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 LEU 0 3 TRP 0 4 ARG 0 5 LEU 0 6 PHE 0 7 SER 0 8 THR 0 9 GLU 0 10 SER 0 11 ILE 0 12 TYR 0 13 GLN 0 14 HIS 0 15 ARG 0 16 LEU 0 17 TRP 0 18 SER 0 19 LEU 0 20 LEU 0 21 SER 0 22 CYS 0 23 THR 0 24 ASN 0 25 ILE 0 26 THR 0 27 ASN 0 28 ARG 0 29 SER 0 30 LYS 0 31 LEU 0 32 GLY 0 33 HIS 0 34 HIS 0 35 TRP 0 36 LYS 0 37 PRO 0 38 GLY 0 39 CYS 0 40 THR 0 41 GLY 0 42 ARG 0 43 SER 0 44 LEU 0 45 ARG 0 46 PRO 0 47 ILE 0 48 MET 0 49 ARG 0 50 LEU 0 51 PHE 0 52 SER 0 53 ARG 0 54 ILE 0 55 HIS 0 56 SER 0 57 THR 0 58 THR 0 59 ARG 0 60 MET 0 61 ARG 0 62 ARG 0 63 SER 0 64 ASN 0 65 LEU 0 66 GLY 0 67 PRO 0 68 LEU 0 69 ALA 0 70 SER 0 71 PRO 0 72 VAL 0 73 ASN 0 74 ALA # 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 . -19.620 -12.916 21.675 1.00 52.40 1 A 1 ATOM 2 C CA . MET A 0 1 . -19.863 -12.400 20.303 1.00 52.40 1 A 1 ATOM 3 C C . MET A 0 1 . -18.841 -11.332 19.851 1.00 52.40 1 A 1 ATOM 4 C CB . MET A 0 1 . -21.311 -11.872 20.201 1.00 52.40 1 A 1 ATOM 5 O O . MET A 0 1 . -19.153 -10.530 18.985 1.00 52.40 1 A 1 ATOM 6 C CG . MET A 0 1 . -22.338 -12.987 19.996 1.00 52.40 1 A 1 ATOM 7 S SD . MET A 0 1 . -24.026 -12.348 20.077 1.00 52.40 1 A 1 ATOM 8 C CE . MET A 0 1 . -24.971 -13.733 19.388 1.00 52.40 1 A 1 ATOM 9 N N . LEU A 0 2 . -17.595 -11.327 20.352 1.00 46.33 2 A 1 ATOM 10 C CA . LEU A 0 2 . -16.589 -10.294 20.013 1.00 46.33 2 A 1 ATOM 11 C C . LEU A 0 2 . -15.734 -10.614 18.769 1.00 46.33 2 A 1 ATOM 12 C CB . LEU A 0 2 . -15.715 -10.051 21.257 1.00 46.33 2 A 1 ATOM 13 O O . LEU A 0 2 . -15.122 -9.727 18.186 1.00 46.33 2 A 1 ATOM 14 C CG . LEU A 0 2 . -16.413 -9.169 22.312 1.00 46.33 2 A 1 ATOM 15 C CD1 . LEU A 0 2 . -15.804 -9.396 23.691 1.00 46.33 2 A 1 ATOM 16 C CD2 . LEU A 0 2 . -16.292 -7.687 21.957 1.00 46.33 2 A 1 ATOM 17 N N . TRP A 0 3 . -15.747 -11.865 18.305 1.00 40.22 3 A 1 ATOM 18 C CA . TRP A 0 3 . -14.925 -12.330 17.180 1.00 40.22 3 A 1 ATOM 19 C C . TRP A 0 3 . -15.283 -11.693 15.828 1.00 40.22 3 A 1 ATOM 20 C CB . TRP A 0 3 . -15.030 -13.858 17.122 1.00 40.22 3 A 1 ATOM 21 O O . TRP A 0 3 . -14.433 -11.598 14.943 1.00 40.22 3 A 1 ATOM 22 C CG . TRP A 0 3 . -14.249 -14.567 18.187 1.00 40.22 3 A 1 ATOM 23 C CD1 . TRP A 0 3 . -14.579 -14.700 19.495 1.00 40.22 3 A 1 ATOM 24 C CD2 . TRP A 0 3 . -12.962 -15.241 18.034 1.00 40.22 3 A 1 ATOM 25 C CE2 . TRP A 0 3 . -12.565 -15.752 19.305 1.00 40.22 3 A 1 ATOM 26 C CE3 . TRP A 0 3 . -12.093 -15.471 16.946 1.00 40.22 3 A 1 ATOM 27 N NE1 . TRP A 0 3 . -13.583 -15.392 20.157 1.00 40.22 3 A 1 ATOM 28 C CH2 . TRP A 0 3 . -10.527 -16.672 18.389 1.00 40.22 3 A 1 ATOM 29 C CZ2 . TRP A 0 3 . -11.368 -16.456 19.493 1.00 40.22 3 A 1 ATOM 30 C CZ3 . TRP A 0 3 . -10.890 -16.182 17.122 1.00 40.22 3 A 1 ATOM 31 N N . ARG A 0 4 . -16.521 -11.203 15.661 1.00 41.11 4 A 1 ATOM 32 C CA . ARG A 0 4 . -16.939 -10.541 14.413 1.00 41.11 4 A 1 ATOM 33 C C . ARG A 0 4 . -16.325 -9.150 14.243 1.00 41.11 4 A 1 ATOM 34 C CB . ARG A 0 4 . -18.470 -10.500 14.276 1.00 41.11 4 A 1 ATOM 35 O O . ARG A 0 4 . -16.024 -8.783 13.115 1.00 41.11 4 A 1 ATOM 36 C CG . ARG A 0 4 . -19.069 -11.895 14.023 1.00 41.11 4 A 1 ATOM 37 C CD . ARG A 0 4 . -20.500 -11.775 13.477 1.00 41.11 4 A 1 ATOM 38 N NE . ARG A 0 4 . -21.157 -13.094 13.349 1.00 41.11 4 A 1 ATOM 39 N NH1 . ARG A 0 4 . -21.661 -13.063 11.097 1.00 41.11 4 A 1 ATOM 40 N NH2 . ARG A 0 4 . -22.323 -14.777 12.349 1.00 41.11 4 A 1 ATOM 41 C CZ . ARG A 0 4 . -21.705 -13.632 12.269 1.00 41.11 4 A 1 ATOM 42 N N . LEU A 0 5 . -16.077 -8.424 15.336 1.00 43.24 5 A 1 ATOM 43 C CA . LEU A 0 5 . -15.477 -7.085 15.282 1.00 43.24 5 A 1 ATOM 44 C C . LEU A 0 5 . -13.986 -7.145 14.925 1.00 43.24 5 A 1 ATOM 45 C CB . LEU A 0 5 . -15.727 -6.357 16.614 1.00 43.24 5 A 1 ATOM 46 O O . LEU A 0 5 . -13.520 -6.357 14.103 1.00 43.24 5 A 1 ATOM 47 C CG . LEU A 0 5 . -17.190 -5.907 16.800 1.00 43.24 5 A 1 ATOM 48 C CD1 . LEU A 0 5 . -17.420 -5.467 18.245 1.00 43.24 5 A 1 ATOM 49 C CD2 . LEU A 0 5 . -17.555 -4.740 15.879 1.00 43.24 5 A 1 ATOM 50 N N . PHE A 0 6 . -13.272 -8.147 15.448 1.00 44.68 6 A 1 ATOM 51 C CA . PHE A 0 6 . -11.852 -8.356 15.147 1.00 44.68 6 A 1 ATOM 52 C C . PHE A 0 6 . -11.613 -8.741 13.673 1.00 44.68 6 A 1 ATOM 53 C CB . PHE A 0 6 . -11.295 -9.408 16.119 1.00 44.68 6 A 1 ATOM 54 O O . PHE A 0 6 . -10.614 -8.351 13.071 1.00 44.68 6 A 1 ATOM 55 C CG . PHE A 0 6 . -9.840 -9.178 16.469 1.00 44.68 6 A 1 ATOM 56 C CD1 . PHE A 0 6 . -8.818 -9.851 15.775 1.00 44.68 6 A 1 ATOM 57 C CD2 . PHE A 0 6 . -9.509 -8.260 17.485 1.00 44.68 6 A 1 ATOM 58 C CE1 . PHE A 0 6 . -7.471 -9.613 16.102 1.00 44.68 6 A 1 ATOM 59 C CE2 . PHE A 0 6 . -8.162 -8.021 17.809 1.00 44.68 6 A 1 ATOM 60 C CZ . PHE A 0 6 . -7.143 -8.699 17.119 1.00 44.68 6 A 1 ATOM 61 N N . SER A 0 7 . -12.571 -9.438 13.048 1.00 47.48 7 A 1 ATOM 62 C CA . SER A 0 7 . -12.501 -9.777 11.618 1.00 47.48 7 A 1 ATOM 63 C C . SER A 0 7 . -12.747 -8.573 10.705 1.00 47.48 7 A 1 ATOM 64 C CB . SER A 0 7 . -13.496 -10.885 11.273 1.00 47.48 7 A 1 ATOM 65 O O . SER A 0 7 . -12.094 -8.447 9.672 1.00 47.48 7 A 1 ATOM 66 O OG . SER A 0 7 . -13.085 -12.104 11.852 1.00 47.48 7 A 1 ATOM 67 N N . THR A 0 8 . -13.644 -7.656 11.076 1.00 50.84 8 A 1 ATOM 68 C CA . THR A 0 