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 ILE 0 2 PHE 0 3 LEU 0 4 ASN 0 5 ALA 0 6 THR 0 7 TRP 0 8 HIS 0 9 ARG 0 10 ILE 0 11 GLU 0 12 ASN 0 13 ARG 0 14 VAL 0 15 THR 0 16 SER 0 17 GLY 0 18 VAL 0 19 PHE 0 20 TYR 0 21 PHE 0 22 ASP 0 23 LEU 0 24 TYR 0 25 LEU 0 26 VAL 0 27 ILE 0 28 TYR 0 29 ASN 0 30 TRP 0 31 LEU 0 32 ARG 0 33 SER 0 34 CYS 0 35 LEU 0 36 LEU 0 37 ASN 0 38 THR 0 39 ASP 0 40 ASN 0 41 LEU 0 42 ARG 0 43 GLU 0 44 VAL 0 45 LEU 0 46 TYR 0 47 PRO 0 48 SER 0 49 GLU 0 50 PHE 0 51 ASP 0 52 ASP 0 53 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 . ILE A 0 1 . 14.024 7.388 13.577 1.00 72.16 1 A 1 ATOM 2 C CA . ILE A 0 1 . 12.997 7.608 14.632 1.00 72.16 1 A 1 ATOM 3 C C . ILE A 0 1 . 11.696 8.144 14.034 1.00 72.16 1 A 1 ATOM 4 C CB . ILE A 0 1 . 13.513 8.454 15.819 1.00 72.16 1 A 1 ATOM 5 O O . ILE A 0 1 . 10.690 7.457 14.131 1.00 72.16 1 A 1 ATOM 6 C CG1 . ILE A 0 1 . 14.781 7.798 16.417 1.00 72.16 1 A 1 ATOM 7 C CG2 . ILE A 0 1 . 12.416 8.582 16.891 1.00 72.16 1 A 1 ATOM 8 C CD1 . ILE A 0 1 . 15.475 8.636 17.496 1.00 72.16 1 A 1 ATOM 9 N N . PHE A 0 2 . 11.712 9.299 13.356 1.00 79.67 2 A 1 ATOM 10 C CA . PHE A 0 2 . 10.505 9.902 12.764 1.00 79.67 2 A 1 ATOM 11 C C . PHE A 0 2 . 9.770 8.984 11.773 1.00 79.67 2 A 1 ATOM 12 C CB . PHE A 0 2 . 10.903 11.220 12.088 1.00 79.67 2 A 1 ATOM 13 O O . PHE A 0 2 . 8.575 8.762 11.924 1.00 79.67 2 A 1 ATOM 14 C CG . PHE A 0 2 . 9.733 11.959 11.475 1.00 79.67 2 A 1 ATOM 15 C CD1 . PHE A 0 2 . 9.476 11.869 10.092 1.00 79.67 2 A 1 ATOM 16 C CD2 . PHE A 0 2 . 8.889 12.733 12.294 1.00 79.67 2 A 1 ATOM 17 C CE1 . PHE A 0 2 . 8.383 12.554 9.534 1.00 79.67 2 A 1 ATOM 18 C CE2 . PHE A 0 2 . 7.799 13.419 11.733 1.00 79.67 2 A 1 ATOM 19 C CZ . PHE A 0 2 . 7.546 13.330 10.354 1.00 79.67 2 A 1 ATOM 20 N N . LEU A 0 3 . 10.495 8.389 10.819 1.00 78.43 3 A 1 ATOM 21 C CA . LEU A 0 3 . 9.926 7.453 9.838 1.00 78.43 3 A 1 ATOM 22 C C . LEU A 0 3 . 9.190 6.283 10.497 1.00 78.43 3 A 1 ATOM 23 C CB . LEU A 0 3 . 11.056 6.940 8.926 1.00 78.43 3 A 1 ATOM 24 O O . LEU A 0 3 . 8.080 5.962 10.092 1.00 78.43 3 A 1 ATOM 25 C CG . LEU A 0 3 . 11.298 7.868 7.723 1.00 78.43 3 A 1 ATOM 26 C CD1 . LEU A 0 3 . 12.743 7.759 7.246 1.00 78.43 3 A 1 ATOM 27 C CD2 . LEU A 0 3 . 10.364 7.510 6.568 1.00 78.43 3 A 1 ATOM 28 N N . ASN A 0 4 . 9.767 5.707 11.555 1.00 78.56 4 A 1 ATOM 29 C CA . ASN A 0 4 . 9.162 4.576 12.253 1.00 78.56 4 A 1 ATOM 30 C C . ASN A 0 4 . 7.859 4.977 12.965 1.00 78.56 4 A 1 ATOM 31 C CB . ASN A 0 4 . 10.200 3.978 13.225 1.00 78.56 4 A 1 ATOM 32 O O . ASN A 0 4 . 6.856 4.280 12.882 1.00 78.56 4 A 1 ATOM 33 C CG . ASN A 0 4 . 9.872 2.535 13.573 1.00 78.56 4 A 1 ATOM 34 N ND2 . ASN A 0 4 . 10.311 2.033 14.701 1.00 78.56 4 A 1 ATOM 35 O OD1 . ASN A 0 4 . 9.254 1.826 12.810 1.00 78.56 4 A 1 ATOM 36 N N . ALA A 0 5 . 7.835 6.151 13.606 1.00 85.47 5 A 1 ATOM 37 C CA . ALA A 0 5 . 6.623 6.673 14.237 1.00 85.47 5 A 1 ATOM 38 C C . ALA A 0 5 . 5.524 6.999 13.210 1.00 85.47 5 A 1 ATOM 39 C CB . ALA A 0 5 . 7.003 7.908 15.061 1.00 85.47 5 A 1 ATOM 40 O O . ALA A 0 5 . 4.345 6.744 13.454 1.00 85.47 5 A 1 ATOM 41 N N . THR A 0 6 . 5.903 7.549 12.054 1.00 82.51 6 A 1 ATOM 42 C CA . THR A 0 6 . 4.976 7.818 10.948 1.00 82.51 6 A 1 ATOM 43 C C . THR A 0 6 . 4.416 6.521 10.369 1.00 82.51 6 A 1 ATOM 44 C CB . THR A 0 6 . 5.668 8.649 9.862 1.00 82.51 6 A 1 ATOM 45 O O . THR A 0 6 . 3.209 6.437 10.151 1.00 82.51 6 A 1 ATOM 46 C CG2 . THR A 0 6 . 4.739 9.018 8.707 1.00 82.51 6 A 1 ATOM 47 O OG1 . THR A 0 6 . 6.092 9.864 10.439 1.00 82.51 6 A 1 ATOM 48 N N . TRP A 0 7 . 5.256 5.497 10.196 1.00 85.64 7 A 1 ATOM 49 C CA . TRP A 0 7 . 4.832 4.175 9.738 1.00 85.64 7 A 1 ATOM 50 C C . TRP A 0 7 . 3.814 3.547 10.690 1.00 85.64 7 A 1 ATOM 51 C CB . TRP A 0 7 . 6.051 3.265 9.572 1.00 85.64 7 A 1 ATOM 52 O O . TRP A 0 7 . 2.728 3.170 10.263 1.00 85.64 7 A 1 ATOM 53 C CG . TRP A 0 7 . 5.693 1.935 8.998 1.00 85.64 7 A 1 ATOM 54 C CD1 . TRP A 0 7 . 