data_0 # _entry.id 0 # _struct_asym.id A _struct_asym.entity_id 0 # _entity_poly.entity_id 0 _entity_poly.type polypeptide(L) _entity_poly.pdbx_strand_id A # _entity.id 0 _entity.type polymer # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id 0 1 MET 0 2 ILE 0 3 ILE 0 4 PRO 0 5 VAL 0 6 LYS 0 7 ASN 0 8 CYS 0 9 LEU 0 10 ALA 0 11 ILE 0 12 PHE 0 13 CYS 0 14 LEU 0 15 ILE 0 16 GLN 0 17 LEU 0 18 VAL 0 19 VAL 0 20 PHE 0 21 SER 0 22 LYS 0 23 CYS 0 24 ASP 0 25 GLY 0 26 TRP 0 27 THR 0 28 ILE 0 29 THR 0 30 CYS 0 31 ASN 0 32 GLU 0 33 THR 0 34 TYR 0 35 CYS 0 36 CYS 0 37 GLU 0 38 ASN 0 39 THR 0 40 ASP 0 41 ASN 0 42 GLY 0 43 LYS 0 44 LEU 0 45 CYS 0 46 CYS 0 47 ASP 0 48 GLY 0 49 GLU 0 50 TYR 0 51 CYS 0 52 SER 0 53 ALA 0 54 SER 0 55 ILE 0 56 SER 0 57 ASN 0 58 HIS 0 59 GLN 0 60 ASP 0 61 LEU 0 62 THR 0 63 LYS 0 64 HIS 0 65 GLN 0 66 GLN 0 67 ASN 0 68 LEU 0 69 LEU 0 70 MET 0 71 SER 0 72 LYS 0 73 LYS 0 74 PHE 0 75 LYS 0 76 ILE 0 77 ILE # loop_ _chem_comp.id _chem_comp.type _chem_comp.name ALA 'L-peptide linking' ALANINE ARG 'L-peptide linking' ARGININE ASN 'L-peptide linking' ASPARAGINE ASP 'L-peptide linking' 'ASPARTIC ACID' CYS 'L-peptide linking' CYSTEINE GLN 'L-peptide linking' GLUTAMINE GLU 'L-peptide linking' 'GLUTAMIC ACID' HIS 'L-peptide linking' HISTIDINE ILE 'L-peptide linking' ISOLEUCINE LEU 'L-peptide linking' LEUCINE LYS 'L-peptide linking' LYSINE MET 'L-peptide linking' METHIONINE PHE 'L-peptide linking' PHENYLALANINE PRO 'L-peptide linking' PROLINE SER 'L-peptide linking' SERINE THR 'L-peptide linking' THREONINE TRP 'L-peptide linking' TRYPTOPHAN TYR 'L-peptide linking' TYROSINE VAL 'L-peptide linking' VALINE GLY 'peptide linking' GLYCINE # 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.auth_seq_id _atom_site.auth_asym_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . MET A 0 1 . -18.560 25.066 13.404 1.00 43.77 1 A 1 ATOM 2 C CA . MET A 0 1 . -17.606 25.706 12.473 1.00 43.77 1 A 1 ATOM 3 C C . MET A 0 1 . -17.872 25.135 11.086 1.00 43.77 1 A 1 ATOM 4 C CB . MET A 0 1 . -16.171 25.458 12.971 1.00 43.77 1 A 1 ATOM 5 O O . MET A 0 1 . -17.566 23.975 10.853 1.00 43.77 1 A 1 ATOM 6 C CG . MET A 0 1 . -15.103 26.339 12.318 1.00 43.77 1 A 1 ATOM 7 S SD . MET A 0 1 . -13.512 26.154 13.165 1.00 43.77 1 A 1 ATOM 8 C CE . MET A 0 1 . -12.483 27.335 12.253 1.00 43.77 1 A 1 ATOM 9 N N . ILE A 0 2 . -18.572 25.876 10.223 1.00 49.04 2 A 1 ATOM 10 C CA . ILE A 0 2 . -18.936 25.407 8.876 1.00 49.04 2 A 1 ATOM 11 C C . ILE A 0 2 . -17.738 25.696 7.973 1.00 49.04 2 A 1 ATOM 12 C CB . ILE A 0 2 . -20.240 26.084 8.381 1.00 49.04 2 A 1 ATOM 13 O O . ILE A 0 2 . -17.476 26.848 7.639 1.00 49.04 2 A 1 ATOM 14 C CG1 . ILE A 0 2 . -21.425 25.744 9.320 1.00 49.04 2 A 1 ATOM 15 C CG2 . ILE A 0 2 . -20.571 25.647 6.940 1.00 49.04 2 A 1 ATOM 16 C CD1 . ILE A 0 2 . -22.672 26.607 9.087 1.00 49.04 2 A 1 ATOM 17 N N . ILE A 0 3 . -16.968 24.662 7.640 1.00 56.87 3 A 1 ATOM 18 C CA . ILE A 0 3 . -15.867 24.779 6.681 1.00 56.87 3 A 1 ATOM 19 C C . ILE A 0 3 . -16.498 24.740 5.280 1.00 56.87 3 A 1 ATOM 20 C CB . ILE A 0 3 . -14.809 23.674 6.902 1.00 56.87 3 A 1 ATOM 21 O O . ILE A 0 3 . -17.217 23.786 4.973 1.00 56.87 3 A 1 ATOM 22 C CG1 . ILE A 0 3 . -14.217 23.781 8.330 1.00 56.87 3 A 1 ATOM 23 C CG2 . ILE A 0 3 . -13.676 23.770 5.858 1.00 56.87 3 A 1 ATOM 24 C CD1 . ILE A 0 3 . -13.403 22.553 8.748 1.00 56.87 3 A 1 ATOM 25 N N . PRO A 0 4 . -16.284 25.758 4.427 1.00 54.41 4 A 1 ATOM 26 C CA . PRO A 0 4 . -16.870 25.795 3.094 1.00 54.41 4 A 1 ATOM 27 C C . PRO A 0 4 . -16.352 24.612 2.267 1.00 54.41 4 A 1 ATOM 28 C CB . PRO A 0 4 . -16.480 27.160 2.511 1.00 54.41 4 A 1 ATOM 29 O O . PRO A 0 4 . -15.145 24.394 2.180 1.00 54.41 4 A 1 ATOM 30 C CG . PRO A 0 4 . -15.213 27.541 3.279 1.00 54.41 4 A 1 ATOM 31 C CD . PRO A 0 4 . -15.438 26.919 4.653 1.00 54.41 4 A 1 ATOM 32 N N . VAL A 0 5 . -17.263 23.873 1.623 1.00 56.93 5 A 1 ATOM 33 C CA . VAL A 0 5 . -16.998 22.664 0.806 1.00 56.93 5 A 1 ATOM 34 C C . VAL A 0 5 . -15.856 22.866 -0.205 1.00 56.93 5 A 1 ATOM 35 C CB . VAL A 0 5 . -18.303 22.254 0.080 1.00 56.93 5 A 1 ATOM 36 O O . VAL A 0 5 . -15.105 21.939 -0.505 1.00 56.93 5 A 1 ATOM 37 C CG1 . VAL A 0 5 . -18.139 21.036 -0.836 1.00 56.93 5 A 1 ATOM 38 C CG2 . VAL A 0 5 . -19.413 21.922 1.091 1.00 56.93 5 A 1 ATOM 39 N N . LYS A 0 6 . -15.657 24.107 -0.665 1.00 58.97 6 A 1 ATOM 40 C CA . LYS A 0 6 . -14.579 24.510 -1.575 1.00 58.97 6 A 1 ATOM 41 C C . LYS A 0 6 . -13.169 24.297 -0.996 1.00 58.97 6 A 1 ATOM 42 C CB . LYS A 0 6 . -14.840 25.968 -1.989 1.00 58.97 6 A 1 ATOM 43 O O . LYS A 0 6 . -12.269 23.935 -1.746 1.00 58.97 6 A 1 ATOM 44 C CG . LYS A 0 6 . -14.044 26.373 -3.236 1.00 58.97 6 A 1 ATOM 45 C CD . LYS A 0 6 . -14.527 27.723 -3.787 1.00 58.97 6 A 1 ATOM 46 C CE . LYS A 0 6 . -13.730 28.077 -5.050 1.00 58.97 6 A 1 ATOM 47 N NZ . LYS A 0 6 . -14.337 29.207 -5.800 1.00 58.97 6 A 1 ATOM 48 N N . ASN A 0 7 . -12.987 24.449 0.319 1.00 60.34 7 A 1 ATOM 49 C CA . ASN A 0 7 . -11.706 24.182 0.982 1.00 60.34 7 A 1 ATOM 50 C C . ASN A 0 7 . -11.414 22.679 1.098 1.00 60.34 7 A 1 ATOM 51 C CB . ASN A 0 7 . -11.658 24.872 2.366 1.00 60.34 7 A 1 ATOM 52 O O . ASN A 0 7 . -10.264 22.273 0.966 1.00 60.34 7 A 1 ATOM 53 C CG . ASN A 0 7 . -10.731 26.076 2.399 1.00 60.34 7 A 1 ATOM 54 N ND2 . ASN A 0 7 . -10.325 26.509 3.569 1.00 60.34 7 A 1 ATOM 55 O OD1 . ASN A 0 7 . -10.371 26.654 1.392 1.00 60.34 7 A 1 ATOM 56 N N . CYS A 0 8 . -12.438 21.841 1.288 1.00 59.09 8 A 1 ATOM 57 C CA . CYS A 0 8 . -12.245 20.389 1.363 1.00 59.09 8 A 1 ATOM 58 C C . CYS A 0 8 . -11.759 19.789 0.039 1.00 59.09 8 A 1 ATOM 59 C CB . CYS A 0 8 . -13.536 19.703 1.823 1.00 59.09 8 A 1 ATOM 60 O O . CYS A 0 8 . -10.909 18.901 0.062 1.00 59.09 8 A 1 ATOM 61 S SG . CYS A 0 8 . -13.640 19.766 3.631 1.00 59.09 8 A 1 ATOM 62 N N . LEU A 0 9 . -12.245 20.285 -1.108 1.00 61.17 9 A 1 ATOM 63 C CA . LEU A 0 9 . -11.768 