data_ma-asfv-asfvg-019
_entry.id ma-asfv-asfvg-019
_entry.ma_collection_id ma-asfv-asfvg

_struct.entry_id ma-asfv-asfvg-019
_struct.pdbx_model_details
'Model generated using AlphaFold (v2.2.0) producing 5 models with 3 recycles each, with AMBER relaxation, using templates, ranked by pLDDT, starting from an MSA with full_dbs setting.'
_struct.pdbx_structure_determination_methodology computational
_struct.title 'AlphaFold model for ASFV-G ASFV G ACD 00320'

_audit_conform.dict_location https://raw.githubusercontent.com/ihmwg/ModelCIF/557bda7/base/mmcif_ma-core.dic
_audit_conform.dict_name mmcif_ma.dic
_audit_conform.dict_version 1.4.1

loop_
_citation.id
_citation.title
_citation.journal_abbrev
_citation.journal_volume
_citation.page_first
_citation.page_last
_citation.year
_citation.pdbx_database_id_PubMed
_citation.pdbx_database_id_DOI
1 'Highly accurate protein structure prediction with AlphaFold.' Nature 596 583 589 2021 34265844 10.1038/s41586-021-03819-2

loop_
_citation_author.citation_id
_citation_author.name
_citation_author.ordinal
1 'Jumper, J.' 1
1 'Evans, R.' 2
1 'Pritzel, A.' 3
1 'Green, T.' 4
1 'Figurnov, M.' 5
1 'Ronneberger, O.' 6
1 'Tunyasuvunakool, K.' 7
1 'Bates, R.' 8
1 'Zidek, A.' 9
1 'Potapenko, A.' 10
1 'Bridgland, A.' 11
1 'Meyer, C.' 12
1 'Kohl, S.A.A.' 13
1 'Ballard, A.J.' 14
1 'Cowie, A.' 15
1 'Romera-Paredes, B.' 16
1 'Nikolov, S.' 17
1 'Jain, R.' 18
1 'Adler, J.' 19
1 'Back, T.' 20
1 'Petersen, S.' 21
1 'Reiman, D.' 22
1 'Clancy, E.' 23
1 'Zielinski, M.' 24
1 'Steinegger, M.' 25
1 'Pacholska, M.' 26
1 'Berghammer, T.' 27
1 'Bodenstein, S.' 28
1 'Silver, D.' 29
1 'Vinyals, O.' 30
1 'Senior, A.W.' 31
1 'Kavukcuoglu, K.' 32
1 'Kohli, P.' 33
1 'Hassabis, D.' 34

loop_
_software.pdbx_ordinal
_software.name
_software.classification
_software.description
_software.version
_software.type
_software.location
_software.citation_id
1 AlphaFold 'model building' 'Structure prediction' 2.2.0 package https://github.com/deepmind/alphafold 1

loop_
_ma_software_parameter.parameter_id
_ma_software_parameter.group_id
_ma_software_parameter.data_type
_ma_software_parameter.name
_ma_software_parameter.value
_ma_software_parameter.description
1 1 string model_preset monomer .
2 1 string db_preset full_dbs .
3 1 boolean use_gpu_relax YES .
4 1 string max_template_date 2020-05-14 .

loop_
_ma_software_group.ordinal_id
_ma_software_group.group_id
_ma_software_group.software_id
_ma_software_group.parameter_group_id
1 1 1 1

loop_
_audit_author.name
_audit_author.pdbx_ordinal
'Spinard, Edward' 1
'Azzinaro, Paul' 2
'Rai, Ayushi' 3
'Espinoza, Nallely' 4
'Ramirez-Medina, Elizabeth' 5
'Valladares, Alyssa' 6
'Borca, Manuel' 7
'Gladue, Douglas' 8