5.603 0.767 9.675 1.00 85.64 7 A 1 ATOM 55 C CD2 . TRP A 0 7 . 5.278 1.641 7.631 1.00 85.64 7 A 1 ATOM 56 C CE2 . TRP A 0 7 . 4.964 0.253 7.545 1.00 85.64 7 A 1 ATOM 57 C CE3 . TRP A 0 7 . 5.120 2.419 6.462 1.00 85.64 7 A 1 ATOM 58 N NE1 . TRP A 0 7 . 5.175 -0.229 8.819 1.00 85.64 7 A 1 ATOM 59 C CH2 . TRP A 0 7 . 4.391 0.456 5.203 1.00 85.64 7 A 1 ATOM 60 C CZ2 . TRP A 0 7 . 4.527 -0.340 6.353 1.00 85.64 7 A 1 ATOM 61 C CZ3 . TRP A 0 7 . 4.682 1.832 5.259 1.00 85.64 7 A 1 ATOM 62 N N . HIS A 0 8 . 4.094 3.555 11.993 1.00 88.05 8 A 1 ATOM 63 C CA . HIS A 0 8 . 3.178 2.996 12.988 1.00 88.05 8 A 1 ATOM 64 C C . HIS A 0 8 . 1.828 3.735 13.034 1.00 88.05 8 A 1 ATOM 65 C CB . HIS A 0 8 . 3.868 3.022 14.360 1.00 88.05 8 A 1 ATOM 66 O O . HIS A 0 8 . 0.777 3.135 13.243 1.00 88.05 8 A 1 ATOM 67 C CG . HIS A 0 8 . 3.841 1.714 15.103 1.00 88.05 8 A 1 ATOM 68 C CD2 . HIS A 0 8 . 4.603 1.431 16.203 1.00 88.05 8 A 1 ATOM 69 N ND1 . HIS A 0 8 . 3.126 0.569 14.808 1.00 88.05 8 A 1 ATOM 70 C CE1 . HIS A 0 8 . 3.444 -0.360 15.718 1.00 88.05 8 A 1 ATOM 71 N NE2 . HIS A 0 8 . 4.341 0.121 16.596 1.00 88.05 8 A 1 ATOM 72 N N . ARG A 0 9 . 1.822 5.054 12.790 1.00 87.15 9 A 1 ATOM 73 C CA . ARG A 0 9 . 0.573 5.823 12.650 1.00 87.15 9 A 1 ATOM 74 C C . ARG A 0 9 . -0.217 5.421 11.409 1.00 87.15 9 A 1 ATOM 75 C CB . ARG A 0 9 . 0.864 7.325 12.612 1.00 87.15 9 A 1 ATOM 76 O O . ARG A 0 9 . -1.441 5.364 11.484 1.00 87.15 9 A 1 ATOM 77 C CG . ARG A 0 9 . 1.220 7.883 13.991 1.00 87.15 9 A 1 ATOM 78 C CD . ARG A 0 9 . 1.584 9.360 13.839 1.00 87.15 9 A 1 ATOM 79 N NE . ARG A 0 9 . 1.937 9.965 15.133 1.00 87.15 9 A 1 ATOM 80 N NH1 . ARG A 0 9 . 2.213 12.112 14.372 1.00 87.15 9 A 1 ATOM 81 N NH2 . ARG A 0 9 . 2.522 11.659 16.535 1.00 87.15 9 A 1 ATOM 82 C CZ . ARG A 0 9 . 2.221 11.237 15.340 1.00 87.15 9 A 1 ATOM 83 N N . ILE A 0 10 . 0.455 5.173 10.285 1.00 85.94 10 A 1 ATOM 84 C CA . ILE A 0 10 . -0.189 4.674 9.064 1.00 85.94 10 A 1 ATOM 85 C C . ILE A 0 10 . -0.784 3.291 9.330 1.00 85.94 10 A 1 ATOM 86 C CB . ILE A 0 10 . 0.804 4.684 7.879 1.00 85.94 10 A 1 ATOM 87 O O . ILE A 0 10 . -1.967 3.092 9.080 1.00 85.94 10 A 1 ATOM 88 C CG1 . ILE A 0 10 . 1.072 6.143 7.448 1.00 85.94 10 A 1 ATOM 89 C CG2 . ILE A 0 10 . 0.272 3.836 6.709 1.00 85.94 10 A 1 ATOM 90 C CD1 . ILE A 0 10 . 2.279 6.297 6.513 1.00 85.94 10 A 1 ATOM 91 N N . GLU A 0 11 . -0.010 2.384 9.920 1.00 88.12 11 A 1 ATOM 92 C CA . GLU A 0 11 . -0.445 1.032 10.275 1.00 88.12 11 A 1 ATOM 93 C C . GLU A 0 11 . -1.687 1.044 11.179 1.00 88.12 11 A 1 ATOM 94 C CB . GLU A 0 11 . 0.734 0.333 10.952 1.00 88.12 11 A 1 ATOM 95 O O . GLU A 0 11 . -2.687 0.400 10.861 1.00 88.12 11 A 1 ATOM 96 C CG . GLU A 0 11 . 0.461 -1.144 11.254 1.00 88.12 11 A 1 ATOM 97 C CD . GLU A 0 11 . 1.651 -1.798 11.968 1.00 88.12 11 A 1 ATOM 98 O OE1 . GLU A 0 11 . 1.731 -3.043 11.919 1.00 88.12 11 A 1 ATOM 99 O OE2 . GLU A 0 11 . 2.463 -1.048 12.568 1.00 88.12 11 A 1 ATOM 100 N N . ASN A 0 12 . -1.690 1.856 12.240 1.00 88.96 12 A 1 ATOM 101 C CA . ASN A 0 12 . -2.849 2.006 13.126 1.00 88.96 12 A 1 ATOM 102 C C . ASN A 0 12 . -4.091 2.540 12.397 1.00 88.96 12 A 1 ATOM 103 C CB . ASN A 0 12 . -2.471 2.943 14.286 1.00 88.96 12 A 1 ATOM 104 O O . ASN A 0 12 . -5.214 2.162 12.721 1.00 88.96 12 A 1 ATOM 105 C CG . ASN A 0 12 . -1.559 2.292 15.309 1.00 88.96 12 A 1 ATOM 106 N ND2 . ASN A 0 12 . -0.976 3.067 16.193 1.00 88.96 12 A 1 ATOM 107 O OD1 . ASN A 0 12 . -1.381 1.094 15.375 1.00 88.96 12 A 1 ATOM 108 N N . ARG A 0 13 . -3.915 3.429 11.412 1.00 88.50 13 A 1 ATOM 109 C CA . ARG A 0 13 . -5.033 3.970 10.623 1.00 88.50 13 A 1 ATOM 110 C C . ARG A 0 13 . -5.557 2.975 9.593 1.00 88.50 13 A 1 ATOM 111 C CB . ARG A 0 13 . -4.624 5.275 9.937 1.00 88.50 13 A 1 ATOM 112 O O . ARG A 0 13 . -6.754 2.962 9.349 1.00 88.50 13 A 1 ATOM 113 C CG . ARG A 0 13 . -4.504 6.442 10.921 1.00 88.50 13 A 1 ATOM 114 C CD . ARG A 0 13 . -4.105 7.727 10.185 1.00 88.50 13 A 1 ATOM 115 N NE . ARG A 0 13 . -5.271 8.381 9.562 1.00 88.50 13 A 1 ATOM 116 N NH1 . ARG A 0 13 . -4.181 10.045 8.381 1.00 88.50 13 A 1 ATOM 117 N NH2 . ARG A 0 13 . -6.364 10.054 8.492 1.00 88.50 13 A 1 ATOM 118 C CZ . ARG A 0 13 . -5.260 9.476 8.823 1.00 88.50 13 A 1 ATOM 119 N N . VAL A 0 14 . -4.690 2.158 8.996 1.00 84.95 14 A 1 ATOM 120 C CA . VAL A 0 14 . -5.102 1.097 8.063 1.00 84.95 14 A 1 ATOM 121 C C . VAL A 0 14 . -5.849 -0.009 8.811 1.00 84.95 14 A 1 ATOM 122 C CB . VAL A 0 14 . -3.885 0.532 7.300 1.00 84.95 14 A 1 ATOM 123 O O . VAL A 0 14 . -6.887 -0.476 8.352 1.00 84.95 14 A 1 ATOM 124 C CG1 . VAL A 0 14 . -4.244 -0.683 6.437 1.00 84.95 14 A 1 ATOM 125 C CG2 . VAL A 0 14 . -3.287 1.582 6.353 1.00 84.95 14 A 1 ATOM 126 N N . THR A 0 15 . -5.351 -0.404 9.983 1.00 88.76 15 A 1 ATOM 127 C CA . THR A 0 15 . -5.919 -1.503 10.782 1.00 88.76 15 A 1 ATOM 128 C C . THR A 0 15 . -7.179 -1.123 11.559 1.00 88.76 15 A 1 ATOM 129 C CB . THR A 0 15 . -4.883 -2.082 11.755 1.00 88.76 15 A 1 ATOM 130 O O . THR A 0 15 . -7.919 -2.013 11.970 1.00 88.76 15 A 1 ATOM 131 C CG2 . THR A 0 15 . -3.737 -2.783 11.027 1.00 88.76 15 A 1 ATOM 132 O OG1 . THR A 0 15 . -4.323 -1.060 12.541 1.00 88.76 15 A 1 ATOM 133 N N . SER A 0 16 . -7.485 0.169 11.726 1.00 90.14 16 A 1 ATOM 134 C CA . SER A 0 16 . -8.694 0.604 12.442 1.00 90.14 16 A 1 ATOM 135 C C . SER A 0 16 . -10.002 0.317 11.696 1.00 90.14 16 A 1 ATOM 136 C CB . SER A 0 16 . -8.620 2.093 12.783 1.00 90.14 16 A 1 ATOM 137 O O . SER A 0 16 . -11.075 0.455 12.280 1.00 90.14 16 A 1 ATOM 138 O OG . SER A 0 16 . -8.802 2.892 11.631 1.00 90.14 16 A 1 ATOM 139 N N . GLY A 0 17 . -9.940 -0.029 10.404 1.00 85.23 17 A 1 ATOM 140 C CA . GLY A 0 17 . -11.118 -0.227 9.553 1.00 85.23 17 A 1 ATOM 141 C C . GLY A 0 17 . -11.873 1.066 9.217 1.00 85.23 17 A 1 ATOM 142 O O . GLY A 0 17 . -12.888 1.023 8.523 1.00 85.23 17 A 1 ATOM 143 N N . VAL A 0 18 . -11.388 2.223 9.678 1.00 85.51 18 A 1 ATOM 144 C CA . VAL A 0 18 . -11.959 3.532 9.355 1.00 85.51 18 A 1 ATOM 145 C C . VAL A 0 18 . -11.350 4.034 8.053 1.00 85.51 18 A 1 ATOM 146 C CB . VAL A 0 18 . -11.756 4.541 10.500 1.00 85.51 18 A 1 ATOM 147 O O . VAL A 0 18 . -10.130 4.105 7.902 1.00 85.51 18 A 1 ATOM 148 C CG1 . VAL A 0 18 . -12.335 5.920 10.153 1.00 85.51 18 A 1 ATOM 149 C CG2 . VAL A 0 18 . -12.441 4.057 11.786 1.00 85.51 18 A 1 ATOM 150 N N . PHE A 0 19 . -12.201 4.431 7.106 1.00 86.18 19 A 1 ATOM 151 C CA . PHE A 0 19 . -11.725 5.030 5.868 1.00 86.18 19 A 1 ATOM 152 C C . PHE A 0 19 . -11.202 6.447 6.116 1.00 86.18 19 A 1 ATOM 153 C CB . PHE A 0 19 . -12.807 5.013 4.789 1.00 86.18 19 A 1 ATOM 154 O O . PHE A 0 19 . -11.939 7.351 6.512 1.00 86.18 19 A 1 ATOM 155 C CG . PHE A 0 19 . -12.318 5.617 3.486 1.00 86.18 19 A 1 ATOM 156 C CD1 . PHE A 0 19 . -12.696 6.924 3.124 1.00 86.18 19 A 1 ATOM 157 C CD2 . PHE A 0 19 . -11.448 4.887 2.654 1.00 86.18 19 A 1 ATOM 158 C CE1 . PHE A 0 19 . -12.227 7.487 1.924 1.00 86.18 19 A 1 ATOM 159 C CE2 . PHE A 0 19 . -10.973 5.454 1.459 1.00 86.18 19 A 1 ATOM 160 C CZ . PHE A 0 19 . -11.365 6.752 1.091 1.00 86.18 19 A 1 ATOM 161 N N . TYR A 0 20 . -9.924 6.645 5.819 1.00 88.96 20 A 1 ATOM 162 C CA . TYR A 0 20 . -9.259 7.936 5.878 1.00 88.96 20 A 1 ATOM 163 C C . TYR A 0 20 . -8.904 8.389 4.462 1.00 88.96 20 A 1 ATOM 164 C CB . TYR A 0 20 . -8.032 7.789 6.773 1.00 88.96 20 A 1 ATOM 165 O O . TYR A 0 20 . -7.982 7.856 3.844 1.00 88.96 20 A 1 ATOM 166 C CG . TYR A 0 20 . -8.338 7.563 8.242 1.00 88.96 20 A 1 ATOM 167 C CD1 . TYR A 0 20 . -8.918 8.576 9.036 1.00 88.96 20 A 1 ATOM 168 C CD2 . TYR A 0 20 . -8.035 6.318 8.816 1.00 88.96 20 A 1 ATOM 169 C CE1 . TYR A 0 20 . -9.149 8.353 10.409 1.00 88.96 20 A 1 ATOM 170 C CE2 . TYR A 0 20 . -8.274 6.089 10.178 1.00 88.96 20 A 1 ATOM 171 O OH . TYR A 0 20 . -9.080 6.853 12.293 1.00 88.96 20 A 1 ATOM 172 C CZ . TYR A 0 20 . -8.836 7.099 