8 . -13.858 -6.425 10.298 1.00 50.84 8 A 1 ATOM 69 C C . THR A 0 8 . -12.663 -5.478 10.368 1.00 50.84 8 A 1 ATOM 70 C CB . THR A 0 8 . -15.146 -5.694 10.705 1.00 50.84 8 A 1 ATOM 71 O O . THR A 0 8 . -12.270 -4.939 9.337 1.00 50.84 8 A 1 ATOM 72 C CG2 . THR A 0 8 . -16.331 -6.213 9.893 1.00 50.84 8 A 1 ATOM 73 O OG1 . THR A 0 8 . -15.472 -5.893 12.062 1.00 50.84 8 A 1 ATOM 74 N N . GLU A 0 9 . -12.030 -5.335 11.535 1.00 51.61 9 A 1 ATOM 75 C CA . GLU A 0 9 . -10.810 -4.528 11.712 1.00 51.61 9 A 1 ATOM 76 C C . GLU A 0 9 . -9.654 -5.047 10.838 1.00 51.61 9 A 1 ATOM 77 C CB . GLU A 0 9 . -10.420 -4.552 13.197 1.00 51.61 9 A 1 ATOM 78 O O . GLU A 0 9 . -8.943 -4.264 10.207 1.00 51.61 9 A 1 ATOM 79 C CG . GLU A 0 9 . -11.374 -3.731 14.082 1.00 51.61 9 A 1 ATOM 80 C CD . GLU A 0 9 . -10.797 -2.343 14.377 1.00 51.61 9 A 1 ATOM 81 O OE1 . GLU A 0 9 . -11.105 -1.411 13.599 1.00 51.61 9 A 1 ATOM 82 O OE2 . GLU A 0 9 . -10.023 -2.247 15.352 1.00 51.61 9 A 1 ATOM 83 N N . SER A 0 10 . -9.522 -6.370 10.700 1.00 52.60 10 A 1 ATOM 84 C CA . SER A 0 10 . -8.515 -7.000 9.835 1.00 52.60 10 A 1 ATOM 85 C C . SER A 0 10 . -8.703 -6.662 8.345 1.00 52.60 10 A 1 ATOM 86 C CB . SER A 0 10 . -8.558 -8.514 10.053 1.00 52.60 10 A 1 ATOM 87 O O . SER A 0 10 . -7.731 -6.387 7.638 1.00 52.60 10 A 1 ATOM 88 O OG . SER A 0 10 . -7.523 -9.145 9.330 1.00 52.60 10 A 1 ATOM 89 N N . ILE A 0 11 . -9.951 -6.580 7.867 1.00 57.34 11 A 1 ATOM 90 C CA . ILE A 0 11 . -10.256 -6.207 6.473 1.00 57.34 11 A 1 ATOM 91 C C . ILE A 0 11 . -9.863 -4.745 6.202 1.00 57.34 11 A 1 ATOM 92 C CB . ILE A 0 11 . -11.746 -6.482 6.156 1.00 57.34 11 A 1 ATOM 93 O O . ILE A 0 11 . -9.338 -4.429 5.126 1.00 57.34 11 A 1 ATOM 94 C CG1 . ILE A 0 11 . -12.051 -7.996 6.259 1.00 57.34 11 A 1 ATOM 95 C CG2 . ILE A 0 11 . -12.120 -5.975 4.747 1.00 57.34 11 A 1 ATOM 96 C CD1 . ILE A 0 11 . -13.548 -8.329 6.283 1.00 57.34 11 A 1 ATOM 97 N N . TYR A 0 12 . -10.057 -3.857 7.183 1.00 52.80 12 A 1 ATOM 98 C CA . TYR A 0 12 . -9.608 -2.467 7.084 1.00 52.80 12 A 1 ATOM 99 C C . TYR A 0 12 . -8.081 -2.358 7.119 1.00 52.80 12 A 1 ATOM 100 C CB . TYR A 0 12 . -10.269 -1.608 8.171 1.00 52.80 12 A 1 ATOM 101 O O . TYR A 0 12 . -7.518 -1.629 6.301 1.00 52.80 12 A 1 ATOM 102 C CG . TYR A 0 12 . -11.765 -1.448 7.977 1.00 52.80 12 A 1 ATOM 103 C CD1 . TYR A 0 12 . -12.260 -0.718 6.879 1.00 52.80 12 A 1 ATOM 104 C CD2 . TYR A 0 12 . -12.664 -2.029 8.888 1.00 52.80 12 A 1 ATOM 105 C CE1 . TYR A 0 12 . -13.649 -0.603 6.676 1.00 52.80 12 A 1 ATOM 106 C CE2 . TYR A 0 12 . -14.052 -1.939 8.680 1.00 52.80 12 A 1 ATOM 107 O OH . TYR A 0 12 . -15.884 -1.114 7.366 1.00 52.80 12 A 1 ATOM 108 C CZ . TYR A 0 12 . -14.546 -1.224 7.570 1.00 52.80 12 A 1 ATOM 109 N N . GLN A 0 13 . -7.406 -3.135 7.972 1.00 53.01 13 A 1 ATOM 110 C CA . GLN A 0 13 . -5.941 -3.182 8.058 1.00 53.01 13 A 1 ATOM 111 C C . GLN A 0 13 . -5.301 -3.679 6.748 1.00 53.01 13 A 1 ATOM 112 C CB . GLN A 0 13 . -5.534 -4.067 9.250 1.00 53.01 13 A 1 ATOM 113 O O . GLN A 0 13 . -4.347 -3.072 6.260 1.00 53.01 13 A 1 ATOM 114 C CG . GLN A 0 13 . -5.839 -3.423 10.617 1.00 53.01 13 A 1 ATOM 115 C CD . GLN A 0 13 . -4.843 -2.345 11.032 1.00 53.01 13 A 1 ATOM 116 N NE2 . GLN A 0 13 . -5.259 -1.368 11.806 1.00 53.01 13 A 1 ATOM 117 O OE1 . GLN A 0 13 . -3.678 -2.355 10.675 1.00 53.01 13 A 1 ATOM 118 N N . HIS A 0 14 . -5.866 -4.708 6.105 1.00 57.06 14 A 1 ATOM 119 C CA . HIS A 0 14 . -5.312 -5.270 4.865 1.00 57.06 14 A 1 ATOM 120 C C . HIS A 0 14 . -5.433 -4.303 3.667 1.00 57.06 14 A 1 ATOM 121 C CB . HIS A 0 14 . -5.990 -6.621 4.587 1.00 57.06 14 A 1 ATOM 122 O O . HIS A 0 14 . -4.524 -4.190 2.832 1.00 57.06 14 A 1 ATOM 123 C CG . HIS A 0 14 . -5.063 -7.613 3.936 1.00 57.06 14 A 1 ATOM 124 C CD2 . HIS A 0 14 . -4.174 -8.425 4.588 1.00 57.06 14 A 1 ATOM 125 N ND1 . HIS A 0 14 . -4.943 -7.880 2.590 1.00 57.06 14 A 1 ATOM 126 C CE1 . HIS A 0 14 . -4.006 -8.832 2.439 1.00 57.06 14 A 1 ATOM 127 N NE2 . HIS A 0 14 . -3.506 -9.188 3.628 1.00 57.06 14 A 1 ATOM 128 N N . ARG A 0 15 . -6.534 -3.536 3.601 1.00 57.06 15 A 1 ATOM 129 C CA . ARG A 0 15 . -6.700 -2.461 2.605 1.00 57.06 15 A 1 ATOM 130 C C . ARG A 0 15 . -5.827 -1.247 2.908 1.00 57.06 15 A 1 ATOM 131 C CB . ARG A 0 15 . -8.178 -2.053 2.476 1.00 57.06 15 A 1 ATOM 132 O O . ARG A 0 15 . -5.264 -0.679 1.971 1.00 57.06 15 A 1 ATOM 133 C CG . ARG A 0 15 . -8.835 -2.745 1.275 1.00 57.06 15 A 1 ATOM 134 C CD . ARG A 0 15 . -10.281 -2.268 1.105 1.00 57.06 15 A 1 ATOM 135 N NE . ARG A 0 15 . -10.923 -2.912 -0.060 1.00 57.06 15 A 1 ATOM 136 N NH1 . ARG A 0 15 . -11.540 -1.035 -1.244 1.00 57.06 15 A 1 ATOM 137 N NH2 . ARG A 0 15 . -12.035 -3.056 -2.040 1.00 57.06 15 A 1 ATOM 138 C CZ . ARG A 0 15 . -11.491 -2.331 -1.103 1.00 57.06 15 A 1 ATOM 139 N N . LEU A 0 16 . -5.679 -0.866 4.179 1.00 56.03 16 A 1 ATOM 140 C CA . LEU A 0 16 . -4.817 0.254 4.563 1.00 56.03 16 A 1 ATOM 141 C C . LEU A 0 16 . -3.349 -0.040 4.255 1.00 56.03 16 A 1 ATOM 142 C CB . LEU A 0 16 . -4.973 0.613 6.055 1.00 56.03 16 A 1 ATOM 143 O O . LEU A 0 16 . -2.675 0.824 3.705 1.00 56.03 16 A 1 ATOM 144 C CG . LEU A 0 16 . -5.381 2.082 6.262 1.00 56.03 16 A 1 ATOM 145 C CD1 . LEU A 0 16 . -6.902 2.211 6.362 1.00 56.03 16 A 1 ATOM 146 C CD2 . LEU A 0 16 . -4.747 2.643 7.530 1.00 56.03 16 A 1 ATOM 147 N N . TRP A 0 17 . -2.875 -1.256 4.537 1.00 55.24 17 A 1 ATOM 148 C CA . TRP A 0 17 . -1.494 -1.664 4.268 1.00 55.24 17 A 1 ATOM 149 C C . TRP A 0 17 . -1.160 -1.624 2.773 1.00 55.24 17 A 1 ATOM 150 C CB . TRP A 0 17 . -1.270 -3.073 4.823 1.00 55.24 17 A 1 ATOM 151 O O . TRP A 0 17 . -0.087 -1.168 2.371 1.00 55.24 17 A 1 ATOM 152 C CG . TRP A 0 17 . 