19.820 -2.417 1.00 61.17 9 A 1 ATOM 64 C C . LEU A 0 9 . -10.277 20.110 -2.615 1.00 61.17 9 A 1 ATOM 65 C CB . LEU A 0 9 . -12.577 20.460 -3.566 1.00 61.17 9 A 1 ATOM 66 O O . LEU A 0 9 . -9.540 19.241 -3.067 1.00 61.17 9 A 1 ATOM 67 C CG . LEU A 0 9 . -13.488 19.451 -4.288 1.00 61.17 9 A 1 ATOM 68 C CD1 . LEU A 0 9 . -14.855 19.375 -3.608 1.00 61.17 9 A 1 ATOM 69 C CD2 . LEU A 0 9 . -13.682 19.857 -5.747 1.00 61.17 9 A 1 ATOM 70 N N . ALA A 0 10 . -9.827 21.311 -2.242 1.00 61.02 10 A 1 ATOM 71 C CA . ALA A 0 10 . -8.421 21.688 -2.356 1.00 61.02 10 A 1 ATOM 72 C C . ALA A 0 10 . -7.525 20.788 -1.490 1.00 61.02 10 A 1 ATOM 73 C CB . ALA A 0 10 . -8.283 23.167 -1.982 1.00 61.02 10 A 1 ATOM 74 O O . ALA A 0 10 . -6.494 20.311 -1.956 1.00 61.02 10 A 1 ATOM 75 N N . ILE A 0 11 . -7.954 20.493 -0.259 1.00 65.33 11 A 1 ATOM 76 C CA . ILE A 0 11 . -7.227 19.603 0.656 1.00 65.33 11 A 1 ATOM 77 C C . ILE A 0 11 . -7.163 18.177 0.092 1.00 65.33 11 A 1 ATOM 78 C CB . ILE A 0 11 . -7.867 19.651 2.061 1.00 65.33 11 A 1 ATOM 79 O O . ILE A 0 11 . -6.095 17.571 0.092 1.00 65.33 11 A 1 ATOM 80 C CG1 . ILE A 0 11 . -7.730 21.063 2.679 1.00 65.33 11 A 1 ATOM 81 C CG2 . ILE A 0 11 . -7.215 18.617 2.997 1.00 65.33 11 A 1 ATOM 82 C CD1 . ILE A 0 11 . -8.691 21.310 3.850 1.00 65.33 11 A 1 ATOM 83 N N . PHE A 0 12 . -8.269 17.649 -0.441 1.00 67.93 12 A 1 ATOM 84 C CA . PHE A 0 12 . -8.282 16.321 -1.058 1.00 67.93 12 A 1 ATOM 85 C C . PHE A 0 12 . -7.358 16.250 -2.280 1.00 67.93 12 A 1 ATOM 86 C CB . PHE A 0 12 . -9.719 15.933 -1.417 1.00 67.93 12 A 1 ATOM 87 O O . PHE A 0 12 . -6.588 15.301 -2.398 1.00 67.93 12 A 1 ATOM 88 C CG . PHE A 0 12 . -9.855 14.499 -1.891 1.00 67.93 12 A 1 ATOM 89 C CD1 . PHE A 0 12 . -9.912 14.205 -3.267 1.00 67.93 12 A 1 ATOM 90 C CD2 . PHE A 0 12 . -9.928 13.453 -0.951 1.00 67.93 12 A 1 ATOM 91 C CE1 . PHE A 0 12 . -10.074 12.875 -3.697 1.00 67.93 12 A 1 ATOM 92 C CE2 . PHE A 0 12 . -10.088 12.123 -1.382 1.00 67.93 12 A 1 ATOM 93 C CZ . PHE A 0 12 . -10.179 11.838 -2.755 1.00 67.93 12 A 1 ATOM 94 N N . CYS A 0 13 . -7.362 17.273 -3.140 1.00 66.54 13 A 1 ATOM 95 C CA . CYS A 0 13 . -6.443 17.353 -4.277 1.00 66.54 13 A 1 ATOM 96 C C . CYS A 0 13 . -4.973 17.376 -3.841 1.00 66.54 13 A 1 ATOM 97 C CB . CYS A 0 13 . -6.766 18.591 -5.123 1.00 66.54 13 A 1 ATOM 98 O O . CYS A 0 13 . -4.159 16.697 -4.459 1.00 66.54 13 A 1 ATOM 99 S SG . CYS A 0 13 . -8.287 18.313 -6.074 1.00 66.54 13 A 1 ATOM 100 N N . LEU A 0 14 . -4.629 18.100 -2.769 1.00 63.06 14 A 1 ATOM 101 C CA . LEU A 0 14 . -3.265 18.115 -2.227 1.00 63.06 14 A 1 ATOM 102 C C . LEU A 0 14 . -2.851 16.743 -1.686 1.00 63.06 14 A 1 ATOM 103 C CB . LEU A 0 14 . -3.150 19.178 -1.121 1.00 63.06 14 A 1 ATOM 104 O O . LEU A 0 14 . -1.740 16.293 -1.949 1.00 63.06 14 A 1 ATOM 105 C CG . LEU A 0 14 . -3.172 20.631 -1.624 1.00 63.06 14 A 1 ATOM 106 C CD1 . LEU A 0 14 . -3.247 21.576 -0.424 1.00 63.06 14 A 1 ATOM 107 C CD2 . LEU A 0 14 . -1.926 20.981 -2.439 1.00 63.06 14 A 1 ATOM 108 N N . ILE A 0 15 . -3.747 16.055 -0.973 1.00 66.52 15 A 1 ATOM 109 C CA . ILE A 0 15 . -3.485 14.702 -0.465 1.00 66.52 15 A 1 ATOM 110 C C . ILE A 0 15 . -3.280 13.728 -1.631 1.00 66.52 15 A 1 ATOM 111 C CB . ILE A 0 15 . -4.621 14.244 0.477 1.00 66.52 15 A 1 ATOM 112 O O . ILE A 0 15 . -2.325 12.956 -1.611 1.00 66.52 15 A 1 ATOM 113 C CG1 . ILE A 0 15 . -4.678 15.131 1.743 1.00 66.52 15 A 1 ATOM 114 C CG2 . ILE A 0 15 . -4.423 12.773 0.897 1.00 66.52 15 A 1 ATOM 115 C CD1 . ILE A 0 15 . -6.006 15.015 2.501 1.00 66.52 15 A 1 ATOM 116 N N . GLN A 0 16 . -4.128 13.795 -2.663 1.00 60.38 16 A 1 ATOM 117 C CA . GLN A 0 16 . -3.975 12.984 -3.873 1.00 60.38 16 A 1 ATOM 118 C C . GLN A 0 16 . -2.640 13.275 -4.565 1.00 60.38 16 A 1 ATOM 119 C CB . GLN A 0 16 . -5.158 13.214 -4.829 1.00 60.38 16 A 1 ATOM 120 O O . GLN A 0 16 . -1.913 12.339 -4.865 1.00 60.38 16 A 1 ATOM 121 C CG . GLN A 0 16 . -6.486 12.638 -4.307 1.00 60.38 16 A 1 ATOM 122 C CD . GLN A 0 16 . -6.522 11.117 -4.235 1.00 60.38 16 A 1 ATOM 123 N NE2 . GLN A 0 16 . -7.407 10.554 -3.443 1.00 60.38 16 A 1 ATOM 124 O OE1 . GLN A 0 16 . -5.780 10.399 -4.877 1.00 60.38 16 A 1 ATOM 125 N N . LEU A 0 17 . -2.252 14.543 -4.732 1.00 59.75 17 A 1 ATOM 126 C CA . LEU A 0 17 . -0.951 14.921 -5.300 1.00 59.75 17 A 1 ATOM 127 C C . LEU A 0 17 . 0.228 14.370 -4.494 1.00 59.75 17 A 1 ATOM 128 C CB . LEU A 0 17 . -0.862 16.456 -5.410 1.00 59.75 17 A 1 ATOM 129 O O . LEU A 0 17 . 1.171 13.866 -5.083 1.00 59.75 17 A 1 ATOM 130 C CG . LEU A 0 17 . -1.008 16.946 -6.859 1.00 59.75 17 A 1 ATOM 131 C CD1 . LEU A 0 17 . -1.446 18.410 -6.877 1.00 59.75 17 A 1 ATOM 132 C CD2 . LEU A 0 17 . 0.319 16.820 -7.611 1.00 59.75 17 A 1 ATOM 133 N N . VAL A 0 18 . 0.177 14.398 -3.161 1.00 59.84 18 A 1 ATOM 134 C CA . VAL A 0 18 . 1.244 13.829 -2.314 1.00 59.84 18 A 1 ATOM 135 C C . VAL A 0 18 . 1.333 12.306 -2.456 1.00 59.84 18 A 1 ATOM 136 C CB . VAL A 0 18 . 1.034 14.244 -0.845 1.00 59.84 18 A 1 ATOM 137 O O . VAL A 0 18 . 2.426 11.745 -2.390 1.00 59.84 18 A 1 ATOM 138 C CG1 . VAL A 0 18 . 1.965 13.510 0.134 1.00 59.84 18 A 1 ATOM 139 C CG2 . VAL A 0 18 . 1.301 15.745 -0.671 1.00 59.84 18 A 1 ATOM 140 N N . VAL A 0 19 . 0.200 11.629 -2.648 1.00 57.80 19 A 1 ATOM 141 C CA . VAL A 0 19 . 0.154 10.176 -2.868 1.00 57.80 19 A 1 ATOM 142 C C . VAL A 0 19 . 0.634 9.818 -4.279 1.00 57.80 19 A 1 ATOM 143 C CB . VAL A 0 19 . -1.262 9.642 -2.578 1.00 57.80 19 A 1 ATOM 144 O O . VAL A 0 19 . 1.437 8.900 -4.431 1.00 57.80 19 A 1 ATOM 145 C CG1 . VAL A 0 19 . -1.417 8.160 -2.939 1.00 57.80 19 A 1 ATOM 146 C CG2 . VAL A 0 19 . -1.594 9.774 -1.083 1.00 57.80 19 A 1 ATOM 147 N N . PHE A 0 20 . 0.208 10.572 -5.294 1.00 51.56 20 A 1 ATOM 148 C CA . PHE A 0 20 . 0.617 10.379 -6.686 1.00 51.56 20 A 1 ATOM 149 C C . PHE A 0 20 . 2.089 10.753 -6.916 1.00 51.56 20 A 1 ATOM 150 C CB . PHE A 0 20 . -0.343 11.124 -7.629 1.00 51.56 20 A 1 ATOM 151 O O . PHE A 0 20 . 