . B ATOM 3334 O O . THR B 1 45 ? 18.358 18.071 26.719 1.0 49.68 ? 45 THR B O 1 45 . B ATOM 3335 C CB . THR B 1 45 ? 16.628 16.125 29.141 1.0 49.64 ? 45 THR B CB 1 45 . B ATOM 3336 O OG1 . THR B 1 45 ? 15.784 16.007 27.980 1.0 51.0 ? 45 THR B OG1 1 45 . B ATOM 3337 C CG2 . THR B 1 45 ? 15.905 16.899 30.227 1.0 48.28 ? 45 THR B CG2 1 45 . B ATOM 3338 N N . CYS B 1 46 ? 19.200 15.989 26.838 1.0 46.2 ? 46 CYS B N 1 46 . B ATOM 3339 C CA . CYS B 1 46 ? 19.752 16.090 25.493 1.0 43.04 ? 46 CYS B CA 1 46 . B ATOM 3340 C C . CYS B 1 46 ? 18.570 16.263 24.574 1.0 44.52 ? 46 CYS B C 1 46 . B ATOM 3341 O O . CYS B 1 46 ? 17.532 15.610 24.761 1.0 45.42 ? 46 CYS B O 1 46 . B ATOM 3342 C CB . CYS B 1 46 ? 20.473 14.818 25.122 1.0 39.54 ? 46 CYS B CB 1 46 . B ATOM 3343 S SG . CYS B 1 46 ? 21.001 14.875 23.396 1.0 35.86 ? 46 CYS B SG 1 46 . B ATOM 3344 N N . PRO B 1 47 ? 18.716 17.151 23.604 1.0 44.54 ? 47 PRO B N 1 47 . B ATOM 3345 C CA . PRO B 1 47 ? 17.662 17.464 22.691 1.0 45.96 ? 47 PRO B CA 1 47 . B ATOM 3346 C C . PRO B 1 47 ? 17.246 16.360 21.762 1.0 48.9 ? 47 PRO B C 1 47 . B ATOM 3347 O O . PRO B 1 47 ? 18.032 15.456 21.419 1.0 50.46 ? 47 PRO B O 1 47 . B ATOM 3348 C CB . PRO B 1 47 ? 18.229 18.673 21.954 1.0 44.35 ? 47 PRO B CB 1 47 . B ATOM 3349 C CG . PRO B 1 47 ? 18.823 19.440 23.030 1.0 42.77 ? 47 PRO B CG 1 47 . B ATOM 3350 C CD . PRO B 1 47 ? 19.398 18.389 23.990 1.0 44.63 ? 47 PRO B CD 1 47 . B ATOM 3351 N N . GLN B 1 48 ? 15.987 16.433 21.376 1.0 50.58 ? 48 GLN B N 1 48 . B ATOM 3352 C CA . GLN B 1 48 ? 15.470 15.407 20.520 1.0 54.57 ? 48 GLN B CA 1 48 . B ATOM 3353 C C . GLN B 1 48 ? 16.089 15.451 19.128 1.0 52.95 ? 48 GLN B C 1 48 . B ATOM 3354 O O . GLN B 1 48 ? 16.172 16.556 18.541 1.0 52.61 ? 48 GLN B O 1 48 . B ATOM 3355 C CB . GLN B 1 48 ? 13.939 15.451 20.479 1.0 59.66 ? 48 GLN B CB 1 48 . B ATOM 3356 C CG . GLN B 1 48 ? 13.272 14.548 21.531 1.0 64.39 ? 48 GLN B CG 1 48 . B ATOM 3357 C CD . GLN B 1 48 ? 14.061 13.230 21.887 1.0 68.06 ? 48 GLN B CD 1 48 . B ATOM 3358 O OE1 . GLN B 1 48 ? 13.762 12.128 21.357 1.0 68.25 ? 48 GLN B OE1 1 48 . B ATOM 3359 N NE2 . GLN B 1 48 ? 15.028 13.337 22.833 1.0 69.34 ? 48 GLN B NE2 1 48 . B ATOM 3360 N N . PHE B 1 49 ? 16.536 14.284 18.611 1.0 50.79 ? 49 PHE B N 1 49 . B ATOM 3361 C CA . PHE B 1 49 ? 17.064 14.340 17.275 1.0 48.98 ? 49 PHE B CA 1 49 . B ATOM 3362 C C . PHE B 1 49 ? 16.018 14.890 16.312 1.0 52.84 ? 49 PHE B C 1 49 . B ATOM 3363 O O . PHE B 1 49 ? 14.779 14.764 16.480 1.0 51.84 ? 49 PHE B O 1 49 . B ATOM 3364 C CB . PHE B 1 49 ? 17.825 13.155 16.739 1.0 44.15 ? 49 PHE B CB 1 49 . B ATOM 3365 C CG . PHE B 1 49 ? 18.628 13.520 15.512 1.0 41.72 ? 49 PHE B CG 1 49 . B ATOM 3366 C CD1 . PHE B 1 49 ? 19.563 14.544 15.578 1.0 40.87 ? 49 PHE B CD1 1 49 . B ATOM 3367 C CD2 . PHE B 1 49 ? 18.389 12.935 14.275 1.0 39.52 ? 49 PHE B CD2 1 49 . B ATOM 3368 C CE1 . PHE B 1 49 ? 20.294 14.911 14.469 1.0 38.59 ? 49 PHE B CE1 1 49 . B ATOM 3369 C CE2 . PHE B 1 49 ? 19.130 13.312 13.153 1.0 36.19 ? 49 PHE B CE2 1 49 . B ATOM 3370 C CZ . PHE B 1 49 ? 20.060 14.304 13.275 1.0 36.36 ? 49 PHE B CZ 1 49 . B ATOM 3371 N N . ARG B 1 50 ? 16.523 15.635 15.357 1.0 56.12 ? 50 ARG B N 1 50 . B ATOM 3372 C CA . ARG B 1 50 ? 15.617 16.274 14.461 1.0 59.09 ? 50 ARG B CA 1 50 . B ATOM 3373 C C . ARG B 1 50 ? 16.216 16.086 13.086 1.0 59.28 ? 50 ARG B C 1 50 . B ATOM 3374 O O . ARG B 1 50 ? 17.359 16.416 12.820 1.0 60.92 ? 50 ARG B O 1 50 . B ATOM 3375 C CB . ARG B 1 50 ? 15.446 17.721 14.906 1.0 62.29 ? 50 ARG B CB 1 50 . B ATOM 3376 C CG . ARG B 1 50 ? 14.553 18.498 14.072 1.0 66.79 ? 50 ARG B CG 1 50 . B ATOM 3377 C CD . ARG B 1 50 ? 13.649 17.523 13.420 1.0 71.34 ? 50 ARG B CD 1 50 . B ATOM 3378 N NE . ARG B 1 50 ? 12.746 17.001 14.422 1.0 75.49 ? 50 ARG B NE 1 50 . B ATOM 3379 C CZ . ARG B 1 50 ? 11.906 17.792 15.086 1.0 78.81 ? 50 ARG B CZ 1 50 . B ATOM 3380 N NH1 . ARG B 1 50 ? 11.905 19.110 14.831 1.0 79.36 ? 50 ARG B NH1 1 50 . B ATOM 3381 N NH2 . ARG B 1 50 ? 11.067 17.284 15.992 1.0 79.91 ? 50 ARG B NH2 1 50 . B ATOM 3382 N N . SER B 1 51 ? 15.424 15.422 12.266 1.0 58.04 ? 51 SER B N 1 51 . B ATOM 3383 C CA . SER B 1 51 ? 15.713 15.096 10.892 1.0 57.4 ? 51 SER B CA 1 51 . B ATOM 3384 C C . SER B 1 51 ? 16.526 16.169 10.161 1.0 54.55 ? 51 SER B C 1 51 . B ATOM 3385 O O . SER B 1 51 ? 17.622 15.908 9.617 1.0 54.9 ? 51 SER B O 1 51 . B ATOM 3386 C CB . SER B 1 51 ? 14.356 14.996 10.209 1.0 60.57 ? 51 SER B CB 1 51 . B ATOM 3387 O OG . SER B 1 51 ? 13.351 15.555 11.044 1.0 62.61 ? 51 SER B OG 1 51 . B ATOM 3388 N N . ASN B 1 52 ? 15.976 17.378 10.138 1.0 50.43 ? 52 ASN B N 1 52 . B ATOM 3389 C CA . ASN B 1 52 ? 16.612 18.491 9.459 1.0 46.89 ? 52 ASN B CA 1 52 . B ATOM 3390 C C . ASN B 1 52 ? 17.854 19.004 10.124 1.0 43.86 ? 52 ASN B C 1 52 . B ATOM 3391 O O . ASN B 1 52 ? 18.090 20.207 10.072 1.0 45.05 ? 52 ASN B O 1 52 . B ATOM 3392 C CB . ASN B 1 52 ? 15.653 19.666 9.411 1.0 47.85 ? 52 ASN B CB 1 52 . B ATOM 3393 C CG . ASN B 1 52 ? 14.927 19.891 10.710 1.0 48.34 ? 52 ASN B CG 1 52 . B ATOM 3394 O OD1 . ASN B 1 52 ? 13.788 19.444 10.862 1.0 48.77 ? 52 ASN B OD1 1 52 . B ATOM 3395 N ND2 . ASN B 1 52 ? 15.561 20.630 11.642 1.0 47.58 ? 52 ASN B ND2 1 52 . B ATOM 3396 N N . TYR B 1 53 ? 18.639 18.136 10.746 1.0 39.06 ? 53 TYR B N 1 53 . B ATOM 3397 C CA . TYR B 1 53 ? 19.787 18.624 11.453 1.0 35.95 ? 53 TYR B CA 1 53 . B ATOM 3398 C C . TYR B 1 53 ? 20.996 18.054 10.863 1.0 30.55 ? 53 TYR B C 1 53 . B ATOM 3399 O O . TYR B 1 53 ? 21.037 16.873 10.728 1.0 29.1 ? 53 TYR B O 1 53 . B ATOM 3400 C CB . TYR B 1 53 ? 19.741 18.081 12.872 1.0 39.02 ? 53 TYR B CB 1 53 . B ATOM 3401 C CG . TYR B 1 53 ? 18.864 18.820 13.851 1.0 43.19 ? 53 TYR B CG 1 53 . B ATOM 3402 C CD1 . TYR B 1 53 ? 18.246 20.009 13.526 1.0 44.39 ? 53 TYR B CD1 1 53 . B ATOM 3403 C CD2 . TYR B 1 53 ? 18.633 18.289 15.143 1.0 47.29 ? 53 TYR B CD2 1 53 . B ATOM 3404 C CE1 . TYR B 1 53 ? 17.408 20.655 14.462 1.0 47.16 ? 53 TYR B CE1 1 53 . B ATOM 3405 C CE2 . TYR B 1 53 ? 17.839 18.957 16.100 1.0 47.93 ? 53 TYR B CE2 1 53 . B ATOM 3406 C CZ . TYR B 1 53 ? 17.216 20.116 15.723 1.0 48.54 ? 53 TYR B CZ 1 53 . B ATOM 3407 O OH . TYR B 1 53 ? 16.441 20.746 16.638 1.0 51.39 ? 53 TYR B OH 1 53 . B ATOM 3408 N N . ARG B 1 54 ? 22.029 18.849 10.679 1.0 31.16 ? 54 ARG B N 1 54 . B ATOM 3409 C CA . ARG B 1 54 ? 23.287 18.346 10.145 1.0 35.84 ? 54 ARG B CA 1 54 . B ATOM 3410 C C . ARG B 1 54 ? 24.043 17.485 11.151 1.0 37.85 ? 54 ARG B C 1 54 . B ATOM 3411 O O . ARG B 1 54 ? 24.739 16.513 10.763 1.0 38.65 ? 54 ARG B O 1 54 . B ATOM 3412 C CB . ARG B 1 54 ? 24.187 19.492 9.636 1.0 38.98 ? 54 ARG B CB 1 54 . B ATOM 3413 C CG . ARG B 1 54 ? 25.674 19.133 9.594 1.0 42.26 ? 54 ARG B CG 1 54 . B ATOM 3414 C CD . ARG B 1 54 ? 26.282 19.626 8.294 1.0 47.21 ? 54 ARG B CD 1 54 . B ATOM 3415 N NE . ARG B 1 54 ? 25.201 19.962 7.354 1.0 50.9 ? 54 ARG B NE 1 54 . B ATOM 3416 C CZ . ARG B 1 54 ? 25.309 20.148 6.029 1.0 51.64 ? 54 ARG B CZ 1 54 . B ATOM 3417 N NH1 . ARG B 1 54 ? 26.472 20.070 5.380 1.0 52.16 ? 54 ARG B NH1 1 54 . B ATOM 3418 N NH2 . ARG B 1 54 ? 24.217 20.432 5.345 1.0 51.57 ? 54 ARG B NH2 1 54 . B ATOM 3419 N N . SER B 1 55 ? 23.967 17.912 12.424 1.0 38.04 ? 55 SER B N 1 55 . B ATOM 3420 C CA . SER B 1 55 ? 24.575 17.271 13.598 1.0 37.26 ? 55 SER B CA 1 55 . B ATOM 3421 C C . SER B 1 55 ? 23.957 17.715 14.975 1.0 34.95 ? 55 SER B C 1 55 . B ATOM 3422 O O . SER B 1 55 ? 23.190 18.679 15.063 1.0 31.76 ? 55 SER B O 1 55 . B ATOM 3423 C CB . SER B 1 55 ? 26.122 17.240 13.552 1.0 39.59 ? 55 SER B CB 1 55 . B ATOM 3424 O OG . SER B 1 55 ? 26.691 18.557 13.455 1.0 42.5 ? 55 SER B OG 1 55 . B ATOM 3425 N N . LEU B 1 56 ? 24.224 16.937 16.027 1.0 33.22 ? 56 LEU B N 1 56 . B ATOM 3426 C CA . LEU B 1 56 ? 23.719 17.188 17.372 1.0 29.72 ? 56 LEU B CA 1 56 . B ATOM 3427 C C . LEU B 1 56 ? 24.624 16.349 18.241 1.0 28.94 ? 56 LEU B C 1 56 . B ATOM 3428 O O . LEU B 1 56 ? 24.626 15.111 18.138 1.0 28.06 ? 56 LEU B O 1 56 . B ATOM 3429 C CB . LEU B 1 56 ? 22.296 16.663 17.565 1.0 26.05 ? 56 LEU B CB 1 56 . B ATOM 3430 C CG . LEU B 1 56 ? 21.701 16.840 18.971 1.0 22.63 ? 56 LEU B CG 1 56 . B ATOM 3431 C CD1 . LEU B 1 56 ? 21.289 18.242 19.178 1.0 19.43 ? 56 LEU B CD1 1 56 . B ATOM 3432 C CD2 . LEU B 1 56 ? 20.538 15.918 19.232 1.0 22.5 ? 56 LEU B CD2 1 56 . B ATOM 3433 N N . LEU B 1 57 ? 25.433 17.072 19.009 1.0 27.72 ? 57 LEU B N 1 57 . B ATOM 3434 C CA . LEU B 1 57 ? 26.398 16.516 19.951 1.0 25.81 ? 57 LEU B CA 1 57 . B ATOM 3435 C C . LEU B 1 57 ? 25.927 16.914 21.356 1.0 29.06 ? 57 LEU B C 1 57 . B ATOM 3436 O O . LEU B 1 57 ? 25.695 18.125 21.710 1.0 29.95 ? 57 LEU B O 1 57 . B ATOM 3437 C CB . LEU B 1 57 ? 27.804 17.033 19.735 1.0 21.31 ? 57 LEU B CB 1 57 . B ATOM 3438 C CG . LEU B 1 57 ? 28.655 16.627 20.931 1.0 18.49 ? 57 LEU B CG 1 57 . B ATOM 3439 C CD1 . LEU B 1 57 ? 29.291 15.177 20.894 1.0 15.32 ? 57 LEU B CD1 1 57 . B ATOM 3440 C CD2 . LEU B 1 57 ? 29.678 17.724 21.239 1.0 17.98 ? 57 LEU B CD2 1 57 . B ATOM 3441 N N . CYS B 1 58 ? 25.781 15.852 22.140 1.0 28.42 ? 58 CYS B N 1 58 . B ATOM 3442 C CA . CYS B 1 58 ? 25.354 15.912 23.521 1.0 26.33 ? 58 CYS B CA 1 58 . B ATOM 3443 C C . CYS B 1 58 ? 26.484 15.258 24.373 1.0 22.19 ? 58 CYS B C 1 58 . B ATOM 3444 O O . CYS B 1 58 ? 26.724 14.059 24.321 1.0 19.68 ? 58 CYS B O 1 58 . B ATOM 3445 C CB . CYS B 1 58 ? 24.008 15.153 23.581 1.0 28.25 ? 58 CYS B CB 1 58 . B ATOM 3446 S SG . CYS B 1 58 ? 22.518 16.214 23.502 1.0 29.49 ? 58 CYS B SG 1 58 . B ATOM 3447 N N . CYS B 1 59 ? 27.272 16.054 25.074 1.0 23.37 ? 59 CYS B N 1 59 . B ATOM 3448 C CA . CYS B 1 59 ? 28.290 15.467 25.963 1.0 26.51 ? 59 CYS B CA 1 59 . B ATOM 3449 C C . CYS B 1 59 ? 28.208 16.071 27.461 1.0 27.5 ? 59 CYS B C 1 59 . B ATOM 3450 O O . CYS B 1 59 ? 27.700 17.183 27.659 1.0 28.29 ? 59 CYS B O 1 59 . B ATOM 3451 C CB . CYS B 1 59 ? 29.632 15.634 25.349 1.0 22.85 ? 59 CYS B CB 1 59 . B ATOM 3452 S SG . CYS B 1 59 ? 29.596 17.355 25.043 1.0 24.28 ? 59 CYS B SG 1 59 . B ATOM 3453 N N . THR B 1 60 ? 28.672 15.335 28.490 1.0 25.03 ? 60 THR B N 1 60 . B ATOM 3454 C CA . THR B 1 60 ? 28.631 15.798 29.909 1.0 20.04 ? 60 THR B CA 1 60 . B ATOM 3455 C C . THR B 1 60 ? 30.045 15.948 30.494 1.0 19.02 ? 60 THR B C 1 60 . B ATOM 3456 O O . THR B 1 60 ? 30.533 15.125 31.259 1.0 18.98 ? 60 THR B O 1 60 . B ATOM 3457 C CB . THR B 1 60 ? 27.928 14.732 30.634 1.0 18.99 ? 60 THR B CB 1 60 . B ATOM 3458 O OG1 . THR B 1 60 ? 28.701 13.521 30.558 1.0 17.25 ? 60 THR B OG1 1 60 . B ATOM 3459 C CG2 . THR B 1 60 ? 26.630 14.492 29.918 1.0 19.61 ? 60 THR B CG2 1 60 . B ATOM 3460 N N . THR B 1 61 ? 30.727 17.006 30.105 1.0 16.76 ? 61 THR B N 1 61 . B ATOM 3461 C CA . THR B 1 61 ? 32.098 17.186 30.479 1.0 18.3 ? 61 THR B CA 1 61 . B ATOM 3462 C C . THR B 1 61 ? 32.306 18.643 30.174 1.0 18.81 ? 61 THR B C 1 61 . B ATOM 3463 O O . THR B 1 61 ? 31.393 19.304 29.688 1.0 17.22 ? 61 THR B O 1 61 . B ATOM 3464 C CB . THR B 1 61 ? 32.970 16.283 29.721 1.0 20.62 ? 61 THR B CB 1 61 . B ATOM 3465 O OG1 . THR B 1 61 ? 33.092 15.036 30.399 1.0 21.28 ? 61 THR B OG1 1 61 . B ATOM 3466 C CG2 . THR B 1 61 ? 34.284 16.856 29.612 1.0 24.31 ? 61 THR B CG2 1 61 . B ATOM 3467 N N . ASP B 1 62 ? 33.363 19.237 30.672 1.0 20.3 ? 62 ASP B N 1 62 . B ATOM 3468 C CA . ASP B 1 62 ? 33.375 20.673 30.603 1.0 26.48 ? 62 ASP B CA 1 62 . B ATOM 3469 C C . ASP B 1 62 ? 33.640 21.162 29.212 1.0 27.19 ? 62 ASP B C 1 62 . B ATOM 3470 O O . ASP B 1 62 ? 34.441 20.532 28.565 1.0 29.05 ? 62 ASP B O 1 62 . B ATOM 3471 C CB . ASP B 1 62 ? 34.347 21.303 31.667 1.0 32.27 ? 62 ASP B CB 1 62 . B ATOM 3472 C CG . ASP B 1 62 ? 33.774 21.336 33.181 1.0 32.79 ? 62 ASP B CG 1 62 . B ATOM 3473 O OD1 . ASP B 1 62 ? 32.584 20.959 33.517 1.0 29.89 ? 62 ASP B OD1 1 62 . B ATOM 3474 O OD2 . ASP B 1 62 ? 34.625 21.773 34.028 1.0 33.24 ? 62 ASP B OD2 1 62 . B ATOM 3475 N N . ASN B 1 63 ? 33.004 22.261 28.793 1.0 27.72 ? 63 ASN B N 1 63 . B ATOM 3476 C CA . ASN B 1 63 ? 33.156 22.817 27.432 1.0 31.98 ? 63 ASN B CA 1 63 . B ATOM 3477 C C . ASN B 1 63 ? 33.375 21.713 26.323 1.0 28.17 ? 63 ASN B C 1 63 . B ATOM 3478 O O . ASN B 1 63 ? 34.316 21.754 25.563 1.0 26.74 ? 63 ASN B O 1 63 . B ATOM 3479 C CB . ASN B 1 63 ? 34.304 23.831 27.456 1.0 36.52 ? 63 ASN B CB 1 63 . B ATOM 3480 C CG . ASN B 1 63 ? 34.256 24.698 28.704 1.0 39.26 ? 63 ASN B CG 1 63 . B ATOM 3481 O OD1 . ASN B 1 63 ? 35.072 25.618 28.897 1.0 40.99 ? 63 ASN B OD1 1 63 . B ATOM 3482 N ND2 . ASN B 1 63 ? 33.295 24.384 29.548 1.0 37.73 ? 63 ASN B ND2 1 63 . B ATOM 3483 N N . CYS B 1 64 ? 32.594 20.645 26.361 1.0 24.72 ? 64 CYS B N 1 64 . B ATOM 3484 C CA . CYS B 1 64 ? 32.872 19.591 25.461 1.0 25.94 ? 64 CYS B CA 1 64 . B ATOM 3485 C C . CYS B 1 64 ? 32.158 19.880 24.108 1.0 26.94 ? 64 CYS B C 1 64 . B ATOM 3486 O O . CYS B 1 64 ? 32.609 19.539 23.028 1.0 21.26 ? 64 CYS B O 1 64 . B ATOM 3487 C CB . CYS B 1 64 ? 32.436 18.276 26.125 1.0 23.77 ? 64 CYS B CB 1 64 . B ATOM 3488 S SG . CYS B 1 64 ? 30.689 18.219 26.527 1.0 24.03 ? 64 CYS B SG 1 64 . B ATOM 3489 N N . ASN B 1 65 ? 31.047 20.571 24.243 1.0 30.77 ? 65 ASN B N 1 65 . B ATOM 3490 C CA . ASN B 1 65 ? 30.308 21.009 23.098 1.0 31.77 ? 65 ASN B CA 1 65 . B ATOM 3491 C C . ASN B 1 65 ? 31.136 21.849 22.136 1.0 34.0 ? 65 ASN B C 1 65 . B ATOM 3492 O O . ASN B 1 65 ? 30.993 23.066 22.030 1.0 32.35 ? 65 ASN B O 1 65 . B ATOM 3493 C CB . ASN B 1 65 ? 28.970 21.684 23.458 1.0 29.3 ? 65 ASN B CB 1 65 . B ATOM 3494 C CG . ASN B 1 65 ? 29.122 22.952 24.236 1.0 26.79 ? 65 ASN B CG 1 65 . B ATOM 3495 O OD1 . ASN B 1 65 ? 30.157 23.201 24.900 1.0 26.9 ? 65 ASN B OD1 1 65 . B ATOM 3496 N ND2 . ASN B 1 65 ? 28.042 23.767 24.210 1.0 24.72 ? 65 ASN B ND2 1 65 . B ATOM 3497 N N . HIS B 1 66 ? 32.004 21.165 21.399 1.0 36.58 ? 66 HIS B N 1 66 . B ATOM 3498 C CA . HIS B 1 66 ? 32.734 21.852 20.368 1.0 38.26 ? 66 HIS B CA 1 66 . B ATOM 3499 C C . HIS B 1 66 ? 33.108 20.942 19.237 1.0 41.64 ? 66 HIS B C 1 66 . B ATOM 3500 O O . HIS B 1 66 ? 33.430 21.655 18.245 1.0 44.9 ? 66 HIS B O 1 66 . B ATOM 3501 C CB . HIS B 1 66 ? 33.893 22.615 20.832 1.0 39.07 ? 66 HIS B CB 1 66 . B ATOM 3502 C CG . HIS B 1 66 ? 34.894 21.759 21.492 1.0 43.4 ? 66 HIS B CG 1 66 . B ATOM 3503 N ND1 . HIS B 1 66 ? 34.540 20.592 22.138 1.0 45.2 ? 66 HIS B ND1 1 66 . B ATOM 3504 C CD2 . HIS B 1 66 ? 36.230 21.887 21.630 1.0 45.24 ? 66 HIS B CD2 1 66 . B ATOM 3505 C CE1 . HIS B 1 66 ? 35.628 20.023 22.628 1.0 46.41 ? 66 HIS B CE1 1 66 . B ATOM 3506 N NE2 . HIS B 1 66 ? 36.665 20.794 22.339 1.0 46.36 ? 66 HIS B NE2 1 66 . B ATOM 3507 O OXT . HIS B 1 66 ? 33.043 19.667 19.387 1.0 39.81 ? 66 HIS B OXT 1 66 . B ATOM 3508 N N . ARG BA 1 1 ? 33.365 -12.734 34.342 1.0 28.42 ? 1 ARG BA N 1 1 . B ATOM 3509 C CA . ARG BA 1 1 ? 34.042 -13.985 34.352 1.0 32.83 ? 1 ARG BA CA 1 1 . B ATOM 3510 C C . ARG BA 1 1 ? 35.331 -13.566 33.787 1.0 36.65 ? 1 ARG BA C 1 1 . B ATOM 3511 O O . ARG BA 1 1 ? 35.808 -12.465 34.064 1.0 41.47 ? 1 ARG BA O 1 1 . B ATOM 3512 C CB . ARG BA 1 1 ? 33.396 -14.863 33.314 1.0 36.61 ? 1 ARG BA CB 1 1 . B ATOM 3513 C CG . ARG BA 1 1 ? 32.391 -14.118 32.466 1.0 40.21 ? 1 ARG BA CG 1 1 . B ATOM 3514 C CD . ARG BA 1 1 ? 31.460 -15.078 31.722 1.0 42.87 ? 1 ARG BA CD 1 1 . B ATOM 3515 N NE . ARG BA 1 1 ? 30.393 -15.510 32.610 1.0 46.4 ? 1 ARG BA NE 1 1 . B ATOM 3516 C CZ . ARG BA 1 1 ? 30.549 -16.473 33.530 1.0 48.43 ? 1 ARG BA CZ 1 1 . B ATOM 3517 N NH1 . ARG BA 1 1 ? 31.732 -17.091 33.642 1.0 48.34 ? 1 ARG BA NH1 1 1 . B ATOM 3518 N NH2 . ARG BA 1 1 ? 29.542 -16.819 34.339 1.0 49.01 ? 1 ARG BA NH2 1 1 . B ATOM 3519 N N . THR BA 1 2 ? 35.896 -14.418 32.947 1.0 37.03 ? 2 THR BA N 1 2 . B ATOM 3520 C CA . THR BA 1 2 ? 37.105 -14.075 32.240 1.0 35.87 ? 2 THR BA CA 1 2 . B ATOM 3521 C C . THR BA 1 2 ? 36.571 -14.232 30.847 1.0 35.32 ? 2 THR BA C 1 2 . B ATOM 3522 O O . THR BA 1 2 ? 36.145 -15.307 30.465 1.0 35.79 ? 2 THR BA O 1 2 . B ATOM 3523 C CB . THR BA 1 2 ? 38.159 -15.134 32.300 1.0 37.99 ? 2 THR BA CB 1 2 . B ATOM 3524 O OG1 . THR BA 1 2 ? 38.523 -15.408 33.654 1.0 39.65 ? 2 THR BA OG1 1 2 . B ATOM 3525 C CG2 . THR BA 1 2 ? 39.365 -14.612 31.605 1.0 39.3 ? 2 THR BA CG2 1 2 . B ATOM 3526 N N . CYS BA 1 3 ? 36.583 -13.182 30.052 1.0 34.38 ? 3 CYS BA N 1 3 . B ATOM 3527 C CA . CYS BA 1 3 ? 36.094 -13.375 28.708 1.0 28.7 ? 3 CYS BA CA 1 3 . B ATOM 3528 C C . CYS BA 1 3 ? 37.221 -13.068 27.805 1.0 25.41 ? 3 CYS BA C 1 3 . B ATOM 3529 O O . CYS BA 1 3 ? 38.037 -12.245 28.162 1.0 22.04 ? 3 CYS BA O 1 3 . B ATOM 3530 C CB . CYS BA 1 3 ? 35.122 -12.327 28.392 1.0 26.39 ? 3 CYS BA CB 1 3 . B ATOM 3531 S SG . CYS BA 1 3 ? 33.456 -12.548 28.924 1.0 28.16 ? 3 CYS BA SG 1 3 . B ATOM 3532 N N . LEU BA 1 4 ? 37.152 -13.638 26.585 1.0 27.65 ? 4 LEU BA N 1 4 . B ATOM 3533 C CA . LEU BA 1 4 ? 38.116 -13.387 25.497 1.0 27.08 ? 4 LEU BA CA 1 4 . B ATOM 3534 C C . LEU BA 1 4 ? 38.094 -11.951 25.030 1.0 24.06 ? 4 LEU BA C 1 4 . B ATOM 3535 O O . LEU BA 1 4 ? 37.074 -11.338 25.101 1.0 21.79 ? 4 LEU BA O 1 4 . B ATOM 3536 C CB . LEU BA 1 4 ? 37.878 -14.336 24.374 1.0 27.54 ? 4 LEU BA CB 1 4 . B ATOM 3537 C CG . LEU BA 1 4 ? 38.984 -15.324 24.749 1.0 30.26 ? 4 LEU BA CG 1 4 . B ATOM 3538 C CD1 . LEU BA 1 4 ? 40.154 -14.673 24.157 1.0 28.92 ? 4 LEU BA CD1 1 4 . B ATOM 3539 C CD2 . LEU BA 1 4 ? 39.249 -15.461 26.284 1.0 30.78 ? 4 LEU BA CD2 1 4 . B ATOM 3540 N N . ILE BA 1 5 ? 39.225 -11.390 24.651 1.0 26.01 ? 5 ILE BA N 1 5 . B ATOM 3541 C CA . ILE BA 1 5 ? 39.277 -9.972 24.279 1.0 31.27 ? 5 ILE BA CA 1 5 . B ATOM 3542 C C . ILE BA 1 5 ? 39.729 -9.629 22.849 1.0 34.09 ? 5 ILE BA C 1 5 . B ATOM 3543 O O . ILE BA 1 5 ? 40.772 -10.049 22.364 1.0 31.79 ? 5 ILE BA O 1 5 . B ATOM 3544 C CB . ILE BA 1 5 ? 39.942 -9.075 25.412 1.0 33.14 ? 5 ILE BA CB 1 5 . B ATOM 3545 C CG1 . ILE BA 1 5 ? 39.013 -7.986 25.923 1.0 33.21 ? 5 ILE BA CG1 1 5 . B ATOM 3546 C CG2 . ILE BA 1 5 ? 41.374 -8.673 25.163 1.0 34.55 ? 5 ILE BA CG2 1 5 . B ATOM 3547 C CD1 . ILE BA 1 5 ? 38.069 -8.634 27.033 1.0 32.06 ? 5 ILE BA CD1 1 5 . B ATOM 3548 N N . SER BA 1 6 ? 38.897 -8.855 22.179 1.0 39.64 ? 6 SER BA N 1 6 . B ATOM 3549 C CA . SER BA 1 6 ? 39.124 -8.445 20.785 1.0 44.24 ? 6 SER BA CA 1 6 . B ATOM 3550 C C . SER BA 1 6 ? 40.418 -8.418 19.972 1.0 46.33 ? 6 SER BA C 1 6 . B ATOM 3551 O O . SER BA 1 6 ? 40.519 -9.134 18.959 1.0 51.01 ? 6 SER BA O 1 6 . B ATOM 3552 C CB . SER BA 1 6 ? 38.079 -7.469 20.184 1.0 43.26 ? 6 SER BA CB 1 6 . B ATOM 3553 O OG . SER BA 1 6 ? 38.605 -6.172 20.117 1.0 44.39 ? 6 SER BA OG 1 6 . B ATOM 3554 N N . PRO BA 1 7 ? 41.344 -7.516 20.296 1.0 39.54 ? 7 PRO BA N 1 7 . B ATOM 3555 C CA . PRO BA 1 7 ? 42.542 -7.345 19.431 1.0 34.1 ? 7 PRO BA CA 1 7 . B ATOM 3556 C C . PRO BA 1 7 ? 43.227 -8.687 19.462 1.0 33.39 ? 7 PRO BA C 1 7 . B ATOM 3557 O O . PRO BA 1 7 ? 43.130 -9.492 18.526 1.0 31.86 ? 7 PRO BA O 1 7 . B ATOM 3558 C CB . PRO BA 1 7 ? 43.314 -6.195 20.057 1.0 31.46 ? 7 PRO BA CB 1 7 . B ATOM 3559 C CG . PRO BA 1 7 ? 42.207 -5.467 20.926 1.0 34.47 ? 7 PRO BA CG 1 7 . B ATOM 3560 C CD . PRO BA 1 7 ? 41.312 -6.599 21.447 1.0 36.16 ? 7 PRO BA CD 1 7 . B ATOM 3561 N N . SER BA 1 8 ? 43.688 -9.052 20.645 1.0 33.55 ? 8 SER BA N 1 8 . B ATOM 3562 C CA . SER BA 1 8 ? 44.340 -10.306 20.831 1.0 33.88 ? 8 SER BA CA 1 8 . B ATOM 3563 C C . SER BA 1 8 ? 43.655 -11.566 21.359 1.0 36.48 ? 8 SER BA C 1 8 . B ATOM 3564 O O . SER BA 1 8 ? 44.248 -12.681 21.353 1.0 38.95 ? 8 SER BA O 1 8 . B ATOM 3565 C CB . SER BA 1 8 ? 45.479 -10.097 21.745 1.0 34.58 ? 8 SER BA CB 1 8 . B ATOM 3566 O OG . SER BA 1 8 ? 46.058 -11.409 21.841 1.0 36.6 ? 8 SER BA OG 1 8 . B ATOM 3567 N N . SER BA 1 9 ? 42.454 -11.436 21.883 1.0 36.11 ? 9 SER BA N 1 9 . B ATOM 3568 C CA . SER BA 1 9 ? 41.822 -12.608 22.407 1.0 40.07 ? 9 SER BA CA 1 9 . B ATOM 3569 C C . SER BA 1 9 ? 42.611 -13.257 23.518 1.0 40.49 ? 9 SER BA C 1 9 . B ATOM 3570 O O . SER BA 1 9 ? 42.845 -14.460 23.502 1.0 41.75 ? 9 SER BA O 1 9 . B ATOM 3571 C CB . SER BA 1 9 ? 41.623 -13.579 21.282 1.0 44.18 ? 9 SER BA CB 1 9 . B ATOM 3572 O OG . SER BA 1 9 ? 41.475 -12.766 20.121 1.0 48.67 ? 9 SER BA OG 1 9 . B ATOM 3573 N N . THR BA 1 10 ? 42.911 -12.500 24.547 1.0 39.04 ? 10 THR BA N 1 10 . B ATOM 3574 C CA . THR BA 1 10 ? 43.515 -13.119 25.687 1.0 37.32 ? 10 THR BA CA 1 10 . B ATOM 3575 C C . THR BA 1 10 ? 42.361 -12.924 26.606 1.0 32.97 ? 10 THR BA C 1 10 . B ATOM 3576 O O . THR BA 1 10 ? 41.661 -11.967 26.502 1.0 30.56 ? 10 THR BA O 1 10 . B ATOM 3577 C CB . THR BA 1 10 ? 44.554 -12.233 26.277 1.0 39.43 ? 10 THR BA CB 1 10 . B ATOM 3578 O OG1 . THR BA 1 10 ? 44.642 -11.052 25.455 1.0 39.71 ? 10 THR BA OG1 1 10 . B ATOM 3579 C CG2 . THR BA 1 10 ? 45.936 -12.999 26.374 1.0 40.44 ? 10 THR BA CG2 1 10 . B ATOM 3580 N N . PRO BA 1 11 ? 42.174 -13.854 27.498 1.0 33.52 ? 11 PRO BA N 1 11 . B ATOM 3581 C CA . PRO BA 1 11 ? 41.183 -13.773 28.553 1.0 33.27 ? 11 PRO BA CA 1 11 . B ATOM 3582 C C . PRO BA 1 11 ? 41.440 -12.563 29.517 1.0 34.12 ? 11 PRO BA C 1 11 . B ATOM 3583 O O . PRO BA 1 11 ? 42.577 -12.159 29.746 1.0 32.92 ? 11 PRO BA O 1 11 . B ATOM 3584 C CB . PRO BA 1 11 ? 41.448 -15.063 29.326 1.0 33.21 ? 11 PRO BA CB 1 11 . B ATOM 3585 C CG . PRO BA 1 11 ? 42.779 -15.758 28.642 1.0 33.66 ? 11 PRO BA CG 1 11 . B ATOM 3586 C CD . PRO BA 1 11 ? 43.361 -14.657 27.856 1.0 34.6 ? 11 PRO BA CD 1 11 . B ATOM 3587 N N . GLN BA 1 12 ? 40.386 -11.992 30.101 1.0 35.62 ? 12 GLN BA N 1 12 . B ATOM 3588 C CA . GLN BA 1 12 ? 40.519 -10.875 31.027 1.0 36.01 ? 12 GLN BA CA 1 12 . B ATOM 3589 C C . GLN BA 1 12 ? 39.211 -10.946 31.798 1.0 36.01 ? 12 GLN BA C 1 12 . B ATOM 3590 O O . GLN BA 1 12 ? 38.125 -11.113 31.191 1.0 34.81 ? 12 GLN BA O 1 12 . B ATOM 3591 C CB . GLN BA 1 12 ? 40.674 -9.527 30.322 1.0 38.01 ? 12 GLN BA CB 1 12 . B ATOM 3592 C CG . GLN BA 1 12 ? 40.886 -8.293 31.243 1.0 40.97 ? 12 GLN BA CG 1 12 . B ATOM 3593 C CD . GLN BA 1 12 ? 42.341 -8.100 31.769 1.0 42.0 ? 12 GLN BA CD 1 12 . B ATOM 3594 O OE1 . GLN BA 1 12 ? 43.305 -8.635 31.226 1.0 43.62 ? 12 GLN BA OE1 1 12 . B ATOM 3595 N NE2 . GLN BA 1 12 ? 42.496 -7.311 32.827 1.0 40.74 ? 12 GLN BA NE2 1 12 . B ATOM 3596 N N . THR BA 1 13 ? 39.336 -10.894 33.142 1.0 34.8 ? 13 THR BA N 1 13 . B ATOM 3597 C CA . THR BA 1 13 ? 38.180 -10.997 34.013 1.0 32.34 ? 13 THR BA CA 1 13 . B ATOM 3598 C C . THR BA 1 13 ? 37.348 -9.780 33.934 1.0 24.81 ? 13 THR BA C 1 13 . B ATOM 3599 O O . THR BA 1 13 ? 37.834 -8.624 34.097 1.0 22.61 ? 13 THR BA O 1 13 . B ATOM 3600 C CB . THR BA 1 13 ? 38.505 -11.283 35.500 1.0 39.5 ? 13 THR BA CB 1 13 . B ATOM 3601 O OG1 . THR BA 1 13 ? 37.690 -10.431 36.348 1.0 41.77 ? 13 THR BA OG1 1 13 . B ATOM 3602 C CG2 . THR BA 1 13 ? 40.046 -11.136 35.792 1.0 39.7 ? 13 THR BA CG2 1 13 . B ATOM 3603 N N . CYS BA 1 14 ? 36.084 -10.035 33.658 1.0 21.65 ? 14 CYS BA N 1 14 . B ATOM 3604 C CA . CYS BA 1 14 ? 35.212 -8.928 33.546 1.0 26.99 ? 14 CYS BA CA 1 14 . B ATOM 3605 C C . CYS BA 1 14 ? 35.215 -8.095 34.818 1.0 34.68 ? 14 CYS BA C 1 14 . B ATOM 3606 O O . CYS BA 1 14 ? 35.458 -8.579 35.931 1.0 36.38 ? 14 CYS BA O 1 14 . B ATOM 3607 C CB . CYS BA 1 14 ? 33.839 -9.400 33.213 1.0 28.89 ? 14 CYS BA CB 1 14 . B ATOM 3608 S SG . CYS BA 1 14 ? 33.709 -10.303 31.602 1.0 32.27 ? 14 CYS BA SG 1 14 . B ATOM 3609 N N . PRO BA 1 15 ? 35.037 -6.805 34.624 1.0 39.23 ? 15 PRO BA N 1 15 . B ATOM 3610 C CA . PRO BA 1 15 ? 34.960 -5.909 35.713 1.0 41.76 ? 15 PRO BA CA 1 15 . B ATOM 3611 C C . PRO BA 1 15 ? 33.746 -6.433 36.396 1.0 44.19 ? 15 PRO BA C 1 15 . B ATOM 3612 O O . PRO BA 1 15 ? 32.733 -6.729 35.752 1.0 42.16 ? 15 PRO BA O 1 15 . B ATOM 3613 C CB . PRO BA 1 15 ? 34.731 -4.596 35.002 1.0 41.88 ? 15 PRO BA CB 1 15 . B ATOM 3614 C CG . PRO BA 1 15 ? 35.686 -4.778 33.762 1.0 40.85 ? 15 PRO BA CG 1 15 . B ATOM 3615 C CD . PRO BA 1 15 ? 36.003 -6.267 33.665 1.0 40.02 ? 15 PRO BA CD 1 15 . B ATOM 3616 N N . ASN BA 1 16 ? 33.963 -6.676 37.698 1.0 47.52 ? 16 ASN BA N 1 16 . B ATOM 3617 C CA . ASN BA 1 16 ? 32.975 -7.195 38.629 1.0 48.19 ? 16 ASN BA CA 1 16 . B ATOM 3618 C C . ASN BA 1 16 ? 31.557 -6.723 38.262 1.0 48.66 ? 16 ASN BA C 1 16 . B ATOM 3619 O O . ASN BA 1 16 ? 31.330 -5.519 38.209 1.0 48.17 ? 16 ASN BA O 1 16 . B ATOM 3620 C CB . ASN BA 1 16 ? 33.341 -6.731 40.041 1.0 46.92 ? 16 ASN BA CB 1 16 . B ATOM 3621 C CG . ASN BA 1 16 ? 32.111 -6.369 40.858 1.0 45.5 ? 16 ASN BA CG 1 16 . B ATOM 3622 O OD1 . ASN BA 1 16 ? 31.278 -7.223 41.254 1.0 43.78 ? 16 ASN BA OD1 1 16 . B ATOM 3623 N ND2 . ASN BA 1 16 ? 31.971 -5.088 41.112 1.0 46.37 ? 16 ASN BA ND2 1 16 . B ATOM 3624 N N . GLY BA 1 17 ? 30.641 -7.656 37.980 1.0 49.14 ? 17 GLY BA N 1 17 . B ATOM 3625 C CA . GLY BA 1 17 ? 29.307 -7.267 37.582 1.0 50.07 ? 17 GLY BA CA 1 17 . B ATOM 3626 C C . GLY BA 1 17 ? 29.072 -7.487 36.058 1.0 51.9 ? 17 GLY BA C 1 17 . B ATOM 3627 O O . GLY BA 1 17 ? 27.916 -7.346 35.596 1.0 53.86 ? 17 GLY BA O 1 17 . B ATOM 3628 N N . GLN BA 1 18 ? 30.110 -7.801 35.259 1.0 49.2 ? 18 GLN BA N 1 18 . B ATOM 3629 C CA . GLN BA 1 18 ? 29.903 -8.028 33.781 1.0 46.6 ? 18 GLN BA CA 1 18 . B ATOM 3630 C C . GLN BA 1 18 ? 30.142 -9.510 33.568 1.0 43.5 ? 18 GLN BA C 1 18 . B ATOM 3631 O O . GLN BA 1 18 ? 31.254 -9.954 33.640 1.0 41.54 ? 18 GLN BA O 1 18 . B ATOM 3632 C CB . GLN BA 1 18 ? 30.952 -7.297 32.951 1.0 46.67 ? 18 GLN BA CB 1 18 . B ATOM 3633 C CG . GLN BA 1 18 ? 30.514 -5.990 32.279 1.0 45.89 ? 18 GLN BA CG 1 18 . B ATOM 3634 C CD . GLN BA 1 18 ? 31.635 -4.962 32.396 1.0 45.36 ? 18 GLN BA CD 1 18 . B ATOM 3635 O OE1 . GLN BA 1 18 ? 32.807 -5.343 32.448 1.0 45.04 ? 18 GLN BA OE1 1 18 . B ATOM 3636 N NE2 . GLN BA 1 18 ? 31.258 -3.681 32.482 1.0 44.05 ? 18 GLN BA NE2 1 18 . B ATOM 3637 N N . ASP BA 1 19 ? 29.106 -10.294 33.340 1.0 41.59 ? 19 ASP BA N 1 19 . B ATOM 3638 C CA . ASP BA 1 19 ? 29.213 -11.756 33.306 1.0 41.54 ? 19 ASP BA CA 1 19 . B ATOM 3639 C C . ASP BA 1 19 ? 29.064 -12.480 31.990 1.0 34.69 ? 19 ASP BA C 1 19 . B ATOM 3640 O O . ASP BA 1 19 ? 29.110 -13.689 31.896 1.0 31.84 ? 19 ASP BA O 1 19 . B ATOM 3641 C CB . ASP BA 1 19 ? 28.011 -12.212 34.105 1.0 48.18 ? 19 ASP BA CB 1 19 . B ATOM 3642 C CG . ASP BA 1 19 ? 26.787 -11.293 33.858 1.0 54.38 ? 19 ASP BA CG 1 19 . B ATOM 3643 O OD1 . ASP BA 1 19 ? 26.893 -10.216 33.155 1.0 54.23 ? 19 ASP BA OD1 1 19 . B ATOM 3644 O OD2 . ASP BA 1 19 ? 25.694 -11.643 34.393 1.0 57.63 ? 19 ASP BA OD2 1 19 . B ATOM 3645 N N . ILE BA 1 20 ? 28.746 -11.730 30.984 1.0 32.49 ? 20 ILE BA N 1 20 . B ATOM 3646 C CA . ILE BA 1 20 ? 28.541 -12.353 29.760 1.0 32.55 ? 20 ILE BA CA 1 20 . B ATOM 3647 C C . ILE BA 1 20 ? 29.565 -11.767 28.879 1.0 34.82 ? 20 ILE BA C 1 20 . B ATOM 3648 O O . ILE BA 1 20 ? 29.922 -10.606 28.953 1.0 34.62 ? 20 ILE BA O 1 20 . B ATOM 3649 C CB . ILE BA 1 20 ? 27.239 -11.964 29.322 1.0 31.72 ? 20 ILE BA CB 1 20 . B ATOM 3650 C CG1 . ILE BA 1 20 ? 27.249 -11.675 27.851 1.0 30.1 ? 20 ILE BA CG1 1 20 . B ATOM 3651 C CG2 . ILE BA 1 20 ? 26.842 -10.784 30.082 1.0 32.22 ? 20 ILE BA CG2 1 20 . B ATOM 3652 C CD1 . ILE BA 1 20 ? 25.832 -12.040 27.257 1.0 28.09 ? 20 ILE BA CD1 1 20 . B ATOM 3653 N N . CYS BA 1 21 ? 30.108 -12.673 28.100 1.0 37.35 ? 21 CYS BA N 1 21 . B ATOM 3654 C CA . CYS BA 1 21 ? 31.108 -12.414 27.071 1.0 36.02 ? 21 CYS BA CA 1 21 . B ATOM 3655 C C . CYS BA 1 21 ? 30.418 -12.281 25.707 1.0 35.35 ? 21 CYS BA C 1 21 . B ATOM 3656 O O . CYS BA 1 21 ? 29.435 -12.965 25.462 1.0 36.73 ? 21 CYS BA O 1 21 . B ATOM 3657 C CB . CYS BA 1 21 ? 31.757 -13.761 26.915 1.0 32.81 ? 21 CYS BA CB 1 21 . B ATOM 3658 S SG . CYS BA 1 21 ? 32.621 -14.305 28.382 1.0 28.97 ? 21 CYS BA SG 1 21 . B ATOM 3659 N N . PHE BA 1 22 ? 30.947 -11.540 24.754 1.0 33.91 ? 22 PHE BA N 1 22 . B ATOM 3660 C CA . PHE BA 1 22 ? 30.302 -11.604 23.424 1.0 32.26 ? 22 PHE BA CA 1 22 . B ATOM 3661 C C . PHE BA 1 22 ? 31.392 -11.560 22.392 1.0 30.87 ? 22 PHE BA C 1 22 . B ATOM 3662 O O . PHE BA 1 22 ? 32.506 -11.047 22.632 1.0 29.37 ? 22 PHE BA O 1 22 . B ATOM 3663 C CB . PHE BA 1 22 ? 29.522 -10.380 23.097 1.0 32.47 ? 22 PHE BA CB 1 22 . B ATOM 3664 C CG . PHE BA 1 22 ? 30.377 -9.128 23.139 1.0 35.07 ? 22 PHE BA CG 1 22 . B ATOM 3665 C CD1 . PHE BA 1 22 ? 30.854 -8.641 24.349 1.0 34.95 ? 22 PHE BA CD1 1 22 . B ATOM 3666 C CD2 . PHE BA 1 22 ? 30.660 -8.415 22.001 1.0 36.92 ? 22 PHE BA CD2 1 22 . B ATOM 3667 C CE1 . PHE BA 1 22 ? 31.565 -7.498 24.431 1.0 34.59 ? 22 PHE BA CE1 1 22 . B ATOM 3668 C CE2 . PHE BA 1 22 ? 31.399 -7.260 22.095 1.0 36.52 ? 22 PHE BA CE2 1 22 . B ATOM 3669 C CZ . PHE BA 1 22 ? 31.860 -6.831 23.317 1.0 35.85 ? 22 PHE BA CZ 1 22 . B ATOM 3670 N N . LEU BA 1 23 ? 30.995 -12.017 21.213 1.0 30.74 ? 23 LEU BA N 1 23 . B ATOM 3671 C CA . LEU BA 1 23 ? 31.805 -11.964 19.966 1.0 27.29 ? 23 LEU BA CA 1 23 . B ATOM 3672 C C . LEU BA 1 23 ? 30.885 -11.311 18.940 1.0 25.52 ? 23 LEU BA C 1 23 . B ATOM 3673 O O . LEU BA 1 23 ? 29.760 -11.793 18.670 1.0 22.6 ? 23 LEU BA O 1 23 . B ATOM 3674 C CB . LEU BA 1 23 ? 32.176 -13.372 19.430 1.0 25.56 ? 23 LEU BA CB 1 23 . B ATOM 3675 C CG . LEU BA 1 23 ? 33.393 -13.478 18.500 1.0 23.85 ? 23 LEU BA CG 1 23 . B ATOM 3676 C CD1 . LEU BA 1 23 ? 33.567 -14.933 18.376 1.0 22.98 ? 23 LEU BA CD1 1 23 . B ATOM 3677 C CD2 . LEU BA 1 23 ? 33.129 -12.872 17.111 1.0 24.3 ? 23 LEU BA CD2 1 23 . B ATOM 3678 N N . LYS BA 1 24 ? 31.347 -10.192 18.397 1.0 27.01 ? 24 LYS BA N 1 24 . B ATOM 3679 C CA . LYS BA 1 24 ? 30.641 -9.504 17.334 1.0 26.28 ? 24 LYS BA CA 1 24 . B ATOM 3680 C C . LYS BA 1 24 ? 31.529 -9.557 16.039 1.0 26.95 ? 24 LYS BA C 1 24 . B ATOM 3681 O O . LYS BA 1 24 ? 32.774 -9.773 16.039 1.0 26.03 ? 24 LYS BA O 1 24 . B ATOM 3682 C CB . LYS BA 1 24 ? 30.306 -8.111 17.792 1.0 26.95 ? 24 LYS BA CB 1 24 . B ATOM 3683 C CG . LYS BA 1 24 ? 29.557 -7.306 16.726 1.0 30.49 ? 24 LYS BA CG 1 24 . B ATOM 3684 C CD . LYS BA 1 24 ? 29.378 -5.780 17.064 1.0 31.66 ? 24 LYS BA CD 1 24 . B ATOM 3685 C CE . LYS BA 1 24 ? 29.312 -5.516 18.648 1.0 32.47 ? 24 LYS BA CE 1 24 . B ATOM 3686 N NZ . LYS BA 1 24 ? 28.831 -4.124 19.131 1.0 30.96 ? 24 LYS BA NZ 1 24 . B ATOM 3687 N N . ALA BA 1 25 ? 30.874 -9.417 14.905 1.0 27.73 ? 25 ALA BA N 1 25 . B ATOM 3688 C CA . ALA BA 1 25 ? 31.555 -9.463 13.594 1.0 24.88 ? 25 ALA BA CA 1 25 . B ATOM 3689 C C . ALA BA 1 25 ? 30.628 -8.817 12.657 1.0 24.8 ? 25 ALA BA C 1 25 . B ATOM 3690 O O . ALA BA 1 25 ? 29.523 -9.315 12.484 1.0 22.94 ? 25 ALA BA O 1 25 . B ATOM 3691 C CB . ALA BA 1 25 ? 31.736 -10.868 13.094 1.0 21.86 ? 25 ALA BA CB 1 25 . B ATOM 3692 N N . GLN BA 1 26 ? 31.075 -7.718 12.050 1.0 26.57 ? 26 GLN BA N 1 26 . B ATOM 3693 C CA . GLN BA 1 26 ? 30.340 -7.048 10.998 1.0 26.91 ? 26 GLN BA CA 1 26 . B ATOM 3694 C C . GLN BA 1 26 ? 31.309 -6.862 9.830 1.0 29.25 ? 26 GLN BA C 1 26 . B ATOM 3695 O O . GLN BA 1 26 ? 32.539 -6.998 9.992 1.0 32.63 ? 26 GLN BA O 1 26 . B ATOM 3696 C CB . GLN BA 1 26 ? 29.713 -5.737 11.431 1.0 26.82 ? 26 GLN BA CB 1 26 . B ATOM 3697 C CG . GLN BA 1 26 ? 30.489 -4.780 12.366 1.0 29.13 ? 26 GLN BA CG 1 26 . B ATOM 3698 C CD . GLN BA 1 26 ? 29.670 -3.490 12.666 1.0 32.93 ? 26 GLN BA CD 1 26 . B ATOM 3699 O OE1 . GLN BA 1 26 ? 28.583 -3.264 12.093 1.0 33.78 ? 26 GLN BA OE1 1 26 . B ATOM 3700 N NE2 . GLN BA 1 26 ? 30.181 -2.652 13.576 1.0 35.78 ? 26 GLN BA NE2 1 26 . B ATOM 3701 N N . CYS BA 1 27 ? 30.818 -6.525 8.651 1.0 25.17 ? 27 CYS BA N 1 27 . B ATOM 3702 C CA . CYS BA 1 27 ? 31.779 -6.282 7.577 1.0 24.13 ? 27 CYS BA CA 1 27 . B ATOM 3703 C C . CYS BA 1 27 ? 31.957 -4.801 7.403 1.0 20.33 ? 27 CYS BA C 1 27 . B ATOM 3704 O O . CYS BA 1 27 ? 31.013 -4.058 7.629 1.0 17.91 ? 27 CYS BA O 1 27 . B ATOM 3705 C CB . CYS BA 1 27 ? 31.148 -6.738 6.253 1.0 26.62 ? 27 CYS BA CB 1 27 . B ATOM 3706 S SG . CYS BA 1 27 ? 31.460 -8.456 5.927 1.0 29.35 ? 27 CYS BA SG 1 27 . B ATOM 3707 N N . ASP BA 1 28 ? 33.106 -4.375 6.895 1.0 20.35 ? 28 ASP BA N 1 28 . B ATOM 3708 C CA . ASP BA 1 28 ? 33.255 -2.977 6.502 1.0 25.53 ? 28 ASP BA CA 1 28 . B ATOM 3709 C C . ASP BA 1 28 ? 33.744 -3.164 5.053 1.0 33.21 ? 28 ASP BA C 1 28 . B ATOM 3710 O O . ASP BA 1 28 ? 33.778 -4.293 4.553 1.0 33.98 ? 28 ASP BA O 1 28 . B ATOM 3711 C CB . ASP BA 1 28 ? 34.369 -2.310 7.309 1.0 23.35 ? 28 ASP BA CB 1 28 . B ATOM 3712 C CG . ASP BA 1 28 ? 35.578 -3.070 7.253 1.0 22.15 ? 28 ASP BA CG 1 28 . B ATOM 3713 O OD1 . ASP BA 1 28 ? 35.483 -4.309 7.075 1.0 20.64 ? 28 ASP BA OD1 1 28 . B ATOM 3714 O OD2 . ASP BA 1 28 ? 36.596 -2.431 7.375 1.0 25.21 ? 28 ASP BA OD2 1 28 . B ATOM 3715 N N . LYS BA 1 29 ? 34.197 -2.091 4.392 1.0 39.79 ? 29 LYS BA N 1 29 . B ATOM 3716 C CA . LYS BA 1 29 ? 34.718 -2.113 2.991 1.0 41.3 ? 29 LYS BA CA 1 29 . B ATOM 3717 C C . LYS BA 1 29 ? 35.836 -3.129 2.828 1.0 46.49 ? 29 LYS BA C 1 29 . B ATOM 3718 O O . LYS BA 1 29 ? 35.913 -3.818 1.815 1.0 46.9 ? 29 LYS BA O 1 29 . B ATOM 3719 C CB . LYS BA 1 29 ? 35.374 -0.772 2.599 1.0 40.13 ? 29 LYS BA CB 1 29 . B ATOM 3720 C CG . LYS BA 1 29 ? 34.508 0.432 2.079 1.0 37.1 ? 29 LYS BA CG 1 29 . B ATOM 3721 C CD . LYS BA 1 29 ? 33.008 0.144 1.993 1.0 35.35 ? 29 LYS BA CD 1 29 . B ATOM 3722 C CE . LYS BA 1 29 ? 32.353 1.274 1.204 1.0 35.42 ? 29 LYS BA CE 1 29 . B ATOM 3723 N NZ . LYS BA 1 29 ? 30.875 1.534 1.506 1.0 36.93 ? 29 LYS BA NZ 1 29 . B ATOM 3724 N N . PHE BA 1 30 ? 36.777 -3.181 3.762 1.0 51.25 ? 30 PHE BA N 1 30 . B ATOM 3725 C CA . PHE BA 1 30 ? 37.816 -4.166 3.528 1.0 54.97 ? 30 PHE BA CA 1 30 . B ATOM 3726 C C . PHE BA 1 30 ? 37.247 -5.489 3.963 1.0 52.42 ? 30 PHE BA C 1 30 . B ATOM 3727 O O . PHE BA 1 30 ? 38.075 -6.322 4.403 1.0 54.44 ? 30 PHE BA O 1 30 . B ATOM 3728 C CB . PHE BA 1 30 ? 39.132 -4.019 4.324 1.0 62.24 ? 30 PHE BA CB 1 30 . B ATOM 3729 C CG . PHE BA 1 30 ? 39.929 -2.744 4.057 1.0 69.92 ? 30 PHE BA CG 1 30 . B ATOM 3730 C CD1 . PHE BA 1 30 ? 40.474 -2.415 2.788 1.0 72.81 ? 30 PHE BA CD1 1 30 . B ATOM 3731 C CD2 . PHE BA 1 30 ? 40.275 -1.926 5.118 1.0 72.19 ? 30 PHE BA CD2 1 30 . B ATOM 3732 C CE1 . PHE BA 1 30 ? 41.220 -1.187 2.593 1.0 72.98 ? 30 PHE BA CE1 1 30 . B ATOM 3733 C CE2 . PHE BA 1 30 ? 41.066 -0.752 4.928 1.0 72.66 ? 30 PHE BA CE2 1 30 . B ATOM 3734 C CZ . PHE BA 1 30 ? 41.546 -0.387 3.668 1.0 72.57 ? 30 PHE BA CZ 1 30 . B ATOM 3735 N N . CYS BA 1 31 ? 35.917 -5.721 3.882 1.0 46.81 ? 31 CYS BA N 1 31 . B ATOM 3736 C CA . CYS BA 1 31 ? 35.413 -7.050 4.302 1.0 44.72 ? 31 CYS BA CA 1 31 . B ATOM 3737 C C . CYS BA 1 31 ? 35.826 -8.243 3.401 1.0 49.87 ? 31 CYS BA C 1 31 . B ATOM 3738 O O . CYS BA 1 31 ? 35.334 -9.378 3.612 1.0 50.1 ? 31 CYS BA O 1 31 . B ATOM 3739 C CB . CYS BA 1 31 ? 33.909 -7.111 4.698 1.0 38.46 ? 31 CYS BA CB 1 31 . B ATOM 3740 S SG . CYS BA 1 31 ? 33.477 -8.514 5.832 1.0 32.08 ? 31 CYS BA SG 1 31 . B ATOM 3741 N N . SER BA 1 32 ? 36.695 -7.941 2.399 1.0 52.97 ? 