0.171 -3.459 4.885 1.00 55.24 17 A 1 ATOM 153 C CD1 . TRP A 0 17 . 0.917 -3.943 3.866 1.00 55.24 17 A 1 ATOM 154 C CD2 . TRP A 0 17 . 1.068 -3.368 6.032 1.00 55.24 17 A 1 ATOM 155 C CE2 . TRP A 0 17 . 2.361 -3.813 5.628 1.00 55.24 17 A 1 ATOM 156 C CE3 . TRP A 0 17 . 0.914 -2.957 7.374 1.00 55.24 17 A 1 ATOM 157 N NE1 . TRP A 0 17 . 2.212 -4.147 4.299 1.00 55.24 17 A 1 ATOM 158 C CH2 . TRP A 0 17 . 3.264 -3.442 7.840 1.00 55.24 17 A 1 ATOM 159 C CZ2 . TRP A 0 17 . 3.451 -3.853 6.509 1.00 55.24 17 A 1 ATOM 160 C CZ3 . TRP A 0 17 . 2.001 -2.996 8.268 1.00 55.24 17 A 1 ATOM 161 N N . SER A 0 18 . -2.112 -2.033 1.932 1.00 60.08 18 A 1 ATOM 162 C CA . SER A 0 18 . -1.972 -2.007 0.470 1.00 60.08 18 A 1 ATOM 163 C C . SER A 0 18 . -1.899 -0.576 -0.080 1.00 60.08 18 A 1 ATOM 164 C CB . SER A 0 18 . -3.144 -2.758 -0.166 1.00 60.08 18 A 1 ATOM 165 O O . SER A 0 18 . -1.144 -0.296 -1.013 1.00 60.08 18 A 1 ATOM 166 O OG . SER A 0 18 . -3.198 -4.097 0.293 1.00 60.08 18 A 1 ATOM 167 N N . LEU A 0 19 . -2.635 0.355 0.537 1.00 57.49 19 A 1 ATOM 168 C CA . LEU A 0 19 . -2.586 1.778 0.203 1.00 57.49 19 A 1 ATOM 169 C C . LEU A 0 19 . -1.311 2.442 0.744 1.00 57.49 19 A 1 ATOM 170 C CB . LEU A 0 19 . -3.865 2.464 0.713 1.00 57.49 19 A 1 ATOM 171 O O . LEU A 0 19 . -0.650 3.149 -0.008 1.00 57.49 19 A 1 ATOM 172 C CG . LEU A 0 19 . -5.141 2.043 -0.043 1.00 57.49 19 A 1 ATOM 173 C CD1 . LEU A 0 19 . -6.373 2.566 0.696 1.00 57.49 19 A 1 ATOM 174 C CD2 . LEU A 0 19 . -5.175 2.591 -1.473 1.00 57.49 19 A 1 ATOM 175 N N . LEU A 0 20 . -0.902 2.149 1.985 1.00 58.26 20 A 1 ATOM 176 C CA . LEU A 0 20 . 0.356 2.629 2.575 1.00 58.26 20 A 1 ATOM 177 C C . LEU A 0 20 . 1.576 2.148 1.790 1.00 58.26 20 A 1 ATOM 178 C CB . LEU A 0 20 . 0.485 2.164 4.043 1.00 58.26 20 A 1 ATOM 179 O O . LEU A 0 20 . 2.533 2.899 1.633 1.00 58.26 20 A 1 ATOM 180 C CG . LEU A 0 20 . 0.511 3.333 5.038 1.00 58.26 20 A 1 ATOM 181 C CD1 . LEU A 0 20 . -0.880 3.948 5.203 1.00 58.26 20 A 1 ATOM 182 C CD2 . LEU A 0 20 . 1.002 2.849 6.400 1.00 58.26 20 A 1 ATOM 183 N N . SER A 0 21 . 1.525 0.931 1.251 1.00 56.88 21 A 1 ATOM 184 C CA . SER A 0 21 . 2.577 0.401 0.383 1.00 56.88 21 A 1 ATOM 185 C C . SER A 0 21 . 2.707 1.212 -0.908 1.00 56.88 21 A 1 ATOM 186 C CB . SER A 0 21 . 2.308 -1.070 0.057 1.00 56.88 21 A 1 ATOM 187 O O . SER A 0 21 . 3.803 1.334 -1.436 1.00 56.88 21 A 1 ATOM 188 O OG . SER A 0 21 . 2.328 -1.847 1.238 1.00 56.88 21 A 1 ATOM 189 N N . CYS A 0 22 . 1.631 1.836 -1.395 1.00 52.10 22 A 1 ATOM 190 C CA . CYS A 0 22 . 1.701 2.748 -2.537 1.00 52.10 22 A 1 ATOM 191 C C . CYS A 0 22 . 2.158 4.159 -2.125 1.00 52.10 22 A 1 ATOM 192 C CB . CYS A 0 22 . 0.347 2.762 -3.256 1.00 52.10 22 A 1 ATOM 193 O O . CYS A 0 22 . 2.942 4.773 -2.844 1.00 52.10 22 A 1 ATOM 194 S SG . CYS A 0 22 . 0.009 1.124 -3.968 1.00 52.10 22 A 1 ATOM 195 N N . THR A 0 23 . 1.732 4.659 -0.959 1.00 55.32 23 A 1 ATOM 196 C CA . THR A 0 23 . 2.032 6.029 -0.501 1.00 55.32 23 A 1 ATOM 197 C C . THR A 0 23 . 3.437 6.177 0.095 1.00 55.32 23 A 1 ATOM 198 C CB . THR A 0 23 . 0.993 6.530 0.520 1.00 55.32 23 A 1 ATOM 199 O O . THR A 0 23 . 4.080 7.204 -0.115 1.00 55.32 23 A 1 ATOM 200 C CG2 . THR A 0 23 . 0.754 8.032 0.391 1.00 55.32 23 A 1 ATOM 201 O OG1 . THR A 0 23 . -0.266 5.940 0.324 1.00 55.32 23 A 1 ATOM 202 N N . ASN A 0 24 . 3.958 5.151 0.775 1.00 57.09 24 A 1 ATOM 203 C CA . ASN A 0 24 . 5.295 5.152 1.385 1.00 57.09 24 A 1 ATOM 204 C C . ASN A 0 24 . 6.416 4.898 0.349 1.00 57.09 24 A 1 ATOM 205 C CB . ASN A 0 24 . 5.292 4.140 2.551 1.00 57.09 24 A 1 ATOM 206 O O . ASN A 0 24 . 7.583 5.194 0.589 1.00 57.09 24 A 1 ATOM 207 C CG . ASN A 0 24 . 6.302 4.450 3.643 1.00 57.09 24 A 1 ATOM 208 N ND2 . ASN A 0 24 . 6.369 3.628 4.664 1.00 57.09 24 A 1 ATOM 209 O OD1 . ASN A 0 24 . 7.002 5.444 3.633 1.00 57.09 24 A 1 ATOM 210 N N . ILE A 0 25 . 6.064 4.416 -0.851 1.00 52.65 25 A 1 ATOM 211 C CA . ILE A 0 25 . 6.991 4.302 -1.991 1.00 52.65 25 A 1 ATOM 212 C C . ILE A 0 25 . 7.113 5.635 -2.758 1.00 52.65 25 A 1 ATOM 213 C CB . ILE A 0 25 . 6.605 3.086 -2.872 1.00 52.65 25 A 1 ATOM 214 O O . ILE A 0 25 . 8.114 5.862 -3.435 1.00 52.65 25 A 1 ATOM 215 C CG1 . ILE A 0 25 . 6.790 1.783 -2.056 1.00 52.65 25 A 1 ATOM 216 C CG2 . ILE A 0 25 . 7.454 3.004 -4.156 1.00 52.65 25 A 1 ATOM 217 C CD1 . ILE A 0 25 . 6.355 0.504 -2.791 1.00 52.65 25 A 1 ATOM 218 N N . THR A 0 26 . 6.180 6.579 -2.583 1.00 51.32 26 A 1 ATOM 219 C CA . THR A 0 26 . 6.219 7.894 -3.258 1.00 51.32 26 A 1 ATOM 220 C C . THR A 0 26 . 7.424 8.756 -2.854 1.00 51.32 26 A 1 ATOM 221 C CB . THR A 0 26 . 4.926 8.709 -3.051 1.00 51.32 26 A 1 ATOM 222 O O . THR A 0 26 . 7.837 9.614 -3.632 1.00 51.32 26 A 1 ATOM 223 C CG2 . THR A 0 26 . 4.538 9.480 -4.311 1.00 51.32 26 A 1 ATOM 224 O OG1 . THR A 0 26 . 3.828 7.890 -2.737 1.00 51.32 26 A 1 ATOM 225 N N . ASN A 0 27 . 