2.806 9.959 -7.509 1.00 51.56 20 A 1 ATOM 152 C CG . PHE A 0 20 . -1.540 10.292 -8.064 1.00 51.56 20 A 1 ATOM 153 C CD1 . PHE A 0 20 . -1.435 9.489 -9.214 1.00 51.56 20 A 1 ATOM 154 C CD2 . PHE A 0 20 . -2.750 10.297 -7.341 1.00 51.56 20 A 1 ATOM 155 C CE1 . PHE A 0 20 . -2.526 8.712 -9.642 1.00 51.56 20 A 1 ATOM 156 C CE2 . PHE A 0 20 . -3.841 9.519 -7.763 1.00 51.56 20 A 1 ATOM 157 C CZ . PHE A 0 20 . -3.731 8.727 -8.917 1.00 51.56 20 A 1 ATOM 158 N N . SER A 0 21 . 2.594 11.849 -6.337 1.00 50.84 21 A 1 ATOM 159 C CA . SER A 0 21 . 4.011 12.241 -6.449 1.00 50.84 21 A 1 ATOM 160 C C . SER A 0 21 . 4.971 11.302 -5.728 1.00 50.84 21 A 1 ATOM 161 C CB . SER A 0 21 . 4.256 13.664 -5.944 1.00 50.84 21 A 1 ATOM 162 O O . SER A 0 21 . 6.147 11.252 -6.075 1.00 50.84 21 A 1 ATOM 163 O OG . SER A 0 21 . 3.790 14.603 -6.886 1.00 50.84 21 A 1 ATOM 164 N N . LYS A 0 22 . 4.499 10.516 -4.754 1.00 45.64 22 A 1 ATOM 165 C CA . LYS A 0 22 . 5.293 9.409 -4.193 1.00 45.64 22 A 1 ATOM 166 C C . LYS A 0 22 . 5.361 8.192 -5.119 1.00 45.64 22 A 1 ATOM 167 C CB . LYS A 0 22 . 4.771 9.044 -2.800 1.00 45.64 22 A 1 ATOM 168 O O . LYS A 0 22 . 6.181 7.315 -4.881 1.00 45.64 22 A 1 ATOM 169 C CG . LYS A 0 22 . 5.284 10.062 -1.778 1.00 45.64 22 A 1 ATOM 170 C CD . LYS A 0 22 . 4.716 9.767 -0.393 1.00 45.64 22 A 1 ATOM 171 C CE . LYS A 0 22 . 5.320 10.766 0.595 1.00 45.64 22 A 1 ATOM 172 N NZ . LYS A 0 22 . 4.553 10.787 1.860 1.00 45.64 22 A 1 ATOM 173 N N . CYS A 0 23 . 4.542 8.162 -6.168 1.00 42.97 23 A 1 ATOM 174 C CA . CYS A 0 23 . 4.537 7.136 -7.208 1.00 42.97 23 A 1 ATOM 175 C C . CYS A 0 23 . 5.119 7.627 -8.552 1.00 42.97 23 A 1 ATOM 176 C CB . CYS A 0 23 . 3.107 6.601 -7.383 1.00 42.97 23 A 1 ATOM 177 O O . CYS A 0 23 . 5.149 6.852 -9.502 1.00 42.97 23 A 1 ATOM 178 S SG . CYS A 0 23 . 2.478 5.857 -5.847 1.00 42.97 23 A 1 ATOM 179 N N . ASP A 0 24 . 5.601 8.875 -8.643 1.00 41.87 24 A 1 ATOM 180 C CA . ASP A 0 24 . 6.188 9.475 -9.860 1.00 41.87 24 A 1 ATOM 181 C C . ASP A 0 24 . 7.705 9.219 -10.007 1.00 41.87 24 A 1 ATOM 182 C CB . ASP A 0 24 . 5.837 10.975 -9.934 1.00 41.87 24 A 1 ATOM 183 O O . ASP A 0 24 . 8.404 9.889 -10.767 1.00 41.87 24 A 1 ATOM 184 C CG . ASP A 0 24 . 4.431 11.236 -10.481 1.00 41.87 24 A 1 ATOM 185 O OD1 . ASP A 0 24 . 4.114 10.693 -11.564 1.00 41.87 24 A 1 ATOM 186 O OD2 . ASP A 0 24 . 3.698 12.025 -9.837 1.00 41.87 24 A 1 ATOM 187 N N . GLY A 0 25 . 8.239 8.232 -9.288 1.00 38.03 25 A 1 ATOM 188 C CA . GLY A 0 25 . 9.634 7.815 -9.380 1.00 38.03 25 A 1 ATOM 189 C C . GLY A 0 25 . 9.714 6.317 -9.604 1.00 38.03 25 A 1 ATOM 190 O O . GLY A 0 25 . 9.278 5.534 -8.764 1.00 38.03 25 A 1 ATOM 191 N N . TRP A 0 26 . 10.277 5.918 -10.738 1.00 36.29 26 A 1 ATOM 192 C CA . TRP A 0 26 . 10.563 4.534 -11.111 1.00 36.29 26 A 1 ATOM 193 C C . TRP A 0 26 . 11.666 3.984 -10.196 1.00 36.29 26 A 1 ATOM 194 C CB . TRP A 0 26 . 10.920 4.475 -12.613 1.00 36.29 26 A 1 ATOM 195 O O . TRP A 0 26 . 12.827 3.873 -10.571 1.00 36.29 26 A 1 ATOM 196 C CG . TRP A 0 26 . 10.388 5.608 -13.436 1.00 36.29 26 A 1 ATOM 197 C CD1 . TRP A 0 26 . 9.081 5.883 -13.642 1.00 36.29 26 A 1 ATOM 198 C CD2 . TRP A 0 26 . 11.135 6.694 -14.066 1.00 36.29 26 A 1 ATOM 199 C CE2 . TRP A 0 26 . 10.199 7.599 -14.648 1.00 36.29 26 A 1 ATOM 200 C CE3 . TRP A 0 26 . 12.505 7.018 -14.186 1.00 36.29 26 A 1 ATOM 201 N NE1 . TRP A 0 26 . 8.965 7.061 -14.350 1.00 36.29 26 A 1 ATOM 202 C CH2 . TRP A 0 26 . 11.967 9.046 -15.441 1.00 36.29 26 A 1 ATOM 203 C CZ2 . TRP A 0 26 . 10.596 8.757 -15.327 1.00 36.29 26 A 1 ATOM 204 C CZ3 . TRP A 0 26 . 12.917 8.180 -14.869 1.00 36.29 26 A 1 ATOM 205 N N . THR A 0 27 . 11.356 3.742 -8.928 1.00 33.36 27 A 1 ATOM 206 C CA . THR A 0 27 . 12.248 3.082 -7.974 1.00 33.36 27 A 1 ATOM 207 C C . THR A 0 27 . 11.373 2.492 -6.877 1.00 33.36 27 A 1 ATOM 208 C CB . THR A 0 27 . 13.335 4.016 -7.395 1.00 33.36 27 A 1 ATOM 209 O O . THR A 0 27 . 11.019 3.150 -5.902 1.00 33.36 27 A 1 ATOM 210 C CG2 . THR A 0 27 . 14.535 3.195 -6.923 1.00 33.36 27 A 1 ATOM 211 O OG1 . THR A 0 27 . 13.848 4.918 -8.351 1.00 33.36 27 A 1 ATOM 212 N N . ILE A 0 28 . 10.951 1.247 -7.099 1.00 36.41 28 A 1 ATOM 213 C CA . ILE A 0 28 . 10.178 0.439 -6.155 1.00 36.41 28 A 1 ATOM 214 C C . ILE A 0 28 . 11.118 0.065 -5.003 1.00 36.41 28 A 1 ATOM 215 C CB . ILE A 0 28 . 9.556 -0.788 -6.877 1.00 36.41 28 A 1 ATOM 216 O O . ILE A 0 28 . 11.698 -1.015 -4.966 1.00 36.41 28 A 1 ATOM 217 C CG1 . ILE A 0 28 . 8.600 -0.330 -8.008 1.00 36.41 28 A 1 ATOM 218 C CG2 . ILE A 0 28 . 8.793 -1.700 -5.894 1.00 36.41 28 A 1 ATOM 219 C CD1 . ILE A 0 28 . 8.165 -1.458 -8.953 1.00 36.41 28 A 1 ATOM 220 N N . THR A 0 29 . 11.319 0.991 -4.070 1.00 33.35 29 A 1 ATOM 221 C CA . THR A 0 29 . 11.945 0.718 -2.775 1.00 33.35 29 A 1 ATOM 222 C C . THR A 0 29 . 10.823 0.607 -1.749 1.00 33.35 29 A 1 ATOM 223 C CB . THR A 0 29 . 13.049 1.730 -2.389 1.00 33.35 29 A 1 ATOM 224 O O . THR A 0 29 . 10.502 1.553 -1.031 1.00 33.35 29 A 1 ATOM 225 C CG2 . THR A 0 29 . 14.363 1.005 -2.096 1.00 33.35 29 A 1 ATOM 226 O OG1 . THR A 0 29 . 13.330 2.652 -3.419 1.00 33.35 29 A 1 ATOM 227 N N . CYS A 0 30 . 10.181 -0.564 -1.720 1.00 38.78 30 A 1 ATOM 228 C CA . CYS A 0 30 . 9.232 -0.956 -0.680 1.00 38.78 30 A 1 ATOM 229 C C . CYS A 0 30 . 9.986 -1.142 0.641 1.00 38.78 30 A 1 ATOM 230 C CB . CYS A 0 30 . 8.487 -2.233 -1.103 1.00 38.78 30 A 1 ATOM 231 O O . CYS A 0 30 . 10.370 -2.249 1.010 1.00 38.78 30 A 1 ATOM 232 S SG . CYS A 0 30 . 7.143 -1.830 -2.252 1.00 38.78 30 A 1 ATOM 233 N N . ASN A 0 31 . 10.207 -0.039 1.352 1.00 34.76 31 A 1 ATOM 234 C CA . ASN A 0 31 . 10.573 -0.075 2.758 1.00 34.76 31 A 1 ATOM 235 C C . ASN A 0 31 . 9.304 -0.482 3.531 1.00 34.76 31 A 1 ATOM 236 C CB . ASN A 0 31 . 11.175 1.292 3.166 1.00 34.76 31 A 1 ATOM 237 O O . ASN A 0 31 . 8.377 0.309 3.692 1.00 34.76 31 A 1 ATOM 238 C CG . ASN A 0 31 . 