32 SER BA N 1 32 . B ATOM 3742 C CA . SER BA 1 32 ? 37.253 -8.814 1.329 1.0 52.26 ? 32 SER BA CA 1 32 . B ATOM 3743 C C . SER BA 1 32 ? 38.787 -8.796 1.265 1.0 51.54 ? 32 SER BA C 1 32 . B ATOM 3744 O O . SER BA 1 32 ? 39.388 -9.602 0.588 1.0 52.8 ? 32 SER BA O 1 32 . B ATOM 3745 C CB . SER BA 1 32 ? 36.767 -8.316 -0.028 1.0 54.38 ? 32 SER BA CB 1 32 . B ATOM 3746 O OG . SER BA 1 32 ? 37.649 -7.339 -0.585 1.0 55.31 ? 32 SER BA OG 1 32 . B ATOM 3747 N N . ILE BA 1 33 ? 39.411 -7.854 1.949 1.0 50.75 ? 33 ILE BA N 1 33 . B ATOM 3748 C CA . ILE BA 1 33 ? 40.871 -7.711 2.009 1.0 50.74 ? 33 ILE BA CA 1 33 . B ATOM 3749 C C . ILE BA 1 33 ? 41.282 -8.306 3.371 1.0 52.01 ? 33 ILE BA C 1 33 . B ATOM 3750 O O . ILE BA 1 33 ? 42.435 -8.762 3.562 1.0 51.97 ? 33 ILE BA O 1 33 . B ATOM 3751 C CB . ILE BA 1 33 ? 41.268 -6.163 1.911 1.0 49.29 ? 33 ILE BA CB 1 33 . B ATOM 3752 C CG1 . ILE BA 1 33 ? 41.250 -5.721 0.449 1.0 48.72 ? 33 ILE BA CG1 1 33 . B ATOM 3753 C CG2 . ILE BA 1 33 ? 42.562 -5.752 2.677 1.0 47.84 ? 33 ILE BA CG2 1 33 . B ATOM 3754 C CD1 . ILE BA 1 33 ? 40.306 -6.553 -0.443 1.0 47.79 ? 33 ILE BA CD1 1 33 . B ATOM 3755 N N . ARG BA 1 34 ? 40.314 -8.323 4.303 1.0 51.46 ? 34 ARG BA N 1 34 . B ATOM 3756 C CA . ARG BA 1 34 ? 40.570 -8.831 5.650 1.0 49.65 ? 34 ARG BA CA 1 34 . B ATOM 3757 C C . ARG BA 1 34 ? 39.465 -9.682 6.282 1.0 44.6 ? 34 ARG BA C 1 34 . B ATOM 3758 O O . ARG BA 1 34 ? 39.707 -10.637 7.047 1.0 47.26 ? 34 ARG BA O 1 34 . B ATOM 3759 C CB . ARG BA 1 34 ? 40.906 -7.631 6.577 1.0 50.94 ? 34 ARG BA CB 1 34 . B ATOM 3760 C CG . ARG BA 1 34 ? 40.449 -7.758 8.067 1.0 48.19 ? 34 ARG BA CG 1 34 . B ATOM 3761 C CD . ARG BA 1 34 ? 39.407 -6.736 8.400 1.0 44.2 ? 34 ARG BA CD 1 34 . B ATOM 3762 N NE . ARG BA 1 34 ? 39.958 -5.414 8.261 1.0 43.79 ? 34 ARG BA NE 1 34 . B ATOM 3763 C CZ . ARG BA 1 34 ? 39.202 -4.326 8.187 1.0 47.43 ? 34 ARG BA CZ 1 34 . B ATOM 3764 N NH1 . ARG BA 1 34 ? 37.871 -4.397 8.216 1.0 49.24 ? 34 ARG BA NH1 1 34 . B ATOM 3765 N NH2 . ARG BA 1 34 ? 39.760 -3.145 8.033 1.0 49.07 ? 34 ARG BA NH2 1 34 . B ATOM 3766 N N . GLY BA 1 35 ? 38.239 -9.325 6.005 1.0 36.88 ? 35 GLY BA N 1 35 . B ATOM 3767 C CA . GLY BA 1 35 ? 37.229 -10.080 6.663 1.0 33.47 ? 35 GLY BA CA 1 35 . B ATOM 3768 C C . GLY BA 1 35 ? 36.571 -9.069 7.552 1.0 31.07 ? 35 GLY BA C 1 35 . B ATOM 3769 O O . GLY BA 1 35 ? 36.874 -7.860 7.605 1.0 31.31 ? 35 GLY BA O 1 35 . B ATOM 3770 N N . PRO BA 1 36 ? 35.585 -9.550 8.236 1.0 30.07 ? 36 PRO BA N 1 36 . B ATOM 3771 C CA . PRO BA 1 36 ? 34.868 -8.663 9.127 1.0 31.28 ? 36 PRO BA CA 1 36 . B ATOM 3772 C C . PRO BA 1 36 ? 35.707 -8.251 10.323 1.0 32.29 ? 36 PRO BA C 1 36 . B ATOM 3773 O O . PRO BA 1 36 ? 36.702 -8.943 10.778 1.0 31.8 ? 36 PRO BA O 1 36 . B ATOM 3774 C CB . PRO BA 1 36 ? 33.658 -9.502 9.581 1.0 32.1 ? 36 PRO BA CB 1 36 . B ATOM 3775 C CG . PRO BA 1 36 ? 34.086 -10.983 9.373 1.0 31.65 ? 36 PRO BA CG 1 36 . B ATOM 3776 C CD . PRO BA 1 36 ? 35.474 -10.964 8.590 1.0 30.57 ? 36 PRO BA CD 1 36 . B ATOM 3777 N N . VAL BA 1 37 ? 35.277 -7.099 10.821 1.0 32.92 ? 37 VAL BA N 1 37 . B ATOM 3778 C CA . VAL BA 1 37 ? 35.815 -6.517 12.039 1.0 34.18 ? 37 VAL BA CA 1 37 . B ATOM 3779 C C . VAL BA 1 37 ? 35.298 -7.410 13.197 1.0 33.24 ? 37 VAL BA C 1 37 . B ATOM 3780 O O . VAL BA 1 37 ? 34.093 -7.605 13.388 1.0 32.06 ? 37 VAL BA O 1 37 . B ATOM 3781 C CB . VAL BA 1 37 ? 35.187 -5.163 12.236 1.0 36.87 ? 37 VAL BA CB 1 37 . B ATOM 3782 C CG1 . VAL BA 1 37 ? 36.028 -4.354 13.145 1.0 38.72 ? 37 VAL BA CG1 1 37 . B ATOM 3783 C CG2 . VAL BA 1 37 ? 34.920 -4.487 10.901 1.0 36.04 ? 37 VAL BA CG2 1 37 . B ATOM 3784 N N . ILE BA 1 38 ? 36.210 -7.991 13.953 1.0 34.12 ? 38 ILE BA N 1 38 . B ATOM 3785 C CA . ILE BA 1 38 ? 35.791 -8.842 15.050 1.0 34.84 ? 38 ILE BA CA 1 38 . B ATOM 3786 C C . ILE BA 1 38 ? 36.149 -8.199 16.387 1.0 35.76 ? 38 ILE BA C 1 38 . B ATOM 3787 O O . ILE BA 1 38 ? 37.321 -7.899 16.674 1.0 36.5 ? 38 ILE BA O 1 38 . B ATOM 3788 C CB . ILE BA 1 38 ? 36.406 -10.180 14.918 1.0 33.36 ? 38 ILE BA CB 1 38 . B ATOM 3789 C CG1 . ILE BA 1 38 ? 35.481 -11.023 14.096 1.0 32.58 ? 38 ILE BA CG1 1 38 . B ATOM 3790 C CG2 . ILE BA 1 38 ? 36.752 -10.807 16.251 1.0 34.36 ? 38 ILE BA CG2 1 38 . B ATOM 3791 C CD1 . ILE BA 1 38 ? 36.244 -12.129 13.515 1.0 31.72 ? 38 ILE BA CD1 1 38 . B ATOM 3792 N N . GLU BA 1 39 ? 35.100 -7.953 17.160 1.0 34.55 ? 39 GLU BA N 1 39 . B ATOM 3793 C CA . GLU BA 1 39 ? 35.215 -7.355 18.488 1.0 32.88 ? 39 GLU BA CA 1 39 . B ATOM 3794 C C . GLU BA 1 39 ? 34.660 -8.363 19.588 1.0 30.32 ? 39 GLU BA C 1 39 . B ATOM 3795 O O . GLU BA 1 39 ? 33.521 -8.850 19.494 1.0 29.11 ? 39 GLU BA O 1 39 . B ATOM 3796 C CB . GLU BA 1 39 ? 34.451 -6.045 18.448 1.0 32.37 ? 39 GLU BA CB 1 39 . B ATOM 3797 C CG . GLU BA 1 39 ? 34.008 -5.640 19.781 1.0 36.39 ? 39 GLU BA CG 1 39 . B ATOM 3798 C CD . GLU BA 1 39 ? 33.029 -4.518 19.769 1.0 39.11 ? 39 GLU BA CD 1 39 . B ATOM 3799 O OE1 . GLU BA 1 39 ? 31.895 -4.753 19.304 1.0 40.28 ? 39 GLU BA OE1 1 39 . B ATOM 3800 O OE2 . GLU BA 1 39 ? 33.377 -3.415 20.260 1.0 40.29 ? 39 GLU BA OE2 1 39 . B ATOM 3801 N N . GLN BA 1 40 ? 35.471 -8.752 20.574 1.0 29.78 ? 40 GLN BA N 1 40 . B ATOM 3802 C CA . GLN BA 1 40 ? 34.992 -9.695 21.632 1.0 28.2 ? 40 GLN BA CA 1 40 . B ATOM 3803 C C . GLN BA 1 40 ? 35.339 -9.265 23.028 1.0 31.31 ? 40 GLN BA C 1 40 . B ATOM 3804 O O . GLN BA 1 40 ? 36.489 -8.936 23.304 1.0 31.49 ? 40 GLN BA O 1 40 . B ATOM 3805 C CB . GLN BA 1 40 ? 35.587 -11.052 21.488 1.0 23.23 ? 40 GLN BA CB 1 40 . B ATOM 3806 C CG . GLN BA 1 40 ? 36.990 -10.952 21.434 1.0 21.48 ? 40 GLN BA CG 1 40 . B ATOM 3807 C CD . GLN BA 1 40 ? 37.464 -12.115 20.697 1.0 23.38 ? 40 GLN BA CD 1 40 . B ATOM 3808 O OE1 . GLN BA 1 40 ? 38.581 -12.106 20.144 1.0 27.19 ? 40 GLN BA OE1 1 40 . B ATOM 3809 N NE2 . GLN BA 1 40 ? 36.626 -13.136 20.638 1.0 19.36 ? 40 GLN BA NE2 1 40 . B ATOM 3810 N N . GLY BA 1 41 ? 34.349 -9.282 23.910 1.0 34.04 ? 41 GLY BA N 1 41 . B ATOM 3811 C CA . GLY BA 1 41 ? 34.591 -8.901 25.310 1.0 34.9 ? 41 GLY BA CA 1 41 . B ATOM 3812 C C . GLY BA 1 41 ? 33.572 -9.211 26.445 1.0 32.87 ? 41 GLY BA C 1 41 . B ATOM 3813 O O . GLY BA 1 41 ? 32.827 -10.223 26.430 1.0 31.21 ? 41 GLY BA O 1 41 . B ATOM 3814 N N . CYS BA 1 42 ? 33.574 -8.302 27.426 1.0 31.15 ? 42 CYS BA N 1 42 . B ATOM 3815 C CA . CYS BA 1 42 ? 32.717 -8.436 28.570 1.0 31.07 ? 42 CYS BA CA 1 42 . B ATOM 3816 C C . CYS BA 1 42 ? 31.635 -7.470 28.370 1.0 31.97 ? 42 CYS BA C 1 42 . B ATOM 3817 O O . CYS BA 1 42 ? 31.885 -6.354 27.979 1.0 30.84 ? 42 CYS BA O 1 42 . B ATOM 3818 C CB . CYS BA 1 42 ? 33.415 -7.931 29.841 1.0 30.27 ? 42 CYS BA CB 1 42 . B ATOM 3819 S SG . CYS BA 1 42 ? 34.772 -8.955 30.534 1.0 31.37 ? 42 CYS BA SG 1 42 . B ATOM 3820 N N . VAL BA 1 43 ? 30.451 -7.869 28.765 1.0 33.8 ? 43 VAL BA N 1 43 . B ATOM 3821 C CA . VAL BA 1 43 ? 29.362 -6.951 28.773 1.0 38.95 ? 43 VAL BA CA 1 43 . B ATOM 3822 C C . VAL BA 1 43 ? 28.490 -7.144 30.096 1.0 47.68 ? 43 VAL BA C 1 43 . B ATOM 3823 O O . VAL BA 1 43 ? 28.918 -7.893 31.034 1.0 50.22 ? 43 VAL BA O 1 43 . B ATOM 3824 C CB . VAL BA 1 43 ? 28.652 -6.769 27.390 1.0 35.8 ? 43 VAL BA CB 1 43 . B ATOM 3825 C CG1 . VAL BA 1 43 ? 29.593 -6.336 26.365 1.0 35.33 ? 43 VAL BA CG1 1 43 . B ATOM 3826 C CG2 . VAL BA 1 43 ? 27.927 -7.987 26.929 1.0 35.21 ? 43 VAL BA CG2 1 43 . B ATOM 3827 N N . ALA BA 1 44 ? 27.349 -6.429 30.195 1.0 49.82 ? 44 ALA BA N 1 44 . B ATOM 3828 C CA . ALA BA 1 44 ? 26.385 -6.474 31.318 1.0 50.54 ? 44 ALA BA CA 1 44 . B ATOM 3829 C C . ALA BA 1 44 ? 25.147 -7.166 30.749 1.0 50.33 ? 44 ALA BA C 1 44 . B ATOM 3830 O O . ALA BA 1 44 ? 24.650 -8.149 31.295 1.0 50.97 ? 44 ALA BA O 1 44 . B ATOM 3831 C CB . ALA BA 1 44 ? 26.026 -5.038 31.761 1.0 50.32 ? 44 ALA BA CB 1 44 . B ATOM 3832 N N . THR BA 1 45 ? 24.699 -6.632 29.614 1.0 49.97 ? 45 THR BA N 1 45 . B ATOM 3833 C CA . THR BA 1 45 ? 23.579 -7.146 28.834 1.0 50.01 ? 45 THR BA CA 1 45 . B ATOM 3834 C C . THR BA 1 45 ? 23.969 -7.518 27.349 1.0 49.24 ? 45 THR BA C 1 45 . B ATOM 3835 O O . THR BA 1 45 ? 24.829 -6.863 26.719 1.0 49.68 ? 45 THR BA O 1 45 . B ATOM 3836 C CB . THR BA 1 45 ? 22.279 -6.338 29.141 1.0 49.64 ? 45 THR BA CB 1 45 . B ATOM 3837 O OG1 . THR BA 1 45 ? 21.754 -5.666 27.980 1.0 51.0 ? 45 THR BA OG1 1 45 . B ATOM 3838 C CG2 . THR BA 1 45 ? 22.587 -5.325 30.227 1.0 48.28 ? 45 THR BA CG2 1 45 . B ATOM 3839 N N . CYS BA 1 46 ? 23.447 -8.633 26.838 1.0 46.2 ? 46 CYS BA N 1 46 . B ATOM 3840 C CA . CYS BA 1 46 ? 23.810 -9.061 25.493 1.0 43.04 ? 46 CYS BA CA 1 46 . B ATOM 3841 C C . CYS BA 1 46 ? 23.369 -7.951 24.574 1.0 44.52 ? 46 CYS BA C 1 46 . B ATOM 3842 O O . CYS BA 1 46 ? 22.285 -7.378 24.761 1.0 45.42 ? 46 CYS BA O 1 46 . B ATOM 3843 C CB . CYS BA 1 46 ? 23.069 -10.321 25.122 1.0 39.54 ? 46 CYS BA CB 1 46 . B ATOM 3844 S SG . CYS BA 1 46 ? 23.383 -10.750 23.396 1.0 35.86 ? 46 CYS BA SG 1 46 . B ATOM 3845 N N . PRO BA 1 47 ? 24.211 -7.633 23.604 1.0 44.54 ? 47 PRO BA N 1 47 . B ATOM 3846 C CA . PRO BA 1 47 ? 23.955 -6.564 22.691 1.0 45.96 ? 47 PRO BA CA 1 47 . B ATOM 3847 C C . PRO BA 1 47 ? 22.791 -6.755 21.762 1.0 48.9 ? 47 PRO BA C 1 47 . B ATOM 3848 O O . PRO BA 1 47 ? 22.401 -7.888 21.419 1.0 50.46 ? 47 PRO BA O 1 47 . B ATOM 3849 C CB . PRO BA 1 47 ? 25.286 -6.450 21.954 1.0 44.35 ? 47 PRO BA CB 1 47 . B ATOM 3850 C CG . PRO BA 1 47 ? 26.247 -6.581 23.030 1.0 42.77 ? 47 PRO BA CG 1 47 . B ATOM 3851 C CD . PRO BA 1 47 ? 25.624 -7.605 23.990 1.0 44.63 ? 47 PRO BA CD 1 47 . B ATOM 3852 N N . GLN BA 1 48 ? 22.225 -5.629 21.376 1.0 50.58 ? 48 GLN BA N 1 48 . B ATOM 3853 C CA . GLN BA 1 48 ? 21.078 -5.694 20.520 1.0 54.57 ? 48 GLN BA CA 1 48 . B ATOM 3854 C C . GLN BA 1 48 ? 21.425 -6.208 19.128 1.0 52.95 ? 48 GLN BA C 1 48 . B ATOM 3855 O O . GLN BA 1 48 ? 22.424 -5.727 18.541 1.0 52.61 ? 48 GLN BA O 1 48 . B ATOM 3856 C CB . GLN BA 1 48 ? 20.350 -4.346 20.479 1.0 59.66 ? 48 GLN BA CB 1 48 . B ATOM 3857 C CG . GLN BA 1 48 ? 19.235 -4.220 21.531 1.0 64.39 ? 48 GLN BA CG 1 48 . B ATOM 3858 C CD . GLN BA 1 48 ? 18.488 -5.562 21.887 1.0 68.06 ? 48 GLN BA CD 1 48 . B ATOM 3859 O OE1 . GLN BA 1 48 ? 17.384 -5.854 21.357 1.0 68.25 ? 48 GLN BA OE1 1 48 . B ATOM 3860 N NE2 . GLN BA 1 48 ? 19.064 -6.346 22.833 1.0 69.34 ? 48 GLN BA NE2 1 48 . B ATOM 3861 N N . PHE BA 1 49 ? 20.638 -7.179 18.611 1.0 50.79 ? 49 PHE BA N 1 49 . B ATOM 3862 C CA . PHE BA 1 49 ? 20.951 -7.608 17.275 1.0 48.98 ? 49 PHE BA CA 1 49 . B ATOM 3863 C C . PHE BA 1 49 ? 20.904 -6.427 16.312 1.0 52.84 ? 49 PHE BA C 1 49 . B ATOM 3864 O O . PHE BA 1 49 ? 20.175 -5.417 16.480 1.0 51.84 ? 49 PHE BA O 1 49 . B ATOM 3865 C CB . PHE BA 1 49 ? 20.305 -8.859 16.739 1.0 44.15 ? 49 PHE BA CB 1 49 . B ATOM 3866 C CG . PHE BA 1 49 ? 21.023 -9.372 15.512 1.0 41.72 ? 49 PHE BA CG 1 49 . B ATOM 3867 C CD1 . PHE BA 1 49 ? 22.377 -9.670 15.578 1.0 40.87 ? 49 PHE BA CD1 1 49 . B ATOM 3868 C CD2 . PHE BA 1 49 ? 20.397 -9.458 14.275 1.0 39.52 ? 49 PHE BA CD2 1 49 . B ATOM 3869 C CE1 . PHE BA 1 49 ? 23.060 -10.120 14.469 1.0 38.59 ? 49 PHE BA CE1 1 49 . B ATOM 3870 C CE2 . PHE BA 1 49 ? 21.094 -9.911 13.153 1.0 36.19 ? 49 PHE BA CE2 1 49 . B ATOM 3871 C CZ . PHE BA 1 49 ? 22.418 -10.220 13.275 1.0 36.36 ? 49 PHE BA CZ 1 49 . B ATOM 3872 N N . ARG BA 1 50 ? 21.802 -6.492 15.357 1.0 56.12 ? 50 ARG BA N 1 50 . B ATOM 3873 C CA . ARG BA 1 50 ? 21.902 -5.388 14.461 1.0 59.09 ? 50 ARG BA CA 1 50 . B ATOM 3874 C C . ARG BA 1 50 ? 22.039 -6.000 13.086 1.0 59.28 ? 50 ARG BA C 1 50 . B ATOM 3875 O O . ARG BA 1 50 ? 22.896 -6.825 12.820 1.0 60.92 ? 50 ARG BA O 1 50 . B ATOM 3876 C CB . ARG BA 1 50 ? 23.070 -4.516 14.906 1.0 62.29 ? 50 ARG BA CB 1 50 . B ATOM 3877 C CG . ARG BA 1 50 ? 23.296 -3.354 14.072 1.0 66.79 ? 50 ARG BA CG 1 50 . B ATOM 3878 C CD . ARG BA 1 50 ? 22.000 -3.059 13.420 1.0 71.34 ? 50 ARG BA CD 1 50 . B ATOM 3879 N NE . ARG BA 1 50 ? 21.096 -2.538 14.422 1.0 75.49 ? 50 ARG BA NE 1 50 . B ATOM 3880 C CZ . ARG BA 1 50 ? 21.361 -1.415 15.086 1.0 78.81 ? 50 ARG BA CZ 1 50 . B ATOM 3881 N NH1 . ARG BA 1 50 ? 22.502 -0.755 14.831 1.0 79.36 ? 50 ARG BA NH1 1 50 . B ATOM 3882 N NH2 . ARG BA 1 50 ? 20.502 -0.942 15.992 1.0 79.91 ? 50 ARG BA NH2 1 50 . B ATOM 3883 N N . SER BA 1 51 ? 21.068 -5.647 12.266 1.0 58.04 ? 51 SER BA N 1 51 . B ATOM 3884 C CA . SER BA 1 51 ? 20.930 -6.060 10.892 1.0 57.4 ? 51 SER BA CA 1 51 . B ATOM 3885 C C . SER BA 1 51 ? 22.266 -6.227 10.161 1.0 54.55 ? 51 SER BA C 1 51 . B ATOM 3886 O O . SER BA 1 51 ? 22.588 -7.307 9.617 1.0 54.9 ? 51 SER BA O 1 51 . B ATOM 3887 C CB . SER BA 1 51 ? 20.165 -4.935 10.209 1.0 60.57 ? 51 SER BA CB 1 51 . B ATOM 3888 O OG . SER BA 1 51 ? 20.147 -3.785 11.044 1.0 62.61 ? 51 SER BA OG 1 51 . B ATOM 3889 N N . ASN BA 1 52 ? 23.038 -5.147 10.138 1.0 50.43 ? 52 ASN BA N 1 52 . B ATOM 3890 C CA . ASN BA 1 52 ? 24.320 -5.141 9.459 1.0 46.89 ? 52 ASN BA CA 1 52 . B ATOM 3891 C C . ASN BA 1 52 ? 25.385 -5.960 10.124 1.0 43.86 ? 52 ASN BA C 1 52 . B ATOM 3892 O O . ASN BA 1 52 ? 26.545 -5.563 10.072 1.0 45.05 ? 52 ASN BA O 1 52 . B ATOM 3893 C CB . ASN BA 1 52 ? 24.858 -3.723 9.411 1.0 47.85 ? 52 ASN BA CB 1 52 . B ATOM 3894 C CG . ASN BA 1 52 ? 24.690 -2.982 10.710 1.0 48.34 ? 52 ASN BA CG 1 52 . B ATOM 3895 O OD1 . ASN BA 1 52 ? 23.733 -2.219 10.862 1.0 48.77 ? 52 ASN BA OD1 1 52 . B ATOM 3896 N ND2 . ASN BA 1 52 ? 25.647 -3.161 11.642 1.0 47.58 ? 52 ASN BA ND2 1 52 . B ATOM 3897 N N . TYR BA 1 53 ? 25.026 -7.074 10.746 1.0 39.06 ? 53 TYR BA N 1 53 . B ATOM 3898 C CA . TYR BA 1 53 ? 26.022 -7.824 11.453 1.0 35.95 ? 53 TYR BA CA 1 53 . B ATOM 3899 C C . TYR BA 1 53 ? 26.133 -9.156 10.863 1.0 30.55 ? 53 TYR BA C 1 53 . B ATOM 3900 O O . TYR BA 1 53 ? 25.131 -9.782 10.728 1.0 29.1 ? 53 TYR BA O 1 53 . B ATOM 3901 C CB . TYR BA 1 53 ? 25.529 -8.056 12.872 1.0 39.02 ? 53 TYR BA CB 1 53 . B ATOM 3902 C CG . TYR BA 1 53 ? 25.731 -6.927 13.851 1.0 43.19 ? 53 TYR BA CG 1 53 . B ATOM 3903 C CD1 . TYR BA 1 53 ? 26.451 -5.797 13.526 1.0 44.39 ? 53 TYR BA CD1 1 53 . B ATOM 3904 C CD2 . TYR BA 1 53 ? 25.155 -6.992 15.143 1.0 47.29 ? 53 TYR BA CD2 1 53 . B ATOM 3905 C CE1 . TYR BA 1 53 ? 26.592 -4.748 14.462 1.0 47.16 ? 53 TYR BA CE1 1 53 . B ATOM 3906 C CE2 . TYR BA 1 53 ? 25.337 -5.971 16.100 1.0 47.93 ? 53 TYR BA CE2 1 53 . B ATOM 3907 C CZ . TYR BA 1 53 ? 26.029 -4.851 15.723 1.0 48.54 ? 53 TYR BA CZ 1 53 . B ATOM 3908 O OH . TYR BA 1 53 ? 26.187 -3.865 16.638 1.0 51.39 ? 53 TYR BA OH 1 53 . B ATOM 3909 N N . ARG BA 1 54 ? 27.338 -9.653 10.679 1.0 31.16 ? 54 ARG BA N 1 54 . B ATOM 3910 C CA . ARG BA 1 54 ? 27.532 -10.994 10.145 1.0 35.84 ? 54 ARG BA CA 1 54 . B ATOM 3911 C C . ARG BA 1 54 ? 27.164 -12.079 11.151 1.0 37.85 ? 54 ARG BA C 1 54 . B ATOM 3912 O O . ARG BA 1 54 ? 26.670 -13.168 10.763 1.0 38.65 ? 54 ARG BA O 1 54 . B ATOM 3913 C CB . ARG BA 1 54 ? 28.974 -11.201 9.636 1.0 38.98 ? 54 ARG BA CB 1 54 . B ATOM 3914 C CG . ARG BA 1 54 ? 29.407 -12.668 9.594 1.0 42.26 ? 54 ARG BA CG 1 54 . B ATOM 3915 C CD . ARG BA 1 54 ? 30.138 -12.948 8.294 1.0 47.21 ? 54 ARG BA CD 1 54 . B ATOM 3916 N NE . ARG BA 1 54 ? 29.888 -11.844 7.354 1.0 50.9 ? 54 ARG BA NE 1 54 . B ATOM 3917 C CZ . ARG BA 1 54 ? 30.103 -11.844 6.029 1.0 51.64 ? 54 ARG BA CZ 1 54 . B ATOM 3918 N NH1 . ARG BA 1 54 ? 30.617 -12.890 5.380 1.0 52.16 ? 54 ARG BA NH1 1 54 . B ATOM 3919 N NH2 . ARG BA 1 54 ? 29.803 -10.757 5.345 1.0 51.57 ? 54 ARG BA NH2 1 54 . B ATOM 3920 N N . SER BA 1 55 ? 27.496 -11.800 12.424 1.0 38.04 ? 55 SER BA N 1 55 . B ATOM 3921 C CA . SER BA 1 55 ? 27.245 -12.647 13.598 1.0 37.26 ? 55 SER BA CA 1 55 . B ATOM 3922 C C . SER BA 1 55 ? 27.320 -11.890 14.975 1.0 34.95 ? 55 SER BA C 1 55 . B ATOM 3923 O O . SER BA 1 55 ? 27.771 -10.744 15.063 1.0 31.76 ? 55 SER BA O 1 55 . B ATOM 3924 C CB . SER BA 1 55 ? 27.991 -14.002 13.552 1.0 39.59 ? 55 SER BA CB 1 55 . B ATOM 3925 O OG . SER BA 1 55 ? 29.416 -13.837 13.455 1.0 42.5 ? 55 SER BA OG 1 55 . B ATOM 3926 N N . LEU BA 1 56 ? 26.780 -12.510 16.027 1.0 33.22 ? 56 LEU BA N 1 56 . B ATOM 3927 C CA . LEU BA 1 56 ? 26.745 -11.947 17.372 1.0 29.72 ? 56 LEU BA CA 1 56 . B ATOM 3928 C C . LEU BA 1 56 ? 26.471 -13.151 18.241 1.0 28.94 ? 56 LEU BA C 1 56 . B ATOM 3929 O O . LEU BA 1 56 ? 25.400 -13.771 18.138 1.0 28.06 ? 56 LEU BA O 1 56 . B ATOM 3930 C CB . LEU BA 1 56 ? 25.579 -10.977 17.565 1.0 26.05 ? 56 LEU BA CB 1 56 . B ATOM 3931 C CG . LEU BA 1 56 ? 25.434 -10.374 18.971 1.0 22.63 ? 56 LEU BA CG 1 56 . B ATOM 3932 C CD1 . LEU BA 1 56 ? 26.443 -9.316 19.178 1.0 19.43 ? 56 LEU BA CD1 1 56 . B ATOM 3933 C CD2 . LEU BA 1 56 ? 24.054 -9.827 19.232 1.0 22.5 ? 56 LEU BA CD2 1 56 . B ATOM 3934 N N . LEU BA 1 57 ? 27.501 -13.490 19.009 1.0 27.72 ? 57 LEU BA N 1 57 . B ATOM 3935 C CA . LEU BA 1 57 ? 27.502 -14.603 19.951 1.0 25.81 ? 57 LEU BA CA 1 57 . B ATOM 3936 C C . LEU BA 1 57 ? 27.611 -13.996 21.356 1.0 29.06 ? 57 LEU BA C 1 57 . B ATOM 3937 O O . LEU BA 1 57 ? 28.544 -13.190 21.710 1.0 29.95 ? 57 LEU BA O 1 57 . B ATOM 3938 C CB . LEU BA 1 57 ? 28.653 -15.562 19.735 1.0 21.31 ? 57 LEU BA CB 1 57 . B ATOM 3939 C CG . LEU BA 1 57 ? 28.727 -16.502 20.931 1.0 18.49 ? 57 LEU BA CG 1 57 . B ATOM 3940 C CD1 . LEU BA 1 57 ? 27.789 -17.778 20.894 1.0 15.32 ? 57 LEU BA CD1 1 57 . B ATOM 3941 C CD2 . LEU BA 1 57 ? 30.188 -16.840 21.239 1.0 17.98 ? 57 LEU BA CD2 1 57 . B ATOM 3942 N N . CYS BA 1 58 ? 26.619 -14.401 22.140 1.0 28.42 ? 58 CYS BA N 1 58 . B ATOM 3943 C CA . CYS BA 1 58 ? 26.457 -14.001 23.521 1.0 26.33 ? 58 CYS BA CA 1 58 . B ATOM 3944 C C . CYS BA 1 58 ? 26.456 -15.307 24.373 1.0 22.19 ? 58 CYS BA C 1 58 . B ATOM 3945 O O . CYS BA 1 58 ? 25.537 -16.114 24.321 1.0 19.68 ? 58 CYS BA O 1 58 . B ATOM 3946 C CB . CYS BA 1 58 ? 25.127 -13.215 23.581 1.0 28.25 ? 58 CYS BA CB 1 58 . B ATOM 3947 S SG . CYS BA 1 58 ? 25.301 -11.394 23.502 1.0 29.49 ? 58 CYS BA SG 1 58 . B ATOM 3948 N N . CYS BA 1 59 ? 27.539 -15.591 25.074 1.0 23.37 ? 59 CYS BA N 1 59 . B ATOM 3949 C CA . CYS BA 1 59 ? 27.540 -16.766 25.963 1.0 26.51 ? 59 CYS BA CA 1 59 . B ATOM 3950 C C . CYS BA 1 59 ? 28.022 -16.393 27.461 1.0 27.5 ? 59 CYS BA C 1 59 . B ATOM 3951 O O . CYS BA 1 59 ? 28.731 -15.397 27.659 1.0 28.29 ? 59 CYS BA O 1 59 . B ATOM 3952 C CB . CYS BA 1 59 ? 28.355 -17.845 25.349 1.0 22.85 ? 59 CYS BA CB 1 59 . B ATOM 3953 S SG . CYS BA 1 59 ? 29.828 -16.953 25.043 1.0 24.28 ? 59 CYS BA SG 1 59 . B ATOM 3954 N N . THR BA 1 60 ? 27.616 -17.163 28.490 1.0 25.03 ? 60 THR BA N 1 60 . B ATOM 3955 C CA . THR BA 1 60 ? 27.997 -16.896 29.909 1.0 20.04 ? 60 THR BA CA 1 60 . B ATOM 3956 C C . THR BA 1 60 ? 28.834 -18.046 30.494 1.0 19.02 ? 60 THR BA C 1 60 . B ATOM 3957 O O . THR BA 1 60 ? 28.365 -18.880 31.259 1.0 18.98 ? 60 THR BA O 1 60 . B ATOM 3958 C CB . THR BA 1 60 ? 26.722 -16.820 30.634 1.0 18.99 ? 60 THR BA CB 1 60 . B ATOM 3959 O OG1 . THR BA 1 60 ? 26.060 -18.095 30.558 1.0 17.25 ? 60 THR BA OG1 1 60 . B ATOM 3960 C CG2 . THR BA 1 60 ? 25.865 -15.816 29.918 1.0 19.61 ? 60 THR BA CG2 1 60 . B ATOM 3961 N N . THR BA 1 61 ? 30.091 -18.107 30.105 1.0 16.76 ? 61 THR BA N 1 61 . B ATOM 3962 C CA . THR BA 1 61 ? 30.933 -19.205 30.479 1.0 18.3 ? 61 THR BA CA 1 61 . B ATOM 3963 C C . THR BA 1 61 ? 32.298 -18.656 30.174 1.0 18.81 ? 61 THR BA C 1 61 . B ATOM 3964 O O . THR BA 1 61 ? 32.414 -17.535 29.688 1.0 17.22 ? 61 THR BA O 1 61 . B ATOM 3965 C CB . THR BA 1 61 ? 30.586 -20.411 29.721 1.0 20.62 ? 61 THR BA CB 1 61 . B ATOM 3966 O OG1 . THR BA 1 61 ? 29.568 -21.141 30.399 1.0 21.28 ? 61 THR BA OG1 1 61 . B ATOM 3967 C CG2 . THR BA 1 61 ? 31.740 -21.263 29.612 1.0 24.31 ? 61 THR BA CG2 1 61 . B ATOM 3968 N N . ASP BA 1 62 ? 33.341 -19.275 30.672 1.0 20.3 ? 62 ASP BA N 1 62 . B ATOM 3969 C CA . ASP BA 1 62 ? 34.591 -18.567 30.603 1.0 26.48 ? 62 ASP BA CA 1 62 . B ATOM 3970 C C . ASP BA 1 62 ? 35.147 -18.552 29.212 1.0 27.19 ? 62 ASP BA C 1 62 . B ATOM 3971 O O . ASP BA 1 62 ? 35.002 -19.561 28.565 1.0 29.05 ? 62 ASP BA O 1 62 . B ATOM 3972 C CB . ASP BA 1 62 ? 35.622 -19.094 31.667 1.0 32.27 ? 62 ASP BA CB 1 62 . B ATOM 3973 C CG . ASP BA 1 62 ? 35.365 -18.581 33.181 1.0 32.79 ? 62 ASP BA CG 1 62 . B ATOM 3974 O OD1 . ASP BA 1 62 ? 34.443 -17.739 33.517 1.0 29.89 ? 62 ASP BA OD1 1 62 . B ATOM 3975 O OD2 . ASP BA 1 62 ? 36.168 -19.100 34.028 1.0 33.24 ? 62 ASP BA OD2 1 62 . B ATOM 3976 N N . ASN BA 1 63 ? 35.781 -17.452 28.793 1.0 27.72 ? 63 ASN BA N 1 63 . B ATOM 3977 C CA . ASN BA 1 63 ? 36.338 -17.305 27.432 1.0 31.98 ? 63 ASN BA CA 1 63 . B ATOM 3978 C C . ASN BA 1 63 ? 35.492 -18.047 26.323 1.0 28.17 ? 63 ASN BA C 1 63 . B ATOM 3979 O O . ASN BA 1 63 ? 35.998 -18.842 25.563 1.0 26.74 ? 63 ASN BA O 1 63 . B ATOM 3980 C CB . ASN BA 1 63 ? 37.790 -17.793 27.456 1.0 36.52 ? 63 ASN BA CB 1 63 . B ATOM 3981 C CG . ASN BA 1 63 ? 38.517 -17.318 28.704 1.0 39.26 ? 63 ASN BA CG 1 63 . B ATOM 3982 O OD1 . ASN BA 1 63 ? 39.722 -17.564 28.897 1.0 40.99 ? 63 ASN BA OD1 1 63 . B ATOM 3983 N ND2 . ASN BA 1 63 ? 37.765 -16.642 29.548 1.0 37.73 ? 63 ASN BA ND2 1 63 . B ATOM 3984 N N . CYS BA 1 64 ? 34.176 -17.905 26.361 1.0 24.72 ? 64 CYS BA N 1 64 . B ATOM 3985 C CA . CYS BA 1 64 ? 33.402 -18.672 25.461 1.0 25.94 ? 64 CYS BA CA 1 64 . B ATOM 3986 C C . CYS BA 1 64 ? 33.296 -17.910 24.108 1.0 26.94 ? 64 CYS BA C 1 64 . B ATOM 3987 O O . CYS BA 1 64 ? 33.226 -18.471 23.028 1.0 21.26 ? 64 CYS BA O 1 64 . B ATOM 3988 C CB . CYS BA 1 64 ? 32.045 -18.952 26.125 1.0 23.77 ? 64 CYS BA CB 1 64 . B ATOM 3989 S SG . CYS BA 1 64 ? 31.123 -17.468 26.527 1.0 24.03 ? 64 CYS BA SG 1 64 . B ATOM 3990 N N . ASN BA 1 65 ? 33.339 -16.602 24.243 1.0 30.77 ? 65 ASN BA N 1 65 . B ATOM 3991 C CA . ASN BA 1 65 ? 33.348 -15.743 23.098 1.0 31.77 ? 65 ASN BA CA 1 65 . B ATOM 3992 C C . ASN BA 1 65 ? 34.490 -16.040 22.136 1.0 34.0 ? 65 ASN BA C 1 65 . B ATOM 3993 O O . ASN BA 1 65 ? 35.472 -15.308 22.030 1.0 32.35 ? 65 ASN BA O 1 65 . B ATOM 3994 C CB . ASN BA 1 65 ? 33.264 -14.247 23.458 1.0 29.3 ? 65 ASN BA CB 1 65 . B ATOM 3995 C CG . ASN BA 1 65 ? 34.438 -13.744 24.236 1.0 26.79 ? 65 ASN BA CG 1 65 . B ATOM 3996 O OD1 . ASN BA 1 65 ? 35.171 -14.516 24.900 1.0 26.9 ? 65 ASN BA OD1 1 65 . B ATOM 3997 N ND2 . ASN BA 1 65 ? 34.604 -12.402 24.210 1.0 24.72 ? 65 ASN BA ND2 1 65 . B ATOM 3998 N N . HIS BA 1 66 ? 34.331 -17.134 21.399 1.0 36.58 ? 66 HIS BA N 1 66 . B ATOM 3999 C CA . HIS BA 1 66 ? 35.291 -17.422 20.368 1.0 38.26 ? 66 HIS BA CA 1 66 . B ATOM 4000 C C . HIS BA 1 66 ? 34.690 -18.201 19.237 1.0 41.64 ? 66 HIS BA C 1 66 . B ATOM 4001 O O . HIS BA 1 66 ? 35.469 -18.124 18.245 1.0 44.9 ? 66 HIS BA O 1 66 . B ATOM 4002 C CB . HIS BA 1 66 ? 36.532 -18.045 20.832 1.0 39.07 ? 66 HIS BA CB 1 66 . B ATOM 4003 C CG . HIS BA 1 66 ? 36.291 -19.340 21.492 1.0 43.4 ? 66 HIS BA CG 1 66 . B ATOM 4004 N ND1 . HIS BA 1 66 ? 35.103 -19.617 22.138 1.0 45.2 ? 66 HIS BA ND1 1 66 . B ATOM 4005 C CD2 . HIS BA 1 66 ? 37.070 -20.433 21.630 1.0 45.24 ? 66 HIS BA CD2 1 66 . B ATOM 4006 C CE1 . HIS BA 1 66 ? 35.154 -20.843 22.628 1.0 46.41 ? 66 HIS BA CE1 1 66 . B ATOM 4007 N NE2 . HIS BA 1 66 ? 36.341 -21.356 22.339 1.0 46.36 ? 66 HIS BA NE2 1 66 . B ATOM 4008 O OXT . HIS BA 1 66 ? 33.554 -18.783 19.387 1.0 39.81 ? 66 HIS BA OXT 1 66 . B ATOM 4009 N N . ARG BB 1 1 ? -5.654 35.262 34.342 1.0 28.42 ? 1 ARG BB N 1 1 . B ATOM 4010 C CA . ARG BB 1 1 ? -4.910 36.474 34.352 1.0 32.83 ? 1 ARG BB CA 1 1 . B ATOM 4011 C C . ARG BB 1 1 ? -5.917 37.380 33.787 1.0 36.65 ? 1 ARG BB C 1 1 . B ATOM 4012 O O . ARG BB 1 1 ? -7.109 37.243 34.064 1.0 41.47 ? 1 ARG BB O 1 1 . B ATOM 4013 C CB . ARG BB 1 1 ? -3.826 36.353 33.314 1.0 36.61 ? 1 ARG BB CB 1 1 . B ATOM 4014 C CG . ARG BB 1 1 ? -3.969 35.111 32.466 1.0 40.21 ? 1 ARG BB CG 1 1 . B ATOM 4015 C CD . ARG BB 1 1 ? -2.672 34.784 31.722 1.0 42.87 ? 1 ARG BB CD 1 1 . B ATOM 4016 N NE . ARG BB 1 1 ? -1.764 34.076 32.610 1.0 46.4 ? 1 ARG BB NE 1 1 . B ATOM 4017 C CZ . ARG BB 1 1 ? -1.008 34.693 33.530 1.0 48.43 ? 1 ARG BB CZ 1 1 . B ATOM 4018 N NH1 . ARG BB 1 1 ? -1.065 36.026 33.642 1.0 48.34 ? 1 ARG BB NH1 1 1 . B ATOM 4019 N NH2 . ARG BB 1 1 ? -0.205 33.994 34.339 1.0 49.01 ? 1 ARG BB NH2 1 1 . B ATOM 4020 N N . THR BB 1 2 ? -5.462 38.296 32.947 1.0 37.03 ? 2 THR BB N 1 2 . B ATOM 4021 C CA . THR BB 1 2 ? -6.363 39.171 32.240 1.0 35.87 ? 2 THR BB CA 1 2 . B ATOM 4022 C C . THR BB 1 2 ? -5.960 38.787 30.847 1.0 35.32 ? 2 THR BB C 1 2 . B ATOM 4023 O O . THR BB 1 2 ? -4.816 38.956 30.465 1.0 35.79 ? 2 THR BB O 1 2 . B ATOM 4024 C CB . THR BB 1 2 ? -5.973 40.614 32.300 1.0 37.99 ? 2 THR BB CB 1 2 . B ATOM 4025 O OG1 . THR BB 1 2 ? -5.918 41.066 33.654 1.0 39.65 ? 2 THR BB OG1 1 2 . B ATOM 4026 C CG2 . THR BB 1 2 ? -7.028 41.397 31.605 1.0 39.3 ? 2 THR BB CG2 1 2 . B ATOM 4027 N N . CYS BB 1 3 ? -6.875 38.273 30.052 1.0 34.38 ? 3 CYS BB N 1 3 . B ATOM 4028 C CA . CYS BB 1 3 ? -6.464 37.946 28.708 1.0 28.7 ? 3 CYS BB CA 1 3 . B ATOM 4029 C C . CYS BB 1 3 ? -7.293 38.768 27.805 1.0 25.41 ? 3 CYS BB C 1 3 . B ATOM 4030 O O . CYS BB 1 3 ? -8.414 39.063 28.162 1.0 22.04 ? 3 CYS BB O 1 3 . B ATOM 4031 C CB . CYS BB 1 3 ? -6.885 36.580 28.392 1.0 26.39 ? 3 CYS BB CB 1 3 . B ATOM 4032 S SG . CYS BB 1 3 ? -5.861 35.248 28.924 1.0 28.16 ? 3 CYS BB SG 1 3 . B ATOM 4033 N N . LEU BB 1 4 ? -6.765 38.993 26.585 1.0 27.65 ? 4 LEU BB N 1 4 . B ATOM 4034 C CA . LEU BB 1 4 ? -7.465 39.703 25.497 1.0 27.08 ? 4 LEU BB CA 1 4 . B ATOM 4035 C C . LEU BB 1 4 ? -8.697 38.966 25.030 1.0 24.06 ? 4 LEU BB C 1 4 . B ATOM 4036 O O . LEU BB 1 4 ? -8.718 37.776 25.101 1.0 21.79 ? 4 LEU BB O 1 4 . B ATOM 4037 C CB . LEU BB 1 4 ? -6.524 39.971 24.374 1.0 27.54 ? 4 LEU BB CB 1 4 . B ATOM 4038 C CG . LEU BB 1 4 ? -6.221 41.423 24.749 1.0 30.26 ? 4 LEU BB CG 1 4 . B ATOM 4039 C CD1 . LEU BB 1 4 ? -7.370 42.111 24.157 1.0 28.92 ? 4 LEU BB CD1 1 4 . B ATOM 4040 C CD2 . LEU BB 1 4 ? -6.235 41.721 26.284 1.0 30.78 ? 4 LEU BB CD2 1 4 . B ATOM 4041 N N . ILE BB 1 5 ? -9.748 39.665 24.651 1.0 26.01 ? 5 ILE BB N 1 5 . B ATOM 4042 C CA . ILE BB 1 5 ? -11.003 39.001 24.279 1.0 31.27 ? 5 ILE BB CA 1 5 . B ATOM 4043 C C . ILE BB 1 5 ? -11.526 39.221 22.849 1.0 34.09 ? 5 ILE BB C 1 5 . B ATOM 4044 O O . ILE BB 1 5 ? -11.683 40.334 22.364 1.0 31.79 ? 5 ILE BB O 1 5 . B ATOM 4045 C CB . ILE BB 1 5 ? -12.112 39.128 25.412 1.0 33.14 ? 5 ILE BB CB 1 5 . B ATOM 4046 C CG1 . ILE BB 1 5 ? -12.590 37.779 25.923 1.0 33.21 ? 5 ILE BB CG1 1 5 . B ATOM 4047 C CG2 . ILE BB 1 5 ? -13.176 40.167 25.163 1.0 34.55 ? 5 ILE BB CG2 1 5 . B ATOM 4048 C CD1 . ILE BB 1 5 ? -11.557 37.286 27.033 1.0 32.06 ? 5 ILE BB CD1 1 5 . B ATOM 4049 N N . SER BB 1 6 ? -11.780 38.113 22.179 1.0 39.64 ? 6 SER BB N 1 6 . B ATOM 4050 C CA . SER BB 1 6 ? -12.248 38.105 20.785 1.0 44.24 ? 6 SER BB CA 1 6 . B ATOM 4051 C C . SER BB 1 6 ? -12.919 39.212 19.972 1.0 46.33 ? 6 SER BB C 1 6 . B ATOM 4052 O O . SER BB 1 6 ? -12.349 39.657 18.959 1.0 51.01 ? 6 SER BB O 1 6 . B ATOM 4053 C CB . SER BB 1 6 ? -12.571 36.712 20.184 1.0 43.26 ? 6 SER BB CB 1 6 . B ATOM 4054 O OG . SER BB 1 6 ? -13.957 36.519 20.117 1.0 44.39 ? 6 SER BB OG 1 6 . B ATOM 4055 N N . PRO BB 1 7 ? -14.163 39.563 20.296 1.0 39.54 ? 7 PRO BB N 1 7 . B ATOM 4056 C CA . PRO BB 1 7 ? -14.910 40.515 19.431 1.0 34.1 ? 7 PRO BB CA 1 7 . B ATOM 4057 C C . PRO BB 1 7 ? -14.091 41.779 19.462 1.0 33.39 ? 7 PRO BB C 1 7 . B ATOM 4058 O O . PRO BB 1 7 ? -13.345 42.098 18.526 1.0 31.86 ? 7 PRO BB O 1 7 . B ATOM 4059 C CB . PRO BB 1 7 ? -16.292 40.609 20.057 1.0 31.46 ? 7 PRO BB CB 1 7 . B ATOM 4060 C CG . PRO BB 1 7 ? -16.369 39.286 20.926 1.0 34.47 ? 7 PRO BB CG 1 7 . B ATOM 4061 C CD . PRO BB 1 7 ? -14.941 39.077 21.447 1.0 36.16 ? 7 PRO BB CD 1 7 . B ATOM 4062 N N . SER BB 1 8 ? -14.005 42.361 20.645 1.0 33.55 ? 8 SER BB N 1 8 . B ATOM 4063 C CA . SER BB 1 8 ? -13.245 43.553 20.831 1.0 33.88 ? 8 SER BB CA 1 8 . B ATOM 4064 C C . SER BB 1 8 ? -11.811 43.589 21.359 1.0 36.48 ? 8 SER BB C 1 8 . B ATOM 4065 O O . SER BB 1 8 ? -11.142 44.660 21.353 1.0 38.95 ? 8 SER BB O 1 8 . B ATOM 4066 C CB . SER BB 1 8 ? -13.995 44.434 21.745 1.0 34.58 ? 8 SER BB CB 1 8 . B ATOM 4067 O OG . SER BB 1 8 ? -13.149 45.592 21.841 1.0 36.6 ? 8 SER BB OG 1 8 . B ATOM 4068 N N . SER BB 1 9 ? -11.323 42.484 21.883 1.0 36.11 ? 9 SER BB N 1 9 . B ATOM 4069 C CA . SER BB 1 9 ? -9.992 42.523 22.407 1.0 40.07 ? 9 SER BB CA 1 9 . B ATOM 4070 C C . SER BB 1 9 ? -9.825 43.531 23.518 1.0 40.49 ? 9 SER BB C 1 9 . B ATOM 4071 O O . SER BB 1 9 ? -8.900 44.335 23.502 1.0 41.75 ? 9 SER BB O 1 9 . B ATOM 4072 C CB . SER BB 1 9 ? -9.052 42.836 21.282 1.0 44.18 ? 9 SER BB CB 1 9 . B ATOM 4073 O OG . SER BB 1 9 ? -9.682 42.302 20.121 1.0 48.67 ? 9 SER BB OG 1 9 . B ATOM 4074 N N . THR BB 1 10 ? -10.630 43.412 24.547 1.0 39.04 ? 10 THR BB N 1 10 . B ATOM 4075 C CA . THR BB 1 10 ? -10.396 44.244 25.687 1.0 37.32 ? 10 THR BB CA 1 10 . B ATOM 4076 C C . THR BB 1 10 ? -9.988 43.148 26.606 1.0 32.97 ? 10 THR BB C 1 10 . B ATOM 4077 O O . THR BB 1 10 ? -10.467 42.063 26.502 1.0 30.56 ? 10 THR BB O 1 10 . B ATOM 4078 C CB . THR BB 1 10 ? -11.683 44.702 26.277 1.0 39.43 ? 10 THR BB CB 1 10 . B ATOM 4079 O OG1 . THR BB 1 10 ? -12.750 44.187 25.455 1.0 39.71 ? 10 THR BB OG1 1 10 . B ATOM 4080 C CG2 . THR BB 1 10 ? -11.711 46.281 26.374 1.0 40.44 ? 10 THR BB CG2 1 10 . B ATOM 4081 N N . PRO BB 1 11 ? -9.089 43.451 27.498 1.0 33.52 ? 11 PRO BB N 1 11 . B ATOM 4082 C CA . PRO BB 1 11 ? -8.664 42.552 28.553 1.0 33.27 ? 11 PRO BB CA 1 11 . B ATOM 4083 C C . PRO BB 1 11 ? -9.840 42.170 29.517 1.0 34.12 ? 11 PRO BB C 1 11 . B ATOM 4084 O O . PRO BB 1 11 ? -10.759 42.952 29.746 1.0 32.92 ? 11 PRO BB O 1 11 . B ATOM 4085 C CB . PRO BB 1 11 ? -7.679 43.427 29.326 1.0 33.21 ? 11 PRO BB CB 1 11 . B ATOM 4086 C CG . PRO BB 1 11 ? -7.743 44.927 28.642 1.0 33.66 ? 11 PRO BB CG 1 11 . B ATOM 4087 C CD . PRO BB 1 11 ? -8.987 44.880 27.856 1.0 34.6 ? 11 PRO BB CD 1 11 . B ATOM 4088 N N . GLN BB 1 12 ? -9.808 40.971 30.101 1.0 35.62 ? 12 GLN BB N 1 12 . B ATOM 4089 C CA . GLN BB 1 12 ? -10.842 40.528 31.027 1.0 36.01 ? 12 GLN BB CA 1 12 . B ATOM 4090 C C . GLN BB 1 12 ? -10.126 39.431 31.798 1.0 36.01 ? 12 GLN BB C 1 12 . B ATOM 4091 O O . GLN BB 1 12 ? -9.438 38.574 31.191 1.0 34.81 ? 12 GLN BB O 1 12 . B ATOM 4092 C CB . GLN BB 1 12 ? -12.086 39.988 30.322 1.0 38.01 ? 12 GLN BB CB 1 12 . B ATOM 4093 C CG . GLN BB 1 12 ? -13.261 39.555 31.243 1.0 40.97 ? 12 GLN BB CG 1 12 . B ATOM 4094 C CD . GLN BB 1 12 ? -14.156 40.718 31.769 1.0 42.0 ? 12 GLN BB CD 1 12 . B ATOM 4095 O OE1 . GLN BB 1 12 ? -14.174 41.821 31.226 1.0 43.62 ? 12 GLN BB OE1 1 12 . B ATOM 4096 N NE2 . GLN BB 1 12 ? -14.917 40.458 32.827 1.0 40.74 ? 12 GLN BB NE2 1 12 . B ATOM 4097 N N . THR BB 1 13 ? -10.234 39.513 33.142 1.0 34.8 ? 13 THR BB N 1 13 . B ATOM 4098 C CA . THR BB 1 13 ? -9.566 38.563 34.013 1.0 32.34 ? 13 THR BB CA 1 13 . B ATOM 4099 C C . THR BB 1 13 ? -10.204 37.234 33.934 1.0 24.81 ? 13 THR BB C 1 13 . B ATOM 4100 O O . THR BB 1 13 ? -11.448 37.077 34.097 1.0 22.61 ? 13 THR BB O 1 13 . B ATOM 4101 C CB . THR BB 1 13 ? -9.481 38.988 35.500 1.0 39.5 ? 13 THR BB CB 1 13 . B ATOM 4102 O OG1 . THR BB 1 13 ? -9.812 37.856 36.348 1.0 41.77 ? 13 THR BB OG1 1 13 . B ATOM 4103 C CG2 . THR BB 1 13 ? -10.379 40.249 35.792 1.0 39.7 ? 13 THR BB CG2 1 13 . B ATOM 4104 N N . CYS BB 1 14 ? -9.351 36.267 33.658 1.0 21.65 ? 14 CYS BB N 1 14 . B ATOM 4105 C CA . CYS BB 1 14 ? -9.874 34.958 33.546 1.0 26.99 ? 14 CYS BB CA 1 14 . B ATOM 4106 C C . CYS BB 1 14 ? -10.597 34.544 34.818 1.0 34.68 ? 14 CYS BB C 1 14 . B ATOM 4107 O O . CYS BB 1 14 ? -10.299 34.997 35.931 1.0 36.38 ? 14 CYS BB O 1 14 . B ATOM 4108 C CB . CYS BB 1 14 ? -8.779 34.006 33.213 1.0 28.89 ? 14 CYS BB CB 1 14 . B ATOM 4109 S SG . CYS BB 1 14 ? -7.932 34.344 31.602 1.0 32.27 ? 14 CYS BB SG 1 14 . B ATOM 4110 N N . PRO BB 1 15 ? -11.625 33.745 34.624 1.0 39.23 ? 15 PRO BB N 1 15 . B ATOM 4111 C CA . PRO BB 1 15 ? -12.363 33.231 35.713 1.0 41.76 ? 15 PRO BB CA 1 15 . B ATOM 4112 C C . PRO BB 1 15 ? -11.302 32.441 36.396 1.0 44.19 ? 15 PRO BB C 1 15 . B ATOM 4113 O O . PRO BB 1 15 ? -10.539 31.712 35.752 1.0 42.16 ? 15 PRO BB O 1 15 . B ATOM 4114 C CB . PRO BB 1 15 ? -13.385 32.376 35.002 1.0 41.88 ? 15 PRO BB CB 1 15 . B ATOM 4115 C CG . PRO BB 1 15 ? -13.705 33.294 33.762 1.0 40.85 ? 15 PRO BB CG 1 15 . B ATOM 4116 C CD . PRO BB 1 15 ? -12.574 34.313 33.665 1.0 40.02 ? 15 PRO BB CD 1 15 . B ATOM 4117 N N . ASN BB 1 16 ? -11.200 32.751 37.698 1.0 47.52 ? 16 ASN BB N 1 16 . B ATOM 4118 C CA . ASN BB 1 16 ? -10.256 32.155 38.629 1.0 48.19 ? 16 ASN BB CA 1 16 . B ATOM 4119 C C . ASN BB 1 16 ? -9.956 30.691 38.262 1.0 48.66 ? 16 ASN BB C 1 16 . B ATOM 4120 O O . ASN BB 1 16 ? -10.885 29.892 38.209 1.0 48.17 ? 16 ASN BB O 1 16 . B ATOM 4121 C CB . ASN BB 1 16 ? -10.841 32.240 40.041 1.0 46.92 ? 16 ASN BB CB 1 16 . B ATOM 4122 C CG . ASN BB 1 16 ? -10.540 30.993 40.858 1.0 45.5 ? 16 ASN BB CG 1 16 . B ATOM 4123 O OD1 . ASN BB 1 16 ? -9.384 30.699 41.254 1.0 43.78 ? 16 ASN BB OD1 1 16 . B ATOM 4124 N ND2 . ASN BB 1 16 ? -11.579 30.232 41.112 1.0 46.37 ? 16 ASN BB ND2 1 16 . B ATOM 4125 N N . GLY BB 1 17 ? -8.690 30.364 37.980 1.0 49.14 ? 17 GLY BB N 1 17 . B ATOM 4126 C CA . GLY BB 1 17 ? -8.360 29.014 37.582 1.0 50.07 ? 17 GLY BB CA 1 17 . B ATOM 4127 C C . GLY BB 1 17 ? -8.052 28.921 36.058 1.0 51.9 ? 17 GLY BB C 1 17 . B ATOM 4128 O O . GLY BB 1 17 ? -7.596 27.849 35.596 1.0 53.86 ? 17 GLY BB O 1 17 . B ATOM 4129 N N . GLN BB 1 18 ? -8.299 29.977 35.259 1.0 49.2 ? 18 GLN BB N 1 18 . B ATOM 4130 C CA . GLN BB 1 18 ? -7.999 29.911 33.781 1.0 46.6 ? 18 GLN BB CA 1 18 . B ATOM 4131 C C . GLN BB 1 18 ? -6.835 30.859 33.568 1.0 43.5 ? 18 GLN BB C 1 18 . B ATOM 4132 O O . GLN BB 1 18 ? -7.007 32.044 33.640 1.0 41.54 ? 18 GLN BB O 1 18 . B ATOM 4133 C CB . GLN BB 1 18 ? -9.157 30.454 32.951 1.0 46.67 ? 18 GLN BB CB 1 18 . B ATOM 4134 C CG . GLN BB 1 18 ? -10.070 29.421 32.279 1.0 45.89 ? 18 GLN BB CG 1 18 . B ATOM 4135 C CD . GLN BB 1 18 ? -11.520 29.878 32.396 1.0 45.36 ? 18 GLN BB CD 1 18 . B ATOM 4136 O OE1 . GLN BB 1 18 ? -11.776 31.083 32.448 1.0 45.04 ? 18 GLN BB OE1 1 18 . B ATOM 4137 N NE2 . GLN BB 1 18 ? -12.441 28.911 32.482 1.0 44.05 ? 18 GLN BB NE2 1 18 . B ATOM 4138 N N . ASP BB 1 19 ? -5.638 30.354 33.340 1.0 41.59 ? 19 ASP BB N 1 19 . B ATOM 4139 C CA . ASP BB 1 19 ? -4.426 31.177 33.306 1.0 41.54 ? 19 ASP BB CA 1 19 . B ATOM 4140 C C . ASP BB 1 19 ? -3.724 31.410 31.990 1.0 34.69 ? 19 ASP BB C 1 19 . B ATOM 4141 O O . ASP BB 1 19 ? -2.700 32.055 31.896 1.0 31.84 ? 19 ASP BB O 1 19 . B ATOM 4142 C CB . ASP BB 1 19 ? -3.430 30.364 34.105 1.0 48.18 ? 19 ASP BB CB 1 19 . B ATOM 4143 C CG . ASP BB 1 19 ? -3.613 28.845 33.858 1.0 54.38 ? 19 ASP BB CG 1 19 . B ATOM 4144 O OD1 . ASP BB 1 19 ? -4.599 28.398 33.155 1.0 54.23 ? 