data_1MAG
# 
_entry.id   1MAG 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.290 
_audit_conform.dict_location   http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic 
# 
loop_
_database_2.database_id 
_database_2.database_code 
PDB   1MAG         
WWPDB D_1000174899 
# 
loop_
_pdbx_database_related.db_name 
_pdbx_database_related.db_id 
_pdbx_database_related.content_type 
_pdbx_database_related.details 
PDB 1TK2 unspecified 'CRYSTAL STRUCTURE OF GRAMICIDIN S COMPLEXED WITH ALKALINE PROTEINASE SAVINASE' 
PDB 2XDC unspecified 'CRYSTAL STRUCTURE OF GRAMICIDIN A FROM CRYSTALS GROWN IN A LIPID CUBIC PHASE.' 
PDB 1AV2 unspecified 'CRYSTAL STRUCTURE OF GRAMICIDIN A COMPLEXED WITH CESIUM CHLORIDE' 
PDB 1BDW unspecified 'CRYSTAL STRUCTURE OF GRAMICIDIN A FROM BACILLUS BREVIS' 
PDB 1C4D unspecified 'CRYSTAL STRUCTURE OF GRAMICIDIN A COMPLEXED WITH CESIUM CHLORIDE' 
PDB 1GMK unspecified 'CRYSTAL STRUCTURE OF GRAMICIDIN A COMPLRXED WITH POTASSIUM THIOCYANATE' 
PDB 1GRM unspecified 'SOLUTION STRUCTURE OF THE GRAMICIDIN A' 
PDB 1JNO unspecified 'SOLUTION STRUCTURE OF GRAMICIDIN A IN SODIUM DODECYL SULFATE MICELLES' 
PDB 1KQE unspecified 'SOLUTION STRUCTURE OF A LINKED SHORTENED GRAMICIDIN A IN BENZENE/ACETONE 10:1' 
PDB 1MIC unspecified 'SOLUTION STRUCTURE OF GRAMICIDIN A IN METHANOL IN THE PRESENCE OF CACL' 
PDB 1NG8 unspecified 'SOLUTION STRUCTURE OF GRAMICIDIN A (W15G) IN SODIUM DODECYL SULFATE MICELLES' 
PDB 1NRM unspecified 'SOLUTION STRUCTURE OF GRAMICIDIN A IN DODECYL PHOSPHOCHOLINE MICELLES' 
PDB 1NRU unspecified 'SOLUTION STRUCTURE OF GRAMICIDIN A IN DODECYL PHOSPHOCHOLINE MICELLES IN THE PRESENCE OF EXCESS NA+' 
PDB 1NT5 unspecified 'SOLUTION STRUCTURE OF GRAMICIDIN A (V1F) IN SODIUM DODECYL SULFATE MICELLES' 
PDB 1JO3 unspecified 'SOLUTION STRUCTURE OF GRAMICIDIN B IN SODIUM DODECYL SULFATE MICELLES' 
PDB 1JO4 unspecified 'SOLUTION STRUCTURE OF GRAMICIDIN C IN SODIUM DODECYL SULFATE MICELLES' 
PDB 1NT6 unspecified 'SOLUTION STRUCTURE OF F1-GRAMICIDIN C IN SODIUM DODECYL SULFATE MICELLES' 
PDB 1TKQ unspecified 
'SOLUTION STRUCTURE OF A LINKED UNSYMMETRIC GRAMICIDIN A IN A MEMBRANE-ISOELECTRICAL SOLVENTS MIXTURE, IN THE PRESENCE OF CSCL' 
PDB 1W5U unspecified 'CRYSTAL STRUCTURE OF GRAMICIDIN D IN ETHANOL' 
PDB 2IZQ unspecified 'CRYSTAL STRUCTURE OF GRAMICIDIN D COMPLEX WITH KI IN METHANOL' 
PDB 3L8L unspecified 'CRYSTAL STRUCTURE OF GRAMICIDIN D COMPLEX WITH NAI' 
PDB 1AL4 unspecified 'CRYSTAL STRUCTURE OF GRAMICIDIN D IN N-PROPANOL' 
PDB 1ALX unspecified 'CRYSTAL STRUCTURE OF GRAMICIDIN D IN METHANOL' 
PDB 1ALZ unspecified 'CRYSTAL STRUCTURE OF GRAMICIDIN D IN ETHANOL' 
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.entry_id                        1MAG 
_pdbx_database_status.recvd_initial_deposition_date   1996-06-06 
_pdbx_database_status.deposit_site                    ? 
_pdbx_database_status.process_site                    BNL 
_pdbx_database_status.SG_entry                        . 
_pdbx_database_status.pdb_format_compatible           Y 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.status_code_sf                  ? 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.methods_development_category    ? 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Ketchem, R.R.' 1 ? 
'Roux, B.'      2 ? 
'Cross, T.A.'   3 ? 
# 
loop_
_citation.id 
_citation.title 
_citation.journal_abbrev 
_citation.journal_volume 
_citation.page_first 
_citation.page_last 
_citation.year 
_citation.journal_id_ASTM 
_citation.country 
_citation.journal_id_ISSN 
_citation.journal_id_CSD 
_citation.book_publisher 
_citation.pdbx_database_id_PubMed 
_citation.pdbx_database_id_DOI 
primary 'Macromolecular Structural Elucidation with Solid-State NMR-Derived Orientational Constraints.'                           
J.Biomol.NMR                                                                    8   1     ? 1996 JBNME9 NE 0925-2738     0800 ? 
8810522 10.1007/BF00198135      
1       'Computational Refinement Through Solid State NMR and Energy Constraints of a Membrane Bound Polypeptide'                 
'Biological Membranes: A Molecular Perspective from Computation and Experiment' ?   299   ? 1996 ?      ?  0-8176-3827-X ?    
'Boston : Birkhauser' ?       ?                       
2       'Lipid-Peptide Interface: Valine Conformation and Dynamics in the Gramicidin Channel'                                     
Biochemistry                                                                    34  857   ? 1995 BICHAW US 0006-2960     0033 ? 
7530046 10.1021/BI00003A020     
3       'Tryptophan Dynamics and Structural Refinement in a Lipid Bilayer Environment: Solid State NMR of the Gramicidin Channel' 
Biochemistry                                                                    34  14138 ? 1995 BICHAW US 0006-2960     0033 ? 
7578011 10.1021/BI00043A019     
4       'High-Resolution Conformation of Gramicidin a in a Lipid Bilayer by Solid-State NMR'                                      
Science                                                                         261 1457  ? 1993 SCIEAS US 0036-8075     0038 ? 
7690158 10.1126/science.7690158 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
primary 'Ketchem, R.R.' 1  
primary 'Lee, K.C.'     2  
primary 'Huo, S.'       3  
primary 'Cross, T.A.'   4  
1       'Ketchem, R.R.' 5  
1       'Roux, B.'      6  
1       'Cross, T.A.'   7  
2       'Lee, K.C.'     8  
2       'Huo, S.'       9  
2       'Cross, T.A.'   10 
3       'Hu, W.'        11 
3       'Lazo, N.D.'    12 
3       'Cross, T.A.'   13 
4       'Ketchem, R.R.' 14 
4       'Hu, W.'        15 
4       'Cross, T.A.'   16 
# 
loop_
_citation_editor.citation_id 
_citation_editor.name 
_citation_editor.ordinal 
1 'Merz Junior, K.M.' 1 
1 'Roux, B.'          2 
# 
_cell.entry_id           1MAG 
_cell.length_a           1.000 
_cell.length_b           1.000 
_cell.length_c           1.000 
_cell.angle_alpha        90.00 
_cell.angle_beta         90.00 
_cell.angle_gamma        90.00 
_cell.Z_PDB              1 
_cell.pdbx_unique_axis   ? 
# 
_symmetry.entry_id                         1MAG 
_symmetry.space_group_name_H-M             'P 1' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                1 
# 
_entity.id                         1 
_entity.type                       polymer 
_entity.src_method                 man 
_entity.pdbx_description           'GRAMICIDIN A' 
_entity.formula_weight             1882.294 
_entity.pdbx_number_of_molecules   2 
_entity.pdbx_ec                    ? 
_entity.pdbx_mutation              ? 
_entity.pdbx_fragment              ? 
_entity.details                    ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        'VALYL GRAMICIDIN' 
# 
_entity_poly.entity_id                      1 
_entity_poly.type                           'polypeptide(L)' 
_entity_poly.nstd_linkage                   no 
_entity_poly.nstd_monomer                   yes 
_entity_poly.pdbx_seq_one_letter_code       '(FVA)GA(DLE)A(DVA)V(DVA)W(DLE)W(DLE)W(DLE)W(ETA)' 
_entity_poly.pdbx_seq_one_letter_code_can   VGALAVVVWLWLWLWX 
_entity_poly.pdbx_strand_id                 A,B 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1  FVA n 
1 2  GLY n 
1 3  ALA n 
1 4  DLE n 
1 5  ALA n 
1 6  DVA n 
1 7  VAL n 
1 8  DVA n 
1 9  TRP n 
1 10 DLE n 
1 11 TRP n 
1 12 DLE n 
1 13 TRP n 
1 14 DLE n 
1 15 TRP n 
1 16 ETA n 
# 
_entity_src_gen.entity_id                          1 
_entity_src_gen.pdbx_src_id                        1 
_entity_src_gen.pdbx_alt_source_flag               sample 
_entity_src_gen.pdbx_seq_type                      ? 
_entity_src_gen.pdbx_beg_seq_num                   ? 
_entity_src_gen.pdbx_end_seq_num                   ? 
_entity_src_gen.gene_src_common_name               ? 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 ? 
_entity_src_gen.gene_src_species                   ? 
_entity_src_gen.gene_src_strain                    ? 
_entity_src_gen.gene_src_tissue                    ? 
_entity_src_gen.gene_src_tissue_fraction           ? 
_entity_src_gen.gene_src_details                   ? 
_entity_src_gen.pdbx_gene_src_fragment             ? 
_entity_src_gen.pdbx_gene_src_scientific_name      'BREVIBACILLUS BREVIS' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     1393 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      ? 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     ? 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    NOR 
_struct_ref.db_code                    NOR00243 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   ? 
_struct_ref.pdbx_align_begin           ? 
_struct_ref.pdbx_db_accession          NOR00243 
_struct_ref.pdbx_db_isoform            ? 
# 
loop_
_struct_ref_seq.align_id 
_struct_ref_seq.ref_id 
_struct_ref_seq.pdbx_PDB_id_code 
_struct_ref_seq.pdbx_strand_id 
_struct_ref_seq.seq_align_beg 
_struct_ref_seq.pdbx_seq_align_beg_ins_code 
_struct_ref_seq.seq_align_end 
_struct_ref_seq.pdbx_seq_align_end_ins_code 
_struct_ref_seq.pdbx_db_accession 
_struct_ref_seq.db_align_beg 
_struct_ref_seq.pdbx_db_align_beg_ins_code 
_struct_ref_seq.db_align_end 
_struct_ref_seq.pdbx_db_align_end_ins_code 
_struct_ref_seq.pdbx_auth_seq_align_beg 
_struct_ref_seq.pdbx_auth_seq_align_end 
1 1 1MAG A 1 ? 16 ? NOR00243 1 ? 16 ? 1 16 
2 1 1MAG B 1 ? 16 ? NOR00243 1 ? 16 ? 1 16 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
ALA 'L-peptide linking'               y ALANINE           ? 'C3 H7 N O2'    89.093  
DLE 'D-peptide linking'               . D-LEUCINE         ? 'C6 H13 N O2'   131.173 
DVA 'D-peptide linking'               . D-VALINE          ? 'C5 H11 N O2'   117.146 
ETA 'L-peptide COOH carboxy terminus' . ETHANOLAMINE      ? 'C2 H7 N O'     61.083  
FVA 'L-peptide linking'               n N-formyl-L-valine ? 'C6 H11 N O3'   145.156 
GLY 'peptide linking'                 y GLYCINE           ? 'C2 H5 N O2'    75.067  
TRP 'L-peptide linking'               y TRYPTOPHAN        ? 'C11 H12 N2 O2' 204.225 
VAL 'L-peptide linking'               y VALINE            ? 'C5 H11 N O2'   117.146 
# 
loop_
_pdbx_nmr_exptl.experiment_id 
_pdbx_nmr_exptl.conditions_id 
_pdbx_nmr_exptl.type 
_pdbx_nmr_exptl.solution_id 
1 1 'SOLID STATE'     1 
2 1 'CROSS POLARIZED' 1 
# 
_pdbx_nmr_exptl_sample_conditions.conditions_id          1 
_pdbx_nmr_exptl_sample_conditions.temperature            303 
_pdbx_nmr_exptl_sample_conditions.pressure               ? 
_pdbx_nmr_exptl_sample_conditions.pH                     7.0 
_pdbx_nmr_exptl_sample_conditions.ionic_strength         ? 
_pdbx_nmr_exptl_sample_conditions.pressure_units         . 
_pdbx_nmr_exptl_sample_conditions.temperature_units      K 
_pdbx_nmr_exptl_sample_conditions.label                  ? 
_pdbx_nmr_exptl_sample_conditions.pH_units               ? 
_pdbx_nmr_exptl_sample_conditions.ionic_strength_units   ? 
# 
_pdbx_nmr_spectrometer.spectrometer_id   1 
_pdbx_nmr_spectrometer.model             CMX 
_pdbx_nmr_spectrometer.manufacturer      CHEMAGNETICS 
_pdbx_nmr_spectrometer.field_strength    400 
_pdbx_nmr_spectrometer.type              ? 
# 
_pdbx_nmr_refine.entry_id           1MAG 
_pdbx_nmr_refine.method             'simulated annealing' 
_pdbx_nmr_refine.details            
;CHARMM23 STRUCTURE REFINED WITH TORC (TOTAL REFINEMENT OF CONSTRAINTS), DEVELOPED IN AUTHORS' LAB. TORC RUNS AS A MODULE WITHIN CHARMM AND UTILIZES A SIMULATED ANNEALING PROTOCOL TO REFINE THE STRUCTURE AGAINST BOTH THE SOLID STATE NMR DATA (INCLUDING SOLID STATE NMR DERIVED ORIENTATIONAL CONSTRAINTS) AND THE CHARMM ENERGY.
;
_pdbx_nmr_refine.software_ordinal   1 
# 
_pdbx_nmr_ensemble.entry_id                             1MAG 
_pdbx_nmr_ensemble.conformers_calculated_total_number   ? 
_pdbx_nmr_ensemble.conformers_submitted_total_number    1 
_pdbx_nmr_ensemble.conformer_selection_criteria         ? 
# 
loop_
_pdbx_nmr_software.classification 
_pdbx_nmr_software.name 
_pdbx_nmr_software.version 
_pdbx_nmr_software.authors 
_pdbx_nmr_software.ordinal 
refinement           TORC ? KETCHEM,ROUX,CROSS 1 
'structure solution' TORC ? KETCHEM,ROUX,CROSS 2 
# 
_exptl.entry_id          1MAG 
_exptl.method            'SOLID-STATE NMR' 
_exptl.crystals_number   ? 
# 
_struct.entry_id                  1MAG 
_struct.title                     'GRAMICIDIN A IN HYDRATED DMPC BILAYERS, SOLID STATE NMR' 
_struct.pdbx_descriptor           'GRAMICIDIN A' 
_struct.pdbx_model_details        ? 