12.494 1.190 3.918 1.00 34.76 31 A 1 ATOM 239 N ND2 . ASN A 0 31 . 13.013 2.301 4.388 1.00 34.76 31 A 1 ATOM 240 O OD1 . ASN A 0 31 . 13.106 0.152 4.069 1.00 34.76 31 A 1 ATOM 241 N N . GLU A 0 32 . 9.225 -1.759 3.902 1.00 40.16 32 A 1 ATOM 242 C CA . GLU A 0 32 . 8.251 -2.334 4.849 1.00 40.16 32 A 1 ATOM 243 C C . GLU A 0 32 . 6.754 -2.267 4.465 1.00 40.16 32 A 1 ATOM 244 C CB . GLU A 0 32 . 8.532 -1.804 6.267 1.00 40.16 32 A 1 ATOM 245 O O . GLU A 0 32 . 5.890 -2.624 5.262 1.00 40.16 32 A 1 ATOM 246 C CG . GLU A 0 32 . 10.007 -1.982 6.674 1.00 40.16 32 A 1 ATOM 247 C CD . GLU A 0 32 . 10.258 -1.685 8.158 1.00 40.16 32 A 1 ATOM 248 O OE1 . GLU A 0 32 . 11.204 -2.293 8.708 1.00 40.16 32 A 1 ATOM 249 O OE2 . GLU A 0 32 . 9.528 -0.842 8.728 1.00 40.16 32 A 1 ATOM 250 N N . THR A 0 33 . 6.413 -1.879 3.232 1.00 36.74 33 A 1 ATOM 251 C CA . THR A 0 33 . 5.027 -1.863 2.720 1.00 36.74 33 A 1 ATOM 252 C C . THR A 0 33 . 4.971 -2.448 1.308 1.00 36.74 33 A 1 ATOM 253 C CB . THR A 0 33 . 4.393 -0.454 2.774 1.00 36.74 33 A 1 ATOM 254 O O . THR A 0 33 . 5.443 -1.838 0.353 1.00 36.74 33 A 1 ATOM 255 C CG2 . THR A 0 33 . 3.354 -0.357 3.891 1.00 36.74 33 A 1 ATOM 256 O OG1 . THR A 0 33 . 5.329 0.578 3.010 1.00 36.74 33 A 1 ATOM 257 N N . TYR A 0 34 . 4.445 -3.669 1.186 1.00 40.98 34 A 1 ATOM 258 C CA . TYR A 0 34 . 4.375 -4.452 -0.050 1.00 40.98 34 A 1 ATOM 259 C C . TYR A 0 34 . 3.504 -3.775 -1.126 1.00 40.98 34 A 1 ATOM 260 C CB . TYR A 0 34 . 3.806 -5.846 0.285 1.00 40.98 34 A 1 ATOM 261 O O . TYR A 0 34 . 2.334 -3.486 -0.882 1.00 40.98 34 A 1 ATOM 262 C CG . TYR A 0 34 . 4.663 -6.694 1.212 1.00 40.98 34 A 1 ATOM 263 C CD1 . TYR A 0 34 . 5.592 -7.602 0.666 1.00 40.98 34 A 1 ATOM 264 C CD2 . TYR A 0 34 . 4.521 -6.599 2.613 1.00 40.98 34 A 1 ATOM 265 C CE1 . TYR A 0 34 . 6.383 -8.402 1.512 1.00 40.98 34 A 1 ATOM 266 C CE2 . TYR A 0 34 . 5.318 -7.392 3.463 1.00 40.98 34 A 1 ATOM 267 O OH . TYR A 0 34 . 7.017 -9.073 3.722 1.00 40.98 34 A 1 ATOM 268 C CZ . TYR A 0 34 . 6.251 -8.297 2.912 1.00 40.98 34 A 1 ATOM 269 N N . CYS A 0 35 . 4.045 -3.593 -2.336 1.00 41.34 35 A 1 ATOM 270 C CA . CYS A 0 35 . 3.286 -3.280 -3.550 1.00 41.34 35 A 1 ATOM 271 C C . CYS A 0 35 . 3.641 -4.293 -4.644 1.00 41.34 35 A 1 ATOM 272 C CB . CYS A 0 35 . 3.574 -1.845 -4.020 1.00 41.34 35 A 1 ATOM 273 O O . CYS A 0 35 . 4.817 -4.491 -4.948 1.00 41.34 35 A 1 ATOM 274 S SG . CYS A 0 35 . 2.572 -0.654 -3.084 1.00 41.34 35 A 1 ATOM 275 N N . CYS A 0 36 . 2.622 -4.923 -5.234 1.00 42.82 36 A 1 ATOM 276 C CA . CYS A 0 36 . 2.784 -5.854 -6.346 1.00 42.82 36 A 1 ATOM 277 C C . CYS A 0 36 . 2.887 -5.111 -7.682 1.00 42.82 36 A 1 ATOM 278 C CB . CYS A 0 36 . 1.647 -6.883 -6.360 1.00 42.82 36 A 1 ATOM 279 O O . CYS A 0 36 . 2.038 -4.289 -8.030 1.00 42.82 36 A 1 ATOM 280 S SG . CYS A 0 36 . 1.904 -8.094 -5.033 1.00 42.82 36 A 1 ATOM 281 N N . GLU A 0 37 . 3.937 -5.453 -8.422 1.00 40.96 37 A 1 ATOM 282 C CA . GLU A 0 37 . 4.159 -5.120 -9.823 1.00 40.96 37 A 1 ATOM 283 C C . GLU A 0 37 . 2.945 -5.532 -10.662 1.00 40.96 37 A 1 ATOM 284 C CB . GLU A 0 37 . 5.425 -5.878 -10.248 1.00 40.96 37 A 1 ATOM 285 O O . GLU A 0 37 . 2.462 -6.660 -10.564 1.00 40.96 37 A 1 ATOM 286 C CG . GLU A 0 37 . 5.905 -5.601 -11.677 1.00 40.96 37 A 1 ATOM 287 C CD . GLU A 0 37 . 7.242 -6.309 -11.966 1.00 40.96 37 A 1 ATOM 288 O OE1 . GLU A 0 37 . 8.011 -5.761 -12.785 1.00 40.96 37 A 1 ATOM 289 O OE2 . GLU A 0 37 . 7.487 -7.382 -11.369 1.00 40.96 37 A 1 ATOM 290 N N . ASN A 0 38 . 2.434 -4.615 -11.481 1.00 44.73 38 A 1 ATOM 291 C CA . ASN A 0 38 . 1.373 -4.935 -12.416 1.00 44.73 38 A 1 ATOM 292 C C . ASN A 0 38 . 1.892 -4.807 -13.845 1.00 44.73 38 A 1 ATOM 293 C CB . ASN A 0 38 . 0.138 -4.090 -12.109 1.00 44.73 38 A 1 ATOM 294 O O . ASN A 0 38 . 2.002 -3.700 -14.374 1.00 44.73 38 A 1 ATOM 295 C CG . ASN A 0 38 . -0.974 -4.566 -13.003 1.00 44.73 38 A 1 ATOM 296 N ND2 . ASN A 0 38 . -1.324 -3.787 -13.986 1.00 44.73 38 A 1 ATOM 297 O OD1 . ASN A 0 38 . -1.447 -5.682 -12.933 1.00 44.73 38 A 1 ATOM 298 N N . THR A 0 39 . 2.181 -5.955 -14.451 1.00 40.47 39 A 1 ATOM 299 C CA . THR A 0 39 . 2.473 -6.103 -15.874 1.00 40.47 39 A 1 ATOM 300 C C . THR A 0 39 . 1.236 -5.680 -16.672 1.00 40.47 39 A 1 ATOM 301 C CB . THR A 0 39 . 2.878 -7.556 -16.190 1.00 40.47 39 A 1 ATOM 302 O O . THR A 0 39 . 0.178 -6.302 -16.598 1.00 40.47 39 A 1 ATOM 303 C CG2 . THR A 0 39 . 3.743 -7.662 -17.442 1.00 40.47 39 A 1 ATOM 304 O OG1 . THR A 0 39 . 3.623 -8.116 -15.127 1.00 40.47 39 A 1 ATOM 305 N N . ASP A 0 40 . 1.372 -4.557 -17.366 1.00 48.71 40 A 1 ATOM 306 C CA . ASP A 0 40 . 0.562 -4.026 -18.467 1.00 48.71 40 A 1 ATOM 307 C C . ASP A 0 40 . -0.972 -3.861 -18.354 1.00 48.71 40 A 1 ATOM 308 C CB . ASP A 0 40 . 1.010 -4.713 -19.767 1.00 48.71 40 A 1 ATOM 309 O O . ASP A 0 40 . -1.501 -3.080 -19.135 1.00 48.71 40 A 1 ATOM 310 C CG . ASP A 0 40 . 2.285 -4.043 -20.287 1.00 48.71 40 A 1 ATOM 311 O OD1 . ASP A 0 40 . 2.171 -3.267 -21.260 1.00 48.71 40 A 1 ATOM 312 O OD2 . ASP A 0 40 . 3.347 -4.264 -19.661 1.00 48.71 40 A 1 ATOM 313 N N . ASN A 0 41 . -1.720 -4.456 -17.410 1.00 46.71 41 A 1 ATOM 314 C CA . ASN A 0 41 . -3.184 -4.579 -17.606 1.00 46.71 41 A 1 ATOM 315 C C . ASN A 0 41 . -4.125 -4.416 -16.382 1.00 46.71 41 A 1 ATOM 316 C CB . ASN A 0 41 . -3.433 -5.865 -18.435 1.00 46.71 41 A 1 ATOM 317 O O . ASN A 0 41 . -5.190 -5.028 -16.340 1.00 46.71 41 A 1 ATOM 318 C CG . ASN A 0 41 . -3.836 -5.581 -19.875 1.00 46.71 41 A 1 ATOM 319 N ND2 . ASN A 0 41 . -4.622 -6.444 -20.472 1.00 46.71 41 A 1 ATOM 320 O OD1 . ASN A 0 41 . -3.485 -4.609 -20.508 1.00 46.71 41 A 1 ATOM 321 N N . GLY A 0 42 . -3.823 -3.553 -15.403 1.00 47.31 42 A 1 ATOM 322 C CA . GLY A 0 42 . -4.775 -3.230 -14.317 1.00 47.31 42 A 1 ATOM 323 C C . GLY A 0 42 . -4.169 -3.077 -12.920 1.00 47.31 42 A 1 ATOM 324 O O . GLY A 0 42 . -3.771 -4.045 -12.291 1.00 47.31 42 A 1 ATOM 325 N N . LYS A 0 43 . -4.159 -1.844 -12.404 1.00 46.86 43 A 