10.980 1.00 88.96 20 A 1 ATOM 173 N N . PHE A 0 21 . -9.642 9.371 3.937 1.00 86.89 21 A 1 ATOM 174 C CA . PHE A 0 21 . -9.485 9.848 2.558 1.00 86.89 21 A 1 ATOM 175 C C . PHE A 0 21 . -8.084 10.408 2.269 1.00 86.89 21 A 1 ATOM 176 C CB . PHE A 0 21 . -10.549 10.919 2.287 1.00 86.89 21 A 1 ATOM 177 O O . PHE A 0 21 . -7.522 10.168 1.204 1.00 86.89 21 A 1 ATOM 178 C CG . PHE A 0 21 . -10.508 11.476 0.877 1.00 86.89 21 A 1 ATOM 179 C CD1 . PHE A 0 21 . -10.073 12.794 0.645 1.00 86.89 21 A 1 ATOM 180 C CD2 . PHE A 0 21 . -10.898 10.668 -0.208 1.00 86.89 21 A 1 ATOM 181 C CE1 . PHE A 0 21 . -10.053 13.307 -0.664 1.00 86.89 21 A 1 ATOM 182 C CE2 . PHE A 0 21 . -10.858 11.175 -1.518 1.00 86.89 21 A 1 ATOM 183 C CZ . PHE A 0 21 . -10.438 12.496 -1.746 1.00 86.89 21 A 1 ATOM 184 N N . ASP A 0 22 . -7.496 11.112 3.236 1.00 89.02 22 A 1 ATOM 185 C CA . ASP A 0 22 . -6.128 11.626 3.172 1.00 89.02 22 A 1 ATOM 186 C C . ASP A 0 22 . -5.101 10.492 3.070 1.00 89.02 22 A 1 ATOM 187 C CB . ASP A 0 22 . -5.861 12.513 4.406 1.00 89.02 22 A 1 ATOM 188 O O . ASP A 0 22 . -4.202 10.537 2.232 1.00 89.02 22 A 1 ATOM 189 C CG . ASP A 0 22 . -6.002 11.783 5.752 1.00 89.02 22 A 1 ATOM 190 O OD1 . ASP A 0 22 . -6.960 11.000 5.932 1.00 89.02 22 A 1 ATOM 191 O OD2 . ASP A 0 22 . -5.151 11.953 6.652 1.00 89.02 22 A 1 ATOM 192 N N . LEU A 0 23 . -5.269 9.440 3.872 1.00 87.66 23 A 1 ATOM 193 C CA . LEU A 0 23 . -4.399 8.271 3.829 1.00 87.66 23 A 1 ATOM 194 C C . LEU A 0 23 . -4.537 7.518 2.502 1.00 87.66 23 A 1 ATOM 195 C CB . LEU A 0 23 . -4.730 7.374 5.026 1.00 87.66 23 A 1 ATOM 196 O O . LEU A 0 23 . -3.530 7.139 1.906 1.00 87.66 23 A 1 ATOM 197 C CG . LEU A 0 23 . -3.866 6.107 5.106 1.00 87.66 23 A 1 ATOM 198 C CD1 . LEU A 0 23 . -2.379 6.434 5.243 1.00 87.66 23 A 1 ATOM 199 C CD2 . LEU A 0 23 . -4.304 5.305 6.325 1.00 87.66 23 A 1 ATOM 200 N N . TYR A 0 24 . -5.768 7.350 2.018 1.00 86.59 24 A 1 ATOM 201 C CA . TYR A 0 24 . -6.038 6.760 0.710 1.00 86.59 24 A 1 ATOM 202 C C . TYR A 0 24 . -5.324 7.529 -0.409 1.00 86.59 24 A 1 ATOM 203 C CB . TYR A 0 24 . -7.552 6.718 0.471 1.00 86.59 24 A 1 ATOM 204 O O . TYR A 0 24 . -4.638 6.921 -1.224 1.00 86.59 24 A 1 ATOM 205 C CG . TYR A 0 24 . -7.911 6.336 -0.950 1.00 86.59 24 A 1 ATOM 206 C CD1 . TYR A 0 24 . -8.168 7.340 -1.906 1.00 86.59 24 A 1 ATOM 207 C CD2 . TYR A 0 24 . -7.915 4.982 -1.330 1.00 86.59 24 A 1 ATOM 208 C CE1 . TYR A 0 24 . -8.422 6.990 -3.246 1.00 86.59 24 A 1 ATOM 209 C CE2 . TYR A 0 24 . -8.180 4.628 -2.666 1.00 86.59 24 A 1 ATOM 210 O OH . TYR A 0 24 . -8.667 5.277 -4.916 1.00 86.59 24 A 1 ATOM 211 C CZ . TYR A 0 24 . -8.428 5.630 -3.626 1.00 86.59 24 A 1 ATOM 212 N N . LEU A 0 25 . -5.420 8.862 -0.419 1.00 89.03 25 A 1 ATOM 213 C CA . LEU A 0 25 . -4.732 9.717 -1.390 1.00 89.03 25 A 1 ATOM 214 C C . LEU A 0 25 . -3.211 9.558 -1.340 1.00 89.03 25 A 1 ATOM 215 C CB . LEU A 0 25 . -5.119 11.181 -1.117 1.00 89.03 25 A 1 ATOM 216 O O . LEU A 0 25 . -2.572 9.495 -2.390 1.00 89.03 25 A 1 ATOM 217 C CG . LEU A 0 25 . -6.196 11.687 -2.086 1.00 89.03 25 A 1 ATOM 218 C CD1 . LEU A 0 25 . -6.973 12.818 -1.431 1.00 89.03 25 A 1 ATOM 219 C CD2 . LEU A 0 25 . -5.559 12.227 -3.369 1.00 89.03 25 A 1 ATOM 220 N N . VAL A 0 26 . -2.626 9.486 -0.141 1.00 86.51 26 A 1 ATOM 221 C CA . VAL A 0 26 . -1.181 9.278 0.032 1.00 86.51 26 A 1 ATOM 222 C C . VAL A 0 26 . -0.756 7.930 -0.544 1.00 86.51 26 A 1 ATOM 223 C CB . VAL A 0 26 . -0.776 9.413 1.513 1.00 86.51 26 A 1 ATOM 224 O O . VAL A 0 26 . 0.169 7.887 -1.354 1.00 86.51 26 A 1 ATOM 225 C CG1 . VAL A 0 26 . 