_struct.pdbx_CASP_flag            ? 
_struct.pdbx_model_type_details   ? 
# 
_struct_keywords.entry_id        1MAG 
_struct_keywords.pdbx_keywords   ANTIBIOTIC 
_struct_keywords.text            
'GRAMICIDIN, ANTIFUNGAL, ANTIBACTERIAL, ANTIBIOTIC, MEMBRANE ION CHANNEL, LINEAR GRAMICIDIN, ORIENTED BILAYERS' 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 1 ? 
# 
loop_
_struct_conn.id 
_struct_conn.conn_type_id 
_struct_conn.pdbx_leaving_atom_flag 
_struct_conn.pdbx_PDB_id 
_struct_conn.ptnr1_label_asym_id 
_struct_conn.ptnr1_label_comp_id 
_struct_conn.ptnr1_label_seq_id 
_struct_conn.ptnr1_label_atom_id 
_struct_conn.pdbx_ptnr1_label_alt_id 
_struct_conn.pdbx_ptnr1_PDB_ins_code 
_struct_conn.pdbx_ptnr1_standard_comp_id 
_struct_conn.ptnr1_symmetry 
_struct_conn.ptnr2_label_asym_id 
_struct_conn.ptnr2_label_comp_id 
_struct_conn.ptnr2_label_seq_id 
_struct_conn.ptnr2_label_atom_id 
_struct_conn.pdbx_ptnr2_label_alt_id 
_struct_conn.pdbx_ptnr2_PDB_ins_code 
_struct_conn.ptnr1_auth_asym_id 
_struct_conn.ptnr1_auth_comp_id 
_struct_conn.ptnr1_auth_seq_id 
_struct_conn.ptnr2_auth_asym_id 
_struct_conn.ptnr2_auth_comp_id 
_struct_conn.ptnr2_auth_seq_id 
_struct_conn.ptnr2_symmetry 
_struct_conn.pdbx_ptnr3_label_atom_id 
_struct_conn.pdbx_ptnr3_label_seq_id 
_struct_conn.pdbx_ptnr3_label_comp_id 
_struct_conn.pdbx_ptnr3_label_asym_id 
_struct_conn.pdbx_ptnr3_label_alt_id 
_struct_conn.pdbx_ptnr3_PDB_ins_code 
_struct_conn.details 
_struct_conn.pdbx_dist_value 
_struct_conn.pdbx_value_order 
covale1  covale ? ? A FVA 1  C ? ? ? 1_555 A GLY 2  N ? ? A FVA 1  A GLY 2  1_555 ? ? ? ? ? ? ? 1.344 ? 
covale2  covale ? ? A ALA 3  C ? ? ? 1_555 A DLE 4  N ? ? A ALA 3  A DLE 4  1_555 ? ? ? ? ? ? ? 1.342 ? 
covale3  covale ? ? A DLE 4  C ? ? ? 1_555 A ALA 5  N ? ? A DLE 4  A ALA 5  1_555 ? ? ? ? ? ? ? 1.366 ? 
covale4  covale ? ? A ALA 5  C ? ? ? 1_555 A DVA 6  N ? ? A ALA 5  A DVA 6  1_555 ? ? ? ? ? ? ? 1.336 ? 
covale5  covale ? ? A DVA 6  C ? ? ? 1_555 A VAL 7  N ? ? A DVA 6  A VAL 7  1_555 ? ? ? ? ? ? ? 1.354 ? 
covale6  covale ? ? A VAL 7  C ? ? ? 1_555 A DVA 8  N ? ? A VAL 7  A DVA 8  1_555 ? ? ? ? ? ? ? 1.345 ? 
covale7  covale ? ? A DVA 8  C ? ? ? 1_555 A TRP 9  N ? ? A DVA 8  A TRP 9  1_555 ? ? ? ? ? ? ? 1.351 ? 
covale8  covale ? ? A TRP 9  C ? ? ? 1_555 A DLE 10 N ? ? A TRP 9  A DLE 10 1_555 ? ? ? ? ? ? ? 1.340 ? 
covale9  covale ? ? A DLE 10 C ? ? ? 1_555 A TRP 11 N ? ? A DLE 10 A TRP 11 1_555 ? ? ? ? ? ? ? 1.340 ? 
covale10 covale ? ? A TRP 11 C ? ? ? 1_555 A DLE 12 N ? ? A TRP 11 A DLE 12 1_555 ? ? ? ? ? ? ? 1.329 ? 
covale11 covale ? ? A DLE 12 C ? ? ? 1_555 A TRP 13 N ? ? A DLE 12 A TRP 13 1_555 ? ? ? ? ? ? ? 1.342 ? 
covale12 covale ? ? A TRP 13 C ? ? ? 1_555 A DLE 14 N ? ? A TRP 13 A DLE 14 1_555 ? ? ? ? ? ? ? 1.336 ? 
covale13 covale ? ? A DLE 14 C ? ? ? 1_555 A TRP 15 N ? ? A DLE 14 A TRP 15 1_555 ? ? ? ? ? ? ? 1.354 ? 
covale14 covale ? ? A TRP 15 C ? ? ? 1_555 A ETA 16 N ? ? A TRP 15 A ETA 16 1_555 ? ? ? ? ? ? ? 1.346 ? 
covale15 covale ? ? B FVA 1  C ? ? ? 1_555 B GLY 2  N ? ? B FVA 1  B GLY 2  1_555 ? ? ? ? ? ? ? 1.344 ? 
covale16 covale ? ? B ALA 3  C ? ? ? 1_555 B DLE 4  N ? ? B ALA 3  B DLE 4  1_555 ? ? ? ? ? ? ? 1.342 ? 
covale17 covale ? ? B DLE 4  C ? ? ? 1_555 B ALA 5  N ? ? B DLE 4  B ALA 5  1_555 ? ? ? ? ? ? ? 1.366 ? 
covale18 covale ? ? B ALA 5  C ? ? ? 1_555 B DVA 6  N ? ? B ALA 5  B DVA 6  1_555 ? ? ? ? ? ? ? 1.336 ? 
covale19 covale ? ? B DVA 6  C ? ? ? 1_555 B VAL 7  N ? ? B DVA 6  B VAL 7  1_555 ? ? ? ? ? ? ? 1.354 ? 
covale20 covale ? ? B VAL 7  C ? ? ? 1_555 B DVA 8  N ? ? B VAL 7  B DVA 8  1_555 ? ? ? ? ? ? ? 1.345 ? 
covale21 covale ? ? B DVA 8  C ? ? ? 1_555 B TRP 9  N ? ? B DVA 8  B TRP 9  1_555 ? ? ? ? ? ? ? 1.351 ? 
covale22 covale ? ? B TRP 9  C ? ? ? 1_555 B DLE 10 N ? ? B TRP 9  B DLE 10 1_555 ? ? ? ? ? ? ? 1.340 ? 
covale23 covale ? ? B DLE 10 C ? ? ? 1_555 B TRP 11 N ? ? B DLE 10 B TRP 11 1_555 ? ? ? ? ? ? ? 1.340 ? 
covale24 covale ? ? B TRP 11 C ? ? ? 1_555 B DLE 12 N ? ? B TRP 11 B DLE 12 1_555 ? ? ? ? ? ? ? 1.329 ? 
covale25 covale ? ? B DLE 12 C ? ? ? 1_555 B TRP 13 N ? ? B DLE 12 B TRP 13 1_555 ? ? ? ? ? ? ? 1.342 ? 
covale26 covale ? ? B TRP 13 C ? ? ? 1_555 B DLE 14 N ? ? B TRP 13 B DLE 14 1_555 ? ? ? ? ? ? ? 1.336 ? 
covale27 covale ? ? B DLE 14 C ? ? ? 1_555 B TRP 15 N ? ? B DLE 14 B TRP 15 1_555 ? ? ? ? ? ? ? 1.354 ? 
covale28 covale ? ? B TRP 15 C ? ? ? 1_555 B ETA 16 N ? ? B TRP 15 B ETA 16 1_555 ? ? ? ? ? ? ? 1.346 ? 
# 
_struct_conn_type.id          covale 
_struct_conn_type.criteria    ? 
_struct_conn_type.reference   ? 
# 
_struct_sheet.id               AA 
_struct_sheet.type             ? 
_struct_sheet.number_strands   2 
_struct_sheet.details          ? 
# 
_struct_sheet_order.sheet_id     AA 
_struct_sheet_order.range_id_1   1 
_struct_sheet_order.range_id_2   2 
_struct_sheet_order.offset       ? 
_struct_sheet_order.sense        anti-parallel 
# 
loop_
_struct_sheet_range.sheet_id 
_struct_sheet_range.id 
_struct_sheet_range.beg_label_comp_id 
_struct_sheet_range.beg_label_asym_id 
_struct_sheet_range.beg_label_seq_id 
_struct_sheet_range.pdbx_beg_PDB_ins_code 
_struct_sheet_range.end_label_comp_id 
_struct_sheet_range.end_label_asym_id 
_struct_sheet_range.end_label_seq_id 
_struct_sheet_range.pdbx_end_PDB_ins_code 
_struct_sheet_range.beg_auth_comp_id 
_struct_sheet_range.beg_auth_asym_id 
_struct_sheet_range.beg_auth_seq_id 
_struct_sheet_range.end_auth_comp_id 
_struct_sheet_range.end_auth_asym_id 
_struct_sheet_range.end_auth_seq_id 
AA 1 GLY A 2 ? TRP A 15 ? GLY A 2 TRP A 15 
AA 2 GLY B 2 ? TRP B 15 ? GLY B 2 TRP B 15 
# 
_pdbx_struct_sheet_hbond.sheet_id                AA 
_pdbx_struct_sheet_hbond.range_id_1              1 
_pdbx_struct_sheet_hbond.range_id_2              2 
_pdbx_struct_sheet_hbond.range_1_label_atom_id   N 
_pdbx_struct_sheet_hbond.range_1_label_comp_id   ALA 
_pdbx_struct_sheet_hbond.range_1_label_asym_id   A 
_pdbx_struct_sheet_hbond.range_1_label_seq_id    3 
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code    ? 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id    N 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id    ALA 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id    A 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id     3 
_pdbx_struct_sheet_hbond.range_2_label_atom_id   O 
_pdbx_struct_sheet_hbond.range_2_label_comp_id   ALA 
_pdbx_struct_sheet_hbond.range_2_label_asym_id   B 
_pdbx_struct_sheet_hbond.range_2_label_seq_id    3 
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code    ? 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id    O 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id    ALA 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id    B 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id     3 
# 
loop_
_struct_site.id 
_struct_site.pdbx_evidence_code 
_struct_site.pdbx_auth_asym_id 
_struct_site.pdbx_auth_comp_id 
_struct_site.pdbx_auth_seq_id 
_struct_site.pdbx_auth_ins_code 
_struct_site.pdbx_num_residues 
_struct_site.details 
AC1 Software ? ? ? ? 3 'BINDING SITE FOR CHAIN A OF GRAMICIDIN A' 
AC2 Software ? ? ? ? 3 'BINDING SITE FOR CHAIN B OF GRAMICIDIN A' 