1 ATOM 326 C CA . LYS A 0 43 . -3.626 -1.469 -11.083 1.00 46.86 43 A 1 ATOM 327 C C . LYS A 0 43 . -4.187 -2.366 -9.963 1.00 46.86 43 A 1 ATOM 328 C CB . LYS A 0 43 . -3.985 0.007 -10.806 1.00 46.86 43 A 1 ATOM 329 O O . LYS A 0 43 . -5.374 -2.283 -9.656 1.00 46.86 43 A 1 ATOM 330 C CG . LYS A 0 43 . -3.384 0.989 -11.827 1.00 46.86 43 A 1 ATOM 331 C CD . LYS A 0 43 . -3.830 2.431 -11.546 1.00 46.86 43 A 1 ATOM 332 C CE . LYS A 0 43 . -3.206 3.375 -12.583 1.00 46.86 43 A 1 ATOM 333 N NZ . LYS A 0 43 . -3.501 4.799 -12.286 1.00 46.86 43 A 1 ATOM 334 N N . LEU A 0 44 . -3.341 -3.175 -9.325 1.00 47.45 44 A 1 ATOM 335 C CA . LEU A 0 44 . -3.672 -3.856 -8.071 1.00 47.45 44 A 1 ATOM 336 C C . LEU A 0 44 . -3.276 -2.973 -6.880 1.00 47.45 44 A 1 ATOM 337 C CB . LEU A 0 44 . -3.003 -5.243 -8.000 1.00 47.45 44 A 1 ATOM 338 O O . LEU A 0 44 . -2.153 -2.478 -6.810 1.00 47.45 44 A 1 ATOM 339 C CG . LEU A 0 44 . -3.735 -6.330 -8.819 1.00 47.45 44 A 1 ATOM 340 C CD1 . LEU A 0 44 . -2.913 -6.795 -10.017 1.00 47.45 44 A 1 ATOM 341 C CD2 . LEU A 0 44 . -4.029 -7.557 -7.951 1.00 47.45 44 A 1 ATOM 342 N N . CYS A 0 45 . -4.198 -2.794 -5.934 1.00 45.06 45 A 1 ATOM 343 C CA . CYS A 0 45 . -3.915 -2.247 -4.608 1.00 45.06 45 A 1 ATOM 344 C C . CYS A 0 45 . -4.008 -3.393 -3.598 1.00 45.06 45 A 1 ATOM 345 C CB . CYS A 0 45 . -4.907 -1.124 -4.264 1.00 45.06 45 A 1 ATOM 346 O O . CYS A 0 45 . -4.989 -4.134 -3.611 1.00 45.06 45 A 1 ATOM 347 S SG . CYS A 0 45 . -4.676 0.316 -5.350 1.00 45.06 45 A 1 ATOM 348 N N . CYS A 0 46 . -3.008 -3.542 -2.733 1.00 43.85 46 A 1 ATOM 349 C CA . CYS A 0 46 . -3.046 -4.520 -1.649 1.00 43.85 46 A 1 ATOM 350 C C . CYS A 0 46 . -3.659 -3.881 -0.391 1.00 43.85 46 A 1 ATOM 351 C CB . CYS A 0 46 . -1.645 -5.122 -1.445 1.00 43.85 46 A 1 ATOM 352 O O . CYS A 0 46 . -3.419 -2.703 -0.114 1.00 43.85 46 A 1 ATOM 353 S SG . CYS A 0 46 . -0.903 -5.782 -2.978 1.00 43.85 46 A 1 ATOM 354 N N . ASP A 0 47 . -4.459 -4.651 0.350 1.00 43.76 47 A 1 ATOM 355 C CA . ASP A 0 47 . -5.017 -4.262 1.648 1.00 43.76 47 A 1 ATOM 356 C C . ASP A 0 47 . -4.400 -5.176 2.717 1.00 43.76 47 A 1 ATOM 357 C CB . ASP A 0 47 . -6.558 -4.308 1.620 1.00 43.76 47 A 1 ATOM 358 O O . ASP A 0 47 . -4.726 -6.359 2.826 1.00 43.76 47 A 1 ATOM 359 C CG . ASP A 0 47 . -7.194 -3.745 2.904 1.00 43.76 47 A 1 ATOM 360 O OD1 . ASP A 0 47 . -6.664 -2.739 3.438 1.00 43.76 47 A 1 ATOM 361 O OD2 . ASP A 0 47 . -8.234 -4.289 3.340 1.00 43.76 47 A 1 ATOM 362 N N . GLY A 0 48 . -3.430 -4.647 3.465 1.00 53.00 48 A 1 ATOM 363 C CA . GLY A 0 48 . -2.665 -5.417 4.451 1.00 53.00 48 A 1 ATOM 364 C C . GLY A 0 48 . -1.732 -6.465 3.827 1.00 53.00 48 A 1 ATOM 365 O O . GLY A 0 48 . -1.078 -6.203 2.822 1.00 53.00 48 A 1 ATOM 366 N N . GLU A 0 49 . -1.656 -7.649 4.445 1.00 44.00 49 A 1 ATOM 367 C CA . GLU A 0 49 . -0.838 -8.789 3.980 1.00 44.00 49 A 1 ATOM 368 C C . GLU A 0 49 . -1.420 -9.504 2.748 1.00 44.00 49 A 1 ATOM 369 C CB . GLU A 0 49 . -0.659 -9.807 5.122 1.00 44.00 49 A 1 ATOM 370 O O . GLU A 0 49 . -0.796 -10.415 2.207 1.00 44.00 49 A 1 ATOM 371 C CG . GLU A 0 49 . 0.220 -9.281 6.265 1.00 44.00 49 A 1 ATOM 372 C CD . GLU A 0 49 . 0.479 -10.361 7.328 1.00 44.00 49 A 1 ATOM 373 O OE1 . GLU A 0 49 . 1.646 -10.473 7.767 1.00 44.00 49 A 1 ATOM 374 O OE2 . GLU A 0 49 . -0.502 -11.033 7.725 1.00 44.00 49 A 1 ATOM 375 N N . TYR A 0 50 . -2.610 -9.107 2.285 1.00 46.17 50 A 1 ATOM 376 C CA . TYR A 0 50 . -3.316 -9.792 1.210 1.00 46.17 50 A 1 ATOM 377 C C . TYR A 0 50 . -3.529 -8.850 0.024 1.00 46.17 50 A 1 ATOM 378 C CB . TYR A 0 50 . -4.624 -10.397 1.744 1.00 46.17 50 A 1 ATOM 379 O O . TYR A 0 50 . -4.268 -7.864 0.085 1.00 46.17 50 A 1 ATOM 380 C CG . TYR A 0 50 . -4.429 -11.341 2.921 1.00 46.17 50 A 1 ATOM 381 C CD1 . TYR A 0 50 . -4.128 -12.702 2.707 1.00 46.17 50 A 1 ATOM 382 C CD2 . TYR A 0 50 . -4.503 -10.840 4.236 1.00 46.17 50 A 1 ATOM 383 C CE1 . TYR A 0 50 . -3.907 -13.558 3.805 1.00 46.17 50 A 1 ATOM 384 C CE2 . TYR A 0 50 . -4.254 -11.686 5.334 1.00 46.17 50 A 1 ATOM 385 O OH . TYR A 0 50 . -3.695 -13.863 6.174 1.00 46.17 50 A 1 ATOM 386 C CZ . TYR A 0 50 . -3.956 -13.048 5.119 1.00 46.17 50 A 1 ATOM 387 N N . CYS A 0 51 . -2.923 -9.185 -1.113 1.00 46.19 51 A 1 ATOM 388 C CA . CYS A 0 51 . -3.271 -8.567 -2.386 1.00 46.19 51 A 1 ATOM 389 C C . CYS A 0 51 . -4.575 -9.198 -2.888 1.00 46.19 51 A 1 ATOM 390 C CB . CYS A 0 51 . -2.090 -8.665 -3.349 1.00 46.19 51 A 1 ATOM 391 O O . CYS A 0 51 . -4.583 -10.219 -3.577 1.00 46.19 51 A 1 ATOM 392 S SG . CYS A 0 51 . -0.608 -7.802 -2.743 1.00 46.19 51 A 1 ATOM 393 N N . SER A 0 52 . -5.699 -8.611 -2.480 1.00 46.75 52 A 1 ATOM 394 C CA . SER A 0 52 . -7.022 -9.045 -2.918 1.00 46.75 52 A 1 ATOM 395 C C . SER A 0 52 . -7.274 -8.546 -4.340 1.00 46.75 52 A 1 ATOM 396 C CB . SER A 0 52 . -8.106 -8.580 -1.944 1.00 46.75 52 A 1 ATOM 397 O O . SER A 0 52 . -7.549 -7.372 -4.546 1.00 46.75 52 A 1 ATOM 398 O OG . SER A 0 52 . -7.935 -9.237 -0.701 1.00 46.75 52 A 1 ATOM 399 N N . ALA A 0 53 . -7.105 -9.467 -5.292 1.00 45.12 53 A 1 ATOM 400 C CA . ALA A 0 53 . -7.648 -9.522 -6.651 1.00 45.12 53 A 1 ATOM 401 C C . ALA A 0 53 . -7.978 -8.192 -7.367 1.00 45.12 53 A 1 ATOM 402 C CB . ALA A 0 53 . -8.872 -10.446 -6.617 1.00 45.12 53 A 1 ATOM 403 O O . ALA A 0 53 . -8.894 -7.470 -6.989 1.00 45.12 53 A 1 ATOM 404 N N . SER A 0 54 . -7.282 -7.971 -8.492 1.00 42.86 54 A 1 ATOM 405 C CA . SER A 0 54 . -7.651 -7.141 -9.654 1.00 42.86 54 A 1 ATOM 406 C C . SER A 0 54 . -9.031 -6.473 -9.553 1.00 42.86 54 A 1 ATOM 407 C CB . SER A 0 54 . -7.597 -8.042 -10.898 1.00 42.86 54 A 1 ATOM 408 O O . SER A 0 54 . -10.055 -7.036 -9.947 1.00 42.86 54 A 1 ATOM 409 O OG . SER A 0 54 . -7.967 -7.356 -12.076 1.00 42.86 54 A 1 ATOM 410 N N . ILE A 0 55 . -9.065 -5.237 -9.048 1.00 46.07 55 A 1 ATOM 411 C CA . ILE A 0 55 . -10.253 -4.393 -9.155 1.00 46.07 55 A 1 ATOM 412 C C . ILE A 0 55 . -10.231 -3.801 -10.565 1.00 