loop_
_chem_comp.id
_chem_comp.type
_chem_comp.name
_chem_comp.formula
_chem_comp.formula_weight
_chem_comp.ma_provenance
ALA 'L-peptide linking' ALANINE 'C3 H7 N O2' 89.094 'CCD Core'
ASN 'L-peptide linking' ASPARAGINE 'C4 H8 N2 O3' 132.119 'CCD Core'
ASP 'L-peptide linking' 'ASPARTIC ACID' 'C4 H7 N O4' 133.103 'CCD Core'
GLN 'L-peptide linking' GLUTAMINE 'C5 H10 N2 O3' 146.146 'CCD Core'
GLU 'L-peptide linking' 'GLUTAMIC ACID' 'C5 H9 N O4' 147.130 'CCD Core'
GLY 'peptide linking' GLYCINE 'C2 H5 N O2' 75.067 'CCD Core'
HIS 'L-peptide linking' HISTIDINE 'C6 H10 N3 O2 1' 156.165 'CCD Core'
ILE 'L-peptide linking' ISOLEUCINE 'C6 H13 N O2' 131.175 'CCD Core'
LEU 'L-peptide linking' LEUCINE 'C6 H13 N O2' 131.175 'CCD Core'
MET 'L-peptide linking' METHIONINE 'C5 H11 N O2 S' 149.208 'CCD Core'
PHE 'L-peptide linking' PHENYLALANINE 'C9 H11 N O2' 165.192 'CCD Core'
SER 'L-peptide linking' SERINE 'C3 H7 N O3' 105.093 'CCD Core'
THR 'L-peptide linking' THREONINE 'C4 H9 N O3' 119.120 'CCD Core'
TRP 'L-peptide linking' TRYPTOPHAN 'C11 H12 N2 O2' 204.229 'CCD Core'
VAL 'L-peptide linking' VALINE 'C5 H11 N O2' 117.148 'CCD Core'

loop_
_entity.id
_entity.type
_entity.src_method
_entity.pdbx_description
_entity.formula_weight
_entity.pdbx_number_of_molecules
_entity.details
1 polymer nat 'ASFV-G ASFV G ACD 00320 protein' 5330.072 1 .

loop_
_entity_src_nat.entity_id
_entity_src_nat.pdbx_src_id
_entity_src_nat.pdbx_ncbi_taxonomy_id
_entity_src_nat.pdbx_organism_scientific
_entity_src_nat.common_name
_entity_src_nat.strain
1 1 10497 'African swine fever virus (ASFV)' . .

loop_
_ma_target_ref_db_details.target_entity_id
_ma_target_ref_db_details.db_name
_ma_target_ref_db_details.db_name_other_details
_ma_target_ref_db_details.db_code
_ma_target_ref_db_details.db_accession
_ma_target_ref_db_details.seq_db_isoform
_ma_target_ref_db_details.seq_db_align_begin
_ma_target_ref_db_details.seq_db_align_end
_ma_target_ref_db_details.ncbi_taxonomy_id
_ma_target_ref_db_details.organism_scientific
_ma_target_ref_db_details.seq_db_sequence_version_date
_ma_target_ref_db_details.seq_db_sequence_checksum
1 UNP . A0A2X0S718_ASF A0A2X0S718 . 1 41 10497 'African swine fever virus (ASFV)' 2018-09-12 A40B3E83374EB1E8
1 NCBI . CAD2068368.1 1886136893 . 1 41 10497 'African swine fever virus (ASFV)' 2020-08-05 .