8.058 8.491 -1.703 1.00 51.33 27 A 1 ATOM 226 C CA . ASN A 0 27 . 9.283 9.184 -1.273 1.00 51.33 27 A 1 ATOM 227 C C . ASN A 0 27 . 10.587 8.490 -1.743 1.00 51.33 27 A 1 ATOM 228 C CB . ASN A 0 27 . 9.209 9.436 0.247 1.00 51.33 27 A 1 ATOM 229 O O . ASN A 0 27 . 11.688 8.951 -1.456 1.00 51.33 27 A 1 ATOM 230 C CG . ASN A 0 27 . 9.869 10.741 0.674 1.00 51.33 27 A 1 ATOM 231 N ND2 . ASN A 0 27 . 9.853 11.042 1.951 1.00 51.33 27 A 1 ATOM 232 O OD1 . ASN A 0 27 . 10.358 11.529 -0.115 1.00 51.33 27 A 1 ATOM 233 N N . ARG A 0 28 . 10.476 7.391 -2.513 1.00 49.11 28 A 1 ATOM 234 C CA . ARG A 0 28 . 11.585 6.722 -3.226 1.00 49.11 28 A 1 ATOM 235 C C . ARG A 0 28 . 11.649 7.076 -4.717 1.00 49.11 28 A 1 ATOM 236 C CB . ARG A 0 28 . 11.538 5.196 -2.989 1.00 49.11 28 A 1 ATOM 237 O O . ARG A 0 28 . 12.493 6.535 -5.425 1.00 49.11 28 A 1 ATOM 238 C CG . ARG A 0 28 . 12.559 4.752 -1.932 1.00 49.11 28 A 1 ATOM 239 C CD . ARG A 0 28 . 12.523 3.227 -1.774 1.00 49.11 28 A 1 ATOM 240 N NE . ARG A 0 28 . 13.454 2.762 -0.728 1.00 49.11 28 A 1 ATOM 241 N NH1 . ARG A 0 28 . 12.895 0.535 -0.797 1.00 49.11 28 A 1 ATOM 242 N NH2 . ARG A 0 28 . 14.434 1.234 0.654 1.00 49.11 28 A 1 ATOM 243 C CZ . ARG A 0 28 . 13.590 1.519 -0.297 1.00 49.11 28 A 1 ATOM 244 N N . SER A 0 29 . 10.840 8.033 -5.182 1.00 49.80 29 A 1 ATOM 245 C CA . SER A 0 29 . 10.755 8.508 -6.580 1.00 49.80 29 A 1 ATOM 246 C C . SER A 0 29 . 12.031 9.182 -7.132 1.00 49.80 29 A 1 ATOM 247 C CB . SER A 0 29 . 9.538 9.430 -6.757 1.00 49.80 29 A 1 ATOM 248 O O . SER A 0 29 . 11.991 9.795 -8.193 1.00 49.80 29 A 1 ATOM 249 O OG . SER A 0 29 . 8.368 8.827 -6.232 1.00 49.80 29 A 1 ATOM 250 N N . LYS A 0 30 . 13.178 9.041 -6.450 1.00 49.40 30 A 1 ATOM 251 C CA . LYS A 0 30 . 14.527 9.208 -7.023 1.00 49.40 30 A 1 ATOM 252 C C . LYS A 0 30 . 15.038 7.955 -7.755 1.00 49.40 30 A 1 ATOM 253 C CB . LYS A 0 30 . 15.520 9.660 -5.932 1.00 49.40 30 A 1 ATOM 254 O O . LYS A 0 30 . 16.096 8.012 -8.370 1.00 49.40 30 A 1 ATOM 255 C CG . LYS A 0 30 . 15.690 11.186 -5.925 1.00 49.40 30 A 1 ATOM 256 C CD . LYS A 0 30 . 16.734 11.625 -4.887 1.00 49.40 30 A 1 ATOM 257 C CE . LYS A 0 30 . 16.963 13.140 -4.978 1.00 49.40 30 A 1 ATOM 258 N NZ . LYS A 0 30 . 17.941 13.616 -3.965 1.00 49.40 30 A 1 ATOM 259 N N . LEU A 0 31 . 14.314 6.836 -7.711 1.00 48.22 31 A 1 ATOM 260 C CA . LEU A 0 31 . 14.630 5.625 -8.471 1.00 48.22 31 A 1 ATOM 261 C C . LEU A 0 31 . 13.850 5.655 -9.789 1.00 48.22 31 A 1 ATOM 262 C CB . LEU A 0 31 . 14.357 4.393 -7.594 1.00 48.22 31 A 1 ATOM 263 O O . LEU A 0 31 . 12.633 5.476 -9.816 1.00 48.22 31 A 1 ATOM 264 C CG . LEU A 0 31 . 15.378 4.256 -6.444 1.00 48.22 31 A 1 ATOM 265 C CD1 . LEU A 0 31 . 14.836 3.324 -5.361 1.00 48.22 31 A 1 ATOM 266 C CD2 . LEU A 0 31 . 16.717 3.698 -6.934 1.00 48.22 31 A 1 ATOM 267 N N . GLY A 0 32 . 14.573 5.991 -10.857 1.00 43.64 32 A 1 ATOM 268 C CA . GLY A 0 32 . 14.058 6.316 -12.181 1.00 43.64 32 A 1 ATOM 269 C C . GLY A 0 32 . 13.104 5.293 -12.798 1.00 43.64 32 A 1 ATOM 270 O O . GLY A 0 32 . 13.217 4.093 -12.587 1.00 43.64 32 A 1 ATOM 271 N N . HIS A 0 33 . 12.157 5.841 -13.561 1.00 48.10 33 A 1 ATOM 272 C CA . HIS A 0 33 . 11.528 5.376 -14.809 1.00 48.10 33 A 1 ATOM 273 C C . HIS A 0 33 . 11.324 3.876 -15.119 1.00 48.10 33 A 1 ATOM 274 C CB . HIS A 0 33 . 12.181 6.147 -15.973 1.00 48.10 33 A 1 ATOM 275 O O . HIS A 0 33 . 11.041 3.562 -16.270 1.00 48.10 33 A 1 ATOM 276 C CG . HIS A 0 33 . 12.086 7.647 -15.809 1.00 48.10 33 A 1 ATOM 277 C CD2 . HIS A 0 33 . 13.046 8.569 -16.127 1.00 48.10 33 A 1 ATOM 278 N ND1 . HIS A 0 33 . 11.009 8.345 -15.300 1.00 48.10 33 A 1 ATOM 279 C CE1 . HIS A 0 33 . 11.318 9.651 -15.304 1.00 48.10 33 A 1 ATOM 280 N NE2 . HIS A 0 33 . 12.551 9.832 -15.790 1.00 48.10 33 A 1 ATOM 281 N N . HIS A 0 34 . 11.344 2.966 -14.140 1.00 50.12 34 A 1 ATOM 282 C CA . HIS A 0 34 . 11.213 1.517 -14.345 1.00 50.12 34 A 1 ATOM 283 C C . HIS A 0 34 . 10.228 0.844 -13.360 1.00 50.12 34 A 1 ATOM 284 C CB . HIS A 0 34 . 12.592 0.868 -14.479 1.00 50.12 34 A 1 ATOM 285 O O . HIS A 0 34 . 10.585 0.083 -12.476 1.00 50.12 34 A 1 ATOM 286 C CG . HIS A 0 34 . 13.261 1.266 -15.780 1.00 50.12 34 A 1 ATOM 287 C CD2 . HIS A 0 34 . 14.301 2.143 -15.924 1.00 50.12 34 A 1 ATOM 288 N ND1 . HIS A 0 34 . 12.884 0.881 -17.052 1.00 50.12 34 A 1 ATOM 289 C CE1 . HIS A 0 34 . 13.687 1.503 -17.932 1.00 50.12 34 A 1 ATOM 290 N NE2 . HIS A 0 34 . 14.563 2.289 -17.289 1.00 50.12 34 A 1 ATOM 291 N N . TRP A 0 35 . 8.947 1.177 -13.522 1.00 49.65 35 A 1 ATOM 292 C CA . TRP A 0 35 . 7.840 0.225 -13.702 1.00 49.65 35 A 1 ATOM 293 C C . TRP A 0 35 . 7.560 -0.745 -12.530 1.00 49.65 35 A 1 ATOM 294 C CB . TRP A 0 35 . 7.994 -0.522 -15.054 1.00 49.65 35 A 1 ATOM 295 O O . TRP A 0 35 . 8.100 -1.842 -12.448 1.00 49.65 35 A 1 ATOM 296 C CG . TRP A 0 35 . 8.409 0.239 -16.297 1.00 49.65 35 A 1 ATOM 297 C CD1 . TRP A 0 35 . 8.740 1.549 -16.409 1.00 49.65 35 A 1 ATOM 298 C CD2 . TRP A 0 35 . 8.505 -0.255 -17.675 1.00 49.65 35 A 1 ATOM 299 C CE2 . TRP A 0 35 . 9.098 0.759 -18.488 1.00 49.65 35 A 1 ATOM 300 C CE3 . TRP A 0 35 . 8.107 -1.435 -18.338 1.00 49.65 35 A 1 ATOM 301 N NE1 . TRP A 0 35 . 9.310 1.796 -17.630 1.00 49.65 35 A 1 ATOM 302 C CH2 . TRP A 0 35 . 