46.07 55 A 1 ATOM 413 C CB . ILE A 0 55 . -10.344 -3.355 -8.016 1.00 46.07 55 A 1 ATOM 414 O O . ILE A 0 55 . -9.736 -2.703 -10.807 1.00 46.07 55 A 1 ATOM 415 C CG1 . ILE A 0 55 . -10.384 -4.062 -6.639 1.00 46.07 55 A 1 ATOM 416 C CG2 . ILE A 0 55 . -11.610 -2.499 -8.206 1.00 46.07 55 A 1 ATOM 417 C CD1 . ILE A 0 55 . -10.332 -3.112 -5.435 1.00 46.07 55 A 1 ATOM 418 N N . SER A 0 56 . -10.744 -4.570 -11.521 1.00 45.69 56 A 1 ATOM 419 C CA . SER A 0 56 . -10.896 -4.156 -12.922 1.00 45.69 56 A 1 ATOM 420 C C . SER A 0 56 . -11.997 -3.106 -13.122 1.00 45.69 56 A 1 ATOM 421 C CB . SER A 0 56 . -11.149 -5.385 -13.801 1.00 45.69 56 A 1 ATOM 422 O O . SER A 0 56 . -12.108 -2.530 -14.202 1.00 45.69 56 A 1 ATOM 423 O OG . SER A 0 56 . -12.226 -6.154 -13.295 1.00 45.69 56 A 1 ATOM 424 N N . ASN A 0 57 . -12.798 -2.818 -12.090 1.00 42.98 57 A 1 ATOM 425 C CA . ASN A 0 57 . -13.958 -1.948 -12.199 1.00 42.98 57 A 1 ATOM 426 C C . ASN A 0 57 . -13.942 -0.834 -11.140 1.00 42.98 57 A 1 ATOM 427 C CB . ASN A 0 57 . -15.218 -2.832 -12.176 1.00 42.98 57 A 1 ATOM 428 O O . ASN A 0 57 . -13.994 -1.078 -9.935 1.00 42.98 57 A 1 ATOM 429 C CG . ASN A 0 57 . -16.331 -2.265 -13.030 1.00 42.98 57 A 1 ATOM 430 N ND2 . ASN A 0 57 . -17.265 -3.094 -13.428 1.00 42.98 57 A 1 ATOM 431 O OD1 . ASN A 0 57 . -16.375 -1.083 -13.340 1.00 42.98 57 A 1 ATOM 432 N N . HIS A 0 58 . -13.915 0.421 -11.595 1.00 49.90 58 A 1 ATOM 433 C CA . HIS A 0 58 . -13.868 1.630 -10.756 1.00 49.90 58 A 1 ATOM 434 C C . HIS A 0 58 . -15.049 1.719 -9.759 1.00 49.90 58 A 1 ATOM 435 C CB . HIS A 0 58 . -13.850 2.833 -11.718 1.00 49.90 58 A 1 ATOM 436 O O . HIS A 0 58 . -14.980 2.403 -8.733 1.00 49.90 58 A 1 ATOM 437 C CG . HIS A 0 58 . -13.180 4.069 -11.177 1.00 49.90 58 A 1 ATOM 438 C CD2 . HIS A 0 58 . -11.974 4.575 -11.582 1.00 49.90 58 A 1 ATOM 439 N ND1 . HIS A 0 58 . -13.677 4.923 -10.219 1.00 49.90 58 A 1 ATOM 440 C CE1 . HIS A 0 58 . -12.791 5.921 -10.056 1.00 49.90 58 A 1 ATOM 441 N NE2 . HIS A 0 58 . -11.735 5.750 -10.864 1.00 49.90 58 A 1 ATOM 442 N N . GLN A 0 59 . -16.142 1.003 -10.047 1.00 52.16 59 A 1 ATOM 443 C CA . GLN A 0 59 . -17.317 0.894 -9.183 1.00 52.16 59 A 1 ATOM 444 C C . GLN A 0 59 . -17.082 -0.005 -7.958 1.00 52.16 59 A 1 ATOM 445 C CB . GLN A 0 59 . -18.505 0.391 -10.017 1.00 52.16 59 A 1 ATOM 446 O O . GLN A 0 59 . -17.572 0.318 -6.872 1.00 52.16 59 A 1 ATOM 447 C CG . GLN A 0 59 . -18.920 1.420 -11.082 1.00 52.16 59 A 1 ATOM 448 C CD . GLN A 0 59 . -20.175 1.010 -11.845 1.00 52.16 59 A 1 ATOM 449 N NE2 . GLN A 0 59 . -20.925 1.952 -12.374 1.00 52.16 59 A 1 ATOM 450 O OE1 . GLN A 0 59 . -20.518 -0.148 -11.982 1.00 52.16 59 A 1 ATOM 451 N N . ASP A 0 60 . -16.285 -1.068 -8.084 1.00 51.87 60 A 1 ATOM 452 C CA . ASP A 0 60 . -15.976 -1.965 -6.964 1.00 51.87 60 A 1 ATOM 453 C C . ASP A 0 60 . -14.956 -1.352 -6.005 1.00 51.87 60 A 1 ATOM 454 C CB . ASP A 0 60 . -15.526 -3.339 -7.479 1.00 51.87 60 A 1 ATOM 455 O O . ASP A 0 60 . -15.060 -1.549 -4.794 1.00 51.87 60 A 1 ATOM 456 C CG . ASP A 0 60 . -16.719 -4.163 -7.967 1.00 51.87 60 A 1 ATOM 457 O OD1 . ASP A 0 60 . -17.752 -4.174 -7.251 1.00 51.87 60 A 1 ATOM 458 O OD2 . ASP A 0 60 . -16.607 -4.728 -9.075 1.00 51.87 60 A 1 ATOM 459 N N . LEU A 0 61 . -14.062 -0.489 -6.506 1.00 50.91 61 A 1 ATOM 460 C CA . LEU A 0 61 . -13.165 0.300 -5.657 1.00 50.91 61 A 1 ATOM 461 C C . LEU A 0 61 . -13.955 1.195 -4.695 1.00 50.91 61 A 1 ATOM 462 C CB . LEU A 0 61 . -12.231 1.145 -6.544 1.00 50.91 61 A 1 ATOM 463 O O . LEU A 0 61 . -13.612 1.307 -3.521 1.00 50.91 61 A 1 ATOM 464 C CG . LEU A 0 61 . -11.127 1.877 -5.754 1.00 50.91 61 A 1 ATOM 465 C CD1 . LEU A 0 61 . -10.151 0.901 -5.092 1.00 50.91 61 A 1 ATOM 466 C CD2 . LEU A 0 61 . -10.338 2.785 -6.696 1.00 50.91 61 A 1 ATOM 467 N N . THR A 0 62 . -15.050 1.791 -5.173 1.00 52.56 62 A 1 ATOM 468 C CA . THR A 0 62 . -15.883 2.685 -4.356 1.00 52.56 62 A 1 ATOM 469 C C . THR A 0 62 . -16.600 1.907 -3.253 1.00 52.56 62 A 1 ATOM 470 C CB . THR A 0 62 . -16.895 3.459 -5.215 1.00 52.56 62 A 1 ATOM 471 O O . THR A 0 62 . -16.622 2.355 -2.108 1.00 52.56 62 A 1 ATOM 472 C CG2 . THR A 0 62 . -17.507 4.627 -4.438 1.00 52.56 62 A 1 ATOM 473 O OG1 . THR A 0 62 . -16.270 4.028 -6.348 1.00 52.56 62 A 1 ATOM 474 N N . LYS A 0 63 . -17.119 0.707 -3.555 1.00 54.42 63 A 1 ATOM 475 C CA . LYS A 0 63 . -17.715 -0.183 -2.543 1.00 54.42 63 A 1 ATOM 476 C C . LYS A 0 63 . -16.679 -0.703 -1.550 1.00 54.42 63 A 1 ATOM 477 C CB . LYS A 0 63 . -18.413 -1.369 -3.215 1.00 54.42 63 A 1 ATOM 478 O O . LYS A 0 63 . -16.953 -0.741 -0.354 1.00 54.42 63 A 1 ATOM 479 C CG . LYS A 0 63 . -19.783 -0.995 -3.790 1.00 54.42 63 A 1 ATOM 480 C CD . LYS A 0 63 . -20.407 -2.245 -4.418 1.00 54.42 63 A 1 ATOM 481 C CE . LYS A 0 63 . -21.749 -1.928 -5.078 1.00 54.42 63 A 1 ATOM 482 N NZ . LYS A 0 63 . -22.257 -3.127 -5.787 1.00 54.42 63 A 1 ATOM 483 N N . HIS A 0 64 . -15.485 -1.066 -2.016 1.00 55.05 64 A 1 ATOM 484 C CA . HIS A 0 64 . -14.415 -1.549 -1.147 1.00 55.05 64 A 1 ATOM 485 C C . HIS A 0 64 . -13.910 -0.442 -0.209 1.00 55.05 64 A 1 ATOM 486 C CB . HIS A 0 64 . -13.299 -2.155 -2.005 1.00 55.05 64 A 1 ATOM 487 O O . HIS A 0 64 . -13.809 -0.654 0.999 1.00 55.05 64 A 1 ATOM 488 C CG . HIS A 0 64 . -12.307 -2.931 -1.182 1.00 55.05 64 A 1 ATOM 489 C CD2 . HIS A 0 64 . -10.959 -2.714 -1.110 1.00 55.05 64 A 1 ATOM 490 N ND1 . HIS A 0 64 . -12.588 -4.008 -0.366 1.00 55.05 64 A 1 ATOM 491 C CE1 . HIS A 0 64 . -11.436 -4.417 0.195 1.00 55.05 64 A 1 ATOM 492 N NE2 . HIS A 0 64 . -10.424 -3.655 -0.233 1.00 55.05 64 A 1 ATOM 493 N N . GLN A 0 65 . -13.724 0.779 -0.723 1.00 53.54 65 A 1 ATOM 494 C CA . GLN A 0 65 . -13.403 1.950 0.094 1.00 53.54 65 A 1 ATOM 495 C C . GLN A 0 65 . -14.525 2.313 1.071 1.00 53.54 65 A 1 ATOM 496 C CB . GLN A 0 65 . -13.080 3.155 -0.799 1.00 53.54 65 A 1 ATOM 497 O O . GLN A 0 65 . -14.241 2.657 2.218 1.00 53.54 65 A 1 ATOM 