# 
loop_
_struct_site_gen.id 
_struct_site_gen.site_id 
_struct_site_gen.pdbx_num_res 
_struct_site_gen.label_comp_id 
_struct_site_gen.label_asym_id 
_struct_site_gen.label_seq_id 
_struct_site_gen.pdbx_auth_ins_code 
_struct_site_gen.auth_comp_id 
_struct_site_gen.auth_asym_id 
_struct_site_gen.auth_seq_id 
_struct_site_gen.label_atom_id 
_struct_site_gen.label_alt_id 
_struct_site_gen.symmetry 
_struct_site_gen.details 
1 AC1 3 GLY B 2 ? GLY B 2 . ? 1_555 ? 
2 AC1 3 ALA B 3 ? ALA B 3 . ? 1_555 ? 
3 AC1 3 ALA B 5 ? ALA B 5 . ? 1_555 ? 
4 AC2 3 GLY A 2 ? GLY A 2 . ? 1_555 ? 
5 AC2 3 ALA A 3 ? ALA A 3 . ? 1_555 ? 
6 AC2 3 ALA A 5 ? ALA A 5 . ? 1_555 ? 
# 
_database_PDB_matrix.entry_id          1MAG 
_database_PDB_matrix.origx[1][1]       1.000000 
_database_PDB_matrix.origx[1][2]       0.000000 
_database_PDB_matrix.origx[1][3]       0.000000 
_database_PDB_matrix.origx[2][1]       0.000000 
_database_PDB_matrix.origx[2][2]       1.000000 
_database_PDB_matrix.origx[2][3]       0.000000 
_database_PDB_matrix.origx[3][1]       0.000000 
_database_PDB_matrix.origx[3][2]       0.000000 
_database_PDB_matrix.origx[3][3]       1.000000 
_database_PDB_matrix.origx_vector[1]   0.00000 
_database_PDB_matrix.origx_vector[2]   0.00000 
_database_PDB_matrix.origx_vector[3]   0.00000 
# 
_atom_sites.entry_id                    1MAG 
_atom_sites.fract_transf_matrix[1][1]   1.000000 
_atom_sites.fract_transf_matrix[1][2]   0.000000 
_atom_sites.fract_transf_matrix[1][3]   0.000000 
_atom_sites.fract_transf_matrix[2][1]   0.000000 
_atom_sites.fract_transf_matrix[2][2]   1.000000 
_atom_sites.fract_transf_matrix[2][3]   0.000000 
_atom_sites.fract_transf_matrix[3][1]   0.000000 
_atom_sites.fract_transf_matrix[3][2]   0.000000 
_atom_sites.fract_transf_matrix[3][3]   1.000000 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
# 
loop_
_atom_type.symbol 
C 
H 
N 
O 
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
HETATM 1   C C    . FVA A 1 1  ? -0.920 -3.596 -2.797  1.00 0.00 ? 1  FVA A C    1 
HETATM 2   N N    . FVA A 1 1  ? -3.043 -2.601 -3.416  1.00 0.00 ? 1  FVA A N    1 
HETATM 3   O O    . FVA A 1 1  ? -0.385 -3.961 -3.851  1.00 0.00 ? 1  FVA A O    1 
HETATM 4   C CA   . FVA A 1 1  ? -2.415 -3.640 -2.601  1.00 0.00 ? 1  FVA A CA   1 
HETATM 5   C CB   . FVA A 1 1  ? -2.919 -5.045 -2.884  1.00 0.00 ? 1  FVA A CB   1 
HETATM 6   C CG1  . FVA A 1 1  ? -2.163 -6.141 -2.056  1.00 0.00 ? 1  FVA A CG1  1 
HETATM 7   C CG2  . FVA A 1 1  ? -4.427 -5.132 -2.644  1.00 0.00 ? 1  FVA A CG2  1 
HETATM 8   H H    . FVA A 1 1  ? -2.760 -2.649 -4.381  1.00 0.00 ? 1  FVA A H    1 
HETATM 9   H HA   . FVA A 1 1  ? -2.651 -3.401 -1.570  1.00 0.00 ? 1  FVA A HA   1 
HETATM 10  H HB   . FVA A 1 1  ? -2.542 -5.494 -3.836  1.00 0.00 ? 1  FVA A HB   1 
HETATM 11  H HG11 . FVA A 1 1  ? -2.280 -5.946 -0.974  1.00 0.00 ? 1  FVA A HG11 1 
HETATM 12  H HG12 . FVA A 1 1  ? -2.578 -7.146 -2.278  1.00 0.00 ? 1  FVA A HG12 1 
HETATM 13  H HG13 . FVA A 1 1  ? -1.080 -6.174 -2.292  1.00 0.00 ? 1  FVA A HG13 1 
HETATM 14  O O1   . FVA A 1 1  ? -3.774 -1.363 -1.586  1.00 0.00 ? 1  FVA A O1   1 
HETATM 15  H HG21 . FVA A 1 1  ? -4.671 -4.794 -1.613  1.00 0.00 ? 1  FVA A HG21 1 
HETATM 16  C CN   . FVA A 1 1  ? -3.690 -1.575 -2.801  1.00 0.00 ? 1  FVA A CN   1 
HETATM 17  H HG22 . FVA A 1 1  ? -4.985 -4.505 -3.373  1.00 0.00 ? 1  FVA A HG22 1 
HETATM 18  H HG23 . FVA A 1 1  ? -4.766 -6.182 -2.771  1.00 0.00 ? 1  FVA A HG23 1 
HETATM 19  H HN   . FVA A 1 1  ? -4.305 -1.047 -3.545  1.00 0.00 ? 1  FVA A HN   1 
ATOM   20  N N    . GLY A 1 2  ? -0.150 -3.167 -1.782  1.00 0.00 ? 2  GLY A N    1 
ATOM   21  C CA   . GLY A 1 2  ? 1.289  -3.155 -2.035  1.00 0.00 ? 2  GLY A CA   1 
ATOM   22  C C    . GLY A 1 2  ? 2.025  -2.270 -1.112  1.00 0.00 ? 2  GLY A C    1 
ATOM   23  O O    . GLY A 1 2  ? 1.812  -2.330 0.088   1.00 0.00 ? 2  GLY A O    1 
ATOM   24  H H    . GLY A 1 2  ? -0.506 -2.978 -0.859  1.00 0.00 ? 2  GLY A H    1 
ATOM   25  H HA2  . GLY A 1 2  ? 1.662  -4.152 -1.871  1.00 0.00 ? 2  GLY A HA2  1 
ATOM   26  H HA3  . GLY A 1 2  ? 1.469  -2.805 -3.044  1.00 0.00 ? 2  GLY A HA3  1 
ATOM   27  N N    . ALA A 1 3  ? 2.946  -1.447 -1.648  1.00 0.00 ? 3  ALA A N    1 
ATOM   28  C CA   . ALA A 1 3  ? 3.658  -0.472 -0.863  1.00 0.00 ? 3  ALA A CA   1 
ATOM   29  C C    . ALA A 1 3  ? 3.238  0.933  -1.186  1.00 0.00 ? 3  ALA A C    1 
ATOM   30  O O    . ALA A 1 3  ? 2.854  1.232  -2.307  1.00 0.00 ? 3  ALA A O    1 
ATOM   31  C CB   . ALA A 1 3  ? 5.189  -0.621 -1.028  1.00 0.00 ? 3  ALA A CB   1 
ATOM   32  H H    . ALA A 1 3  ? 3.121  -1.437 -2.622  1.00 0.00 ? 3  ALA A H    1 
ATOM   33  H HA   . ALA A 1 3  ? 3.324  -0.632 0.123   1.00 0.00 ? 3  ALA A HA   1 
ATOM   34  H HB1  . ALA A 1 3  ? 5.500  -0.446 -2.076  1.00 0.00 ? 3  ALA A HB1  1 
ATOM   35  H HB2  . ALA A 1 3  ? 5.720  0.099  -0.362  1.00 0.00 ? 3  ALA A HB2  1 
ATOM   36  H HB3  . ALA A 1 3  ? 5.490  -1.640 -0.720  1.00 0.00 ? 3  ALA A HB3  1 
HETATM 37  N N    . DLE A 1 4  ? 3.285  1.836  -0.194  1.00 0.00 ? 4  DLE A N    1 
HETATM 38  C CA   . DLE A 1 4  ? 2.849  3.212  -0.533  1.00 0.00 ? 4  DLE A CA   1 
HETATM 39  C CB   . DLE A 1 4  ? 3.963  4.309  -0.404  1.00 0.00 ? 4  DLE A CB   1 
HETATM 40  C CG   . DLE A 1 4  ? 3.537  5.796  -0.165  1.00 0.00 ? 4  DLE A CG   1 
HETATM 41  C CD1  . DLE A 1 4  ? 4.599  6.606  0.570   1.00 0.00 ? 4  DLE A CD1  1 
HETATM 42  C CD2  . DLE A 1 4  ? 2.745  6.736  -1.102  1.00 0.00 ? 4  DLE A CD2  1 
HETATM 43  C C    . DLE A 1 4  ? 1.689  3.547  0.355   1.00 0.00 ? 4  DLE A C    1 
HETATM 44  O O    . DLE A 1 4  ? 1.794  3.381  1.563   1.00 0.00 ? 4  DLE A O    1 
HETATM 45  H H    . DLE A 1 4  ? 3.531  1.520  0.736   1.00 0.00 ? 4  DLE A H    1 
HETATM 46  H HA   . DLE A 1 4  ? 2.457  3.286  -1.536  1.00 0.00 ? 4  DLE A HA   1 
HETATM 47  H HB2  . DLE A 1 4  ? 4.518  4.015  0.522   1.00 0.00 ? 4  DLE A HB2  1 
HETATM 48  H HB3  . DLE A 1 4  ? 4.753  4.228  -1.171  1.00 0.00 ? 4  DLE A HB3  1 
HETATM 49  H HG   . DLE A 1 4  ? 2.653  5.695  0.507   1.00 0.00 ? 4  DLE A HG   1 
HETATM 50  H HD11 . DLE A 1 4  ? 5.173  5.930  1.216   1.00 0.00 ? 4  DLE A HD11 1 
HETATM 51  H HD12 . DLE A 1 4  ? 5.287  7.075  -0.164  1.00 0.00 ? 4  DLE A HD12 1 
HETATM 52  H HD13 . DLE A 1 4  ? 4.138  7.413  1.188   1.00 0.00 ? 4  DLE A HD13 1 
HETATM 53  H HD21 . DLE A 1 4  ? 1.813  6.245  -1.458  1.00 0.00 ? 4  DLE A HD21 1 
HETATM 54  H HD22 . DLE A 1 4  ? 2.463  7.683  -0.584  1.00 0.00 ? 4  DLE A HD22 1 
HETATM 55  H HD23 . DLE A 1 4  ? 3.356  6.985  -1.990  1.00 0.00 ? 4  DLE A HD23 1 
ATOM   56  N N    . ALA A 1 5  ? 0.581  4.093  -0.228  1.00 0.00 ? 5  ALA A N    1 
ATOM   57  C CA   . ALA A 1 5  ? -0.500 4.563  0.622   1.00 0.00 ? 5  ALA A CA   1 
ATOM   58  C C    . ALA A 1 5  ? -1.740 3.807  0.235   1.00 0.00 ? 5  ALA A C    1 
ATOM   59  O O    . ALA A 1 5  ? -2.151 3.790  -0.927  1.00 0.00 ? 5  ALA A O    1 
ATOM   60  C CB   . ALA A 1 5  ? -0.733 6.087  0.496   1.00 0.00 ? 5  ALA A CB   1 
ATOM   61  H H    . ALA A 1 5  ? 0.449  4.264  -1.205  1.00 0.00 ? 5  ALA A H    1 
ATOM   62  H HA   . ALA A 1 5  ? -0.264 4.239  1.616   1.00 0.00 ? 5  ALA A HA   1 
ATOM   63  H HB1  . ALA A 1 5  ? -0.913 6.351  -0.569  1.00 0.00 ? 5  ALA A HB1  1 
ATOM   64  H HB2  . ALA A 1 5  ? -1.609 6.404  1.097   1.00 0.00 ? 5  ALA A HB2  1 
ATOM   65  H HB3  . ALA A 1 5  ? 0.154  6.647  0.855   1.00 0.00 ? 5  ALA A HB3  1 
HETATM 66  N N    . DVA A 1 6  ? -2.405 3.140  1.183   1.00 0.00 ? 6  DVA A N    1 
HETATM 67  C CA   . DVA A 1 6  ? -3.630 2.432  0.830   1.00 0.00 ? 6  DVA A CA   1 
HETATM 68  C CB   . DVA A 1 6  ? -4.939 3.236  0.952   1.00 0.00 ? 6  DVA A CB   1 
HETATM 69  C CG1  . DVA A 1 6  ? -4.928 4.468  0.026   1.00 0.00 ? 6  DVA A CG1  1 
HETATM 70  C CG2  . DVA A 1 6  ? -6.143 2.365  0.518   1.00 0.00 ? 6  DVA A CG2  1 
HETATM 71  C C    . DVA A 1 6  ? -3.683 1.241  1.725   1.00 0.00 ? 6  DVA A C    1 
HETATM 72  O O    . DVA A 1 6  ? -3.748 1.403  2.940   1.00 0.00 ? 6  DVA A O    1 
HETATM 73  H H    . DVA A 1 6  ? -2.035 3.046  2.120   1.00 0.00 ? 6  DVA A H    1 
HETATM 74  H HA   . DVA A 1 6  ? -3.542 2.026  -0.172  1.00 0.00 ? 6  DVA A HA   1 
HETATM 75  H HB   . DVA A 1 6  ? -5.085 3.595  1.992   1.00 0.00 ? 6  DVA A HB   1 
HETATM 76  H HG11 . DVA A 1 6  ? -4.728 4.149  -1.022  1.00 0.00 ? 6  DVA A HG11 1 
HETATM 77  H HG12 . DVA A 1 6  ? -5.905 4.988  0.063   1.00 0.00 ? 6  DVA A HG12 1 
HETATM 78  H HG13 . DVA A 1 6  ? -4.137 5.183  0.341   1.00 0.00 ? 6  DVA A HG13 1 
HETATM 79  H HG21 . DVA A 1 6  ? -5.943 1.874  -0.459  1.00 0.00 ? 6  DVA A HG21 1 
HETATM 80  H HG22 . DVA A 1 6  ? -6.357 1.588  1.284   1.00 0.00 ? 6  DVA A HG22 1 
HETATM 81  H HG23 . DVA A 1 6  ? -7.059 2.988  0.419   1.00 0.00 ? 6  DVA A HG23 1 
ATOM   82  N N    . VAL A 1 7  ? -3.640 0.022  1.137   1.00 0.00 ? 7  VAL A N    1 
ATOM   83  C CA   . VAL A 1 7  ? -3.601 -1.153 1.999   1.00 0.00 ? 7  VAL A CA   1 
ATOM   84  C C    . VAL A 1 7  ? -2.322 -1.904 1.689   1.00 0.00 ? 7  VAL A C    1 
ATOM   85  O O    . VAL A 1 7  ? -2.002 -2.225 0.534   1.00 0.00 ? 7  VAL A O    1 
ATOM   86  C CB   . VAL A 1 7  ? -4.841 -2.035 1.848   1.00 0.00 ? 7  VAL A CB   1 
ATOM   87  C CG1  . VAL A 1 7  ? -5.152 -2.776 3.163   1.00 0.00 ? 7  VAL A CG1  1 
ATOM   88  C CG2  . VAL A 1 7  ? -6.059 -1.180 1.426   1.00 0.00 ? 7  VAL A CG2  1 