19 ASP BB OD1 1 19 . B ATOM 4145 O OD2 . ASP BB 1 19 ? -2.764 28.073 34.393 1.0 57.63 ? 19 ASP BB OD2 1 19 . B ATOM 4146 N N . ILE BB 1 20 ? -4.214 30.760 30.984 1.0 32.49 ? 20 ILE BB N 1 20 . B ATOM 4147 C CA . ILE BB 1 20 ? -3.572 30.894 29.760 1.0 32.55 ? 20 ILE BB CA 1 20 . B ATOM 4148 C C . ILE BB 1 20 ? -4.592 31.488 28.879 1.0 34.82 ? 20 ILE BB C 1 20 . B ATOM 4149 O O . ILE BB 1 20 ? -5.776 31.216 28.953 1.0 34.62 ? 20 ILE BB O 1 20 . B ATOM 4150 C CB . ILE BB 1 20 ? -3.258 29.572 29.322 1.0 31.72 ? 20 ILE BB CB 1 20 . B ATOM 4151 C CG1 . ILE BB 1 20 ? -3.513 29.436 27.851 1.0 30.1 ? 20 ILE BB CG1 1 20 . B ATOM 4152 C CG2 . ILE BB 1 20 ? -4.082 28.638 30.082 1.0 32.22 ? 20 ILE BB CG2 1 20 . B ATOM 4153 C CD1 . ILE BB 1 20 ? -2.489 28.391 27.257 1.0 28.09 ? 20 ILE BB CD1 1 20 . B ATOM 4154 N N . CYS BB 1 21 ? -4.079 32.411 28.100 1.0 37.35 ? 21 CYS BB N 1 21 . B ATOM 4155 C CA . CYS BB 1 21 ? -4.803 33.147 27.071 1.0 36.02 ? 21 CYS BB CA 1 21 . B ATOM 4156 C C . CYS BB 1 21 ? -4.573 32.483 25.707 1.0 35.35 ? 21 CYS BB C 1 21 . B ATOM 4157 O O . CYS BB 1 21 ? -3.489 31.974 25.462 1.0 36.73 ? 21 CYS BB O 1 21 . B ATOM 4158 C CB . CYS BB 1 21 ? -3.961 34.383 26.915 1.0 32.81 ? 21 CYS BB CB 1 21 . B ATOM 4159 S SG . CYS BB 1 21 ? -3.922 35.403 28.382 1.0 28.97 ? 21 CYS BB SG 1 21 . B ATOM 4160 N N . PHE BB 1 22 ? -5.479 32.571 24.754 1.0 33.91 ? 22 PHE BB N 1 22 . B ATOM 4161 C CA . PHE BB 1 22 ? -5.102 32.044 23.424 1.0 32.26 ? 22 PHE BB CA 1 22 . B ATOM 4162 C C . PHE BB 1 22 ? -5.685 32.966 22.392 1.0 30.87 ? 22 PHE BB C 1 22 . B ATOM 4163 O O . PHE BB 1 22 ? -6.686 33.675 22.632 1.0 29.37 ? 22 PHE BB O 1 22 . B ATOM 4164 C CB . PHE BB 1 22 ? -5.771 30.757 23.097 1.0 32.47 ? 22 PHE BB CB 1 22 . B ATOM 4165 C CG . PHE BB 1 22 ? -7.283 30.871 23.139 1.0 35.07 ? 22 PHE BB CG 1 22 . B ATOM 4166 C CD1 . PHE BB 1 22 ? -7.944 31.041 24.349 1.0 34.95 ? 22 PHE BB CD1 1 22 . B ATOM 4167 C CD2 . PHE BB 1 22 ? -8.042 30.760 22.001 1.0 36.92 ? 22 PHE BB CD2 1 22 . B ATOM 4168 C CE1 . PHE BB 1 22 ? -9.289 31.085 24.431 1.0 34.59 ? 22 PHE BB CE1 1 22 . B ATOM 4169 C CE2 . PHE BB 1 22 ? -9.412 30.822 22.095 1.0 36.52 ? 22 PHE BB CE2 1 22 . B ATOM 4170 C CZ . PHE BB 1 22 ? -10.014 31.007 23.317 1.0 35.85 ? 22 PHE BB CZ 1 22 . B ATOM 4171 N N . LEU BB 1 23 ? -5.090 32.851 21.213 1.0 30.74 ? 23 LEU BB N 1 23 . B ATOM 4172 C CA . LEU BB 1 23 ? -5.541 33.526 19.966 1.0 27.29 ? 23 LEU BB CA 1 23 . B ATOM 4173 C C . LEU BB 1 23 ? -5.647 32.403 18.940 1.0 25.52 ? 23 LEU BB C 1 23 . B ATOM 4174 O O . LEU BB 1 23 ? -4.667 31.670 18.670 1.0 22.6 ? 23 LEU BB O 1 23 . B ATOM 4175 C CB . LEU BB 1 23 ? -4.508 34.551 19.430 1.0 25.56 ? 23 LEU BB CB 1 23 . B ATOM 4176 C CG . LEU BB 1 23 ? -5.024 35.658 18.500 1.0 23.85 ? 23 LEU BB CG 1 23 . B ATOM 4177 C CD1 . LEU BB 1 23 ? -3.851 36.536 18.376 1.0 22.98 ? 23 LEU BB CD1 1 23 . B ATOM 4178 C CD2 . LEU BB 1 23 ? -5.417 35.126 17.111 1.0 24.3 ? 23 LEU BB CD2 1 23 . B ATOM 4179 N N . LYS BB 1 24 ? -6.847 32.243 18.397 1.0 27.01 ? 24 LYS BB N 1 24 . B ATOM 4180 C CA . LYS BB 1 24 ? -7.090 31.288 17.334 1.0 26.28 ? 24 LYS BB CA 1 24 . B ATOM 4181 C C . LYS BB 1 24 ? -7.488 32.084 16.039 1.0 26.95 ? 24 LYS BB C 1 24 . B ATOM 4182 O O . LYS BB 1 24 ? -7.923 33.270 16.039 1.0 26.03 ? 24 LYS BB O 1 24 . B ATOM 4183 C CB . LYS BB 1 24 ? -8.129 30.301 17.792 1.0 26.95 ? 24 LYS BB CB 1 24 . B ATOM 4184 C CG . LYS BB 1 24 ? -8.451 29.250 16.726 1.0 30.49 ? 24 LYS BB CG 1 24 . B ATOM 4185 C CD . LYS BB 1 24 ? -9.684 28.332 17.064 1.0 31.66 ? 24 LYS BB CD 1 24 . B ATOM 4186 C CE . LYS BB 1 24 ? -9.879 28.143 18.648 1.0 32.47 ? 24 LYS BB CE 1 24 . B ATOM 4187 N NZ . LYS BB 1 24 ? -10.844 27.030 19.131 1.0 30.96 ? 24 LYS BB NZ 1 24 . B ATOM 4188 N N . ALA BB 1 25 ? -7.282 31.446 14.905 1.0 27.73 ? 25 ALA BB N 1 25 . B ATOM 4189 C CA . ALA BB 1 25 ? -7.582 32.059 13.594 1.0 24.88 ? 25 ALA BB CA 1 25 . B ATOM 4190 C C . ALA BB 1 25 ? -7.678 30.933 12.657 1.0 24.8 ? 25 ALA BB C 1 25 . B ATOM 4191 O O . ALA BB 1 25 ? -6.694 30.225 12.484 1.0 22.94 ? 25 ALA BB O 1 25 . B ATOM 4192 C CB . ALA BB 1 25 ? -6.456 32.918 13.094 1.0 21.86 ? 25 ALA BB CB 1 25 . B ATOM 4193 N N . GLN BB 1 26 ? -8.853 30.771 12.050 1.0 26.57 ? 26 GLN BB N 1 26 . B ATOM 4194 C CA . GLN BB 1 26 ? -9.066 29.799 10.998 1.0 26.91 ? 26 GLN BB CA 1 26 . B ATOM 4195 C C . GLN BB 1 26 ? -9.712 30.546 9.830 1.0 29.25 ? 26 GLN BB C 1 26 . B ATOM 4196 O O . GLN BB 1 26 ? -10.209 31.678 9.992 1.0 32.63 ? 26 GLN BB O 1 26 . B ATOM 4197 C CB . GLN BB 1 26 ? -9.888 28.601 11.431 1.0 26.82 ? 26 GLN BB CB 1 26 . B ATOM 4198 C CG . GLN BB 1 26 ? -11.105 28.794 12.366 1.0 29.13 ? 26 GLN BB CG 1 26 . B ATOM 4199 C CD . GLN BB 1 26 ? -11.812 27.440 12.666 1.0 32.93 ? 26 GLN BB CD 1 26 . B ATOM 4200 O OE1 . GLN BB 1 26 ? -11.465 26.386 12.093 1.0 33.78 ? 26 GLN BB OE1 1 26 . B ATOM 4201 N NE2 . GLN BB 1 26 ? -12.794 27.464 13.576 1.0 35.78 ? 26 GLN BB NE2 1 26 . B ATOM 4202 N N . CYS BB 1 27 ? -9.758 29.951 8.651 1.0 25.17 ? 27 CYS BB N 1 27 . B ATOM 4203 C CA . CYS BB 1 27 ? -10.449 30.662 7.577 1.0 24.13 ? 27 CYS BB CA 1 27 . B ATOM 4204 C C . CYS BB 1 27 ? -11.821 30.076 7.403 1.0 20.33 ? 27 CYS BB C 1 27 . B ATOM 4205 O O . CYS BB 1 27 ? -11.992 28.887 7.629 1.0 17.91 ? 27 CYS BB O 1 27 . B ATOM 4206 C CB . CYS BB 1 27 ? -9.739 30.344 6.253 1.0 26.62 ? 27 CYS BB CB 1 27 . B ATOM 4207 S SG . CYS BB 1 27 ? -8.407 31.473 5.927 1.0 29.35 ? 27 CYS BB SG 1 27 . B ATOM 4208 N N . ASP BB 1 28 ? -12.764 30.858 6.895 1.0 20.35 ? 28 ASP BB N 1 28 . B ATOM 4209 C CA . ASP BB 1 28 ? -14.049 30.288 6.502 1.0 25.53 ? 28 ASP BB CA 1 28 . B ATOM 4210 C C . ASP BB 1 28 ? -14.132 30.805 5.053 1.0 33.21 ? 28 ASP BB C 1 28 . B ATOM 4211 O O . ASP BB 1 28 ? -13.171 31.399 4.553 1.0 33.98 ? 28 ASP BB O 1 28 . B ATOM 4212 C CB . ASP BB 1 28 ? -15.184 30.920 7.309 1.0 23.35 ? 28 ASP BB CB 1 28 . B ATOM 4213 C CG . ASP BB 1 28 ? -15.130 32.346 7.253 1.0 22.15 ? 28 ASP BB CG 1 28 . B ATOM 4214 O OD1 . ASP BB 1 28 ? -14.010 32.884 7.075 1.0 20.64 ? 28 ASP BB OD1 1 28 . B ATOM 4215 O OD2 . ASP BB 1 28 ? -16.193 32.909 7.375 1.0 25.21 ? 28 ASP BB OD2 1 28 . B ATOM 4216 N N . LYS BB 1 29 ? -15.288 30.661 4.392 1.0 39.79 ? 29 LYS BB N 1 29 . B ATOM 4217 C CA . LYS BB 1 29 ? -15.529 31.123 2.991 1.0 41.3 ? 29 LYS BB CA 1 29 . B ATOM 4218 C C . LYS BB 1 29 ? -15.208 32.599 2.828 1.0 46.49 ? 29 LYS BB C 1 29 . B ATOM 4219 O O . LYS BB 1 29 ? -14.650 33.011 1.815 1.0 46.9 ? 29 LYS BB O 1 29 . B ATOM 4220 C CB . LYS BB 1 29 ? -17.018 31.021 2.599 1.0 40.13 ? 29 LYS BB CB 1 29 . B ATOM 4221 C CG . LYS BB 1 29 ? -17.628 29.669 2.079 1.0 37.1 ? 29 LYS BB CG 1 29 . B ATOM 4222 C CD . LYS BB 1 29 ? -16.629 28.514 1.993 1.0 35.35 ? 29 LYS BB CD 1 29 . B ATOM 4223 C CE . LYS BB 1 29 ? -17.280 27.382 1.204 1.0 35.42 ? 29 LYS BB CE 1 29 . B ATOM 4224 N NZ . LYS BB 1 29 ? -16.766 25.972 1.506 1.0 36.93 ? 29 LYS BB NZ 1 29 . B ATOM 4225 N N . PHE BB 1 30 ? -15.634 33.440 3.762 1.0 51.25 ? 30 PHE BB N 1 30 . B ATOM 4226 C CA . PHE BB 1 30 ? -15.300 34.833 3.528 1.0 54.97 ? 30 PHE BB CA 1 30 . B ATOM 4227 C C . PHE BB 1 30 ? -13.870 35.001 3.963 1.0 52.42 ? 30 PHE BB C 1 30 . B ATOM 4228 O O . PHE BB 1 30 ? -13.562 36.135 4.403 1.0 54.44 ? 30 PHE BB O 1 30 . B ATOM 4229 C CB . PHE BB 1 30 ? -16.085 35.899 4.324 1.0 62.24 ? 30 PHE BB CB 1 30 . B ATOM 4230 C CG . PHE BB 1 30 ? -17.588 35.952 4.057 1.0 69.92 ? 30 PHE BB CG 1 30 . B ATOM 4231 C CD1 . PHE BB 1 30 ? -18.145 36.259 2.788 1.0 72.81 ? 30 PHE BB CD1 1 30 . B ATOM 4232 C CD2 . PHE BB 1 30 ? -18.470 35.842 5.118 1.0 72.19 ? 30 PHE BB CD2 1 30 . B ATOM 4233 C CE1 . PHE BB 1 30 ? -19.582 36.291 2.593 1.0 72.98 ? 30 PHE BB CE1 1 30 . B ATOM 4234 C CE2 . PHE BB 1 30 ? -19.882 35.940 4.928 1.0 72.66 ? 30 PHE BB CE2 1 30 . B ATOM 4235 C CZ . PHE BB 1 30 ? -20.438 36.174 3.668 1.0 72.57 ? 30 PHE BB CZ 1 30 . B ATOM 4236 N N . CYS BB 1 31 ? -13.004 33.966 3.882 1.0 46.81 ? 31 CYS BB N 1 31 . B ATOM 4237 C CA . CYS BB 1 31 ? -11.601 34.194 4.302 1.0 44.72 ? 31 CYS BB CA 1 31 . B ATOM 4238 C C . CYS BB 1 31 ? -10.774 35.148 3.401 1.0 49.87 ? 31 CYS BB C 1 31 . B ATOM 4239 O O . CYS BB 1 31 ? -9.545 35.289 3.612 1.0 50.1 ? 31 CYS BB O 1 31 . B ATOM 4240 C CB . CYS BB 1 31 ? -10.796 32.922 4.698 1.0 38.46 ? 31 CYS BB CB 1 31 . B ATOM 4241 S SG . CYS BB 1 31 ? -9.365 33.249 5.832 1.0 32.08 ? 31 CYS BB SG 1 31 . B ATOM 4242 N N . SER BB 1 32 ? -11.470 35.749 2.399 1.0 52.97 ? 32 SER BB N 1 32 . B ATOM 4243 C CA . SER BB 1 32 ? -10.993 36.669 1.329 1.0 52.26 ? 32 SER BB CA 1 32 . B ATOM 4244 C C . SER BB 1 32 ? -11.776 37.989 1.265 1.0 51.54 ? 32 SER BB C 1 32 . B ATOM 4245 O O . SER BB 1 32 ? -11.379 38.912 0.588 1.0 52.8 ? 32 SER BB O 1 32 . B ATOM 4246 C CB . SER BB 1 32 ? -11.182 35.999 -0.028 1.0 54.38 ? 32 SER BB CB 1 32 . B ATOM 4247 O OG . SER BB 1 32 ? -12.469 36.275 -0.585 1.0 55.31 ? 32 SER BB OG 1 32 . B ATOM 4248 N N . ILE BB 1 33 ? -12.904 38.058 1.949 1.0 50.75 ? 33 ILE BB N 1 33 . B ATOM 4249 C CA . ILE BB 1 33 ? -13.757 39.251 2.009 1.0 50.74 ? 33 ILE BB CA 1 33 . B ATOM 4250 C C . ILE BB 1 33 ? -13.448 39.904 3.371 1.0 52.01 ? 33 ILE BB C 1 33 . B ATOM 4251 O O . ILE BB 1 33 ? -13.629 41.131 3.562 1.0 51.97 ? 33 ILE BB O 1 33 . B ATOM 4252 C CB . ILE BB 1 33 ? -15.297 38.821 1.911 1.0 49.29 ? 33 ILE BB CB 1 33 . B ATOM 4253 C CG1 . ILE BB 1 33 ? -15.671 38.584 0.449 1.0 48.72 ? 33 ILE BB CG1 1 33 . B ATOM 4254 C CG2 . ILE BB 1 33 ? -16.300 39.736 2.677 1.0 47.84 ? 33 ILE BB CG2 1 33 . B ATOM 4255 C CD1 . ILE BB 1 33 ? -14.478 38.182 -0.443 1.0 47.79 ? 33 ILE BB CD1 1 33 . B ATOM 4256 N N . ARG BB 1 34 ? -12.949 39.074 4.303 1.0 51.46 ? 34 ARG BB N 1 34 . B ATOM 4257 C CA . ARG BB 1 34 ? -12.637 39.550 5.650 1.0 49.65 ? 34 ARG BB CA 1 34 . B ATOM 4258 C C . ARG BB 1 34 ? -11.348 39.019 6.282 1.0 44.6 ? 34 ARG BB C 1 34 . B ATOM 4259 O O . ARG BB 1 34 ? -10.641 39.706 7.047 1.0 47.26 ? 34 ARG BB O 1 34 . B ATOM 4260 C CB . ARG BB 1 34 ? -13.845 39.241 6.577 1.0 50.94 ? 34 ARG BB CB 1 34 . B ATOM 4261 C CG . ARG BB 1 34 ? -13.506 38.909 8.067 1.0 48.19 ? 34 ARG BB CG 1 34 . B ATOM 4262 C CD . ARG BB 1 34 ? -13.870 37.496 8.400 1.0 44.2 ? 34 ARG BB CD 1 34 . B ATOM 4263 N NE . ARG BB 1 34 ? -15.290 37.312 8.261 1.0 43.79 ? 34 ARG BB NE 1 34 . B ATOM 4264 C CZ . ARG BB 1 34 ? -15.855 36.113 8.187 1.0 47.43 ? 34 ARG BB CZ 1 34 . B ATOM 4265 N NH1 . ARG BB 1 34 ? -15.128 34.996 8.216 1.0 49.24 ? 34 ARG BB NH1 1 34 . B ATOM 4266 N NH2 . ARG BB 1 34 ? -17.156 36.006 8.033 1.0 49.07 ? 34 ARG BB NH2 1 34 . B ATOM 4267 N N . GLY BB 1 35 ? -11.044 37.779 6.005 1.0 36.88 ? 35 GLY BB N 1 35 . B ATOM 4268 C CA . GLY BB 1 35 ? -9.885 37.281 6.663 1.0 33.47 ? 35 GLY BB CA 1 35 . B ATOM 4269 C C . GLY BB 1 35 ? -10.431 36.206 7.552 1.0 31.07 ? 35 GLY BB C 1 35 . B ATOM 4270 O O . GLY BB 1 35 ? -11.630 35.864 7.605 1.0 31.31 ? 35 GLY BB O 1 35 . B ATOM 4271 N N . PRO BB 1 36 ? -9.522 35.593 8.236 1.0 30.07 ? 36 PRO BB N 1 36 . B ATOM 4272 C CA . PRO BB 1 36 ? -9.932 34.528 9.127 1.0 31.28 ? 36 PRO BB CA 1 36 . B ATOM 4273 C C . PRO BB 1 36 ? -10.708 35.049 10.323 1.0 32.29 ? 36 PRO BB C 1 36 . B ATOM 4274 O O . PRO BB 1 36 ? -10.606 36.256 10.778 1.0 31.8 ? 36 PRO BB O 1 36 . B ATOM 4275 C CB . PRO BB 1 36 ? -8.600 33.900 9.581 1.0 32.1 ? 36 PRO BB CB 1 36 . B ATOM 4276 C CG . PRO BB 1 36 ? -7.531 35.011 9.373 1.0 31.65 ? 36 PRO BB CG 1 36 . B ATOM 4277 C CD . PRO BB 1 36 ? -8.242 36.204 8.590 1.0 30.57 ? 36 PRO BB CD 1 36 . B ATOM 4278 N N . VAL BB 1 37 ? -11.491 34.100 10.821 1.0 32.92 ? 37 VAL BB N 1 37 . B ATOM 4279 C CA . VAL BB 1 37 ? -12.264 34.275 12.039 1.0 34.18 ? 37 VAL BB CA 1 37 . B ATOM 4280 C C . VAL BB 1 37 ? -11.232 34.274 13.197 1.0 33.24 ? 37 VAL BB C 1 37 . B ATOM 4281 O O . VAL BB 1 37 ? -10.460 33.328 13.388 1.0 32.06 ? 37 VAL BB O 1 37 . B ATOM 4282 C CB . VAL BB 1 37 ? -13.122 33.054 12.236 1.0 36.87 ? 37 VAL BB CB 1 37 . B ATOM 4283 C CG1 . VAL BB 1 37 ? -14.243 33.378 13.145 1.0 38.72 ? 37 VAL BB CG1 1 37 . B ATOM 4284 C CG2 . VAL BB 1 37 ? -13.574 32.485 10.901 1.0 36.04 ? 37 VAL BB CG2 1 37 . B ATOM 4285 N N . ILE BB 1 38 ? -11.185 35.354 13.953 1.0 34.12 ? 38 ILE BB N 1 38 . B ATOM 4286 C CA . ILE BB 1 38 ? -10.238 35.417 15.050 1.0 34.84 ? 38 ILE BB CA 1 38 . B ATOM 4287 C C . ILE BB 1 38 ? -10.974 35.405 16.387 1.0 35.76 ? 38 ILE BB C 1 38 . B ATOM 4288 O O . ILE BB 1 38 ? -11.820 36.270 16.674 1.0 36.5 ? 38 ILE BB O 1 38 . B ATOM 4289 C CB . ILE BB 1 38 ? -9.387 36.619 14.918 1.0 33.36 ? 38 ILE BB CB 1 38 . B ATOM 4290 C CG1 . ILE BB 1 38 ? -8.194 36.239 14.096 1.0 32.58 ? 38 ILE BB CG1 1 38 . B ATOM 4291 C CG2 . ILE BB 1 38 ? -9.017 37.232 16.251 1.0 34.36 ? 38 ILE BB CG2 1 38 . B ATOM 4292 C CD1 . ILE BB 1 38 ? -7.618 37.453 13.515 1.0 31.72 ? 38 ILE BB CD1 1 38 . B ATOM 4293 N N . GLU BB 1 39 ? -10.663 34.374 17.160 1.0 34.55 ? 39 GLU BB N 1 39 . B ATOM 4294 C CA . GLU BB 1 39 ? -11.238 34.175 18.488 1.0 32.88 ? 39 GLU BB CA 1 39 . B ATOM 4295 C C . GLU BB 1 39 ? -10.087 34.198 19.588 1.0 30.32 ? 39 GLU BB C 1 39 . B ATOM 4296 O O . GLU BB 1 39 ? -9.096 33.455 19.494 1.0 29.11 ? 39 GLU BB O 1 39 . B ATOM 4297 C CB . GLU BB 1 39 ? -11.990 32.858 18.448 1.0 32.37 ? 39 GLU BB CB 1 39 . B ATOM 4298 C CG . GLU BB 1 39 ? -12.119 32.272 19.781 1.0 36.39 ? 39 GLU BB CG 1 39 . B ATOM 4299 C CD . GLU BB 1 39 ? -12.602 30.863 19.769 1.0 39.11 ? 39 GLU BB CD 1 39 . B ATOM 4300 O OE1 . GLU BB 1 39 ? -11.831 29.998 19.304 1.0 40.28 ? 39 GLU BB OE1 1 39 . B ATOM 4301 O OE2 . GLU BB 1 39 ? -13.731 30.613 20.260 1.0 40.29 ? 39 GLU BB OE2 1 39 . B ATOM 4302 N N . GLN BB 1 40 ? -10.156 35.095 20.574 1.0 29.78 ? 40 GLN BB N 1 40 . B ATOM 4303 C CA . GLN BB 1 40 ? -9.100 35.152 21.632 1.0 28.2 ? 40 GLN BB CA 1 40 . B ATOM 4304 C C . GLN BB 1 40 ? -9.646 35.237 23.028 1.0 31.31 ? 40 GLN BB C 1 40 . B ATOM 4305 O O . GLN BB 1 40 ? -10.506 36.068 23.304 1.0 31.49 ? 40 GLN BB O 1 40 . B ATOM 4306 C CB . GLN BB 1 40 ? -8.222 36.345 21.488 1.0 23.23 ? 40 GLN BB CB 1 40 . B ATOM 4307 C CG . GLN BB 1 40 ? -9.010 37.510 21.434 1.0 21.48 ? 40 GLN BB CG 1 40 . B ATOM 4308 C CD . GLN BB 1 40 ? -8.240 38.502 20.697 1.0 23.38 ? 40 GLN BB CD 1 40 . B ATOM 4309 O OE1 . GLN BB 1 40 ? -8.807 39.465 20.144 1.0 27.19 ? 40 GLN BB OE1 1 40 . B ATOM 4310 N NE2 . GLN BB 1 40 ? -6.937 38.287 20.638 1.0 19.36 ? 40 GLN BB NE2 1 40 . B ATOM 4311 N N . GLY BB 1 41 ? -9.136 34.388 23.910 1.0 34.04 ? 41 GLY BB N 1 41 . B ATOM 4312 C CA . GLY BB 1 41 ? -9.587 34.407 25.310 1.0 34.9 ? 41 GLY BB CA 1 41 . B ATOM 4313 C C . GLY BB 1 41 ? -8.809 33.680 26.445 1.0 32.87 ? 41 GLY BB C 1 41 . B ATOM 4314 O O . GLY BB 1 41 ? -7.560 33.541 26.430 1.0 31.21 ? 41 GLY BB O 1 41 . B ATOM 4315 N N . CYS BB 1 42 ? -9.597 33.227 27.426 1.0 31.15 ? 42 CYS BB N 1 42 . B ATOM 4316 C CA . CYS BB 1 42 ? -9.053 32.552 28.570 1.0 31.07 ? 42 CYS BB CA 1 42 . B ATOM 4317 C C . CYS BB 1 42 ? -9.348 31.132 28.370 1.0 31.97 ? 42 CYS BB C 1 42 . B ATOM 4318 O O . CYS BB 1 42 ? -10.440 30.790 27.979 1.0 30.84 ? 42 CYS BB O 1 42 . B ATOM 4319 C CB . CYS BB 1 42 ? -9.839 32.904 29.841 1.0 30.27 ? 42 CYS BB CB 1 42 . B ATOM 4320 S SG . CYS BB 1 42 ? -9.631 34.591 30.534 1.0 31.37 ? 42 CYS BB SG 1 42 . B ATOM 4321 N N . VAL BB 1 43 ? -8.411 30.306 28.765 1.0 33.8 ? 43 VAL BB N 1 43 . B ATOM 4322 C CA . VAL BB 1 43 ? -8.661 28.904 28.773 1.0 38.95 ? 43 VAL BB CA 1 43 . B ATOM 4323 C C . VAL BB 1 43 ? -8.058 28.245 30.096 1.0 47.68 ? 43 VAL BB C 1 43 . B ATOM 4324 O O . VAL BB 1 43 ? -7.624 28.990 31.034 1.0 50.22 ? 43 VAL BB O 1 43 . B ATOM 4325 C CB . VAL BB 1 43 ? -8.464 28.198 27.390 1.0 35.8 ? 43 VAL BB CB 1 43 . B ATOM 4326 C CG1 . VAL BB 1 43 ? -9.309 28.796 26.365 1.0 35.33 ? 43 VAL BB CG1 1 43 . B ATOM 4327 C CG2 . VAL BB 1 43 ? -7.046 28.179 26.929 1.0 35.21 ? 43 VAL BB CG2 1 43 . B ATOM 4328 N N . ALA BB 1 44 ? -8.107 26.900 30.195 1.0 49.82 ? 44 ALA BB N 1 44 . B ATOM 4329 C CA . ALA BB 1 44 ? -7.586 26.087 31.318 1.0 50.54 ? 44 ALA BB CA 1 44 . B ATOM 4330 C C . ALA BB 1 44 ? -6.367 25.361 30.749 1.0 50.33 ? 44 ALA BB C 1 44 . B ATOM 4331 O O . ALA BB 1 44 ? -5.268 25.422 31.295 1.0 50.97 ? 44 ALA BB O 1 44 . B ATOM 4332 C CB . ALA BB 1 44 ? -8.650 25.058 31.761 1.0 50.32 ? 44 ALA BB CB 1 44 . B ATOM 4333 N N . THR BB 1 45 ? -6.606 24.706 29.614 1.0 49.97 ? 45 THR BB N 1 45 . B ATOM 4334 C CA . THR BB 1 45 ? -5.601 23.993 28.834 1.0 50.01 ? 45 THR BB CA 1 45 . B ATOM 4335 C C . THR BB 1 45 ? -5.474 24.517 27.349 1.0 49.24 ? 45 THR BB C 1 45 . B ATOM 4336 O O . THR BB 1 45 ? -6.471 24.934 26.719 1.0 49.68 ? 45 THR BB O 1 45 . B ATOM 4337 C CB . THR BB 1 45 ? -5.651 22.463 29.141 1.0 49.64 ? 45 THR BB CB 1 45 . B ATOM 4338 O OG1 . THR BB 1 45 ? -5.970 21.673 27.980 1.0 51.0 ? 45 THR BB OG1 1 45 . B ATOM 4339 C CG2 . THR BB 1 45 ? -6.682 22.224 30.227 1.0 48.28 ? 45 THR BB CG2 1 45 . B ATOM 4340 N N . CYS BB 1 46 ? -4.247 24.622 26.838 1.0 46.2 ? 46 CYS BB N 1 46 . B ATOM 4341 C CA . CYS BB 1 46 ? -4.058 25.151 25.493 1.0 43.04 ? 46 CYS BB CA 1 46 . B ATOM 4342 C C . CYS BB 1 46 ? -4.799 24.214 24.574 1.0 44.52 ? 46 CYS BB C 1 46 . B ATOM 4343 O O . CYS BB 1 46 ? -4.753 22.988 24.761 1.0 45.42 ? 46 CYS BB O 1 46 . B ATOM 4344 C CB . CYS BB 1 46 ? -2.596 25.139 25.122 1.0 39.54 ? 46 CYS BB CB 1 46 . B ATOM 4345 S SG . CYS BB 1 46 ? -2.382 25.625 23.396 1.0 35.86 ? 46 CYS BB SG 1 46 . B ATOM 4346 N N . PRO BB 1 47 ? -5.495 24.784 23.604 1.0 44.54 ? 47 PRO BB N 1 47 . B ATOM 4347 C CA . PRO BB 1 47 ? -6.293 24.028 22.691 1.0 45.96 ? 47 PRO BB CA 1 47 . B ATOM 4348 C C . PRO BB 1 47 ? -5.545 23.115 21.762 1.0 48.9 ? 47 PRO BB C 1 47 . B ATOM 4349 O O . PRO BB 1 47 ? -4.369 23.344 21.419 1.0 50.46 ? 47 PRO BB O 1 47 . B ATOM 4350 C CB . PRO BB 1 47 ? -7.057 25.123 21.954 1.0 44.35 ? 47 PRO BB CB 1 47 . B ATOM 4351 C CG . PRO BB 1 47 ? -7.424 26.021 23.030 1.0 42.77 ? 47 PRO BB CG 1 47 . B ATOM 4352 C CD . PRO BB 1 47 ? -6.226 25.994 23.990 1.0 44.63 ? 47 PRO BB CD 1 47 . B ATOM 4353 N N . GLN BB 1 48 ? -6.238 22.062 21.376 1.0 50.58 ? 48 GLN BB N 1 48 . B ATOM 4354 C CA . GLN BB 1 48 ? -5.608 21.101 20.520 1.0 54.57 ? 48 GLN BB CA 1 48 . B ATOM 4355 C C . GLN BB 1 48 ? -5.336 21.659 19.128 1.0 52.95 ? 48 GLN BB C 1 48 . B ATOM 4356 O O . GLN BB 1 48 ? -6.252 22.283 18.541 1.0 52.61 ? 48 GLN BB O 1 48 . B ATOM 4357 C CB . GLN BB 1 48 ? -6.411 19.797 20.479 1.0 59.66 ? 48 GLN BB CB 1 48 . B ATOM 4358 C CG . GLN BB 1 48 ? -5.963 18.768 21.531 1.0 64.39 ? 48 GLN BB CG 1 48 . B ATOM 4359 C CD . GLN BB 1 48 ? -4.427 18.792 21.887 1.0 68.06 ? 48 GLN BB CD 1 48 . B ATOM 4360 O OE1 . GLN BB 1 48 ? -3.622 17.982 21.357 1.0 68.25 ? 48 GLN BB OE1 1 48 . B ATOM 4361 N NE2 . GLN BB 1 48 ? -4.036 19.683 22.833 1.0 69.34 ? 48 GLN BB NE2 1 48 . B ATOM 4362 N N . PHE BB 1 49 ? -4.102 21.463 18.611 1.0 50.79 ? 49 PHE BB N 1 49 . B ATOM 4363 C CA . PHE BB 1 49 ? -3.887 21.948 17.275 1.0 48.98 ? 49 PHE BB CA 1 49 . B ATOM 4364 C C . PHE BB 1 49 ? -4.886 21.317 16.312 1.0 52.84 ? 49 PHE BB C 1 49 . B ATOM 4365 O O . PHE BB 1 49 ? -5.396 20.181 16.480 1.0 51.84 ? 49 PHE BB O 1 49 . B ATOM 4366 C CB . PHE BB 1 49 ? -2.480 22.014 16.739 1.0 44.15 ? 49 PHE BB CB 1 49 . B ATOM 4367 C CG . PHE BB 1 49 ? -2.395 22.892 15.512 1.0 41.72 ? 49 PHE BB CG 1 49 . B ATOM 4368 C CD1 . PHE BB 1 49 ? -2.814 24.214 15.578 1.0 40.87 ? 49 PHE BB CD1 1 49 . B ATOM 4369 C CD2 . PHE BB 1 49 ? -2.008 22.393 14.275 1.0 39.52 ? 49 PHE BB CD2 1 49 . B ATOM 4370 C CE1 . PHE BB 1 49 ? -2.766 25.031 14.469 1.0 38.59 ? 49 PHE BB CE1 1 49 . B ATOM 4371 C CE2 . PHE BB 1 49 ? -1.964 23.223 13.153 1.0 36.19 ? 49 PHE BB CE2 1 49 . B ATOM 4372 C CZ . PHE BB 1 49 ? -2.358 24.524 13.275 1.0 36.36 ? 49 PHE BB CZ 1 49 . B ATOM 4373 N N . ARG BB 1 50 ? -5.279 22.127 15.357 1.0 56.12 ? 50 ARG BB N 1 50 . B ATOM 4374 C CA . ARG BB 1 50 ? -6.285 21.662 14.461 1.0 59.09 ? 50 ARG BB CA 1 50 . B ATOM 4375 C C . ARG BB 1 50 ? -5.823 22.086 13.086 1.0 59.28 ? 50 ARG BB C 1 50 . B ATOM 4376 O O . ARG BB 1 50 ? -5.537 23.241 12.820 1.0 60.92 ? 50 ARG BB O 1 50 . B ATOM 4377 C CB . ARG BB 1 50 ? -7.624 22.237 14.906 1.0 62.29 ? 50 ARG BB CB 1 50 . B ATOM 4378 C CG . ARG BB 1 50 ? -8.743 21.852 14.072 1.0 66.79 ? 50 ARG BB CG 1 50 . B ATOM 4379 C CD . ARG BB 1 50 ? -8.351 20.582 13.420 1.0 71.34 ? 50 ARG BB CD 1 50 . B ATOM 4380 N NE . ARG BB 1 50 ? -8.350 19.539 14.422 1.0 75.49 ? 50 ARG BB NE 1 50 . B ATOM 4381 C CZ . ARG BB 1 50 ? -9.455 19.207 15.086 1.0 78.81 ? 50 ARG BB CZ 1 50 . B ATOM 4382 N NH1 . ARG BB 1 50 ? -10.597 19.865 14.831 1.0 79.36 ? 50 ARG BB NH1 1 50 . B ATOM 4383 N NH2 . ARG BB 1 50 ? -9.435 18.226 15.992 1.0 79.91 ? 50 ARG BB NH2 1 50 . B ATOM 4384 N N . SER BB 1 51 ? -5.644 21.069 12.266 1.0 58.04 ? 51 SER BB N 1 51 . B ATOM 4385 C CA . SER BB 1 51 ? -5.217 21.156 10.892 1.0 57.4 ? 51 SER BB CA 1 51 . B ATOM 4386 C C . SER BB 1 51 ? -5.740 22.396 10.161 1.0 54.55 ? 51 SER BB C 1 51 . B ATOM 4387 O O . SER BB 1 51 ? -4.966 23.215 9.617 1.0 54.9 ? 51 SER BB O 1 51 . B ATOM 4388 C CB . SER BB 1 51 ? -5.809 19.931 10.209 1.0 60.57 ? 51 SER BB CB 1 51 . B ATOM 4389 O OG . SER BB 1 51 ? -6.796 19.340 11.044 1.0 62.61 ? 51 SER BB OG 1 51 . B ATOM 4390 N N . ASN BB 1 52 ? -7.062 22.525 10.138 1.0 50.43 ? 52 ASN BB N 1 52 . B ATOM 4391 C CA . ASN BB 1 52 ? -7.708 23.632 9.459 1.0 46.89 ? 52 ASN BB CA 1 52 . B ATOM 4392 C C . ASN BB 1 52 ? -7.531 24.964 10.124 1.0 43.86 ? 52 ASN BB C 1 52 . B ATOM 4393 O O . ASN BB 1 52 ? -8.455 25.770 10.072 1.0 45.05 ? 52 ASN BB O 1 52 . B ATOM 4394 C CB . ASN BB 1 52 ? -9.205 23.389 9.411 1.0 47.85 ? 52 ASN BB CB 1 52 . B ATOM 4395 C CG . ASN BB 1 52 ? -9.763 22.873 10.710 1.0 48.34 ? 52 ASN BB CG 1 52 . B ATOM 4396 O OD1 . ASN BB 1 52 ? -9.945 21.663 10.862 1.0 48.77 ? 52 ASN BB OD1 1 52 . B ATOM 4397 N ND2 . ASN BB 1 52 ? -10.086 23.791 11.642 1.0 47.58 ? 52 ASN BB ND2 1 52 . B ATOM 4398 N N . TYR BB 1 53 ? -6.387 25.210 10.746 1.0 39.06 ? 53 TYR BB N 1 53 . B ATOM 4399 C CA . TYR BB 1 53 ? -6.235 26.448 11.453 1.0 35.95 ? 53 TYR BB CA 1 53 . B ATOM 4400 C C . TYR BB 1 53 ? -5.137 27.210 10.863 1.0 30.55 ? 53 TYR BB C 1 53 . B ATOM 4401 O O . TYR BB 1 53 ? -4.094 26.655 10.728 1.0 29.1 ? 53 TYR BB O 1 53 . B ATOM 4402 C CB . TYR BB 1 53 ? -5.788 26.137 12.872 1.0 39.02 ? 53 TYR BB CB 1 53 . B ATOM 4403 C CG . TYR BB 1 53 ? -6.867 25.747 13.851 1.0 43.19 ? 53 TYR BB CG 1 53 . B ATOM 4404 C CD1 . TYR BB 1 53 ? -8.205 25.806 13.526 1.0 44.39 ? 53 TYR BB CD1 1 53 . B ATOM 4405 C CD2 . TYR BB 1 53 ? -6.522 25.281 15.143 1.0 47.29 ? 53 TYR BB CD2 1 53 . B ATOM 4406 C CE1 . TYR BB 1 53 ? -9.184 25.403 14.462 1.0 47.16 ? 53 TYR BB CE1 1 53 . B ATOM 4407 C CE2 . TYR BB 1 53 ? -7.498 24.928 16.100 1.0 47.93 ? 53 TYR BB CE2 1 53 . B ATOM 4408 C CZ . TYR BB 1 53 ? -8.813 24.967 15.723 1.0 48.54 ? 53 TYR BB CZ 1 53 . B ATOM 4409 O OH . TYR BB 1 53 ? -9.746 24.611 16.638 1.0 51.39 ? 53 TYR BB OH 1 53 . B ATOM 4410 N N . ARG BB 1 54 ? -5.309 28.502 10.679 1.0 31.16 ? 54 ARG BB N 1 54 . B ATOM 4411 C CA . ARG BB 1 54 ? -4.245 29.340 10.145 1.0 35.84 ? 54 ARG BB CA 1 54 . B ATOM 4412 C C . ARG BB 1 54 ? -3.121 29.564 11.151 1.0 37.85 ? 54 ARG BB C 1 54 . B ATOM 4413 O O . ARG BB 1 54 ? -1.931 29.681 10.763 1.0 38.65 ? 54 ARG BB O 1 54 . B ATOM 4414 C CB . ARG BB 1 54 ? -4.787 30.693 9.636 1.0 38.98 ? 54 ARG BB CB 1 54 . B ATOM 4415 C CG . ARG BB 1 54 ? -3.733 31.801 9.594 1.0 42.26 ? 54 ARG BB CG 1 54 . B ATOM 4416 C CD . ARG BB 1 54 ? -3.856 32.574 8.294 1.0 47.21 ? 54 ARG BB CD 1 54 . B ATOM 4417 N NE . ARG BB 1 54 ? -4.687 31.806 7.354 1.0 50.9 ? 54 ARG BB NE 1 54 . B ATOM 4418 C CZ . ARG BB 1 54 ? -4.794 31.992 6.029 1.0 51.64 ? 54 ARG BB CZ 1 54 . B ATOM 4419 N NH1 . ARG BB 1 54 ? -4.145 32.960 5.380 1.0 52.16 ? 54 ARG BB NH1 1 54 . B ATOM 4420 N NH2 . ARG BB 1 54 ? -5.586 31.189 5.345 1.0 51.57 ? 54 ARG BB NH2 1 54 . B ATOM 4421 N N . SER BB 1 55 ? -3.529 29.712 12.424 1.0 38.04 ? 55 SER BB N 1 55 . B ATOM 4422 C CA . SER BB 1 55 ? -2.670 29.918 13.598 1.0 37.26 ? 55 SER BB CA 1 55 . B ATOM 4423 C C . SER BB 1 55 ? -3.363 29.605 14.975 1.0 34.95 ? 55 SER BB C 1 55 . B ATOM 4424 O O . SER BB 1 55 ? -4.581 29.423 15.063 1.0 31.76 ? 55 SER BB O 1 55 . B ATOM 4425 C CB . SER BB 1 55 ? -1.869 31.242 13.552 1.0 39.59 ? 55 SER BB CB 1 55 . B ATOM 4426 O OG . SER BB 1 55 ? -2.725 32.394 13.455 1.0 42.5 ? 55 SER BB OG 1 55 . B ATOM 4427 N N . LEU BB 1 56 ? -2.556 29.447 16.027 1.0 33.22 ? 56 LEU BB N 1 56 . B ATOM 4428 C CA . LEU BB 1 56 ? -3.026 29.135 17.372 1.0 29.72 ? 56 LEU BB CA 1 56 . B ATOM 4429 C C . LEU BB 1 56 ? -1.847 29.500 18.241 1.0 28.94 ? 56 LEU BB C 1 56 . B ATOM 4430 O O . LEU BB 1 56 ? -0.774 28.882 18.138 1.0 28.06 ? 56 LEU BB O 1 56 . B ATOM 4431 C CB . LEU BB 1 56 ? -3.283 27.640 17.565 1.0 26.05 ? 56 LEU BB CB 1 56 . B ATOM 4432 C CG . LEU BB 1 56 ? -3.733 27.214 18.971 1.0 22.63 ? 56 LEU BB CG 1 56 . B ATOM 4433 C CD1 . LEU BB 1 56 ? -5.154 27.558 19.178 1.0 19.43 ? 56 LEU BB CD1 1 56 . B ATOM 4434 C CD2 . LEU BB 1 56 ? -3.516 25.745 19.232 1.0 22.5 ? 56 LEU BB CD2 1 56 . B ATOM 4435 N N . LEU BB 1 57 ? -2.068 30.562 19.009 1.0 27.72 ? 57 LEU BB N 1 57 . B ATOM 4436 C CA . LEU BB 1 57 ? -1.104 31.119 19.951 1.0 25.81 ? 57 LEU BB CA 1 57 . B ATOM 4437 C C . LEU BB 1 57 ? -1.684 30.910 21.356 1.0 29.06 ? 57 LEU BB C 1 57 . B ATOM 4438 O O . LEU BB 1 57 ? -2.849 31.315 21.710 1.0 29.95 ? 57 LEU BB O 1 57 . B ATOM 4439 C CB . LEU BB 1 57 ? -0.849 32.595 19.735 1.0 21.31 ? 57 LEU BB CB 1 57 . B ATOM 4440 C CG . LEU BB 1 57 ? -0.072 33.129 20.931 1.0 18.49 ? 57 LEU BB CG 1 57 . B ATOM 4441 C CD1 . LEU BB 1 57 ? 1.502 32.955 20.894 1.0 15.32 ? 57 LEU BB CD1 1 57 . B ATOM 4442 C CD2 . LEU BB 1 57 ? -0.510 34.564 21.239 1.0 17.98 ? 57 LEU BB CD2 1 57 . B ATOM 4443 N N . CYS BB 1 58 ? -0.838 30.253 22.140 1.0 28.42 ? 58 CYS BB N 1 58 . B ATOM 4444 C CA . CYS BB 1 58 ? -1.103 29.913 23.521 1.0 26.33 ? 58 CYS BB CA 1 58 . B ATOM 4445 C C . CYS BB 1 58 ? 0.028 30.565 24.373 1.0 22.19 ? 58 CYS BB C 1 58 . B ATOM 4446 O O . CYS BB 1 58 ? 1.187 30.173 24.321 1.0 19.68 ? 58 CYS BB O 1 58 . B ATOM 4447 C CB . CYS BB 1 58 ? -1.119 28.368 23.581 1.0 28.25 ? 58 CYS BB CB 1 58 . B ATOM 4448 S SG . CYS BB 1 58 ? -2.783 27.608 23.502 1.0 29.49 ? 58 CYS BB SG 1 58 . B ATOM 4449 N N . CYS BB 1 59 ? -0.267 31.645 25.074 1.0 23.37 ? 59 CYS BB N 1 59 . B ATOM 4450 C CA . CYS BB 1 59 ? 0.750 32.233 25.963 1.0 26.51 ? 59 CYS BB CA 1 59 . B ATOM 4451 C C . CYS BB 1 59 ? 0.186 32.464 27.461 1.0 27.5 ? 59 CYS BB C 1 59 . B ATOM 4452 O O . CYS BB 1 59 ? -1.031 32.580 27.659 1.0 28.29 ? 59 CYS BB O 1 59 . B ATOM 4453 C CB . CYS BB 1 59 ? 1.277 33.479 25.349 1.0 22.85 ? 59 CYS BB CB 1 59 . B ATOM 4454 S SG . CYS BB 1 59 ? -0.232 34.308 25.043 1.0 24.28 ? 59 CYS BB SG 1 59 . B ATOM 4455 N N . THR BB 1 60 ? 1.056 32.498 28.490 1.0 25.03 ? 60 THR BB N 1 60 . B ATOM 4456 C CA . THR BB 1 60 ? 0.634 32.694 29.909 1.0 20.04 ? 60 THR BB CA 1 60 . B ATOM 4457 C C . THR BB 1 60 ? 1.211 33.994 30.494 1.0 19.02 ? 60 THR BB C 1 60 . B ATOM 4458 O O . THR BB 1 60 ? 2.168 34.005 31.259 1.0 18.98 ? 60 THR BB O 1 60 . B ATOM 4459 C CB . THR BB 1 60 ? 1.206 31.552 30.634 1.0 18.99 ? 60 THR BB CB 1 60 . B ATOM 4460 O OG1 . THR BB 1 60 ? 2.641 31.616 30.558 1.0 17.25 ? 60 THR BB OG1 1 60 . B ATOM 4461 C CG2 . THR BB 1 60 ? 0.765 30.308 29.918 1.0 19.61 ? 60 THR BB CG2 1 60 . B ATOM 4462 N N . THR BB 1 61 ? 0.636 35.113 30.105 1.0 16.76 ? 61 THR BB N 1 61 . B ATOM 4463 C CA . THR BB 1 61 ? 1.165 36.391 30.479 1.0 18.3 ? 61 THR BB CA 1 61 . B ATOM 4464 C C . THR BB 1 61 ? 0.008 37.299 30.174 1.0 18.81 ? 61 THR BB C 1 61 . B ATOM 4465 O O . THR BB 1 61 ? -1.021 36.839 29.688 1.0 17.22 ? 61 THR BB O 1 61 . B ATOM 4466 C CB . THR BB 1 61 ? 2.384 36.694 29.721 1.0 20.62 ? 61 THR BB CB 1 61 . B ATOM 4467 O OG1 . THR BB 1 61 ? 3.524 36.177 30.399 1.0 21.28 ? 61 THR BB OG1 1 61 . B ATOM 4468 C CG2 . THR BB 1 61 ? 2.544 38.119 29.612 1.0 24.31 ? 61 THR BB CG2 1 61 . B ATOM 4469 N N . ASP BB 1 62 ? 0.022 38.512 30.672 1.0 20.3 ? 62 ASP BB N 1 62 . B ATOM 4470 C CA . ASP BB 1 62 ? -1.216 39.240 30.603 1.0 26.48 ? 62 ASP BB CA 1 62 . B ATOM 4471 C C . ASP BB 1 62 ? -1.507 39.714 29.212 1.0 27.19 ? 62 ASP BB C 1 62 . B ATOM 4472 O O . ASP BB 1 62 ? -0.561 40.093 28.565 1.0 29.05 ? 62 ASP BB O 1 62 . B ATOM 4473 C CB . ASP BB 1 62 ? -1.275 40.397 31.667 1.0 32.27 ? 62 ASP BB CB 1 62 . B ATOM 4474 C CG . ASP BB 1 62 ? -1.591 39.917 33.181 1.0 32.79 ? 62 ASP BB CG 1 62 . B ATOM 4475 O OD1 . ASP BB 1 62 ? -1.859 38.698 33.517 1.0 29.89 ? 62 ASP BB OD1 1 62 . B ATOM 4476 O OD2 . ASP BB 1 62 ? -1.543 40.873 34.028 1.0 33.24 ? 62 ASP BB OD2 1 62 . B ATOM 4477 N N . ASN BB 1 63 ? -2.777 39.713 28.793 1.0 27.72 ? 63 ASN BB N 1 63 . B ATOM 4478 C CA . ASN BB 1 63 ? -3.182 40.122 27.432 1.0 31.98 ? 63 ASN BB CA 1 63 . B ATOM 4479 C C . ASN BB 1 63 ? -2.117 39.760 26.323 1.0 28.17 ? 63 ASN BB C 1 63 . B ATOM 4480 O O . ASN BB 1 63 ? -1.682 40.596 25.563 1.0 26.74 ? 63 ASN BB O 1 63 . B ATOM 4481 C CB . ASN BB 1 63 ? -3.486 41.624 27.456 1.0 36.52 ? 63 ASN BB CB 1 63 . B ATOM 4482 C CG . ASN BB 1 63 ? -4.261 42.016 28.704 1.0 39.26 ? 63 ASN BB CG 1 63 . B ATOM 4483 O OD1 . ASN BB 1 63 ? -4.650 43.182 28.897 1.0 40.99 ? 63 ASN BB OD1 1 63 . B ATOM 4484 N ND2 . ASN BB 1 63 ? -4.470 41.026 29.548 1.0 37.73 ? 63 ASN BB ND2 1 63 . B ATOM 4485 N N . CYS BB 1 64 ? -1.582 38.550 26.361 1.0 24.72 ? 64 CYS BB N 1 64 . B ATOM 4486 C CA . CYS BB 1 64 ? -0.530 38.263 25.461 1.0 25.94 ? 64 CYS BB CA 1 64 . B ATOM 4487 C C . CYS BB 1 64 ? -1.138 37.790 24.108 1.0 26.94 ? 64 CYS BB C 1 64 . B ATOM 4488 O O . CYS BB 1 64 ? -0.617 38.010 23.028 1.0 21.26 ? 64 CYS BB O 1 64 . B ATOM 4489 C CB . CYS BB 1 64 ? 0.391 37.228 26.125 1.0 23.77 ? 64 CYS BB CB 1 64 . B ATOM 4490 S SG . CYS BB 1 64 ? -0.434 35.687 26.527 1.0 24.03 ? 64 CYS BB SG 1 64 . B ATOM 4491 N N . ASN BB 1 65 ? -2.292 37.173 24.243 1.0 30.77 ? 65 ASN BB N 1 65 . B ATOM 4492 C CA . ASN BB 1 65 ? -3.040 36.752 23.098 1.0 31.77 ? 65 ASN BB CA 1 65 . B ATOM 4493 C C . ASN BB 1 65 ? -3.354 37.889 22.136 1.0 34.0 ? 65 ASN BB C 1 65 . B ATOM 4494 O O . ASN BB 1 65 ? -4.479 38.374 22.030 1.0 32.35 ? 65 ASN BB O 1 65 . B ATOM 4495 C CB . ASN BB 1 65 ? -4.294 35.931 23.458 1.0 29.3 ? 65 ASN BB CB 1 65 . B ATOM 4496 C CG . ASN BB 1 65 ? -5.316 36.696 24.236 1.0 26.79 ? 65 ASN BB CG 1 65 . B ATOM 4497 O OD1 . ASN BB 1 65 ? -5.014 37.717 24.900 1.0 26.9 ? 65 ASN BB OD1 1 65 . B ATOM 4498 N ND2 . ASN BB 1 65 ? -6.562 36.169 24.210 1.0 24.72 ? 65 ASN BB ND2 1 65 . B ATOM 4499 N N . HIS BB 1 66 ? -2.327 38.299 21.399 1.0 36.58 ? 66 HIS BB N 1 66 . B ATOM 4500 C CA . HIS BB 1 66 ? -2.557 39.274 20.368 1.0 38.26 ? 66 HIS BB CA 1 66 . B ATOM 4501 C C . HIS BB 1 66 ? -1.582 39.143 19.237 1.0 41.64 ? 66 HIS BB C 1 66 . B ATOM 4502 O O . HIS BB 1 66 ? -2.039 39.779 18.245 1.0 44.9 ? 66 HIS BB O 1 66 . B ATOM 4503 C CB . HIS BB 1 66 ? -2.639 40.660 20.832 1.0 39.07 ? 66 HIS BB CB 1 66 . B ATOM 4504 C CG . HIS BB 1 66 ? -1.397 41.099 21.492 1.0 43.4 ? 66 HIS BB CG 1 66 . B ATOM 4505 N ND1 . HIS BB 1 66 ? -0.563 40.209 22.138 1.0 45.2 ? 66 HIS BB ND1 1 66 . B ATOM 4506 C CD2 . HIS BB 1 66 ? -0.840 42.320 21.630 1.0 45.24 ? 66 HIS BB CD2 1 66 . B ATOM 4507 C CE1 . HIS BB 1 66 ? 0.474 40.866 22.628 1.0 46.41 ? 66 HIS BB CE1 1 66 . B ATOM 4508 N NE2 . HIS BB 1 66 ? 0.324 42.150 22.339 1.0 46.36 ? 66 HIS BB NE2 1 66 . B ATOM 4509 O OXT . HIS BB 1 66 ? -0.511 38.450 19.387 1.0 39.81 ? 66 HIS BB OXT 1 66 . B ATOM 4510 N N . ARG BC 1 1 ? 5.654 -35.262 34.342 1.0 28.42 ? 1 ARG BC N 1 1 . B ATOM 4511 C CA . ARG BC 1 1 ? 4.910 -36.474 34.352 1.0 32.83 ? 1 ARG BC CA 1 1 . B ATOM 4512 C C . ARG BC 1 1 ? 5.917 -37.380 33.787 1.0 36.65 ? 1 ARG BC C 1 1 . B ATOM 4513 O O . ARG BC 1 1 ? 7.109 -37.243 34.064 1.0 41.47 ? 1 ARG BC O 1 1 . B ATOM 4514 C CB . ARG BC 1 1 ? 3.826 -36.353 33.314 1.0 36.61 ? 1 ARG BC CB 1 1 . B ATOM 4515 C CG . ARG BC 1 1 ? 3.969 -35.111 32.466 1.0 40.21 ? 1 ARG BC CG 1 1 . B ATOM 4516 C CD . ARG BC 1 1 ? 2.672 -34.784 31.722 1.0 42.87 ? 1 ARG BC CD 1 1 . B ATOM 4517 N NE . ARG BC 1 1 ? 1.764 -34.076 32.610 1.0 46.4 ? 1 ARG BC NE 1 1 . B ATOM 4518 C CZ . ARG BC 1 1 ? 1.008 -34.693 33.530 1.0 48.43 ? 1 ARG BC CZ 1 1 . B ATOM 4519 N NH1 . ARG BC 1 1 ? 1.065 -36.026 33.642 1.0 48.34 ? 1 ARG BC NH1 1 1 . B ATOM 4520 N NH2 . ARG BC 1 1 ? 0.205 -33.994 34.339 1.0 49.01 ? 1 ARG BC NH2 1 1 . B ATOM 4521 N N . THR BC 1 2 ? 5.462 -38.296 32.947 1.0 37.03 ? 2 THR BC N 1 2 . B ATOM 4522 C CA . THR BC 1 2 ? 6.363 -39.171 32.240 1.0 35.87 ? 2 THR BC CA 1 2 . B ATOM 4523 C C . THR BC 1 2 ? 5.960 -38.787 30.847 1.0 35.32 ? 2 THR BC C 1 2 . B ATOM 4524 O O . THR BC 1 2 ? 4.816 -38.956 30.465 1.0 35.79 ? 2 THR BC O 1 2 . B ATOM 4525 C CB . THR BC 1 2 ? 5.973 -40.614 32.300 1.0 37.99 ? 2 THR BC CB 1 2 . B ATOM 4526 O OG1 . THR BC 1 2 ? 5.918 -41.066 33.654 1.0 39.65 ? 2 THR BC OG1 1 2 . B ATOM 4527 C CG2 . THR BC 1 2 ? 7.028 -41.397 31.605 1.0 39.3 ? 2 THR BC CG2 1 2 . B ATOM 4528 N N . CYS BC 1 3 ? 6.875 -38.273 30.052 1.0 34.38 ? 3 CYS BC N 1 3 . B ATOM 4529 C CA . CYS BC 1 3 ? 6.464 -37.946 28.708 1.0 28.7 ? 3 CYS BC CA 1 3 . B ATOM 4530 C C . CYS BC 1 3 ? 7.293 -38.768 27.805 1.0 25.41 ? 3 CYS BC C 1 3 . B ATOM 4531 O O . CYS BC 1 3 ? 8.414 -39.063 28.162 1.0 22.04 ? 3 CYS BC O 1 3 . B ATOM 4532 C CB . CYS BC 1 3 ? 6.885 -36.580 28.392 1.0 26.39 ? 3 CYS BC CB 1 3 . B ATOM 4533 S SG . CYS BC 1 3 ? 5.861 -35.248 28.924 1.0 28.16 ? 3 CYS BC SG 1 3 . B ATOM 4534 N N . LEU BC 1 4 ? 6.765 -38.993 26.585 1.0 27.65 ? 4 LEU BC N 1 4 . B ATOM 4535 C CA . LEU BC 1 4 ? 7.465 -39.703 25.497 1.0 27.08 ? 4 LEU BC CA 1 4 . B ATOM 4536 C C . LEU BC 1 4 ? 8.697 -38.966 25.030 1.0 24.06 ? 4 LEU BC C 1 4 . B ATOM 4537 O O . LEU BC 1 4 ? 8.718 -37.776 25.101 1.0 21.79 ? 4 LEU BC O 1 4 . B ATOM 4538 C CB . LEU BC 1 4 ? 6.524 -39.971 24.374 1.0 27.54 ? 4 LEU BC CB 1 4 . B ATOM 4539 C CG . LEU BC 1 4 ? 6.221 -41.423 24.749 1.0 30.26 ? 4 LEU BC CG 1 4 . B ATOM 4540 C CD1 . LEU BC 1 4 ? 7.370 -42.111 24.157 1.0 28.92 ? 4 LEU BC CD1 1 4 . B ATOM 4541 C CD2 . LEU BC 1 4 ? 6.235 -41.721 26.284 1.0 30.78 ? 4 LEU BC CD2 1 4 . B ATOM 4542 N N . ILE BC 1 5 ? 9.748 -39.665 24.651 1.0 26.01 ? 5 ILE BC N 1 5 . B ATOM 4543 C CA . ILE BC 1 5 ? 11.003 -39.001 24.279 1.0 31.27 ? 5 ILE BC CA 1 5 . B ATOM 4544 C C . ILE BC 1 5 ? 11.526 -39.221 22.849 1.0 34.09 ? 5 ILE BC C 1 5 . B ATOM 4545 O O . ILE BC 1 5 ? 11.683 -40.334 22.364 1.0 31.79 ? 5 ILE BC O 1 5 . B ATOM 4546 C CB . ILE BC 1 5 ? 12.112 -39.128 25.412 1.0 33.14 ? 5 ILE BC CB 1 5 . B ATOM 4547 C CG1 . ILE BC 1 5 ? 12.590 -37.779 25.923 1.0 33.21 ? 