498 C CG . GLN A 0 65 . -11.686 3.037 -1.430 1.00 53.54 65 A 1 ATOM 499 C CD . GLN A 0 65 . -11.229 4.334 -2.087 1.00 53.54 65 A 1 ATOM 500 N NE2 . GLN A 0 65 . -9.940 4.501 -2.286 1.00 53.54 65 A 1 ATOM 501 O OE1 . GLN A 0 65 . -11.995 5.227 -2.410 1.00 53.54 65 A 1 ATOM 502 N N . GLN A 0 66 . -15.793 2.201 0.665 1.00 56.85 66 A 1 ATOM 503 C CA . GLN A 0 66 . -16.927 2.385 1.572 1.00 56.85 66 A 1 ATOM 504 C C . GLN A 0 66 . -16.913 1.347 2.699 1.00 56.85 66 A 1 ATOM 505 C CB . GLN A 0 66 . -18.250 2.338 0.795 1.00 56.85 66 A 1 ATOM 506 O O . GLN A 0 66 . -17.037 1.728 3.859 1.00 56.85 66 A 1 ATOM 507 C CG . GLN A 0 66 . -18.539 3.669 0.085 1.00 56.85 66 A 1 ATOM 508 C CD . GLN A 0 66 . -19.774 3.612 -0.809 1.00 56.85 66 A 1 ATOM 509 N NE2 . GLN A 0 66 . -20.254 4.745 -1.277 1.00 56.85 66 A 1 ATOM 510 O OE1 . GLN A 0 66 . -20.345 2.578 -1.107 1.00 56.85 66 A 1 ATOM 511 N N . ASN A 0 67 . -16.675 0.070 2.396 1.00 56.62 67 A 1 ATOM 512 C CA . ASN A 0 67 . -16.594 -0.989 3.404 1.00 56.62 67 A 1 ATOM 513 C C . ASN A 0 67 . -15.400 -0.802 4.357 1.00 56.62 67 A 1 ATOM 514 C CB . ASN A 0 67 . -16.561 -2.352 2.694 1.00 56.62 67 A 1 ATOM 515 O O . ASN A 0 67 . -15.547 -0.988 5.563 1.00 56.62 67 A 1 ATOM 516 C CG . ASN A 0 67 . -17.905 -2.747 2.104 1.00 56.62 67 A 1 ATOM 517 N ND2 . ASN A 0 67 . -17.935 -3.776 1.289 1.00 56.62 67 A 1 ATOM 518 O OD1 . ASN A 0 67 . -18.945 -2.177 2.382 1.00 56.62 67 A 1 ATOM 519 N N . LEU A 0 68 . -14.247 -0.346 3.860 1.00 55.75 68 A 1 ATOM 520 C CA . LEU A 0 68 . -13.083 -0.000 4.687 1.00 55.75 68 A 1 ATOM 521 C C . LEU A 0 68 . -13.356 1.200 5.606 1.00 55.75 68 A 1 ATOM 522 C CB . LEU A 0 68 . -11.892 0.284 3.755 1.00 55.75 68 A 1 ATOM 523 O O . LEU A 0 68 . -12.970 1.195 6.777 1.00 55.75 68 A 1 ATOM 524 C CG . LEU A 0 68 . -11.188 -1.000 3.281 1.00 55.75 68 A 1 ATOM 525 C CD1 . LEU A 0 68 . -10.403 -0.727 2.001 1.00 55.75 68 A 1 ATOM 526 C CD2 . LEU A 0 68 . -10.220 -1.486 4.360 1.00 55.75 68 A 1 ATOM 527 N N . LEU A 0 69 . -14.052 2.222 5.104 1.00 54.68 69 A 1 ATOM 528 C CA . LEU A 0 69 . -14.473 3.380 5.898 1.00 54.68 69 A 1 ATOM 529 C C . LEU A 0 69 . -15.525 3.000 6.953 1.00 54.68 69 A 1 ATOM 530 C CB . LEU A 0 69 . -14.994 4.477 4.951 1.00 54.68 69 A 1 ATOM 531 O O . LEU A 0 69 . -15.498 3.548 8.057 1.00 54.68 69 A 1 ATOM 532 C CG . LEU A 0 69 . -13.884 5.205 4.169 1.00 54.68 69 A 1 ATOM 533 C CD1 . LEU A 0 69 . -14.492 5.981 3.000 1.00 54.68 69 A 1 ATOM 534 C CD2 . LEU A 0 69 . -13.133 6.202 5.058 1.00 54.68 69 A 1 ATOM 535 N N . MET A 0 70 . -16.407 2.042 6.650 1.00 52.45 70 A 1 ATOM 536 C CA . MET A 0 70 . -17.367 1.479 7.608 1.00 52.45 70 A 1 ATOM 537 C C . MET A 0 70 . -16.650 0.660 8.695 1.00 52.45 70 A 1 ATOM 538 C CB . MET A 0 70 . -18.416 0.627 6.875 1.00 52.45 70 A 1 ATOM 539 O O . MET A 0 70 . -16.928 0.855 9.879 1.00 52.45 70 A 1 ATOM 540 C CG . MET A 0 70 . -19.345 1.421 5.945 1.00 52.45 70 A 1 ATOM 541 S SD . MET A 0 70 . -20.714 2.307 6.733 1.00 52.45 70 A 1 ATOM 542 C CE . MET A 0 70 . -21.755 2.552 5.266 1.00 52.45 70 A 1 ATOM 543 N N . SER A 0 71 . -15.658 -0.161 8.331 1.00 51.21 71 A 1 ATOM 544 C CA . SER A 0 71 . -14.853 -0.933 9.292 1.00 51.21 71 A 1 ATOM 545 C C . SER A 0 71 . -13.975 -0.054 10.188 1.00 51.21 71 A 1 ATOM 546 C CB . SER A 0 71 . -13.985 -1.962 8.562 1.00 51.21 71 A 1 ATOM 547 O O . SER A 0 71 . -13.818 -0.348 11.372 1.00 51.21 71 A 1 ATOM 548 O OG . SER A 0 71 . -14.796 -3.040 8.148 1.00 51.21 71 A 1 ATOM 549 N N . LYS A 0 72 . -13.440 1.066 9.680 1.00 50.75 72 A 1 ATOM 550 C CA . LYS A 0 72 . -12.682 2.023 10.510 1.00 50.75 72 A 1 ATOM 551 C C . LYS A 0 72 . -13.575 2.839 11.448 1.00 50.75 72 A 1 ATOM 552 C CB . LYS A 0 72 . -11.796 2.924 9.635 1.00 50.75 72 A 1 ATOM 553 O O . LYS A 0 72 . -13.129 3.195 12.534 1.00 50.75 72 A 1 ATOM 554 C CG . LYS A 0 72 . -10.583 2.145 9.101 1.00 50.75 72 A 1 ATOM 555 C CD . LYS A 0 72 . -9.606 3.044 8.329 1.00 50.75 72 A 1 ATOM 556 C CE . LYS A 0 72 . -8.434 2.185 7.831 1.00 50.75 72 A 1 ATOM 557 N NZ . LYS A 0 72 . -7.392 2.977 7.129 1.00 50.75 72 A 1 ATOM 558 N N . LYS A 0 73 . -14.837 3.092 11.080 1.00 48.52 73 A 1 ATOM 559 C CA . LYS A 0 73 . -15.811 3.752 11.967 1.00 48.52 73 A 1 ATOM 560 C C . LYS A 0 73 . -16.329 2.852 13.091 1.00 48.52 73 A 1 ATOM 561 C CB . LYS A 0 73 . -16.970 4.338 11.151 1.00 48.52 73 A 1 ATOM 562 O O . LYS A 0 73 . -16.751 3.382 14.110 1.00 48.52 73 A 1 ATOM 563 C CG . LYS A 0 73 . -16.601 5.715 10.584 1.00 48.52 73 A 1 ATOM 564 C CD . LYS A 0 73 . -17.818 6.344 9.900 1.00 48.52 73 A 1 ATOM 565 C CE . LYS A 0 73 . -17.511 7.791 9.505 1.00 48.52 73 A 1 ATOM 566 N NZ . LYS A 0 73 . -18.708 8.440 8.916 1.00 48.52 73 A 1 ATOM 567 N N . PHE A 0 74 . -16.252 1.529 12.947 1.00 42.59 74 A 1 ATOM 568 C CA . PHE A 0 74 . -16.662 0.582 13.991 1.00 42.59 74 A 1 ATOM 569 C C . PHE A 0 74 . -15.561 0.239 15.011 1.00 42.59 74 A 1 ATOM 570 C CB . PHE A 0 74 . -17.283 -0.668 13.345 1.00 42.59 74 A 1 ATOM 571 O O . PHE A 0 74 . -15.838 -0.442 15.992 1.00 42.59 74 A 1 ATOM 572 C CG . PHE A 0 74 . -18.753 -0.812 13.679 1.00 42.59 74 A 1 ATOM 573 C CD1 . PHE A 0 74 . -19.148 -1.542 14.816 1.00 42.59 74 A 1 ATOM 574 C CD2 . PHE A 0 74 . -19.725 -0.179 12.881 1.00 42.59 74 A 1 ATOM 575 C CE1 . PHE A 0 74 . -20.511 -1.655 15.142 1.00 42.59 74 A 1 ATOM 576 C CE2 . PHE A 0 74 . -21.089 -0.288 13.211 1.00 42.59 74 A 1 ATOM 577 C CZ . PHE A 0 74 . -21.481 -1.029 14.339 1.00 42.59 74 A 1 ATOM 578 N N . LYS A 0 75 . -14.327 0.733 14.823 1.00 42.01 75 A 1 ATOM 579 C CA . LYS A 0 75 . -13.197 0.527 15.752 1.00 42.01 75 A 1 ATOM 580 C C . LYS A 0 75 . -12.930 1.736 16.665 1.00 42.01 75 A 1 ATOM 581 C CB . LYS A 0 75 . -11.971 0.016 14.970 1.00 42.01 75 A 1 ATOM 582 O O . LYS A 0 75 . -11.802 1.951 17.095 1.00 42.01 75 A 1 ATOM 583 C CG . LYS A 0 75 . -11.087 -0.906 15.827 1.00 42.01 75 A 1 ATOM 584 C CD . LYS A 0 75 . -9.993 -1.571 14.981 1.00 42.01 75 