ATOM   89  H H    . VAL A 1 7  ? -3.594 -0.151 0.148   1.00 0.00 ? 7  VAL A H    1 
ATOM   90  H HA   . VAL A 1 7  ? -3.512 -0.806 3.017   1.00 0.00 ? 7  VAL A HA   1 
ATOM   91  H HB   . VAL A 1 7  ? -4.674 -2.772 1.030   1.00 0.00 ? 7  VAL A HB   1 
ATOM   92  H HG11 . VAL A 1 7  ? -5.338 -2.034 3.969   1.00 0.00 ? 7  VAL A HG11 1 
ATOM   93  H HG12 . VAL A 1 7  ? -6.067 -3.394 3.043   1.00 0.00 ? 7  VAL A HG12 1 
ATOM   94  H HG13 . VAL A 1 7  ? -4.315 -3.429 3.484   1.00 0.00 ? 7  VAL A HG13 1 
ATOM   95  H HG21 . VAL A 1 7  ? -6.215 -0.362 2.157   1.00 0.00 ? 7  VAL A HG21 1 
ATOM   96  H HG22 . VAL A 1 7  ? -5.922 -0.747 0.409   1.00 0.00 ? 7  VAL A HG22 1 
ATOM   97  H HG23 . VAL A 1 7  ? -6.983 -1.796 1.412   1.00 0.00 ? 7  VAL A HG23 1 
HETATM 98  N N    . DVA A 1 8  ? -1.464 -2.244 2.667   1.00 0.00 ? 8  DVA A N    1 
HETATM 99  C CA   . DVA A 1 8  ? -0.417 -3.222 2.520   1.00 0.00 ? 8  DVA A CA   1 
HETATM 100 C CB   . DVA A 1 8  ? -0.919 -4.652 2.785   1.00 0.00 ? 8  DVA A CB   1 
HETATM 101 C CG1  . DVA A 1 8  ? -2.046 -5.032 1.804   1.00 0.00 ? 8  DVA A CG1  1 
HETATM 102 C CG2  . DVA A 1 8  ? 0.217  -5.605 2.438   1.00 0.00 ? 8  DVA A CG2  1 
HETATM 103 C C    . DVA A 1 8  ? 0.746  -2.902 3.450   1.00 0.00 ? 8  DVA A C    1 
HETATM 104 O O    . DVA A 1 8  ? 0.591  -2.840 4.662   1.00 0.00 ? 8  DVA A O    1 
HETATM 105 H H    . DVA A 1 8  ? -1.612 -1.889 3.596   1.00 0.00 ? 8  DVA A H    1 
HETATM 106 H HA   . DVA A 1 8  ? 0.038  -3.141 1.544   1.00 0.00 ? 8  DVA A HA   1 
HETATM 107 H HB   . DVA A 1 8  ? -1.340 -4.790 3.806   1.00 0.00 ? 8  DVA A HB   1 
HETATM 108 H HG11 . DVA A 1 8  ? -1.737 -4.828 0.757   1.00 0.00 ? 8  DVA A HG11 1 
HETATM 109 H HG12 . DVA A 1 8  ? -2.289 -6.107 1.906   1.00 0.00 ? 8  DVA A HG12 1 
HETATM 110 H HG13 . DVA A 1 8  ? -2.972 -4.460 2.013   1.00 0.00 ? 8  DVA A HG13 1 
HETATM 111 H HG21 . DVA A 1 8  ? 0.630  -5.365 1.435   1.00 0.00 ? 8  DVA A HG21 1 
HETATM 112 H HG22 . DVA A 1 8  ? 1.036  -5.525 3.190   1.00 0.00 ? 8  DVA A HG22 1 
HETATM 113 H HG23 . DVA A 1 8  ? -0.128 -6.657 2.440   1.00 0.00 ? 8  DVA A HG23 1 
ATOM   114 N N    . TRP A 1 9  ? 1.940  -2.697 2.852   1.00 0.00 ? 9  TRP A N    1 
ATOM   115 C CA   . TRP A 1 9  ? 3.150  -2.340 3.570   1.00 0.00 ? 9  TRP A CA   1 
ATOM   116 C C    . TRP A 1 9  ? 3.545  -0.886 3.297   1.00 0.00 ? 9  TRP A C    1 
ATOM   117 O O    . TRP A 1 9  ? 3.631  -0.397 2.164   1.00 0.00 ? 9  TRP A O    1 
ATOM   118 C CB   . TRP A 1 9  ? 4.344  -3.299 3.253   1.00 0.00 ? 9  TRP A CB   1 
ATOM   119 C CG   . TRP A 1 9  ? 4.243  -4.663 3.932   1.00 0.00 ? 9  TRP A CG   1 
ATOM   120 C CD1  . TRP A 1 9  ? 4.544  -4.987 5.225   1.00 0.00 ? 9  TRP A CD1  1 
ATOM   121 C CD2  . TRP A 1 9  ? 3.711  -5.864 3.341   1.00 0.00 ? 9  TRP A CD2  1 
ATOM   122 N NE1  . TRP A 1 9  ? 4.128  -6.270 5.516   1.00 0.00 ? 9  TRP A NE1  1 
ATOM   123 C CE2  . TRP A 1 9  ? 3.598  -6.826 4.378   1.00 0.00 ? 9  TRP A CE2  1 
ATOM   124 C CE3  . TRP A 1 9  ? 3.288  -6.153 2.045   1.00 0.00 ? 9  TRP A CE3  1 
ATOM   125 C CZ2  . TRP A 1 9  ? 3.021  -8.068 4.144   1.00 0.00 ? 9  TRP A CZ2  1 
ATOM   126 C CZ3  . TRP A 1 9  ? 2.710  -7.409 1.814   1.00 0.00 ? 9  TRP A CZ3  1 
ATOM   127 C CH2  . TRP A 1 9  ? 2.565  -8.347 2.852   1.00 0.00 ? 9  TRP A CH2  1 
ATOM   128 H H    . TRP A 1 9  ? 2.066  -2.693 1.859   1.00 0.00 ? 9  TRP A H    1 
ATOM   129 H HA   . TRP A 1 9  ? 2.960  -2.415 4.629   1.00 0.00 ? 9  TRP A HA   1 
ATOM   130 H HB2  . TRP A 1 9  ? 4.411  -3.421 2.150   1.00 0.00 ? 9  TRP A HB2  1 
ATOM   131 H HB3  . TRP A 1 9  ? 5.289  -2.838 3.622   1.00 0.00 ? 9  TRP A HB3  1 
ATOM   132 H HD1  . TRP A 1 9  ? 4.956  -4.308 5.959   1.00 0.00 ? 9  TRP A HD1  1 
ATOM   133 H HE1  . TRP A 1 9  ? 4.338  -6.729 6.351   1.00 0.00 ? 9  TRP A HE1  1 
ATOM   134 H HE3  . TRP A 1 9  ? 3.332  -5.431 1.249   1.00 0.00 ? 9  TRP A HE3  1 
ATOM   135 H HZ2  . TRP A 1 9  ? 2.885  -8.785 4.940   1.00 0.00 ? 9  TRP A HZ2  1 
ATOM   136 H HZ3  . TRP A 1 9  ? 2.248  -7.645 0.865   1.00 0.00 ? 9  TRP A HZ3  1 
ATOM   137 H HH2  . TRP A 1 9  ? 2.082  -9.279 2.571   1.00 0.00 ? 9  TRP A HH2  1 
HETATM 138 N N    . DLE A 1 10 ? 3.802  -0.091 4.345   1.00 0.00 ? 10 DLE A N    1 
HETATM 139 C CA   . DLE A 1 10 ? 4.084  1.315  4.096   1.00 0.00 ? 10 DLE A CA   1 
HETATM 140 C CB   . DLE A 1 10 ? 5.589  1.710  3.912   1.00 0.00 ? 10 DLE A CB   1 
HETATM 141 C CG   . DLE A 1 10 ? 6.604  1.741  5.098   1.00 0.00 ? 10 DLE A CG   1 
HETATM 142 C CD1  . DLE A 1 10 ? 6.233  2.906  6.040   1.00 0.00 ? 10 DLE A CD1  1 
HETATM 143 C CD2  . DLE A 1 10 ? 7.020  0.459  5.833   1.00 0.00 ? 10 DLE A CD2  1 
HETATM 144 C C    . DLE A 1 10 ? 3.199  2.182  4.957   1.00 0.00 ? 10 DLE A C    1 
HETATM 145 O O    . DLE A 1 10 ? 3.074  2.002  6.165   1.00 0.00 ? 10 DLE A O    1 
HETATM 146 H H    . DLE A 1 10 ? 3.512  -0.461 5.235   1.00 0.00 ? 10 DLE A H    1 
HETATM 147 H HA   . DLE A 1 10 ? 3.784  1.549  3.083   1.00 0.00 ? 10 DLE A HA   1 
HETATM 148 H HB2  . DLE A 1 10 ? 6.085  1.043  3.170   1.00 0.00 ? 10 DLE A HB2  1 
HETATM 149 H HB3  . DLE A 1 10 ? 5.573  2.816  3.750   1.00 0.00 ? 10 DLE A HB3  1 
HETATM 150 H HG   . DLE A 1 10 ? 7.557  2.079  4.608   1.00 0.00 ? 10 DLE A HG   1 
HETATM 151 H HD11 . DLE A 1 10 ? 5.244  2.742  6.509   1.00 0.00 ? 10 DLE A HD11 1 
HETATM 152 H HD12 . DLE A 1 10 ? 6.973  2.981  6.863   1.00 0.00 ? 10 DLE A HD12 1 
HETATM 153 H HD13 . DLE A 1 10 ? 6.208  3.879  5.517   1.00 0.00 ? 10 DLE A HD13 1 
HETATM 154 H HD21 . DLE A 1 10 ? 6.352  -0.390 5.587   1.00 0.00 ? 10 DLE A HD21 1 
HETATM 155 H HD22 . DLE A 1 10 ? 8.047  0.181  5.499   1.00 0.00 ? 10 DLE A HD22 1 
HETATM 156 H HD23 . DLE A 1 10 ? 7.073  0.612  6.921   1.00 0.00 ? 10 DLE A HD23 1 
ATOM   157 N N    . TRP A 1 11 ? 2.494  3.121  4.312   1.00 0.00 ? 11 TRP A N    1 
ATOM   158 C CA   . TRP A 1 11 ? 1.554  3.953  5.010   1.00 0.00 ? 11 TRP A CA   1 
ATOM   159 C C    . TRP A 1 11 ? 0.099  3.612  4.653   1.00 0.00 ? 11 TRP A C    1 
ATOM   160 O O    . TRP A 1 11 ? -0.329 3.187  3.573   1.00 0.00 ? 11 TRP A O    1 
ATOM   161 C CB   . TRP A 1 11 ? 1.896  5.466  4.841   1.00 0.00 ? 11 TRP A CB   1 
ATOM   162 C CG   . TRP A 1 11 ? 3.180  5.937  5.553   1.00 0.00 ? 11 TRP A CG   1 
ATOM   163 C CD1  . TRP A 1 11 ? 3.335  6.468  6.809   1.00 0.00 ? 11 TRP A CD1  1 
ATOM   164 C CD2  . TRP A 1 11 ? 4.503  5.949  4.970   1.00 0.00 ? 11 TRP A CD2  1 
ATOM   165 N NE1  . TRP A 1 11 ? 4.650  6.855  7.010   1.00 0.00 ? 11 TRP A NE1  1 
ATOM   166 C CE2  . TRP A 1 11 ? 5.381  6.538  5.902   1.00 0.00 ? 11 TRP A CE2  1 
ATOM   167 C CE3  . TRP A 1 11 ? 4.983  5.521  3.741   1.00 0.00 ? 11 TRP A CE3  1 
ATOM   168 C CZ2  . TRP A 1 11 ? 6.737  6.710  5.628   1.00 0.00 ? 11 TRP A CZ2  1 
ATOM   169 C CZ3  . TRP A 1 11 ? 6.352  5.702  3.453   1.00 0.00 ? 11 TRP A CZ3  1 
ATOM   170 C CH2  . TRP A 1 11 ? 7.215  6.306  4.369   1.00 0.00 ? 11 TRP A CH2  1 
ATOM   171 H H    . TRP A 1 11 ? 2.517  3.276  3.324   1.00 0.00 ? 11 TRP A H    1 
ATOM   172 H HA   . TRP A 1 11 ? 1.616  3.776  6.077   1.00 0.00 ? 11 TRP A HA   1 
ATOM   173 H HB2  . TRP A 1 11 ? 1.966  5.698  3.758   1.00 0.00 ? 11 TRP A HB2  1 
ATOM   174 H HB3  . TRP A 1 11 ? 1.065  6.078  5.253   1.00 0.00 ? 11 TRP A HB3  1 
ATOM   175 H HD1  . TRP A 1 11 ? 2.623  6.476  7.623   1.00 0.00 ? 11 TRP A HD1  1 
ATOM   176 H HE1  . TRP A 1 11 ? 5.079  7.169  7.828   1.00 0.00 ? 11 TRP A HE1  1 
ATOM   177 H HE3  . TRP A 1 11 ? 4.316  5.064  3.023   1.00 0.00 ? 11 TRP A HE3  1 
ATOM   178 H HZ2  . TRP A 1 11 ? 7.400  7.179  6.336   1.00 0.00 ? 11 TRP A HZ2  1 
ATOM   179 H HZ3  . TRP A 1 11 ? 6.620  5.569  2.420   1.00 0.00 ? 11 TRP A HZ3  1 
ATOM   180 H HH2  . TRP A 1 11 ? 8.248  6.481  4.098   1.00 0.00 ? 11 TRP A HH2  1 
HETATM 181 N N    . DLE A 1 12 ? -0.756 3.880  5.634   1.00 0.00 ? 12 DLE A N    1 
HETATM 182 C CA   . DLE A 1 12 ? -2.177 3.909  5.516   1.00 0.00 ? 12 DLE A CA   1 
HETATM 183 C CB   . DLE A 1 12 ? -2.432 5.325  6.067   1.00 0.00 ? 12 DLE A CB   1 
HETATM 184 C CG   . DLE A 1 12 ? -3.820 5.938  6.262   1.00 0.00 ? 12 DLE A CG   1 
HETATM 185 C CD1  . DLE A 1 12 ? -4.867 6.142  5.149   1.00 0.00 ? 12 DLE A CD1  1 
HETATM 186 C CD2  . DLE A 1 12 ? -4.713 5.106  7.187   1.00 0.00 ? 12 DLE A CD2  1 
HETATM 187 C C    . DLE A 1 12 ? -2.695 2.764  6.387   1.00 0.00 ? 12 DLE A C    1 
HETATM 188 O O    . DLE A 1 12 ? -2.444 2.709  7.590   1.00 0.00 ? 12 DLE A O    1 
HETATM 189 H H    . DLE A 1 12 ? -0.451 4.203  6.524   1.00 0.00 ? 12 DLE A H    1 
HETATM 190 H HA   . DLE A 1 12 ? -2.484 3.789  4.479   1.00 0.00 ? 12 DLE A HA   1 
HETATM 191 H HB2  . DLE A 1 12 ? -1.970 5.306  7.088   1.00 0.00 ? 12 DLE A HB2  1 
HETATM 192 H HB3  . DLE A 1 12 ? -1.776 6.080  5.577   1.00 0.00 ? 12 DLE A HB3  1 
HETATM 193 H HG   . DLE A 1 12 ? -3.632 7.011  6.502   1.00 0.00 ? 12 DLE A HG   1 
HETATM 194 H HD11 . DLE A 1 12 ? -5.097 5.170  4.673   1.00 0.00 ? 12 DLE A HD11 1 
HETATM 195 H HD12 . DLE A 1 12 ? -5.798 6.612  5.524   1.00 0.00 ? 12 DLE A HD12 1 
HETATM 196 H HD13 . DLE A 1 12 ? -4.444 6.793  4.355   1.00 0.00 ? 12 DLE A HD13 1 
HETATM 197 H HD21 . DLE A 1 12 ? -4.196 4.922  8.152   1.00 0.00 ? 12 DLE A HD21 1 
HETATM 198 H HD22 . DLE A 1 12 ? -5.662 5.642  7.390   1.00 0.00 ? 12 DLE A HD22 1 
HETATM 199 H HD23 . DLE A 1 12 ? -4.950 4.119  6.729   1.00 0.00 ? 12 DLE A HD23 1 
ATOM   200 N N    . TRP A 1 13 ? -3.390 1.796  5.769   1.00 0.00 ? 13 TRP A N    1 