8.887 -0.557 -20.489 1.00 49.65 35 A 1 ATOM 303 C CZ2 . TRP A 0 35 . 9.319 0.619 -19.861 1.00 49.65 35 A 1 ATOM 304 C CZ3 . TRP A 0 35 . 8.278 -1.573 -19.730 1.00 49.65 35 A 1 ATOM 305 N N . LYS A 0 36 . 6.551 -0.415 -11.708 1.00 44.53 36 A 1 ATOM 306 C CA . LYS A 0 36 . 5.619 -1.431 -11.188 1.00 44.53 36 A 1 ATOM 307 C C . LYS A 0 36 . 4.274 -1.271 -11.915 1.00 44.53 36 A 1 ATOM 308 C CB . LYS A 0 36 . 5.459 -1.387 -9.657 1.00 44.53 36 A 1 ATOM 309 O O . LYS A 0 36 . 3.626 -0.240 -11.722 1.00 44.53 36 A 1 ATOM 310 C CG . LYS A 0 36 . 6.527 -2.231 -8.933 1.00 44.53 36 A 1 ATOM 311 C CD . LYS A 0 36 . 6.028 -2.708 -7.558 1.00 44.53 36 A 1 ATOM 312 C CE . LYS A 0 36 . 7.069 -3.630 -6.906 1.00 44.53 36 A 1 ATOM 313 N NZ . LYS A 0 36 . 6.543 -4.292 -5.683 1.00 44.53 36 A 1 ATOM 314 N N . PRO A 0 37 . 3.822 -2.258 -12.712 1.00 52.62 37 A 1 ATOM 315 C CA . PRO A 0 37 . 2.670 -2.155 -13.623 1.00 52.62 37 A 1 ATOM 316 C C . PRO A 0 37 . 1.287 -2.091 -12.936 1.00 52.62 37 A 1 ATOM 317 C CB . PRO A 0 37 . 2.819 -3.342 -14.588 1.00 52.62 37 A 1 ATOM 318 O O . PRO A 0 37 . 0.267 -2.325 -13.572 1.00 52.62 37 A 1 ATOM 319 C CG . PRO A 0 37 . 3.562 -4.388 -13.764 1.00 52.62 37 A 1 ATOM 320 C CD . PRO A 0 37 . 4.481 -3.546 -12.890 1.00 52.62 37 A 1 ATOM 321 N N . GLY A 0 38 . 1.228 -1.761 -11.643 1.00 53.52 38 A 1 ATOM 322 C CA . GLY A 0 38 . -0.018 -1.617 -10.877 1.00 53.52 38 A 1 ATOM 323 C C . GLY A 0 38 . -0.276 -0.204 -10.349 1.00 53.52 38 A 1 ATOM 324 O O . GLY A 0 38 . -1.401 0.108 -9.972 1.00 53.52 38 A 1 ATOM 325 N N . CYS A 0 39 . 0.732 0.674 -10.364 1.00 45.53 39 A 1 ATOM 326 C CA . CYS A 0 39 . 0.611 2.075 -9.950 1.00 45.53 39 A 1 ATOM 327 C C . CYS A 0 39 . 0.473 2.993 -11.171 1.00 45.53 39 A 1 ATOM 328 C CB . CYS A 0 39 . 1.771 2.466 -9.022 1.00 45.53 39 A 1 ATOM 329 O O . CYS A 0 39 . 1.129 4.026 -11.279 1.00 45.53 39 A 1 ATOM 330 S SG . CYS A 0 39 . 1.555 1.667 -7.407 1.00 45.53 39 A 1 ATOM 331 N N . THR A 0 40 . -0.357 2.610 -12.138 1.00 48.50 40 A 1 ATOM 332 C CA . THR A 0 40 . -0.622 3.453 -13.304 1.00 48.50 40 A 1 ATOM 333 C C . THR A 0 40 . -1.532 4.586 -12.846 1.00 48.50 40 A 1 ATOM 334 C CB . THR A 0 40 . -1.210 2.650 -14.475 1.00 48.50 40 A 1 ATOM 335 O O . THR A 0 40 . -2.665 4.350 -12.426 1.00 48.50 40 A 1 ATOM 336 C CG2 . THR A 0 40 . -0.987 3.370 -15.805 1.00 48.50 40 A 1 ATOM 337 O OG1 . THR A 0 40 . -0.543 1.415 -14.559 1.00 48.50 40 A 1 ATOM 338 N N . GLY A 0 41 . -1.019 5.820 -12.892 1.00 53.87 41 A 1 ATOM 339 C CA . GLY A 0 41 . -1.605 7.069 -12.380 1.00 53.87 41 A 1 ATOM 340 C C . GLY A 0 41 . -2.965 7.506 -12.952 1.00 53.87 41 A 1 ATOM 341 O O . GLY A 0 41 . -3.242 8.700 -13.037 1.00 53.87 41 A 1 ATOM 342 N N . ARG A 0 42 . -3.841 6.568 -13.320 1.00 48.79 42 A 1 ATOM 343 C CA . ARG A 0 42 . -5.242 6.793 -13.692 1.00 48.79 42 A 1 ATOM 344 C C . ARG A 0 42 . -6.215 6.600 -12.517 1.00 48.79 42 A 1 ATOM 345 C CB . ARG A 0 42 . -5.595 5.945 -14.929 1.00 48.79 42 A 1 ATOM 346 O O . ARG A 0 42 . -7.238 7.274 -12.502 1.00 48.79 42 A 1 ATOM 347 C CG . ARG A 0 42 . -4.813 6.411 -16.173 1.00 48.79 42 A 1 ATOM 348 C CD . ARG A 0 42 . -5.249 5.672 -17.446 1.00 48.79 42 A 1 ATOM 349 N NE . ARG A 0 42 . -4.403 6.037 -18.603 1.00 48.79 42 A 1 ATOM 350 N NH1 . ARG A 0 42 . -5.870 5.482 -20.291 1.00 48.79 42 A 1 ATOM 351 N NH2 . ARG A 0 42 . -3.845 6.246 -20.806 1.00 48.79 42 A 1 ATOM 352 C CZ . ARG A 0 42 . -4.711 5.921 -19.886 1.00 48.79 42 A 1 ATOM 353 N N . SER A 0 43 . -5.865 5.829 -11.478 1.00 49.83 43 A 1 ATOM 354 C CA . SER A 0 43 . -6.700 5.691 -10.258 1.00 49.83 43 A 1 ATOM 355 C C . SER A 0 43 . -6.460 6.756 -9.180 1.00 49.83 43 A 1 ATOM 356 C CB . SER A 0 43 . -6.575 4.290 -9.648 1.00 49.83 43 A 1 ATOM 357 O O . SER A 0 43 . -7.238 6.868 -8.237 1.00 49.83 43 A 1 ATOM 358 O OG . SER A 0 43 . -7.441 3.428 -10.350 1.00 49.83 43 A 1 ATOM 359 N N . LEU A 0 44 . -5.428 7.592 -9.318 1.00 49.62 44 A 1 ATOM 360 C CA . LEU A 0 44 . -5.106 8.637 -8.335 1.00 49.62 44 A 1 ATOM 361 C C . LEU A 0 44 . -6.046 9.853 -8.393 1.00 49.62 44 A 1 ATOM 362 C CB . LEU A 0 44 . -3.633 9.040 -8.528 1.00 49.62 44 A 1 ATOM 363 O O . LEU A 0 44 . -6.248 10.524 -7.382 1.00 49.62 44 A 1 ATOM 364 C CG . LEU A 0 44 . -2.681 8.254 -7.609 1.00 49.62 44 A 1 ATOM 365 C CD1 . LEU A 0 44 . -1.260 8.300 -8.163 1.00 49.62 44 A 1 ATOM 366 C CD2 . LEU A 0 44 . -2.674 8.841 -6.195 1.00 49.62 44 A 1 ATOM 367 N N . ARG A 0 45 . -6.661 10.133 -9.549 1.00 56.42 45 A 1 ATOM 368 C CA . ARG A 0 45 . -7.579 11.277 -9.713 1.00 56.42 45 A 1 ATOM 369 C C . ARG A 0 45 . -8.843 11.181 -8.839 1.00 56.42 45 A 1 ATOM 370 C CB . ARG A 0 45 . -7.924 11.503 -11.195 1.00 56.42 45 A 1 ATOM 371 O O . ARG A 0 45 . -9.154 12.173 -8.179 1.00 56.42 45 A 1 ATOM 372 C CG . ARG A 0 45 . -6.716 12.008 -12.000 1.00 56.42 45 A 1 ATOM 373 C CD . ARG A 0 45 . -7.132 12.366 -13.433 1.00 56.42 45 A 1 ATOM 374 N NE . ARG A 0 45 . -5.963 12.751 -14.250 1.00 56.42 45 A 1 ATOM 375 N NH1 . ARG A 0 45 . -6.482 14.960 -14.681 1.00 56.42 45 A 1 ATOM 376 N NH2 . ARG A 0 45 . -4.635 14.075 -15.541 1.00 56.42 45 A 1 ATOM 377 C CZ . ARG A 0 45 . -5.705 13.921 -14.814 1.00 56.42 45 A 1 ATOM 378 N N . PRO A 0 46 . -9.569 10.046 -8.781 1.00 56.61 46 A 1 ATOM 379 