5 ILE BC CG1 1 5 . B ATOM 4548 C CG2 . ILE BC 1 5 ? 13.176 -40.167 25.163 1.0 34.55 ? 5 ILE BC CG2 1 5 . B ATOM 4549 C CD1 . ILE BC 1 5 ? 11.557 -37.286 27.033 1.0 32.06 ? 5 ILE BC CD1 1 5 . B ATOM 4550 N N . SER BC 1 6 ? 11.780 -38.113 22.179 1.0 39.64 ? 6 SER BC N 1 6 . B ATOM 4551 C CA . SER BC 1 6 ? 12.248 -38.105 20.785 1.0 44.24 ? 6 SER BC CA 1 6 . B ATOM 4552 C C . SER BC 1 6 ? 12.919 -39.212 19.972 1.0 46.33 ? 6 SER BC C 1 6 . B ATOM 4553 O O . SER BC 1 6 ? 12.349 -39.657 18.959 1.0 51.01 ? 6 SER BC O 1 6 . B ATOM 4554 C CB . SER BC 1 6 ? 12.571 -36.712 20.184 1.0 43.26 ? 6 SER BC CB 1 6 . B ATOM 4555 O OG . SER BC 1 6 ? 13.957 -36.519 20.117 1.0 44.39 ? 6 SER BC OG 1 6 . B ATOM 4556 N N . PRO BC 1 7 ? 14.163 -39.563 20.296 1.0 39.54 ? 7 PRO BC N 1 7 . B ATOM 4557 C CA . PRO BC 1 7 ? 14.910 -40.515 19.431 1.0 34.1 ? 7 PRO BC CA 1 7 . B ATOM 4558 C C . PRO BC 1 7 ? 14.091 -41.779 19.462 1.0 33.39 ? 7 PRO BC C 1 7 . B ATOM 4559 O O . PRO BC 1 7 ? 13.345 -42.098 18.526 1.0 31.86 ? 7 PRO BC O 1 7 . B ATOM 4560 C CB . PRO BC 1 7 ? 16.292 -40.609 20.057 1.0 31.46 ? 7 PRO BC CB 1 7 . B ATOM 4561 C CG . PRO BC 1 7 ? 16.369 -39.286 20.926 1.0 34.47 ? 7 PRO BC CG 1 7 . B ATOM 4562 C CD . PRO BC 1 7 ? 14.941 -39.077 21.447 1.0 36.16 ? 7 PRO BC CD 1 7 . B ATOM 4563 N N . SER BC 1 8 ? 14.005 -42.361 20.645 1.0 33.55 ? 8 SER BC N 1 8 . B ATOM 4564 C CA . SER BC 1 8 ? 13.245 -43.553 20.831 1.0 33.88 ? 8 SER BC CA 1 8 . B ATOM 4565 C C . SER BC 1 8 ? 11.811 -43.589 21.359 1.0 36.48 ? 8 SER BC C 1 8 . B ATOM 4566 O O . SER BC 1 8 ? 11.142 -44.660 21.353 1.0 38.95 ? 8 SER BC O 1 8 . B ATOM 4567 C CB . SER BC 1 8 ? 13.995 -44.434 21.745 1.0 34.58 ? 8 SER BC CB 1 8 . B ATOM 4568 O OG . SER BC 1 8 ? 13.149 -45.592 21.841 1.0 36.6 ? 8 SER BC OG 1 8 . B ATOM 4569 N N . SER BC 1 9 ? 11.323 -42.484 21.883 1.0 36.11 ? 9 SER BC N 1 9 . B ATOM 4570 C CA . SER BC 1 9 ? 9.992 -42.523 22.407 1.0 40.07 ? 9 SER BC CA 1 9 . B ATOM 4571 C C . SER BC 1 9 ? 9.825 -43.531 23.518 1.0 40.49 ? 9 SER BC C 1 9 . B ATOM 4572 O O . SER BC 1 9 ? 8.900 -44.335 23.502 1.0 41.75 ? 9 SER BC O 1 9 . B ATOM 4573 C CB . SER BC 1 9 ? 9.052 -42.836 21.282 1.0 44.18 ? 9 SER BC CB 1 9 . B ATOM 4574 O OG . SER BC 1 9 ? 9.682 -42.302 20.121 1.0 48.67 ? 9 SER BC OG 1 9 . B ATOM 4575 N N . THR BC 1 10 ? 10.630 -43.412 24.547 1.0 39.04 ? 10 THR BC N 1 10 . B ATOM 4576 C CA . THR BC 1 10 ? 10.396 -44.244 25.687 1.0 37.32 ? 10 THR BC CA 1 10 . B ATOM 4577 C C . THR BC 1 10 ? 9.988 -43.148 26.606 1.0 32.97 ? 10 THR BC C 1 10 . B ATOM 4578 O O . THR BC 1 10 ? 10.467 -42.063 26.502 1.0 30.56 ? 10 THR BC O 1 10 . B ATOM 4579 C CB . THR BC 1 10 ? 11.683 -44.702 26.277 1.0 39.43 ? 10 THR BC CB 1 10 . B ATOM 4580 O OG1 . THR BC 1 10 ? 12.750 -44.187 25.455 1.0 39.71 ? 10 THR BC OG1 1 10 . B ATOM 4581 C CG2 . THR BC 1 10 ? 11.711 -46.281 26.374 1.0 40.44 ? 10 THR BC CG2 1 10 . B ATOM 4582 N N . PRO BC 1 11 ? 9.089 -43.451 27.498 1.0 33.52 ? 11 PRO BC N 1 11 . B ATOM 4583 C CA . PRO BC 1 11 ? 8.664 -42.552 28.553 1.0 33.27 ? 11 PRO BC CA 1 11 . B ATOM 4584 C C . PRO BC 1 11 ? 9.840 -42.170 29.517 1.0 34.12 ? 11 PRO BC C 1 11 . B ATOM 4585 O O . PRO BC 1 11 ? 10.759 -42.952 29.746 1.0 32.92 ? 11 PRO BC O 1 11 . B ATOM 4586 C CB . PRO BC 1 11 ? 7.679 -43.427 29.326 1.0 33.21 ? 11 PRO BC CB 1 11 . B ATOM 4587 C CG . PRO BC 1 11 ? 7.743 -44.927 28.642 1.0 33.66 ? 11 PRO BC CG 1 11 . B ATOM 4588 C CD . PRO BC 1 11 ? 8.987 -44.880 27.856 1.0 34.6 ? 11 PRO BC CD 1 11 . B ATOM 4589 N N . GLN BC 1 12 ? 9.808 -40.971 30.101 1.0 35.62 ? 12 GLN BC N 1 12 . B ATOM 4590 C CA . GLN BC 1 12 ? 10.842 -40.528 31.027 1.0 36.01 ? 12 GLN BC CA 1 12 . B ATOM 4591 C C . GLN BC 1 12 ? 10.126 -39.431 31.798 1.0 36.01 ? 12 GLN BC C 1 12 . B ATOM 4592 O O . GLN BC 1 12 ? 9.438 -38.574 31.191 1.0 34.81 ? 12 GLN BC O 1 12 . B ATOM 4593 C CB . GLN BC 1 12 ? 12.086 -39.988 30.322 1.0 38.01 ? 12 GLN BC CB 1 12 . B ATOM 4594 C CG . GLN BC 1 12 ? 13.261 -39.555 31.243 1.0 40.97 ? 12 GLN BC CG 1 12 . B ATOM 4595 C CD . GLN BC 1 12 ? 14.156 -40.718 31.769 1.0 42.0 ? 12 GLN BC CD 1 12 . B ATOM 4596 O OE1 . GLN BC 1 12 ? 14.174 -41.821 31.226 1.0 43.62 ? 12 GLN BC OE1 1 12 . B ATOM 4597 N NE2 . GLN BC 1 12 ? 14.917 -40.458 32.827 1.0 40.74 ? 12 GLN BC NE2 1 12 . B ATOM 4598 N N . THR BC 1 13 ? 10.234 -39.513 33.142 1.0 34.8 ? 13 THR BC N 1 13 . B ATOM 4599 C CA . THR BC 1 13 ? 9.566 -38.563 34.013 1.0 32.34 ? 13 THR BC CA 1 13 . B ATOM 4600 C C . THR BC 1 13 ? 10.204 -37.234 33.934 1.0 24.81 ? 13 THR BC C 1 13 . B ATOM 4601 O O . THR BC 1 13 ? 11.448 -37.077 34.097 1.0 22.61 ? 13 THR BC O 1 13 . B ATOM 4602 C CB . THR BC 1 13 ? 9.481 -38.988 35.500 1.0 39.5 ? 13 THR BC CB 1 13 . B ATOM 4603 O OG1 . THR BC 1 13 ? 9.812 -37.856 36.348 1.0 41.77 ? 13 THR BC OG1 1 13 . B ATOM 4604 C CG2 . THR BC 1 13 ? 10.379 -40.249 35.792 1.0 39.7 ? 13 THR BC CG2 1 13 . B ATOM 4605 N N . CYS BC 1 14 ? 9.351 -36.267 33.658 1.0 21.65 ? 14 CYS BC N 1 14 . B ATOM 4606 C CA . CYS BC 1 14 ? 9.874 -34.958 33.546 1.0 26.99 ? 14 CYS BC CA 1 14 . B ATOM 4607 C C . CYS BC 1 14 ? 10.597 -34.544 34.818 1.0 34.68 ? 14 CYS BC C 1 14 . B ATOM 4608 O O . CYS BC 1 14 ? 10.299 -34.997 35.931 1.0 36.38 ? 14 CYS BC O 1 14 . B ATOM 4609 C CB . CYS BC 1 14 ? 8.779 -34.006 33.213 1.0 28.89 ? 14 CYS BC CB 1 14 . B ATOM 4610 S SG . CYS BC 1 14 ? 7.932 -34.344 31.602 1.0 32.27 ? 14 CYS BC SG 1 14 . B ATOM 4611 N N . PRO BC 1 15 ? 11.625 -33.745 34.624 1.0 39.23 ? 15 PRO BC N 1 15 . B ATOM 4612 C CA . PRO BC 1 15 ? 12.363 -33.231 35.713 1.0 41.76 ? 15 PRO BC CA 1 15 . B ATOM 4613 C C . PRO BC 1 15 ? 11.302 -32.441 36.396 1.0 44.19 ? 15 PRO BC C 1 15 . B ATOM 4614 O O . PRO BC 1 15 ? 10.539 -31.712 35.752 1.0 42.16 ? 15 PRO BC O 1 15 . B ATOM 4615 C CB . PRO BC 1 15 ? 13.385 -32.376 35.002 1.0 41.88 ? 15 PRO BC CB 1 15 . B ATOM 4616 C CG . PRO BC 1 15 ? 13.705 -33.294 33.762 1.0 40.85 ? 15 PRO BC CG 1 15 . B ATOM 4617 C CD . PRO BC 1 15 ? 12.574 -34.313 33.665 1.0 40.02 ? 15 PRO BC CD 1 15 . B ATOM 4618 N N . ASN BC 1 16 ? 11.200 -32.751 37.698 1.0 47.52 ? 16 ASN BC N 1 16 . B ATOM 4619 C CA . ASN BC 1 16 ? 10.256 -32.155 38.629 1.0 48.19 ? 16 ASN BC CA 1 16 . B ATOM 4620 C C . ASN BC 1 16 ? 9.956 -30.691 38.262 1.0 48.66 ? 16 ASN BC C 1 16 . B ATOM 4621 O O . ASN BC 1 16 ? 10.885 -29.892 38.209 1.0 48.17 ? 16 ASN BC O 1 16 . B ATOM 4622 C CB . ASN BC 1 16 ? 10.841 -32.240 40.041 1.0 46.92 ? 16 ASN BC CB 1 16 . B ATOM 4623 C CG . ASN BC 1 16 ? 10.540 -30.993 40.858 1.0 45.5 ? 16 ASN BC CG 1 16 . B ATOM 4624 O OD1 . ASN BC 1 16 ? 9.384 -30.699 41.254 1.0 43.78 ? 16 ASN BC OD1 1 16 . B ATOM 4625 N ND2 . ASN BC 1 16 ? 11.579 -30.232 41.112 1.0 46.37 ? 16 ASN BC ND2 1 16 . B ATOM 4626 N N . GLY BC 1 17 ? 8.690 -30.364 37.980 1.0 49.14 ? 17 GLY BC N 1 17 . B ATOM 4627 C CA . GLY BC 1 17 ? 8.360 -29.014 37.582 1.0 50.07 ? 17 GLY BC CA 1 17 . B ATOM 4628 C C . GLY BC 1 17 ? 8.052 -28.921 36.058 1.0 51.9 ? 17 GLY BC C 1 17 . B ATOM 4629 O O . GLY BC 1 17 ? 7.596 -27.849 35.596 1.0 53.86 ? 17 GLY BC O 1 17 . B ATOM 4630 N N . GLN BC 1 18 ? 8.299 -29.977 35.259 1.0 49.2 ? 18 GLN BC N 1 18 . B ATOM 4631 C CA . GLN BC 1 18 ? 7.999 -29.911 33.781 1.0 46.6 ? 18 GLN BC CA 1 18 . B ATOM 4632 C C . GLN BC 1 18 ? 6.835 -30.859 33.568 1.0 43.5 ? 18 GLN BC C 1 18 . B ATOM 4633 O O . GLN BC 1 18 ? 7.007 -32.044 33.640 1.0 41.54 ? 18 GLN BC O 1 18 . B ATOM 4634 C CB . GLN BC 1 18 ? 9.157 -30.454 32.951 1.0 46.67 ? 18 GLN BC CB 1 18 . B ATOM 4635 C CG . GLN BC 1 18 ? 10.070 -29.421 32.279 1.0 45.89 ? 18 GLN BC CG 1 18 . B ATOM 4636 C CD . GLN BC 1 18 ? 11.520 -29.878 32.396 1.0 45.36 ? 18 GLN BC CD 1 18 . B ATOM 4637 O OE1 . GLN BC 1 18 ? 11.776 -31.083 32.448 1.0 45.04 ? 18 GLN BC OE1 1 18 . B ATOM 4638 N NE2 . GLN BC 1 18 ? 12.441 -28.911 32.482 1.0 44.05 ? 18 GLN BC NE2 1 18 . B ATOM 4639 N N . ASP BC 1 19 ? 5.638 -30.354 33.340 1.0 41.59 ? 19 ASP BC N 1 19 . B ATOM 4640 C CA . ASP BC 1 19 ? 4.426 -31.177 33.306 1.0 41.54 ? 19 ASP BC CA 1 19 . B ATOM 4641 C C . ASP BC 1 19 ? 3.724 -31.410 31.990 1.0 34.69 ? 19 ASP BC C 1 19 . B ATOM 4642 O O . ASP BC 1 19 ? 2.700 -32.055 31.896 1.0 31.84 ? 19 ASP BC O 1 19 . B ATOM 4643 C CB . ASP BC 1 19 ? 3.430 -30.364 34.105 1.0 48.18 ? 19 ASP BC CB 1 19 . B ATOM 4644 C CG . ASP BC 1 19 ? 3.613 -28.845 33.858 1.0 54.38 ? 19 ASP BC CG 1 19 . B ATOM 4645 O OD1 . ASP BC 1 19 ? 4.599 -28.398 33.155 1.0 54.23 ? 19 ASP BC OD1 1 19 . B ATOM 4646 O OD2 . ASP BC 1 19 ? 2.764 -28.073 34.393 1.0 57.63 ? 19 ASP BC OD2 1 19 . B ATOM 4647 N N . ILE BC 1 20 ? 4.214 -30.760 30.984 1.0 32.49 ? 20 ILE BC N 1 20 . B ATOM 4648 C CA . ILE BC 1 20 ? 3.572 -30.894 29.760 1.0 32.55 ? 20 ILE BC CA 1 20 . B ATOM 4649 C C . ILE BC 1 20 ? 4.592 -31.488 28.879 1.0 34.82 ? 20 ILE BC C 1 20 . B ATOM 4650 O O . ILE BC 1 20 ? 5.776 -31.216 28.953 1.0 34.62 ? 20 ILE BC O 1 20 . B ATOM 4651 C CB . ILE BC 1 20 ? 3.258 -29.572 29.322 1.0 31.72 ? 20 ILE BC CB 1 20 . B ATOM 4652 C CG1 . ILE BC 1 20 ? 3.513 -29.436 27.851 1.0 30.1 ? 20 ILE BC CG1 1 20 . B ATOM 4653 C CG2 . ILE BC 1 20 ? 4.082 -28.638 30.082 1.0 32.22 ? 20 ILE BC CG2 1 20 . B ATOM 4654 C CD1 . ILE BC 1 20 ? 2.489 -28.391 27.257 1.0 28.09 ? 20 ILE BC CD1 1 20 . B ATOM 4655 N N . CYS BC 1 21 ? 4.079 -32.411 28.100 1.0 37.35 ? 21 CYS BC N 1 21 . B ATOM 4656 C CA . CYS BC 1 21 ? 4.803 -33.147 27.071 1.0 36.02 ? 21 CYS BC CA 1 21 . B ATOM 4657 C C . CYS BC 1 21 ? 4.573 -32.483 25.707 1.0 35.35 ? 21 CYS BC C 1 21 . B ATOM 4658 O O . CYS BC 1 21 ? 3.489 -31.974 25.462 1.0 36.73 ? 21 CYS BC O 1 21 . B ATOM 4659 C CB . CYS BC 1 21 ? 3.961 -34.383 26.915 1.0 32.81 ? 21 CYS BC CB 1 21 . B ATOM 4660 S SG . CYS BC 1 21 ? 3.922 -35.403 28.382 1.0 28.97 ? 21 CYS BC SG 1 21 . B ATOM 4661 N N . PHE BC 1 22 ? 5.479 -32.571 24.754 1.0 33.91 ? 22 PHE BC N 1 22 . B ATOM 4662 C CA . PHE BC 1 22 ? 5.102 -32.044 23.424 1.0 32.26 ? 22 PHE BC CA 1 22 . B ATOM 4663 C C . PHE BC 1 22 ? 5.685 -32.966 22.392 1.0 30.87 ? 22 PHE BC C 1 22 . B ATOM 4664 O O . PHE BC 1 22 ? 6.686 -33.675 22.632 1.0 29.37 ? 22 PHE BC O 1 22 . B ATOM 4665 C CB . PHE BC 1 22 ? 5.771 -30.757 23.097 1.0 32.47 ? 22 PHE BC CB 1 22 . B ATOM 4666 C CG . PHE BC 1 22 ? 7.283 -30.871 23.139 1.0 35.07 ? 22 PHE BC CG 1 22 . B ATOM 4667 C CD1 . PHE BC 1 22 ? 7.944 -31.041 24.349 1.0 34.95 ? 22 PHE BC CD1 1 22 . B ATOM 4668 C CD2 . PHE BC 1 22 ? 8.042 -30.760 22.001 1.0 36.92 ? 22 PHE BC CD2 1 22 . B ATOM 4669 C CE1 . PHE BC 1 22 ? 9.289 -31.085 24.431 1.0 34.59 ? 22 PHE BC CE1 1 22 . B ATOM 4670 C CE2 . PHE BC 1 22 ? 9.412 -30.822 22.095 1.0 36.52 ? 22 PHE BC CE2 1 22 . B ATOM 4671 C CZ . PHE BC 1 22 ? 10.014 -31.007 23.317 1.0 35.85 ? 22 PHE BC CZ 1 22 . B ATOM 4672 N N . LEU BC 1 23 ? 5.090 -32.851 21.213 1.0 30.74 ? 23 LEU BC N 1 23 . B ATOM 4673 C CA . LEU BC 1 23 ? 5.541 -33.526 19.966 1.0 27.29 ? 23 LEU BC CA 1 23 . B ATOM 4674 C C . LEU BC 1 23 ? 5.647 -32.403 18.940 1.0 25.52 ? 23 LEU BC C 1 23 . B ATOM 4675 O O . LEU BC 1 23 ? 4.667 -31.670 18.670 1.0 22.6 ? 23 LEU BC O 1 23 . B ATOM 4676 C CB . LEU BC 1 23 ? 4.508 -34.551 19.430 1.0 25.56 ? 23 LEU BC CB 1 23 . B ATOM 4677 C CG . LEU BC 1 23 ? 5.024 -35.658 18.500 1.0 23.85 ? 23 LEU BC CG 1 23 . B ATOM 4678 C CD1 . LEU BC 1 23 ? 3.851 -36.536 18.376 1.0 22.98 ? 23 LEU BC CD1 1 23 . B ATOM 4679 C CD2 . LEU BC 1 23 ? 5.417 -35.126 17.111 1.0 24.3 ? 23 LEU BC CD2 1 23 . B ATOM 4680 N N . LYS BC 1 24 ? 6.847 -32.243 18.397 1.0 27.01 ? 24 LYS BC N 1 24 . B ATOM 4681 C CA . LYS BC 1 24 ? 7.090 -31.288 17.334 1.0 26.28 ? 24 LYS BC CA 1 24 . B ATOM 4682 C C . LYS BC 1 24 ? 7.488 -32.084 16.039 1.0 26.95 ? 24 LYS BC C 1 24 . B ATOM 4683 O O . LYS BC 1 24 ? 7.923 -33.270 16.039 1.0 26.03 ? 24 LYS BC O 1 24 . B ATOM 4684 C CB . LYS BC 1 24 ? 8.129 -30.301 17.792 1.0 26.95 ? 24 LYS BC CB 1 24 . B ATOM 4685 C CG . LYS BC 1 24 ? 8.451 -29.250 16.726 1.0 30.49 ? 24 LYS BC CG 1 24 . B ATOM 4686 C CD . LYS BC 1 24 ? 9.684 -28.332 17.064 1.0 31.66 ? 24 LYS BC CD 1 24 . B ATOM 4687 C CE . LYS BC 1 24 ? 9.879 -28.143 18.648 1.0 32.47 ? 24 LYS BC CE 1 24 . B ATOM 4688 N NZ . LYS BC 1 24 ? 10.844 -27.030 19.131 1.0 30.96 ? 24 LYS BC NZ 1 24 . B ATOM 4689 N N . ALA BC 1 25 ? 7.282 -31.446 14.905 1.0 27.73 ? 25 ALA BC N 1 25 . B ATOM 4690 C CA . ALA BC 1 25 ? 7.582 -32.059 13.594 1.0 24.88 ? 25 ALA BC CA 1 25 . B ATOM 4691 C C . ALA BC 1 25 ? 7.678 -30.933 12.657 1.0 24.8 ? 25 ALA BC C 1 25 . B ATOM 4692 O O . ALA BC 1 25 ? 6.694 -30.225 12.484 1.0 22.94 ? 25 ALA BC O 1 25 . B ATOM 4693 C CB . ALA BC 1 25 ? 6.456 -32.918 13.094 1.0 21.86 ? 25 ALA BC CB 1 25 . B ATOM 4694 N N . GLN BC 1 26 ? 8.853 -30.771 12.050 1.0 26.57 ? 26 GLN BC N 1 26 . B ATOM 4695 C CA . GLN BC 1 26 ? 9.066 -29.799 10.998 1.0 26.91 ? 26 GLN BC CA 1 26 . B ATOM 4696 C C . GLN BC 1 26 ? 9.712 -30.546 9.830 1.0 29.25 ? 26 GLN BC C 1 26 . B ATOM 4697 O O . GLN BC 1 26 ? 10.209 -31.678 9.992 1.0 32.63 ? 26 GLN BC O 1 26 . B ATOM 4698 C CB . GLN BC 1 26 ? 9.888 -28.601 11.431 1.0 26.82 ? 26 GLN BC CB 1 26 . B ATOM 4699 C CG . GLN BC 1 26 ? 11.105 -28.794 12.366 1.0 29.13 ? 26 GLN BC CG 1 26 . B ATOM 4700 C CD . GLN BC 1 26 ? 11.812 -27.440 12.666 1.0 32.93 ? 26 GLN BC CD 1 26 . B ATOM 4701 O OE1 . GLN BC 1 26 ? 11.465 -26.386 12.093 1.0 33.78 ? 26 GLN BC OE1 1 26 . B ATOM 4702 N NE2 . GLN BC 1 26 ? 12.794 -27.464 13.576 1.0 35.78 ? 26 GLN BC NE2 1 26 . B ATOM 4703 N N . CYS BC 1 27 ? 9.758 -29.951 8.651 1.0 25.17 ? 27 CYS BC N 1 27 . B ATOM 4704 C CA . CYS BC 1 27 ? 10.449 -30.662 7.577 1.0 24.13 ? 27 CYS BC CA 1 27 . B ATOM 4705 C C . CYS BC 1 27 ? 11.821 -30.076 7.403 1.0 20.33 ? 27 CYS BC C 1 27 . B ATOM 4706 O O . CYS BC 1 27 ? 11.992 -28.887 7.629 1.0 17.91 ? 27 CYS BC O 1 27 . B ATOM 4707 C CB . CYS BC 1 27 ? 9.739 -30.344 6.253 1.0 26.62 ? 27 CYS BC CB 1 27 . B ATOM 4708 S SG . CYS BC 1 27 ? 8.407 -31.473 5.927 1.0 29.35 ? 27 CYS BC SG 1 27 . B ATOM 4709 N N . ASP BC 1 28 ? 12.764 -30.858 6.895 1.0 20.35 ? 28 ASP BC N 1 28 . B ATOM 4710 C CA . ASP BC 1 28 ? 14.049 -30.288 6.502 1.0 25.53 ? 28 ASP BC CA 1 28 . B ATOM 4711 C C . ASP BC 1 28 ? 14.132 -30.805 5.053 1.0 33.21 ? 28 ASP BC C 1 28 . B ATOM 4712 O O . ASP BC 1 28 ? 13.171 -31.399 4.553 1.0 33.98 ? 28 ASP BC O 1 28 . B ATOM 4713 C CB . ASP BC 1 28 ? 15.184 -30.920 7.309 1.0 23.35 ? 28 ASP BC CB 1 28 . B ATOM 4714 C CG . ASP BC 1 28 ? 15.130 -32.346 7.253 1.0 22.15 ? 28 ASP BC CG 1 28 . B ATOM 4715 O OD1 . ASP BC 1 28 ? 14.010 -32.884 7.075 1.0 20.64 ? 28 ASP BC OD1 1 28 . B ATOM 4716 O OD2 . ASP BC 1 28 ? 16.193 -32.909 7.375 1.0 25.21 ? 28 ASP BC OD2 1 28 . B ATOM 4717 N N . LYS BC 1 29 ? 15.288 -30.661 4.392 1.0 39.79 ? 29 LYS BC N 1 29 . B ATOM 4718 C CA . LYS BC 1 29 ? 15.529 -31.123 2.991 1.0 41.3 ? 29 LYS BC CA 1 29 . B ATOM 4719 C C . LYS BC 1 29 ? 15.208 -32.599 2.828 1.0 46.49 ? 29 LYS BC C 1 29 . B ATOM 4720 O O . LYS BC 1 29 ? 14.650 -33.011 1.815 1.0 46.9 ? 29 LYS BC O 1 29 . B ATOM 4721 C CB . LYS BC 1 29 ? 17.018 -31.021 2.599 1.0 40.13 ? 29 LYS BC CB 1 29 . B ATOM 4722 C CG . LYS BC 1 29 ? 17.628 -29.669 2.079 1.0 37.1 ? 29 LYS BC CG 1 29 . B ATOM 4723 C CD . LYS BC 1 29 ? 16.629 -28.514 1.993 1.0 35.35 ? 29 LYS BC CD 1 29 . B ATOM 4724 C CE . LYS BC 1 29 ? 17.280 -27.382 1.204 1.0 35.42 ? 29 LYS BC CE 1 29 . B ATOM 4725 N NZ . LYS BC 1 29 ? 16.766 -25.972 1.506 1.0 36.93 ? 29 LYS BC NZ 1 29 . B ATOM 4726 N N . PHE BC 1 30 ? 15.634 -33.440 3.762 1.0 51.25 ? 30 PHE BC N 1 30 . B ATOM 4727 C CA . PHE BC 1 30 ? 15.300 -34.833 3.528 1.0 54.97 ? 30 PHE BC CA 1 30 . B ATOM 4728 C C . PHE BC 1 30 ? 13.870 -35.001 3.963 1.0 52.42 ? 30 PHE BC C 1 30 . B ATOM 4729 O O . PHE BC 1 30 ? 13.562 -36.135 4.403 1.0 54.44 ? 30 PHE BC O 1 30 . B ATOM 4730 C CB . PHE BC 1 30 ? 16.085 -35.899 4.324 1.0 62.24 ? 30 PHE BC CB 1 30 . B ATOM 4731 C CG . PHE BC 1 30 ? 17.588 -35.952 4.057 1.0 69.92 ? 30 PHE BC CG 1 30 . B ATOM 4732 C CD1 . PHE BC 1 30 ? 18.145 -36.259 2.788 1.0 72.81 ? 30 PHE BC CD1 1 30 . B ATOM 4733 C CD2 . PHE BC 1 30 ? 18.470 -35.842 5.118 1.0 72.19 ? 30 PHE BC CD2 1 30 . B ATOM 4734 C CE1 . PHE BC 1 30 ? 19.582 -36.291 2.593 1.0 72.98 ? 30 PHE BC CE1 1 30 . B ATOM 4735 C CE2 . PHE BC 1 30 ? 19.882 -35.940 4.928 1.0 72.66 ? 30 PHE BC CE2 1 30 . B ATOM 4736 C CZ . PHE BC 1 30 ? 20.438 -36.174 3.668 1.0 72.57 ? 30 PHE BC CZ 1 30 . B ATOM 4737 N N . CYS BC 1 31 ? 13.004 -33.966 3.882 1.0 46.81 ? 31 CYS BC N 1 31 . B ATOM 4738 C CA . CYS BC 1 31 ? 11.601 -34.194 4.302 1.0 44.72 ? 31 CYS BC CA 1 31 . B ATOM 4739 C C . CYS BC 1 31 ? 10.774 -35.148 3.401 1.0 49.87 ? 31 CYS BC C 1 31 . B ATOM 4740 O O . CYS BC 1 31 ? 9.545 -35.289 3.612 1.0 50.1 ? 31 CYS BC O 1 31 . B ATOM 4741 C CB . CYS BC 1 31 ? 10.796 -32.922 4.698 1.0 38.46 ? 31 CYS BC CB 1 31 . B ATOM 4742 S SG . CYS BC 1 31 ? 9.365 -33.249 5.832 1.0 32.08 ? 31 CYS BC SG 1 31 . B ATOM 4743 N N . SER BC 1 32 ? 11.470 -35.749 2.399 1.0 52.97 ? 32 SER BC N 1 32 . B ATOM 4744 C CA . SER BC 1 32 ? 10.993 -36.669 1.329 1.0 52.26 ? 32 SER BC CA 1 32 . B ATOM 4745 C C . SER BC 1 32 ? 11.776 -37.989 1.265 1.0 51.54 ? 32 SER BC C 1 32 . B ATOM 4746 O O . SER BC 1 32 ? 11.379 -38.912 0.588 1.0 52.8 ? 32 SER BC O 1 32 . B ATOM 4747 C CB . SER BC 1 32 ? 11.182 -35.999 -0.028 1.0 54.38 ? 32 SER BC CB 1 32 . B ATOM 4748 O OG . SER BC 1 32 ? 12.469 -36.275 -0.585 1.0 55.31 ? 32 SER BC OG 1 32 . B ATOM 4749 N N . ILE BC 1 33 ? 12.904 -38.058 1.949 1.0 50.75 ? 33 ILE BC N 1 33 . B ATOM 4750 C CA . ILE BC 1 33 ? 13.757 -39.251 2.009 1.0 50.74 ? 33 ILE BC CA 1 33 . B ATOM 4751 C C . ILE BC 1 33 ? 13.448 -39.904 3.371 1.0 52.01 ? 33 ILE BC C 1 33 . B ATOM 4752 O O . ILE BC 1 33 ? 13.629 -41.131 3.562 1.0 51.97 ? 33 ILE BC O 1 33 . B ATOM 4753 C CB . ILE BC 1 33 ? 15.297 -38.821 1.911 1.0 49.29 ? 33 ILE BC CB 1 33 . B ATOM 4754 C CG1 . ILE BC 1 33 ? 15.671 -38.584 0.449 1.0 48.72 ? 33 ILE BC CG1 1 33 . B ATOM 4755 C CG2 . ILE BC 1 33 ? 16.300 -39.736 2.677 1.0 47.84 ? 33 ILE BC CG2 1 33 . B ATOM 4756 C CD1 . ILE BC 1 33 ? 14.478 -38.182 -0.443 1.0 47.79 ? 33 ILE BC CD1 1 33 . B ATOM 4757 N N . ARG BC 1 34 ? 12.949 -39.074 4.303 1.0 51.46 ? 34 ARG BC N 1 34 . B ATOM 4758 C CA . ARG BC 1 34 ? 12.637 -39.550 5.650 1.0 49.65 ? 34 ARG BC CA 1 34 . B ATOM 4759 C C . ARG BC 1 34 ? 11.348 -39.019 6.282 1.0 44.6 ? 34 ARG BC C 1 34 . B ATOM 4760 O O . ARG BC 1 34 ? 10.641 -39.706 7.047 1.0 47.26 ? 34 ARG BC O 1 34 . B ATOM 4761 C CB . ARG BC 1 34 ? 13.845 -39.241 6.577 1.0 50.94 ? 34 ARG BC CB 1 34 . B ATOM 4762 C CG . ARG BC 1 34 ? 13.506 -38.909 8.067 1.0 48.19 ? 34 ARG BC CG 1 34 . B ATOM 4763 C CD . ARG BC 1 34 ? 13.870 -37.496 8.400 1.0 44.2 ? 34 ARG BC CD 1 34 . B ATOM 4764 N NE . ARG BC 1 34 ? 15.290 -37.312 8.261 1.0 43.79 ? 34 ARG BC NE 1 34 . B ATOM 4765 C CZ . ARG BC 1 34 ? 15.855 -36.113 8.187 1.0 47.43 ? 34 ARG BC CZ 1 34 . B ATOM 4766 N NH1 . ARG BC 1 34 ? 15.128 -34.996 8.216 1.0 49.24 ? 34 ARG BC NH1 1 34 . B ATOM 4767 N NH2 . ARG BC 1 34 ? 17.156 -36.006 8.033 1.0 49.07 ? 34 ARG BC NH2 1 34 . B ATOM 4768 N N . GLY BC 1 35 ? 11.044 -37.779 6.005 1.0 36.88 ? 35 GLY BC N 1 35 . B ATOM 4769 C CA . GLY BC 1 35 ? 9.885 -37.281 6.663 1.0 33.47 ? 35 GLY BC CA 1 35 . B ATOM 4770 C C . GLY BC 1 35 ? 10.431 -36.206 7.552 1.0 31.07 ? 35 GLY BC C 1 35 . B ATOM 4771 O O . GLY BC 1 35 ? 11.630 -35.864 7.605 1.0 31.31 ? 35 GLY BC O 1 35 . B ATOM 4772 N N . PRO BC 1 36 ? 9.522 -35.593 8.236 1.0 30.07 ? 36 PRO BC N 1 36 . B ATOM 4773 C CA . PRO BC 1 36 ? 9.932 -34.528 9.127 1.0 31.28 ? 36 PRO BC CA 1 36 . B ATOM 4774 C C . PRO BC 1 36 ? 10.708 -35.049 10.323 1.0 32.29 ? 36 PRO BC C 1 36 . B ATOM 4775 O O . PRO BC 1 36 ? 10.606 -36.256 10.778 1.0 31.8 ? 36 PRO BC O 1 36 . B ATOM 4776 C CB . PRO BC 1 36 ? 8.600 -33.900 9.581 1.0 32.1 ? 36 PRO BC CB 1 36 . B ATOM 4777 C CG . PRO BC 1 36 ? 7.531 -35.011 9.373 1.0 31.65 ? 36 PRO BC CG 1 36 . B ATOM 4778 C CD . PRO BC 1 36 ? 8.242 -36.204 8.590 1.0 30.57 ? 36 PRO BC CD 1 36 . B ATOM 4779 N N . VAL BC 1 37 ? 11.491 -34.100 10.821 1.0 32.92 ? 37 VAL BC N 1 37 . B ATOM 4780 C CA . VAL BC 1 37 ? 12.264 -34.275 12.039 1.0 34.18 ? 37 VAL BC CA 1 37 . B ATOM 4781 C C . VAL BC 1 37 ? 11.232 -34.274 13.197 1.0 33.24 ? 37 VAL BC C 1 37 . B ATOM 4782 O O . VAL BC 1 37 ? 10.460 -33.328 13.388 1.0 32.06 ? 37 VAL BC O 1 37 . B ATOM 4783 C CB . VAL BC 1 37 ? 13.122 -33.054 12.236 1.0 36.87 ? 37 VAL BC CB 1 37 . B ATOM 4784 C CG1 . VAL BC 1 37 ? 14.243 -33.378 13.145 1.0 38.72 ? 37 VAL BC CG1 1 37 . B ATOM 4785 C CG2 . VAL BC 1 37 ? 13.574 -32.485 10.901 1.0 36.04 ? 37 VAL BC CG2 1 37 . B ATOM 4786 N N . ILE BC 1 38 ? 11.185 -35.354 13.953 1.0 34.12 ? 38 ILE BC N 1 38 . B ATOM 4787 C CA . ILE BC 1 38 ? 10.238 -35.417 15.050 1.0 34.84 ? 38 ILE BC CA 1 38 . B ATOM 4788 C C . ILE BC 1 38 ? 10.974 -35.405 16.387 1.0 35.76 ? 38 ILE BC C 1 38 . B ATOM 4789 O O . ILE BC 1 38 ? 11.820 -36.270 16.674 1.0 36.5 ? 38 ILE BC O 1 38 . B ATOM 4790 C CB . ILE BC 1 38 ? 9.387 -36.619 14.918 1.0 33.36 ? 38 ILE BC CB 1 38 . B ATOM 4791 C CG1 . ILE BC 1 38 ? 8.194 -36.239 14.096 1.0 32.58 ? 38 ILE BC CG1 1 38 . B ATOM 4792 C CG2 . ILE BC 1 38 ? 9.017 -37.232 16.251 1.0 34.36 ? 38 ILE BC CG2 1 38 . B ATOM 4793 C CD1 . ILE BC 1 38 ? 7.618 -37.453 13.515 1.0 31.72 ? 38 ILE BC CD1 1 38 . B ATOM 4794 N N . GLU BC 1 39 ? 10.663 -34.374 17.160 1.0 34.55 ? 39 GLU BC N 1 39 . B ATOM 4795 C CA . GLU BC 1 39 ? 11.238 -34.175 18.488 1.0 32.88 ? 39 GLU BC CA 1 39 . B ATOM 4796 C C . GLU BC 1 39 ? 10.087 -34.198 19.588 1.0 30.32 ? 39 GLU BC C 1 39 . B ATOM 4797 O O . GLU BC 1 39 ? 9.096 -33.455 19.494 1.0 29.11 ? 39 GLU BC O 1 39 . B ATOM 4798 C CB . GLU BC 1 39 ? 11.990 -32.858 18.448 1.0 32.37 ? 39 GLU BC CB 1 39 . B ATOM 4799 C CG . GLU BC 1 39 ? 12.119 -32.272 19.781 1.0 36.39 ? 39 GLU BC CG 1 39 . B ATOM 4800 C CD . GLU BC 1 39 ? 12.602 -30.863 19.769 1.0 39.11 ? 39 GLU BC CD 1 39 . B ATOM 4801 O OE1 . GLU BC 1 39 ? 11.831 -29.998 19.304 1.0 40.28 ? 39 GLU BC OE1 1 39 . B ATOM 4802 O OE2 . GLU BC 1 39 ? 13.731 -30.613 20.260 1.0 40.29 ? 39 GLU BC OE2 1 39 . B ATOM 4803 N N . GLN BC 1 40 ? 10.156 -35.095 20.574 1.0 29.78 ? 40 GLN BC N 1 40 . B ATOM 4804 C CA . GLN BC 1 40 ? 9.100 -35.152 21.632 1.0 28.2 ? 40 GLN BC CA 1 40 . B ATOM 4805 C C . GLN BC 1 40 ? 9.646 -35.237 23.028 1.0 31.31 ? 40 GLN BC C 1 40 . B ATOM 4806 O O . GLN BC 1 40 ? 10.506 -36.068 23.304 1.0 31.49 ? 40 GLN BC O 1 40 . B ATOM 4807 C CB . GLN BC 1 40 ? 8.222 -36.345 21.488 1.0 23.23 ? 40 GLN BC CB 1 40 . B ATOM 4808 C CG . GLN BC 1 40 ? 9.010 -37.510 21.434 1.0 21.48 ? 40 GLN BC CG 1 40 . B ATOM 4809 C CD . GLN BC 1 40 ? 8.240 -38.502 20.697 1.0 23.38 ? 40 GLN BC CD 1 40 . B ATOM 4810 O OE1 . GLN BC 1 40 ? 8.807 -39.465 20.144 1.0 27.19 ? 40 GLN BC OE1 1 40 . B ATOM 4811 N NE2 . GLN BC 1 40 ? 6.937 -38.287 20.638 1.0 19.36 ? 40 GLN BC NE2 1 40 . B ATOM 4812 N N . GLY BC 1 41 ? 9.136 -34.388 23.910 1.0 34.04 ? 41 GLY BC N 1 41 . B ATOM 4813 C CA . GLY BC 1 41 ? 9.587 -34.407 25.310 1.0 34.9 ? 41 GLY BC CA 1 41 . B ATOM 4814 C C . GLY BC 1 41 ? 8.809 -33.680 26.445 1.0 32.87 ? 41 GLY BC C 1 41 . B ATOM 4815 O O . GLY BC 1 41 ? 7.560 -33.541 26.430 1.0 31.21 ? 41 GLY BC O 1 41 . B ATOM 4816 N N . CYS BC 1 42 ? 9.597 -33.227 27.426 1.0 31.15 ? 42 CYS BC N 1 42 . B ATOM 4817 C CA . CYS BC 1 42 ? 9.053 -32.552 28.570 1.0 31.07 ? 42 CYS BC CA 1 42 . B ATOM 4818 C C . CYS BC 1 42 ? 9.348 -31.132 28.370 1.0 31.97 ? 42 CYS BC C 1 42 . B ATOM 4819 O O . CYS BC 1 42 ? 10.440 -30.790 27.979 1.0 30.84 ? 42 CYS BC O 1 42 . B ATOM 4820 C CB . CYS BC 1 42 ? 9.839 -32.904 29.841 1.0 30.27 ? 42 CYS BC CB 1 42 . B ATOM 4821 S SG . CYS BC 1 42 ? 9.631 -34.591 30.534 1.0 31.37 ? 42 CYS BC SG 1 42 . B ATOM 4822 N N . VAL BC 1 43 ? 8.411 -30.306 28.765 1.0 33.8 ? 43 VAL BC N 1 43 . B ATOM 4823 C CA . VAL BC 1 43 ? 8.661 -28.904 28.773 1.0 38.95 ? 43 VAL BC CA 1 43 . B ATOM 4824 C C . VAL BC 1 43 ? 8.058 -28.245 30.096 1.0 47.68 ? 43 VAL BC C 1 43 . B ATOM 4825 O O . VAL BC 1 43 ? 7.624 -28.990 31.034 1.0 50.22 ? 43 VAL BC O 1 43 . B ATOM 4826 C CB . VAL BC 1 43 ? 8.464 -28.198 27.390 1.0 35.8 ? 43 VAL BC CB 1 43 . B ATOM 4827 C CG1 . VAL BC 1 43 ? 9.309 -28.796 26.365 1.0 35.33 ? 43 VAL BC CG1 1 43 . B ATOM 4828 C CG2 . VAL BC 1 43 ? 7.046 -28.179 26.929 1.0 35.21 ? 43 VAL BC CG2 1 43 . B ATOM 4829 N N . ALA BC 1 44 ? 8.107 -26.900 30.195 1.0 49.82 ? 44 ALA BC N 1 44 . B ATOM 4830 C CA . ALA BC 1 44 ? 7.586 -26.087 31.318 1.0 50.54 ? 44 ALA BC CA 1 44 . B ATOM 4831 C C . ALA BC 1 44 ? 6.367 -25.361 30.749 1.0 50.33 ? 44 ALA BC C 1 44 . B ATOM 4832 O O . ALA BC 1 44 ? 5.268 -25.422 31.295 1.0 50.97 ? 44 ALA BC O 1 44 . B ATOM 4833 C CB . ALA BC 1 44 ? 8.650 -25.058 31.761 1.0 50.32 ? 44 ALA BC CB 1 44 . B ATOM 4834 N N . THR BC 1 45 ? 6.606 -24.706 29.614 1.0 49.97 ? 45 THR BC N 1 45 . B ATOM 4835 C CA . THR BC 1 45 ? 5.601 -23.993 28.834 1.0 50.01 ? 45 THR BC CA 1 45 . B ATOM 4836 C C . THR BC 1 45 ? 5.474 -24.517 27.349 1.0 49.24 ? 45 THR BC C 1 45 . B ATOM 4837 O O . THR BC 1 45 ? 6.471 -24.934 26.719 1.0 49.68 ? 45 THR BC O 1 45 . B ATOM 4838 C CB . THR BC 1 45 ? 5.651 -22.463 29.141 1.0 49.64 ? 45 THR BC CB 1 45 . B ATOM 4839 O OG1 . THR BC 1 45 ? 5.970 -21.673 27.980 1.0 51.0 ? 45 THR BC OG1 1 45 . B ATOM 4840 C CG2 . THR BC 1 45 ? 6.682 -22.224 30.227 1.0 48.28 ? 45 THR BC CG2 1 45 . B ATOM 4841 N N . CYS BC 1 46 ? 4.247 -24.622 26.838 1.0 46.2 ? 46 CYS BC N 1 46 . B ATOM 4842 C CA . CYS BC 1 46 ? 4.058 -25.151 25.493 1.0 43.04 ? 46 CYS BC CA 1 46 . B ATOM 4843 C C . CYS BC 1 46 ? 4.799 -24.214 24.574 1.0 44.52 ? 46 CYS BC C 1 46 . B ATOM 4844 O O . CYS BC 1 46 ? 4.753 -22.988 24.761 1.0 45.42 ? 46 CYS BC O 1 46 . B ATOM 4845 C CB . CYS BC 1 46 ? 2.596 -25.139 25.122 1.0 39.54 ? 46 CYS BC CB 1 46 . B ATOM 4846 S SG . CYS BC 1 46 ? 2.382 -25.625 23.396 1.0 35.86 ? 46 CYS BC SG 1 46 . B ATOM 4847 N N . PRO BC 1 47 ? 5.495 -24.784 23.604 1.0 44.54 ? 47 PRO BC N 1 47 . B ATOM 4848 C CA . PRO BC 1 47 ? 6.293 -24.028 22.691 1.0 45.96 ? 47 PRO BC CA 1 47 . B ATOM 4849 C C . PRO BC 1 47 ? 5.545 -23.115 21.762 1.0 48.9 ? 47 PRO BC C 1 47 . B ATOM 4850 O O . PRO BC 1 47 ? 4.369 -23.344 21.419 1.0 50.46 ? 47 PRO BC O 1 47 . B ATOM 4851 C CB . PRO BC 1 47 ? 7.057 -25.123 21.954 1.0 44.35 ? 47 PRO BC CB 1 47 . B ATOM 4852 C CG . PRO BC 1 47 ? 7.424 -26.021 23.030 1.0 42.77 ? 47 PRO BC CG 1 47 . B ATOM 4853 C CD . PRO BC 1 47 ? 6.226 -25.994 23.990 1.0 44.63 ? 47 PRO BC CD 1 47 . B ATOM 4854 N N . GLN BC 1 48 ? 6.238 -22.062 21.376 1.0 50.58 ? 48 GLN BC N 1 48 . B ATOM 4855 C CA . GLN BC 1 48 ? 5.608 -21.101 20.520 1.0 54.57 ? 48 GLN BC CA 1 48 . B ATOM 4856 C C . GLN BC 1 48 ? 5.336 -21.659 19.128 1.0 52.95 ? 48 GLN BC C 1 48 . B ATOM 4857 O O . GLN BC 1 48 ? 6.252 -22.283 18.541 1.0 52.61 ? 48 GLN BC O 1 48 . B ATOM 4858 C CB . GLN BC 1 48 ? 6.411 -19.797 20.479 1.0 59.66 ? 48 GLN BC CB 1 48 . B ATOM 4859 C CG . GLN BC 1 48 ? 5.963 -18.768 21.531 1.0 64.39 ? 48 GLN BC CG 1 48 . B ATOM 4860 C CD . GLN BC 1 48 ? 4.427 -18.792 21.887 1.0 68.06 ? 48 GLN BC CD 1 48 . B ATOM 4861 O OE1 . GLN BC 1 48 ? 3.622 -17.982 21.357 1.0 68.25 ? 48 GLN BC OE1 1 48 . B ATOM 4862 N NE2 . GLN BC 1 48 ? 4.036 -19.683 22.833 1.0 69.34 ? 48 GLN BC NE2 1 48 . B ATOM 4863 N N . PHE BC 1 49 ? 4.102 -21.463 18.611 1.0 50.79 ? 49 PHE BC N 1 49 . B ATOM 4864 C CA . PHE BC 1 49 ? 3.887 -21.948 17.275 1.0 48.98 ? 49 PHE BC CA 1 49 . B ATOM 4865 C C . PHE BC 1 49 ? 4.886 -21.317 16.312 1.0 52.84 ? 49 PHE BC C 1 49 . B ATOM 4866 O O . PHE BC 1 49 ? 5.396 -20.181 16.480 1.0 51.84 ? 49 PHE BC O 1 49 . B ATOM 4867 C CB . PHE BC 1 49 ? 2.480 -22.014 16.739 1.0 44.15 ? 49 PHE BC CB 1 49 . B ATOM 4868 C CG . PHE BC 1 49 ? 2.395 -22.892 15.512 1.0 41.72 ? 49 PHE BC CG 1 49 . B ATOM 4869 C CD1 . PHE BC 1 49 ? 2.814 -24.214 15.578 1.0 40.87 ? 49 PHE BC CD1 1 49 . B ATOM 4870 C CD2 . PHE BC 1 49 ? 2.008 -22.393 14.275 1.0 39.52 ? 49 PHE BC CD2 1 49 . B ATOM 4871 C CE1 . PHE BC 1 49 ? 2.766 -25.031 14.469 1.0 38.59 ? 49 PHE BC CE1 1 49 . B ATOM 4872 C CE2 . PHE BC 1 49 ? 1.964 -23.223 13.153 1.0 36.19 ? 49 PHE BC CE2 1 49 . B ATOM 4873 C CZ . PHE BC 1 49 ? 2.358 -24.524 13.275 1.0 36.36 ? 49 PHE BC CZ 1 49 . B ATOM 4874 N N . ARG BC 1 50 ? 5.279 -22.127 15.357 1.0 56.12 ? 50 ARG BC N 1 50 . B ATOM 4875 C CA . ARG BC 1 50 ? 6.285 -21.662 14.461 1.0 59.09 ? 50 ARG BC CA 1 50 . B ATOM 4876 C C . ARG BC 1 50 ? 5.823 -22.086 13.086 1.0 59.28 ? 50 ARG BC C 1 50 . B ATOM 4877 O O . ARG BC 1 50 ? 5.537 -23.241 12.820 1.0 60.92 ? 50 ARG BC O 1 50 . B ATOM 4878 C CB . ARG BC 1 50 ? 7.624 -22.237 14.906 1.0 62.29 ? 50 ARG BC CB 1 50 . B ATOM 4879 C CG . ARG BC 1 50 ? 8.743 -21.852 14.072 1.0 66.79 ? 50 ARG BC CG 1 50 . B ATOM 4880 C CD . ARG BC 1 50 ? 8.351 -20.582 13.420 1.0 71.34 ? 50 ARG BC CD 1 50 . B ATOM 4881 N NE . ARG BC 1 50 ? 8.350 -19.539 14.422 1.0 75.49 ? 50 ARG BC NE 1 50 . B ATOM 4882 C CZ . ARG BC 1 50 ? 9.455 -19.207 15.086 1.0 78.81 ? 50 ARG BC CZ 1 50 . B ATOM 4883 N NH1 . ARG BC 1 50 ? 10.597 -19.865 14.831 1.0 79.36 ? 50 ARG BC NH1 1 50 . B ATOM 4884 N NH2 . ARG BC 1 50 ? 9.435 -18.226 15.992 1.0 79.91 ? 50 ARG BC NH2 1 50 . B ATOM 4885 N N . SER BC 1 51 ? 5.644 -21.069 12.266 1.0 58.04 ? 51 SER BC N 1 51 . B ATOM 4886 C CA . SER BC 1 51 ? 5.217 -21.156 10.892 1.0 57.4 ? 51 SER BC CA 1 51 . B ATOM 4887 C C . SER BC 1 51 ? 5.740 -22.396 10.161 1.0 54.55 ? 51 SER BC C 1 51 . B ATOM 4888 O O . SER BC 1 51 ? 4.966 -23.215 9.617 1.0 54.9 ? 51 SER BC O 1 51 . B ATOM 4889 C CB . SER BC 1 51 ? 5.809 -19.931 10.209 1.0 60.57 ? 51 SER BC CB 1 51 . B ATOM 4890 O OG . SER BC 1 51 ? 6.796 -19.340 11.044 1.0 62.61 ? 51 SER BC OG 1 51 . B ATOM 4891 N N . ASN BC 1 52 ? 7.062 -22.525 10.138 1.0 50.43 ? 52 ASN BC N 1 52 . B ATOM 4892 C CA . ASN BC 1 52 ? 7.708 -23.632 9.459 1.0 46.89 ? 52 ASN BC CA 1 52 . B ATOM 4893 C C . ASN BC 1 52 ? 7.531 -24.964 10.124 1.0 43.86 ? 52 ASN BC C 1 52 . B ATOM 4894 O O . ASN BC 1 52 ? 8.455 -25.770 10.072 1.0 45.05 ? 52 ASN BC O 1 52 . B ATOM 4895 C CB . ASN BC 1 52 ? 9.205 -23.389 9.411 1.0 47.85 ? 52 ASN BC CB 1 52 . B ATOM 4896 C CG . ASN BC 1 52 ? 9.763 -22.873 10.710 1.0 48.34 ? 52 ASN BC CG 1 52 . B ATOM 4897 O OD1 . ASN BC 1 52 ? 9.945 -21.663 10.862 1.0 48.77 ? 52 ASN BC OD1 1 52 . B ATOM 4898 N ND2 . ASN BC 1 52 ? 10.086 -23.791 11.642 1.0 47.58 ? 52 ASN BC ND2 1 52 . B ATOM 4899 N N . TYR BC 1 53 ? 6.387 -25.210 10.746 1.0 39.06 ? 53 TYR BC N 1 53 . B ATOM 4900 C CA . TYR BC 1 53 ? 6.235 -26.448 11.453 1.0 35.95 ? 53 TYR BC CA 1 53 . B ATOM 4901 C C . TYR BC 1 53 ? 5.137 -27.210 10.863 1.0 30.55 ? 53 TYR BC C 1 53 . B ATOM 4902 O O . TYR BC 1 53 ? 4.094 -26.655 10.728 1.0 29.1 ? 53 TYR BC O 1 53 . B ATOM 4903 C CB . TYR BC 1 53 ? 5.788 -26.137 12.872 1.0 39.02 ? 53 TYR BC CB 1 53 . B ATOM 4904 C CG . TYR BC 1 53 ? 6.867 -25.747 13.851 1.0 43.19 ? 53 TYR BC CG 1 53 . B ATOM 4905 C CD1 . TYR BC 1 53 ? 8.205 -25.806 13.526 1.0 44.39 ? 53 TYR BC CD1 1 53 . B ATOM 4906 C CD2 . TYR BC 1 53 ? 6.522 -25.281 15.143 1.0 47.29 ? 53 TYR BC CD2 1 53 . B ATOM 4907 C CE1 . TYR BC 1 53 ? 9.184 -25.403 14.462 1.0 47.16 ? 53 TYR BC CE1 1 53 . B ATOM 4908 C CE2 . TYR BC 1 53 ? 7.498 -24.928 16.100 1.0 47.93 ? 53 TYR BC CE2 1 53 . B ATOM 4909 C CZ . TYR BC 1 53 ? 8.813 -24.967 15.723 1.0 48.54 ? 53 TYR BC CZ 1 53 . B ATOM 4910 O OH . TYR BC 1 53 ? 9.746 -24.611 16.638 1.0 51.39 ? 53 TYR BC OH 1 53 . B ATOM 4911 N N . ARG BC 1 54 ? 5.309 -28.502 10.679 1.0 31.16 ? 54 ARG BC N 1 54 . B ATOM 4912 C CA . ARG BC 1 54 ? 4.245 -29.340 10.145 1.0 35.84 ? 54 ARG BC CA 1 54 . B ATOM 4913 C C . ARG BC 1 54 ? 3.121 -29.564 11.151 1.0 37.85 ? 54 ARG BC C 1 54 . B ATOM 4914 O O . ARG BC 1 54 ? 1.931 -29.681 10.763 1.0 38.65 ? 54 ARG BC O 1 54 . B ATOM 4915 C CB . ARG BC 1 54 ? 4.787 -30.693 9.636 1.0 38.98 ? 54 ARG BC CB 1 54 . B ATOM 4916 C CG . ARG BC 1 54 ? 3.733 -31.801 9.594 1.0 42.26 ? 54 ARG BC CG 1 54 . B ATOM 4917 C CD . ARG BC 1 54 ? 3.856 -32.574 8.294 1.0 47.21 ? 54 ARG BC CD 1 54 . B ATOM 4918 N NE . ARG BC 1 54 ? 4.687 -31.806 7.354 1.0 50.9 ? 54 ARG BC NE 1 54 . B ATOM 4919 C CZ . ARG BC 1 54 ? 4.794 -31.992 6.029 1.0 51.64 ? 54 ARG BC CZ 1 54 . B ATOM 4920 N NH1 . ARG BC 1 54 ? 4.145 -32.960 5.380 1.0 52.16 ? 54 ARG BC NH1 1 54 . B ATOM 4921 N NH2 . ARG BC 1 54 ? 5.586 -31.189 5.345 1.0 51.57 ? 54 ARG BC NH2 1 54 . B ATOM 4922 N N . SER BC 1 55 ? 3.529 -29.712 12.424 1.0 38.04 ? 55 SER BC N 1 55 . B ATOM 4923 C CA . SER BC 1 55 ? 2.670 -29.918 13.598 1.0 37.26 ? 55 SER BC CA 1 55 . B ATOM 4924 C C . SER BC 1 55 ? 3.363 -29.605 14.975 1.0 34.95 ? 55 SER BC C 1 55 . B ATOM 4925 O O . SER BC 1 55 ? 4.581 -29.423 15.063 1.0 31.76 ? 55 SER BC O 1 55 . B ATOM 4926 C CB . SER BC 1 55 ? 1.869 -31.242 13.552 1.0 39.59 ? 55 SER BC CB 1 55 . B ATOM 4927 O OG . SER BC 1 55 ? 2.725 -32.394 13.455 1.0 42.5 ? 55 SER BC OG 1 55 . B ATOM 4928 N N . LEU BC 1 56 ? 2.556 -29.447 16.027 1.0 33.22 ? 56 LEU BC N 1 56 . B ATOM 4929 C CA . LEU BC 1 56 ? 3.026 -29.135 17.372 1.0 29.72 ? 56 LEU BC CA 1 56 . B ATOM 4930 C C . LEU BC 1 56 ? 1.847 -29.500 18.241 1.0 28.94 ? 56 LEU BC C 1 56 . B ATOM 4931 O O . LEU BC 1 56 ? 0.774 -28.882 18.138 1.0 28.06 ? 56 LEU BC O 1 56 . B ATOM 4932 C CB . LEU BC 1 56 ? 3.283 -27.640 17.565 1.0 26.05 ? 56 LEU BC CB 1 56 . B ATOM 4933 C CG . LEU BC 1 56 ? 3.733 -27.214 18.971 1.0 22.63 ? 56 LEU BC CG 1 56 . B ATOM 4934 C CD1 . LEU BC 1 56 ? 5.154 -27.558 19.178 1.0 19.43 ? 56 LEU BC CD1 1 56 . B ATOM 4935 C CD2 . LEU BC 1 56 ? 3.516 -25.745 19.232 1.0 22.5 ? 56 LEU BC CD2 1 56 . B ATOM 4936 N N . LEU BC 1 57 ? 2.068 -30.562 19.009 1.0 27.72 ? 57 LEU BC N 1 57 . B ATOM 4937 C CA . LEU BC 1 57 ? 1.104 -31.119 19.951 1.0 25.81 ? 57 LEU BC CA 1 57 . B ATOM 4938 C C . LEU BC 1 57 ? 1.684 -30.910 21.356 1.0 29.06 ? 57 LEU BC C 1 57 . B ATOM 4939 O O . LEU BC 1 57 ? 2.849 -31.315 21.710 1.0 29.95 ? 57 LEU BC O 1 57 . B ATOM 4940 C CB . LEU BC 1 57 ? 0.849 -32.595 19.735 1.0 21.31 ? 57 LEU BC CB 1 57 . B ATOM 4941 C CG . LEU BC 1 57 ? 0.072 -33.129 20.931 1.0 18.49 ? 57 LEU BC CG 1 57 . B ATOM 4942 C CD1 . LEU BC 1 57 ? -1.502 -32.955 20.894 1.0 15.32 ? 57 LEU BC CD1 1 57 . B ATOM 4943 C CD2 . LEU BC 1 57 ? 0.510 -34.564 21.239 1.0 17.98 ? 57 LEU BC CD2 1 57 . B ATOM 4944 N N . CYS BC 1 58 ? 0.838 -30.253 22.140 1.0 28.42 ? 58 CYS BC N 1 58 . B ATOM 4945 C CA . CYS BC 1 58 ? 1.103 -29.913 23.521 1.0 26.33 ? 58 CYS BC CA 1 58 . B ATOM 4946 C C . CYS BC 1 58 ? -0.028 -30.565 24.373 1.0 22.19 ? 58 CYS BC C 1 58 . B ATOM 4947 O O . CYS BC 1 58 ? -1.187 -30.173 24.321 1.0 19.68 ? 58 CYS BC O 1 58 . B ATOM 4948 C CB . CYS BC 1 58 ? 1.119 -28.368 23.581 1.0 28.25 ? 58 CYS BC CB 1 58 . B ATOM 4949 S SG . CYS BC 1 58 ? 2.783 -27.608 23.502 1.0 29.49 ? 