0.662 8.951 1.783 1.00 86.51 26 A 1 ATOM 226 C CG2 . VAL A 0 26 . -0.868 10.880 1.955 1.00 86.51 26 A 1 ATOM 227 N N . ILE A 0 27 . -1.452 6.849 -0.185 1.00 84.74 27 A 1 ATOM 228 C CA . ILE A 0 27 . -1.145 5.501 -0.681 1.00 84.74 27 A 1 ATOM 229 C C . ILE A 0 27 . -1.353 5.429 -2.197 1.00 84.74 27 A 1 ATOM 230 C CB . ILE A 0 27 . -1.979 4.441 0.076 1.00 84.74 27 A 1 ATOM 231 O O . ILE A 0 27 . -0.493 4.913 -2.903 1.00 84.74 27 A 1 ATOM 232 C CG1 . ILE A 0 27 . -1.561 4.402 1.566 1.00 84.74 27 A 1 ATOM 233 C CG2 . ILE A 0 27 . -1.799 3.047 -0.559 1.00 84.74 27 A 1 ATOM 234 C CD1 . ILE A 0 27 . -2.480 3.549 2.450 1.00 84.74 27 A 1 ATOM 235 N N . TYR A 0 28 . -2.442 5.997 -2.717 1.00 85.80 28 A 1 ATOM 236 C CA . TYR A 0 28 . -2.733 6.032 -4.150 1.00 85.80 28 A 1 ATOM 237 C C . TYR A 0 28 . -1.662 6.791 -4.937 1.00 85.80 28 A 1 ATOM 238 C CB . TYR A 0 28 . -4.111 6.666 -4.376 1.00 85.80 28 A 1 ATOM 239 O O . TYR A 0 28 . -1.179 6.297 -5.952 1.00 85.80 28 A 1 ATOM 240 C CG . TYR A 0 28 . -4.452 6.837 -5.843 1.00 85.80 28 A 1 ATOM 241 C CD1 . TYR A 0 28 . -4.237 8.076 -6.480 1.00 85.80 28 A 1 ATOM 242 C CD2 . TYR A 0 28 . -4.939 5.741 -6.580 1.00 85.80 28 A 1 ATOM 243 C CE1 . TYR A 0 28 . -4.521 8.224 -7.850 1.00 85.80 28 A 1 ATOM 244 C CE2 . TYR A 0 28 . -5.214 5.882 -7.953 1.00 85.80 28 A 1 ATOM 245 O OH . TYR A 0 28 . -5.295 7.264 -9.909 1.00 85.80 28 A 1 ATOM 246 C CZ . TYR A 0 28 . -5.011 7.124 -8.588 1.00 85.80 28 A 1 ATOM 247 N N . ASN A 0 29 . -1.250 7.973 -4.471 1.00 86.48 29 A 1 ATOM 248 C CA . ASN A 0 29 . -0.216 8.758 -5.144 1.00 86.48 29 A 1 ATOM 249 C C . ASN A 0 29 . 1.156 8.085 -5.066 1.00 86.48 29 A 1 ATOM 250 C CB . ASN A 0 29 . -0.173 10.169 -4.545 1.00 86.48 29 A 1 ATOM 251 O O . ASN A 0 29 . 1.910 8.138 -6.039 1.00 86.48 29 A 1 ATOM 252 C CG . ASN A 0 29 . -1.324 11.035 -5.021 1.00 86.48 29 A 1 ATOM 253 N ND2 . ASN A 0 29 . -1.776 11.955 -4.204 1.00 86.48 29 A 1 ATOM 254 O OD1 . ASN A 0 29 . -1.809 10.926 -6.137 1.00 86.48 29 A 1 ATOM 255 N N . TRP A 0 30 . 1.469 7.432 -3.945 1.00 84.02 30 A 1 ATOM 256 C CA . TRP A 0 30 . 2.679 6.627 -3.807 1.00 84.02 30 A 1 ATOM 257 C C . TRP A 0 30 . 2.669 5.458 -4.795 1.00 84.02 30 A 1 ATOM 258 C CB . TRP A 0 30 . 2.813 6.154 -2.358 1.00 84.02 30 A 1 ATOM 259 O O . TRP A 0 30 . 3.580 5.352 -5.612 1.00 84.02 30 A 1 ATOM 260 C CG . TRP A 0 30 . 3.959 5.226 -2.131 1.00 84.02 30 A 1 ATOM 261 C CD1 . TRP A 0 30 . 5.261 5.584 -2.056 1.00 84.02 30 A 1 ATOM 262 C CD2 . TRP A 0 30 . 3.934 3.770 -2.021 1.00 84.02 30 A 1 ATOM 263 C CE2 . TRP A 0 30 . 5.276 3.311 -1.868 1.00 84.02 30 A 1 ATOM 264 C CE3 . TRP A 0 30 . 2.916 2.791 -2.053 1.00 84.02 30 A 1 ATOM 265 N NE1 . TRP A 0 30 . 6.041 4.457 -1.896 1.00 84.02 30 A 1 ATOM 266 C CH2 . TRP A 0 30 . 4.563 1.004 -1.774 1.00 84.02 30 A 1 ATOM 267 C CZ2 . TRP A 0 30 . 5.598 1.953 -1.745 1.00 84.02 30 A 1 ATOM 268 C CZ3 . TRP A 0 30 . 3.228 1.423 -1.927 1.00 84.02 30 A 1 ATOM 269 N N . LEU A 0 31 . 1.589 4.670 -4.819 1.00 83.20 31 A 1 ATOM 270 C CA . LEU A 0 31 . 1.423 3.545 -5.739 1.00 83.20 31 A 1 ATOM 271 C C . LEU A 0 31 . 1.498 4.006 -7.200 1.00 83.20 31 A 1 ATOM 272 C CB . LEU A 0 31 . 0.072 2.863 -5.459 1.00 83.20 31 A 1 ATOM 273 O O . LEU A 0 31 . 2.206 3.417 -8.008 1.00 83.20 31 A 1 ATOM 274 C CG . LEU A 0 31 . 0.023 1.430 -6.026 1.00 83.20 31 A 1 ATOM 275 C CD1 . LEU A 0 31 . 0.237 0.419 -4.899 1.00 83.20 31 A 1 ATOM 276 C CD2 . LEU A 0 31 . -1.322 1.146 -6.691 1.00 83.20 31 A 1 ATOM 277 N N . ARG A 0 32 . 0.823 5.110 -7.534 1.00 83.23 32 A 1 ATOM 278 C CA . ARG A 0 32 . 0.873 5.723 -8.864 1.00 83.23 32 A 1 ATOM 279 C C . ARG A 0 32 . 2.289 6.159 -9.232 1.00 83.23 32 A 1 ATOM 280 C CB . ARG A 0 32 . -0.125 6.890 -8.914 1.00 83.23 32 A 1 ATOM 281 O O . ARG A 0 32 . 2.681 5.994 -10.377 1.00 83.23 32 A 1 ATOM 282 C CG . ARG A 0 32 . -0.170 7.540 -10.300 1.00 83.23 32 A 1 ATOM 283 C CD . ARG A 0 32 . -1.217 8.656 -10.363 1.00 83.23 32 A 1 ATOM 284 N NE . ARG A 0 32 . -1.246 9.286 -11.700 1.00 83.23 32 A 1 ATOM 285 N NH1 . ARG A 0 32 . 0.460 10.802 -11.395 1.00 83.23 32 A 1 ATOM 286 N NH2 . ARG A 0 32 . -0.560 10.671 -13.374 1.00 83.23 32 A 1 ATOM 287 C CZ . ARG A 0 32 . -0.455 10.251 -12.144 1.00 83.23 32 A 1 ATOM 288 N N . SER A 0 33 . 3.055 6.706 -8.292 1.00 81.52 33 A 1 ATOM 289 C CA . SER A 0 33 . 