ATOM   201 C CA   . TRP A 1 13 ? -3.807 0.613  6.485   1.00 0.00 ? 13 TRP A CA   1 
ATOM   202 C C    . TRP A 1 13 ? -2.884 -0.571 6.187   1.00 0.00 ? 13 TRP A C    1 
ATOM   203 O O    . TRP A 1 13 ? -2.299 -0.743 5.114   1.00 0.00 ? 13 TRP A O    1 
ATOM   204 C CB   . TRP A 1 13 ? -5.296 0.243  6.186   1.00 0.00 ? 13 TRP A CB   1 
ATOM   205 C CG   . TRP A 1 13 ? -6.303 1.291  6.654   1.00 0.00 ? 13 TRP A CG   1 
ATOM   206 C CD1  . TRP A 1 13 ? -6.904 1.439  7.871   1.00 0.00 ? 13 TRP A CD1  1 
ATOM   207 C CD2  . TRP A 1 13 ? -6.799 2.367  5.839   1.00 0.00 ? 13 TRP A CD2  1 
ATOM   208 N NE1  . TRP A 1 13 ? -7.670 2.588  7.902   1.00 0.00 ? 13 TRP A NE1  1 
ATOM   209 C CE2  . TRP A 1 13 ? -7.633 3.165  6.656   1.00 0.00 ? 13 TRP A CE2  1 
ATOM   210 C CE3  . TRP A 1 13 ? -6.568 2.694  4.500   1.00 0.00 ? 13 TRP A CE3  1 
ATOM   211 C CZ2  . TRP A 1 13 ? -8.231 4.314  6.151   1.00 0.00 ? 13 TRP A CZ2  1 
ATOM   212 C CZ3  . TRP A 1 13 ? -7.195 3.834  3.983   1.00 0.00 ? 13 TRP A CZ3  1 
ATOM   213 C CH2  . TRP A 1 13 ? -7.994 4.643  4.801   1.00 0.00 ? 13 TRP A CH2  1 
ATOM   214 H H    . TRP A 1 13 ? -3.608 1.833  4.794   1.00 0.00 ? 13 TRP A H    1 
ATOM   215 H HA   . TRP A 1 13 ? -3.748 0.790  7.550   1.00 0.00 ? 13 TRP A HA   1 
ATOM   216 H HB2  . TRP A 1 13 ? -5.421 0.086  5.091   1.00 0.00 ? 13 TRP A HB2  1 
ATOM   217 H HB3  . TRP A 1 13 ? -5.565 -0.706 6.695   1.00 0.00 ? 13 TRP A HB3  1 
ATOM   218 H HD1  . TRP A 1 13 ? -6.737 0.816  8.740   1.00 0.00 ? 13 TRP A HD1  1 
ATOM   219 H HE1  . TRP A 1 13 ? -8.223 2.805  8.677   1.00 0.00 ? 13 TRP A HE1  1 
ATOM   220 H HE3  . TRP A 1 13 ? -5.878 2.076  3.959   1.00 0.00 ? 13 TRP A HE3  1 
ATOM   221 H HZ2  . TRP A 1 13 ? -8.894 4.957  6.704   1.00 0.00 ? 13 TRP A HZ2  1 
ATOM   222 H HZ3  . TRP A 1 13 ? -7.060 4.086  2.945   1.00 0.00 ? 13 TRP A HZ3  1 
ATOM   223 H HH2  . TRP A 1 13 ? -8.436 5.558  4.428   1.00 0.00 ? 13 TRP A HH2  1 
HETATM 224 N N    . DLE A 1 14 ? -2.817 -1.500 7.145   1.00 0.00 ? 14 DLE A N    1 
HETATM 225 C CA   . DLE A 1 14 ? -2.265 -2.823 7.122   1.00 0.00 ? 14 DLE A CA   1 
HETATM 226 C CB   . DLE A 1 14 ? -3.541 -3.581 7.603   1.00 0.00 ? 14 DLE A CB   1 
HETATM 227 C CG   . DLE A 1 14 ? -3.621 -5.091 7.907   1.00 0.00 ? 14 DLE A CG   1 
HETATM 228 C CD1  . DLE A 1 14 ? -3.639 -6.178 6.795   1.00 0.00 ? 14 DLE A CD1  1 
HETATM 229 C CD2  . DLE A 1 14 ? -2.515 -5.595 8.825   1.00 0.00 ? 14 DLE A CD2  1 
HETATM 230 C C    . DLE A 1 14 ? -1.010 -2.838 8.026   1.00 0.00 ? 14 DLE A C    1 
HETATM 231 O O    . DLE A 1 14 ? -1.071 -2.592 9.232   1.00 0.00 ? 14 DLE A O    1 
HETATM 232 H H    . DLE A 1 14 ? -3.293 -1.340 8.003   1.00 0.00 ? 14 DLE A H    1 
HETATM 233 H HA   . DLE A 1 14 ? -1.994 -3.071 6.102   1.00 0.00 ? 14 DLE A HA   1 
HETATM 234 H HB2  . DLE A 1 14 ? -3.800 -3.160 8.608   1.00 0.00 ? 14 DLE A HB2  1 
HETATM 235 H HB3  . DLE A 1 14 ? -4.293 -3.369 6.810   1.00 0.00 ? 14 DLE A HB3  1 
HETATM 236 H HG   . DLE A 1 14 ? -4.707 -5.235 8.134   1.00 0.00 ? 14 DLE A HG   1 
HETATM 237 H HD11 . DLE A 1 14 ? -2.944 -5.899 5.979   1.00 0.00 ? 14 DLE A HD11 1 
HETATM 238 H HD12 . DLE A 1 14 ? -3.361 -7.172 7.185   1.00 0.00 ? 14 DLE A HD12 1 
HETATM 239 H HD13 . DLE A 1 14 ? -4.657 -6.253 6.351   1.00 0.00 ? 14 DLE A HD13 1 
HETATM 240 H HD21 . DLE A 1 14 ? -2.508 -5.011 9.770   1.00 0.00 ? 14 DLE A HD21 1 
HETATM 241 H HD22 . DLE A 1 14 ? -2.675 -6.659 9.087   1.00 0.00 ? 14 DLE A HD22 1 
HETATM 242 H HD23 . DLE A 1 14 ? -1.519 -5.501 8.342   1.00 0.00 ? 14 DLE A HD23 1 
ATOM   243 N N    . TRP A 1 15 ? 0.175  -3.084 7.419   1.00 0.00 ? 15 TRP A N    1 
ATOM   244 C CA   . TRP A 1 15 ? 1.450  -3.102 8.136   1.00 0.00 ? 15 TRP A CA   1 
ATOM   245 C C    . TRP A 1 15 ? 2.340  -1.890 7.851   1.00 0.00 ? 15 TRP A C    1 
ATOM   246 O O    . TRP A 1 15 ? 2.670  -1.535 6.720   1.00 0.00 ? 15 TRP A O    1 
ATOM   247 C CB   . TRP A 1 15 ? 2.275  -4.385 7.846   1.00 0.00 ? 15 TRP A CB   1 
ATOM   248 C CG   . TRP A 1 15 ? 1.599  -5.670 8.280   1.00 0.00 ? 15 TRP A CG   1 
ATOM   249 C CD1  . TRP A 1 15 ? 1.638  -6.295 9.499   1.00 0.00 ? 15 TRP A CD1  1 
ATOM   250 C CD2  . TRP A 1 15 ? 0.732  -6.459 7.449   1.00 0.00 ? 15 TRP A CD2  1 
ATOM   251 N NE1  . TRP A 1 15 ? 0.804  -7.394 9.500   1.00 0.00 ? 15 TRP A NE1  1 
ATOM   252 C CE2  . TRP A 1 15 ? 0.250  -7.522 8.244   1.00 0.00 ? 15 TRP A CE2  1 
ATOM   253 C CE3  . TRP A 1 15 ? 0.341  -6.311 6.126   1.00 0.00 ? 15 TRP A CE3  1 
ATOM   254 C CZ2  . TRP A 1 15 ? -0.638 -8.457 7.726   1.00 0.00 ? 15 TRP A CZ2  1 
ATOM   255 C CZ3  . TRP A 1 15 ? -0.561 -7.248 5.604   1.00 0.00 ? 15 TRP A CZ3  1 
ATOM   256 C CH2  . TRP A 1 15 ? -1.048 -8.304 6.391   1.00 0.00 ? 15 TRP A CH2  1 
ATOM   257 H H    . TRP A 1 15 ? 0.219  -3.319 6.450   1.00 0.00 ? 15 TRP A H    1 
ATOM   258 H HA   . TRP A 1 15 ? 1.253  -3.094 9.197   1.00 0.00 ? 15 TRP A HA   1 
ATOM   259 H HB2  . TRP A 1 15 ? 2.467  -4.433 6.755   1.00 0.00 ? 15 TRP A HB2  1 
ATOM   260 H HB3  . TRP A 1 15 ? 3.253  -4.335 8.367   1.00 0.00 ? 15 TRP A HB3  1 
ATOM   261 H HD1  . TRP A 1 15 ? 2.155  -5.943 10.380  1.00 0.00 ? 15 TRP A HD1  1 
ATOM   262 H HE1  . TRP A 1 15 ? 0.785  -8.045 10.228  1.00 0.00 ? 15 TRP A HE1  1 
ATOM   263 H HE3  . TRP A 1 15 ? 0.701  -5.499 5.512   1.00 0.00 ? 15 TRP A HE3  1 
ATOM   264 H HZ2  . TRP A 1 15 ? -1.036 -9.239 8.349   1.00 0.00 ? 15 TRP A HZ2  1 
ATOM   265 H HZ3  . TRP A 1 15 ? -0.936 -7.144 4.595   1.00 0.00 ? 15 TRP A HZ3  1 
ATOM   266 H HH2  . TRP A 1 15 ? -1.750 -8.986 5.931   1.00 0.00 ? 15 TRP A HH2  1 
HETATM 267 C CA   . ETA A 1 16 ? 3.657  -0.080 8.832   1.00 0.00 ? 16 ETA A CA   1 
HETATM 268 N N    . ETA A 1 16 ? 2.813  -1.244 8.933   1.00 0.00 ? 16 ETA A N    1 
HETATM 269 C CB   . ETA A 1 16 ? 5.148  -0.421 8.762   1.00 0.00 ? 16 ETA A CB   1 
HETATM 270 O O    . ETA A 1 16 ? 5.921  0.752  8.985   1.00 0.00 ? 16 ETA A O    1 
HETATM 271 H HA1  . ETA A 1 16 ? 3.383  0.525  7.938   1.00 0.00 ? 16 ETA A HA1  1 
HETATM 272 H HA2  . ETA A 1 16 ? 3.492  0.565  9.718   1.00 0.00 ? 16 ETA A HA2  1 
HETATM 273 H HN1  . ETA A 1 16 ? 2.507  -1.491 9.845   1.00 0.00 ? 16 ETA A HN1  1 
HETATM 274 H HB1  . ETA A 1 16 ? 5.410  -1.174 9.531   1.00 0.00 ? 16 ETA A HB1  1 
HETATM 275 H HB2  . ETA A 1 16 ? 5.374  -0.849 7.759   1.00 0.00 ? 16 ETA A HB2  1 
HETATM 276 H HO   . ETA A 1 16 ? 5.736  1.339  8.244   1.00 0.00 ? 16 ETA A HO   1 
HETATM 277 C C    . FVA B 1 1  ? -0.920 3.596  -4.045  1.00 0.00 ? 1  FVA B C    1 
HETATM 278 N N    . FVA B 1 1  ? -3.043 2.601  -3.426  1.00 0.00 ? 1  FVA B N    1 
HETATM 279 O O    . FVA B 1 1  ? -0.385 3.961  -2.991  1.00 0.00 ? 1  FVA B O    1 
HETATM 280 C CA   . FVA B 1 1  ? -2.415 3.640  -4.241  1.00 0.00 ? 1  FVA B CA   1 
HETATM 281 C CB   . FVA B 1 1  ? -2.919 5.045  -3.958  1.00 0.00 ? 1  FVA B CB   1 
HETATM 282 C CG1  . FVA B 1 1  ? -2.163 6.141  -4.786  1.00 0.00 ? 1  FVA B CG1  1 
HETATM 283 C CG2  . FVA B 1 1  ? -4.427 5.132  -4.198  1.00 0.00 ? 1  FVA B CG2  1 
HETATM 284 H H    . FVA B 1 1  ? -2.760 2.649  -2.461  1.00 0.00 ? 1  FVA B H    1 
HETATM 285 H HA   . FVA B 1 1  ? -2.651 3.401  -5.272  1.00 0.00 ? 1  FVA B HA   1 
HETATM 286 H HB   . FVA B 1 1  ? -2.542 5.494  -3.006  1.00 0.00 ? 1  FVA B HB   1 
HETATM 287 H HG11 . FVA B 1 1  ? -2.280 5.946  -5.868  1.00 0.00 ? 1  FVA B HG11 1 
HETATM 288 H HG12 . FVA B 1 1  ? -2.578 7.146  -4.564  1.00 0.00 ? 1  FVA B HG12 1 
HETATM 289 H HG13 . FVA B 1 1  ? -1.080 6.174  -4.550  1.00 0.00 ? 1  FVA B HG13 1 
HETATM 290 O O1   . FVA B 1 1  ? -3.774 1.363  -5.256  1.00 0.00 ? 1  FVA B O1   1 
HETATM 291 H HG21 . FVA B 1 1  ? -4.671 4.794  -5.229  1.00 0.00 ? 1  FVA B HG21 1 
HETATM 292 C CN   . FVA B 1 1  ? -3.690 1.575  -4.041  1.00 0.00 ? 1  FVA B CN   1 
HETATM 293 H HG22 . FVA B 1 1  ? -4.985 4.505  -3.469  1.00 0.00 ? 1  FVA B HG22 1 
HETATM 294 H HG23 . FVA B 1 1  ? -4.766 6.182  -4.071  1.00 0.00 ? 1  FVA B HG23 1 
HETATM 295 H HN   . FVA B 1 1  ? -4.305 1.047  -3.297  1.00 0.00 ? 1  FVA B HN   1 
ATOM   296 N N    . GLY B 1 2  ? -0.150 3.167  -5.060  1.00 0.00 ? 2  GLY B N    1 
ATOM   297 C CA   . GLY B 1 2  ? 1.289  3.155  -4.807  1.00 0.00 ? 2  GLY B CA   1 
ATOM   298 C C    . GLY B 1 2  ? 2.025  2.270  -5.730  1.00 0.00 ? 2  GLY B C    1 
ATOM   299 O O    . GLY B 1 2  ? 1.812  2.330  -6.930  1.00 0.00 ? 2  GLY B O    1 
ATOM   300 H H    . GLY B 1 2  ? -0.506 2.978  -5.983  1.00 0.00 ? 2  GLY B H    1 
ATOM   301 H HA2  . GLY B 1 2  ? 1.662  4.152  -4.971  1.00 0.00 ? 2  GLY B HA2  1 
ATOM   302 H HA3  . GLY B 1 2  ? 1.469  2.805  -3.798  1.00 0.00 ? 2  GLY B HA3  1 
ATOM   303 N N    . ALA B 1 3  ? 2.946  1.447  -5.194  1.00 0.00 ? 3  ALA B N    1 
ATOM   304 C CA   . ALA B 1 3  ? 3.658  0.472  -5.979  1.00 0.00 ? 3  ALA B CA   1 
ATOM   305 C C    . ALA B 1 3  ? 3.238  -0.933 -5.656  1.00 0.00 ? 3  ALA B C    1 
ATOM   306 O O    . ALA B 1 3  ? 2.854  -1.232 -4.535  1.00 0.00 ? 3  ALA B O    1 
ATOM   307 C CB   . ALA B 1 3  ? 5.189  0.621  -5.814  1.00 0.00 ? 3  ALA B CB   1 
ATOM   308 H H    . ALA B 1 3  ? 3.121  1.437  -4.220  1.00 0.00 ? 3  ALA B H    1 
ATOM   309 H HA   . ALA B 1 3  ? 3.324  0.632  -6.965  1.00 0.00 ? 3  ALA B HA   1 
ATOM   310 H HB1  . ALA B 1 3  ? 5.500  0.446  -4.766  1.00 0.00 ? 3  ALA B HB1  1 
ATOM   311 H HB2  . ALA B 1 3  ? 5.720  -0.099 -6.480  1.00 0.00 ? 3  ALA B HB2  1 