58 CYS BC SG 1 58 . B ATOM 4950 N N . CYS BC 1 59 ? 0.267 -31.645 25.074 1.0 23.37 ? 59 CYS BC N 1 59 . B ATOM 4951 C CA . CYS BC 1 59 ? -0.750 -32.233 25.963 1.0 26.51 ? 59 CYS BC CA 1 59 . B ATOM 4952 C C . CYS BC 1 59 ? -0.186 -32.464 27.461 1.0 27.5 ? 59 CYS BC C 1 59 . B ATOM 4953 O O . CYS BC 1 59 ? 1.031 -32.580 27.659 1.0 28.29 ? 59 CYS BC O 1 59 . B ATOM 4954 C CB . CYS BC 1 59 ? -1.277 -33.479 25.349 1.0 22.85 ? 59 CYS BC CB 1 59 . B ATOM 4955 S SG . CYS BC 1 59 ? 0.232 -34.308 25.043 1.0 24.28 ? 59 CYS BC SG 1 59 . B ATOM 4956 N N . THR BC 1 60 ? -1.056 -32.498 28.490 1.0 25.03 ? 60 THR BC N 1 60 . B ATOM 4957 C CA . THR BC 1 60 ? -0.634 -32.694 29.909 1.0 20.04 ? 60 THR BC CA 1 60 . B ATOM 4958 C C . THR BC 1 60 ? -1.211 -33.994 30.494 1.0 19.02 ? 60 THR BC C 1 60 . B ATOM 4959 O O . THR BC 1 60 ? -2.168 -34.005 31.259 1.0 18.98 ? 60 THR BC O 1 60 . B ATOM 4960 C CB . THR BC 1 60 ? -1.206 -31.552 30.634 1.0 18.99 ? 60 THR BC CB 1 60 . B ATOM 4961 O OG1 . THR BC 1 60 ? -2.641 -31.616 30.558 1.0 17.25 ? 60 THR BC OG1 1 60 . B ATOM 4962 C CG2 . THR BC 1 60 ? -0.765 -30.308 29.918 1.0 19.61 ? 60 THR BC CG2 1 60 . B ATOM 4963 N N . THR BC 1 61 ? -0.636 -35.113 30.105 1.0 16.76 ? 61 THR BC N 1 61 . B ATOM 4964 C CA . THR BC 1 61 ? -1.165 -36.391 30.479 1.0 18.3 ? 61 THR BC CA 1 61 . B ATOM 4965 C C . THR BC 1 61 ? -0.008 -37.299 30.174 1.0 18.81 ? 61 THR BC C 1 61 . B ATOM 4966 O O . THR BC 1 61 ? 1.021 -36.839 29.688 1.0 17.22 ? 61 THR BC O 1 61 . B ATOM 4967 C CB . THR BC 1 61 ? -2.384 -36.694 29.721 1.0 20.62 ? 61 THR BC CB 1 61 . B ATOM 4968 O OG1 . THR BC 1 61 ? -3.524 -36.177 30.399 1.0 21.28 ? 61 THR BC OG1 1 61 . B ATOM 4969 C CG2 . THR BC 1 61 ? -2.544 -38.119 29.612 1.0 24.31 ? 61 THR BC CG2 1 61 . B ATOM 4970 N N . ASP BC 1 62 ? -0.022 -38.512 30.672 1.0 20.3 ? 62 ASP BC N 1 62 . B ATOM 4971 C CA . ASP BC 1 62 ? 1.216 -39.240 30.603 1.0 26.48 ? 62 ASP BC CA 1 62 . B ATOM 4972 C C . ASP BC 1 62 ? 1.507 -39.714 29.212 1.0 27.19 ? 62 ASP BC C 1 62 . B ATOM 4973 O O . ASP BC 1 62 ? 0.561 -40.093 28.565 1.0 29.05 ? 62 ASP BC O 1 62 . B ATOM 4974 C CB . ASP BC 1 62 ? 1.275 -40.397 31.667 1.0 32.27 ? 62 ASP BC CB 1 62 . B ATOM 4975 C CG . ASP BC 1 62 ? 1.591 -39.917 33.181 1.0 32.79 ? 62 ASP BC CG 1 62 . B ATOM 4976 O OD1 . ASP BC 1 62 ? 1.859 -38.698 33.517 1.0 29.89 ? 62 ASP BC OD1 1 62 . B ATOM 4977 O OD2 . ASP BC 1 62 ? 1.543 -40.873 34.028 1.0 33.24 ? 62 ASP BC OD2 1 62 . B ATOM 4978 N N . ASN BC 1 63 ? 2.777 -39.713 28.793 1.0 27.72 ? 63 ASN BC N 1 63 . B ATOM 4979 C CA . ASN BC 1 63 ? 3.182 -40.122 27.432 1.0 31.98 ? 63 ASN BC CA 1 63 . B ATOM 4980 C C . ASN BC 1 63 ? 2.117 -39.760 26.323 1.0 28.17 ? 63 ASN BC C 1 63 . B ATOM 4981 O O . ASN BC 1 63 ? 1.682 -40.596 25.563 1.0 26.74 ? 63 ASN BC O 1 63 . B ATOM 4982 C CB . ASN BC 1 63 ? 3.486 -41.624 27.456 1.0 36.52 ? 63 ASN BC CB 1 63 . B ATOM 4983 C CG . ASN BC 1 63 ? 4.261 -42.016 28.704 1.0 39.26 ? 63 ASN BC CG 1 63 . B ATOM 4984 O OD1 . ASN BC 1 63 ? 4.650 -43.182 28.897 1.0 40.99 ? 63 ASN BC OD1 1 63 . B ATOM 4985 N ND2 . ASN BC 1 63 ? 4.470 -41.026 29.548 1.0 37.73 ? 63 ASN BC ND2 1 63 . B ATOM 4986 N N . CYS BC 1 64 ? 1.582 -38.550 26.361 1.0 24.72 ? 64 CYS BC N 1 64 . B ATOM 4987 C CA . CYS BC 1 64 ? 0.530 -38.263 25.461 1.0 25.94 ? 64 CYS BC CA 1 64 . B ATOM 4988 C C . CYS BC 1 64 ? 1.138 -37.790 24.108 1.0 26.94 ? 64 CYS BC C 1 64 . B ATOM 4989 O O . CYS BC 1 64 ? 0.617 -38.010 23.028 1.0 21.26 ? 64 CYS BC O 1 64 . B ATOM 4990 C CB . CYS BC 1 64 ? -0.391 -37.228 26.125 1.0 23.77 ? 64 CYS BC CB 1 64 . B ATOM 4991 S SG . CYS BC 1 64 ? 0.434 -35.687 26.527 1.0 24.03 ? 64 CYS BC SG 1 64 . B ATOM 4992 N N . ASN BC 1 65 ? 2.292 -37.173 24.243 1.0 30.77 ? 65 ASN BC N 1 65 . B ATOM 4993 C CA . ASN BC 1 65 ? 3.040 -36.752 23.098 1.0 31.77 ? 65 ASN BC CA 1 65 . B ATOM 4994 C C . ASN BC 1 65 ? 3.354 -37.889 22.136 1.0 34.0 ? 65 ASN BC C 1 65 . B ATOM 4995 O O . ASN BC 1 65 ? 4.479 -38.374 22.030 1.0 32.35 ? 65 ASN BC O 1 65 . B ATOM 4996 C CB . ASN BC 1 65 ? 4.294 -35.931 23.458 1.0 29.3 ? 65 ASN BC CB 1 65 . B ATOM 4997 C CG . ASN BC 1 65 ? 5.316 -36.696 24.236 1.0 26.79 ? 65 ASN BC CG 1 65 . B ATOM 4998 O OD1 . ASN BC 1 65 ? 5.014 -37.717 24.900 1.0 26.9 ? 65 ASN BC OD1 1 65 . B ATOM 4999 N ND2 . ASN BC 1 65 ? 6.562 -36.169 24.210 1.0 24.72 ? 65 ASN BC ND2 1 65 . B ATOM 5000 N N . HIS BC 1 66 ? 2.327 -38.299 21.399 1.0 36.58 ? 66 HIS BC N 1 66 . B ATOM 5001 C CA . HIS BC 1 66 ? 2.557 -39.274 20.368 1.0 38.26 ? 66 HIS BC CA 1 66 . B ATOM 5002 C C . HIS BC 1 66 ? 1.582 -39.143 19.237 1.0 41.64 ? 66 HIS BC C 1 66 . B ATOM 5003 O O . HIS BC 1 66 ? 2.039 -39.779 18.245 1.0 44.9 ? 66 HIS BC O 1 66 . B ATOM 5004 C CB . HIS BC 1 66 ? 2.639 -40.660 20.832 1.0 39.07 ? 66 HIS BC CB 1 66 . B ATOM 5005 C CG . HIS BC 1 66 ? 1.397 -41.099 21.492 1.0 43.4 ? 66 HIS BC CG 1 66 . B ATOM 5006 N ND1 . HIS BC 1 66 ? 0.563 -40.209 22.138 1.0 45.2 ? 66 HIS BC ND1 1 66 . B ATOM 5007 C CD2 . HIS BC 1 66 ? 0.840 -42.320 21.630 1.0 45.24 ? 66 HIS BC CD2 1 66 . B ATOM 5008 C CE1 . HIS BC 1 66 ? -0.474 -40.866 22.628 1.0 46.41 ? 66 HIS BC CE1 1 66 . B ATOM 5009 N NE2 . HIS BC 1 66 ? -0.324 -42.150 22.339 1.0 46.36 ? 66 HIS BC NE2 1 66 . B ATOM 5010 O OXT . HIS BC 1 66 ? 0.511 -38.450 19.387 1.0 39.81 ? 66 HIS BC OXT 1 66 . B ATOM 5011 N N . ARG BD 1 1 ? -33.365 12.734 34.342 1.0 28.42 ? 1 ARG BD N 1 1 . B ATOM 5012 C CA . ARG BD 1 1 ? -34.042 13.985 34.352 1.0 32.83 ? 1 ARG BD CA 1 1 . B ATOM 5013 C C . ARG BD 1 1 ? -35.331 13.566 33.787 1.0 36.65 ? 1 ARG BD C 1 1 . B ATOM 5014 O O . ARG BD 1 1 ? -35.808 12.465 34.064 1.0 41.47 ? 1 ARG BD O 1 1 . B ATOM 5015 C CB . ARG BD 1 1 ? -33.396 14.863 33.314 1.0 36.61 ? 1 ARG BD CB 1 1 . B ATOM 5016 C CG . ARG BD 1 1 ? -32.391 14.118 32.466 1.0 40.21 ? 1 ARG BD CG 1 1 . B ATOM 5017 C CD . ARG BD 1 1 ? -31.460 15.078 31.722 1.0 42.87 ? 1 ARG BD CD 1 1 . B ATOM 5018 N NE . ARG BD 1 1 ? -30.393 15.510 32.610 1.0 46.4 ? 1 ARG BD NE 1 1 . B ATOM 5019 C CZ . ARG BD 1 1 ? -30.549 16.473 33.530 1.0 48.43 ? 1 ARG BD CZ 1 1 . B ATOM 5020 N NH1 . ARG BD 1 1 ? -31.732 17.091 33.642 1.0 48.34 ? 1 ARG BD NH1 1 1 . B ATOM 5021 N NH2 . ARG BD 1 1 ? -29.542 16.819 34.339 1.0 49.01 ? 1 ARG BD NH2 1 1 . B ATOM 5022 N N . THR BD 1 2 ? -35.896 14.418 32.947 1.0 37.03 ? 2 THR BD N 1 2 . B ATOM 5023 C CA . THR BD 1 2 ? -37.105 14.075 32.240 1.0 35.87 ? 2 THR BD CA 1 2 . B ATOM 5024 C C . THR BD 1 2 ? -36.571 14.232 30.847 1.0 35.32 ? 2 THR BD C 1 2 . B ATOM 5025 O O . THR BD 1 2 ? -36.145 15.307 30.465 1.0 35.79 ? 2 THR BD O 1 2 . B ATOM 5026 C CB . THR BD 1 2 ? -38.159 15.134 32.300 1.0 37.99 ? 2 THR BD CB 1 2 . B ATOM 5027 O OG1 . THR BD 1 2 ? -38.523 15.408 33.654 1.0 39.65 ? 2 THR BD OG1 1 2 . B ATOM 5028 C CG2 . THR BD 1 2 ? -39.365 14.612 31.605 1.0 39.3 ? 2 THR BD CG2 1 2 . B ATOM 5029 N N . CYS BD 1 3 ? -36.583 13.182 30.052 1.0 34.38 ? 3 CYS BD N 1 3 . B ATOM 5030 C CA . CYS BD 1 3 ? -36.094 13.375 28.708 1.0 28.7 ? 3 CYS BD CA 1 3 . B ATOM 5031 C C . CYS BD 1 3 ? -37.221 13.068 27.805 1.0 25.41 ? 3 CYS BD C 1 3 . B ATOM 5032 O O . CYS BD 1 3 ? -38.037 12.245 28.162 1.0 22.04 ? 3 CYS BD O 1 3 . B ATOM 5033 C CB . CYS BD 1 3 ? -35.122 12.327 28.392 1.0 26.39 ? 3 CYS BD CB 1 3 . B ATOM 5034 S SG . CYS BD 1 3 ? -33.456 12.548 28.924 1.0 28.16 ? 3 CYS BD SG 1 3 . B ATOM 5035 N N . LEU BD 1 4 ? -37.152 13.638 26.585 1.0 27.65 ? 4 LEU BD N 1 4 . B ATOM 5036 C CA . LEU BD 1 4 ? -38.116 13.387 25.497 1.0 27.08 ? 4 LEU BD CA 1 4 . B ATOM 5037 C C . LEU BD 1 4 ? -38.094 11.951 25.030 1.0 24.06 ? 4 LEU BD C 1 4 . B ATOM 5038 O O . LEU BD 1 4 ? -37.074 11.338 25.101 1.0 21.79 ? 4 LEU BD O 1 4 . B ATOM 5039 C CB . LEU BD 1 4 ? -37.878 14.336 24.374 1.0 27.54 ? 4 LEU BD CB 1 4 . B ATOM 5040 C CG . LEU BD 1 4 ? -38.984 15.324 24.749 1.0 30.26 ? 4 LEU BD CG 1 4 . B ATOM 5041 C CD1 . LEU BD 1 4 ? -40.154 14.673 24.157 1.0 28.92 ? 4 LEU BD CD1 1 4 . B ATOM 5042 C CD2 . LEU BD 1 4 ? -39.249 15.461 26.284 1.0 30.78 ? 4 LEU BD CD2 1 4 . B ATOM 5043 N N . ILE BD 1 5 ? -39.225 11.390 24.651 1.0 26.01 ? 5 ILE BD N 1 5 . B ATOM 5044 C CA . ILE BD 1 5 ? -39.277 9.972 24.279 1.0 31.27 ? 5 ILE BD CA 1 5 . B ATOM 5045 C C . ILE BD 1 5 ? -39.729 9.629 22.849 1.0 34.09 ? 5 ILE BD C 1 5 . B ATOM 5046 O O . ILE BD 1 5 ? -40.772 10.049 22.364 1.0 31.79 ? 5 ILE BD O 1 5 . B ATOM 5047 C CB . ILE BD 1 5 ? -39.942 9.075 25.412 1.0 33.14 ? 5 ILE BD CB 1 5 . B ATOM 5048 C CG1 . ILE BD 1 5 ? -39.013 7.986 25.923 1.0 33.21 ? 5 ILE BD CG1 1 5 . B ATOM 5049 C CG2 . ILE BD 1 5 ? -41.374 8.673 25.163 1.0 34.55 ? 5 ILE BD CG2 1 5 . B ATOM 5050 C CD1 . ILE BD 1 5 ? -38.069 8.634 27.033 1.0 32.06 ? 5 ILE BD CD1 1 5 . B ATOM 5051 N N . SER BD 1 6 ? -38.897 8.855 22.179 1.0 39.64 ? 6 SER BD N 1 6 . B ATOM 5052 C CA . SER BD 1 6 ? -39.124 8.445 20.785 1.0 44.24 ? 6 SER BD CA 1 6 . B ATOM 5053 C C . SER BD 1 6 ? -40.418 8.418 19.972 1.0 46.33 ? 6 SER BD C 1 6 . B ATOM 5054 O O . SER BD 1 6 ? -40.519 9.134 18.959 1.0 51.01 ? 6 SER BD O 1 6 . B ATOM 5055 C CB . SER BD 1 6 ? -38.079 7.469 20.184 1.0 43.26 ? 6 SER BD CB 1 6 . B ATOM 5056 O OG . SER BD 1 6 ? -38.605 6.172 20.117 1.0 44.39 ? 6 SER BD OG 1 6 . B ATOM 5057 N N . PRO BD 1 7 ? -41.344 7.516 20.296 1.0 39.54 ? 7 PRO BD N 1 7 . B ATOM 5058 C CA . PRO BD 1 7 ? -42.542 7.345 19.431 1.0 34.1 ? 7 PRO BD CA 1 7 . B ATOM 5059 C C . PRO BD 1 7 ? -43.227 8.687 19.462 1.0 33.39 ? 7 PRO BD C 1 7 . B ATOM 5060 O O . PRO BD 1 7 ? -43.130 9.492 18.526 1.0 31.86 ? 7 PRO BD O 1 7 . B ATOM 5061 C CB . PRO BD 1 7 ? -43.314 6.195 20.057 1.0 31.46 ? 7 PRO BD CB 1 7 . B ATOM 5062 C CG . PRO BD 1 7 ? -42.207 5.467 20.926 1.0 34.47 ? 7 PRO BD CG 1 7 . B ATOM 5063 C CD . PRO BD 1 7 ? -41.312 6.599 21.447 1.0 36.16 ? 7 PRO BD CD 1 7 . B ATOM 5064 N N . SER BD 1 8 ? -43.688 9.052 20.645 1.0 33.55 ? 8 SER BD N 1 8 . B ATOM 5065 C CA . SER BD 1 8 ? -44.340 10.306 20.831 1.0 33.88 ? 8 SER BD CA 1 8 . B ATOM 5066 C C . SER BD 1 8 ? -43.655 11.566 21.359 1.0 36.48 ? 8 SER BD C 1 8 . B ATOM 5067 O O . SER BD 1 8 ? -44.248 12.681 21.353 1.0 38.95 ? 8 SER BD O 1 8 . B ATOM 5068 C CB . SER BD 1 8 ? -45.479 10.097 21.745 1.0 34.58 ? 8 SER BD CB 1 8 . B ATOM 5069 O OG . SER BD 1 8 ? -46.058 11.409 21.841 1.0 36.6 ? 8 SER BD OG 1 8 . B ATOM 5070 N N . SER BD 1 9 ? -42.454 11.436 21.883 1.0 36.11 ? 9 SER BD N 1 9 . B ATOM 5071 C CA . SER BD 1 9 ? -41.822 12.608 22.407 1.0 40.07 ? 9 SER BD CA 1 9 . B ATOM 5072 C C . SER BD 1 9 ? -42.611 13.257 23.518 1.0 40.49 ? 9 SER BD C 1 9 . B ATOM 5073 O O . SER BD 1 9 ? -42.845 14.460 23.502 1.0 41.75 ? 9 SER BD O 1 9 . B ATOM 5074 C CB . SER BD 1 9 ? -41.623 13.579 21.282 1.0 44.18 ? 9 SER BD CB 1 9 . B ATOM 5075 O OG . SER BD 1 9 ? -41.475 12.766 20.121 1.0 48.67 ? 9 SER BD OG 1 9 . B ATOM 5076 N N . THR BD 1 10 ? -42.911 12.500 24.547 1.0 39.04 ? 10 THR BD N 1 10 . B ATOM 5077 C CA . THR BD 1 10 ? -43.515 13.119 25.687 1.0 37.32 ? 10 THR BD CA 1 10 . B ATOM 5078 C C . THR BD 1 10 ? -42.361 12.924 26.606 1.0 32.97 ? 10 THR BD C 1 10 . B ATOM 5079 O O . THR BD 1 10 ? -41.661 11.967 26.502 1.0 30.56 ? 10 THR BD O 1 10 . B ATOM 5080 C CB . THR BD 1 10 ? -44.554 12.233 26.277 1.0 39.43 ? 10 THR BD CB 1 10 . B ATOM 5081 O OG1 . THR BD 1 10 ? -44.642 11.052 25.455 1.0 39.71 ? 10 THR BD OG1 1 10 . B ATOM 5082 C CG2 . THR BD 1 10 ? -45.936 12.999 26.374 1.0 40.44 ? 10 THR BD CG2 1 10 . B ATOM 5083 N N . PRO BD 1 11 ? -42.174 13.854 27.498 1.0 33.52 ? 11 PRO BD N 1 11 . B ATOM 5084 C CA . PRO BD 1 11 ? -41.183 13.773 28.553 1.0 33.27 ? 11 PRO BD CA 1 11 . B ATOM 5085 C C . PRO BD 1 11 ? -41.440 12.563 29.517 1.0 34.12 ? 11 PRO BD C 1 11 . B ATOM 5086 O O . PRO BD 1 11 ? -42.577 12.159 29.746 1.0 32.92 ? 11 PRO BD O 1 11 . B ATOM 5087 C CB . PRO BD 1 11 ? -41.448 15.063 29.326 1.0 33.21 ? 11 PRO BD CB 1 11 . B ATOM 5088 C CG . PRO BD 1 11 ? -42.779 15.758 28.642 1.0 33.66 ? 11 PRO BD CG 1 11 . B ATOM 5089 C CD . PRO BD 1 11 ? -43.361 14.657 27.856 1.0 34.6 ? 11 PRO BD CD 1 11 . B ATOM 5090 N N . GLN BD 1 12 ? -40.386 11.992 30.101 1.0 35.62 ? 12 GLN BD N 1 12 . B ATOM 5091 C CA . GLN BD 1 12 ? -40.519 10.875 31.027 1.0 36.01 ? 12 GLN BD CA 1 12 . B ATOM 5092 C C . GLN BD 1 12 ? -39.211 10.946 31.798 1.0 36.01 ? 12 GLN BD C 1 12 . B ATOM 5093 O O . GLN BD 1 12 ? -38.125 11.113 31.191 1.0 34.81 ? 12 GLN BD O 1 12 . B ATOM 5094 C CB . GLN BD 1 12 ? -40.674 9.527 30.322 1.0 38.01 ? 12 GLN BD CB 1 12 . B ATOM 5095 C CG . GLN BD 1 12 ? -40.886 8.293 31.243 1.0 40.97 ? 12 GLN BD CG 1 12 . B ATOM 5096 C CD . GLN BD 1 12 ? -42.341 8.100 31.769 1.0 42.0 ? 12 GLN BD CD 1 12 . B ATOM 5097 O OE1 . GLN BD 1 12 ? -43.305 8.635 31.226 1.0 43.62 ? 12 GLN BD OE1 1 12 . B ATOM 5098 N NE2 . GLN BD 1 12 ? -42.496 7.311 32.827 1.0 40.74 ? 12 GLN BD NE2 1 12 . B ATOM 5099 N N . THR BD 1 13 ? -39.336 10.894 33.142 1.0 34.8 ? 13 THR BD N 1 13 . B ATOM 5100 C CA . THR BD 1 13 ? -38.180 10.997 34.013 1.0 32.34 ? 13 THR BD CA 1 13 . B ATOM 5101 C C . THR BD 1 13 ? -37.348 9.780 33.934 1.0 24.81 ? 13 THR BD C 1 13 . B ATOM 5102 O O . THR BD 1 13 ? -37.834 8.624 34.097 1.0 22.61 ? 13 THR BD O 1 13 . B ATOM 5103 C CB . THR BD 1 13 ? -38.505 11.283 35.500 1.0 39.5 ? 13 THR BD CB 1 13 . B ATOM 5104 O OG1 . THR BD 1 13 ? -37.690 10.431 36.348 1.0 41.77 ? 13 THR BD OG1 1 13 . B ATOM 5105 C CG2 . THR BD 1 13 ? -40.046 11.136 35.792 1.0 39.7 ? 13 THR BD CG2 1 13 . B ATOM 5106 N N . CYS BD 1 14 ? -36.084 10.035 33.658 1.0 21.65 ? 14 CYS BD N 1 14 . B ATOM 5107 C CA . CYS BD 1 14 ? -35.212 8.928 33.546 1.0 26.99 ? 14 CYS BD CA 1 14 . B ATOM 5108 C C . CYS BD 1 14 ? -35.215 8.095 34.818 1.0 34.68 ? 14 CYS BD C 1 14 . B ATOM 5109 O O . CYS BD 1 14 ? -35.458 8.579 35.931 1.0 36.38 ? 14 CYS BD O 1 14 . B ATOM 5110 C CB . CYS BD 1 14 ? -33.839 9.400 33.213 1.0 28.89 ? 14 CYS BD CB 1 14 . B ATOM 5111 S SG . CYS BD 1 14 ? -33.709 10.303 31.602 1.0 32.27 ? 14 CYS BD SG 1 14 . B ATOM 5112 N N . PRO BD 1 15 ? -35.037 6.805 34.624 1.0 39.23 ? 15 PRO BD N 1 15 . B ATOM 5113 C CA . PRO BD 1 15 ? -34.960 5.909 35.713 1.0 41.76 ? 15 PRO BD CA 1 15 . B ATOM 5114 C C . PRO BD 1 15 ? -33.746 6.433 36.396 1.0 44.19 ? 15 PRO BD C 1 15 . B ATOM 5115 O O . PRO BD 1 15 ? -32.733 6.729 35.752 1.0 42.16 ? 15 PRO BD O 1 15 . B ATOM 5116 C CB . PRO BD 1 15 ? -34.731 4.596 35.002 1.0 41.88 ? 15 PRO BD CB 1 15 . B ATOM 5117 C CG . PRO BD 1 15 ? -35.686 4.778 33.762 1.0 40.85 ? 15 PRO BD CG 1 15 . B ATOM 5118 C CD . PRO BD 1 15 ? -36.003 6.267 33.665 1.0 40.02 ? 15 PRO BD CD 1 15 . B ATOM 5119 N N . ASN BD 1 16 ? -33.963 6.676 37.698 1.0 47.52 ? 16 ASN BD N 1 16 . B ATOM 5120 C CA . ASN BD 1 16 ? -32.975 7.195 38.629 1.0 48.19 ? 16 ASN BD CA 1 16 . B ATOM 5121 C C . ASN BD 1 16 ? -31.557 6.723 38.262 1.0 48.66 ? 16 ASN BD C 1 16 . B ATOM 5122 O O . ASN BD 1 16 ? -31.330 5.519 38.209 1.0 48.17 ? 16 ASN BD O 1 16 . B ATOM 5123 C CB . ASN BD 1 16 ? -33.341 6.731 40.041 1.0 46.92 ? 16 ASN BD CB 1 16 . B ATOM 5124 C CG . ASN BD 1 16 ? -32.111 6.369 40.858 1.0 45.5 ? 16 ASN BD CG 1 16 . B ATOM 5125 O OD1 . ASN BD 1 16 ? -31.278 7.223 41.254 1.0 43.78 ? 16 ASN BD OD1 1 16 . B ATOM 5126 N ND2 . ASN BD 1 16 ? -31.971 5.088 41.112 1.0 46.37 ? 16 ASN BD ND2 1 16 . B ATOM 5127 N N . GLY BD 1 17 ? -30.641 7.656 37.980 1.0 49.14 ? 17 GLY BD N 1 17 . B ATOM 5128 C CA . GLY BD 1 17 ? -29.307 7.267 37.582 1.0 50.07 ? 17 GLY BD CA 1 17 . B ATOM 5129 C C . GLY BD 1 17 ? -29.072 7.487 36.058 1.0 51.9 ? 17 GLY BD C 1 17 . B ATOM 5130 O O . GLY BD 1 17 ? -27.916 7.346 35.596 1.0 53.86 ? 17 GLY BD O 1 17 . B ATOM 5131 N N . GLN BD 1 18 ? -30.110 7.801 35.259 1.0 49.2 ? 18 GLN BD N 1 18 . B ATOM 5132 C CA . GLN BD 1 18 ? -29.903 8.028 33.781 1.0 46.6 ? 18 GLN BD CA 1 18 . B ATOM 5133 C C . GLN BD 1 18 ? -30.142 9.510 33.568 1.0 43.5 ? 18 GLN BD C 1 18 . B ATOM 5134 O O . GLN BD 1 18 ? -31.254 9.954 33.640 1.0 41.54 ? 18 GLN BD O 1 18 . B ATOM 5135 C CB . GLN BD 1 18 ? -30.952 7.297 32.951 1.0 46.67 ? 18 GLN BD CB 1 18 . B ATOM 5136 C CG . GLN BD 1 18 ? -30.514 5.990 32.279 1.0 45.89 ? 18 GLN BD CG 1 18 . B ATOM 5137 C CD . GLN BD 1 18 ? -31.635 4.962 32.396 1.0 45.36 ? 18 GLN BD CD 1 18 . B ATOM 5138 O OE1 . GLN BD 1 18 ? -32.807 5.343 32.448 1.0 45.04 ? 18 GLN BD OE1 1 18 . B ATOM 5139 N NE2 . GLN BD 1 18 ? -31.258 3.681 32.482 1.0 44.05 ? 18 GLN BD NE2 1 18 . B ATOM 5140 N N . ASP BD 1 19 ? -29.106 10.294 33.340 1.0 41.59 ? 19 ASP BD N 1 19 . B ATOM 5141 C CA . ASP BD 1 19 ? -29.213 11.756 33.306 1.0 41.54 ? 19 ASP BD CA 1 19 . B ATOM 5142 C C . ASP BD 1 19 ? -29.064 12.480 31.990 1.0 34.69 ? 19 ASP BD C 1 19 . B ATOM 5143 O O . ASP BD 1 19 ? -29.110 13.689 31.896 1.0 31.84 ? 19 ASP BD O 1 19 . B ATOM 5144 C CB . ASP BD 1 19 ? -28.011 12.212 34.105 1.0 48.18 ? 19 ASP BD CB 1 19 . B ATOM 5145 C CG . ASP BD 1 19 ? -26.787 11.293 33.858 1.0 54.38 ? 19 ASP BD CG 1 19 . B ATOM 5146 O OD1 . ASP BD 1 19 ? -26.893 10.216 33.155 1.0 54.23 ? 19 ASP BD OD1 1 19 . B ATOM 5147 O OD2 . ASP BD 1 19 ? -25.694 11.643 34.393 1.0 57.63 ? 19 ASP BD OD2 1 19 . B ATOM 5148 N N . ILE BD 1 20 ? -28.746 11.730 30.984 1.0 32.49 ? 20 ILE BD N 1 20 . B ATOM 5149 C CA . ILE BD 1 20 ? -28.541 12.353 29.760 1.0 32.55 ? 20 ILE BD CA 1 20 . B ATOM 5150 C C . ILE BD 1 20 ? -29.565 11.767 28.879 1.0 34.82 ? 20 ILE BD C 1 20 . B ATOM 5151 O O . ILE BD 1 20 ? -29.922 10.606 28.953 1.0 34.62 ? 20 ILE BD O 1 20 . B ATOM 5152 C CB . ILE BD 1 20 ? -27.239 11.964 29.322 1.0 31.72 ? 20 ILE BD CB 1 20 . B ATOM 5153 C CG1 . ILE BD 1 20 ? -27.249 11.675 27.851 1.0 30.1 ? 20 ILE BD CG1 1 20 . B ATOM 5154 C CG2 . ILE BD 1 20 ? -26.842 10.784 30.082 1.0 32.22 ? 20 ILE BD CG2 1 20 . B ATOM 5155 C CD1 . ILE BD 1 20 ? -25.832 12.040 27.257 1.0 28.09 ? 20 ILE BD CD1 1 20 . B ATOM 5156 N N . CYS BD 1 21 ? -30.108 12.673 28.100 1.0 37.35 ? 21 CYS BD N 1 21 . B ATOM 5157 C CA . CYS BD 1 21 ? -31.108 12.414 27.071 1.0 36.02 ? 21 CYS BD CA 1 21 . B ATOM 5158 C C . CYS BD 1 21 ? -30.418 12.281 25.707 1.0 35.35 ? 21 CYS BD C 1 21 . B ATOM 5159 O O . CYS BD 1 21 ? -29.435 12.965 25.462 1.0 36.73 ? 21 CYS BD O 1 21 . B ATOM 5160 C CB . CYS BD 1 21 ? -31.757 13.761 26.915 1.0 32.81 ? 21 CYS BD CB 1 21 . B ATOM 5161 S SG . CYS BD 1 21 ? -32.621 14.305 28.382 1.0 28.97 ? 21 CYS BD SG 1 21 . B ATOM 5162 N N . PHE BD 1 22 ? -30.947 11.540 24.754 1.0 33.91 ? 22 PHE BD N 1 22 . B ATOM 5163 C CA . PHE BD 1 22 ? -30.302 11.604 23.424 1.0 32.26 ? 22 PHE BD CA 1 22 . B ATOM 5164 C C . PHE BD 1 22 ? -31.392 11.560 22.392 1.0 30.87 ? 22 PHE BD C 1 22 . B ATOM 5165 O O . PHE BD 1 22 ? -32.506 11.047 22.632 1.0 29.37 ? 22 PHE BD O 1 22 . B ATOM 5166 C CB . PHE BD 1 22 ? -29.522 10.380 23.097 1.0 32.47 ? 22 PHE BD CB 1 22 . B ATOM 5167 C CG . PHE BD 1 22 ? -30.377 9.128 23.139 1.0 35.07 ? 22 PHE BD CG 1 22 . B ATOM 5168 C CD1 . PHE BD 1 22 ? -30.854 8.641 24.349 1.0 34.95 ? 22 PHE BD CD1 1 22 . B ATOM 5169 C CD2 . PHE BD 1 22 ? -30.660 8.415 22.001 1.0 36.92 ? 22 PHE BD CD2 1 22 . B ATOM 5170 C CE1 . PHE BD 1 22 ? -31.565 7.498 24.431 1.0 34.59 ? 22 PHE BD CE1 1 22 . B ATOM 5171 C CE2 . PHE BD 1 22 ? -31.399 7.260 22.095 1.0 36.52 ? 22 PHE BD CE2 1 22 . B ATOM 5172 C CZ . PHE BD 1 22 ? -31.860 6.831 23.317 1.0 35.85 ? 22 PHE BD CZ 1 22 . B ATOM 5173 N N . LEU BD 1 23 ? -30.995 12.017 21.213 1.0 30.74 ? 23 LEU BD N 1 23 . B ATOM 5174 C CA . LEU BD 1 23 ? -31.805 11.964 19.966 1.0 27.29 ? 23 LEU BD CA 1 23 . B ATOM 5175 C C . LEU BD 1 23 ? -30.885 11.311 18.940 1.0 25.52 ? 23 LEU BD C 1 23 . B ATOM 5176 O O . LEU BD 1 23 ? -29.760 11.793 18.670 1.0 22.6 ? 23 LEU BD O 1 23 . B ATOM 5177 C CB . LEU BD 1 23 ? -32.176 13.372 19.430 1.0 25.56 ? 23 LEU BD CB 1 23 . B ATOM 5178 C CG . LEU BD 1 23 ? -33.393 13.478 18.500 1.0 23.85 ? 23 LEU BD CG 1 23 . B ATOM 5179 C CD1 . LEU BD 1 23 ? -33.567 14.933 18.376 1.0 22.98 ? 23 LEU BD CD1 1 23 . B ATOM 5180 C CD2 . LEU BD 1 23 ? -33.129 12.872 17.111 1.0 24.3 ? 23 LEU BD CD2 1 23 . B ATOM 5181 N N . LYS BD 1 24 ? -31.347 10.192 18.397 1.0 27.01 ? 24 LYS BD N 1 24 . B ATOM 5182 C CA . LYS BD 1 24 ? -30.641 9.504 17.334 1.0 26.28 ? 24 LYS BD CA 1 24 . B ATOM 5183 C C . LYS BD 1 24 ? -31.529 9.557 16.039 1.0 26.95 ? 24 LYS BD C 1 24 . B ATOM 5184 O O . LYS BD 1 24 ? -32.774 9.773 16.039 1.0 26.03 ? 24 LYS BD O 1 24 . B ATOM 5185 C CB . LYS BD 1 24 ? -30.306 8.111 17.792 1.0 26.95 ? 24 LYS BD CB 1 24 . B ATOM 5186 C CG . LYS BD 1 24 ? -29.557 7.306 16.726 1.0 30.49 ? 24 LYS BD CG 1 24 . B ATOM 5187 C CD . LYS BD 1 24 ? -29.378 5.780 17.064 1.0 31.66 ? 24 LYS BD CD 1 24 . B ATOM 5188 C CE . LYS BD 1 24 ? -29.312 5.516 18.648 1.0 32.47 ? 24 LYS BD CE 1 24 . B ATOM 5189 N NZ . LYS BD 1 24 ? -28.831 4.124 19.131 1.0 30.96 ? 24 LYS BD NZ 1 24 . B ATOM 5190 N N . ALA BD 1 25 ? -30.874 9.417 14.905 1.0 27.73 ? 25 ALA BD N 1 25 . B ATOM 5191 C CA . ALA BD 1 25 ? -31.555 9.463 13.594 1.0 24.88 ? 25 ALA BD CA 1 25 . B ATOM 5192 C C . ALA BD 1 25 ? -30.628 8.817 12.657 1.0 24.8 ? 25 ALA BD C 1 25 . B ATOM 5193 O O . ALA BD 1 25 ? -29.523 9.315 12.484 1.0 22.94 ? 25 ALA BD O 1 25 . B ATOM 5194 C CB . ALA BD 1 25 ? -31.736 10.868 13.094 1.0 21.86 ? 25 ALA BD CB 1 25 . B ATOM 5195 N N . GLN BD 1 26 ? -31.075 7.718 12.050 1.0 26.57 ? 26 GLN BD N 1 26 . B ATOM 5196 C CA . GLN BD 1 26 ? -30.340 7.048 10.998 1.0 26.91 ? 26 GLN BD CA 1 26 . B ATOM 5197 C C . GLN BD 1 26 ? -31.309 6.862 9.830 1.0 29.25 ? 26 GLN BD C 1 26 . B ATOM 5198 O O . GLN BD 1 26 ? -32.539 6.998 9.992 1.0 32.63 ? 26 GLN BD O 1 26 . B ATOM 5199 C CB . GLN BD 1 26 ? -29.713 5.737 11.431 1.0 26.82 ? 26 GLN BD CB 1 26 . B ATOM 5200 C CG . GLN BD 1 26 ? -30.489 4.780 12.366 1.0 29.13 ? 26 GLN BD CG 1 26 . B ATOM 5201 C CD . GLN BD 1 26 ? -29.670 3.490 12.666 1.0 32.93 ? 26 GLN BD CD 1 26 . B ATOM 5202 O OE1 . GLN BD 1 26 ? -28.583 3.264 12.093 1.0 33.78 ? 26 GLN BD OE1 1 26 . B ATOM 5203 N NE2 . GLN BD 1 26 ? -30.181 2.652 13.576 1.0 35.78 ? 26 GLN BD NE2 1 26 . B ATOM 5204 N N . CYS BD 1 27 ? -30.818 6.525 8.651 1.0 25.17 ? 27 CYS BD N 1 27 . B ATOM 5205 C CA . CYS BD 1 27 ? -31.779 6.282 7.577 1.0 24.13 ? 27 CYS BD CA 1 27 . B ATOM 5206 C C . CYS BD 1 27 ? -31.957 4.801 7.403 1.0 20.33 ? 27 CYS BD C 1 27 . B ATOM 5207 O O . CYS BD 1 27 ? -31.013 4.058 7.629 1.0 17.91 ? 27 CYS BD O 1 27 . B ATOM 5208 C CB . CYS BD 1 27 ? -31.148 6.738 6.253 1.0 26.62 ? 27 CYS BD CB 1 27 . B ATOM 5209 S SG . CYS BD 1 27 ? -31.460 8.456 5.927 1.0 29.35 ? 27 CYS BD SG 1 27 . B ATOM 5210 N N . ASP BD 1 28 ? -33.106 4.375 6.895 1.0 20.35 ? 28 ASP BD N 1 28 . B ATOM 5211 C CA . ASP BD 1 28 ? -33.255 2.977 6.502 1.0 25.53 ? 28 ASP BD CA 1 28 . B ATOM 5212 C C . ASP BD 1 28 ? -33.744 3.164 5.053 1.0 33.21 ? 28 ASP BD C 1 28 . B ATOM 5213 O O . ASP BD 1 28 ? -33.778 4.293 4.553 1.0 33.98 ? 28 ASP BD O 1 28 . B ATOM 5214 C CB . ASP BD 1 28 ? -34.369 2.310 7.309 1.0 23.35 ? 28 ASP BD CB 1 28 . B ATOM 5215 C CG . ASP BD 1 28 ? -35.578 3.070 7.253 1.0 22.15 ? 28 ASP BD CG 1 28 . B ATOM 5216 O OD1 . ASP BD 1 28 ? -35.483 4.309 7.075 1.0 20.64 ? 28 ASP BD OD1 1 28 . B ATOM 5217 O OD2 . ASP BD 1 28 ? -36.596 2.431 7.375 1.0 25.21 ? 28 ASP BD OD2 1 28 . B ATOM 5218 N N . LYS BD 1 29 ? -34.197 2.091 4.392 1.0 39.79 ? 29 LYS BD N 1 29 . B ATOM 5219 C CA . LYS BD 1 29 ? -34.718 2.113 2.991 1.0 41.3 ? 29 LYS BD CA 1 29 . B ATOM 5220 C C . LYS BD 1 29 ? -35.836 3.129 2.828 1.0 46.49 ? 29 LYS BD C 1 29 . B ATOM 5221 O O . LYS BD 1 29 ? -35.913 3.818 1.815 1.0 46.9 ? 29 LYS BD O 1 29 . B ATOM 5222 C CB . LYS BD 1 29 ? -35.374 0.772 2.599 1.0 40.13 ? 29 LYS BD CB 1 29 . B ATOM 5223 C CG . LYS BD 1 29 ? -34.508 -0.432 2.079 1.0 37.1 ? 29 LYS BD CG 1 29 . B ATOM 5224 C CD . LYS BD 1 29 ? -33.008 -0.144 1.993 1.0 35.35 ? 29 LYS BD CD 1 29 . B ATOM 5225 C CE . LYS BD 1 29 ? -32.353 -1.274 1.204 1.0 35.42 ? 29 LYS BD CE 1 29 . B ATOM 5226 N NZ . LYS BD 1 29 ? -30.875 -1.534 1.506 1.0 36.93 ? 29 LYS BD NZ 1 29 . B ATOM 5227 N N . PHE BD 1 30 ? -36.777 3.181 3.762 1.0 51.25 ? 30 PHE BD N 1 30 . B ATOM 5228 C CA . PHE BD 1 30 ? -37.816 4.166 3.528 1.0 54.97 ? 30 PHE BD CA 1 30 . B ATOM 5229 C C . PHE BD 1 30 ? -37.247 5.489 3.963 1.0 52.42 ? 30 PHE BD C 1 30 . B ATOM 5230 O O . PHE BD 1 30 ? -38.075 6.322 4.403 1.0 54.44 ? 30 PHE BD O 1 30 . B ATOM 5231 C CB . PHE BD 1 30 ? -39.132 4.019 4.324 1.0 62.24 ? 30 PHE BD CB 1 30 . B ATOM 5232 C CG . PHE BD 1 30 ? -39.929 2.744 4.057 1.0 69.92 ? 30 PHE BD CG 1 30 . B ATOM 5233 C CD1 . PHE BD 1 30 ? -40.474 2.415 2.788 1.0 72.81 ? 30 PHE BD CD1 1 30 . B ATOM 5234 C CD2 . PHE BD 1 30 ? -40.275 1.926 5.118 1.0 72.19 ? 30 PHE BD CD2 1 30 . B ATOM 5235 C CE1 . PHE BD 1 30 ? -41.220 1.187 2.593 1.0 72.98 ? 30 PHE BD CE1 1 30 . B ATOM 5236 C CE2 . PHE BD 1 30 ? -41.066 0.752 4.928 1.0 72.66 ? 30 PHE BD CE2 1 30 . B ATOM 5237 C CZ . PHE BD 1 30 ? -41.546 0.387 3.668 1.0 72.57 ? 30 PHE BD CZ 1 30 . B ATOM 5238 N N . CYS BD 1 31 ? -35.917 5.721 3.882 1.0 46.81 ? 31 CYS BD N 1 31 . B ATOM 5239 C CA . CYS BD 1 31 ? -35.413 7.050 4.302 1.0 44.72 ? 31 CYS BD CA 1 31 . B ATOM 5240 C C . CYS BD 1 31 ? -35.826 8.243 3.401 1.0 49.87 ? 31 CYS BD C 1 31 . B ATOM 5241 O O . CYS BD 1 31 ? -35.334 9.378 3.612 1.0 50.1 ? 31 CYS BD O 1 31 . B ATOM 5242 C CB . CYS BD 1 31 ? -33.909 7.111 4.698 1.0 38.46 ? 31 CYS BD CB 1 31 . B ATOM 5243 S SG . CYS BD 1 31 ? -33.477 8.514 5.832 1.0 32.08 ? 31 CYS BD SG 1 31 . B ATOM 5244 N N . SER BD 1 32 ? -36.695 7.941 2.399 1.0 52.97 ? 32 SER BD N 1 32 . B ATOM 5245 C CA . SER BD 1 32 ? -37.253 8.814 1.329 1.0 52.26 ? 32 SER BD CA 1 32 . B ATOM 5246 C C . SER BD 1 32 ? -38.787 8.796 1.265 1.0 51.54 ? 32 SER BD C 1 32 . B ATOM 5247 O O . SER BD 1 32 ? -39.388 9.602 0.588 1.0 52.8 ? 32 SER BD O 1 32 . B ATOM 5248 C CB . SER BD 1 32 ? -36.767 8.316 -0.028 1.0 54.38 ? 32 SER BD CB 1 32 . B ATOM 5249 O OG . SER BD 1 32 ? -37.649 7.339 -0.585 1.0 55.31 ? 32 SER BD OG 1 32 . B ATOM 5250 N N . ILE BD 1 33 ? -39.411 7.854 1.949 1.0 50.75 ? 33 ILE BD N 1 33 . B ATOM 5251 C CA . ILE BD 1 33 ? -40.871 7.711 2.009 1.0 50.74 ? 33 ILE BD CA 1 33 . B ATOM 5252 C C . ILE BD 1 33 ? -41.282 8.306 3.371 1.0 52.01 ? 33 ILE BD C 1 33 . B ATOM 5253 O O . ILE BD 1 33 ? -42.435 8.762 3.562 1.0 51.97 ? 33 ILE BD O 1 33 . B ATOM 5254 C CB . ILE BD 1 33 ? -41.268 6.163 1.911 1.0 49.29 ? 33 ILE BD CB 1 33 . B ATOM 5255 C CG1 . ILE BD 1 33 ? -41.250 5.721 0.449 1.0 48.72 ? 33 ILE BD CG1 1 33 . B ATOM 5256 C CG2 . ILE BD 1 33 ? -42.562 5.752 2.677 1.0 47.84 ? 33 ILE BD CG2 1 33 . B ATOM 5257 C CD1 . ILE BD 1 33 ? -40.306 6.553 -0.443 1.0 47.79 ? 33 ILE BD CD1 1 33 . B ATOM 5258 N N . ARG BD 1 34 ? -40.314 8.323 4.303 1.0 51.46 ? 34 ARG BD N 1 34 . B ATOM 5259 C CA . ARG BD 1 34 ? -40.570 8.831 5.650 1.0 49.65 ? 34 ARG BD CA 1 34 . B ATOM 5260 C C . ARG BD 1 34 ? -39.465 9.682 6.282 1.0 44.6 ? 34 ARG BD C 1 34 . B ATOM 5261 O O . ARG BD 1 34 ? -39.707 10.637 7.047 1.0 47.26 ? 34 ARG BD O 1 34 . B ATOM 5262 C CB . ARG BD 1 34 ? -40.906 7.631 6.577 1.0 50.94 ? 34 ARG BD CB 1 34 . B ATOM 5263 C CG . ARG BD 1 34 ? -40.449 7.758 8.067 1.0 48.19 ? 34 ARG BD CG 1 34 . B ATOM 5264 C CD . ARG BD 1 34 ? -39.407 6.736 8.400 1.0 44.2 ? 34 ARG BD CD 1 34 . B ATOM 5265 N NE . ARG BD 1 34 ? -39.958 5.414 8.261 1.0 43.79 ? 34 ARG BD NE 1 34 . B ATOM 5266 C CZ . ARG BD 1 34 ? -39.202 4.326 8.187 1.0 47.43 ? 34 ARG BD CZ 1 34 . B ATOM 5267 N NH1 . ARG BD 1 34 ? -37.871 4.397 8.216 1.0 49.24 ? 34 ARG BD NH1 1 34 . B ATOM 5268 N NH2 . ARG BD 1 34 ? -39.760 3.145 8.033 1.0 49.07 ? 34 ARG BD NH2 1 34 . B ATOM 5269 N N . GLY BD 1 35 ? -38.239 9.325 6.005 1.0 36.88 ? 35 GLY BD N 1 35 . B ATOM 5270 C CA . GLY BD 1 35 ? -37.229 10.080 6.663 1.0 33.47 ? 35 GLY BD CA 1 35 . B ATOM 5271 C C . GLY BD 1 35 ? -36.571 9.069 7.552 1.0 31.07 ? 35 GLY BD C 1 35 . B ATOM 5272 O O . GLY BD 1 35 ? -36.874 7.860 7.605 1.0 31.31 ? 35 GLY BD O 1 35 . B ATOM 5273 N N . PRO BD 1 36 ? -35.585 9.550 8.236 1.0 30.07 ? 36 PRO BD N 1 36 . B ATOM 5274 C CA . PRO BD 1 36 ? -34.868 8.663 9.127 1.0 31.28 ? 36 PRO BD CA 1 36 . B ATOM 5275 C C . PRO BD 1 36 ? -35.707 8.251 10.323 1.0 32.29 ? 36 PRO BD C 1 36 . B ATOM 5276 O O . PRO BD 1 36 ? -36.702 8.943 10.778 1.0 31.8 ? 36 PRO BD O 1 36 . B ATOM 5277 C CB . PRO BD 1 36 ? -33.658 9.502 9.581 1.0 32.1 ? 36 PRO BD CB 1 36 . B ATOM 5278 C CG . PRO BD 1 36 ? -34.086 10.983 9.373 1.0 31.65 ? 36 PRO BD CG 1 36 . B ATOM 5279 C CD . PRO BD 1 36 ? -35.474 10.964 8.590 1.0 30.57 ? 36 PRO BD CD 1 36 . B ATOM 5280 N N . VAL BD 1 37 ? -35.277 7.099 10.821 1.0 32.92 ? 37 VAL BD N 1 37 . B ATOM 5281 C CA . VAL BD 1 37 ? -35.815 6.517 12.039 1.0 34.18 ? 37 VAL BD CA 1 37 . B ATOM 5282 C C . VAL BD 1 37 ? -35.298 7.410 13.197 1.0 33.24 ? 37 VAL BD C 1 37 . B ATOM 5283 O O . VAL BD 1 37 ? -34.093 7.605 13.388 1.0 32.06 ? 37 VAL BD O 1 37 . B ATOM 5284 C CB . VAL BD 1 37 ? -35.187 5.163 12.236 1.0 36.87 ? 37 VAL BD CB 1 37 . B ATOM 5285 C CG1 . VAL BD 1 37 ? -36.028 4.354 13.145 1.0 38.72 ? 37 VAL BD CG1 1 37 . B ATOM 5286 C CG2 . VAL BD 1 37 ? -34.920 4.487 10.901 1.0 36.04 ? 37 VAL BD CG2 1 37 . B ATOM 5287 N N . ILE BD 1 38 ? -36.210 7.991 13.953 1.0 34.12 ? 38 ILE BD N 1 38 . B ATOM 5288 C CA . ILE BD 1 38 ? -35.791 8.842 15.050 1.0 34.84 ? 38 ILE BD CA 1 38 . B ATOM 5289 C C . ILE BD 1 38 ? -36.149 8.199 16.387 1.0 35.76 ? 38 ILE BD C 1 38 . B ATOM 5290 O O . ILE BD 1 38 ? -37.321 7.899 16.674 1.0 36.5 ? 38 ILE BD O 1 38 . B ATOM 5291 C CB . ILE BD 1 38 ? -36.406 10.180 14.918 1.0 33.36 ? 38 ILE BD CB 1 38 . B ATOM 5292 C CG1 . ILE BD 1 38 ? -35.481 11.023 14.096 1.0 32.58 ? 38 ILE BD CG1 1 38 . B ATOM 5293 C CG2 . ILE BD 1 38 ? -36.752 10.807 16.251 1.0 34.36 ? 38 ILE BD CG2 1 38 . B ATOM 5294 C CD1 . ILE BD 1 38 ? -36.244 12.129 13.515 1.0 31.72 ? 38 ILE BD CD1 1 38 . B ATOM 5295 N N . GLU BD 1 39 ? -35.100 7.953 17.160 1.0 34.55 ? 39 GLU BD N 1 39 . B ATOM 5296 C CA . GLU BD 1 39 ? -35.215 7.355 18.488 1.0 32.88 ? 39 GLU BD CA 1 39 . B ATOM 5297 C C . GLU BD 1 39 ? -34.660 8.363 19.588 1.0 30.32 ? 39 GLU BD C 1 39 . B ATOM 5298 O O . GLU BD 1 39 ? -33.521 8.850 19.494 1.0 29.11 ? 39 GLU BD O 1 39 . B ATOM 5299 C CB . GLU BD 1 39 ? -34.451 6.045 18.448 1.0 32.37 ? 39 GLU BD CB 1 39 . B ATOM 5300 C CG . GLU BD 1 39 ? -34.008 5.640 19.781 1.0 36.39 ? 39 GLU BD CG 1 39 . B ATOM 5301 C CD . GLU BD 1 39 ? -33.029 4.518 19.769 1.0 39.11 ? 39 GLU BD CD 1 39 . B ATOM 5302 O OE1 . GLU BD 1 39 ? -31.895 4.753 19.304 1.0 40.28 ? 39 GLU BD OE1 1 39 . B ATOM 5303 O OE2 . GLU BD 1 39 ? -33.377 3.415 20.260 1.0 40.29 ? 39 GLU BD OE2 1 39 . B ATOM 5304 N N . GLN BD 1 40 ? -35.471 8.752 20.574 1.0 29.78 ? 40 GLN BD N 1 40 . B ATOM 5305 C CA . GLN BD 1 40 ? -34.992 9.695 21.632 1.0 28.2 ? 40 GLN BD CA 1 40 . B ATOM 5306 C C . GLN BD 1 40 ? -35.339 9.265 23.028 1.0 31.31 ? 40 GLN BD C 1 40 . B ATOM 5307 O O . GLN BD 1 40 ? -36.489 8.936 23.304 1.0 31.49 ? 40 GLN BD O 1 40 . B ATOM 5308 C CB . GLN BD 1 40 ? -35.587 11.052 21.488 1.0 23.23 ? 40 GLN BD CB 1 40 . B ATOM 5309 C CG . GLN BD 1 40 ? -36.990 10.952 21.434 1.0 21.48 ? 40 GLN BD CG 1 40 . B ATOM 5310 C CD . GLN BD 1 40 ? -37.464 12.115 20.697 1.0 23.38 ? 40 GLN BD CD 1 40 . B ATOM 5311 O OE1 . GLN BD 1 40 ? -38.581 12.106 20.144 1.0 27.19 ? 40 GLN BD OE1 1 40 . B ATOM 5312 N NE2 . GLN BD 1 40 ? -36.626 13.136 20.638 1.0 19.36 ? 40 GLN BD NE2 1 40 . B ATOM 5313 N N . GLY BD 1 41 ? -34.349 9.282 23.910 1.0 34.04 ? 41 GLY BD N 1 41 . B ATOM 5314 C CA . GLY BD 1 41 ? -34.591 8.901 25.310 1.0 34.9 ? 41 GLY BD CA 1 41 . B ATOM 5315 C C . GLY BD 1 41 ? -33.572 9.211 26.445 1.0 32.87 ? 41 GLY BD C 1 41 . B ATOM 5316 O O . GLY BD 1 41 ? -32.827 10.223 26.430 1.0 31.21 ? 41 GLY BD O 1 41 . B ATOM 5317 N N . CYS BD 1 42 ? -33.574 8.302 27.426 1.0 31.15 ? 42 CYS BD N 1 42 . B ATOM 5318 C CA . CYS BD 1 42 ? -32.717 8.436 28.570 1.0 31.07 ? 42 CYS BD CA 1 42 . B ATOM 5319 C C . CYS BD 1 42 ? -31.635 7.470 28.370 1.0 31.97 ? 42 CYS BD C 1 42 . B ATOM 5320 O O . CYS BD 1 42 ? -31.885 6.354 27.979 1.0 30.84 ? 42 CYS BD O 1 42 . B ATOM 5321 C CB . CYS BD 1 42 ? -33.415 7.931 29.841 1.0 30.27 ? 42 CYS BD CB 1 42 . B ATOM 5322 S SG . CYS BD 1 42 ? -34.772 8.955 30.534 1.0 31.37 ? 42 CYS BD SG 1 42 . B ATOM 5323 N N . VAL BD 1 43 ? -30.451 7.869 28.765 1.0 33.8 ? 43 VAL BD N 1 43 . B ATOM 5324 C CA . VAL BD 1 43 ? -29.362 6.951 28.773 1.0 38.95 ? 43 VAL BD CA 1 43 . B ATOM 5325 C C . VAL BD 1 43 ? -28.490 7.144 30.096 1.0 47.68 ? 43 VAL BD C 1 43 . B ATOM 5326 O O . VAL BD 1 43 ? -28.918 7.893 31.034 1.0 50.22 ? 43 VAL BD O 1 43 . B ATOM 5327 C CB . VAL BD 1 43 ? -28.652 6.769 27.390 1.0 35.8 ? 43 VAL BD CB 1 43 . B ATOM 5328 C CG1 . VAL BD 1 43 ? -29.593 6.336 26.365 1.0 35.33 ? 43 VAL BD CG1 1 43 . B ATOM 5329 C CG2 . VAL BD 1 43 ? -27.927 7.987 26.929 1.0 35.21 ? 43 VAL BD CG2 1 43 . B ATOM 5330 N N . ALA BD 1 44 ? -27.349 6.429 30.195 1.0 49.82 ? 44 ALA BD N 1 44 . B ATOM 5331 C CA . ALA BD 1 44 ? -26.385 6.474 31.318 1.0 50.54 ? 44 ALA BD CA 1 44 . B ATOM 5332 C C . ALA BD 1 44 ? -25.147 7.166 30.749 1.0 50.33 ? 44 ALA BD C 1 44 . B ATOM 5333 O O . ALA BD 1 44 ? -24.650 8.149 31.295 1.0 50.97 ? 44 ALA BD O 1 44 . B ATOM 5334 C CB . ALA BD 1 44 ? -26.026 5.038 31.761 1.0 50.32 ? 44 ALA BD CB 1 44 . B ATOM 5335 N N . THR BD 1 45 ? -24.699 6.632 29.614 1.0 49.97 ? 45 THR BD N 1 45 . B ATOM 5336 C CA . THR BD 1 45 ? -23.579 7.146 28.834 1.0 50.01 ? 45 THR BD CA 1 45 . B ATOM 5337 C C . THR BD 1 45 ? -23.969 7.518 27.349 1.0 49.24 ? 45 THR BD C 1 45 . B ATOM 5338 O O . THR BD 1 45 ? -24.829 6.863 26.719 1.0 49.68 ? 45 THR BD O 1 45 . B ATOM 5339 C CB . THR BD 1 45 ? -22.279 6.338 29.141 1.0 49.64 ? 45 THR BD CB 1 45 . B ATOM 5340 O OG1 . THR BD 1 45 ? -21.754 5.666 27.980 1.0 51.0 ? 45 THR BD OG1 1 45 . B ATOM 5341 C CG2 . THR BD 1 45 ? -22.587 5.325 30.227 1.0 48.28 ? 45 THR BD CG2 1 45 . B ATOM 5342 N N . CYS BD 1 46 ? -23.447 8.633 26.838 1.0 46.2 ? 46 CYS BD N 1 46 . B ATOM 5343 C CA . CYS BD 1 46 ? -23.810 9.061 25.493 1.0 43.04 ? 46 CYS BD CA 1 46 . B ATOM 5344 C C . CYS BD 1 46 ? -23.369 7.951 24.574 1.0 44.52 ? 46 CYS BD C 1 46 . B ATOM 5345 O O . CYS BD 1 46 ? -22.285 7.378 24.761 1.0 45.42 ? 46 CYS BD O 1 46 . B ATOM 5346 C CB . CYS BD 1 46 ? -23.069 10.321 25.122 1.0 39.54 ? 46 CYS BD CB 1 46 . B ATOM 5347 S SG . CYS BD 1 46 ? -23.383 10.750 23.396 1.0 35.86 ? 46 CYS BD SG 1 46 . B ATOM 5348 N N . PRO BD 1 47 ? -24.211 7.633 23.604 1.0 44.54 ? 47 PRO BD N 1 47 . B ATOM 5349 C CA . PRO BD 1 47 ? -23.955 6.564 22.691 1.0 45.96 ? 47 PRO BD CA 1 47 . B ATOM 5350 C C . PRO BD 1 47 ? -22.791 6.755 21.762 1.0 48.9 ? 47 PRO BD C 1 47 . B ATOM 5351 O O . PRO BD 1 47 ? -22.401 7.888 21.419 1.0 50.46 ? 47 PRO BD O 1 47 . B ATOM 5352 C CB . PRO BD 1 47 ? -25.286 6.450 21.954 1.0 44.35 ? 47 PRO BD CB 1 47 . B ATOM 5353 C CG . PRO BD 1 47 ? -26.247 6.581 23.030 1.0 42.77 ? 