A 1 ATOM 585 C CE . LYS A 0 75 . -9.212 -2.571 15.842 1.00 42.01 75 A 1 ATOM 586 N NZ . LYS A 0 75 . -8.202 -3.320 15.050 1.00 42.01 75 A 1 ATOM 587 N N . ILE A 0 76 . -13.971 2.531 16.926 1.00 39.56 76 A 1 ATOM 588 C CA . ILE A 0 76 . -13.982 3.636 17.894 1.00 39.56 76 A 1 ATOM 589 C C . ILE A 0 76 . -15.159 3.395 18.851 1.00 39.56 76 A 1 ATOM 590 C CB . ILE A 0 76 . -14.026 5.027 17.206 1.00 39.56 76 A 1 ATOM 591 O O . ILE A 0 76 . -16.188 4.063 18.776 1.00 39.56 76 A 1 ATOM 592 C CG1 . ILE A 0 76 . -12.932 5.175 16.120 1.00 39.56 76 A 1 ATOM 593 C CG2 . ILE A 0 76 . -13.865 6.140 18.264 1.00 39.56 76 A 1 ATOM 594 C CD1 . ILE A 0 76 . -13.009 6.484 15.324 1.00 39.56 76 A 1 ATOM 595 N N . ILE A 0 77 . -15.014 2.370 19.689 1.00 40.32 77 A 1 ATOM 596 C CA . ILE A 0 77 . -15.675 2.209 20.991 1.00 40.32 77 A 1 ATOM 597 C C . ILE A 0 77 . -14.583 1.732 21.941 1.00 40.32 77 A 1 ATOM 598 C CB . ILE A 0 77 . -16.889 1.252 20.952 1.00 40.32 77 A 1 ATOM 599 O O . ILE A 0 77 . -13.813 0.840 21.513 1.00 40.32 77 A 1 ATOM 600 C CG1 . ILE A 0 77 . -17.976 1.781 19.989 1.00 40.32 77 A 1 ATOM 601 C CG2 . ILE A 0 77 . -17.457 1.095 22.377 1.00 40.32 77 A 1 ATOM 602 C CD1 . ILE A 0 77 . -19.219 0.892 19.867 1.00 40.32 77 A 1 ATOM 603 O OXT . ILE A 0 77 . -14.502 2.338 23.026 1.00 40.32 77 A 1 # _audit_conform.dict_name mmcif_ma.dic _audit_conform.dict_version 1.3.9 _audit_conform.dict_location https://raw.githubusercontent.com/ihmwg/ModelCIF/master/dist/mmcif_ma.dic # loop_ _pdbx_data_usage.id _pdbx_data_usage.type _pdbx_data_usage.details _pdbx_data_usage.url _pdbx_data_usage.name 1 license 'Data in this file is available under a CC-BY-4.0 license.' https://creativecommons.org/licenses/by/4.0/ CC-BY-4.0 2 disclaimer ;ALPHAFOLD DATA, COPYRIGHT (2021) DEEPMIND TECHNOLOGIES LIMITED. THE INFORMATION PROVIDED IS THEORETICAL MODELLING ONLY AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT USE OF THE INFORMATION SHALL NOT INFRINGE THE RIGHTS OF ANY THIRD PARTY. DISCLAIMER: THE INFORMATION IS NOT INTENDED TO BE A SUBSTITUTE FOR PROFESSIONAL MEDICAL ADVICE, DIAGNOSIS, OR TREATMENT, AND DOES NOT CONSTITUTE MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS AVAILABLE FOR ACADEMIC AND COMMERCIAL PURPOSES, UNDER CC-BY 4.0 LICENCE. ; ? ? # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Jumper, John' 1 'Evans, Richard' 2 'Pritzel, Alexander' 3 'Green, Tim' 4 'Figurnov, Michael' 5 'Ronneberger, Olaf' 6 'Tunyasuvunakool, Kathryn' 7 'Bates, Russ' 8 'Zidek, Augustin' 9 'Potapenko, Anna' 10 'Bridgland, Alex' 11 'Meyer, Clemens' 12 'Kohl, Simon A. A.' 13 'Ballard, Andrew J.' 14 'Cowie, Andrew' 15 'Romera-Paredes, Bernardino' 16 'Nikolov, Stanislav' 17 'Jain, Rishub' 18 'Adler, Jonas' 19 'Back, Trevor' 20 'Petersen, Stig' 21 'Reiman, David' 22 'Clancy, Ellen' 23 'Zielinski, Michal' 24 'Steinegger, Martin' 25 'Pacholska, Michalina' 26 'Berghammer, Tamas' 27 'Silver, David' 28 'Vinyals, Oriol' 29 'Senior, Andrew W.' 30 'Kavukcuoglu, Koray' 31 'Kohli, Pushmeet' 32 'Hassabis, Demis' 33 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Jumper, John' 1 primary 'Evans, Richard' 2 primary 'Pritzel, Alexander' 3 primary 'Green, Tim' 4 primary 'Figurnov, Michael' 5 primary 'Ronneberger, Olaf' 6 primary 'Tunyasuvunakool, Kathryn' 7 primary 'Bates, Russ' 8 primary 'Zidek, Augustin' 9 primary 'Potapenko, Anna' 10 primary 'Bridgland, Alex' 11 primary 'Meyer, Clemens' 12 primary 'Kohl, Simon A. A.' 13 primary 'Ballard, Andrew J.' 14 primary 'Cowie, Andrew' 15 primary 'Romera-Paredes, Bernardino' 16 primary 'Nikolov, Stanislav' 17 primary 'Jain, Rishub' 18 primary 'Adler, Jonas' 19 primary 'Back, Trevor' 20 primary 'Petersen, Stig' 21 primary 'Reiman, David' 22 primary 'Clancy, Ellen' 23 primary 'Zielinski, Michal' 24 primary 'Steinegger, Martin' 25 primary 'Pacholska, Michalina' 26 primary 'Berghammer, Tamas' 27 primary 'Silver, David' 28 primary 'Vinyals, Oriol' 29 primary 'Senior, Andrew W.' 30 primary 'Kavukcuoglu, Koray' 31 primary 'Kohli, Pushmeet' 32 primary 'Hassabis, Demis' 33 # _citation.id primary _citation.title 'Highly accurate protein structure prediction with AlphaFold' _citation.journal_full Nature _citation.journal_volume 596 _citation.page_first 583 _citation.page_last 589 _citation.year 2021 _citation.journal_id_ASTM NATUAS _citation.country UK _citation.journal_id_ISSN 0028-0836 _citation.journal_id_CSD 0006 _citation.book_publisher ? _citation.pdbx_database_id_PubMed 34265844 _citation.pdbx_database_id_DOI 10.1038/s41586-021-03819-2 # _ma_data.id 1 _ma_data.name Model _ma_data.content_type 'model coordinates' # _ma_target_entity_instance.asym_id A _ma_target_entity_instance.entity_id 0 _ma_target_entity_instance.details . # _ma_target_entity.entity_id 0 _ma_target_entity.data_id 1 _ma_target_entity.origin . # _ma_model_list.ordinal_id 1 _ma_model_list.model_id 1 _ma_model_list.model_group_id 1 _ma_model_list.model_name 'Top ranked model' _ma_model_list.model_group_name 'AlphaFold Monomer v2.3.2 model' _ma_model_list.data_id 1 _ma_model_list.model_type 'Ab initio model' # _software.pdbx_ordinal 1 _software.name AlphaFold _software.version v2.3.2 _software.type package _software.description 'Structure prediction' _software.classification other _software.date ? # _ma_software_group.ordinal_id 1 _ma_software_group.group_id 1 _ma_software_group.software_id 1 # loop_ _ma_protocol_step.ordinal_id _ma_protocol_step.protocol_id _ma_protocol_step.step_id _ma_protocol_step.method_type 1 1 1 'coevolution MSA' 2 1 2 'template search' 3 1 3 modeling # loop_ _ma_qa_metric.id _ma_qa_metric.name _ma_qa_metric.type _ma_qa_metric.mode _ma_qa_metric.software_group_id 1 pLDDT pLDDT global 1 2 pLDDT pLDDT local 1 # _ma_qa_metric_global.ordinal_id 1 _ma_qa_metric_global.model_id 1 _ma_qa_metric_global.metric_id 1 _ma_qa_metric_global.metric_value 49.12 # loop_ _atom_type.symbol C N O S #