ATOM   312 H HB3  . ALA B 1 3  ? 5.490  1.640  -6.122  1.00 0.00 ? 3  ALA B HB3  1 
HETATM 313 N N    . DLE B 1 4  ? 3.285  -1.836 -6.648  1.00 0.00 ? 4  DLE B N    1 
HETATM 314 C CA   . DLE B 1 4  ? 2.849  -3.212 -6.309  1.00 0.00 ? 4  DLE B CA   1 
HETATM 315 C CB   . DLE B 1 4  ? 3.963  -4.309 -6.438  1.00 0.00 ? 4  DLE B CB   1 
HETATM 316 C CG   . DLE B 1 4  ? 3.537  -5.796 -6.677  1.00 0.00 ? 4  DLE B CG   1 
HETATM 317 C CD1  . DLE B 1 4  ? 4.599  -6.606 -7.412  1.00 0.00 ? 4  DLE B CD1  1 
HETATM 318 C CD2  . DLE B 1 4  ? 2.745  -6.736 -5.740  1.00 0.00 ? 4  DLE B CD2  1 
HETATM 319 C C    . DLE B 1 4  ? 1.689  -3.547 -7.197  1.00 0.00 ? 4  DLE B C    1 
HETATM 320 O O    . DLE B 1 4  ? 1.794  -3.381 -8.405  1.00 0.00 ? 4  DLE B O    1 
HETATM 321 H H    . DLE B 1 4  ? 3.531  -1.520 -7.578  1.00 0.00 ? 4  DLE B H    1 
HETATM 322 H HA   . DLE B 1 4  ? 2.457  -3.286 -5.306  1.00 0.00 ? 4  DLE B HA   1 
HETATM 323 H HB2  . DLE B 1 4  ? 4.518  -4.015 -7.364  1.00 0.00 ? 4  DLE B HB2  1 
HETATM 324 H HB3  . DLE B 1 4  ? 4.753  -4.228 -5.671  1.00 0.00 ? 4  DLE B HB3  1 
HETATM 325 H HG   . DLE B 1 4  ? 2.653  -5.695 -7.349  1.00 0.00 ? 4  DLE B HG   1 
HETATM 326 H HD11 . DLE B 1 4  ? 5.173  -5.930 -8.058  1.00 0.00 ? 4  DLE B HD11 1 
HETATM 327 H HD12 . DLE B 1 4  ? 5.287  -7.075 -6.678  1.00 0.00 ? 4  DLE B HD12 1 
HETATM 328 H HD13 . DLE B 1 4  ? 4.138  -7.413 -8.030  1.00 0.00 ? 4  DLE B HD13 1 
HETATM 329 H HD21 . DLE B 1 4  ? 1.813  -6.245 -5.384  1.00 0.00 ? 4  DLE B HD21 1 
HETATM 330 H HD22 . DLE B 1 4  ? 2.463  -7.683 -6.258  1.00 0.00 ? 4  DLE B HD22 1 
HETATM 331 H HD23 . DLE B 1 4  ? 3.356  -6.985 -4.852  1.00 0.00 ? 4  DLE B HD23 1 
ATOM   332 N N    . ALA B 1 5  ? 0.581  -4.093 -6.614  1.00 0.00 ? 5  ALA B N    1 
ATOM   333 C CA   . ALA B 1 5  ? -0.500 -4.563 -7.464  1.00 0.00 ? 5  ALA B CA   1 
ATOM   334 C C    . ALA B 1 5  ? -1.740 -3.807 -7.077  1.00 0.00 ? 5  ALA B C    1 
ATOM   335 O O    . ALA B 1 5  ? -2.151 -3.790 -5.915  1.00 0.00 ? 5  ALA B O    1 
ATOM   336 C CB   . ALA B 1 5  ? -0.733 -6.087 -7.338  1.00 0.00 ? 5  ALA B CB   1 
ATOM   337 H H    . ALA B 1 5  ? 0.449  -4.264 -5.637  1.00 0.00 ? 5  ALA B H    1 
ATOM   338 H HA   . ALA B 1 5  ? -0.264 -4.239 -8.458  1.00 0.00 ? 5  ALA B HA   1 
ATOM   339 H HB1  . ALA B 1 5  ? -0.913 -6.351 -6.273  1.00 0.00 ? 5  ALA B HB1  1 
ATOM   340 H HB2  . ALA B 1 5  ? -1.609 -6.404 -7.939  1.00 0.00 ? 5  ALA B HB2  1 
ATOM   341 H HB3  . ALA B 1 5  ? 0.154  -6.647 -7.697  1.00 0.00 ? 5  ALA B HB3  1 
HETATM 342 N N    . DVA B 1 6  ? -2.405 -3.140 -8.025  1.00 0.00 ? 6  DVA B N    1 
HETATM 343 C CA   . DVA B 1 6  ? -3.630 -2.432 -7.672  1.00 0.00 ? 6  DVA B CA   1 
HETATM 344 C CB   . DVA B 1 6  ? -4.939 -3.236 -7.794  1.00 0.00 ? 6  DVA B CB   1 
HETATM 345 C CG1  . DVA B 1 6  ? -4.928 -4.468 -6.868  1.00 0.00 ? 6  DVA B CG1  1 
HETATM 346 C CG2  . DVA B 1 6  ? -6.143 -2.365 -7.360  1.00 0.00 ? 6  DVA B CG2  1 
HETATM 347 C C    . DVA B 1 6  ? -3.683 -1.241 -8.567  1.00 0.00 ? 6  DVA B C    1 
HETATM 348 O O    . DVA B 1 6  ? -3.748 -1.403 -9.782  1.00 0.00 ? 6  DVA B O    1 
HETATM 349 H H    . DVA B 1 6  ? -2.035 -3.046 -8.962  1.00 0.00 ? 6  DVA B H    1 
HETATM 350 H HA   . DVA B 1 6  ? -3.542 -2.026 -6.670  1.00 0.00 ? 6  DVA B HA   1 
HETATM 351 H HB   . DVA B 1 6  ? -5.085 -3.595 -8.834  1.00 0.00 ? 6  DVA B HB   1 
HETATM 352 H HG11 . DVA B 1 6  ? -4.728 -4.149 -5.820  1.00 0.00 ? 6  DVA B HG11 1 
HETATM 353 H HG12 . DVA B 1 6  ? -5.905 -4.988 -6.905  1.00 0.00 ? 6  DVA B HG12 1 
HETATM 354 H HG13 . DVA B 1 6  ? -4.137 -5.183 -7.183  1.00 0.00 ? 6  DVA B HG13 1 
HETATM 355 H HG21 . DVA B 1 6  ? -5.943 -1.874 -6.383  1.00 0.00 ? 6  DVA B HG21 1 
HETATM 356 H HG22 . DVA B 1 6  ? -6.357 -1.588 -8.126  1.00 0.00 ? 6  DVA B HG22 1 
HETATM 357 H HG23 . DVA B 1 6  ? -7.059 -2.988 -7.261  1.00 0.00 ? 6  DVA B HG23 1 
ATOM   358 N N    . VAL B 1 7  ? -3.640 -0.022 -7.979  1.00 0.00 ? 7  VAL B N    1 
ATOM   359 C CA   . VAL B 1 7  ? -3.601 1.153  -8.841  1.00 0.00 ? 7  VAL B CA   1 
ATOM   360 C C    . VAL B 1 7  ? -2.322 1.904  -8.531  1.00 0.00 ? 7  VAL B C    1 
ATOM   361 O O    . VAL B 1 7  ? -2.002 2.225  -7.376  1.00 0.00 ? 7  VAL B O    1 
ATOM   362 C CB   . VAL B 1 7  ? -4.841 2.035  -8.690  1.00 0.00 ? 7  VAL B CB   1 
ATOM   363 C CG1  . VAL B 1 7  ? -5.152 2.776  -10.005 1.00 0.00 ? 7  VAL B CG1  1 
ATOM   364 C CG2  . VAL B 1 7  ? -6.059 1.180  -8.268  1.00 0.00 ? 7  VAL B CG2  1 
ATOM   365 H H    . VAL B 1 7  ? -3.594 0.151  -6.990  1.00 0.00 ? 7  VAL B H    1 
ATOM   366 H HA   . VAL B 1 7  ? -3.512 0.806  -9.859  1.00 0.00 ? 7  VAL B HA   1 
ATOM   367 H HB   . VAL B 1 7  ? -4.674 2.772  -7.872  1.00 0.00 ? 7  VAL B HB   1 
ATOM   368 H HG11 . VAL B 1 7  ? -5.338 2.034  -10.811 1.00 0.00 ? 7  VAL B HG11 1 
ATOM   369 H HG12 . VAL B 1 7  ? -6.067 3.394  -9.885  1.00 0.00 ? 7  VAL B HG12 1 
ATOM   370 H HG13 . VAL B 1 7  ? -4.315 3.429  -10.326 1.00 0.00 ? 7  VAL B HG13 1 
ATOM   371 H HG21 . VAL B 1 7  ? -6.215 0.362  -8.999  1.00 0.00 ? 7  VAL B HG21 1 
ATOM   372 H HG22 . VAL B 1 7  ? -5.922 0.747  -7.251  1.00 0.00 ? 7  VAL B HG22 1 
ATOM   373 H HG23 . VAL B 1 7  ? -6.983 1.796  -8.254  1.00 0.00 ? 7  VAL B HG23 1 
HETATM 374 N N    . DVA B 1 8  ? -1.464 2.244  -9.509  1.00 0.00 ? 8  DVA B N    1 
HETATM 375 C CA   . DVA B 1 8  ? -0.417 3.222  -9.362  1.00 0.00 ? 8  DVA B CA   1 
HETATM 376 C CB   . DVA B 1 8  ? -0.919 4.652  -9.627  1.00 0.00 ? 8  DVA B CB   1 
HETATM 377 C CG1  . DVA B 1 8  ? -2.046 5.032  -8.646  1.00 0.00 ? 8  DVA B CG1  1 
HETATM 378 C CG2  . DVA B 1 8  ? 0.217  5.605  -9.280  1.00 0.00 ? 8  DVA B CG2  1 
HETATM 379 C C    . DVA B 1 8  ? 0.746  2.902  -10.292 1.00 0.00 ? 8  DVA B C    1 
HETATM 380 O O    . DVA B 1 8  ? 0.591  2.840  -11.504 1.00 0.00 ? 8  DVA B O    1 
HETATM 381 H H    . DVA B 1 8  ? -1.612 1.889  -10.438 1.00 0.00 ? 8  DVA B H    1 
HETATM 382 H HA   . DVA B 1 8  ? 0.038  3.141  -8.386  1.00 0.00 ? 8  DVA B HA   1 
HETATM 383 H HB   . DVA B 1 8  ? -1.340 4.790  -10.648 1.00 0.00 ? 8  DVA B HB   1 
HETATM 384 H HG11 . DVA B 1 8  ? -1.737 4.828  -7.599  1.00 0.00 ? 8  DVA B HG11 1 
HETATM 385 H HG12 . DVA B 1 8  ? -2.289 6.107  -8.748  1.00 0.00 ? 8  DVA B HG12 1 
HETATM 386 H HG13 . DVA B 1 8  ? -2.972 4.460  -8.855  1.00 0.00 ? 8  DVA B HG13 1 
HETATM 387 H HG21 . DVA B 1 8  ? 0.630  5.365  -8.277  1.00 0.00 ? 8  DVA B HG21 1 
HETATM 388 H HG22 . DVA B 1 8  ? 1.036  5.525  -10.032 1.00 0.00 ? 8  DVA B HG22 1 
HETATM 389 H HG23 . DVA B 1 8  ? -0.128 6.657  -9.282  1.00 0.00 ? 8  DVA B HG23 1 
ATOM   390 N N    . TRP B 1 9  ? 1.940  2.697  -9.694  1.00 0.00 ? 9  TRP B N    1 
ATOM   391 C CA   . TRP B 1 9  ? 3.150  2.340  -10.412 1.00 0.00 ? 9  TRP B CA   1 
ATOM   392 C C    . TRP B 1 9  ? 3.545  0.886  -10.139 1.00 0.00 ? 9  TRP B C    1 
ATOM   393 O O    . TRP B 1 9  ? 3.631  0.397  -9.006  1.00 0.00 ? 9  TRP B O    1 
ATOM   394 C CB   . TRP B 1 9  ? 4.344  3.299  -10.095 1.00 0.00 ? 9  TRP B CB   1 
ATOM   395 C CG   . TRP B 1 9  ? 4.243  4.663  -10.774 1.00 0.00 ? 9  TRP B CG   1 
ATOM   396 C CD1  . TRP B 1 9  ? 4.544  4.987  -12.067 1.00 0.00 ? 9  TRP B CD1  1 
ATOM   397 C CD2  . TRP B 1 9  ? 3.711  5.864  -10.183 1.00 0.00 ? 9  TRP B CD2  1 
ATOM   398 N NE1  . TRP B 1 9  ? 4.128  6.270  -12.358 1.00 0.00 ? 9  TRP B NE1  1 
ATOM   399 C CE2  . TRP B 1 9  ? 3.598  6.826  -11.220 1.00 0.00 ? 9  TRP B CE2  1 
ATOM   400 C CE3  . TRP B 1 9  ? 3.288  6.153  -8.887  1.00 0.00 ? 9  TRP B CE3  1 
ATOM   401 C CZ2  . TRP B 1 9  ? 3.021  8.068  -10.986 1.00 0.00 ? 9  TRP B CZ2  1 
ATOM   402 C CZ3  . TRP B 1 9  ? 2.710  7.409  -8.656  1.00 0.00 ? 9  TRP B CZ3  1 
ATOM   403 C CH2  . TRP B 1 9  ? 2.565  8.347  -9.694  1.00 0.00 ? 9  TRP B CH2  1 
ATOM   404 H H    . TRP B 1 9  ? 2.066  2.693  -8.701  1.00 0.00 ? 9  TRP B H    1 
ATOM   405 H HA   . TRP B 1 9  ? 2.960  2.415  -11.471 1.00 0.00 ? 9  TRP B HA   1 
ATOM   406 H HB2  . TRP B 1 9  ? 4.411  3.421  -8.992  1.00 0.00 ? 9  TRP B HB2  1 
ATOM   407 H HB3  . TRP B 1 9  ? 5.289  2.838  -10.464 1.00 0.00 ? 9  TRP B HB3  1 
ATOM   408 H HD1  . TRP B 1 9  ? 4.956  4.308  -12.801 1.00 0.00 ? 9  TRP B HD1  1 
ATOM   409 H HE1  . TRP B 1 9  ? 4.338  6.729  -13.193 1.00 0.00 ? 9  TRP B HE1  1 
ATOM   410 H HE3  . TRP B 1 9  ? 3.332  5.431  -8.091  1.00 0.00 ? 9  TRP B HE3  1 
ATOM   411 H HZ2  . TRP B 1 9  ? 2.885  8.785  -11.782 1.00 0.00 ? 9  TRP B HZ2  1 
ATOM   412 H HZ3  . TRP B 1 9  ? 2.248  7.645  -7.707  1.00 0.00 ? 9  TRP B HZ3  1 
ATOM   413 H HH2  . TRP B 1 9  ? 2.082  9.279  -9.413  1.00 0.00 ? 9  TRP B HH2  1 
HETATM 414 N N    . DLE B 1 10 ? 3.802  0.091  -11.187 1.00 0.00 ? 10 DLE B N    1 
HETATM 415 C CA   . DLE B 1 10 ? 4.084  -1.315 -10.938 1.00 0.00 ? 10 DLE B CA   1 
HETATM 416 C CB   . DLE B 1 10 ? 5.589  -1.710 -10.754 1.00 0.00 ? 10 DLE B CB   1 
HETATM 417 C CG   . DLE B 1 10 ? 6.604  -1.741 -11.940 1.00 0.00 ? 10 DLE B CG   1 
HETATM 418 C CD1  . DLE B 1 10 ? 6.233  -2.906 -12.882 1.00 0.00 ? 10 DLE B CD1  1 
HETATM 419 C CD2  . DLE B 1 10 ? 7.020  -0.459 -12.675 1.00 0.00 ? 10 DLE B CD2  1 
HETATM 420 C C    . DLE B 1 10 ? 3.199  -2.182 -11.799 1.00 0.00 ? 10 DLE B C    1 
HETATM 421 O O    . DLE B 1 10 ? 3.074  -2.002 -13.007 1.00 0.00 ? 10 DLE B O    1 
HETATM 422 H H    . DLE B 1 10 ? 3.512  0.461  -12.077 1.00 0.00 ? 10 DLE B H    1 
HETATM 423 H HA   . DLE B 1 10 ? 3.784  -1.549 -9.925  1.00 0.00 ? 10 DLE B HA   1 