47 PRO BD CG 1 47 . B ATOM 5354 C CD . PRO BD 1 47 ? -25.624 7.605 23.990 1.0 44.63 ? 47 PRO BD CD 1 47 . B ATOM 5355 N N . GLN BD 1 48 ? -22.225 5.629 21.376 1.0 50.58 ? 48 GLN BD N 1 48 . B ATOM 5356 C CA . GLN BD 1 48 ? -21.078 5.694 20.520 1.0 54.57 ? 48 GLN BD CA 1 48 . B ATOM 5357 C C . GLN BD 1 48 ? -21.425 6.208 19.128 1.0 52.95 ? 48 GLN BD C 1 48 . B ATOM 5358 O O . GLN BD 1 48 ? -22.424 5.727 18.541 1.0 52.61 ? 48 GLN BD O 1 48 . B ATOM 5359 C CB . GLN BD 1 48 ? -20.350 4.346 20.479 1.0 59.66 ? 48 GLN BD CB 1 48 . B ATOM 5360 C CG . GLN BD 1 48 ? -19.235 4.220 21.531 1.0 64.39 ? 48 GLN BD CG 1 48 . B ATOM 5361 C CD . GLN BD 1 48 ? -18.488 5.562 21.887 1.0 68.06 ? 48 GLN BD CD 1 48 . B ATOM 5362 O OE1 . GLN BD 1 48 ? -17.384 5.854 21.357 1.0 68.25 ? 48 GLN BD OE1 1 48 . B ATOM 5363 N NE2 . GLN BD 1 48 ? -19.064 6.346 22.833 1.0 69.34 ? 48 GLN BD NE2 1 48 . B ATOM 5364 N N . PHE BD 1 49 ? -20.638 7.179 18.611 1.0 50.79 ? 49 PHE BD N 1 49 . B ATOM 5365 C CA . PHE BD 1 49 ? -20.951 7.608 17.275 1.0 48.98 ? 49 PHE BD CA 1 49 . B ATOM 5366 C C . PHE BD 1 49 ? -20.904 6.427 16.312 1.0 52.84 ? 49 PHE BD C 1 49 . B ATOM 5367 O O . PHE BD 1 49 ? -20.175 5.417 16.480 1.0 51.84 ? 49 PHE BD O 1 49 . B ATOM 5368 C CB . PHE BD 1 49 ? -20.305 8.859 16.739 1.0 44.15 ? 49 PHE BD CB 1 49 . B ATOM 5369 C CG . PHE BD 1 49 ? -21.023 9.372 15.512 1.0 41.72 ? 49 PHE BD CG 1 49 . B ATOM 5370 C CD1 . PHE BD 1 49 ? -22.377 9.670 15.578 1.0 40.87 ? 49 PHE BD CD1 1 49 . B ATOM 5371 C CD2 . PHE BD 1 49 ? -20.397 9.458 14.275 1.0 39.52 ? 49 PHE BD CD2 1 49 . B ATOM 5372 C CE1 . PHE BD 1 49 ? -23.060 10.120 14.469 1.0 38.59 ? 49 PHE BD CE1 1 49 . B ATOM 5373 C CE2 . PHE BD 1 49 ? -21.094 9.911 13.153 1.0 36.19 ? 49 PHE BD CE2 1 49 . B ATOM 5374 C CZ . PHE BD 1 49 ? -22.418 10.220 13.275 1.0 36.36 ? 49 PHE BD CZ 1 49 . B ATOM 5375 N N . ARG BD 1 50 ? -21.802 6.492 15.357 1.0 56.12 ? 50 ARG BD N 1 50 . B ATOM 5376 C CA . ARG BD 1 50 ? -21.902 5.388 14.461 1.0 59.09 ? 50 ARG BD CA 1 50 . B ATOM 5377 C C . ARG BD 1 50 ? -22.039 6.000 13.086 1.0 59.28 ? 50 ARG BD C 1 50 . B ATOM 5378 O O . ARG BD 1 50 ? -22.896 6.825 12.820 1.0 60.92 ? 50 ARG BD O 1 50 . B ATOM 5379 C CB . ARG BD 1 50 ? -23.070 4.516 14.906 1.0 62.29 ? 50 ARG BD CB 1 50 . B ATOM 5380 C CG . ARG BD 1 50 ? -23.296 3.354 14.072 1.0 66.79 ? 50 ARG BD CG 1 50 . B ATOM 5381 C CD . ARG BD 1 50 ? -22.000 3.059 13.420 1.0 71.34 ? 50 ARG BD CD 1 50 . B ATOM 5382 N NE . ARG BD 1 50 ? -21.096 2.538 14.422 1.0 75.49 ? 50 ARG BD NE 1 50 . B ATOM 5383 C CZ . ARG BD 1 50 ? -21.361 1.415 15.086 1.0 78.81 ? 50 ARG BD CZ 1 50 . B ATOM 5384 N NH1 . ARG BD 1 50 ? -22.502 0.755 14.831 1.0 79.36 ? 50 ARG BD NH1 1 50 . B ATOM 5385 N NH2 . ARG BD 1 50 ? -20.502 0.942 15.992 1.0 79.91 ? 50 ARG BD NH2 1 50 . B ATOM 5386 N N . SER BD 1 51 ? -21.068 5.647 12.266 1.0 58.04 ? 51 SER BD N 1 51 . B ATOM 5387 C CA . SER BD 1 51 ? -20.930 6.060 10.892 1.0 57.4 ? 51 SER BD CA 1 51 . B ATOM 5388 C C . SER BD 1 51 ? -22.266 6.227 10.161 1.0 54.55 ? 51 SER BD C 1 51 . B ATOM 5389 O O . SER BD 1 51 ? -22.588 7.307 9.617 1.0 54.9 ? 51 SER BD O 1 51 . B ATOM 5390 C CB . SER BD 1 51 ? -20.165 4.935 10.209 1.0 60.57 ? 51 SER BD CB 1 51 . B ATOM 5391 O OG . SER BD 1 51 ? -20.147 3.785 11.044 1.0 62.61 ? 51 SER BD OG 1 51 . B ATOM 5392 N N . ASN BD 1 52 ? -23.038 5.147 10.138 1.0 50.43 ? 52 ASN BD N 1 52 . B ATOM 5393 C CA . ASN BD 1 52 ? -24.320 5.141 9.459 1.0 46.89 ? 52 ASN BD CA 1 52 . B ATOM 5394 C C . ASN BD 1 52 ? -25.385 5.960 10.124 1.0 43.86 ? 52 ASN BD C 1 52 . B ATOM 5395 O O . ASN BD 1 52 ? -26.545 5.563 10.072 1.0 45.05 ? 52 ASN BD O 1 52 . B ATOM 5396 C CB . ASN BD 1 52 ? -24.858 3.723 9.411 1.0 47.85 ? 52 ASN BD CB 1 52 . B ATOM 5397 C CG . ASN BD 1 52 ? -24.690 2.982 10.710 1.0 48.34 ? 52 ASN BD CG 1 52 . B ATOM 5398 O OD1 . ASN BD 1 52 ? -23.733 2.219 10.862 1.0 48.77 ? 52 ASN BD OD1 1 52 . B ATOM 5399 N ND2 . ASN BD 1 52 ? -25.647 3.161 11.642 1.0 47.58 ? 52 ASN BD ND2 1 52 . B ATOM 5400 N N . TYR BD 1 53 ? -25.026 7.074 10.746 1.0 39.06 ? 53 TYR BD N 1 53 . B ATOM 5401 C CA . TYR BD 1 53 ? -26.022 7.824 11.453 1.0 35.95 ? 53 TYR BD CA 1 53 . B ATOM 5402 C C . TYR BD 1 53 ? -26.133 9.156 10.863 1.0 30.55 ? 53 TYR BD C 1 53 . B ATOM 5403 O O . TYR BD 1 53 ? -25.131 9.782 10.728 1.0 29.1 ? 53 TYR BD O 1 53 . B ATOM 5404 C CB . TYR BD 1 53 ? -25.529 8.056 12.872 1.0 39.02 ? 53 TYR BD CB 1 53 . B ATOM 5405 C CG . TYR BD 1 53 ? -25.731 6.927 13.851 1.0 43.19 ? 53 TYR BD CG 1 53 . B ATOM 5406 C CD1 . TYR BD 1 53 ? -26.451 5.797 13.526 1.0 44.39 ? 53 TYR BD CD1 1 53 . B ATOM 5407 C CD2 . TYR BD 1 53 ? -25.155 6.992 15.143 1.0 47.29 ? 53 TYR BD CD2 1 53 . B ATOM 5408 C CE1 . TYR BD 1 53 ? -26.592 4.748 14.462 1.0 47.16 ? 53 TYR BD CE1 1 53 . B ATOM 5409 C CE2 . TYR BD 1 53 ? -25.337 5.971 16.100 1.0 47.93 ? 53 TYR BD CE2 1 53 . B ATOM 5410 C CZ . TYR BD 1 53 ? -26.029 4.851 15.723 1.0 48.54 ? 53 TYR BD CZ 1 53 . B ATOM 5411 O OH . TYR BD 1 53 ? -26.187 3.865 16.638 1.0 51.39 ? 53 TYR BD OH 1 53 . B ATOM 5412 N N . ARG BD 1 54 ? -27.338 9.653 10.679 1.0 31.16 ? 54 ARG BD N 1 54 . B ATOM 5413 C CA . ARG BD 1 54 ? -27.532 10.994 10.145 1.0 35.84 ? 54 ARG BD CA 1 54 . B ATOM 5414 C C . ARG BD 1 54 ? -27.164 12.079 11.151 1.0 37.85 ? 54 ARG BD C 1 54 . B ATOM 5415 O O . ARG BD 1 54 ? -26.670 13.168 10.763 1.0 38.65 ? 54 ARG BD O 1 54 . B ATOM 5416 C CB . ARG BD 1 54 ? -28.974 11.201 9.636 1.0 38.98 ? 54 ARG BD CB 1 54 . B ATOM 5417 C CG . ARG BD 1 54 ? -29.407 12.668 9.594 1.0 42.26 ? 54 ARG BD CG 1 54 . B ATOM 5418 C CD . ARG BD 1 54 ? -30.138 12.948 8.294 1.0 47.21 ? 54 ARG BD CD 1 54 . B ATOM 5419 N NE . ARG BD 1 54 ? -29.888 11.844 7.354 1.0 50.9 ? 54 ARG BD NE 1 54 . B ATOM 5420 C CZ . ARG BD 1 54 ? -30.103 11.844 6.029 1.0 51.64 ? 54 ARG BD CZ 1 54 . B ATOM 5421 N NH1 . ARG BD 1 54 ? -30.617 12.890 5.380 1.0 52.16 ? 54 ARG BD NH1 1 54 . B ATOM 5422 N NH2 . ARG BD 1 54 ? -29.803 10.757 5.345 1.0 51.57 ? 54 ARG BD NH2 1 54 . B ATOM 5423 N N . SER BD 1 55 ? -27.496 11.800 12.424 1.0 38.04 ? 55 SER BD N 1 55 . B ATOM 5424 C CA . SER BD 1 55 ? -27.245 12.647 13.598 1.0 37.26 ? 55 SER BD CA 1 55 . B ATOM 5425 C C . SER BD 1 55 ? -27.320 11.890 14.975 1.0 34.95 ? 55 SER BD C 1 55 . B ATOM 5426 O O . SER BD 1 55 ? -27.771 10.744 15.063 1.0 31.76 ? 55 SER BD O 1 55 . B ATOM 5427 C CB . SER BD 1 55 ? -27.991 14.002 13.552 1.0 39.59 ? 55 SER BD CB 1 55 . B ATOM 5428 O OG . SER BD 1 55 ? -29.416 13.837 13.455 1.0 42.5 ? 55 SER BD OG 1 55 . B ATOM 5429 N N . LEU BD 1 56 ? -26.780 12.510 16.027 1.0 33.22 ? 56 LEU BD N 1 56 . B ATOM 5430 C CA . LEU BD 1 56 ? -26.745 11.947 17.372 1.0 29.72 ? 56 LEU BD CA 1 56 . B ATOM 5431 C C . LEU BD 1 56 ? -26.471 13.151 18.241 1.0 28.94 ? 56 LEU BD C 1 56 . B ATOM 5432 O O . LEU BD 1 56 ? -25.400 13.771 18.138 1.0 28.06 ? 56 LEU BD O 1 56 . B ATOM 5433 C CB . LEU BD 1 56 ? -25.579 10.977 17.565 1.0 26.05 ? 56 LEU BD CB 1 56 . B ATOM 5434 C CG . LEU BD 1 56 ? -25.434 10.374 18.971 1.0 22.63 ? 56 LEU BD CG 1 56 . B ATOM 5435 C CD1 . LEU BD 1 56 ? -26.443 9.316 19.178 1.0 19.43 ? 56 LEU BD CD1 1 56 . B ATOM 5436 C CD2 . LEU BD 1 56 ? -24.054 9.827 19.232 1.0 22.5 ? 56 LEU BD CD2 1 56 . B ATOM 5437 N N . LEU BD 1 57 ? -27.501 13.490 19.009 1.0 27.72 ? 57 LEU BD N 1 57 . B ATOM 5438 C CA . LEU BD 1 57 ? -27.502 14.603 19.951 1.0 25.81 ? 57 LEU BD CA 1 57 . B ATOM 5439 C C . LEU BD 1 57 ? -27.611 13.996 21.356 1.0 29.06 ? 57 LEU BD C 1 57 . B ATOM 5440 O O . LEU BD 1 57 ? -28.544 13.190 21.710 1.0 29.95 ? 57 LEU BD O 1 57 . B ATOM 5441 C CB . LEU BD 1 57 ? -28.653 15.562 19.735 1.0 21.31 ? 57 LEU BD CB 1 57 . B ATOM 5442 C CG . LEU BD 1 57 ? -28.727 16.502 20.931 1.0 18.49 ? 57 LEU BD CG 1 57 . B ATOM 5443 C CD1 . LEU BD 1 57 ? -27.789 17.778 20.894 1.0 15.32 ? 57 LEU BD CD1 1 57 . B ATOM 5444 C CD2 . LEU BD 1 57 ? -30.188 16.840 21.239 1.0 17.98 ? 57 LEU BD CD2 1 57 . B ATOM 5445 N N . CYS BD 1 58 ? -26.619 14.401 22.140 1.0 28.42 ? 58 CYS BD N 1 58 . B ATOM 5446 C CA . CYS BD 1 58 ? -26.457 14.001 23.521 1.0 26.33 ? 58 CYS BD CA 1 58 . B ATOM 5447 C C . CYS BD 1 58 ? -26.456 15.307 24.373 1.0 22.19 ? 58 CYS BD C 1 58 . B ATOM 5448 O O . CYS BD 1 58 ? -25.537 16.114 24.321 1.0 19.68 ? 58 CYS BD O 1 58 . B ATOM 5449 C CB . CYS BD 1 58 ? -25.127 13.215 23.581 1.0 28.25 ? 58 CYS BD CB 1 58 . B ATOM 5450 S SG . CYS BD 1 58 ? -25.301 11.394 23.502 1.0 29.49 ? 58 CYS BD SG 1 58 . B ATOM 5451 N N . CYS BD 1 59 ? -27.539 15.591 25.074 1.0 23.37 ? 59 CYS BD N 1 59 . B ATOM 5452 C CA . CYS BD 1 59 ? -27.540 16.766 25.963 1.0 26.51 ? 59 CYS BD CA 1 59 . B ATOM 5453 C C . CYS BD 1 59 ? -28.022 16.393 27.461 1.0 27.5 ? 59 CYS BD C 1 59 . B ATOM 5454 O O . CYS BD 1 59 ? -28.731 15.397 27.659 1.0 28.29 ? 59 CYS BD O 1 59 . B ATOM 5455 C CB . CYS BD 1 59 ? -28.355 17.845 25.349 1.0 22.85 ? 59 CYS BD CB 1 59 . B ATOM 5456 S SG . CYS BD 1 59 ? -29.828 16.953 25.043 1.0 24.28 ? 59 CYS BD SG 1 59 . B ATOM 5457 N N . THR BD 1 60 ? -27.616 17.163 28.490 1.0 25.03 ? 60 THR BD N 1 60 . B ATOM 5458 C CA . THR BD 1 60 ? -27.997 16.896 29.909 1.0 20.04 ? 60 THR BD CA 1 60 . B ATOM 5459 C C . THR BD 1 60 ? -28.834 18.046 30.494 1.0 19.02 ? 60 THR BD C 1 60 . B ATOM 5460 O O . THR BD 1 60 ? -28.365 18.880 31.259 1.0 18.98 ? 60 THR BD O 1 60 . B ATOM 5461 C CB . THR BD 1 60 ? -26.722 16.820 30.634 1.0 18.99 ? 60 THR BD CB 1 60 . B ATOM 5462 O OG1 . THR BD 1 60 ? -26.060 18.095 30.558 1.0 17.25 ? 60 THR BD OG1 1 60 . B ATOM 5463 C CG2 . THR BD 1 60 ? -25.865 15.816 29.918 1.0 19.61 ? 60 THR BD CG2 1 60 . B ATOM 5464 N N . THR BD 1 61 ? -30.091 18.107 30.105 1.0 16.76 ? 61 THR BD N 1 61 . B ATOM 5465 C CA . THR BD 1 61 ? -30.933 19.205 30.479 1.0 18.3 ? 61 THR BD CA 1 61 . B ATOM 5466 C C . THR BD 1 61 ? -32.298 18.656 30.174 1.0 18.81 ? 61 THR BD C 1 61 . B ATOM 5467 O O . THR BD 1 61 ? -32.414 17.535 29.688 1.0 17.22 ? 61 THR BD O 1 61 . B ATOM 5468 C CB . THR BD 1 61 ? -30.586 20.411 29.721 1.0 20.62 ? 61 THR BD CB 1 61 . B ATOM 5469 O OG1 . THR BD 1 61 ? -29.568 21.141 30.399 1.0 21.28 ? 61 THR BD OG1 1 61 . B ATOM 5470 C CG2 . THR BD 1 61 ? -31.740 21.263 29.612 1.0 24.31 ? 61 THR BD CG2 1 61 . B ATOM 5471 N N . ASP BD 1 62 ? -33.341 19.275 30.672 1.0 20.3 ? 62 ASP BD N 1 62 . B ATOM 5472 C CA . ASP BD 1 62 ? -34.591 18.567 30.603 1.0 26.48 ? 62 ASP BD CA 1 62 . B ATOM 5473 C C . ASP BD 1 62 ? -35.147 18.552 29.212 1.0 27.19 ? 62 ASP BD C 1 62 . B ATOM 5474 O O . ASP BD 1 62 ? -35.002 19.561 28.565 1.0 29.05 ? 62 ASP BD O 1 62 . B ATOM 5475 C CB . ASP BD 1 62 ? -35.622 19.094 31.667 1.0 32.27 ? 62 ASP BD CB 1 62 . B ATOM 5476 C CG . ASP BD 1 62 ? -35.365 18.581 33.181 1.0 32.79 ? 62 ASP BD CG 1 62 . B ATOM 5477 O OD1 . ASP BD 1 62 ? -34.443 17.739 33.517 1.0 29.89 ? 62 ASP BD OD1 1 62 . B ATOM 5478 O OD2 . ASP BD 1 62 ? -36.168 19.100 34.028 1.0 33.24 ? 62 ASP BD OD2 1 62 . B ATOM 5479 N N . ASN BD 1 63 ? -35.781 17.452 28.793 1.0 27.72 ? 63 ASN BD N 1 63 . B ATOM 5480 C CA . ASN BD 1 63 ? -36.338 17.305 27.432 1.0 31.98 ? 63 ASN BD CA 1 63 . B ATOM 5481 C C . ASN BD 1 63 ? -35.492 18.047 26.323 1.0 28.17 ? 63 ASN BD C 1 63 . B ATOM 5482 O O . ASN BD 1 63 ? -35.998 18.842 25.563 1.0 26.74 ? 63 ASN BD O 1 63 . B ATOM 5483 C CB . ASN BD 1 63 ? -37.790 17.793 27.456 1.0 36.52 ? 63 ASN BD CB 1 63 . B ATOM 5484 C CG . ASN BD 1 63 ? -38.517 17.318 28.704 1.0 39.26 ? 63 ASN BD CG 1 63 . B ATOM 5485 O OD1 . ASN BD 1 63 ? -39.722 17.564 28.897 1.0 40.99 ? 63 ASN BD OD1 1 63 . B ATOM 5486 N ND2 . ASN BD 1 63 ? -37.765 16.642 29.548 1.0 37.73 ? 63 ASN BD ND2 1 63 . B ATOM 5487 N N . CYS BD 1 64 ? -34.176 17.905 26.361 1.0 24.72 ? 64 CYS BD N 1 64 . B ATOM 5488 C CA . CYS BD 1 64 ? -33.402 18.672 25.461 1.0 25.94 ? 64 CYS BD CA 1 64 . B ATOM 5489 C C . CYS BD 1 64 ? -33.296 17.910 24.108 1.0 26.94 ? 64 CYS BD C 1 64 . B ATOM 5490 O O . CYS BD 1 64 ? -33.226 18.471 23.028 1.0 21.26 ? 64 CYS BD O 1 64 . B ATOM 5491 C CB . CYS BD 1 64 ? -32.045 18.952 26.125 1.0 23.77 ? 64 CYS BD CB 1 64 . B ATOM 5492 S SG . CYS BD 1 64 ? -31.123 17.468 26.527 1.0 24.03 ? 64 CYS BD SG 1 64 . B ATOM 5493 N N . ASN BD 1 65 ? -33.339 16.602 24.243 1.0 30.77 ? 65 ASN BD N 1 65 . B ATOM 5494 C CA . ASN BD 1 65 ? -33.348 15.743 23.098 1.0 31.77 ? 65 ASN BD CA 1 65 . B ATOM 5495 C C . ASN BD 1 65 ? -34.490 16.040 22.136 1.0 34.0 ? 65 ASN BD C 1 65 . B ATOM 5496 O O . ASN BD 1 65 ? -35.472 15.308 22.030 1.0 32.35 ? 65 ASN BD O 1 65 . B ATOM 5497 C CB . ASN BD 1 65 ? -33.264 14.247 23.458 1.0 29.3 ? 65 ASN BD CB 1 65 . B ATOM 5498 C CG . ASN BD 1 65 ? -34.438 13.744 24.236 1.0 26.79 ? 65 ASN BD CG 1 65 . B ATOM 5499 O OD1 . ASN BD 1 65 ? -35.171 14.516 24.900 1.0 26.9 ? 65 ASN BD OD1 1 65 . B ATOM 5500 N ND2 . ASN BD 1 65 ? -34.604 12.402 24.210 1.0 24.72 ? 65 ASN BD ND2 1 65 . B ATOM 5501 N N . HIS BD 1 66 ? -34.331 17.134 21.399 1.0 36.58 ? 66 HIS BD N 1 66 . B ATOM 5502 C CA . HIS BD 1 66 ? -35.291 17.422 20.368 1.0 38.26 ? 66 HIS BD CA 1 66 . B ATOM 5503 C C . HIS BD 1 66 ? -34.690 18.201 19.237 1.0 41.64 ? 66 HIS BD C 1 66 . B ATOM 5504 O O . HIS BD 1 66 ? -35.469 18.124 18.245 1.0 44.9 ? 66 HIS BD O 1 66 . B ATOM 5505 C CB . HIS BD 1 66 ? -36.532 18.045 20.832 1.0 39.07 ? 66 HIS BD CB 1 66 . B ATOM 5506 C CG . HIS BD 1 66 ? -36.291 19.340 21.492 1.0 43.4 ? 66 HIS BD CG 1 66 . B ATOM 5507 N ND1 . HIS BD 1 66 ? -35.103 19.617 22.138 1.0 45.2 ? 66 HIS BD ND1 1 66 . B ATOM 5508 C CD2 . HIS BD 1 66 ? -37.070 20.433 21.630 1.0 45.24 ? 66 HIS BD CD2 1 66 . B ATOM 5509 C CE1 . HIS BD 1 66 ? -35.154 20.843 22.628 1.0 46.41 ? 66 HIS BD CE1 1 66 . B ATOM 5510 N NE2 . HIS BD 1 66 ? -36.341 21.356 22.339 1.0 46.36 ? 66 HIS BD NE2 1 66 . B ATOM 5511 O OXT . HIS BD 1 66 ? -33.554 18.783 19.387 1.0 39.81 ? 66 HIS BD OXT 1 66 . B ATOM 5512 N N . ARG BE 1 1 ? -27.711 -22.528 34.342 1.0 28.42 ? 1 ARG BE N 1 1 . B ATOM 5513 C CA . ARG BE 1 1 ? -29.132 -22.489 34.352 1.0 32.83 ? 1 ARG BE CA 1 1 . B ATOM 5514 C C . ARG BE 1 1 ? -29.414 -23.814 33.787 1.0 36.65 ? 1 ARG BE C 1 1 . B ATOM 5515 O O . ARG BE 1 1 ? -28.699 -24.778 34.064 1.0 41.47 ? 1 ARG BE O 1 1 . B ATOM 5516 C CB . ARG BE 1 1 ? -29.570 -21.490 33.314 1.0 36.61 ? 1 ARG BE CB 1 1 . B ATOM 5517 C CG . ARG BE 1 1 ? -28.422 -20.993 32.466 1.0 40.21 ? 1 ARG BE CG 1 1 . B ATOM 5518 C CD . ARG BE 1 1 ? -28.788 -19.706 31.722 1.0 42.87 ? 1 ARG BE CD 1 1 . B ATOM 5519 N NE . ARG BE 1 1 ? -28.629 -18.566 32.610 1.0 46.4 ? 1 ARG BE NE 1 1 . B ATOM 5520 C CZ . ARG BE 1 1 ? -29.541 -18.220 33.530 1.0 48.43 ? 1 ARG BE CZ 1 1 . B ATOM 5521 N NH1 . ARG BE 1 1 ? -30.667 -18.935 33.642 1.0 48.34 ? 1 ARG BE NH1 1 1 . B ATOM 5522 N NH2 . ARG BE 1 1 ? -29.337 -17.175 34.339 1.0 49.01 ? 1 ARG BE NH2 1 1 . B ATOM 5523 N N . THR BE 1 2 ? -30.434 -23.878 32.947 1.0 37.03 ? 2 THR BE N 1 2 . B ATOM 5524 C CA . THR BE 1 2 ? -30.742 -25.096 32.240 1.0 35.87 ? 2 THR BE CA 1 2 . B ATOM 5525 C C . THR BE 1 2 ? -30.611 -24.555 30.847 1.0 35.32 ? 2 THR BE C 1 2 . B ATOM 5526 O O . THR BE 1 2 ? -31.329 -23.649 30.465 1.0 35.79 ? 2 THR BE O 1 2 . B ATOM 5527 C CB . THR BE 1 2 ? -32.186 -25.480 32.300 1.0 37.99 ? 2 THR BE CB 1 2 . B ATOM 5528 O OG1 . THR BE 1 2 ? -32.605 -25.658 33.654 1.0 39.65 ? 2 THR BE OG1 1 2 . B ATOM 5529 C CG2 . THR BE 1 2 ? -32.337 -26.785 31.605 1.0 39.3 ? 2 THR BE CG2 1 2 . B ATOM 5530 N N . CYS BE 1 3 ? -29.708 -25.091 30.052 1.0 34.38 ? 3 CYS BE N 1 3 . B ATOM 5531 C CA . CYS BE 1 3 ? -29.630 -24.571 28.708 1.0 28.7 ? 3 CYS BE CA 1 3 . B ATOM 5532 C C . CYS BE 1 3 ? -29.928 -25.700 27.805 1.0 25.41 ? 3 CYS BE C 1 3 . B ATOM 5533 O O . CYS BE 1 3 ? -29.623 -26.818 28.162 1.0 22.04 ? 3 CYS BE O 1 3 . B ATOM 5534 C CB . CYS BE 1 3 ? -28.237 -24.253 28.392 1.0 26.39 ? 3 CYS BE CB 1 3 . B ATOM 5535 S SG . CYS BE 1 3 ? -27.595 -22.700 28.924 1.0 28.16 ? 3 CYS BE SG 1 3 . B ATOM 5536 N N . LEU BE 1 4 ? -30.387 -25.355 26.585 1.0 27.65 ? 4 LEU BE N 1 4 . B ATOM 5537 C CA . LEU BE 1 4 ? -30.651 -26.316 25.497 1.0 27.08 ? 4 LEU BE CA 1 4 . B ATOM 5538 C C . LEU BE 1 4 ? -29.397 -27.015 25.030 1.0 24.06 ? 4 LEU BE C 1 4 . B ATOM 5539 O O . LEU BE 1 4 ? -28.356 -26.438 25.101 1.0 21.79 ? 4 LEU BE O 1 4 . B ATOM 5540 C CB . LEU BE 1 4 ? -31.354 -25.635 24.374 1.0 27.54 ? 4 LEU BE CB 1 4 . B ATOM 5541 C CG . LEU BE 1 4 ? -32.763 -26.099 24.749 1.0 30.26 ? 4 LEU BE CG 1 4 . B ATOM 5542 C CD1 . LEU BE 1 4 ? -32.784 -27.438 24.157 1.0 28.92 ? 4 LEU BE CD1 1 4 . B ATOM 5543 C CD2 . LEU BE 1 4 ? -33.014 -26.260 26.284 1.0 30.78 ? 4 LEU BE CD2 1 4 . B ATOM 5544 N N . ILE BE 1 5 ? -29.477 -28.275 24.651 1.0 26.01 ? 5 ILE BE N 1 5 . B ATOM 5545 C CA . ILE BE 1 5 ? -28.274 -29.029 24.279 1.0 31.27 ? 5 ILE BE CA 1 5 . B ATOM 5546 C C . ILE BE 1 5 ? -28.203 -29.592 22.849 1.0 34.09 ? 5 ILE BE C 1 5 . B ATOM 5547 O O . ILE BE 1 5 ? -29.089 -30.285 22.364 1.0 31.79 ? 5 ILE BE O 1 5 . B ATOM 5548 C CB . ILE BE 1 5 ? -27.830 -30.053 25.412 1.0 33.14 ? 5 ILE BE CB 1 5 . B ATOM 5549 C CG1 . ILE BE 1 5 ? -26.423 -29.793 25.923 1.0 33.21 ? 5 ILE BE CG1 1 5 . B ATOM 5550 C CG2 . ILE BE 1 5 ? -28.198 -31.494 25.163 1.0 34.55 ? 5 ILE BE CG2 1 5 . B ATOM 5551 C CD1 . ILE BE 1 5 ? -26.512 -28.652 27.033 1.0 32.06 ? 5 ILE BE CD1 1 5 . B ATOM 5552 N N . SER BE 1 6 ? -27.117 -29.258 22.179 1.0 39.64 ? 6 SER BE N 1 6 . B ATOM 5553 C CA . SER BE 1 6 ? -26.876 -29.660 20.785 1.0 44.24 ? 6 SER BE CA 1 6 . B ATOM 5554 C C . SER BE 1 6 ? -27.499 -30.794 19.972 1.0 46.33 ? 6 SER BE C 1 6 . B ATOM 5555 O O . SER BE 1 6 ? -28.170 -30.523 18.959 1.0 51.01 ? 6 SER BE O 1 6 . B ATOM 5556 C CB . SER BE 1 6 ? -25.508 -29.243 20.184 1.0 43.26 ? 6 SER BE CB 1 6 . B ATOM 5557 O OG . SER BE 1 6 ? -24.648 -30.347 20.117 1.0 44.39 ? 6 SER BE OG 1 6 . B ATOM 5558 N N . PRO BE 1 7 ? -27.181 -32.047 20.296 1.0 39.54 ? 7 PRO BE N 1 7 . B ATOM 5559 C CA . PRO BE 1 7 ? -27.632 -33.170 19.431 1.0 34.1 ? 7 PRO BE CA 1 7 . B ATOM 5560 C C . PRO BE 1 7 ? -29.136 -33.092 19.462 1.0 33.39 ? 7 PRO BE C 1 7 . B ATOM 5561 O O . PRO BE 1 7 ? -29.785 -32.606 18.526 1.0 31.86 ? 7 PRO BE O 1 7 . B ATOM 5562 C CB . PRO BE 1 7 ? -27.022 -34.414 20.057 1.0 31.46 ? 7 PRO BE CB 1 7 . B ATOM 5563 C CG . PRO BE 1 7 ? -25.838 -33.819 20.926 1.0 34.47 ? 7 PRO BE CG 1 7 . B ATOM 5564 C CD . PRO BE 1 7 ? -26.371 -32.478 21.447 1.0 36.16 ? 7 PRO BE CD 1 7 . B ATOM 5565 N N . SER BE 1 8 ? -29.683 -33.309 20.645 1.0 33.55 ? 8 SER BE N 1 8 . B ATOM 5566 C CA . SER BE 1 8 ? -31.095 -33.247 20.831 1.0 33.88 ? 8 SER BE CA 1 8 . B ATOM 5567 C C . SER BE 1 8 ? -31.844 -32.023 21.359 1.0 36.48 ? 8 SER BE C 1 8 . B ATOM 5568 O O . SER BE 1 8 ? -33.106 -31.979 21.353 1.0 38.95 ? 8 SER BE O 1 8 . B ATOM 5569 C CB . SER BE 1 8 ? -31.484 -34.337 21.745 1.0 34.58 ? 8 SER BE CB 1 8 . B ATOM 5570 O OG . SER BE 1 8 ? -32.909 -34.183 21.841 1.0 36.6 ? 8 SER BE OG 1 8 . B ATOM 5571 N N . SER BE 1 9 ? -31.131 -31.048 21.883 1.0 36.11 ? 9 SER BE N 1 9 . B ATOM 5572 C CA . SER BE 1 9 ? -31.830 -29.915 22.407 1.0 40.07 ? 9 SER BE CA 1 9 . B ATOM 5573 C C . SER BE 1 9 ? -32.786 -30.274 23.518 1.0 40.49 ? 9 SER BE C 1 9 . B ATOM 5574 O O . SER BE 1 9 ? -33.945 -29.875 23.502 1.0 41.75 ? 9 SER BE O 1 9 . B ATOM 5575 C CB . SER BE 1 9 ? -32.571 -29.257 21.282 1.0 44.18 ? 9 SER BE CB 1 9 . B ATOM 5576 O OG . SER BE 1 9 ? -31.793 -29.536 20.121 1.0 48.67 ? 9 SER BE OG 1 9 . B ATOM 5577 N N . THR BE 1 10 ? -32.281 -30.912 24.547 1.0 39.04 ? 10 THR BE N 1 10 . B ATOM 5578 C CA . THR BE 1 10 ? -33.119 -31.125 25.687 1.0 37.32 ? 10 THR BE CA 1 10 . B ATOM 5579 C C . THR BE 1 10 ? -32.373 -30.224 26.606 1.0 32.97 ? 10 THR BE C 1 10 . B ATOM 5580 O O . THR BE 1 10 ? -31.194 -30.096 26.502 1.0 30.56 ? 10 THR BE O 1 10 . B ATOM 5581 C CB . THR BE 1 10 ? -32.871 -32.469 26.277 1.0 39.43 ? 10 THR BE CB 1 10 . B ATOM 5582 O OG1 . THR BE 1 10 ? -31.892 -33.135 25.455 1.0 39.71 ? 10 THR BE OG1 1 10 . B ATOM 5583 C CG2 . THR BE 1 10 ? -34.225 -33.282 26.374 1.0 40.44 ? 10 THR BE CG2 1 10 . B ATOM 5584 N N . PRO BE 1 11 ? -33.085 -29.597 27.498 1.0 33.52 ? 11 PRO BE N 1 11 . B ATOM 5585 C CA . PRO BE 1 11 ? -32.519 -28.779 28.553 1.0 33.27 ? 11 PRO BE CA 1 11 . B ATOM 5586 C C . PRO BE 1 11 ? -31.600 -29.607 29.517 1.0 34.12 ? 11 PRO BE C 1 11 . B ATOM 5587 O O . PRO BE 1 11 ? -31.818 -30.793 29.746 1.0 32.92 ? 11 PRO BE O 1 11 . B ATOM 5588 C CB . PRO BE 1 11 ? -33.769 -28.364 29.326 1.0 33.21 ? 11 PRO BE CB 1 11 . B ATOM 5589 C CG . PRO BE 1 11 ? -35.036 -29.169 28.642 1.0 33.66 ? 11 PRO BE CG 1 11 . B ATOM 5590 C CD . PRO BE 1 11 ? -34.374 -30.223 27.856 1.0 34.6 ? 11 PRO BE CD 1 11 . B ATOM 5591 N N . GLN BE 1 12 ? -30.578 -28.979 30.101 1.0 35.62 ? 12 GLN BE N 1 12 . B ATOM 5592 C CA . GLN BE 1 12 ? -29.677 -29.653 31.027 1.0 36.01 ? 12 GLN BE CA 1 12 . B ATOM 5593 C C . GLN BE 1 12 ? -29.085 -28.485 31.798 1.0 36.01 ? 12 GLN BE C 1 12 . B ATOM 5594 O O . GLN BE 1 12 ? -28.687 -27.461 31.191 1.0 34.81 ? 12 GLN BE O 1 12 . B ATOM 5595 C CB . GLN BE 1 12 ? -28.588 -30.461 30.322 1.0 38.01 ? 12 GLN BE CB 1 12 . B ATOM 5596 C CG . GLN BE 1 12 ? -27.625 -31.262 31.243 1.0 40.97 ? 12 GLN BE CG 1 12 . B ATOM 5597 C CD . GLN BE 1 12 ? -28.185 -32.618 31.769 1.0 42.0 ? 12 GLN BE CD 1 12 . B ATOM 5598 O OE1 . GLN BE 1 12 ? -29.131 -33.186 31.226 1.0 43.62 ? 12 GLN BE OE1 1 12 . B ATOM 5599 N NE2 . GLN BE 1 12 ? -27.579 -33.147 32.827 1.0 40.74 ? 12 GLN BE NE2 1 12 . B ATOM 5600 N N . THR BE 1 13 ? -29.102 -28.619 33.142 1.0 34.8 ? 13 THR BE N 1 13 . B ATOM 5601 C CA . THR BE 1 13 ? -28.614 -27.566 34.013 1.0 32.34 ? 13 THR BE CA 1 13 . B ATOM 5602 C C . THR BE 1 13 ? -27.144 -27.454 33.934 1.0 24.81 ? 13 THR BE C 1 13 . B ATOM 5603 O O . THR BE 1 13 ? -26.386 -28.453 34.097 1.0 22.61 ? 13 THR BE O 1 13 . B ATOM 5604 C CB . THR BE 1 13 ? -29.024 -27.705 35.500 1.0 39.5 ? 13 THR BE CB 1 13 . B ATOM 5605 O OG1 . THR BE 1 13 ? -27.878 -27.425 36.348 1.0 41.77 ? 13 THR BE OG1 1 13 . B ATOM 5606 C CG2 . THR BE 1 13 ? -29.667 -29.113 35.792 1.0 39.7 ? 13 THR BE CG2 1 13 . B ATOM 5607 N N . CYS BE 1 14 ? -26.733 -26.232 33.658 1.0 21.65 ? 14 CYS BE N 1 14 . B ATOM 5608 C CA . CYS BE 1 14 ? -25.338 -26.030 33.546 1.0 26.99 ? 14 CYS BE CA 1 14 . B ATOM 5609 C C . CYS BE 1 14 ? -24.618 -26.449 34.818 1.0 34.68 ? 14 CYS BE C 1 14 . B ATOM 5610 O O . CYS BE 1 14 ? -25.159 -26.418 35.931 1.0 36.38 ? 14 CYS BE O 1 14 . B ATOM 5611 C CB . CYS BE 1 14 ? -25.060 -24.606 33.213 1.0 28.89 ? 14 CYS BE CB 1 14 . B ATOM 5612 S SG . CYS BE 1 14 ? -25.777 -24.041 31.602 1.0 32.27 ? 14 CYS BE SG 1 14 . B ATOM 5613 N N . PRO BE 1 15 ? -23.412 -26.940 34.624 1.0 39.23 ? 15 PRO BE N 1 15 . B ATOM 5614 C CA . PRO BE 1 15 ? -22.597 -27.322 35.713 1.0 41.76 ? 15 PRO BE CA 1 15 . B ATOM 5615 C C . PRO BE 1 15 ? -22.444 -26.008 36.396 1.0 44.19 ? 15 PRO BE C 1 15 . B ATOM 5616 O O . PRO BE 1 15 ? -22.194 -24.983 35.752 1.0 42.16 ? 15 PRO BE O 1 15 . B ATOM 5617 C CB . PRO BE 1 15 ? -21.346 -27.780 35.002 1.0 41.88 ? 15 PRO BE CB 1 15 . B ATOM 5618 C CG . PRO BE 1 15 ? -21.981 -28.516 33.762 1.0 40.85 ? 15 PRO BE CG 1 15 . B ATOM 5619 C CD . PRO BE 1 15 ? -23.429 -28.046 33.665 1.0 40.02 ? 15 PRO BE CD 1 15 . B ATOM 5620 N N . ASN BE 1 16 ? -22.763 -26.075 37.698 1.0 47.52 ? 16 ASN BE N 1 16 . B ATOM 5621 C CA . ASN BE 1 16 ? -22.719 -24.960 38.629 1.0 48.19 ? 16 ASN BE CA 1 16 . B ATOM 5622 C C . ASN BE 1 16 ? -21.601 -23.968 38.262 1.0 48.66 ? 16 ASN BE C 1 16 . B ATOM 5623 O O . ASN BE 1 16 ? -20.445 -24.373 38.209 1.0 48.17 ? 16 ASN BE O 1 16 . B ATOM 5624 C CB . ASN BE 1 16 ? -22.500 -25.509 40.041 1.0 46.92 ? 16 ASN BE CB 1 16 . B ATOM 5625 C CG . ASN BE 1 16 ? -21.571 -24.624 40.858 1.0 45.5 ? 16 ASN BE CG 1 16 . B ATOM 5626 O OD1 . ASN BE 1 16 ? -21.894 -23.476 41.254 1.0 43.78 ? 16 ASN BE OD1 1 16 . B ATOM 5627 N ND2 . ASN BE 1 16 ? -20.392 -25.144 41.112 1.0 46.37 ? 16 ASN BE ND2 1 16 . B ATOM 5628 N N . GLY BE 1 17 ? -21.951 -22.708 37.980 1.0 49.14 ? 17 GLY BE N 1 17 . B ATOM 5629 C CA . GLY BE 1 17 ? -20.947 -21.747 37.582 1.0 50.07 ? 17 GLY BE CA 1 17 . B ATOM 5630 C C . GLY BE 1 17 ? -21.020 -21.434 36.058 1.0 51.9 ? 17 GLY BE C 1 17 . B ATOM 5631 O O . GLY BE 1 17 ? -20.320 -20.503 35.596 1.0 53.86 ? 17 GLY BE O 1 17 . B ATOM 5632 N N . GLN BE 1 18 ? -21.811 -22.176 35.259 1.0 49.2 ? 18 GLN BE N 1 18 . B ATOM 5633 C CA . GLN BE 1 18 ? -21.904 -21.883 33.781 1.0 46.6 ? 18 GLN BE CA 1 18 . B ATOM 5634 C C . GLN BE 1 18 ? -23.307 -21.349 33.568 1.0 43.5 ? 18 GLN BE C 1 18 . B ATOM 5635 O O . GLN BE 1 18 ? -24.247 -22.090 33.640 1.0 41.54 ? 18 GLN BE O 1 18 . B ATOM 5636 C CB . GLN BE 1 18 ? -21.795 -23.157 32.951 1.0 46.67 ? 18 GLN BE CB 1 18 . B ATOM 5637 C CG . GLN BE 1 18 ? -20.444 -23.431 32.279 1.0 45.89 ? 18 GLN BE CG 1 18 . B ATOM 5638 C CD . GLN BE 1 18 ? -20.115 -24.916 32.396 1.0 45.36 ? 18 GLN BE CD 1 18 . B ATOM 5639 O OE1 . GLN BE 1 18 ? -21.031 -25.740 32.448 1.0 45.04 ? 18 GLN BE OE1 1 18 . B ATOM 5640 N NE2 . GLN BE 1 18 ? -18.817 -25.230 32.482 1.0 44.05 ? 18 GLN BE NE2 1 18 . B ATOM 5641 N N . ASP BE 1 19 ? -23.468 -20.060 33.340 1.0 41.59 ? 19 ASP BE N 1 19 . B ATOM 5642 C CA . ASP BE 1 19 ? -24.787 -19.421 33.306 1.0 41.54 ? 19 ASP BE CA 1 19 . B ATOM 5643 C C . ASP BE 1 19 ? -25.340 -18.930 31.990 1.0 34.69 ? 19 ASP BE C 1 19 . B ATOM 5644 O O . ASP BE 1 19 ? -26.410 -18.366 31.896 1.0 31.84 ? 19 ASP BE O 1 19 . B ATOM 5645 C CB . ASP BE 1 19 ? -24.581 -18.152 34.105 1.0 48.18 ? 19 ASP BE CB 1 19 . B ATOM 5646 C CG . ASP BE 1 19 ? -23.174 -17.552 33.858 1.0 54.38 ? 19 ASP BE CG 1 19 . B ATOM 5647 O OD1 . ASP BE 1 19 ? -22.294 -18.182 33.155 1.0 54.23 ? 19 ASP BE OD1 1 19 . B ATOM 5648 O OD2 . ASP BE 1 19 ? -22.930 -16.430 34.393 1.0 57.63 ? 19 ASP BE OD2 1 19 . B ATOM 5649 N N . ILE BE 1 20 ? -24.532 -19.030 30.984 1.0 32.49 ? 20 ILE BE N 1 20 . B ATOM 5650 C CA . ILE BE 1 20 ? -24.969 -18.541 29.760 1.0 32.55 ? 20 ILE BE CA 1 20 . B ATOM 5651 C C . ILE BE 1 20 ? -24.973 -19.721 28.879 1.0 34.82 ? 20 ILE BE C 1 20 . B ATOM 5652 O O . ILE BE 1 20 ? -24.146 -20.610 28.953 1.0 34.62 ? 20 ILE BE O 1 20 . B ATOM 5653 C CB . ILE BE 1 20 ? -23.981 -17.608 29.322 1.0 31.72 ? 20 ILE BE CB 1 20 . B ATOM 5654 C CG1 . ILE BE 1 20 ? -23.736 -17.761 27.851 1.0 30.1 ? 20 ILE BE CG1 1 20 . B ATOM 5655 C CG2 . ILE BE 1 20 ? -22.760 -17.854 30.082 1.0 32.22 ? 20 ILE BE CG2 1 20 . B ATOM 5656 C CD1 . ILE BE 1 20 ? -23.343 -16.351 27.257 1.0 28.09 ? 20 ILE BE CD1 1 20 . B ATOM 5657 N N . CYS BE 1 21 ? -26.029 -19.738 28.100 1.0 37.35 ? 21 CYS BE N 1 21 . B ATOM 5658 C CA . CYS BE 1 21 ? -26.305 -20.733 27.071 1.0 36.02 ? 21 CYS BE CA 1 21 . B ATOM 5659 C C . CYS BE 1 21 ? -25.845 -20.202 25.707 1.0 35.35 ? 21 CYS BE C 1 21 . B ATOM 5660 O O . CYS BE 1 21 ? -25.946 -19.009 25.462 1.0 36.73 ? 21 CYS BE O 1 21 . B ATOM 5661 C CB . CYS BE 1 21 ? -27.796 -20.622 26.915 1.0 32.81 ? 21 CYS BE CB 1 21 . B ATOM 5662 S SG . CYS BE 1 21 ? -28.699 -21.098 28.382 1.0 28.97 ? 21 CYS BE SG 1 21 . B ATOM 5663 N N . PHE BE 1 22 ? -25.468 -21.031 24.754 1.0 33.91 ? 22 PHE BE N 1 22 . B ATOM 5664 C CA . PHE BE 1 22 ? -25.200 -20.440 23.424 1.0 32.26 ? 22 PHE BE CA 1 22 . B ATOM 5665 C C . PHE BE 1 22 ? -25.707 -21.406 22.392 1.0 30.87 ? 22 PHE BE C 1 22 . B ATOM 5666 O O . PHE BE 1 22 ? -25.820 -22.628 22.632 1.0 29.37 ? 22 PHE BE O 1 22 . B ATOM 5667 C CB . PHE BE 1 22 ? -23.751 -20.377 23.097 1.0 32.47 ? 22 PHE BE CB 1 22 . B ATOM 5668 C CG . PHE BE 1 22 ? -23.094 -21.743 23.139 1.0 35.07 ? 22 PHE BE CG 1 22 . B ATOM 5669 C CD1 . PHE BE 1 22 ? -22.910 -22.400 24.349 1.0 34.95 ? 22 PHE BE CD1 1 22 . B ATOM 5670 C CD2 . PHE BE 1 22 ? -22.618 -22.345 22.001 1.0 36.92 ? 22 PHE BE CD2 1 22 . B ATOM 5671 C CE1 . PHE BE 1 22 ? -22.276 -23.587 24.431 1.0 34.59 ? 22 PHE BE CE1 1 22 . B ATOM 5672 C CE2 . PHE BE 1 22 ? -21.987 -23.562 22.095 1.0 36.52 ? 22 PHE BE CE2 1 22 . B ATOM 5673 C CZ . PHE BE 1 22 ? -21.846 -24.176 23.317 1.0 35.85 ? 22 PHE BE CZ 1 22 . B ATOM 5674 N N . LEU BE 1 23 ? -25.905 -20.834 21.213 1.0 30.74 ? 23 LEU BE N 1 23 . B ATOM 5675 C CA . LEU BE 1 23 ? -26.264 -21.562 19.966 1.0 27.29 ? 23 LEU BE CA 1 23 . B ATOM 5676 C C . LEU BE 1 23 ? -25.238 -21.092 18.940 1.0 25.52 ? 23 LEU BE C 1 23 . B ATOM 5677 O O . LEU BE 1 23 ? -25.093 -19.877 18.670 1.0 22.6 ? 23 LEU BE O 1 23 . B ATOM 5678 C CB . LEU BE 1 23 ? -27.668 -21.179 19.430 1.0 25.56 ? 23 LEU BE CB 1 23 . B ATOM 5679 C CG . LEU BE 1 23 ? -28.369 -22.180 18.500 1.0 23.85 ? 23 LEU BE CG 1 23 . B ATOM 5680 C CD1 . LEU BE 1 23 ? -29.716 -21.603 18.376 1.0 22.98 ? 23 LEU BE CD1 1 23 . B ATOM 5681 C CD2 . LEU BE 1 23 ? -27.712 -22.254 17.111 1.0 24.3 ? 23 LEU BE CD2 1 23 . B ATOM 5682 N N . LYS BE 1 24 ? -24.500 -22.051 18.397 1.0 27.01 ? 24 LYS BE N 1 24 . B ATOM 5683 C CA . LYS BE 1 24 ? -23.551 -21.784 17.334 1.0 26.28 ? 24 LYS BE CA 1 24 . B ATOM 5684 C C . LYS BE 1 24 ? -24.041 -22.527 16.039 1.0 26.95 ? 24 LYS BE C 1 24 . B ATOM 5685 O O . LYS BE 1 24 ? -24.851 -23.497 16.039 1.0 26.03 ? 24 LYS BE O 1 24 . B ATOM 5686 C CB . LYS BE 1 24 ? -22.177 -22.190 17.792 1.0 26.95 ? 24 LYS BE CB 1 24 . B ATOM 5687 C CG . LYS BE 1 24 ? -21.106 -21.944 16.726 1.0 30.49 ? 24 LYS BE CG 1 24 . B ATOM 5688 C CD . LYS BE 1 24 ? -19.694 -22.552 17.064 1.0 31.66 ? 24 LYS BE CD 1 24 . B ATOM 5689 C CE . LYS BE 1 24 ? -19.433 -22.627 18.648 1.0 32.47 ? 24 LYS BE CE 1 24 . B ATOM 5690 N NZ . LYS BE 1 24 ? -17.987 -22.906 19.131 1.0 30.96 ? 24 LYS BE NZ 1 24 . B ATOM 5691 N N . ALA BE 1 25 ? -23.592 -22.029 14.905 1.0 27.73 ? 25 ALA BE N 1 25 . B ATOM 5692 C CA . ALA BE 1 25 ? -23.973 -22.596 13.594 1.0 24.88 ? 25 ALA BE CA 1 25 . B ATOM 5693 C C . ALA BE 1 25 ? -22.950 -22.116 12.657 1.0 24.8 ? 25 ALA BE C 1 25 . B ATOM 5694 O O . ALA BE 1 25 ? -22.829 -20.910 12.484 1.0 22.94 ? 25 ALA BE O 1 25 . B ATOM 5695 C CB . ALA BE 1 25 ? -25.280 -22.050 13.094 1.0 21.86 ? 25 ALA BE CB 1 25 . B ATOM 5696 N N . GLN BE 1 26 ? -22.222 -23.053 12.050 1.0 26.57 ? 26 GLN BE N 1 26 . B ATOM 5697 C CA . GLN BE 1 26 ? -21.274 -22.751 10.998 1.0 26.91 ? 26 GLN BE CA 1 26 . B ATOM 5698 C C . GLN BE 1 26 ? -21.597 -23.684 9.830 1.0 29.25 ? 26 GLN BE C 1 26 . B ATOM 5699 O O . GLN BE 1 26 ? -22.330 -24.680 9.992 1.0 32.63 ? 26 GLN BE O 1 26 . B ATOM 5700 C CB . GLN BE 1 26 ? -19.825 -22.864 11.431 1.0 26.82 ? 26 GLN BE CB 1 26 . B ATOM 5701 C CG . GLN BE 1 26 ? -19.384 -24.014 12.366 1.0 29.13 ? 26 GLN BE CG 1 26 . B ATOM 5702 C CD . GLN BE 1 26 ? -17.858 -23.950 12.666 1.0 32.93 ? 26 GLN BE CD 1 26 . B ATOM 5703 O OE1 . GLN BE 1 26 ? -17.118 -23.122 12.093 1.0 33.78 ? 26 GLN BE OE1 1 26 . B ATOM 5704 N NE2 . GLN BE 1 26 ? -17.387 -24.812 13.576 1.0 35.78 ? 26 GLN BE NE2 1 26 . B ATOM 5705 N N . CYS BE 1 27 ? -21.060 -23.426 8.651 1.0 25.17 ? 27 CYS BE N 1 27 . B ATOM 5706 C CA . CYS BE 1 27 ? -21.330 -24.380 7.577 1.0 24.13 ? 27 CYS BE CA 1 27 . B ATOM 5707 C C . CYS BE 1 27 ? -20.136 -25.275 7.403 1.0 20.33 ? 27 CYS BE C 1 27 . B ATOM 5708 O O . CYS BE 1 27 ? -19.021 -24.829 7.629 1.0 17.91 ? 27 CYS BE O 1 27 . B ATOM 5709 C CB . CYS BE 1 27 ? -21.409 -23.606 6.253 1.0 26.62 ? 27 CYS BE CB 1 27 . B ATOM 5710 S SG . CYS BE 1 27 ? -23.053 -23.017 5.927 1.0 29.35 ? 27 CYS BE SG 1 27 . B ATOM 5711 N N . ASP BE 1 28 ? -20.342 -26.483 6.895 1.0 20.35 ? 28 ASP BE N 1 28 . B ATOM 5712 C CA . ASP BE 1 28 ? -19.206 -27.311 6.502 1.0 25.53 ? 28 ASP BE CA 1 28 . B ATOM 5713 C C . ASP BE 1 28 ? -19.612 -27.641 5.053 1.0 33.21 ? 28 ASP BE C 1 28 . B ATOM 5714 O O . ASP BE 1 28 ? -20.607 -27.106 4.553 1.0 33.98 ? 28 ASP BE O 1 28 . B ATOM 5715 C CB . ASP BE 1 28 ? -19.185 -28.610 7.309 1.0 23.35 ? 28 ASP BE CB 1 28 . B ATOM 5716 C CG . ASP BE 1 28 ? -20.448 -29.276 7.253 1.0 22.15 ? 28 ASP BE CG 1 28 . B ATOM 5717 O OD1 . ASP BE 1 28 ? -21.473 -28.575 7.075 1.0 20.64 ? 28 ASP BE OD1 1 28 . B ATOM 5718 O OD2 . ASP BE 1 28 ? -20.403 -30.478 7.375 1.0 25.21 ? 28 ASP BE OD2 1 28 . B ATOM 5719 N N . LYS BE 1 29 ? -18.909 -28.570 4.392 1.0 39.79 ? 29 LYS BE N 1 29 . B ATOM 5720 C CA . LYS BE 1 29 ? -19.189 -29.010 2.991 1.0 41.3 ? 29 LYS BE CA 1 29 . B ATOM 5721 C C . LYS BE 1 29 ? -20.628 -29.470 2.828 1.0 46.49 ? 29 LYS BE C 1 29 . B ATOM 5722 O O . LYS BE 1 29 ? -21.263 -29.193 1.815 1.0 46.9 ? 29 LYS BE O 1 29 . B ATOM 5723 C CB . LYS BE 1 29 ? -18.356 -30.249 2.599 1.0 40.13 ? 29 LYS BE CB 1 29 . B ATOM 5724 C CG . LYS BE 1 29 ? -16.880 -30.101 2.079 1.0 37.1 ? 29 LYS BE CG 1 29 . B ATOM 5725 C CD . LYS BE 1 29 ? -16.379 -28.658 1.993 1.0 35.35 ? 29 LYS BE CD 1 29 . B ATOM 5726 C CE . LYS BE 1 29 ? -15.073 -28.656 1.204 1.0 35.42 ? 29 LYS BE CE 1 29 . B ATOM 5727 N NZ . LYS BE 1 29 ? -14.109 -27.506 1.506 1.0 36.93 ? 29 LYS BE NZ 1 29 . B ATOM 5728 N N . PHE BE 1 30 ? -21.143 -30.259 3.762 1.0 51.25 ? 30 PHE BE N 1 30 . B ATOM 5729 C CA . PHE BE 1 30 ? -22.516 -30.667 3.528 1.0 54.97 ? 30 PHE BE CA 1 30 . B ATOM 5730 C C . PHE BE 1 30 ? -23.377 -29.512 3.963 1.0 52.42 ? 30 PHE BE C 1 30 . B ATOM 5731 O O . PHE BE 1 30 ? -24.513 -29.813 4.403 1.0 54.44 ? 30 PHE BE O 1 30 . B ATOM 5732 C CB . PHE BE 1 30 ? -23.047 -31.880 4.324 1.0 62.24 ? 30 PHE BE CB 1 30 . B ATOM 5733 C CG . PHE BE 1 30 ? -22.341 -33.208 4.057 1.0 69.92 ? 30 PHE BE CG 1 30 . B ATOM 5734 C CD1 . PHE BE 1 30 ? -22.329 -33.844 2.788 1.0 72.81 ? 30 PHE BE CD1 1 30 . B ATOM 5735 C CD2 . PHE BE 1 30 ? -21.805 -33.916 5.118 1.0 72.19 ? 30 PHE BE CD2 1 30 . B ATOM 5736 C CE1 . PHE BE 1 30 ? -21.638 -35.104 2.593 1.0 72.98 ? 30 PHE BE CE1 1 30 . B ATOM 5737 C CE2 . PHE BE 1 30 ? -21.184 -35.188 4.928 1.0 72.66 ? 30 PHE BE CE2 1 30 . B ATOM 5738 C CZ . PHE BE 1 30 ? -21.108 -35.787 3.668 1.0 72.57 ? 30 PHE BE CZ 1 30 . B ATOM 5739 N N . CYS BE 1 31 ? -22.913 -28.245 3.882 1.0 46.81 ? 31 CYS BE N 1 31 . B ATOM 5740 C CA . CYS BE 1 31 ? -23.812 -27.144 4.302 1.0 44.72 ? 31 CYS BE CA 1 31 . B ATOM 5741 C C . CYS BE 1 31 ? -25.052 -26.905 3.401 1.0 49.87 ? 31 CYS BE C 1 31 . B ATOM 5742 O O . CYS BE 1 31 ? -25.789 -25.911 3.612 1.0 50.1 ? 31 CYS BE O 1 31 . B ATOM 5743 C CB . CYS BE 1 31 ? -23.113 -25.811 4.698 1.0 38.46 ? 31 CYS BE CB 1 31 . B ATOM 5744 S SG . CYS BE 1 31 ? -24.112 -24.735 5.832 1.0 32.08 ? 31 CYS BE SG 1 31 . B ATOM 5745 N N . SER BE 1 32 ? -25.225 -27.808 2.399 1.0 52.97 ? 32 SER BE N 1 32 . B ATOM 5746 C CA . SER BE 1 32 ? -26.260 -27.855 1.329 1.0 52.26 ? 32 SER BE CA 1 32 . B ATOM 5747 C C . SER BE 1 32 ? -27.011 -29.193 1.265 1.0 51.54 ? 32 SER BE C 1 32 . B ATOM 5748 O O . SER BE 1 32 ? -28.009 -29.310 0.588 1.0 52.8 ? 32 SER BE O 1 32 . B ATOM 5749 C CB . SER BE 1 32 ? -25.585 -27.683 -0.028 1.0 54.38 ? 32 SER BE CB 1 32 . B ATOM 5750 O OG . SER BE 1 32 ? -25.180 -28.936 -0.585 1.0 55.31 ? 32 SER BE OG 1 32 . B ATOM 5751 N N . ILE BE 1 33 ? -26.507 -30.204 1.949 1.0 50.75 ? 