C CA . PRO A 0 46 . -10.723 9.931 -7.890 1.00 56.61 46 A 1 ATOM 380 C C . PRO A 0 46 . -10.321 9.861 -6.408 1.00 56.61 46 A 1 ATOM 381 C CB . PRO A 0 46 . -11.492 8.693 -8.362 1.00 56.61 46 A 1 ATOM 382 O O . PRO A 0 46 . -11.022 10.425 -5.572 1.00 56.61 46 A 1 ATOM 383 C CG . PRO A 0 46 . -10.435 7.844 -9.065 1.00 56.61 46 A 1 ATOM 384 C CD . PRO A 0 46 . -9.492 8.884 -9.659 1.00 56.61 46 A 1 ATOM 385 N N . ILE A 0 47 . -9.174 9.254 -6.078 1.00 57.93 47 A 1 ATOM 386 C CA . ILE A 0 47 . -8.706 9.103 -4.689 1.00 57.93 47 A 1 ATOM 387 C C . ILE A 0 47 . -8.298 10.451 -4.084 1.00 57.93 47 A 1 ATOM 388 C CB . ILE A 0 47 . -7.573 8.052 -4.608 1.00 57.93 47 A 1 ATOM 389 O O . ILE A 0 47 . -8.703 10.754 -2.964 1.00 57.93 47 A 1 ATOM 390 C CG1 . ILE A 0 47 . -8.121 6.662 -5.015 1.00 57.93 47 A 1 ATOM 391 C CG2 . ILE A 0 47 . -6.967 7.990 -3.192 1.00 57.93 47 A 1 ATOM 392 C CD1 . ILE A 0 47 . -7.038 5.589 -5.181 1.00 57.93 47 A 1 ATOM 393 N N . MET A 0 48 . -7.582 11.304 -4.827 1.00 59.76 48 A 1 ATOM 394 C CA . MET A 0 48 . -7.252 12.657 -4.356 1.00 59.76 48 A 1 ATOM 395 C C . MET A 0 48 . -8.511 13.499 -4.104 1.00 59.76 48 A 1 ATOM 396 C CB . MET A 0 48 . -6.329 13.365 -5.357 1.00 59.76 48 A 1 ATOM 397 O O . MET A 0 48 . -8.597 14.185 -3.087 1.00 59.76 48 A 1 ATOM 398 C CG . MET A 0 48 . -4.884 12.868 -5.263 1.00 59.76 48 A 1 ATOM 399 S SD . MET A 0 48 . -3.728 13.885 -6.219 1.00 59.76 48 A 1 ATOM 400 C CE . MET A 0 48 . -3.690 12.994 -7.789 1.00 59.76 48 A 1 ATOM 401 N N . ARG A 0 49 . -9.532 13.390 -4.971 1.00 60.92 49 A 1 ATOM 402 C CA . ARG A 0 49 . -10.827 14.063 -4.756 1.00 60.92 49 A 1 ATOM 403 C C . ARG A 0 49 . -11.549 13.541 -3.517 1.00 60.92 49 A 1 ATOM 404 C CB . ARG A 0 49 . -11.732 13.919 -5.986 1.00 60.92 49 A 1 ATOM 405 O O . ARG A 0 49 . -12.155 14.334 -2.800 1.00 60.92 49 A 1 ATOM 406 C CG . ARG A 0 49 . -11.276 14.805 -7.151 1.00 60.92 49 A 1 ATOM 407 C CD . ARG A 0 49 . -12.287 14.692 -8.297 1.00 60.92 49 A 1 ATOM 408 N NE . ARG A 0 49 . -11.892 15.506 -9.460 1.00 60.92 49 A 1 ATOM 409 N NH1 . ARG A 0 49 . -13.713 15.033 -10.785 1.00 60.92 49 A 1 ATOM 410 N NH2 . ARG A 0 49 . -12.115 16.381 -11.553 1.00 60.92 49 A 1 ATOM 411 C CZ . ARG A 0 49 . -12.571 15.634 -10.588 1.00 60.92 49 A 1 ATOM 412 N N . LEU A 0 50 . -11.468 12.236 -3.255 1.00 59.11 50 A 1 ATOM 413 C CA . LEU A 0 50 . -12.024 11.643 -2.043 1.00 59.11 50 A 1 ATOM 414 C C . LEU A 0 50 . -11.299 12.165 -0.796 1.00 59.11 50 A 1 ATOM 415 C CB . LEU A 0 50 . -11.968 10.104 -2.123 1.00 59.11 50 A 1 ATOM 416 O O . LEU A 0 50 . -11.958 12.576 0.151 1.00 59.11 50 A 1 ATOM 417 C CG . LEU A 0 50 . -13.303 9.465 -1.701 1.00 59.11 50 A 1 ATOM 418 C CD1 . LEU A 0 50 . -14.275 9.428 -2.884 1.00 59.11 50 A 1 ATOM 419 C CD2 . LEU A 0 50 . -13.083 8.039 -1.207 1.00 59.11 50 A 1 ATOM 420 N N . PHE A 0 51 . -9.966 12.238 -0.819 1.00 59.39 51 A 1 ATOM 421 C CA . PHE A 0 51 . -9.167 12.756 0.295 1.00 59.39 51 A 1 ATOM 422 C C . PHE A 0 51 . -9.448 14.232 0.592 1.00 59.39 51 A 1 ATOM 423 C CB . PHE A 0 51 . -7.673 12.517 0.037 1.00 59.39 51 A 1 ATOM 424 O O . PHE A 0 51 . -9.628 14.581 1.756 1.00 59.39 51 A 1 ATOM 425 C CG . PHE A 0 51 . -7.150 11.287 0.748 1.00 59.39 51 A 1 ATOM 426 C CD1 . PHE A 0 51 . -6.680 11.394 2.071 1.00 59.39 51 A 1 ATOM 427 C CD2 . PHE A 0 51 . -7.154 10.034 0.109 1.00 59.39 51 A 1 ATOM 428 C CE1 . PHE A 0 51 . -6.205 10.256 2.746 1.00 59.39 51 A 1 ATOM 429 C CE2 . PHE A 0 51 . -6.677 8.895 0.782 1.00 59.39 51 A 1 ATOM 430 C CZ . PHE A 0 51 . -6.201 9.007 2.101 1.00 59.39 51 A 1 ATOM 431 N N . SER A 0 52 . -9.570 15.092 -0.425 1.00 58.79 52 A 1 ATOM 432 C CA . SER A 0 52 . -9.951 16.497 -0.210 1.00 58.79 52 A 1 ATOM 433 C C . SER A 0 52 . -11.355 16.633 0.380 1.00 58.79 52 A 1 ATOM 434 C CB . SER A 0 52 . -9.894 17.284 -1.520 1.00 58.79 52 A 1 ATOM 435 O O . SER A 0 52 . -11.580 17.480 1.244 1.00 58.79 52 A 1 ATOM 436 O OG . SER A 0 52 . -8.577 17.320 -2.026 1.00 58.79 52 A 1 ATOM 437 N N . ARG A 0 53 . -12.292 15.783 -0.059 1.00 58.82 53 A 1 ATOM 438 C CA . ARG A 0 53 . -13.680 15.794 0.417 1.00 58.82 53 A 1 ATOM 439 C C . ARG A 0 53 . -13.799 15.234 1.838 1.00 58.82 53 A 1 ATOM 440 C CB . ARG A 0 53 . -14.548 15.051 -0.614 1.00 58.82 53 A 1 ATOM 441 O O . ARG A 0 53 . -14.575 15.746 2.633 1.00 58.82 53 A 1 ATOM 442 C CG . ARG A 0 53 . -16.020 15.463 -0.537 1.00 58.82 53 A 1 ATOM 443 C CD . ARG A 0 53 . -16.879 14.748 -1.594 1.00 58.82 53 A 1 ATOM 444 N NE . ARG A 0 53 . -16.946 15.471 -2.885 1.00 58.82 53 A 1 ATOM 445 N NH1 . ARG A 0 53 . -19.135 14.955 -3.393 1.00 58.82 53 A 1 ATOM 446 N NH2 . ARG A 0 53 . -17.997 16.296 -4.747 1.00 58.82 53 A 1 ATOM 447 C CZ . ARG A 0 53 . -18.016 15.568 -3.665 1.00 58.82 53 A 1 ATOM 448 N N . ILE A 0 54 . -12.988 14.239 2.184 1.00 58.21 54 A 1 ATOM 449 C CA . ILE A 0 54 . -12.915 13.704 3.544 1.00 58.21 54 A 1 ATOM 450 C C . ILE A 0 54 . -12.241 14.732 4.460 1.00 58.21 54 A 1 ATOM 451 C CB . ILE A 0 54 . -12.252 12.311 3.549 1.00 58.21 54 A 1 ATOM 452 O O . ILE A 0 54 . -12.808 15.069 5.491 1.00 58.21 54 A 1 ATOM 453 C CG1 . ILE A 0 54 . -13.170 11.295 2.822 1.00 58.21 54 A 1 ATOM 454 C CG2 . ILE A 0 54 . -11.993 11.829 4.988 1.00 58.21 54 A 1 ATOM 455 C CD1 . ILE A 0 54 . -12.459 