HETATM 424 H HB2  . DLE B 1 10 ? 6.085  -1.043 -10.012 1.00 0.00 ? 10 DLE B HB2  1 
HETATM 425 H HB3  . DLE B 1 10 ? 5.573  -2.816 -10.592 1.00 0.00 ? 10 DLE B HB3  1 
HETATM 426 H HG   . DLE B 1 10 ? 7.557  -2.079 -11.450 1.00 0.00 ? 10 DLE B HG   1 
HETATM 427 H HD11 . DLE B 1 10 ? 5.244  -2.742 -13.351 1.00 0.00 ? 10 DLE B HD11 1 
HETATM 428 H HD12 . DLE B 1 10 ? 6.973  -2.981 -13.705 1.00 0.00 ? 10 DLE B HD12 1 
HETATM 429 H HD13 . DLE B 1 10 ? 6.208  -3.879 -12.359 1.00 0.00 ? 10 DLE B HD13 1 
HETATM 430 H HD21 . DLE B 1 10 ? 6.352  0.390  -12.429 1.00 0.00 ? 10 DLE B HD21 1 
HETATM 431 H HD22 . DLE B 1 10 ? 8.047  -0.181 -12.341 1.00 0.00 ? 10 DLE B HD22 1 
HETATM 432 H HD23 . DLE B 1 10 ? 7.073  -0.612 -13.763 1.00 0.00 ? 10 DLE B HD23 1 
ATOM   433 N N    . TRP B 1 11 ? 2.494  -3.121 -11.154 1.00 0.00 ? 11 TRP B N    1 
ATOM   434 C CA   . TRP B 1 11 ? 1.554  -3.953 -11.852 1.00 0.00 ? 11 TRP B CA   1 
ATOM   435 C C    . TRP B 1 11 ? 0.099  -3.612 -11.495 1.00 0.00 ? 11 TRP B C    1 
ATOM   436 O O    . TRP B 1 11 ? -0.329 -3.187 -10.415 1.00 0.00 ? 11 TRP B O    1 
ATOM   437 C CB   . TRP B 1 11 ? 1.896  -5.466 -11.683 1.00 0.00 ? 11 TRP B CB   1 
ATOM   438 C CG   . TRP B 1 11 ? 3.180  -5.937 -12.395 1.00 0.00 ? 11 TRP B CG   1 
ATOM   439 C CD1  . TRP B 1 11 ? 3.335  -6.468 -13.651 1.00 0.00 ? 11 TRP B CD1  1 
ATOM   440 C CD2  . TRP B 1 11 ? 4.503  -5.949 -11.812 1.00 0.00 ? 11 TRP B CD2  1 
ATOM   441 N NE1  . TRP B 1 11 ? 4.650  -6.855 -13.852 1.00 0.00 ? 11 TRP B NE1  1 
ATOM   442 C CE2  . TRP B 1 11 ? 5.381  -6.538 -12.744 1.00 0.00 ? 11 TRP B CE2  1 
ATOM   443 C CE3  . TRP B 1 11 ? 4.983  -5.521 -10.583 1.00 0.00 ? 11 TRP B CE3  1 
ATOM   444 C CZ2  . TRP B 1 11 ? 6.737  -6.710 -12.470 1.00 0.00 ? 11 TRP B CZ2  1 
ATOM   445 C CZ3  . TRP B 1 11 ? 6.352  -5.702 -10.295 1.00 0.00 ? 11 TRP B CZ3  1 
ATOM   446 C CH2  . TRP B 1 11 ? 7.215  -6.306 -11.211 1.00 0.00 ? 11 TRP B CH2  1 
ATOM   447 H H    . TRP B 1 11 ? 2.517  -3.276 -10.166 1.00 0.00 ? 11 TRP B H    1 
ATOM   448 H HA   . TRP B 1 11 ? 1.616  -3.776 -12.919 1.00 0.00 ? 11 TRP B HA   1 
ATOM   449 H HB2  . TRP B 1 11 ? 1.966  -5.698 -10.600 1.00 0.00 ? 11 TRP B HB2  1 
ATOM   450 H HB3  . TRP B 1 11 ? 1.065  -6.078 -12.095 1.00 0.00 ? 11 TRP B HB3  1 
ATOM   451 H HD1  . TRP B 1 11 ? 2.623  -6.476 -14.465 1.00 0.00 ? 11 TRP B HD1  1 
ATOM   452 H HE1  . TRP B 1 11 ? 5.079  -7.169 -14.670 1.00 0.00 ? 11 TRP B HE1  1 
ATOM   453 H HE3  . TRP B 1 11 ? 4.316  -5.064 -9.865  1.00 0.00 ? 11 TRP B HE3  1 
ATOM   454 H HZ2  . TRP B 1 11 ? 7.400  -7.179 -13.178 1.00 0.00 ? 11 TRP B HZ2  1 
ATOM   455 H HZ3  . TRP B 1 11 ? 6.620  -5.569 -9.262  1.00 0.00 ? 11 TRP B HZ3  1 
ATOM   456 H HH2  . TRP B 1 11 ? 8.248  -6.481 -10.940 1.00 0.00 ? 11 TRP B HH2  1 
HETATM 457 N N    . DLE B 1 12 ? -0.756 -3.880 -12.476 1.00 0.00 ? 12 DLE B N    1 
HETATM 458 C CA   . DLE B 1 12 ? -2.177 -3.909 -12.358 1.00 0.00 ? 12 DLE B CA   1 
HETATM 459 C CB   . DLE B 1 12 ? -2.432 -5.325 -12.909 1.00 0.00 ? 12 DLE B CB   1 
HETATM 460 C CG   . DLE B 1 12 ? -3.820 -5.938 -13.104 1.00 0.00 ? 12 DLE B CG   1 
HETATM 461 C CD1  . DLE B 1 12 ? -4.867 -6.142 -11.991 1.00 0.00 ? 12 DLE B CD1  1 
HETATM 462 C CD2  . DLE B 1 12 ? -4.713 -5.106 -14.029 1.00 0.00 ? 12 DLE B CD2  1 
HETATM 463 C C    . DLE B 1 12 ? -2.695 -2.764 -13.229 1.00 0.00 ? 12 DLE B C    1 
HETATM 464 O O    . DLE B 1 12 ? -2.444 -2.709 -14.432 1.00 0.00 ? 12 DLE B O    1 
HETATM 465 H H    . DLE B 1 12 ? -0.451 -4.203 -13.366 1.00 0.00 ? 12 DLE B H    1 
HETATM 466 H HA   . DLE B 1 12 ? -2.484 -3.789 -11.321 1.00 0.00 ? 12 DLE B HA   1 
HETATM 467 H HB2  . DLE B 1 12 ? -1.970 -5.306 -13.930 1.00 0.00 ? 12 DLE B HB2  1 
HETATM 468 H HB3  . DLE B 1 12 ? -1.776 -6.080 -12.419 1.00 0.00 ? 12 DLE B HB3  1 
HETATM 469 H HG   . DLE B 1 12 ? -3.632 -7.011 -13.344 1.00 0.00 ? 12 DLE B HG   1 
HETATM 470 H HD11 . DLE B 1 12 ? -5.097 -5.170 -11.515 1.00 0.00 ? 12 DLE B HD11 1 
HETATM 471 H HD12 . DLE B 1 12 ? -5.798 -6.612 -12.366 1.00 0.00 ? 12 DLE B HD12 1 
HETATM 472 H HD13 . DLE B 1 12 ? -4.444 -6.793 -11.197 1.00 0.00 ? 12 DLE B HD13 1 
HETATM 473 H HD21 . DLE B 1 12 ? -4.196 -4.922 -14.994 1.00 0.00 ? 12 DLE B HD21 1 
HETATM 474 H HD22 . DLE B 1 12 ? -5.662 -5.642 -14.232 1.00 0.00 ? 12 DLE B HD22 1 
HETATM 475 H HD23 . DLE B 1 12 ? -4.950 -4.119 -13.571 1.00 0.00 ? 12 DLE B HD23 1 
ATOM   476 N N    . TRP B 1 13 ? -3.390 -1.796 -12.611 1.00 0.00 ? 13 TRP B N    1 
ATOM   477 C CA   . TRP B 1 13 ? -3.807 -0.613 -13.327 1.00 0.00 ? 13 TRP B CA   1 
ATOM   478 C C    . TRP B 1 13 ? -2.884 0.571  -13.029 1.00 0.00 ? 13 TRP B C    1 
ATOM   479 O O    . TRP B 1 13 ? -2.299 0.743  -11.956 1.00 0.00 ? 13 TRP B O    1 
ATOM   480 C CB   . TRP B 1 13 ? -5.296 -0.243 -13.028 1.00 0.00 ? 13 TRP B CB   1 
ATOM   481 C CG   . TRP B 1 13 ? -6.303 -1.291 -13.496 1.00 0.00 ? 13 TRP B CG   1 
ATOM   482 C CD1  . TRP B 1 13 ? -6.904 -1.439 -14.713 1.00 0.00 ? 13 TRP B CD1  1 
ATOM   483 C CD2  . TRP B 1 13 ? -6.799 -2.367 -12.681 1.00 0.00 ? 13 TRP B CD2  1 
ATOM   484 N NE1  . TRP B 1 13 ? -7.670 -2.588 -14.744 1.00 0.00 ? 13 TRP B NE1  1 
ATOM   485 C CE2  . TRP B 1 13 ? -7.633 -3.165 -13.498 1.00 0.00 ? 13 TRP B CE2  1 
ATOM   486 C CE3  . TRP B 1 13 ? -6.568 -2.694 -11.342 1.00 0.00 ? 13 TRP B CE3  1 
ATOM   487 C CZ2  . TRP B 1 13 ? -8.231 -4.314 -12.993 1.00 0.00 ? 13 TRP B CZ2  1 
ATOM   488 C CZ3  . TRP B 1 13 ? -7.195 -3.834 -10.825 1.00 0.00 ? 13 TRP B CZ3  1 
ATOM   489 C CH2  . TRP B 1 13 ? -7.994 -4.643 -11.643 1.00 0.00 ? 13 TRP B CH2  1 
ATOM   490 H H    . TRP B 1 13 ? -3.608 -1.833 -11.636 1.00 0.00 ? 13 TRP B H    1 
ATOM   491 H HA   . TRP B 1 13 ? -3.748 -0.790 -14.392 1.00 0.00 ? 13 TRP B HA   1 
ATOM   492 H HB2  . TRP B 1 13 ? -5.421 -0.086 -11.933 1.00 0.00 ? 13 TRP B HB2  1 
ATOM   493 H HB3  . TRP B 1 13 ? -5.565 0.706  -13.537 1.00 0.00 ? 13 TRP B HB3  1 
ATOM   494 H HD1  . TRP B 1 13 ? -6.737 -0.816 -15.582 1.00 0.00 ? 13 TRP B HD1  1 
ATOM   495 H HE1  . TRP B 1 13 ? -8.223 -2.805 -15.519 1.00 0.00 ? 13 TRP B HE1  1 
ATOM   496 H HE3  . TRP B 1 13 ? -5.878 -2.076 -10.801 1.00 0.00 ? 13 TRP B HE3  1 
ATOM   497 H HZ2  . TRP B 1 13 ? -8.894 -4.957 -13.546 1.00 0.00 ? 13 TRP B HZ2  1 
ATOM   498 H HZ3  . TRP B 1 13 ? -7.060 -4.086 -9.787  1.00 0.00 ? 13 TRP B HZ3  1 
ATOM   499 H HH2  . TRP B 1 13 ? -8.436 -5.558 -11.270 1.00 0.00 ? 13 TRP B HH2  1 
HETATM 500 N N    . DLE B 1 14 ? -2.817 1.500  -13.987 1.00 0.00 ? 14 DLE B N    1 
HETATM 501 C CA   . DLE B 1 14 ? -2.265 2.823  -13.964 1.00 0.00 ? 14 DLE B CA   1 
HETATM 502 C CB   . DLE B 1 14 ? -3.541 3.581  -14.445 1.00 0.00 ? 14 DLE B CB   1 
HETATM 503 C CG   . DLE B 1 14 ? -3.621 5.091  -14.749 1.00 0.00 ? 14 DLE B CG   1 
HETATM 504 C CD1  . DLE B 1 14 ? -3.639 6.178  -13.637 1.00 0.00 ? 14 DLE B CD1  1 
HETATM 505 C CD2  . DLE B 1 14 ? -2.515 5.595  -15.667 1.00 0.00 ? 14 DLE B CD2  1 
HETATM 506 C C    . DLE B 1 14 ? -1.010 2.838  -14.868 1.00 0.00 ? 14 DLE B C    1 
HETATM 507 O O    . DLE B 1 14 ? -1.071 2.592  -16.074 1.00 0.00 ? 14 DLE B O    1 
HETATM 508 H H    . DLE B 1 14 ? -3.293 1.340  -14.845 1.00 0.00 ? 14 DLE B H    1 
HETATM 509 H HA   . DLE B 1 14 ? -1.994 3.071  -12.944 1.00 0.00 ? 14 DLE B HA   1 
HETATM 510 H HB2  . DLE B 1 14 ? -3.800 3.160  -15.450 1.00 0.00 ? 14 DLE B HB2  1 
HETATM 511 H HB3  . DLE B 1 14 ? -4.293 3.369  -13.652 1.00 0.00 ? 14 DLE B HB3  1 
HETATM 512 H HG   . DLE B 1 14 ? -4.707 5.235  -14.976 1.00 0.00 ? 14 DLE B HG   1 
HETATM 513 H HD11 . DLE B 1 14 ? -2.944 5.899  -12.821 1.00 0.00 ? 14 DLE B HD11 1 
HETATM 514 H HD12 . DLE B 1 14 ? -3.361 7.172  -14.027 1.00 0.00 ? 14 DLE B HD12 1 
HETATM 515 H HD13 . DLE B 1 14 ? -4.657 6.253  -13.193 1.00 0.00 ? 14 DLE B HD13 1 
HETATM 516 H HD21 . DLE B 1 14 ? -2.508 5.011  -16.612 1.00 0.00 ? 14 DLE B HD21 1 
HETATM 517 H HD22 . DLE B 1 14 ? -2.675 6.659  -15.929 1.00 0.00 ? 14 DLE B HD22 1 
HETATM 518 H HD23 . DLE B 1 14 ? -1.519 5.501  -15.184 1.00 0.00 ? 14 DLE B HD23 1 
ATOM   519 N N    . TRP B 1 15 ? 0.175  3.084  -14.261 1.00 0.00 ? 15 TRP B N    1 
ATOM   520 C CA   . TRP B 1 15 ? 1.450  3.102  -14.978 1.00 0.00 ? 15 TRP B CA   1 
ATOM   521 C C    . TRP B 1 15 ? 2.340  1.890  -14.693 1.00 0.00 ? 15 TRP B C    1 
ATOM   522 O O    . TRP B 1 15 ? 2.670  1.535  -13.562 1.00 0.00 ? 15 TRP B O    1 
ATOM   523 C CB   . TRP B 1 15 ? 2.275  4.385  -14.688 1.00 0.00 ? 15 TRP B CB   1 
ATOM   524 C CG   . TRP B 1 15 ? 1.599  5.670  -15.122 1.00 0.00 ? 15 TRP B CG   1 
ATOM   525 C CD1  . TRP B 1 15 ? 1.638  6.295  -16.341 1.00 0.00 ? 15 TRP B CD1  1 
ATOM   526 C CD2  . TRP B 1 15 ? 0.732  6.459  -14.291 1.00 0.00 ? 15 TRP B CD2  1 
ATOM   527 N NE1  . TRP B 1 15 ? 0.804  7.394  -16.342 1.00 0.00 ? 15 TRP B NE1  1 
ATOM   528 C CE2  . TRP B 1 15 ? 0.250  7.522  -15.086 1.00 0.00 ? 15 TRP B CE2  1 
ATOM   529 C CE3  . TRP B 1 15 ? 0.341  6.311  -12.968 1.00 0.00 ? 15 TRP B CE3  1 
ATOM   530 C CZ2  . TRP B 1 15 ? -0.638 8.457  -14.568 1.00 0.00 ? 15 TRP B CZ2  1 
ATOM   531 C CZ3  . TRP B 1 15 ? -0.561 7.248  -12.446 1.00 0.00 ? 15 TRP B CZ3  1 
ATOM   532 C CH2  . TRP B 1 15 ? -1.048 8.304  -13.233 1.00 0.00 ? 15 TRP B CH2  1 
ATOM   533 H H    . TRP B 1 15 ? 0.219  3.319  -13.292 1.00 0.00 ? 15 TRP B H    1 
ATOM   534 H HA   . TRP B 1 15 ? 1.253  3.094  -16.039 1.00 0.00 ? 15 TRP B HA   1 