33 ILE BE N 1 33 . B ATOM 5752 C CA . ILE BE 1 33 ? -27.114 -31.540 2.009 1.0 50.74 ? 33 ILE BE CA 1 33 . B ATOM 5753 C C . ILE BE 1 33 ? -27.834 -31.598 3.371 1.0 52.01 ? 33 ILE BE C 1 33 . B ATOM 5754 O O . ILE BE 1 33 ? -28.806 -32.369 3.562 1.0 51.97 ? 33 ILE BE O 1 33 . B ATOM 5755 C CB . ILE BE 1 33 ? -25.971 -32.658 1.911 1.0 49.29 ? 33 ILE BE CB 1 33 . B ATOM 5756 C CG1 . ILE BE 1 33 ? -25.579 -32.863 0.449 1.0 48.72 ? 33 ILE BE CG1 1 33 . B ATOM 5757 C CG2 . ILE BE 1 33 ? -26.262 -33.984 2.677 1.0 47.84 ? 33 ILE BE CG2 1 33 . B ATOM 5758 C CD1 . ILE BE 1 33 ? -25.828 -31.629 -0.443 1.0 47.79 ? 33 ILE BE CD1 1 33 . B ATOM 5759 N N . ARG BE 1 34 ? -27.365 -30.751 4.303 1.0 51.46 ? 34 ARG BE N 1 34 . B ATOM 5760 C CA . ARG BE 1 34 ? -27.933 -30.719 5.650 1.0 49.65 ? 34 ARG BE CA 1 34 . B ATOM 5761 C C . ARG BE 1 34 ? -28.117 -29.337 6.282 1.0 44.6 ? 34 ARG BE C 1 34 . B ATOM 5762 O O . ARG BE 1 34 ? -29.066 -29.069 7.047 1.0 47.26 ? 34 ARG BE O 1 34 . B ATOM 5763 C CB . ARG BE 1 34 ? -27.061 -31.610 6.577 1.0 50.94 ? 34 ARG BE CB 1 34 . B ATOM 5764 C CG . ARG BE 1 34 ? -26.943 -31.151 8.067 1.0 48.19 ? 34 ARG BE CG 1 34 . B ATOM 5765 C CD . ARG BE 1 34 ? -25.537 -30.760 8.400 1.0 44.2 ? 34 ARG BE CD 1 34 . B ATOM 5766 N NE . ARG BE 1 34 ? -24.668 -31.898 8.261 1.0 43.79 ? 34 ARG BE NE 1 34 . B ATOM 5767 C CZ . ARG BE 1 34 ? -23.347 -31.787 8.187 1.0 47.43 ? 34 ARG BE CZ 1 34 . B ATOM 5768 N NH1 . ARG BE 1 34 ? -22.743 -30.599 8.216 1.0 49.24 ? 34 ARG BE NH1 1 34 . B ATOM 5769 N NH2 . ARG BE 1 34 ? -22.604 -32.861 8.033 1.0 49.07 ? 34 ARG BE NH2 1 34 . B ATOM 5770 N N . GLY BE 1 35 ? -27.195 -28.454 6.005 1.0 36.88 ? 35 GLY BE N 1 35 . B ATOM 5771 C CA . GLY BE 1 35 ? -27.344 -27.201 6.663 1.0 33.47 ? 35 GLY BE CA 1 35 . B ATOM 5772 C C . GLY BE 1 35 ? -26.140 -27.137 7.552 1.0 31.07 ? 35 GLY BE C 1 35 . B ATOM 5773 O O . GLY BE 1 35 ? -25.244 -28.004 7.605 1.0 31.31 ? 35 GLY BE O 1 35 . B ATOM 5774 N N . PRO BE 1 36 ? -26.063 -26.043 8.236 1.0 30.07 ? 36 PRO BE N 1 36 . B ATOM 5775 C CA . PRO BE 1 36 ? -24.936 -25.865 9.127 1.0 31.28 ? 36 PRO BE CA 1 36 . B ATOM 5776 C C . PRO BE 1 36 ? -24.999 -26.798 10.323 1.0 32.29 ? 36 PRO BE C 1 36 . B ATOM 5777 O O . PRO BE 1 36 ? -26.096 -27.313 10.778 1.0 31.8 ? 36 PRO BE O 1 36 . B ATOM 5778 C CB . PRO BE 1 36 ? -25.058 -24.398 9.581 1.0 32.1 ? 36 PRO BE CB 1 36 . B ATOM 5779 C CG . PRO BE 1 36 ? -26.555 -24.028 9.373 1.0 31.65 ? 36 PRO BE CG 1 36 . B ATOM 5780 C CD . PRO BE 1 36 ? -27.232 -25.240 8.590 1.0 30.57 ? 36 PRO BE CD 1 36 . B ATOM 5781 N N . VAL BE 1 37 ? -23.786 -27.001 10.821 1.0 32.92 ? 37 VAL BE N 1 37 . B ATOM 5782 C CA . VAL BE 1 37 ? -23.551 -27.758 12.039 1.0 34.18 ? 37 VAL BE CA 1 37 . B ATOM 5783 C C . VAL BE 1 37 ? -24.066 -26.864 13.197 1.0 33.24 ? 37 VAL BE C 1 37 . B ATOM 5784 O O . VAL BE 1 37 ? -23.633 -25.723 13.388 1.0 32.06 ? 37 VAL BE O 1 37 . B ATOM 5785 C CB . VAL BE 1 37 ? -22.065 -27.891 12.236 1.0 36.87 ? 37 VAL BE CB 1 37 . B ATOM 5786 C CG1 . VAL BE 1 37 ? -21.785 -29.024 13.145 1.0 38.72 ? 37 VAL BE CG1 1 37 . B ATOM 5787 C CG2 . VAL BE 1 37 ? -21.346 -27.998 10.901 1.0 36.04 ? 37 VAL BE CG2 1 37 . B ATOM 5788 N N . ILE BE 1 38 ? -25.025 -27.363 13.953 1.0 34.12 ? 38 ILE BE N 1 38 . B ATOM 5789 C CA . ILE BE 1 38 ? -25.553 -26.575 15.050 1.0 34.84 ? 38 ILE BE CA 1 38 . B ATOM 5790 C C . ILE BE 1 38 ? -25.175 -27.206 16.387 1.0 35.76 ? 38 ILE BE C 1 38 . B ATOM 5791 O O . ILE BE 1 38 ? -25.501 -28.371 16.674 1.0 36.5 ? 38 ILE BE O 1 38 . B ATOM 5792 C CB . ILE BE 1 38 ? -27.019 -26.439 14.918 1.0 33.36 ? 38 ILE BE CB 1 38 . B ATOM 5793 C CG1 . ILE BE 1 38 ? -27.287 -25.216 14.096 1.0 32.58 ? 38 ILE BE CG1 1 38 . B ATOM 5794 C CG2 . ILE BE 1 38 ? -27.735 -26.425 16.251 1.0 34.36 ? 38 ILE BE CG2 1 38 . B ATOM 5795 C CD1 . ILE BE 1 38 ? -28.626 -25.324 13.515 1.0 31.72 ? 38 ILE BE CD1 1 38 . B ATOM 5796 N N . GLU BE 1 39 ? -24.437 -26.421 17.160 1.0 34.55 ? 39 GLU BE N 1 39 . B ATOM 5797 C CA . GLU BE 1 39 ? -23.977 -26.820 18.488 1.0 32.88 ? 39 GLU BE CA 1 39 . B ATOM 5798 C C . GLU BE 1 39 ? -24.573 -25.835 19.588 1.0 30.32 ? 39 GLU BE C 1 39 . B ATOM 5799 O O . GLU BE 1 39 ? -24.425 -24.605 19.494 1.0 29.11 ? 39 GLU BE O 1 39 . B ATOM 5800 C CB . GLU BE 1 39 ? -22.461 -26.813 18.448 1.0 32.37 ? 39 GLU BE CB 1 39 . B ATOM 5801 C CG . GLU BE 1 39 ? -21.889 -26.632 19.781 1.0 36.39 ? 39 GLU BE CG 1 39 . B ATOM 5802 C CD . GLU BE 1 39 ? -20.427 -26.345 19.769 1.0 39.11 ? 39 GLU BE CD 1 39 . B ATOM 5803 O OE1 . GLU BE 1 39 ? -20.064 -25.245 19.304 1.0 40.28 ? 39 GLU BE OE1 1 39 . B ATOM 5804 O OE2 . GLU BE 1 39 ? -19.646 -27.198 20.260 1.0 40.29 ? 39 GLU BE OE2 1 39 . B ATOM 5805 N N . GLN BE 1 40 ? -25.315 -26.343 20.574 1.0 29.78 ? 40 GLN BE N 1 40 . B ATOM 5806 C CA . GLN BE 1 40 ? -25.892 -25.457 21.632 1.0 28.2 ? 40 GLN BE CA 1 40 . B ATOM 5807 C C . GLN BE 1 40 ? -25.693 -25.972 23.028 1.0 31.31 ? 40 GLN BE C 1 40 . B ATOM 5808 O O . GLN BE 1 40 ? -25.983 -27.132 23.304 1.0 31.49 ? 40 GLN BE O 1 40 . B ATOM 5809 C CB . GLN BE 1 40 ? -27.365 -25.293 21.488 1.0 23.23 ? 40 GLN BE CB 1 40 . B ATOM 5810 C CG . GLN BE 1 40 ? -27.980 -26.558 21.434 1.0 21.48 ? 40 GLN BE CG 1 40 . B ATOM 5811 C CD . GLN BE 1 40 ? -29.224 -26.387 20.697 1.0 23.38 ? 40 GLN BE CD 1 40 . B ATOM 5812 O OE1 . GLN BE 1 40 ? -29.774 -27.359 20.144 1.0 27.19 ? 40 GLN BE OE1 1 40 . B ATOM 5813 N NE2 . GLN BE 1 40 ? -29.689 -25.151 20.638 1.0 19.36 ? 40 GLN BE NE2 1 40 . B ATOM 5814 N N . GLY BE 1 41 ? -25.213 -25.106 23.910 1.0 34.04 ? 41 GLY BE N 1 41 . B ATOM 5815 C CA . GLY BE 1 41 ? -25.004 -25.506 25.310 1.0 34.9 ? 41 GLY BE CA 1 41 . B ATOM 5816 C C . GLY BE 1 41 ? -24.763 -24.469 26.445 1.0 32.87 ? 41 GLY BE C 1 41 . B ATOM 5817 O O . GLY BE 1 41 ? -25.267 -23.318 26.430 1.0 31.21 ? 41 GLY BE O 1 41 . B ATOM 5818 N N . CYS BE 1 42 ? -23.977 -24.925 27.426 1.0 31.15 ? 42 CYS BE N 1 42 . B ATOM 5819 C CA . CYS BE 1 42 ? -23.664 -24.116 28.570 1.0 31.07 ? 42 CYS BE CA 1 42 . B ATOM 5820 C C . CYS BE 1 42 ? -22.287 -23.662 28.370 1.0 31.97 ? 42 CYS BE C 1 42 . B ATOM 5821 O O . CYS BE 1 42 ? -21.445 -24.436 27.979 1.0 30.84 ? 42 CYS BE O 1 42 . B ATOM 5822 C CB . CYS BE 1 42 ? -23.576 -24.973 29.841 1.0 30.27 ? 42 CYS BE CB 1 42 . B ATOM 5823 S SG . CYS BE 1 42 ? -25.141 -25.636 30.534 1.0 31.37 ? 42 CYS BE SG 1 42 . B ATOM 5824 N N . VAL BE 1 43 ? -22.040 -22.437 28.765 1.0 33.8 ? 43 VAL BE N 1 43 . B ATOM 5825 C CA . VAL BE 1 43 ? -20.701 -21.953 28.773 1.0 38.95 ? 43 VAL BE CA 1 43 . B ATOM 5826 C C . VAL BE 1 43 ? -20.432 -21.101 30.096 1.0 47.68 ? 43 VAL BE C 1 43 . B ATOM 5827 O O . VAL BE 1 43 ? -21.294 -21.097 31.034 1.0 50.22 ? 43 VAL BE O 1 43 . B ATOM 5828 C CB . VAL BE 1 43 ? -20.188 -21.429 27.390 1.0 35.8 ? 43 VAL BE CB 1 43 . B ATOM 5829 C CG1 . VAL BE 1 43 ? -20.284 -22.460 26.365 1.0 35.33 ? 43 VAL BE CG1 1 43 . B ATOM 5830 C CG2 . VAL BE 1 43 ? -20.881 -20.192 26.929 1.0 35.21 ? 43 VAL BE CG2 1 43 . B ATOM 5831 N N . ALA BE 1 44 ? -19.242 -20.471 30.195 1.0 49.82 ? 44 ALA BE N 1 44 . B ATOM 5832 C CA . ALA BE 1 44 ? -18.799 -19.613 31.318 1.0 50.54 ? 44 ALA BE CA 1 44 . B ATOM 5833 C C . ALA BE 1 44 ? -18.780 -18.195 30.749 1.0 50.33 ? 44 ALA BE C 1 44 . B ATOM 5834 O O . ALA BE 1 44 ? -19.382 -17.273 31.295 1.0 50.97 ? 44 ALA BE O 1 44 . B ATOM 5835 C CB . ALA BE 1 44 ? -17.376 -20.020 31.761 1.0 50.32 ? 44 ALA BE CB 1 44 . B ATOM 5836 N N . THR BE 1 45 ? -18.093 -18.074 29.614 1.0 49.97 ? 45 THR BE N 1 45 . B ATOM 5837 C CA . THR BE 1 45 ? -17.978 -16.847 28.834 1.0 50.01 ? 45 THR BE CA 1 45 . B ATOM 5838 C C . THR BE 1 45 ? -18.495 -16.999 27.349 1.0 49.24 ? 45 THR BE C 1 45 . B ATOM 5839 O O . THR BE 1 45 ? -18.358 -18.071 26.719 1.0 49.68 ? 45 THR BE O 1 45 . B ATOM 5840 C CB . THR BE 1 45 ? -16.628 -16.125 29.141 1.0 49.64 ? 45 THR BE CB 1 45 . B ATOM 5841 O OG1 . THR BE 1 45 ? -15.784 -16.007 27.980 1.0 51.0 ? 45 THR BE OG1 1 45 . B ATOM 5842 C CG2 . THR BE 1 45 ? -15.905 -16.899 30.227 1.0 48.28 ? 45 THR BE CG2 1 45 . B ATOM 5843 N N . CYS BE 1 46 ? -19.200 -15.989 26.838 1.0 46.2 ? 46 CYS BE N 1 46 . B ATOM 5844 C CA . CYS BE 1 46 ? -19.752 -16.090 25.493 1.0 43.04 ? 46 CYS BE CA 1 46 . B ATOM 5845 C C . CYS BE 1 46 ? -18.570 -16.263 24.574 1.0 44.52 ? 46 CYS BE C 1 46 . B ATOM 5846 O O . CYS BE 1 46 ? -17.532 -15.610 24.761 1.0 45.42 ? 46 CYS BE O 1 46 . B ATOM 5847 C CB . CYS BE 1 46 ? -20.473 -14.818 25.122 1.0 39.54 ? 46 CYS BE CB 1 46 . B ATOM 5848 S SG . CYS BE 1 46 ? -21.001 -14.875 23.396 1.0 35.86 ? 46 CYS BE SG 1 46 . B ATOM 5849 N N . PRO BE 1 47 ? -18.716 -17.151 23.604 1.0 44.54 ? 47 PRO BE N 1 47 . B ATOM 5850 C CA . PRO BE 1 47 ? -17.662 -17.464 22.691 1.0 45.96 ? 47 PRO BE CA 1 47 . B ATOM 5851 C C . PRO BE 1 47 ? -17.246 -16.360 21.762 1.0 48.9 ? 47 PRO BE C 1 47 . B ATOM 5852 O O . PRO BE 1 47 ? -18.032 -15.456 21.419 1.0 50.46 ? 47 PRO BE O 1 47 . B ATOM 5853 C CB . PRO BE 1 47 ? -18.229 -18.673 21.954 1.0 44.35 ? 47 PRO BE CB 1 47 . B ATOM 5854 C CG . PRO BE 1 47 ? -18.823 -19.440 23.030 1.0 42.77 ? 47 PRO BE CG 1 47 . B ATOM 5855 C CD . PRO BE 1 47 ? -19.398 -18.389 23.990 1.0 44.63 ? 47 PRO BE CD 1 47 . B ATOM 5856 N N . GLN BE 1 48 ? -15.987 -16.433 21.376 1.0 50.58 ? 48 GLN BE N 1 48 . B ATOM 5857 C CA . GLN BE 1 48 ? -15.470 -15.407 20.520 1.0 54.57 ? 48 GLN BE CA 1 48 . B ATOM 5858 C C . GLN BE 1 48 ? -16.089 -15.451 19.128 1.0 52.95 ? 48 GLN BE C 1 48 . B ATOM 5859 O O . GLN BE 1 48 ? -16.172 -16.556 18.541 1.0 52.61 ? 48 GLN BE O 1 48 . B ATOM 5860 C CB . GLN BE 1 48 ? -13.939 -15.451 20.479 1.0 59.66 ? 48 GLN BE CB 1 48 . B ATOM 5861 C CG . GLN BE 1 48 ? -13.272 -14.548 21.531 1.0 64.39 ? 48 GLN BE CG 1 48 . B ATOM 5862 C CD . GLN BE 1 48 ? -14.061 -13.230 21.887 1.0 68.06 ? 48 GLN BE CD 1 48 . B ATOM 5863 O OE1 . GLN BE 1 48 ? -13.762 -12.128 21.357 1.0 68.25 ? 48 GLN BE OE1 1 48 . B ATOM 5864 N NE2 . GLN BE 1 48 ? -15.028 -13.337 22.833 1.0 69.34 ? 48 GLN BE NE2 1 48 . B ATOM 5865 N N . PHE BE 1 49 ? -16.536 -14.284 18.611 1.0 50.79 ? 49 PHE BE N 1 49 . B ATOM 5866 C CA . PHE BE 1 49 ? -17.064 -14.340 17.275 1.0 48.98 ? 49 PHE BE CA 1 49 . B ATOM 5867 C C . PHE BE 1 49 ? -16.018 -14.890 16.312 1.0 52.84 ? 49 PHE BE C 1 49 . B ATOM 5868 O O . PHE BE 1 49 ? -14.779 -14.764 16.480 1.0 51.84 ? 49 PHE BE O 1 49 . B ATOM 5869 C CB . PHE BE 1 49 ? -17.825 -13.155 16.739 1.0 44.15 ? 49 PHE BE CB 1 49 . B ATOM 5870 C CG . PHE BE 1 49 ? -18.628 -13.520 15.512 1.0 41.72 ? 49 PHE BE CG 1 49 . B ATOM 5871 C CD1 . PHE BE 1 49 ? -19.563 -14.544 15.578 1.0 40.87 ? 49 PHE BE CD1 1 49 . B ATOM 5872 C CD2 . PHE BE 1 49 ? -18.389 -12.935 14.275 1.0 39.52 ? 49 PHE BE CD2 1 49 . B ATOM 5873 C CE1 . PHE BE 1 49 ? -20.294 -14.911 14.469 1.0 38.59 ? 49 PHE BE CE1 1 49 . B ATOM 5874 C CE2 . PHE BE 1 49 ? -19.130 -13.312 13.153 1.0 36.19 ? 49 PHE BE CE2 1 49 . B ATOM 5875 C CZ . PHE BE 1 49 ? -20.060 -14.304 13.275 1.0 36.36 ? 49 PHE BE CZ 1 49 . B ATOM 5876 N N . ARG BE 1 50 ? -16.523 -15.635 15.357 1.0 56.12 ? 50 ARG BE N 1 50 . B ATOM 5877 C CA . ARG BE 1 50 ? -15.617 -16.274 14.461 1.0 59.09 ? 50 ARG BE CA 1 50 . B ATOM 5878 C C . ARG BE 1 50 ? -16.216 -16.086 13.086 1.0 59.28 ? 50 ARG BE C 1 50 . B ATOM 5879 O O . ARG BE 1 50 ? -17.359 -16.416 12.820 1.0 60.92 ? 50 ARG BE O 1 50 . B ATOM 5880 C CB . ARG BE 1 50 ? -15.446 -17.721 14.906 1.0 62.29 ? 50 ARG BE CB 1 50 . B ATOM 5881 C CG . ARG BE 1 50 ? -14.553 -18.498 14.072 1.0 66.79 ? 50 ARG BE CG 1 50 . B ATOM 5882 C CD . ARG BE 1 50 ? -13.649 -17.523 13.420 1.0 71.34 ? 50 ARG BE CD 1 50 . B ATOM 5883 N NE . ARG BE 1 50 ? -12.746 -17.001 14.422 1.0 75.49 ? 50 ARG BE NE 1 50 . B ATOM 5884 C CZ . ARG BE 1 50 ? -11.906 -17.792 15.086 1.0 78.81 ? 50 ARG BE CZ 1 50 . B ATOM 5885 N NH1 . ARG BE 1 50 ? -11.905 -19.110 14.831 1.0 79.36 ? 50 ARG BE NH1 1 50 . B ATOM 5886 N NH2 . ARG BE 1 50 ? -11.067 -17.284 15.992 1.0 79.91 ? 50 ARG BE NH2 1 50 . B ATOM 5887 N N . SER BE 1 51 ? -15.424 -15.422 12.266 1.0 58.04 ? 51 SER BE N 1 51 . B ATOM 5888 C CA . SER BE 1 51 ? -15.713 -15.096 10.892 1.0 57.4 ? 51 SER BE CA 1 51 . B ATOM 5889 C C . SER BE 1 51 ? -16.526 -16.169 10.161 1.0 54.55 ? 51 SER BE C 1 51 . B ATOM 5890 O O . SER BE 1 51 ? -17.622 -15.908 9.617 1.0 54.9 ? 51 SER BE O 1 51 . B ATOM 5891 C CB . SER BE 1 51 ? -14.356 -14.996 10.209 1.0 60.57 ? 51 SER BE CB 1 51 . B ATOM 5892 O OG . SER BE 1 51 ? -13.351 -15.555 11.044 1.0 62.61 ? 51 SER BE OG 1 51 . B ATOM 5893 N N . ASN BE 1 52 ? -15.976 -17.378 10.138 1.0 50.43 ? 52 ASN BE N 1 52 . B ATOM 5894 C CA . ASN BE 1 52 ? -16.612 -18.491 9.459 1.0 46.89 ? 52 ASN BE CA 1 52 . B ATOM 5895 C C . ASN BE 1 52 ? -17.854 -19.004 10.124 1.0 43.86 ? 52 ASN BE C 1 52 . B ATOM 5896 O O . ASN BE 1 52 ? -18.090 -20.207 10.072 1.0 45.05 ? 52 ASN BE O 1 52 . B ATOM 5897 C CB . ASN BE 1 52 ? -15.653 -19.666 9.411 1.0 47.85 ? 52 ASN BE CB 1 52 . B ATOM 5898 C CG . ASN BE 1 52 ? -14.927 -19.891 10.710 1.0 48.34 ? 52 ASN BE CG 1 52 . B ATOM 5899 O OD1 . ASN BE 1 52 ? -13.788 -19.444 10.862 1.0 48.77 ? 52 ASN BE OD1 1 52 . B ATOM 5900 N ND2 . ASN BE 1 52 ? -15.561 -20.630 11.642 1.0 47.58 ? 52 ASN BE ND2 1 52 . B ATOM 5901 N N . TYR BE 1 53 ? -18.639 -18.136 10.746 1.0 39.06 ? 53 TYR BE N 1 53 . B ATOM 5902 C CA . TYR BE 1 53 ? -19.787 -18.624 11.453 1.0 35.95 ? 53 TYR BE CA 1 53 . B ATOM 5903 C C . TYR BE 1 53 ? -20.996 -18.054 10.863 1.0 30.55 ? 53 TYR BE C 1 53 . B ATOM 5904 O O . TYR BE 1 53 ? -21.037 -16.873 10.728 1.0 29.1 ? 53 TYR BE O 1 53 . B ATOM 5905 C CB . TYR BE 1 53 ? -19.741 -18.081 12.872 1.0 39.02 ? 53 TYR BE CB 1 53 . B ATOM 5906 C CG . TYR BE 1 53 ? -18.864 -18.820 13.851 1.0 43.19 ? 53 TYR BE CG 1 53 . B ATOM 5907 C CD1 . TYR BE 1 53 ? -18.246 -20.009 13.526 1.0 44.39 ? 53 TYR BE CD1 1 53 . B ATOM 5908 C CD2 . TYR BE 1 53 ? -18.633 -18.289 15.143 1.0 47.29 ? 53 TYR BE CD2 1 53 . B ATOM 5909 C CE1 . TYR BE 1 53 ? -17.408 -20.655 14.462 1.0 47.16 ? 53 TYR BE CE1 1 53 . B ATOM 5910 C CE2 . TYR BE 1 53 ? -17.839 -18.957 16.100 1.0 47.93 ? 53 TYR BE CE2 1 53 . B ATOM 5911 C CZ . TYR BE 1 53 ? -17.216 -20.116 15.723 1.0 48.54 ? 53 TYR BE CZ 1 53 . B ATOM 5912 O OH . TYR BE 1 53 ? -16.441 -20.746 16.638 1.0 51.39 ? 53 TYR BE OH 1 53 . B ATOM 5913 N N . ARG BE 1 54 ? -22.029 -18.849 10.679 1.0 31.16 ? 54 ARG BE N 1 54 . B ATOM 5914 C CA . ARG BE 1 54 ? -23.287 -18.346 10.145 1.0 35.84 ? 54 ARG BE CA 1 54 . B ATOM 5915 C C . ARG BE 1 54 ? -24.043 -17.485 11.151 1.0 37.85 ? 54 ARG BE C 1 54 . B ATOM 5916 O O . ARG BE 1 54 ? -24.739 -16.513 10.763 1.0 38.65 ? 54 ARG BE O 1 54 . B ATOM 5917 C CB . ARG BE 1 54 ? -24.187 -19.492 9.636 1.0 38.98 ? 54 ARG BE CB 1 54 . B ATOM 5918 C CG . ARG BE 1 54 ? -25.674 -19.133 9.594 1.0 42.26 ? 54 ARG BE CG 1 54 . B ATOM 5919 C CD . ARG BE 1 54 ? -26.282 -19.626 8.294 1.0 47.21 ? 54 ARG BE CD 1 54 . B ATOM 5920 N NE . ARG BE 1 54 ? -25.201 -19.962 7.354 1.0 50.9 ? 54 ARG BE NE 1 54 . B ATOM 5921 C CZ . ARG BE 1 54 ? -25.309 -20.148 6.029 1.0 51.64 ? 54 ARG BE CZ 1 54 . B ATOM 5922 N NH1 . ARG BE 1 54 ? -26.472 -20.070 5.380 1.0 52.16 ? 54 ARG BE NH1 1 54 . B ATOM 5923 N NH2 . ARG BE 1 54 ? -24.217 -20.432 5.345 1.0 51.57 ? 54 ARG BE NH2 1 54 . B ATOM 5924 N N . SER BE 1 55 ? -23.967 -17.912 12.424 1.0 38.04 ? 55 SER BE N 1 55 . B ATOM 5925 C CA . SER BE 1 55 ? -24.575 -17.271 13.598 1.0 37.26 ? 55 SER BE CA 1 55 . B ATOM 5926 C C . SER BE 1 55 ? -23.957 -17.715 14.975 1.0 34.95 ? 55 SER BE C 1 55 . B ATOM 5927 O O . SER BE 1 55 ? -23.190 -18.679 15.063 1.0 31.76 ? 55 SER BE O 1 55 . B ATOM 5928 C CB . SER BE 1 55 ? -26.122 -17.240 13.552 1.0 39.59 ? 55 SER BE CB 1 55 . B ATOM 5929 O OG . SER BE 1 55 ? -26.691 -18.557 13.455 1.0 42.5 ? 55 SER BE OG 1 55 . B ATOM 5930 N N . LEU BE 1 56 ? -24.224 -16.937 16.027 1.0 33.22 ? 56 LEU BE N 1 56 . B ATOM 5931 C CA . LEU BE 1 56 ? -23.719 -17.188 17.372 1.0 29.72 ? 56 LEU BE CA 1 56 . B ATOM 5932 C C . LEU BE 1 56 ? -24.624 -16.349 18.241 1.0 28.94 ? 56 LEU BE C 1 56 . B ATOM 5933 O O . LEU BE 1 56 ? -24.626 -15.111 18.138 1.0 28.06 ? 56 LEU BE O 1 56 . B ATOM 5934 C CB . LEU BE 1 56 ? -22.296 -16.663 17.565 1.0 26.05 ? 56 LEU BE CB 1 56 . B ATOM 5935 C CG . LEU BE 1 56 ? -21.701 -16.840 18.971 1.0 22.63 ? 56 LEU BE CG 1 56 . B ATOM 5936 C CD1 . LEU BE 1 56 ? -21.289 -18.242 19.178 1.0 19.43 ? 56 LEU BE CD1 1 56 . B ATOM 5937 C CD2 . LEU BE 1 56 ? -20.538 -15.918 19.232 1.0 22.5 ? 56 LEU BE CD2 1 56 . B ATOM 5938 N N . LEU BE 1 57 ? -25.433 -17.072 19.009 1.0 27.72 ? 57 LEU BE N 1 57 . B ATOM 5939 C CA . LEU BE 1 57 ? -26.398 -16.516 19.951 1.0 25.81 ? 57 LEU BE CA 1 57 . B ATOM 5940 C C . LEU BE 1 57 ? -25.927 -16.914 21.356 1.0 29.06 ? 57 LEU BE C 1 57 . B ATOM 5941 O O . LEU BE 1 57 ? -25.695 -18.125 21.710 1.0 29.95 ? 57 LEU BE O 1 57 . B ATOM 5942 C CB . LEU BE 1 57 ? -27.804 -17.033 19.735 1.0 21.31 ? 57 LEU BE CB 1 57 . B ATOM 5943 C CG . LEU BE 1 57 ? -28.655 -16.627 20.931 1.0 18.49 ? 57 LEU BE CG 1 57 . B ATOM 5944 C CD1 . LEU BE 1 57 ? -29.291 -15.177 20.894 1.0 15.32 ? 57 LEU BE CD1 1 57 . B ATOM 5945 C CD2 . LEU BE 1 57 ? -29.678 -17.724 21.239 1.0 17.98 ? 57 LEU BE CD2 1 57 . B ATOM 5946 N N . CYS BE 1 58 ? -25.781 -15.852 22.140 1.0 28.42 ? 58 CYS BE N 1 58 . B ATOM 5947 C CA . CYS BE 1 58 ? -25.354 -15.912 23.521 1.0 26.33 ? 58 CYS BE CA 1 58 . B ATOM 5948 C C . CYS BE 1 58 ? -26.484 -15.258 24.373 1.0 22.19 ? 58 CYS BE C 1 58 . B ATOM 5949 O O . CYS BE 1 58 ? -26.724 -14.059 24.321 1.0 19.68 ? 58 CYS BE O 1 58 . B ATOM 5950 C CB . CYS BE 1 58 ? -24.008 -15.153 23.581 1.0 28.25 ? 58 CYS BE CB 1 58 . B ATOM 5951 S SG . CYS BE 1 58 ? -22.518 -16.214 23.502 1.0 29.49 ? 58 CYS BE SG 1 58 . B ATOM 5952 N N . CYS BE 1 59 ? -27.272 -16.054 25.074 1.0 23.37 ? 59 CYS BE N 1 59 . B ATOM 5953 C CA . CYS BE 1 59 ? -28.290 -15.467 25.963 1.0 26.51 ? 59 CYS BE CA 1 59 . B ATOM 5954 C C . CYS BE 1 59 ? -28.208 -16.071 27.461 1.0 27.5 ? 59 CYS BE C 1 59 . B ATOM 5955 O O . CYS BE 1 59 ? -27.700 -17.183 27.659 1.0 28.29 ? 59 CYS BE O 1 59 . B ATOM 5956 C CB . CYS BE 1 59 ? -29.632 -15.634 25.349 1.0 22.85 ? 59 CYS BE CB 1 59 . B ATOM 5957 S SG . CYS BE 1 59 ? -29.596 -17.355 25.043 1.0 24.28 ? 59 CYS BE SG 1 59 . B ATOM 5958 N N . THR BE 1 60 ? -28.672 -15.335 28.490 1.0 25.03 ? 60 THR BE N 1 60 . B ATOM 5959 C CA . THR BE 1 60 ? -28.631 -15.798 29.909 1.0 20.04 ? 60 THR BE CA 1 60 . B ATOM 5960 C C . THR BE 1 60 ? -30.045 -15.948 30.494 1.0 19.02 ? 60 THR BE C 1 60 . B ATOM 5961 O O . THR BE 1 60 ? -30.533 -15.125 31.259 1.0 18.98 ? 60 THR BE O 1 60 . B ATOM 5962 C CB . THR BE 1 60 ? -27.928 -14.732 30.634 1.0 18.99 ? 60 THR BE CB 1 60 . B ATOM 5963 O OG1 . THR BE 1 60 ? -28.701 -13.521 30.558 1.0 17.25 ? 60 THR BE OG1 1 60 . B ATOM 5964 C CG2 . THR BE 1 60 ? -26.630 -14.492 29.918 1.0 19.61 ? 60 THR BE CG2 1 60 . B ATOM 5965 N N . THR BE 1 61 ? -30.727 -17.006 30.105 1.0 16.76 ? 61 THR BE N 1 61 . B ATOM 5966 C CA . THR BE 1 61 ? -32.098 -17.186 30.479 1.0 18.3 ? 61 THR BE CA 1 61 . B ATOM 5967 C C . THR BE 1 61 ? -32.306 -18.643 30.174 1.0 18.81 ? 61 THR BE C 1 61 . B ATOM 5968 O O . THR BE 1 61 ? -31.393 -19.304 29.688 1.0 17.22 ? 61 THR BE O 1 61 . B ATOM 5969 C CB . THR BE 1 61 ? -32.970 -16.283 29.721 1.0 20.62 ? 61 THR BE CB 1 61 . B ATOM 5970 O OG1 . THR BE 1 61 ? -33.092 -15.036 30.399 1.0 21.28 ? 61 THR BE OG1 1 61 . B ATOM 5971 C CG2 . THR BE 1 61 ? -34.284 -16.856 29.612 1.0 24.31 ? 61 THR BE CG2 1 61 . B ATOM 5972 N N . ASP BE 1 62 ? -33.363 -19.237 30.672 1.0 20.3 ? 62 ASP BE N 1 62 . B ATOM 5973 C CA . ASP BE 1 62 ? -33.375 -20.673 30.603 1.0 26.48 ? 62 ASP BE CA 1 62 . B ATOM 5974 C C . ASP BE 1 62 ? -33.640 -21.162 29.212 1.0 27.19 ? 62 ASP BE C 1 62 . B ATOM 5975 O O . ASP BE 1 62 ? -34.441 -20.532 28.565 1.0 29.05 ? 62 ASP BE O 1 62 . B ATOM 5976 C CB . ASP BE 1 62 ? -34.347 -21.303 31.667 1.0 32.27 ? 62 ASP BE CB 1 62 . B ATOM 5977 C CG . ASP BE 1 62 ? -33.774 -21.336 33.181 1.0 32.79 ? 62 ASP BE CG 1 62 . B ATOM 5978 O OD1 . ASP BE 1 62 ? -32.584 -20.959 33.517 1.0 29.89 ? 62 ASP BE OD1 1 62 . B ATOM 5979 O OD2 . ASP BE 1 62 ? -34.625 -21.773 34.028 1.0 33.24 ? 62 ASP BE OD2 1 62 . B ATOM 5980 N N . ASN BE 1 63 ? -33.004 -22.261 28.793 1.0 27.72 ? 63 ASN BE N 1 63 . B ATOM 5981 C CA . ASN BE 1 63 ? -33.156 -22.817 27.432 1.0 31.98 ? 63 ASN BE CA 1 63 . B ATOM 5982 C C . ASN BE 1 63 ? -33.375 -21.713 26.323 1.0 28.17 ? 63 ASN BE C 1 63 . B ATOM 5983 O O . ASN BE 1 63 ? -34.316 -21.754 25.563 1.0 26.74 ? 63 ASN BE O 1 63 . B ATOM 5984 C CB . ASN BE 1 63 ? -34.304 -23.831 27.456 1.0 36.52 ? 63 ASN BE CB 1 63 . B ATOM 5985 C CG . ASN BE 1 63 ? -34.256 -24.698 28.704 1.0 39.26 ? 63 ASN BE CG 1 63 . B ATOM 5986 O OD1 . ASN BE 1 63 ? -35.072 -25.618 28.897 1.0 40.99 ? 63 ASN BE OD1 1 63 . B ATOM 5987 N ND2 . ASN BE 1 63 ? -33.295 -24.384 29.548 1.0 37.73 ? 63 ASN BE ND2 1 63 . B ATOM 5988 N N . CYS BE 1 64 ? -32.594 -20.645 26.361 1.0 24.72 ? 64 CYS BE N 1 64 . B ATOM 5989 C CA . CYS BE 1 64 ? -32.872 -19.591 25.461 1.0 25.94 ? 64 CYS BE CA 1 64 . B ATOM 5990 C C . CYS BE 1 64 ? -32.158 -19.880 24.108 1.0 26.94 ? 64 CYS BE C 1 64 . B ATOM 5991 O O . CYS BE 1 64 ? -32.609 -19.539 23.028 1.0 21.26 ? 64 CYS BE O 1 64 . B ATOM 5992 C CB . CYS BE 1 64 ? -32.436 -18.276 26.125 1.0 23.77 ? 64 CYS BE CB 1 64 . B ATOM 5993 S SG . CYS BE 1 64 ? -30.689 -18.219 26.527 1.0 24.03 ? 64 CYS BE SG 1 64 . B ATOM 5994 N N . ASN BE 1 65 ? -31.047 -20.571 24.243 1.0 30.77 ? 65 ASN BE N 1 65 . B ATOM 5995 C CA . ASN BE 1 65 ? -30.308 -21.009 23.098 1.0 31.77 ? 65 ASN BE CA 1 65 . B ATOM 5996 C C . ASN BE 1 65 ? -31.136 -21.849 22.136 1.0 34.0 ? 65 ASN BE C 1 65 . B ATOM 5997 O O . ASN BE 1 65 ? -30.993 -23.066 22.030 1.0 32.35 ? 65 ASN BE O 1 65 . B ATOM 5998 C CB . ASN BE 1 65 ? -28.970 -21.684 23.458 1.0 29.3 ? 65 ASN BE CB 1 65 . B ATOM 5999 C CG . ASN BE 1 65 ? -29.122 -22.952 24.236 1.0 26.79 ? 65 ASN BE CG 1 65 . B ATOM 6000 O OD1 . ASN BE 1 65 ? -30.157 -23.201 24.900 1.0 26.9 ? 65 ASN BE OD1 1 65 . B ATOM 6001 N ND2 . ASN BE 1 65 ? -28.042 -23.767 24.210 1.0 24.72 ? 65 ASN BE ND2 1 65 . B ATOM 6002 N N . HIS BE 1 66 ? -32.004 -21.165 21.399 1.0 36.58 ? 66 HIS BE N 1 66 . B ATOM 6003 C CA . HIS BE 1 66 ? -32.734 -21.852 20.368 1.0 38.26 ? 66 HIS BE CA 1 66 . B ATOM 6004 C C . HIS BE 1 66 ? -33.108 -20.942 19.237 1.0 41.64 ? 66 HIS BE C 1 66 . B ATOM 6005 O O . HIS BE 1 66 ? -33.430 -21.655 18.245 1.0 44.9 ? 66 HIS BE O 1 66 . B ATOM 6006 C CB . HIS BE 1 66 ? -33.893 -22.615 20.832 1.0 39.07 ? 66 HIS BE CB 1 66 . B ATOM 6007 C CG . HIS BE 1 66 ? -34.894 -21.759 21.492 1.0 43.4 ? 66 HIS BE CG 1 66 . B ATOM 6008 N ND1 . HIS BE 1 66 ? -34.540 -20.592 22.138 1.0 45.2 ? 66 HIS BE ND1 1 66 . B ATOM 6009 C CD2 . HIS BE 1 66 ? -36.230 -21.887 21.630 1.0 45.24 ? 66 HIS BE CD2 1 66 . B ATOM 6010 C CE1 . HIS BE 1 66 ? -35.628 -20.023 22.628 1.0 46.41 ? 66 HIS BE CE1 1 66 . B ATOM 6011 N NE2 . HIS BE 1 66 ? -36.665 -20.794 22.339 1.0 46.36 ? 66 HIS BE NE2 1 66 . B ATOM 6012 O OXT . HIS BE 1 66 ? -33.043 -19.667 19.387 1.0 39.81 ? 66 HIS BE OXT 1 66 . B HETATM 6013 O O . HOH C 2 . ? 36.784 7.368 23.609 1.0 39.28 ? 302 HOH C O 1 302 . A HETATM 6014 O O . HOH C 2 . ? 22.131 3.304 2.474 1.0 40.56 ? 305 HOH C O 1 305 . A HETATM 6015 O O . HOH C 2 . ? 31.096 8.235 0.891 1.0 43.54 ? 306 HOH C O 1 306 . A HETATM 6016 O O . HOH C 2 . ? 16.127 10.071 15.655 1.0 49.59 ? 313 HOH C O 1 313 . A HETATM 6017 O O . HOH C 2 . ? 21.772 14.027 3.053 1.0 54.2 ? 322 HOH C O 1 322 . A HETATM 6018 O O . HOH C 2 . ? 36.034 3.494 38.828 1.0 55.45 ? 326 HOH C O 1 326 . A HETATM 6019 O O . HOH C 2 . ? 26.059 11.961 30.879 1.0 57.09 ? 328 HOH C O 1 328 . A HETATM 6020 O O . HOH C 2 . ? 30.203 10.355 32.323 1.0 57.54 ? 331 HOH C O 1 331 . A HETATM 6021 O O . HOH C 2 . ? 20.123 16.044 6.069 1.0 58.31 ? 333 HOH C O 1 333 . A HETATM 6022 O O . HOH C 2 . ? 14.129 4.943 9.148 1.0 63.69 ? 340 HOH C O 1 340 . A HETATM 6023 O O . HOH C 2 . ? 23.819 16.872 7.371 1.0 65.66 ? 344 HOH C O 1 344 . A HETATM 6024 O O . HOH C 2 . ? 31.367 13.353 20.373 1.0 75.52 ? 348 HOH C O 1 348 . A HETATM 6025 O O . HOH C 2 . ? 18.283 4.412 18.169 1.0 75.85 ? 349 HOH C O 1 349 . A HETATM 6026 O O . HOH C 2 . ? 19.370 11.826 2.718 1.0 78.03 ? 350 HOH C O 1 350 . A HETATM 6027 O O . HOH C 2 . ? 17.990 4.227 22.063 1.0 78.84 ? 351 HOH C O 1 351 . A HETATM 6028 O O . HOH C 2 . ? 37.462 4.434 25.509 1.0 78.89 ? 352 HOH C O 1 352 . A HETATM 6029 O O . HOH C 2 . ? 17.067 12.300 5.454 1.0 80.0 ? 356 HOH C O 1 356 . A HETATM 6030 O O . HOH CA 2 . ? 24.773 -28.172 23.609 1.0 39.28 ? 302 HOH CA O 1 302 . A HETATM 6031 O O . HOH CA 2 . ? 13.927 -17.514 2.474 1.0 40.56 ? 305 HOH CA O 1 305 . A HETATM 6032 O O . HOH CA 2 . ? 22.680 -22.812 0.891 1.0 43.54 ? 306 HOH CA O 1 306 . A HETATM 6033 O O . HOH CA 2 . ? 16.785 -8.931 15.655 1.0 49.59 ? 313 HOH CA O 1 313 . A HETATM 6034 O O . HOH CA 2 . ? 23.034 -11.842 3.053 1.0 54.2 ? 322 HOH CA O 1 322 . A HETATM 6035 O O . HOH CA 2 . ? 21.043 -29.459 38.828 1.0 55.45 ? 326 HOH CA O 1 326 . A HETATM 6036 O O . HOH CA 2 . ? 23.388 -16.587 30.879 1.0 57.09 ? 328 HOH CA O 1 328 . A HETATM 6037 O O . HOH CA 2 . ? 24.069 -20.979 32.323 1.0 57.54 ? 331 HOH CA O 1 331 . A HETATM 6038 O O . HOH CA 2 . ? 23.956 -9.405 6.069 1.0 58.31 ? 333 HOH CA O 1 333 . A HETATM 6039 O O . HOH CA 2 . ? 11.345 -9.765 9.148 1.0 63.69 ? 340 HOH CA O 1 340 . A HETATM 6040 O O . HOH CA 2 . ? 26.521 -12.192 7.371 1.0 65.66 ? 344 HOH CA O 1 344 . A HETATM 6041 O O . HOH CA 2 . ? 27.248 -20.488 20.373 1.0 75.52 ? 348 HOH CA O 1 348 . A HETATM 6042 O O . HOH CA 2 . ? 12.962 -13.628 18.169 1.0 75.85 ? 349 HOH CA O 1 349 . A HETATM 6043 O O . HOH CA 2 . ? 19.927 -10.862 2.718 1.0 78.03 ? 350 HOH CA O 1 350 . A HETATM 6044 O O . HOH CA 2 . ? 12.656 -13.466 22.063 1.0 78.84 ? 351 HOH CA O 1 351 . A HETATM 6045 O O . HOH CA 2 . ? 22.571 -30.226 25.509 1.0 78.89 ? 352 HOH CA O 1 352 . A HETATM 6046 O O . HOH CA 2 . ? 19.186 -8.630 5.454 1.0 80.0 ? 356 HOH CA O 1 356 . A HETATM 6047 O O . HOH CB 2 . ? 12.011 35.540 23.609 1.0 39.28 ? 302 HOH CB O 1 302 . A HETATM 6048 O O . HOH CB 2 . ? 8.204 20.818 2.474 1.0 40.56 ? 305 HOH CB O 1 305 . A HETATM 6049 O O . HOH CB 2 . ? 8.416 31.047 0.891 1.0 43.54 ? 306 HOH CB O 1 306 . A HETATM 6050 O O . HOH CB 2 . ? -0.658 19.002 15.655 1.0 49.59 ? 313 HOH CB O 1 313 . A HETATM 6051 O O . HOH CB 2 . ? -1.262 25.869 3.053 1.0 54.2 ? 322 HOH CB O 1 322 . A HETATM 6052 O O . HOH CB 2 . ? 14.991 32.953 38.828 1.0 55.45 ? 326 HOH CB O 1 326 . A HETATM 6053 O O . HOH CB 2 . ? 2.671 28.548 30.879 1.0 57.09 ? 328 HOH CB O 1 328 . A HETATM 6054 O O . HOH CB 2 . ? 6.134 31.334 32.323 1.0 57.54 ? 331 HOH CB O 1 331 . A HETATM 6055 O O . HOH CB 2 . ? -3.833 25.449 6.069 1.0 58.31 ? 333 HOH CB O 1 333 . A HETATM 6056 O O . HOH CB 2 . ? 2.784 14.708 9.148 1.0 63.69 ? 340 HOH CB O 1 340 . A HETATM 6057 O O . HOH CB 2 . ? -2.702 29.064 7.371 1.0 65.66 ? 344 HOH CB O 1 344 . A HETATM 6058 O O . HOH CB 2 . ? 4.119 33.841 20.373 1.0 75.52 ? 348 HOH CB O 1 348 . A HETATM 6059 O O . HOH CB 2 . ? 5.321 18.040 18.169 1.0 75.85 ? 349 HOH CB O 1 349 . A HETATM 6060 O O . HOH CB 2 . ? -0.557 22.688 2.718 1.0 78.03 ? 350 HOH CB O 1 350 . A HETATM 6061 O O . HOH CB 2 . ? 5.334 17.693 22.063 1.0 78.84 ? 351 HOH CB O 1 351 . A HETATM 6062 O O . HOH CB 2 . ? 14.891 34.660 25.509 1.0 78.89 ? 352 HOH CB O 1 352 . A HETATM 6063 O O . HOH CB 2 . ? -2.119 20.930 5.454 1.0 80.0 ? 356 HOH CB O 1 356 . A HETATM 6064 O O . HOH CC 2 . ? -12.011 -35.540 23.609 1.0 39.28 ? 302 HOH CC O 1 302 . A HETATM 6065 O O . HOH CC 2 . ? -8.204 -20.818 2.474 1.0 40.56 ? 305 HOH CC O 1 305 . A HETATM 6066 O O . HOH CC 2 . ? -8.416 -31.047 0.891 1.0 43.54 ? 306 HOH CC O 1 306 . A HETATM 6067 O O . HOH CC 2 . ? 0.658 -19.002 15.655 1.0 49.59 ? 313 HOH CC O 1 313 . A HETATM 6068 O O . HOH CC 2 . ? 1.262 -25.869 3.053 1.0 54.2 ? 322 HOH CC O 1 322 . A HETATM 6069 O O . HOH CC 2 . ? -14.991 -32.953 38.828 1.0 55.45 ? 326 HOH CC O 1 326 . A HETATM 6070 O O . HOH CC 2 . ? -2.671 -28.548 30.879 1.0 57.09 ? 328 HOH CC O 1 328 . A HETATM 6071 O O . HOH CC 2 . ? -6.134 -31.334 32.323 1.0 57.54 ? 331 HOH CC O 1 331 . A HETATM 6072 O O . HOH CC 2 . ? 3.833 -25.449 6.069 1.0 58.31 ? 333 HOH CC O 1 333 . A HETATM 6073 O O . HOH CC 2 . ? -2.784 -14.708 9.148 1.0 63.69 ? 340 HOH CC O 1 340 . A HETATM 6074 O O . HOH CC 2 . ? 2.702 -29.064 7.371 1.0 65.66 ? 344 HOH CC O 1 344 . A HETATM 6075 O O . HOH CC 2 . ? -4.119 -33.841 20.373 1.0 75.52 ? 348 HOH CC O 1 348 . A HETATM 6076 O O . HOH CC 2 . ? -5.321 -18.040 18.169 1.0 75.85 ? 349 HOH CC O 1 349 . A HETATM 6077 O O . HOH CC 2 . ? 0.557 -22.688 2.718 1.0 78.03 ? 350 HOH CC O 1 350 . A HETATM 6078 O O . HOH CC 2 . ? -5.334 -17.693 22.063 1.0 78.84 ? 351 HOH CC O 1 351 . A HETATM 6079 O O . HOH CC 2 . ? -14.891 -34.660 25.509 1.0 78.89 ? 352 HOH CC O 1 352 . A HETATM 6080 O O . HOH CC 2 . ? 2.119 -20.930 5.454 1.0 80.0 ? 356 HOH CC O 1 356 . A HETATM 6081 O O . HOH CD 2 . ? -24.773 28.172 23.609 1.0 39.28 ? 302 HOH CD O 1 302 . A HETATM 6082 O O . HOH CD 2 . ? -13.927 17.514 2.474 1.0 40.56 ? 305 HOH CD O 1 305 . A HETATM 6083 O O . HOH CD 2 . ? -22.680 22.812 0.891 1.0 43.54 ? 306 HOH CD O 1 306 . A HETATM 6084 O O . HOH CD 2 . ? -16.785 8.931 15.655 1.0 49.59 ? 313 HOH CD O 1 313 . A HETATM 6085 O O . HOH CD 2 . ? -23.034 11.842 3.053 1.0 54.2 ? 322 HOH CD O 1 322 . A HETATM 6086 O O . HOH CD 2 . ? -21.043 29.459 38.828 1.0 55.45 ? 326 HOH CD O 1 326 . A HETATM 6087 O O . HOH CD 2 . ? -23.388 16.587 30.879 1.0 57.09 ? 328 HOH CD O 1 328 . A HETATM 6088 O O . HOH CD 2 . ? -24.069 20.979 32.323 1.0 57.54 ? 331 HOH CD O 1 331 . A HETATM 6089 O O . HOH CD 2 . ? -23.956 9.405 6.069 1.0 58.31 ? 333 HOH CD O 1 333 . A HETATM 6090 O O . HOH CD 2 . ? -11.345 9.765 9.148 1.0 63.69 ? 340 HOH CD O 1 340 . A HETATM 6091 O O . HOH CD 2 . ? -26.521 12.192 7.371 1.0 65.66 ? 344 HOH CD O 1 344 . A HETATM 6092 O O . HOH CD 2 . ? -27.248 20.488 20.373 1.0 75.52 ? 348 HOH CD O 1 348 . A HETATM 6093 O O . HOH CD 2 . ? -12.962 13.628 18.169 1.0 75.85 ? 349 HOH CD O 1 349 . A HETATM 6094 O O . HOH CD 2 . ? -19.927 10.862 2.718 1.0 78.03 ? 350 HOH CD O 1 350 . A HETATM 6095 O O . HOH CD 2 . ? -12.656 13.466 22.063 1.0 78.84 ? 351 HOH CD O 1 351 . A HETATM 6096 O O . HOH CD 2 . ? -22.571 30.226 25.509 1.0 78.89 ? 352 HOH CD O 1 352 . A HETATM 6097 O O . HOH CD 2 . ? -19.186 8.630 5.454 1.0 80.0 ? 356 HOH CD O 1 356 . A HETATM 6098 O O . HOH CE 2 . ? -36.784 -7.368 23.609 1.0 39.28 ? 302 HOH CE O 1 302 . A HETATM 6099 O O . HOH CE 2 . ? -22.131 -3.304 2.474 1.0 40.56 ? 305 HOH CE O 1 305 . A HETATM 6100 O O . HOH CE 2 . ? -31.096 -8.235 0.891 1.0 43.54 ? 306 HOH CE O 1 306 . A HETATM 6101 O O . HOH CE 2 . ? -16.127 -10.071 15.655 1.0 49.59 ? 313 HOH CE O 1 313 . A HETATM 6102 O O . HOH CE 2 . ? -21.772 -14.027 3.053 1.0 54.2 ? 322 HOH CE O 1 322 . A HETATM 6103 O O . HOH CE 2 . ? -36.034 -3.494 38.828 1.0 55.45 ? 326 HOH CE O 1 326 . A HETATM 6104 O O . HOH CE 2 . ? -26.059 -11.961 30.879 1.0 57.09 ? 328 HOH CE O 1 328 . A HETATM 6105 O O . HOH CE 2 . ? -30.203 -10.355 32.323 1.0 57.54 ? 331 HOH CE O 1 331 . A HETATM 6106 O O . HOH CE 2 . ? -20.123 -16.044 6.069 1.0 58.31 ? 333 HOH CE O 1 333 . A HETATM 6107 O O . HOH CE 2 . ? -14.129 -4.943 9.148 1.0 63.69 ? 340 HOH CE O 1 340 . A HETATM 6108 O O . HOH CE 2 . ? -23.819 -16.872 7.371 1.0 65.66 ? 344 HOH CE O 1 344 . A HETATM 6109 O O . HOH CE 2 . ? -31.367 -13.353 20.373 1.0 75.52 ? 348 HOH CE O 1 348 . A HETATM 6110 O O . HOH CE 2 . ? -18.283 -4.412 18.169 1.0 75.85 ? 349 HOH CE O 1 349 . A HETATM 6111 O O . HOH CE 2 . ? -19.370 -11.826 2.718 1.0 78.03 ? 350 HOH CE O 1 350 . A HETATM 6112 O O . HOH CE 2 . ? -17.990 -4.227 22.063 1.0 78.84 ? 351 HOH CE O 1 351 . A HETATM 6113 O O . HOH CE 2 . ? -37.462 -4.434 25.509 1.0 78.89 ? 352 HOH CE O 1 352 . A HETATM 6114 O O . HOH CE 2 . ? -17.067 -12.300 5.454 1.0 80.0 ? 356 HOH CE O 1 356 . A HETATM 6115 O O . HOH D 2 . ? 8.731 27.612 -4.923 0.33 22.12 ? 301 HOH D O 1 301 . B HETATM 6116 O O . HOH D 2 . ? 25.330 31.092 16.321 1.0 39.57 ? 303 HOH D O 1 303 . B HETATM 6117 O O . HOH D 2 . ? 19.671 26.139 27.268 1.0 40.06 ? 304 HOH D O 1 304 . B HETATM 6118 O O . HOH D 2 . ? 37.535 29.475 25.083 1.0 43.63 ? 307 HOH D O 1 307 . B HETATM 6119 O O . HOH D 2 . ? 10.476 29.510 -3.396 1.0 43.94 ? 308 HOH D O 1 308 . B HETATM 6120 O O . HOH D 2 . ? 33.796 16.759 22.087 1.0 44.25 ? 309 HOH D O 1 309 . B HETATM 6121 O O . HOH D 2 . ? 35.190 13.918 38.021 1.0 46.65 ? 310 HOH D O 1 310 . B HETATM 6122 O O . HOH D 2 . ? 15.860 22.975 21.159 1.0 47.53 ? 311 HOH D O 1 311 . B HETATM 6123 O O . HOH D 2 . ? 11.747 14.770 16.497 1.0 48.05 ? 312 HOH D O 1 312 . B HETATM 6124 O O . HOH D 2 . ? 37.271 16.117 32.944 1.0 50.45 ? 314 HOH D O 1 314 . B HETATM 6125 O O . HOH D 2 . ? 38.227 22.092 33.534 1.0 50.56 ? 315 HOH D O 1 315 . B HETATM 6126 O O . HOH D 2 . ? 20.067 20.695 8.126 1.0 50.99 ? 316 HOH D O 1 316 . B HETATM 6127 O O . HOH D 2 . ? 25.211 24.941 39.853 1.0 51.58 ? 317 HOH D O 1 317 . B HETATM 6128 O O . HOH D 2 . ? 30.018 32.705 34.251 1.0 51.65 ? 318 HOH D O 1 318 . B HETATM 6129 O O . HOH D 2 . ? 13.640 22.251 12.490 1.0 52.15 ? 319 HOH D O 1 319 . B HETATM 6130 O O . HOH D 2 . ? 22.317 19.008 6.106 1.0 52.41 ? 320 HOH D O 1 320 . B HETATM 6131 O O . HOH D 2 . ? 33.740 31.843 32.030 1.0 54.13 ? 321 HOH D O 1 321 . B HETATM 6132 O O . HOH D 2 . ? 27.039 16.581 9.562 1.0 54.53 ? 323 HOH D O 1 323 . B HETATM 6133 O O . HOH D 2 . ? 21.381 15.496 29.825 1.0 54.54 ? 324 HOH D O 1 324 . B HETATM 6134 O O . HOH D 2 . ? 14.345 23.326 16.263 1.0 54.92 ? 325 HOH D O 1 325 . B HETATM 6135 O O . HOH D 2 . ? 20.057 21.138 4.793 1.0 56.13 ? 327 HOH D O 1 327 . B HETATM 6136 O O . HOH D 2 . ? 16.874 23.947 29.180 1.0 57.17 ? 329 HOH D O 1 329 . B HETATM 6137 O O . HOH D 2 . ? 33.001 28.652 17.048 1.0 57.41 ? 330 HOH D O 1 330 . B HETATM 6138 O O . HOH D 2 . ? 21.984 16.320 12.784 1.0 57.89 ? 332 HOH D O 1 332 . B HETATM 6139 O O . HOH D 2 . ? 29.058 32.940 15.566 1.0 59.01 ? 334 HOH D O 1 334 . B HETATM 6140 O O . HOH D 2 . ? 28.358 30.361 16.433 1.0 60.13 ? 335 HOH D O 1 335 . B HETATM 6141 O O . HOH D 2 . ? 18.740 23.877 3.079 1.0 60.64 ? 336 HOH D O 1 336 . B HETATM 6142 O O . HOH D 2 . ? 33.470 16.435 18.002 1.0 62.75 ? 337 HOH D O 1 337 . B HETATM 6143 O O . HOH D 2 . ? 12.829 29.221 -0.365 1.0 63.01 ? 338 HOH D O 1 338 . B HETATM 6144 O O . HOH D 2 . ? 15.628 13.357 28.340 1.0 63.35 ? 339 HOH D O 1 339 . B HETATM 6145 O O . HOH D 2 . ? 17.879 12.602 23.392 1.0 63.86 ? 341 HOH D O 1 341 . B HETATM 6146 O O . HOH D 2 . ? 