9.996 2.424 1.00 58.21 54 A 1 ATOM 456 N N . HIS A 0 55 . -11.116 15.335 4.063 1.00 55.54 55 A 1 ATOM 457 C CA . HIS A 0 55 . -10.396 16.307 4.893 1.00 55.54 55 A 1 ATOM 458 C C . HIS A 0 55 . -11.220 17.572 5.203 1.00 55.54 55 A 1 ATOM 459 C CB . HIS A 0 55 . -9.057 16.641 4.220 1.00 55.54 55 A 1 ATOM 460 O O . HIS A 0 55 . -11.126 18.103 6.311 1.00 55.54 55 A 1 ATOM 461 C CG . HIS A 0 55 . -8.088 17.354 5.129 1.00 55.54 55 A 1 ATOM 462 C CD2 . HIS A 0 55 . -7.393 16.800 6.171 1.00 55.54 55 A 1 ATOM 463 N ND1 . HIS A 0 55 . -7.705 18.674 5.045 1.00 55.54 55 A 1 ATOM 464 C CE1 . HIS A 0 55 . -6.801 18.906 6.013 1.00 55.54 55 A 1 ATOM 465 N NE2 . HIS A 0 55 . -6.589 17.796 6.732 1.00 55.54 55 A 1 ATOM 466 N N . SER A 0 56 . -12.091 18.023 4.290 1.00 51.22 56 A 1 ATOM 467 C CA . SER A 0 56 . -13.036 19.112 4.583 1.00 51.22 56 A 1 ATOM 468 C C . SER A 0 56 . -14.128 18.694 5.578 1.00 51.22 56 A 1 ATOM 469 C CB . SER A 0 56 . -13.644 19.674 3.295 1.00 51.22 56 A 1 ATOM 470 O O . SER A 0 56 . -14.448 19.456 6.491 1.00 51.22 56 A 1 ATOM 471 O OG . SER A 0 56 . -14.411 18.703 2.617 1.00 51.22 56 A 1 ATOM 472 N N . THR A 0 57 . -14.640 17.462 5.485 1.00 52.69 57 A 1 ATOM 473 C CA . THR A 0 57 . -15.621 16.932 6.451 1.00 52.69 57 A 1 ATOM 474 C C . THR A 0 57 . -15.017 16.644 7.830 1.00 52.69 57 A 1 ATOM 475 C CB . THR A 0 57 . -16.352 15.693 5.915 1.00 52.69 57 A 1 ATOM 476 O O . THR A 0 57 . -15.680 16.858 8.845 1.00 52.69 57 A 1 ATOM 477 C CG2 . THR A 0 57 . -17.202 16.023 4.688 1.00 52.69 57 A 1 ATOM 478 O OG1 . THR A 0 57 . -15.486 14.636 5.582 1.00 52.69 57 A 1 ATOM 479 N N . THR A 0 58 . -13.739 16.256 7.903 1.00 50.69 58 A 1 ATOM 480 C CA . THR A 0 58 . -13.032 16.047 9.175 1.00 50.69 58 A 1 ATOM 481 C C . THR A 0 58 . -12.673 17.374 9.847 1.00 50.69 58 A 1 ATOM 482 C CB . THR A 0 58 . -11.767 15.184 9.006 1.00 50.69 58 A 1 ATOM 483 O O . THR A 0 58 . -12.694 17.456 11.075 1.00 50.69 58 A 1 ATOM 484 C CG2 . THR A 0 58 . -11.462 14.383 10.269 1.00 50.69 58 A 1 ATOM 485 O OG1 . THR A 0 58 . -11.920 14.219 7.999 1.00 50.69 58 A 1 ATOM 486 N N . ARG A 0 59 . -12.419 18.443 9.072 1.00 45.32 59 A 1 ATOM 487 C CA . ARG A 0 59 . -12.189 19.793 9.618 1.00 45.32 59 A 1 ATOM 488 C C . ARG A 0 59 . -13.465 20.402 10.211 1.00 45.32 59 A 1 ATOM 489 C CB . ARG A 0 59 . -11.540 20.690 8.547 1.00 45.32 59 A 1 ATOM 490 O O . ARG A 0 59 . -13.388 21.031 11.255 1.00 45.32 59 A 1 ATOM 491 C CG . ARG A 0 59 . -10.740 21.847 9.168 1.00 45.32 59 A 1 ATOM 492 C CD . ARG A 0 59 . -10.050 22.695 8.084 1.00 45.32 59 A 1 ATOM 493 N NE . ARG A 0 59 . -8.673 23.076 8.467 1.00 45.32 59 A 1 ATOM 494 N NH1 . ARG A 0 59 . -8.304 24.658 6.839 1.00 45.32 59 A 1 ATOM 495 N NH2 . ARG A 0 59 . -6.664 24.134 8.253 1.00 45.32 59 A 1 ATOM 496 C CZ . ARG A 0 59 . -7.892 23.950 7.854 1.00 45.32 59 A 1 ATOM 497 N N . MET A 0 60 . -14.632 20.138 9.617 1.00 43.16 60 A 1 ATOM 498 C CA . MET A 0 60 . -15.933 20.611 10.127 1.00 43.16 60 A 1 ATOM 499 C C . MET A 0 60 . -16.439 19.811 11.342 1.00 43.16 60 A 1 ATOM 500 C CB . MET A 0 60 . -16.960 20.580 8.985 1.00 43.16 60 A 1 ATOM 501 O O . MET A 0 60 . -17.095 20.374 12.219 1.00 43.16 60 A 1 ATOM 502 C CG . MET A 0 60 . -16.655 21.625 7.900 1.00 43.16 60 A 1 ATOM 503 S SD . MET A 0 60 . -17.666 23.126 7.979 1.00 43.16 60 A 1 ATOM 504 C CE . MET A 0 60 . -19.100 22.600 6.999 1.00 43.16 60 A 1 ATOM 505 N N . ARG A 0 61 . -16.111 18.510 11.444 1.00 47.57 61 A 1 ATOM 506 C CA . ARG A 0 61 . -16.449 17.698 12.632 1.00 47.57 61 A 1 ATOM 507 C C . ARG A 0 61 . -15.559 17.982 13.842 1.00 47.57 61 A 1 ATOM 508 C CB . ARG A 0 61 . -16.468 16.194 12.303 1.00 47.57 61 A 1 ATOM 509 O O . ARG A 0 61 . -16.042 17.865 14.960 1.00 47.57 61 A 1 ATOM 510 C CG . ARG A 0 61 . -17.888 15.708 11.976 1.00 47.57 61 A 1 ATOM 511 C CD . ARG A 0 61 . -17.920 14.180 11.855 1.00 47.57 61 A 1 ATOM 512 N NE . ARG A 0 61 . -19.292 13.675 11.657 1.00 47.57 61 A 1 ATOM 513 N NH1 . ARG A 0 61 . -18.784 11.435 11.589 1.00 47.57 61 A 1 ATOM 514 N NH2 . ARG A 0 61 . -20.906 12.087 11.390 1.00 47.57 61 A 1 ATOM 515 C CZ . ARG A 0 61 . -19.653 12.407 11.545 1.00 47.57 61 A 1 ATOM 516 N N . ARG A 0 62 . -14.300 18.393 13.647 1.00 42.95 62 A 1 ATOM 517 C CA . ARG A 0 62 . -13.394 18.734 14.763 1.00 42.95 62 A 1 ATOM 518 C C . ARG A 0 62 . -13.757 20.052 15.456 1.00 42.95 62 A 1 ATOM 519 C CB . ARG A 0 62 . -11.936 18.716 14.274 1.00 42.95 62 A 1 ATOM 520 O O . ARG A 0 62 . -13.397 20.238 16.608 1.00 42.95 62 A 1 ATOM 521 C CG . ARG A 0 62 . -10.965 18.333 15.402 1.00 42.95 62 A 1 ATOM 522 C CD . ARG A 0 62 . -9.530 18.221 14.869 1.00 42.95 62 A 1 ATOM 523 N NE . ARG A 0 62 . -8.743 17.240 15.640 1.00 42.95 62 A 1 ATOM 524 N NH1 . ARG A 0 62 . -6.737 17.516 14.558 1.00 42.95 62 A 1 ATOM 525 N NH2 . ARG A 0 62 . -6.935 15.942 16.127 1.00 42.95 62 A 1 ATOM 526 C CZ . ARG A 0 62 . -7.481 16.905 15.439 1.00 42.95 62 A 1 ATOM 527 N N . SER A 0 63 . -14.495 20.932 14.781 1.00 50.01 63 A 1 ATOM 528 C CA . SER A 0 63 . -14.953 22.213 15.338 1.00 50.01 63 A 1 ATOM 529 C C . SER A 0 63 . -16.302 22.137 16.064 1.00 50.01 63 A 1 ATOM 530 C CB . SER A 0 63 . -15.005 23.262 14.225 1.00 50.01 63 A 1 ATOM 531 O O . SER A 0 63 . -16.653 23.083 16.753 1.00 