ATOM   535 H HB2  . TRP B 1 15 ? 2.467  4.433  -13.597 1.00 0.00 ? 15 TRP B HB2  1 
ATOM   536 H HB3  . TRP B 1 15 ? 3.253  4.335  -15.209 1.00 0.00 ? 15 TRP B HB3  1 
ATOM   537 H HD1  . TRP B 1 15 ? 2.155  5.943  -17.222 1.00 0.00 ? 15 TRP B HD1  1 
ATOM   538 H HE1  . TRP B 1 15 ? 0.785  8.045  -17.070 1.00 0.00 ? 15 TRP B HE1  1 
ATOM   539 H HE3  . TRP B 1 15 ? 0.701  5.499  -12.354 1.00 0.00 ? 15 TRP B HE3  1 
ATOM   540 H HZ2  . TRP B 1 15 ? -1.036 9.239  -15.191 1.00 0.00 ? 15 TRP B HZ2  1 
ATOM   541 H HZ3  . TRP B 1 15 ? -0.936 7.144  -11.437 1.00 0.00 ? 15 TRP B HZ3  1 
ATOM   542 H HH2  . TRP B 1 15 ? -1.750 8.986  -12.773 1.00 0.00 ? 15 TRP B HH2  1 
HETATM 543 C CA   . ETA B 1 16 ? 3.657  0.080  -15.674 1.00 0.00 ? 16 ETA B CA   1 
HETATM 544 N N    . ETA B 1 16 ? 2.813  1.244  -15.775 1.00 0.00 ? 16 ETA B N    1 
HETATM 545 C CB   . ETA B 1 16 ? 5.148  0.421  -15.604 1.00 0.00 ? 16 ETA B CB   1 
HETATM 546 O O    . ETA B 1 16 ? 5.921  -0.752 -15.827 1.00 0.00 ? 16 ETA B O    1 
HETATM 547 H HA1  . ETA B 1 16 ? 3.383  -0.525 -14.780 1.00 0.00 ? 16 ETA B HA1  1 
HETATM 548 H HA2  . ETA B 1 16 ? 3.492  -0.565 -16.560 1.00 0.00 ? 16 ETA B HA2  1 
HETATM 549 H HN1  . ETA B 1 16 ? 2.507  1.491  -16.687 1.00 0.00 ? 16 ETA B HN1  1 
HETATM 550 H HB1  . ETA B 1 16 ? 5.410  1.174  -16.373 1.00 0.00 ? 16 ETA B HB1  1 
HETATM 551 H HB2  . ETA B 1 16 ? 5.374  0.849  -14.601 1.00 0.00 ? 16 ETA B HB2  1 
HETATM 552 H HO   . ETA B 1 16 ? 5.736  -1.339 -15.086 1.00 0.00 ? 16 ETA B HO   1 
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1  FVA 1  1  1  FVA FVA A . n 
A 1 2  GLY 2  2  2  GLY GLY A . n 
A 1 3  ALA 3  3  3  ALA ALA A . n 
A 1 4  DLE 4  4  4  DLE DLE A . n 
A 1 5  ALA 5  5  5  ALA ALA A . n 
A 1 6  DVA 6  6  6  DVA DVA A . n 
A 1 7  VAL 7  7  7  VAL VAL A . n 
A 1 8  DVA 8  8  8  DVA DVA A . n 
A 1 9  TRP 9  9  9  TRP TRP A . n 
A 1 10 DLE 10 10 10 DLE DLE A . n 
A 1 11 TRP 11 11 11 TRP TRP A . n 
A 1 12 DLE 12 12 12 DLE DLE A . n 
A 1 13 TRP 13 13 13 TRP TRP A . n 
A 1 14 DLE 14 14 14 DLE DLE A . n 
A 1 15 TRP 15 15 15 TRP TRP A . n 
A 1 16 ETA 16 16 16 ETA ETA A . n 
B 1 1  FVA 1  1  1  FVA FVA B . n 
B 1 2  GLY 2  2  2  GLY GLY B . n 
B 1 3  ALA 3  3  3  ALA ALA B . n 
B 1 4  DLE 4  4  4  DLE DLE B . n 
B 1 5  ALA 5  5  5  ALA ALA B . n 
B 1 6  DVA 6  6  6  DVA DVA B . n 
B 1 7  VAL 7  7  7  VAL VAL B . n 
B 1 8  DVA 8  8  8  DVA DVA B . n 
B 1 9  TRP 9  9  9  TRP TRP B . n 
B 1 10 DLE 10 10 10 DLE DLE B . n 
B 1 11 TRP 11 11 11 TRP TRP B . n 
B 1 12 DLE 12 12 12 DLE DLE B . n 
B 1 13 TRP 13 13 13 TRP TRP B . n 
B 1 14 DLE 14 14 14 DLE DLE B . n 
B 1 15 TRP 15 15 15 TRP TRP B . n 
B 1 16 ETA 16 16 16 ETA ETA B . n 
# 
_pdbx_molecule_features.prd_id    PRD_000150 
_pdbx_molecule_features.name      'GRAMICIDIN A' 
_pdbx_molecule_features.type      Polypeptide 
_pdbx_molecule_features.class     Antibiotic 
_pdbx_molecule_features.details   
;GRAMICIDIN A IS A HEXADECAMERIC HELICAL PEPTIDE
  WITH ALTERNATING D,L CHARACTERISTICS.
  THE N-TERM IS FORMYLATED (RESIDUE 0).
  THE C-TERM IS CAPPED WITH ETHANOLAMINE (RESIDUE 16).
;
# 
loop_
_pdbx_molecule.instance_id 
_pdbx_molecule.prd_id 
_pdbx_molecule.asym_id 
1 PRD_000150 A 
2 PRD_000150 B 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   dimeric 
_pdbx_struct_assembly.oligomeric_count     2 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B 
# 
loop_
_pdbx_struct_assembly_prop.biol_id 
_pdbx_struct_assembly_prop.type 
_pdbx_struct_assembly_prop.value 
_pdbx_struct_assembly_prop.details 
1 'ABSA (A^2)' 770  ? 
1 MORE         -2   ? 
1 'SSA (A^2)'  2810 ? 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   ? 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
loop_
_pdbx_audit_revision_history.ordinal 
_pdbx_audit_revision_history.data_content_type 
_pdbx_audit_revision_history.major_revision 
_pdbx_audit_revision_history.minor_revision 
_pdbx_audit_revision_history.revision_date 
1 'Structure model' 1 0 1997-01-11 
2 'Structure model' 1 1 2011-06-14 
3 'Structure model' 1 2 2011-07-13 
4 'Structure model' 1 3 2011-07-27 
5 'Structure model' 1 4 2012-12-12 
6 'Structure model' 1 5 2017-12-20 
7 'Structure model' 1 6 2018-03-14 
# 
_pdbx_audit_revision_details.ordinal             1 
_pdbx_audit_revision_details.revision_ordinal    1 
_pdbx_audit_revision_details.data_content_type   'Structure model' 
_pdbx_audit_revision_details.provider            repository 
_pdbx_audit_revision_details.type                'Initial release' 
_pdbx_audit_revision_details.description         ? 
# 
loop_
_pdbx_audit_revision_group.ordinal 
_pdbx_audit_revision_group.revision_ordinal 
_pdbx_audit_revision_group.data_content_type 
_pdbx_audit_revision_group.group 
1  2 'Structure model' 'Version format compliance' 
2  3 'Structure model' 'Version format compliance' 
3  4 'Structure model' 'Atomic model'              
4  4 'Structure model' 'Database references'       
5  4 'Structure model' 'Derived calculations'      
6  4 'Structure model' 'Non-polymer description'   
7  4 'Structure model' 'Structure summary'         
8  5 'Structure model' Other                       
9  6 'Structure model' 'Database references'       
10 6 'Structure model' Other                       
11 7 'Structure model' 'Data collection'           
12 7 'Structure model' 'Derived calculations'      
13 7 'Structure model' 'Refinement description'    
# 
loop_
_pdbx_audit_revision_category.ordinal 
_pdbx_audit_revision_category.revision_ordinal 
_pdbx_audit_revision_category.data_content_type 
_pdbx_audit_revision_category.category 
1  6 'Structure model' citation                    
2  6 'Structure model' pdbx_database_status        
3  7 'Structure model' diffrn                      
4  7 'Structure model' diffrn_radiation            
5  7 'Structure model' diffrn_radiation_wavelength 
6  7 'Structure model' pdbx_nmr_refine             
7  7 'Structure model' pdbx_nmr_software           
8  7 'Structure model' pdbx_nmr_spectrometer       
9  7 'Structure model' pdbx_struct_assembly        
10 7 'Structure model' pdbx_struct_assembly_prop   
11 7 'Structure model' pdbx_struct_oper_list       
# 
loop_
_pdbx_audit_revision_item.ordinal 
_pdbx_audit_revision_item.revision_ordinal 
_pdbx_audit_revision_item.data_content_type 
_pdbx_audit_revision_item.item 
1  6 'Structure model' '_citation.pdbx_database_id_DOI'            
2  6 'Structure model' '_pdbx_database_status.process_site'        
3  7 'Structure model' '_pdbx_nmr_refine.details'                  
4  7 'Structure model' '_pdbx_nmr_refine.method'                   
5  7 'Structure model' '_pdbx_nmr_software.authors'                
6  7 'Structure model' '_pdbx_nmr_spectrometer.field_strength'     
7  7 'Structure model' '_pdbx_nmr_spectrometer.model'              
8  7 'Structure model' '_pdbx_struct_assembly.details'             
9  7 'Structure model' '_pdbx_struct_assembly.method_details'      
10 7 'Structure model' '_pdbx_struct_assembly_prop.value'          
11 7 'Structure model' '_pdbx_struct_oper_list.symmetry_operation' 
# 
_pdbx_entry_details.entry_id             1MAG 
_pdbx_entry_details.compound_details     
;GRAMICIDIN IS A HETEROGENEOUS MIXTURE OF SEVERAL COMPOUNDS
 INCLUDING GRAMICIDIN A, B AND C WHICH ARE OBTAINED FROM
 BACILLUS BREVIS AND CALLED COLLECTIVELY GRAMICIDIN D
 HERE, GRAMICIDIN A IS REPRESENTED BY THE SEQUENCE (SEQRES)
;
_pdbx_entry_details.source_details       ? 
_pdbx_entry_details.nonpolymer_details   ? 
_pdbx_entry_details.sequence_details     ? 
# 
loop_
_pdbx_validate_rmsd_angle.id 
_pdbx_validate_rmsd_angle.PDB_model_num 
_pdbx_validate_rmsd_angle.auth_atom_id_1 
_pdbx_validate_rmsd_angle.auth_asym_id_1 
_pdbx_validate_rmsd_angle.auth_comp_id_1 
_pdbx_validate_rmsd_angle.auth_seq_id_1 
_pdbx_validate_rmsd_angle.PDB_ins_code_1 
_pdbx_validate_rmsd_angle.label_alt_id_1 
_pdbx_validate_rmsd_angle.auth_atom_id_2 
_pdbx_validate_rmsd_angle.auth_asym_id_2 
_pdbx_validate_rmsd_angle.auth_comp_id_2 
_pdbx_validate_rmsd_angle.auth_seq_id_2 
_pdbx_validate_rmsd_angle.PDB_ins_code_2 
_pdbx_validate_rmsd_angle.label_alt_id_2 
_pdbx_validate_rmsd_angle.auth_atom_id_3 
_pdbx_validate_rmsd_angle.auth_asym_id_3 
_pdbx_validate_rmsd_angle.auth_comp_id_3 
_pdbx_validate_rmsd_angle.auth_seq_id_3 
_pdbx_validate_rmsd_angle.PDB_ins_code_3 
_pdbx_validate_rmsd_angle.label_alt_id_3 
_pdbx_validate_rmsd_angle.angle_value 
_pdbx_validate_rmsd_angle.angle_target_value 
_pdbx_validate_rmsd_angle.angle_deviation 
_pdbx_validate_rmsd_angle.angle_standard_deviation 
_pdbx_validate_rmsd_angle.linker_flag 
1  1 CB A DLE 4  ? ? CG A DLE 4  ? ? CD2 A DLE 4  ? ? 128.66 111.00 17.66  1.70 N 
2  1 CB A DLE 10 ? ? CG A DLE 10 ? ? CD2 A DLE 10 ? ? 121.55 111.00 10.55  1.70 N 
3  1 CB A DLE 12 ? ? CG A DLE 12 ? ? CD1 A DLE 12 ? ? 125.25 111.00 14.25  1.70 N 
4  1 N  A DLE 14 ? ? CA A DLE 14 ? ? CB  A DLE 14 ? ? 97.38  110.40 -13.02 2.00 N 
5  1 CB A DLE 14 ? ? CG A DLE 14 ? ? CD1 A DLE 14 ? ? 122.95 111.00 11.95  1.70 N 
6  1 CB B DLE 4  ? ? CG B DLE 4  ? ? CD2 B DLE 4  ? ? 128.66 111.00 17.66  1.70 N 
7  1 CB B DLE 10 ? ? CG B DLE 10 ? ? CD2 B DLE 10 ? ? 121.55 111.00 10.55  1.70 N 
8  1 CB B DLE 12 ? ? CG B DLE 12 ? ? CD1 B DLE 12 ? ? 125.25 111.00 14.25  1.70 N 
9  1 N  B DLE 14 ? ? CA B DLE 14 ? ? CB  B DLE 14 ? ? 97.38  110.40 -13.02 2.00 N 
10 1 CB B DLE 14 ? ? CG B DLE 14 ? ? CD1 B DLE 14 ? ? 122.95 111.00 11.95  1.70 N 
# 