4.448 7.101 -8.537 1.00 81.52 33 A 1 ATOM 290 C C . SER A 0 33 . 5.340 5.879 -8.768 1.00 81.52 33 A 1 ATOM 291 C CB . SER A 0 33 . 4.983 7.951 -7.383 1.00 81.52 33 A 1 ATOM 292 O O . SER A 0 33 . 6.144 5.886 -9.696 1.00 81.52 33 A 1 ATOM 293 O OG . SER A 0 33 . 4.159 9.089 -7.207 1.00 81.52 33 A 1 ATOM 294 N N . CYS A 0 34 . 5.143 4.804 -8.000 1.00 74.87 34 A 1 ATOM 295 C CA . CYS A 0 34 . 5.818 3.523 -8.214 1.00 74.87 34 A 1 ATOM 296 C C . CYS A 0 34 . 5.477 2.910 -9.581 1.00 74.87 34 A 1 ATOM 297 C CB . CYS A 0 34 . 5.436 2.564 -7.077 1.00 74.87 34 A 1 ATOM 298 O O . CYS A 0 34 . 6.369 2.423 -10.263 1.00 74.87 34 A 1 ATOM 299 S SG . CYS A 0 34 . 6.131 3.139 -5.501 1.00 74.87 34 A 1 ATOM 300 N N . LEU A 0 35 . 4.209 2.982 -10.001 1.00 71.61 35 A 1 ATOM 301 C CA . LEU A 0 35 . 3.731 2.458 -11.285 1.00 71.61 35 A 1 ATOM 302 C C . LEU A 0 35 . 4.057 3.354 -12.490 1.00 71.61 35 A 1 ATOM 303 C CB . LEU A 0 35 . 2.210 2.236 -11.212 1.00 71.61 35 A 1 ATOM 304 O O . LEU A 0 35 . 3.954 2.913 -13.627 1.00 71.61 35 A 1 ATOM 305 C CG . LEU A 0 35 . 1.745 1.100 -10.285 1.00 71.61 35 A 1 ATOM 306 C CD1 . LEU A 0 35 . 0.218 1.133 -10.197 1.00 71.61 35 A 1 ATOM 307 C CD2 . LEU A 0 35 . 2.164 -0.279 -10.790 1.00 71.61 35 A 1 ATOM 308 N N . LEU A 0 36 . 4.395 4.625 -12.293 1.00 67.32 36 A 1 ATOM 309 C CA . LEU A 0 36 . 4.797 5.505 -13.396 1.00 67.32 36 A 1 ATOM 310 C C . LEU A 0 36 . 6.312 5.547 -13.586 1.00 67.32 36 A 1 ATOM 311 C CB . LEU A 0 36 . 4.187 6.896 -13.203 1.00 67.32 36 A 1 ATOM 312 O O . LEU A 0 36 . 6.767 5.859 -14.683 1.00 67.32 36 A 1 ATOM 313 C CG . LEU A 0 36 . 2.671 6.921 -13.467 1.00 67.32 36 A 1 ATOM 314 C CD1 . LEU A 0 36 . 2.123 8.281 -13.046 1.00 67.32 36 A 1 ATOM 315 C CD2 . LEU A 0 36 . 2.304 6.730 -14.942 1.00 67.32 36 A 1 ATOM 316 N N . ASN A 0 37 . 7.087 5.173 -12.567 1.00 64.26 37 A 1 ATOM 317 C CA . ASN A 0 37 . 8.490 4.815 -12.741 1.00 64.26 37 A 1 ATOM 318 C C . ASN A 0 37 . 8.565 3.386 -13.291 1.00 64.26 37 A 1 ATOM 319 C CB . ASN A 0 37 . 9.258 5.008 -11.414 1.00 64.26 37 A 1 ATOM 320 O O . ASN A 0 37 . 8.671 2.416 -12.543 1.00 64.26 37 A 1 ATOM 321 C CG . ASN A 0 37 . 10.141 6.243 -11.394 1.00 64.26 37 A 1 ATOM 322 N ND2 . ASN A 0 37 . 10.741 6.540 -10.267 1.00 64.26 37 A 1 ATOM 323 O OD1 . ASN A 0 37 . 10.333 6.950 -12.366 1.00 64.26 37 A 1 ATOM 324 N N . THR A 0 38 . 8.497 3.260 -14.616 1.00 57.03 38 A 1 ATOM 325 C CA . THR A 0 38 . 8.578 1.980 -15.340 1.00 57.03 38 A 1 ATOM 326 C C . THR A 0 38 . 9.813 1.150 -14.984 1.00 57.03 38 A 1 ATOM 327 C CB . THR A 0 38 . 8.545 2.219 -16.857 1.00 57.03 38 A 1 ATOM 328 O O . THR A 0 38 . 9.739 -0.075 -15.035 1.00 57.03 38 A 1 ATOM 329 C CG2 . THR A 0 38 . 7.130 2.585 -17.310 1.00 57.03 38 A 1 ATOM 330 O OG1 . THR A 0 38 . 9.386 3.293 -17.222 1.00 57.03 38 A 1 ATOM 331 N N . ASP A 0 39 . 10.902 1.790 -14.550 1.00 59.60 39 A 1 ATOM 332 C CA . ASP A 0 39 . 12.120 1.102 -14.107 1.00 59.60 39 A 1 ATOM 333 C C . ASP A 0 39 . 11.922 0.355 -12.775 1.00 59.60 39 A 1 ATOM 334 C CB . ASP A 0 39 . 13.277 2.114 -14.031 1.00 59.60 39 A 1 ATOM 335 O O . ASP A 0 39 . 12.366 -0.780 -12.635 1.00 59.60 39 A 1 ATOM 336 C CG . ASP A 0 39 . 13.641 2.706 -15.401 1.00 59.60 39 A 1 ATOM 337 O OD1 . ASP A 0 39 . 13.441 2.009 -16.422 1.00 59.60 39 A 1 ATOM 338 O OD2 . ASP A 0 39 . 14.061 3.883 -15.424 1.00 59.60 39 A 1 ATOM 339 N N . ASN A 0 40 . 11.152 0.919 -11.835 1.00 57.63 40 A 1 ATOM 340 C CA . ASN A 0 40 . 10.837 0.260 -10.558 1.00 57.63 40 A 1 ATOM 341 C C . ASN A 0 40 . 9.707 -0.766 -10.689 1.00 57.63 40 A 1 ATOM 342 C CB . ASN A 0 40 . 10.445 1.314 -9.510 1.00 57.63 40 A 1 ATOM 343 O O . ASN A 0 40 . 9.561 -1.641 -9.845 1.00 57.63 40 A 1 ATOM 344 C CG . ASN A 0 40 . 11.619 2.097 -8.958 1.00 57.63 40 A 1 ATOM 345 N ND2 . ASN A 0 40 . 11.364 3.017 -8.057 1.00 57.63 40 A 1 ATOM 346 O OD1 . ASN A 0 40 . 12.770 1.929 -9.295 1.00 57.63 40 A 1 ATOM 347 N N . LEU A 0 41 . 