50.01 63 A 1 ATOM 532 O OG . SER A 0 63 . -13.725 23.389 13.629 1.00 50.01 63 A 1 ATOM 533 N N . ASN A 0 64 . -17.038 21.023 15.948 1.00 48.98 64 A 1 ATOM 534 C CA . ASN A 0 64 . -18.339 20.813 16.606 1.00 48.98 64 A 1 ATOM 535 C C . ASN A 0 64 . -18.302 19.721 17.698 1.00 48.98 64 A 1 ATOM 536 C CB . ASN A 0 64 . -19.411 20.562 15.530 1.00 48.98 64 A 1 ATOM 537 O O . ASN A 0 64 . -19.344 19.294 18.184 1.00 48.98 64 A 1 ATOM 538 C CG . ASN A 0 64 . -19.803 21.838 14.812 1.00 48.98 64 A 1 ATOM 539 N ND2 . ASN A 0 64 . -19.603 21.922 13.517 1.00 48.98 64 A 1 ATOM 540 O OD1 . ASN A 0 64 . -20.287 22.785 15.396 1.00 48.98 64 A 1 ATOM 541 N N . LEU A 0 65 . -17.105 19.265 18.083 1.00 43.95 65 A 1 ATOM 542 C CA . LEU A 0 65 . -16.860 18.291 19.152 1.00 43.95 65 A 1 ATOM 543 C C . LEU A 0 65 . -15.772 18.836 20.092 1.00 43.95 65 A 1 ATOM 544 C CB . LEU A 0 65 . -16.480 16.926 18.529 1.00 43.95 65 A 1 ATOM 545 O O . LEU A 0 65 . -14.613 18.435 20.024 1.00 43.95 65 A 1 ATOM 546 C CG . LEU A 0 65 . -17.690 16.044 18.165 1.00 43.95 65 A 1 ATOM 547 C CD1 . LEU A 0 65 . -17.367 15.156 16.961 1.00 43.95 65 A 1 ATOM 548 C CD2 . LEU A 0 65 . -18.070 15.127 19.332 1.00 43.95 65 A 1 ATOM 549 N N . GLY A 0 66 . -16.135 19.777 20.961 1.00 43.93 66 A 1 ATOM 550 C CA . GLY A 0 66 . -15.485 19.886 22.273 1.00 43.93 66 A 1 ATOM 551 C C . GLY A 0 66 . -16.259 19.046 23.300 1.00 43.93 66 A 1 ATOM 552 O O . GLY A 0 66 . -17.393 18.660 23.018 1.00 43.93 66 A 1 ATOM 553 N N . PRO A 0 67 . -15.749 18.823 24.519 1.00 40.42 67 A 1 ATOM 554 C CA . PRO A 0 67 . -14.432 18.343 24.926 1.00 40.42 67 A 1 ATOM 555 C C . PRO A 0 67 . -14.589 16.930 25.543 1.00 40.42 67 A 1 ATOM 556 C CB . PRO A 0 67 . -14.016 19.373 25.988 1.00 40.42 67 A 1 ATOM 557 O O . PRO A 0 67 . -15.126 16.799 26.638 1.00 40.42 67 A 1 ATOM 558 C CG . PRO A 0 67 . -15.340 19.802 26.647 1.00 40.42 67 A 1 ATOM 559 C CD . PRO A 0 67 . -16.441 19.331 25.689 1.00 40.42 67 A 1 ATOM 560 N N . LEU A 0 68 . -14.146 15.851 24.885 1.00 46.38 68 A 1 ATOM 561 C CA . LEU A 0 68 . -14.150 14.520 25.518 1.00 46.38 68 A 1 ATOM 562 C C . LEU A 0 68 . -12.758 14.185 26.045 1.00 46.38 68 A 1 ATOM 563 C CB . LEU A 0 68 . -14.757 13.414 24.633 1.00 46.38 68 A 1 ATOM 564 O O . LEU A 0 68 . -11.862 13.819 25.289 1.00 46.38 68 A 1 ATOM 565 C CG . LEU A 0 68 . -16.216 13.084 25.022 1.00 46.38 68 A 1 ATOM 566 C CD1 . LEU A 0 68 . -17.201 14.063 24.382 1.00 46.38 68 A 1 ATOM 567 C CD2 . LEU A 0 68 . -16.584 11.666 24.589 1.00 46.38 68 A 1 ATOM 568 N N . ALA A 0 69 . -12.634 14.378 27.357 1.00 46.86 69 A 1 ATOM 569 C CA . ALA A 0 69 . -11.739 13.704 28.283 1.00 46.86 69 A 1 ATOM 570 C C . ALA A 0 69 . -10.864 12.605 27.656 1.00 46.86 69 A 1 ATOM 571 C CB . ALA A 0 69 . -12.643 13.118 29.380 1.00 46.86 69 A 1 ATOM 572 O O . ALA A 0 69 . -11.349 11.530 27.302 1.00 46.86 69 A 1 ATOM 573 N N . SER A 0 70 . -9.553 12.855 27.609 1.00 47.39 70 A 1 ATOM 574 C CA . SER A 0 70 . -8.581 11.769 27.701 1.00 47.39 70 A 1 ATOM 575 C C . SER A 0 70 . -8.871 10.981 28.982 1.00 47.39 70 A 1 ATOM 576 C CB . SER A 0 70 . -7.148 12.301 27.826 1.00 47.39 70 A 1 ATOM 577 O O . SER A 0 70 . -8.834 11.582 30.060 1.00 47.39 70 A 1 ATOM 578 O OG . SER A 0 70 . -6.627 12.698 26.576 1.00 47.39 70 A 1 ATOM 579 N N . PRO A 0 71 . -9.133 9.667 28.918 1.00 46.87 71 A 1 ATOM 580 C CA . PRO A 0 71 . -8.978 8.828 30.087 1.00 46.87 71 A 1 ATOM 581 C C . PRO A 0 71 . -7.482 8.768 30.417 1.00 46.87 71 A 1 ATOM 582 C CB . PRO A 0 71 . -9.601 7.482 29.722 1.00 46.87 71 A 1 ATOM 583 O O . PRO A 0 71 . -6.644 8.477 29.564 1.00 46.87 71 A 1 ATOM 584 C CG . PRO A 0 71 . -9.429 7.407 28.205 1.00 46.87 71 A 1 ATOM 585 C CD . PRO A 0 71 . -9.410 8.864 27.738 1.00 46.87 71 A 1 ATOM 586 N N . VAL A 0 72 . -7.180 9.135 31.657 1.00 58.36 72 A 1 ATOM 587 C CA . VAL A 0 72 . -5.898 9.001 32.346 1.00 58.36 72 A 1 ATOM 588 C C . VAL A 0 72 . -5.294 7.623 32.056 1.00 58.36 72 A 1 ATOM 589 C CB . VAL A 0 72 . -6.180 9.223 33.852 1.00 58.36 72 A 1 ATOM 590 O O . VAL A 0 72 . -5.888 6.594 32.375 1.00 58.36 72 A 1 ATOM 591 C CG1 . VAL A 0 72 . -5.054 8.822 34.802 1.00 58.36 72 A 1 ATOM 592 C CG2 . VAL A 0 72 . -6.495 10.708 34.103 1.00 58.36 72 A 1 ATOM 593 N N . ASN A 0 73 . -4.116 7.619 31.428 1.00 45.78 73 A 1 ATOM 594 C CA . ASN A 0 73 . -3.172 6.517 31.564 1.00 45.78 73 A 1 ATOM 595 C C . ASN A 0 73 . -2.792 6.436 33.048 1.00 45.78 73 A 1 ATOM 596 C CB . ASN A 0 73 . -1.912 6.804 30.725 1.00 45.78 73 A 1 ATOM 597 O O . ASN A 0 73 . -2.460 7.478 33.602 1.00 45.78 73 A 1 ATOM 598 C CG . ASN A 0 73 . -2.092 6.653 29.228 1.00 45.78 73 A 1 ATOM 599 N ND2 . ASN A 0 73 . -1.283 7.331 28.446 1.00 45.78 73 A 1 ATOM 600 O OD1 . ASN A 0 73 . -2.910 5.907 28.723 1.00 45.78 73 A 1 ATOM 601 N N . ALA A 0 74 . -2.895 5.228 33.611 1.00 38.51 74 A 1 ATOM 602 C CA . ALA A 0 74 . -2.242 4.705 34.821 1.00 38.51 74 A 1 ATOM 603 C C . ALA A 0 74 . -1.554 5.704 35.771 1.00 38.51 74 A 1 ATOM 604 C CB . ALA A 0 74 . -1.259 3.617 34.370 1.00 38.51 74 A 1 ATOM 605 O O . ALA A 0 74 . -0.585 6.371 35.343 1.00 38.51 74 A 1 ATOM 606 O OXT . ALA A 0 74 . -1.953 5.660 36.952 1.00 38.51 74 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 51.10 # loop_ _atom_type.symbol C N O S #