27.134 18.216 15.950 1.0 64.51 ? 342 HOH D O 1 342 . B HETATM 6147 O O . HOH D 2 . ? 34.209 15.350 34.683 1.0 65.22 ? 343 HOH D O 1 343 . B HETATM 6148 O O . HOH D 2 . ? 17.482 26.358 3.083 1.0 65.8 ? 345 HOH D O 1 345 . B HETATM 6149 O O . HOH D 2 . ? 37.053 26.858 30.896 1.0 68.99 ? 346 HOH D O 1 346 . B HETATM 6150 O O . HOH D 2 . ? 33.877 23.503 15.541 1.0 69.31 ? 347 HOH D O 1 347 . B HETATM 6151 O O . HOH D 2 . ? 25.317 22.126 37.652 1.0 79.04 ? 353 HOH D O 1 353 . B HETATM 6152 O O . HOH D 2 . ? 30.041 17.425 15.575 1.0 79.9 ? 354 HOH D O 1 354 . B HETATM 6153 O O . HOH D 2 . ? 21.506 19.027 37.928 1.0 80.0 ? 355 HOH D O 1 355 . B HETATM 6154 O O . HOH DA 2 . ? 28.278 6.245 -4.923 0.33 22.12 ? 301 HOH DA O 1 301 . B HETATM 6155 O O . HOH DA 2 . ? 39.591 -6.390 16.321 1.0 39.57 ? 303 HOH DA O 1 303 . B HETATM 6156 O O . HOH DA 2 . ? 32.473 -3.966 27.268 1.0 40.06 ? 304 HOH DA O 1 304 . B HETATM 6157 O O . HOH DA 2 . ? 44.294 -17.769 25.083 1.0 43.63 ? 307 HOH DA O 1 307 . B HETATM 6158 O O . HOH DA 2 . ? 30.794 5.683 -3.396 1.0 43.94 ? 308 HOH DA O 1 308 . B HETATM 6159 O O . HOH DA 2 . ? 31.412 -20.889 22.087 1.0 44.25 ? 309 HOH DA O 1 309 . B HETATM 6160 O O . HOH DA 2 . ? 29.648 -23.516 38.021 1.0 46.65 ? 310 HOH DA O 1 310 . B HETATM 6161 O O . HOH DA 2 . ? 27.827 -2.248 21.159 1.0 47.53 ? 311 HOH DA O 1 311 . B HETATM 6162 O O . HOH DA 2 . ? 18.665 -2.788 16.497 1.0 48.05 ? 312 HOH DA O 1 312 . B HETATM 6163 O O . HOH DA 2 . ? 32.593 -24.219 32.944 1.0 50.45 ? 314 HOH DA O 1 314 . B HETATM 6164 O O . HOH DA 2 . ? 38.246 -22.060 33.534 1.0 50.56 ? 315 HOH DA O 1 315 . B HETATM 6165 O O . HOH DA 2 . ? 27.956 -7.031 8.126 1.0 50.99 ? 316 HOH DA O 1 316 . B HETATM 6166 O O . HOH DA 2 . ? 34.205 -9.363 39.853 1.0 51.58 ? 317 HOH DA O 1 317 . B HETATM 6167 O O . HOH DA 2 . ? 43.332 -9.644 34.251 1.0 51.65 ? 318 HOH DA O 1 318 . B HETATM 6168 O O . HOH DA 2 . ? 26.090 -0.687 12.490 1.0 52.15 ? 319 HOH DA O 1 319 . B HETATM 6169 O O . HOH DA 2 . ? 27.620 -9.823 6.106 1.0 52.41 ? 320 HOH DA O 1 320 . B HETATM 6170 O O . HOH DA 2 . ? 44.447 -13.298 32.030 1.0 54.13 ? 321 HOH DA O 1 321 . B HETATM 6171 O O . HOH DA 2 . ? 27.879 -15.126 9.562 1.0 54.53 ? 323 HOH DA O 1 323 . B HETATM 6172 O O . HOH DA 2 . ? 24.110 -10.768 29.825 1.0 54.54 ? 324 HOH DA O 1 324 . B HETATM 6173 O O . HOH DA 2 . ? 27.373 -0.760 16.263 1.0 54.92 ? 325 HOH DA O 1 325 . B HETATM 6174 O O . HOH DA 2 . ? 28.335 -6.801 4.793 1.0 56.13 ? 327 HOH DA O 1 327 . B HETATM 6175 O O . HOH DA 2 . ? 29.176 -2.640 29.180 1.0 57.17 ? 329 HOH DA O 1 329 . B HETATM 6176 O O . HOH DA 2 . ? 41.314 -14.254 17.048 1.0 57.41 ? 330 HOH DA O 1 330 . B HETATM 6177 O O . HOH DA 2 . ? 25.126 -10.879 12.784 1.0 57.89 ? 332 HOH DA O 1 332 . B HETATM 6178 O O . HOH DA 2 . ? 43.056 -8.695 15.566 1.0 59.01 ? 334 HOH DA O 1 334 . B HETATM 6179 O O . HOH DA 2 . ? 40.472 -9.378 16.433 1.0 60.13 ? 335 HOH DA O 1 335 . B HETATM 6180 O O . HOH DA 2 . ? 30.048 -4.291 3.079 1.0 60.64 ? 336 HOH DA O 1 336 . B HETATM 6181 O O . HOH DA 2 . ? 30.968 -20.768 18.002 1.0 62.75 ? 337 HOH DA O 1 337 . B HETATM 6182 O O . HOH DA 2 . ? 31.721 3.500 -0.365 1.0 63.01 ? 338 HOH DA O 1 338 . B HETATM 6183 O O . HOH DA 2 . ? 19.382 -6.856 28.340 1.0 63.35 ? 339 HOH DA O 1 339 . B HETATM 6184 O O . HOH DA 2 . ? 19.853 -9.183 23.392 1.0 63.86 ? 341 HOH DA O 1 341 . B HETATM 6185 O O . HOH DA 2 . ? 29.343 -14.391 15.950 1.0 64.51 ? 342 HOH DA O 1 342 . B HETATM 6186 O O . HOH DA 2 . ? 30.398 -21.951 34.683 1.0 65.22 ? 343 HOH DA O 1 343 . B HETATM 6187 O O . HOH DA 2 . ? 31.568 -1.961 3.083 1.0 65.8 ? 345 HOH DA O 1 345 . B HETATM 6188 O O . HOH DA 2 . ? 41.786 -18.660 30.896 1.0 68.99 ? 346 HOH DA O 1 346 . B HETATM 6189 O O . HOH DA 2 . ? 37.293 -17.587 15.541 1.0 69.31 ? 347 HOH DA O 1 347 . B HETATM 6190 O O . HOH DA 2 . ? 31.820 -10.862 37.652 1.0 79.04 ? 353 HOH DA O 1 353 . B HETATM 6191 O O . HOH DA 2 . ? 30.111 -17.304 15.575 1.0 79.9 ? 354 HOH DA O 1 354 . B HETATM 6192 O O . HOH DA 2 . ? 27.231 -9.111 37.928 1.0 80.0 ? 355 HOH DA O 1 355 . B HETATM 6193 O O . HOH DB 2 . ? -19.547 21.367 -4.923 0.33 22.12 ? 301 HOH DB O 1 301 . B HETATM 6194 O O . HOH DB 2 . ? -14.261 37.482 16.321 1.0 39.57 ? 303 HOH DB O 1 303 . B HETATM 6195 O O . HOH DB 2 . ? -12.802 30.105 27.268 1.0 40.06 ? 304 HOH DB O 1 304 . B HETATM 6196 O O . HOH DB 2 . ? -6.759 47.244 25.083 1.0 43.63 ? 307 HOH DB O 1 307 . B HETATM 6197 O O . HOH DB 2 . ? -20.318 23.827 -3.396 1.0 43.94 ? 308 HOH DB O 1 308 . B HETATM 6198 O O . HOH DB 2 . ? 2.384 37.648 22.087 1.0 44.25 ? 309 HOH DB O 1 309 . B HETATM 6199 O O . HOH DB 2 . ? 5.542 37.434 38.021 1.0 46.65 ? 310 HOH DB O 1 310 . B HETATM 6200 O O . HOH DB 2 . ? -11.967 25.223 21.159 1.0 47.53 ? 311 HOH DB O 1 311 . B HETATM 6201 O O . HOH DB 2 . ? -6.918 17.558 16.497 1.0 48.05 ? 312 HOH DB O 1 312 . B HETATM 6202 O O . HOH DB 2 . ? 4.678 40.336 32.944 1.0 50.45 ? 314 HOH DB O 1 314 . B HETATM 6203 O O . HOH DB 2 . ? -0.019 44.152 33.534 1.0 50.56 ? 315 HOH DB O 1 315 . B HETATM 6204 O O . HOH DB 2 . ? -7.889 27.726 8.126 1.0 50.99 ? 316 HOH DB O 1 316 . B HETATM 6205 O O . HOH DB 2 . ? -8.994 34.304 39.853 1.0 51.58 ? 317 HOH DB O 1 317 . B HETATM 6206 O O . HOH DB 2 . ? -13.314 42.349 34.251 1.0 51.65 ? 318 HOH DB O 1 318 . B HETATM 6207 O O . HOH DB 2 . ? -12.450 22.938 12.490 1.0 52.15 ? 319 HOH DB O 1 319 . B HETATM 6208 O O . HOH DB 2 . ? -5.303 28.831 6.106 1.0 52.41 ? 320 HOH DB O 1 320 . B HETATM 6209 O O . HOH DB 2 . ? -10.707 45.141 32.030 1.0 54.13 ? 321 HOH DB O 1 321 . B HETATM 6210 O O . HOH DB 2 . ? -0.840 31.707 9.562 1.0 54.53 ? 323 HOH DB O 1 323 . B HETATM 6211 O O . HOH DB 2 . ? -2.729 26.264 29.825 1.0 54.54 ? 324 HOH DB O 1 324 . B HETATM 6212 O O . HOH DB 2 . ? -13.028 24.086 16.263 1.0 54.92 ? 325 HOH DB O 1 325 . B HETATM 6213 O O . HOH DB 2 . ? -8.278 27.939 4.793 1.0 56.13 ? 327 HOH DB O 1 327 . B HETATM 6214 O O . HOH DB 2 . ? -12.302 26.587 29.180 1.0 57.17 ? 329 HOH DB O 1 329 . B HETATM 6215 O O . HOH DB 2 . ? -8.313 42.906 17.048 1.0 57.41 ? 330 HOH DB O 1 330 . B HETATM 6216 O O . HOH DB 2 . ? -3.142 27.199 12.784 1.0 57.89 ? 332 HOH DB O 1 332 . B HETATM 6217 O O . HOH DB 2 . ? -13.998 41.635 15.566 1.0 59.01 ? 334 HOH DB O 1 334 . B HETATM 6218 O O . HOH DB 2 . ? -12.114 39.739 16.433 1.0 60.13 ? 335 HOH DB O 1 335 . B HETATM 6219 O O . HOH DB 2 . ? -11.308 28.168 3.079 1.0 60.64 ? 336 HOH DB O 1 336 . B HETATM 6220 O O . HOH DB 2 . ? 2.502 37.203 18.002 1.0 62.75 ? 337 HOH DB O 1 337 . B HETATM 6221 O O . HOH DB 2 . ? -18.892 25.721 -0.365 1.0 63.01 ? 338 HOH DB O 1 338 . B HETATM 6222 O O . HOH DB 2 . ? -3.754 20.213 28.340 1.0 63.35 ? 339 HOH DB O 1 339 . B HETATM 6223 O O . HOH DB 2 . ? -1.974 21.785 23.392 1.0 63.86 ? 341 HOH DB O 1 341 . B HETATM 6224 O O . HOH DB 2 . ? -2.209 32.607 15.950 1.0 64.51 ? 342 HOH DB O 1 342 . B HETATM 6225 O O . HOH DB 2 . ? 3.811 37.301 34.683 1.0 65.22 ? 343 HOH DB O 1 343 . B HETATM 6226 O O . HOH DB 2 . ? -14.086 28.319 3.083 1.0 65.8 ? 345 HOH DB O 1 345 . B HETATM 6227 O O . HOH DB 2 . ? -4.733 45.518 30.896 1.0 68.99 ? 346 HOH DB O 1 346 . B HETATM 6228 O O . HOH DB 2 . ? -3.416 41.090 15.541 1.0 69.31 ? 347 HOH DB O 1 347 . B HETATM 6229 O O . HOH DB 2 . ? -6.503 32.988 37.652 1.0 79.04 ? 353 HOH DB O 1 353 . B HETATM 6230 O O . HOH DB 2 . ? -0.070 34.729 15.575 1.0 79.9 ? 354 HOH DB O 1 354 . B HETATM 6231 O O . HOH DB 2 . ? -5.725 28.138 37.928 1.0 80.0 ? 355 HOH DB O 1 355 . B HETATM 6232 O O . HOH DC 2 . ? 19.547 -21.367 -4.923 0.33 22.12 ? 301 HOH DC O 1 301 . B HETATM 6233 O O . HOH DC 2 . ? 14.261 -37.482 16.321 1.0 39.57 ? 303 HOH DC O 1 303 . B HETATM 6234 O O . HOH DC 2 . ? 12.802 -30.105 27.268 1.0 40.06 ? 304 HOH DC O 1 304 . B HETATM 6235 O O . HOH DC 2 . ? 6.759 -47.244 25.083 1.0 43.63 ? 307 HOH DC O 1 307 . B HETATM 6236 O O . HOH DC 2 . ? 20.318 -23.827 -3.396 1.0 43.94 ? 308 HOH DC O 1 308 . B HETATM 6237 O O . HOH DC 2 . ? -2.384 -37.648 22.087 1.0 44.25 ? 309 HOH DC O 1 309 . B HETATM 6238 O O . HOH DC 2 . ? -5.542 -37.434 38.021 1.0 46.65 ? 310 HOH DC O 1 310 . B HETATM 6239 O O . HOH DC 2 . ? 11.967 -25.223 21.159 1.0 47.53 ? 311 HOH DC O 1 311 . B HETATM 6240 O O . HOH DC 2 . ? 6.918 -17.558 16.497 1.0 48.05 ? 312 HOH DC O 1 312 . B HETATM 6241 O O . HOH DC 2 . ? -4.678 -40.336 32.944 1.0 50.45 ? 314 HOH DC O 1 314 . B HETATM 6242 O O . HOH DC 2 . ? 0.019 -44.152 33.534 1.0 50.56 ? 315 HOH DC O 1 315 . B HETATM 6243 O O . HOH DC 2 . ? 7.889 -27.726 8.126 1.0 50.99 ? 316 HOH DC O 1 316 . B HETATM 6244 O O . HOH DC 2 . ? 8.994 -34.304 39.853 1.0 51.58 ? 317 HOH DC O 1 317 . B HETATM 6245 O O . HOH DC 2 . ? 13.314 -42.349 34.251 1.0 51.65 ? 318 HOH DC O 1 318 . B HETATM 6246 O O . HOH DC 2 . ? 12.450 -22.938 12.490 1.0 52.15 ? 319 HOH DC O 1 319 . B HETATM 6247 O O . HOH DC 2 . ? 5.303 -28.831 6.106 1.0 52.41 ? 320 HOH DC O 1 320 . B HETATM 6248 O O . HOH DC 2 . ? 10.707 -45.141 32.030 1.0 54.13 ? 321 HOH DC O 1 321 . B HETATM 6249 O O . HOH DC 2 . ? 0.840 -31.707 9.562 1.0 54.53 ? 323 HOH DC O 1 323 . B HETATM 6250 O O . HOH DC 2 . ? 2.729 -26.264 29.825 1.0 54.54 ? 324 HOH DC O 1 324 . B HETATM 6251 O O . HOH DC 2 . ? 13.028 -24.086 16.263 1.0 54.92 ? 325 HOH DC O 1 325 . B HETATM 6252 O O . HOH DC 2 . ? 8.278 -27.939 4.793 1.0 56.13 ? 327 HOH DC O 1 327 . B HETATM 6253 O O . HOH DC 2 . ? 12.302 -26.587 29.180 1.0 57.17 ? 329 HOH DC O 1 329 . B HETATM 6254 O O . HOH DC 2 . ? 8.313 -42.906 17.048 1.0 57.41 ? 330 HOH DC O 1 330 . B HETATM 6255 O O . HOH DC 2 . ? 3.142 -27.199 12.784 1.0 57.89 ? 332 HOH DC O 1 332 . B HETATM 6256 O O . HOH DC 2 . ? 13.998 -41.635 15.566 1.0 59.01 ? 334 HOH DC O 1 334 . B HETATM 6257 O O . HOH DC 2 . ? 12.114 -39.739 16.433 1.0 60.13 ? 335 HOH DC O 1 335 . B HETATM 6258 O O . HOH DC 2 . ? 11.308 -28.168 3.079 1.0 60.64 ? 336 HOH DC O 1 336 . B HETATM 6259 O O . HOH DC 2 . ? -2.502 -37.203 18.002 1.0 62.75 ? 337 HOH DC O 1 337 . B HETATM 6260 O O . HOH DC 2 . ? 18.892 -25.721 -0.365 1.0 63.01 ? 338 HOH DC O 1 338 . B HETATM 6261 O O . HOH DC 2 . ? 3.754 -20.213 28.340 1.0 63.35 ? 339 HOH DC O 1 339 . B HETATM 6262 O O . HOH DC 2 . ? 1.974 -21.785 23.392 1.0 63.86 ? 341 HOH DC O 1 341 . B HETATM 6263 O O . HOH DC 2 . ? 2.209 -32.607 15.950 1.0 64.51 ? 342 HOH DC O 1 342 . B HETATM 6264 O O . HOH DC 2 . ? -3.811 -37.301 34.683 1.0 65.22 ? 343 HOH DC O 1 343 . B HETATM 6265 O O . HOH DC 2 . ? 14.086 -28.319 3.083 1.0 65.8 ? 345 HOH DC O 1 345 . B HETATM 6266 O O . HOH DC 2 . ? 4.733 -45.518 30.896 1.0 68.99 ? 346 HOH DC O 1 346 . B HETATM 6267 O O . HOH DC 2 . ? 3.416 -41.090 15.541 1.0 69.31 ? 347 HOH DC O 1 347 . B HETATM 6268 O O . HOH DC 2 . ? 6.503 -32.988 37.652 1.0 79.04 ? 353 HOH DC O 1 353 . B HETATM 6269 O O . HOH DC 2 . ? 0.070 -34.729 15.575 1.0 79.9 ? 354 HOH DC O 1 354 . B HETATM 6270 O O . HOH DC 2 . ? 5.725 -28.138 37.928 1.0 80.0 ? 355 HOH DC O 1 355 . B HETATM 6271 O O . HOH DD 2 . ? -28.278 -6.245 -4.923 0.33 22.12 ? 301 HOH DD O 1 301 . B HETATM 6272 O O . HOH DD 2 . ? -39.591 6.390 16.321 1.0 39.57 ? 303 HOH DD O 1 303 . B HETATM 6273 O O . HOH DD 2 . ? -32.473 3.966 27.268 1.0 40.06 ? 304 HOH DD O 1 304 . B HETATM 6274 O O . HOH DD 2 . ? -44.294 17.769 25.083 1.0 43.63 ? 307 HOH DD O 1 307 . B HETATM 6275 O O . HOH DD 2 . ? -30.794 -5.683 -3.396 1.0 43.94 ? 308 HOH DD O 1 308 . B HETATM 6276 O O . HOH DD 2 . ? -31.412 20.889 22.087 1.0 44.25 ? 309 HOH DD O 1 309 . B HETATM 6277 O O . HOH DD 2 . ? -29.648 23.516 38.021 1.0 46.65 ? 310 HOH DD O 1 310 . B HETATM 6278 O O . HOH DD 2 . ? -27.827 2.248 21.159 1.0 47.53 ? 311 HOH DD O 1 311 . B HETATM 6279 O O . HOH DD 2 . ? -18.665 2.788 16.497 1.0 48.05 ? 312 HOH DD O 1 312 . B HETATM 6280 O O . HOH DD 2 . ? -32.593 24.219 32.944 1.0 50.45 ? 314 HOH DD O 1 314 . B HETATM 6281 O O . HOH DD 2 . ? -38.246 22.060 33.534 1.0 50.56 ? 315 HOH DD O 1 315 . B HETATM 6282 O O . HOH DD 2 . ? -27.956 7.031 8.126 1.0 50.99 ? 316 HOH DD O 1 316 . B HETATM 6283 O O . HOH DD 2 . ? -34.205 9.363 39.853 1.0 51.58 ? 317 HOH DD O 1 317 . B HETATM 6284 O O . HOH DD 2 . ? -43.332 9.644 34.251 1.0 51.65 ? 318 HOH DD O 1 318 . B HETATM 6285 O O . HOH DD 2 . ? -26.090 0.687 12.490 1.0 52.15 ? 319 HOH DD O 1 319 . B HETATM 6286 O O . HOH DD 2 . ? -27.620 9.823 6.106 1.0 52.41 ? 320 HOH DD O 1 320 . B HETATM 6287 O O . HOH DD 2 . ? -44.447 13.298 32.030 1.0 54.13 ? 321 HOH DD O 1 321 . B HETATM 6288 O O . HOH DD 2 . ? -27.879 15.126 9.562 1.0 54.53 ? 323 HOH DD O 1 323 . B HETATM 6289 O O . HOH DD 2 . ? -24.110 10.768 29.825 1.0 54.54 ? 324 HOH DD O 1 324 . B HETATM 6290 O O . HOH DD 2 . ? -27.373 0.760 16.263 1.0 54.92 ? 325 HOH DD O 1 325 . B HETATM 6291 O O . HOH DD 2 . ? -28.335 6.801 4.793 1.0 56.13 ? 327 HOH DD O 1 327 . B HETATM 6292 O O . HOH DD 2 . ? -29.176 2.640 29.180 1.0 57.17 ? 329 HOH DD O 1 329 . B HETATM 6293 O O . HOH DD 2 . ? -41.314 14.254 17.048 1.0 57.41 ? 330 HOH DD O 1 330 . B HETATM 6294 O O . HOH DD 2 . ? -25.126 10.879 12.784 1.0 57.89 ? 332 HOH DD O 1 332 . B HETATM 6295 O O . HOH DD 2 . ? -43.056 8.695 15.566 1.0 59.01 ? 334 HOH DD O 1 334 . B HETATM 6296 O O . HOH DD 2 . ? -40.472 9.378 16.433 1.0 60.13 ? 335 HOH DD O 1 335 . B HETATM 6297 O O . HOH DD 2 . ? -30.048 4.291 3.079 1.0 60.64 ? 336 HOH DD O 1 336 . B HETATM 6298 O O . HOH DD 2 . ? -30.968 20.768 18.002 1.0 62.75 ? 337 HOH DD O 1 337 . B HETATM 6299 O O . HOH DD 2 . ? -31.721 -3.500 -0.365 1.0 63.01 ? 338 HOH DD O 1 338 . B HETATM 6300 O O . HOH DD 2 . ? -19.382 6.856 28.340 1.0 63.35 ? 339 HOH DD O 1 339 . B HETATM 6301 O O . HOH DD 2 . ? -19.853 9.183 23.392 1.0 63.86 ? 341 HOH DD O 1 341 . B HETATM 6302 O O . HOH DD 2 . ? -29.343 14.391 15.950 1.0 64.51 ? 342 HOH DD O 1 342 . B HETATM 6303 O O . HOH DD 2 . ? -30.398 21.951 34.683 1.0 65.22 ? 343 HOH DD O 1 343 . B HETATM 6304 O O . HOH DD 2 . ? -31.568 1.961 3.083 1.0 65.8 ? 345 HOH DD O 1 345 . B HETATM 6305 O O . HOH DD 2 . ? -41.786 18.660 30.896 1.0 68.99 ? 346 HOH DD O 1 346 . B HETATM 6306 O O . HOH DD 2 . ? -37.293 17.587 15.541 1.0 69.31 ? 347 HOH DD O 1 347 . B HETATM 6307 O O . HOH DD 2 . ? -31.820 10.862 37.652 1.0 79.04 ? 353 HOH DD O 1 353 . B HETATM 6308 O O . HOH DD 2 . ? -30.111 17.304 15.575 1.0 79.9 ? 354 HOH DD O 1 354 . B HETATM 6309 O O . HOH DD 2 . ? -27.231 9.111 37.928 1.0 80.0 ? 355 HOH DD O 1 355 . B HETATM 6310 O O . HOH DE 2 . ? -8.731 -27.612 -4.923 0.33 22.12 ? 301 HOH DE O 1 301 . B HETATM 6311 O O . HOH DE 2 . ? -25.330 -31.092 16.321 1.0 39.57 ? 303 HOH DE O 1 303 . B HETATM 6312 O O . HOH DE 2 . ? -19.671 -26.139 27.268 1.0 40.06 ? 304 HOH DE O 1 304 . B HETATM 6313 O O . HOH DE 2 . ? -37.535 -29.475 25.083 1.0 43.63 ? 307 HOH DE O 1 307 . B HETATM 6314 O O . HOH DE 2 . ? -10.476 -29.510 -3.396 1.0 43.94 ? 308 HOH DE O 1 308 . B HETATM 6315 O O . HOH DE 2 . ? -33.796 -16.759 22.087 1.0 44.25 ? 309 HOH DE O 1 309 . B HETATM 6316 O O . HOH DE 2 . ? -35.190 -13.918 38.021 1.0 46.65 ? 310 HOH DE O 1 310 . B HETATM 6317 O O . HOH DE 2 . ? -15.860 -22.975 21.159 1.0 47.53 ? 311 HOH DE O 1 311 . B HETATM 6318 O O . HOH DE 2 . ? -11.747 -14.770 16.497 1.0 48.05 ? 312 HOH DE O 1 312 . B HETATM 6319 O O . HOH DE 2 . ? -37.271 -16.117 32.944 1.0 50.45 ? 314 HOH DE O 1 314 . B HETATM 6320 O O . HOH DE 2 . ? -38.227 -22.092 33.534 1.0 50.56 ? 315 HOH DE O 1 315 . B HETATM 6321 O O . HOH DE 2 . ? -20.067 -20.695 8.126 1.0 50.99 ? 316 HOH DE O 1 316 . B HETATM 6322 O O . HOH DE 2 . ? -25.211 -24.941 39.853 1.0 51.58 ? 317 HOH DE O 1 317 . B HETATM 6323 O O . HOH DE 2 . ? -30.018 -32.705 34.251 1.0 51.65 ? 318 HOH DE O 1 318 . B HETATM 6324 O O . HOH DE 2 . ? -13.640 -22.251 12.490 1.0 52.15 ? 319 HOH DE O 1 319 . B HETATM 6325 O O . HOH DE 2 . ? -22.317 -19.008 6.106 1.0 52.41 ? 320 HOH DE O 1 320 . B HETATM 6326 O O . HOH DE 2 . ? -33.740 -31.843 32.030 1.0 54.13 ? 321 HOH DE O 1 321 . B HETATM 6327 O O . HOH DE 2 . ? -27.039 -16.581 9.562 1.0 54.53 ? 323 HOH DE O 1 323 . B HETATM 6328 O O . HOH DE 2 . ? -21.381 -15.496 29.825 1.0 54.54 ? 324 HOH DE O 1 324 . B HETATM 6329 O O . HOH DE 2 . ? -14.345 -23.326 16.263 1.0 54.92 ? 325 HOH DE O 1 325 . B HETATM 6330 O O . HOH DE 2 . ? -20.057 -21.138 4.793 1.0 56.13 ? 327 HOH DE O 1 327 . B HETATM 6331 O O . HOH DE 2 . ? -16.874 -23.947 29.180 1.0 57.17 ? 329 HOH DE O 1 329 . B HETATM 6332 O O . HOH DE 2 . ? -33.001 -28.652 17.048 1.0 57.41 ? 330 HOH DE O 1 330 . B HETATM 6333 O O . HOH DE 2 . ? -21.984 -16.320 12.784 1.0 57.89 ? 332 HOH DE O 1 332 . B HETATM 6334 O O . HOH DE 2 . ? -29.058 -32.940 15.566 1.0 59.01 ? 334 HOH DE O 1 334 . B HETATM 6335 O O . HOH DE 2 . ? -28.358 -30.361 16.433 1.0 60.13 ? 335 HOH DE O 1 335 . B HETATM 6336 O O . HOH DE 2 . ? -18.740 -23.877 3.079 1.0 60.64 ? 336 HOH DE O 1 336 . B HETATM 6337 O O . HOH DE 2 . ? -33.470 -16.435 18.002 1.0 62.75 ? 337 HOH DE O 1 337 . B HETATM 6338 O O . HOH DE 2 . ? -12.829 -29.221 -0.365 1.0 63.01 ? 338 HOH DE O 1 338 . B HETATM 6339 O O . HOH DE 2 . ? -15.628 -13.357 28.340 1.0 63.35 ? 339 HOH DE O 1 339 . B HETATM 6340 O O . HOH DE 2 . ? -17.879 -12.602 23.392 1.0 63.86 ? 341 HOH DE O 1 341 . B HETATM 6341 O O . HOH DE 2 . ? -27.134 -18.216 15.950 1.0 64.51 ? 342 HOH DE O 1 342 . B HETATM 6342 O O . HOH DE 2 . ? -34.209 -15.350 34.683 1.0 65.22 ? 343 HOH DE O 1 343 . B HETATM 6343 O O . HOH DE 2 . ? -17.482 -26.358 3.083 1.0 65.8 ? 345 HOH DE O 1 345 . B HETATM 6344 O O . HOH DE 2 . ? -37.053 -26.858 30.896 1.0 68.99 ? 346 HOH DE O 1 346 . B HETATM 6345 O O . HOH DE 2 . ? -33.877 -23.503 15.541 1.0 69.31 ? 347 HOH DE O 1 347 . B HETATM 6346 O O . HOH DE 2 . ? -25.317 -22.126 37.652 1.0 79.04 ? 353 HOH DE O 1 353 . B HETATM 6347 O O . HOH DE 2 . ? -30.041 -17.425 15.575 1.0 79.9 ? 354 HOH DE O 1 354 . B HETATM 6348 O O . HOH DE 2 . ? -21.506 -19.027 37.928 1.0 80.0 ? 355 HOH DE O 1 355 . B # _entry.id 1KBA # _cell.entry_id 1KBA _cell.length_a 102.11569275619081 _cell.length_b 104.48752706326599 _cell.length_c 56.177 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 90.00 _cell.Z_PDB 1 _cell.pdbx_unique_axis ? # _pdbe_orig_cell.entry_id 1KBA _pdbe_orig_cell.length_a 80.200 _pdbe_orig_cell.length_b 80.200 _pdbe_orig_cell.length_c 39.600 _pdbe_orig_cell.angle_alpha 90.00 _pdbe_orig_cell.angle_beta 90.00 _pdbe_orig_cell.angle_gamma 120.00 _pdbe_orig_cell.Z_PDB 12 _pdbe_orig_cell.pdbx_unique_axis ? # _symmetry.entry_id 1KBA _symmetry.space_group_name_H-M "P 1" _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number ? # _pdbe_orig_symmetry.entry_id 1KBA _pdbe_orig_symmetry.space_group_name_H-M "P 6" _pdbe_orig_symmetry.pdbx_full_space_group_name_H-M ? _pdbe_orig_symmetry.cell_setting ? _pdbe_orig_symmetry.Int_Tables_number 168 # _entity_src_gen.entity_id 1 _entity_src_gen.pdbx_src_id 1 _entity_src_gen.pdbx_alt_source_flag sample _entity_src_gen.pdbx_seq_type ? _entity_src_gen.pdbx_beg_seq_num ? _entity_src_gen.pdbx_end_seq_num ? _entity_src_gen.gene_src_common_name "many-banded krait" _entity_src_gen.gene_src_genus Bungarus _entity_src_gen.pdbx_gene_src_gene ? _entity_src_gen.gene_src_species ? _entity_src_gen.gene_src_strain ? _entity_src_gen.gene_src_tissue ? _entity_src_gen.gene_src_tissue_fraction ? _entity_src_gen.gene_src_details ? _entity_src_gen.pdbx_gene_src_fragment ? _entity_src_gen.pdbx_gene_src_scientific_name "Bungarus multicinctus" _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 8616 _entity_src_gen.pdbx_gene_src_variant ? _entity_src_gen.pdbx_gene_src_cell_line ? _entity_src_gen.pdbx_gene_src_atcc ? _entity_src_gen.pdbx_gene_src_organ ? _entity_src_gen.pdbx_gene_src_organelle ? _entity_src_gen.pdbx_gene_src_cell ? _entity_src_gen.pdbx_gene_src_cellular_location ? _entity_src_gen.host_org_common_name ? _entity_src_gen.pdbx_host_org_scientific_name ? _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id ? _entity_src_gen.host_org_genus ? _entity_src_gen.pdbx_host_org_gene ? _entity_src_gen.pdbx_host_org_organ ? _entity_src_gen.host_org_species ? _entity_src_gen.pdbx_host_org_tissue ? _entity_src_gen.pdbx_host_org_tissue_fraction ? _entity_src_gen.pdbx_host_org_strain ? _entity_src_gen.pdbx_host_org_variant ? _entity_src_gen.pdbx_host_org_cell_line ? _entity_src_gen.pdbx_host_org_atcc ? _entity_src_gen.pdbx_host_org_culture_collection ? _entity_src_gen.pdbx_host_org_cell ? _entity_src_gen.pdbx_host_org_organelle ? _entity_src_gen.pdbx_host_org_cellular_location ? _entity_src_gen.pdbx_host_org_vector_type ? _entity_src_gen.pdbx_host_org_vector ? _entity_src_gen.host_org_details ? _entity_src_gen.expression_system_id ? _entity_src_gen.plasmid_name ? _entity_src_gen.plasmid_details ? _entity_src_gen.pdbx_description ? # _exptl.entry_id 1KBA _exptl.method "X-ray diffraction" _exptl.crystals_number ? # _reflns.entry_id 1KBA _reflns.observed_criterion_sigma_I ? _reflns.observed_criterion_sigma_F 2. _reflns.d_resolution_low ? _reflns.d_resolution_high ? _reflns.number_obs 6602 _reflns.number_all ? _reflns.percent_possible_obs 99. _reflns.pdbx_Rmerge_I_obs ? _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_sigmaI ? _reflns.B_iso_Wilson_estimate ? _reflns.pdbx_redundancy ? _reflns.pdbx_diffrn_id 1 _reflns.pdbx_ordinal 1 # _refine.entry_id 1KBA _refine.ls_number_reflns_obs 5354 _refine.ls_number_reflns_all ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F 2. _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 13. _refine.ls_d_res_high 2.3 _refine.ls_percent_reflns_obs 80. _refine.ls_R_factor_obs 0.196 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.196 _refine.ls_R_factor_R_free ? _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free ? _refine.ls_number_reflns_R_free ? _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.B_iso_mean ? _refine.aniso_B[1][1] ? _refine.aniso_B[2][2] ? _refine.aniso_B[3][3] ? _refine.aniso_B[1][2] ? _refine.aniso_B[1][3] ? _refine.aniso_B[2][3] ? _refine.solvent_model_details ? _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_ls_cross_valid_method ? _refine.details ? _refine.pdbx_starting_model ? _refine.pdbx_method_to_determine_struct ? _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values ? _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details ? _refine.pdbx_overall_ESU_R ? _refine.pdbx_overall_ESU_R_Free ? _refine.overall_SU_ML ? _refine.overall_SU_B ? _refine.pdbx_refine_id "X-ray diffraction" _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.correlation_coeff_Fo_to_Fc ? _refine.correlation_coeff_Fo_to_Fc_free ? _refine.pdbx_solvent_vdw_probe_radii ? _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii ? _refine.pdbx_overall_phase_error ? _refine.overall_SU_R_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? # _refine_hist.pdbx_refine_id "X-ray diffraction" _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 1002 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 0 _refine_hist.number_atoms_solvent 56 _refine_hist.number_atoms_total 1058 _refine_hist.d_res_high 2.3 _refine_hist.d_res_low 13. # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_defined_assembly _pdbx_struct_assembly.method_details ? _pdbx_struct_assembly.oligomeric_details dodecameric _pdbx_struct_assembly.oligomeric_count 12 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1,2,3,4,5,6 _pdbx_struct_assembly_gen.asym_id_list A,B,C,D # loop_ _pdbx_struct_oper_list.id _pdbx_struct_oper_list.type _pdbx_struct_oper_list.name _pdbx_struct_oper_list.symmetry_operation _pdbx_struct_oper_list.matrix[1][1] _pdbx_struct_oper_list.matrix[1][2] _pdbx_struct_oper_list.matrix[1][3] _pdbx_struct_oper_list.vector[1] _pdbx_struct_oper_list.matrix[2][1] _pdbx_struct_oper_list.matrix[2][2] _pdbx_struct_oper_list.matrix[2][3] _pdbx_struct_oper_list.vector[2] _pdbx_struct_oper_list.matrix[3][1] _pdbx_struct_oper_list.matrix[3][2] _pdbx_struct_oper_list.matrix[3][3] _pdbx_struct_oper_list.vector[3] 1 "identity operation" 1_555 x,y,z 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 2 "crystal symmetry operation" 5_555 y,-x+y,z 0.5000000000 0.8660254038 0.0000000000 0.0000000000 -0.8660254038 0.5000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 3 "crystal symmetry operation" 6_555 x-y,x,z 0.5000000000 -0.8660254038 0.0000000000 0.0000000000 0.8660254038 0.5000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 4 "crystal symmetry operation" 3_555 -x+y,-x,z -0.5000000000 0.8660254038 0.0000000000 0.0000000000 -0.8660254038 -0.5000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 5 "crystal symmetry operation" 2_555 -y,x-y,z -0.5000000000 -0.8660254038 0.0000000000 0.0000000000 0.8660254038 -0.5000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 6 "crystal symmetry operation" 4_555 -x,-y,z -1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 1 ? C N N 2 ? D N N 2 ? # _struct.entry_id 1KBA _struct.title "CRYSTAL STRUCTURE OF KAPPA-BUNGAROTOXIN AT 2.3-ANGSTROM RESOLUTION" _struct.pdbx_descriptor KAPPA-BUNGAROTOXIN _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _atom_sites.entry_id 1KBA _atom_sites.Cartn_transform_axes ? _atom_sites.fract_transf_matrix[1][1] 1.000000 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.000000 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 1.000000 _atom_sites.fract_transf_matrix[2][3] 0.000000 _atom_sites.fract_transf_matrix[3][1] 0.000000 _atom_sites.fract_transf_matrix[3][2] 0.000000 _atom_sites.fract_transf_matrix[3][3] 1.000000 _atom_sites.fract_transf_vector[1] 0.00000 _atom_sites.fract_transf_vector[2] 0.00000 _atom_sites.fract_transf_vector[3] 0.00000 # loop_ _pdbe_orig_poly_seq_scheme.asym_id _pdbe_orig_poly_seq_scheme.entity_id _pdbe_orig_poly_seq_scheme.seq_id _pdbe_orig_poly_seq_scheme.mon_id _pdbe_orig_poly_seq_scheme.ndb_seq_num _pdbe_orig_poly_seq_scheme.pdb_seq_num _pdbe_orig_poly_seq_scheme.auth_seq_num _pdbe_orig_poly_seq_scheme.pdb_mon_id _pdbe_orig_poly_seq_scheme.auth_mon_id _pdbe_orig_poly_seq_scheme.pdb_strand_id _pdbe_orig_poly_seq_scheme.pdb_ins_code _pdbe_orig_poly_seq_scheme.hetero A 1 1 ARG 1 1 1 ARG ARG A . n A 1 2 THR 2 2 2 THR THR A . n A 1 3 CYS 3 3 3 CYS CYS A . n A 1 4 LEU 4 4 4 LEU LEU A . n A 1 5 ILE 5 5 5 ILE ILE A . n A 1 6 SER 6 6 6 SER SER A . n A 1 7 PRO 7 7 7 PRO PRO A . n A 1 8 SER 8 8 8 SER SER A . n A 1 9 SER 9 9 9 SER SER A . n A 1 10 THR 10 10 10 THR THR A . n A 1 11 PRO 11 11 11 PRO PRO A . n A 1 12 GLN 12 12 12 GLN GLN A . n A 1 13 THR 13 13 13 THR THR A . n A 1 14 CYS 14 14 14 CYS CYS A . n A 1 15 PRO 15 15 15 PRO PRO A . n A 1 16 ASN 16 16 16 ASN ASN A . n A 1 17 GLY 17 17 17 GLY GLY A . n A 1 18 GLN 18 18 18 GLN GLN A . n A 1 19 ASP 19 19 19 ASP ASP A . n A 1 20 ILE 20 20 20 ILE ILE A . n A 1 21 CYS 21 21 21 CYS CYS A . n A 1 22 PHE 22 22 22 PHE PHE A . n A 1 23 LEU 23 23 23 LEU LEU A . n A 1 24 LYS 24 24 24 LYS LYS A . n A 1 25 ALA 25 25 25 ALA ALA A . n A 1 26 GLN 26 26 26 GLN GLN A . n A 1 27 CYS 27 27 27 CYS CYS A . n A 1 28 ASP 28 28 28 ASP ASP A . n A 1 29 LYS 29 29 29 LYS LYS A . n A 1 30 PHE 30 30 30 PHE PHE A . n A 1 31 CYS 31 31 31 CYS CYS A . n A 1 32 SER 32 32 32 SER SER A . n A 1 33 ILE 33 33 33 ILE ILE A . n A 1 34 ARG 34 34 34 ARG ARG A . n A 1 35 GLY 35 35 35 GLY GLY A . n A 1 36 PRO 36 36 36 PRO PRO A . n A 1 37 VAL 37 37 37 VAL VAL A . n A 1 38 ILE 38 38 38 ILE ILE A . n A 1 39 GLU 39 39 39 GLU GLU A . n A 1 40 GLN 40 40 40 GLN GLN A . n A 1 41 GLY 41 41 41 GLY GLY A . n A 1 42 CYS 42 42 42 CYS CYS A . n A 1 43 VAL 43 43 43 VAL VAL A . n A 1 44 ALA 44 44 44 ALA ALA A . n A 1 45 THR 45 45 45 THR THR A . n A 1 46 CYS 46 46 46 CYS CYS A . n A 1 47 PRO 47 47 47 PRO PRO A . n A 1 48 GLN 48 48 48 GLN GLN A . n A 1 49 PHE 49 49 49 PHE PHE A . n A 1 50 ARG 50 50 50 ARG ARG A . n A 1 51 SER 51 51 51 SER SER A . n A 1 52 ASN 52 52 52 ASN ASN A . n A 1 53 TYR 53 53 53 TYR TYR A . n A 1 54 ARG 54 54 54 ARG ARG A . n A 1 55 SER 55 55 55 SER SER A . n A 1 56 LEU 56 56 56 LEU LEU A . n A 1 57 LEU 57 57 57 LEU LEU A . n A 1 58 CYS 58 58 58 CYS CYS A . n A 1 59 CYS 59 59 59 CYS CYS A . n A 1 60 THR 60 60 60 THR THR A . n A 1 61 THR 61 61 61 THR THR A . n A 1 62 ASP 62 62 62 ASP ASP A . n A 1 63 ASN 63 63 63 ASN ASN A . n A 1 64 CYS 64 64 64 CYS CYS A . n A 1 65 ASN 65 65 65 ASN ASN A . n A 1 66 HIS 66 66 66 HIS HIS A . n B 1 1 ARG 1 1 1 ARG ARG B . n B 1 2 THR 2 2 2 THR THR B . n B 1 3 CYS 3 3 3 CYS CYS B . n B 1 4 LEU 4 4 4 LEU LEU B . n B 1 5 ILE 5 5 5 ILE ILE B . n B 1 6 SER 6 6 6 SER SER B . n B 1 7 PRO 7 7 7 PRO PRO B . n B 1 8 SER 8 8 8 SER SER B . n B 1 9 SER 9 9 9 SER SER B . n B 1 10 THR 10 10 10 THR THR B . n B 1 11 PRO 11 11 11 PRO PRO B . n B 1 12 GLN 12 12 12 GLN GLN B . n B 1 13 THR 13 13 13 THR THR B . n B 1 14 CYS 14 14 14 CYS CYS B . n B 1 15 PRO 15 15 15 PRO PRO B . n B 1 16 ASN 16 16 16 ASN ASN B . n B 1 17 GLY 17 17 17 GLY GLY B . n B 1 18 GLN 18 18 18 GLN GLN B . n B 1 19 ASP 19 19 19 ASP ASP B . n B 1 20 ILE 20 20 20 ILE ILE B . n B 1 21 CYS 21 21 21 CYS CYS B . n B 1 22 PHE 22 22 22 PHE PHE B . n B 1 23 LEU 23 23 23 LEU LEU B . n B 1 24 LYS 24 24 24 LYS LYS B . n B 1 25 ALA 25 25 25 ALA ALA B . n B 1 26 GLN 26 26 26 GLN GLN B . n B 1 27 CYS 27 27 27 CYS CYS B . n B 1 28 ASP 28 28 28 ASP ASP B . n B 1 29 LYS 29 29 29 LYS LYS B . n B 1 30 PHE 30 30 30 PHE PHE B . n B 1 31 CYS 31 31 31 CYS CYS B . n B 1 32 SER 32 32 32 SER SER B . n B 1 33 ILE 33 33 33 ILE ILE B . n B 1 34 ARG 34 34 34 ARG ARG B . n B 1 35 GLY 35 35 35 GLY GLY B . n B 1 36 PRO 36 36 36 PRO PRO B . n B 1 37 VAL 37 37 37 VAL VAL B . n B 1 38 ILE 38 38 38 ILE ILE B . n B 1 39 GLU 39 39 39 GLU GLU B . n B 1 40 GLN 40 40 40 GLN GLN B . n B 1 41 GLY 41 41 41 GLY GLY B . n B 1 42 CYS 42 42 42 CYS CYS B . n B 1 43 VAL 43 43 43 VAL VAL B . n B 1 44 ALA 44 44 44 ALA ALA B . n B 1 45 THR 45 45 45 THR THR B . n B 1 46 CYS 46 46 46 CYS CYS B . n B 1 47 PRO 47 47 47 PRO PRO B . n B 1 48 GLN 48 48 48 GLN GLN B . n B 1 49 PHE 49 49 49 PHE PHE B . n B 1 50 ARG 50 50 50 ARG ARG B . n B 1 51 SER 51 51 51 SER SER B . n B 1 52 ASN 52 52 52 ASN ASN B . n B 1 53 TYR 53 53 53 TYR TYR B . n B 1 54 ARG 54 54 54 ARG ARG B . n B 1 55 SER 55 55 55 SER SER B . n B 1 56 LEU 56 56 56 LEU LEU B . n B 1 57 LEU 57 57 57 LEU LEU B . n B 1 58 CYS 58 58 58 CYS CYS B . n B 1 59 CYS 59 59 59 CYS CYS B . n B 1 60 THR 60 60 60 THR THR B . n B 1 61 THR 61 61 61 THR THR B . n B 1 62 ASP 62 62 62 ASP ASP B . n B 1 63 ASN 63 63 63 ASN ASN B . n B 1 64 CYS 64 64 64 CYS CYS B . n B 1 65 ASN 65 65 65 ASN ASN B . n B 1 66 HIS 66 66 66 HIS HIS B . n # loop_ _pdbe_orig_nonpoly_scheme.asym_id _pdbe_orig_nonpoly_scheme.entity_id _pdbe_orig_nonpoly_scheme.mon_id _pdbe_orig_nonpoly_scheme.ndb_seq_num _pdbe_orig_nonpoly_scheme.pdb_seq_num _pdbe_orig_nonpoly_scheme.auth_seq_num _pdbe_orig_nonpoly_scheme.pdb_mon_id _pdbe_orig_nonpoly_scheme.auth_mon_id _pdbe_orig_nonpoly_scheme.pdb_strand_id _pdbe_orig_nonpoly_scheme.pdb_ins_code C 2 HOH 1 302 302 HOH HOH A . C 2 HOH 2 305 305 HOH HOH A . C 2 HOH 3 306 306 HOH HOH A . C 2 HOH 4 313 313 HOH HOH A . C 2 HOH 5 322 322 HOH HOH A . C 2 HOH 6 326 326 HOH HOH A . C 2 HOH 7 328 328 HOH HOH A . C 2 HOH 8 331 331 HOH HOH A . C 2 HOH 9 333 333 HOH HOH A . C 2 HOH 10 340 340 HOH HOH A . C 2 HOH 11 344 344 HOH HOH A . C 2 HOH 12 348 348 HOH HOH A . C 2 HOH 13 349 349 HOH HOH A . C 2 HOH 14 350 350 HOH HOH A . C 2 HOH 15 351 351 HOH HOH A . C 2 HOH 16 352 352 HOH HOH A . C 2 HOH 17 356 356 HOH HOH A . D 2 HOH 1 301 301 HOH HOH B . D 2 HOH 2 303 303 HOH HOH B . D 2 HOH 3 304 304 HOH HOH B . D 2 HOH 4 307 307 HOH HOH B . D 2 HOH 5 308 308 HOH HOH B . D 2 HOH 6 309 309 HOH HOH B . D 2 HOH 7 310 310 HOH HOH B . D 2 HOH 8 311 311 HOH HOH B . D 2 HOH 9 312 312 HOH HOH B . D 2 HOH 10 314 314 HOH HOH B . D 2 HOH 11 315 315 HOH HOH B . D 2 HOH 12 316 316 HOH HOH B . D 2 HOH 13 317 317 HOH HOH B . D 2 HOH 14 318 318 HOH HOH B . D 2 HOH 15 319 319 HOH HOH B . D 2 HOH 16 320 320 HOH HOH B . D 2 HOH 17 321 321 HOH HOH B . D 2 HOH 18 323 323 HOH HOH B . D 2 HOH 19 324 324 HOH HOH B . D 2 HOH 20 325 325 HOH HOH B . D 2 HOH 21 327 327 HOH HOH B . D 2 HOH 22 329 329 HOH HOH B . D 2 HOH 23 330 330 HOH HOH B . D 2 HOH 24 332 332 HOH HOH B . D 2 HOH 25 334 334 HOH HOH B . D 2 HOH 26 335 335 HOH HOH B . D 2 HOH 27 336 336 HOH HOH B . D 2 HOH 28 337 337 HOH HOH B . D 2 HOH 29 338 338 HOH HOH B . D 2 HOH 30 339 339 HOH HOH B . D 2 HOH 31 341 341 HOH HOH B . D 2 HOH 32 342 342 HOH HOH B . D 2 HOH 33 343 343 HOH HOH B . D 2 HOH 34 345 345 HOH HOH B . D 2 HOH 35 346 346 HOH HOH B . D 2 HOH 36 347 347 HOH HOH B . D 2 HOH 37 353 353 HOH HOH B . D 2 HOH 38 354 354 HOH HOH B . D 2 HOH 39 355 355 HOH HOH B . # loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.pdbx_ec _entity.pdbx_mutation _entity.pdbx_fragment _entity.details _entity.assembly_id 1 polymer man KAPPA-BUNGAROTOXIN 7282.352 12 ? ? ? ? 1 2 water nat water 18.015 12 ? ? ? ? 1 # _entity_poly.entity_id 1 _entity_poly.type polypeptide(L) _entity_poly.nstd_linkage no _entity_poly.nstd_monomer no _entity_poly.pdbx_seq_one_letter_code RTCLISPSSTPQTCPNGQDICFLKAQCDKFCSIRGPVIEQGCVATCPQFRSNYRSLLCCTTDNCNH _entity_poly.pdbx_seq_one_letter_code_can RTCLISPSSTPQTCPNGQDICFLKAQCDKFCSIRGPVIEQGCVATCPQFRSNYRSLLCCTTDNCNH _entity_poly.pdbx_strand_id A,AA,AB,AC,AD,AE,B,BA,BB,BC,BD,BE _entity_poly.pdbx_target_identifier ? _entity_poly.assembly_id 1 # _pdbx_entity_nonpoly.assembly_id 1 _pdbx_entity_nonpoly.entity_id 2 _pdbx_entity_nonpoly.name water _pdbx_entity_nonpoly.comp_id HOH # loop_ _pdbe_entity_remapping.source_coordinates _pdbe_entity_remapping.assembly_id _pdbe_entity_remapping.entity_id _pdbe_entity_remapping.type _pdbe_entity_remapping.description 1KBA 1 1 polypeptide(L) KAPPA-BUNGAROTOXIN 1KBA 1 2 ligand water # loop_ _pdbe_chain_remapping.source_coordinates _pdbe_chain_remapping.assembly_id _pdbe_chain_remapping.model_num _pdbe_chain_remapping.entity_id _pdbe_chain_remapping.orig_auth_asym_id _pdbe_chain_remapping.new_auth_asym_id _pdbe_chain_remapping.orig_label_asym_id _pdbe_chain_remapping.new_label_asym_id _pdbe_chain_remapping.applied_operations 1KBA 1 1 1 A A A A "_1" 1KBA 1 1 1 A AA A AA "_2" 1KBA 1 1 1 A AB A AB "_3" 1KBA 1 1 1 A AC A AC "_4" 1KBA 1 1 1 A AD A AD "_5" 1KBA 1 1 1 A AE A AE "_6" 1KBA 1 1 1 B B B B "_1" 1KBA 1 1 1 B BA B BA "_2" 1KBA 1 1 1 B BB B BB "_3" 1KBA 1 1 1 B BC B BC "_4" 1KBA 1 1 1 B BD B BD "_5" 1KBA 1 1 1 B BE B BE "_6" 1KBA 1 1 2 A C C C "_1" 1KBA 1 1 2 A CA C CA "_2" 1KBA 1 1 2 A CB C CB "_3" 1KBA 1 1 2 A CC C CC "_4" 1KBA 1 1 2 A CD C CD "_5" 1KBA 1 1 2 A CE C CE "_6" 1KBA 1 1 2 B D D D "_1" 1KBA 1 1 2 B DA D DA "_2" 1KBA 1 1 2 B DB D DB "_3" 1KBA 1 1 2 B DC D DC "_4" 1KBA 1 1 2 B DD D DD "_5" 1KBA 1 1 2 B DE D DE "_6" #