8.874 -0.658 -11.721 1.00 57.37 41 A 1 ATOM 348 C CA . LEU A 0 41 . 7.718 -1.531 -11.931 1.00 57.37 41 A 1 ATOM 349 C C . LEU A 0 41 . 8.135 -2.981 -12.174 1.00 57.37 41 A 1 ATOM 350 C CB . LEU A 0 41 . 6.937 -0.972 -13.127 1.00 57.37 41 A 1 ATOM 351 O O . LEU A 0 41 . 7.487 -3.898 -11.672 1.00 57.37 41 A 1 ATOM 352 C CG . LEU A 0 41 . 5.454 -0.749 -12.833 1.00 57.37 41 A 1 ATOM 353 C CD1 . LEU A 0 41 . 4.918 0.190 -13.894 1.00 57.37 41 A 1 ATOM 354 C CD2 . LEU A 0 41 . 4.633 -2.026 -12.913 1.00 57.37 41 A 1 ATOM 355 N N . ARG A 0 42 . 9.235 -3.179 -12.911 1.00 61.12 42 A 1 ATOM 356 C CA . ARG A 0 42 . 9.818 -4.505 -13.117 1.00 61.12 42 A 1 ATOM 357 C C . ARG A 0 42 . 10.295 -5.092 -11.796 1.00 61.12 42 A 1 ATOM 358 C CB . ARG A 0 42 . 10.942 -4.435 -14.158 1.00 61.12 42 A 1 ATOM 359 O O . ARG A 0 42 . 9.943 -6.218 -11.511 1.00 61.12 42 A 1 ATOM 360 C CG . ARG A 0 42 . 11.441 -5.842 -14.519 1.00 61.12 42 A 1 ATOM 361 C CD . ARG A 0 42 . 12.511 -5.769 -15.609 1.00 61.12 42 A 1 ATOM 362 N NE . ARG A 0 42 . 12.945 -7.118 -16.012 1.00 61.12 42 A 1 ATOM 363 N NH1 . ARG A 0 42 . 14.446 -6.482 -17.625 1.00 61.12 42 A 1 ATOM 364 N NH2 . ARG A 0 42 . 14.153 -8.655 -17.169 1.00 61.12 42 A 1 ATOM 365 C CZ . ARG A 0 42 . 13.840 -7.412 -16.935 1.00 61.12 42 A 1 ATOM 366 N N . GLU A 0 43 . 11.007 -4.323 -10.984 1.00 60.50 43 A 1 ATOM 367 C CA . GLU A 0 43 . 11.596 -4.793 -9.724 1.00 60.50 43 A 1 ATOM 368 C C . GLU A 0 43 . 10.554 -4.974 -8.602 1.00 60.50 43 A 1 ATOM 369 C CB . GLU A 0 43 . 12.703 -3.790 -9.367 1.00 60.50 43 A 1 ATOM 370 O O . GLU A 0 43 . 10.678 -5.863 -7.769 1.00 60.50 43 A 1 ATOM 371 C CG . GLU A 0 43 . 13.830 -4.368 -8.503 1.00 60.50 43 A 1 ATOM 372 C CD . GLU A 0 43 . 15.117 -3.530 -8.626 1.00 60.50 43 A 1 ATOM 373 O OE1 . GLU A 0 43 . 16.210 -4.121 -8.479 1.00 60.50 43 A 1 ATOM 374 O OE2 . GLU A 0 43 . 15.009 -2.310 -8.892 1.00 60.50 43 A 1 ATOM 375 N N . VAL A 0 44 . 9.471 -4.188 -8.615 1.00 61.77 44 A 1 ATOM 376 C CA . VAL A 0 44 . 8.338 -4.325 -7.683 1.00 61.77 44 A 1 ATOM 377 C C . VAL A 0 44 . 7.425 -5.501 -8.053 1.00 61.77 44 A 1 ATOM 378 C CB . VAL A 0 44 . 7.549 -2.999 -7.602 1.00 61.77 44 A 1 ATOM 379 O O . VAL A 0 44 . 6.906 -6.161 -7.155 1.00 61.77 44 A 1 ATOM 380 C CG1 . VAL A 0 44 . 6.225 -3.113 -6.831 1.00 61.77 44 A 1 ATOM 381 C CG2 . VAL A 0 44 . 8.368 -1.910 -6.892 1.00 61.77 44 A 1 ATOM 382 N N . LEU A 0 45 . 7.191 -5.766 -9.346 1.00 64.28 45 A 1 ATOM 383 C CA . LEU A 0 45 . 6.353 -6.893 -9.795 1.00 64.28 45 A 1 ATOM 384 C C . LEU A 0 45 . 7.129 -8.210 -9.934 1.00 64.28 45 A 1 ATOM 385 C CB . LEU A 0 45 . 5.672 -6.557 -11.132 1.00 64.28 45 A 1 ATOM 386 O O . LEU A 0 45 . 6.548 -9.274 -9.744 1.00 64.28 45 A 1 ATOM 387 C CG . LEU A 0 45 . 4.607 -5.449 -11.081 1.00 64.28 45 A 1 ATOM 388 C CD1 . LEU A 0 45 . 4.062 -5.236 -12.495 1.00 64.28 45 A 1 ATOM 389 C CD2 . LEU A 0 45 . 3.420 -5.803 -10.182 1.00 64.28 45 A 1 ATOM 390 N N . TYR A 0 46 . 8.413 -8.129 -10.273 1.00 62.19 46 A 1 ATOM 391 C CA . TYR A 0 46 . 9.342 -9.240 -10.469 1.00 62.19 46 A 1 ATOM 392 C C . TYR A 0 46 . 10.693 -8.874 -9.836 1.00 62.19 46 A 1 ATOM 393 C CB . TYR A 0 46 . 9.496 -9.545 -11.967 1.00 62.19 46 A 1 ATOM 394 O O . TYR A 0 46 . 11.607 -8.426 -10.536 1.00 62.19 46 A 1 ATOM 395 C CG . TYR A 0 46 . 8.249 -10.102 -12.614 1.00 62.19 46 A 1 ATOM 396 C CD1 . TYR A 0 46 . 8.011 -11.488 -12.578 1.00 62.19 46 A 1 ATOM 397 C CD2 . TYR A 0 46 . 7.328 -9.239 -13.237 1.00 62.19 46 A 1 ATOM 398 C CE1 . TYR A 0 46 . 6.849 -12.017 -13.167 1.00 62.19 46 A 1 ATOM 399 C CE2 . TYR A 0 46 . 6.160 -9.762 -13.823 1.00 62.19 46 A 1 ATOM 400 O OH . TYR A 0 46 . 4.796 -11.660 -14.354 1.00 62.19 46 A 1 ATOM 401 C CZ . TYR A 0 46 . 5.922 -11.155 -13.785 1.00 62.19 46 A 1 ATOM 402 N N . PRO A 0 47 . 10.826 -9.020 -8.507 1.00 60.64 47 A 1 ATOM 403 C CA . PRO A 0 47 . 12.098 -8.801 -7.835 1.00 60.64 47 A 1 ATOM 404 C C . PRO A 0 47 . 13.143 -9.742 -8.437 1.00 60.64 47 A 1 ATOM 405 C CB . PRO A 0 47 . 11.850 -9.065 -6.343 1.00 60.64 47 A 1 ATOM 406 O O . PRO A 0 47 . 12.913 -10.948 -8.518 1.00 60.64 47 A 1 ATOM 407 C CG . PRO A 0 47 . 10.328 -9.003 -6.203 1.00 60.64 47 A 1 ATOM 408 C CD . PRO A 0 47 . 9.810 -9.450 -7.563 1.00 60.64 47 A 1 ATOM 409 N N . SER A 0 48 . 14.288 -9.198 -8.855 1.00 64.08 48 A 1 ATOM 410 C CA . SER A 0 48 . 15.394 -9.968 -9.452 1.00 64.08 48 A 1 ATOM 411 C C . SER A 0 48 . 15.933 -11.064 -8.524 1.00 64.08 48 A 1 ATOM 412 C CB . SER A 0 48 . 16.526 -9.011 -9.833 1.00 64.08 48 A 1 ATOM 413 O O . SER A 0 48 . 16.526 -12.031 -8.986 1.00 64.08 48 A 1 ATOM 414 O OG . SER A 0 48 . 16.918 -8.254 -8.700 1.00 64.08 48 A 1 ATOM 415 N N . GLU A 0 49 . 15.637 -10.958 -7.227 1.00 62.80 49 A 1 ATOM 416 C CA . GLU A 0 49 . 15.882 -11.959 -6.184 1.00 62.80 49 A 1 ATOM 417 C C . GLU A 0 49 . 15.276 -13.343 -6.493 1.00 62.80 49 A 1 ATOM 418 C CB . GLU A 0 49 . 15.289 -11.442 -4.854 1.00 62.80 49 A 1 ATOM 419 O O . GLU A 0 49 . 15.666 -14.333 -5.878 1.00 62.80 49 A 1 ATOM 420 C CG . GLU A 0 49 . 15.637 -9.978 -4.517 1.00 62.80 49 A 1 ATOM 421 C CD . GLU A 0 49 . 15.082 -9.507 -3.161 1.00 62.80 49 A 1 ATOM 422 O OE1 . GLU A 0 49 . 14.835 -8.286 -3.029 1.00 62.80 49 A 1 ATOM 423 O OE2 . GLU A 0 49 . 14.920 -10.346 -2.244 1.00 62.80 49 A 1 ATOM 424 N N . PHE A 0 50 . 14.325 -13.425 -7.432 1.00 59.74 50 A 1 ATOM 425 C CA . PHE A 0 50 . 13.683 -14.671 -7.860 1.00 59.74 50 A 1 ATOM 426 C C . PHE A 0 50 . 14.158 -15.198 -9.227 1.00 59.74 50 A 1 ATOM 427 C CB . PHE A 0 50 . 12.158 -14.484 -7.823 1.00 59.74 50 A 1 ATOM 428 O O . PHE A 0 50 . 13.710 -16.274 -9.621 1.00 59.74 50 A 1 ATOM 429 C CG . PHE A 0 50 . 11.600 -14.202 -6.441 1.00 59.74 50 A 1 ATOM 430 C CD1 . PHE A 0 50 . 11.475 -15.246 -5.506 1.00 59.74 50 A 1 ATOM 431 C CD2 . PHE A 0 50 . 11.226 -12.896 -6.079 1.00 59.74 50 A 1 ATOM 432 C CE1 . PHE A 0 50 . 10.975 -14.987 -4.217 1.00 59.74 50 A 1 ATOM 433 C CE2 . PHE A 0 50 . 10.735 -12.633 -4.787 1.00 59.74 50 A 1 ATOM 434 C CZ . PHE A 0 50 . 10.607 -13.678 -3.857 1.00 59.74 50 A 1 ATOM 435 N N . ASP A 0 51 . 15.045 -14.485 -9.933 1.00 59.70 51 A 1 ATOM 436 C CA . ASP A 0 51 . 15.585 -14.903 -11.243 1.00 59.70 51 A 1 ATOM 437 C C . ASP A 0 51 . 16.888 -15.736 -11.132 1.00 59.70 51 A 1 ATOM 438 C CB . ASP A 0 51 . 15.747 -13.676 -12.181 1.00 59.70 51 A 1 ATOM 439 O O . ASP A 0 51 . 17.359 -16.265 -12.137 1.00 59.70 51 A 1 ATOM 440 C CG . ASP A 0 51 . 14.531 -13.327 -13.067 1.00 59.70 51 A 1 ATOM 441 O OD1 . ASP A 0 51 . 13.623 -14.170 -13.248 1.00 59.70 51 A 1 ATOM 442 O OD2 . ASP A 0 51 . 14.527 -12.201 -13.632 1.00 59.70 51 A 1 ATOM 443 N N . ASP A 0 52 . 17.451 -15.919 -9.928 1.00 57.13 52 A 1 ATOM 444 C CA . ASP A 0 52 . 18.630 -16.774 -9.670 1.00 57.13 52 A 1 ATOM 445 C C . ASP A 0 52 . 18.248 -18.255 -9.401 1.00 57.13 52 A 1 ATOM 446 C CB . ASP A 0 52 . 19.510 -16.168 -8.547 1.00 57.13 52 A 1 ATOM 447 O O . ASP A 0 52 . 18.636 -18.844 -8.385 1.00 57.13 52 A 1 ATOM 448 C CG . ASP A 0 52 . 20.474 -15.050 -8.973 1.00 57.13 52 A 1 ATOM 449 O OD1 . ASP A 0 52 . 20.808 -14.945 -10.176 1.00 57.13 52 A 1 ATOM 450 O OD2 . ASP A 0 52 . 20.971 -14.353 -8.056 1.00 57.13 52 A 1 ATOM 451 N N . ILE A 0 53 . 17.478 -18.876 -10.308 1.00 51.94 53 A 1 ATOM 452 C CA . ILE A 0 53 . 17.235 -20.339 -10.337 1.00 51.94 53 A 1 ATOM 453 C C . ILE A 0 53 . 17.637 -20.925 -11.690 1.00 51.94 53 A 1 ATOM 454 C CB . ILE A 0 53 . 15.789 -20.712 -9.935 1.00 51.94 53 A 1 ATOM 455 O O . ILE A 0 53 . 17.130 -20.442 -12.726 1.00 51.94 53 A 1 ATOM 456 C CG1 . ILE A 0 53 . 15.431 -20.149 -8.540 1.00 51.94 53 A 1 ATOM 457 C CG2 . ILE A 0 53 . 15.635 -22.249 -9.950 1.00 51.94 53 A 1 ATOM 458 C CD1 . ILE A 0 53 . 14.008 -20.473 -8.063 1.00 51.94 53 A 1 ATOM 459 O OXT . ILE A 0 53 . 18.407 -21.912 -11.650 1.00 51.94 53 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 76.72 # loop_ _atom_type.symbol C N O S #