loop_
_entity_poly.entity_id
_entity_poly.type
_entity_poly.nstd_linkage
_entity_poly.nstd_monomer
_entity_poly.pdbx_strand_id
_entity_poly.pdbx_seq_one_letter_code
_entity_poly.pdbx_seq_one_letter_code_can
1 polypeptide(L) no no A MFNISSILIQGSVMILILLLWIINENFTDAGGNNFNHTVLM MFNISSILIQGSVMILILLLWIINENFTDAGGNNFNHTVLM

loop_
_entity_poly_seq.entity_id
_entity_poly_seq.num
_entity_poly_seq.mon_id
_entity_poly_seq.hetero
1 1 MET .
1 2 PHE .
1 3 ASN .
1 4 ILE .
1 5 SER .
1 6 SER .
1 7 ILE .
1 8 LEU .
1 9 ILE .
1 10 GLN .
1 11 GLY .
1 12 SER .
1 13 VAL .
1 14 MET .
1 15 ILE .
1 16 LEU .
1 17 ILE .
1 18 LEU .
1 19 LEU .
1 20 LEU .
1 21 TRP .
1 22 ILE .
1 23 ILE .
1 24 ASN .
1 25 GLU .
1 26 ASN .
1 27 PHE .
1 28 THR .
1 29 ASP .
1 30 ALA .
1 31 GLY .
1 32 GLY .
1 33 ASN .
1 34 ASN .
1 35 PHE .
1 36 ASN .
1 37 HIS .
1 38 THR .
1 39 VAL .
1 40 LEU .
1 41 MET .

loop_
_struct_asym.id
_struct_asym.entity_id
_struct_asym.details
A 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.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
A 1 1 MET 1 1 MET MET A .
A 1 2 PHE 2 2 PHE PHE A .
A 1 3 ASN 3 3 ASN ASN A .
A 1 4 ILE 4 4 ILE ILE A .
A 1 5 SER 5 5 SER SER A .
A 1 6 SER 6 6 SER SER A .
A 1 7 ILE 7 7 ILE ILE A .
A 1 8 LEU 8 8 LEU LEU A .
A 1 9 ILE 9 9 ILE ILE A .
A 1 10 GLN 10 10 GLN GLN A .
A 1 11 GLY 11 11 GLY GLY A .
A 1 12 SER 12 12 SER SER A .
A 1 13 VAL 13 13 VAL VAL A .
A 1 14 MET 14 14 MET MET A .
A 1 15 ILE 15 15 ILE ILE A .
A 1 16 LEU 16 16 LEU LEU A .
A 1 17 ILE 17 17 ILE ILE A .
A 1 18 LEU 18 18 LEU LEU A .
A 1 19 LEU 19 19 LEU LEU A .
A 1 20 LEU 20 20 LEU LEU A .
A 1 21 TRP 21 21 TRP TRP A .
A 1 22 ILE 22 22 ILE ILE A .
A 1 23 ILE 23 23 ILE ILE A .
A 1 24 ASN 24 24 ASN ASN A .
A 1 25 GLU 25 25 GLU GLU A .
A 1 26 ASN 26 26 ASN ASN A .
A 1 27 PHE 27 27 PHE PHE A .
A 1 28 THR 28 28 THR THR A .
A 1 29 ASP 29 29 ASP ASP A .
A 1 30 ALA 30 30 ALA ALA A .
A 1 31 GLY 31 31 GLY GLY A .
A 1 32 GLY 32 32 GLY GLY A .
A 1 33 ASN 33 33 ASN ASN A .
A 1 34 ASN 34 34 ASN ASN A .
A 1 35 PHE 35 35 PHE PHE A .
A 1 36 ASN 36 36 ASN ASN A .
A 1 37 HIS 37 37 HIS HIS A .
A 1 38 THR 38 38 THR THR A .
A 1 39 VAL 39 39 VAL VAL A .
A 1 40 LEU 40 40 LEU LEU A .
A 1 41 MET 41 41 MET MET A .

loop_
_ma_data.id
_ma_data.name
_ma_data.content_type
_ma_data.content_type_other_details
1 'ASFV-G ASFV G ACD 00320 protein' target .
2 'Model 3 (top ranked model)' 'model coordinates' .
3 BFD 'reference database' .
4 MGnify 'reference database' .
5 Uniclust30 'reference database' .
8 UniRef90 'reference database' .
9 PDB70 'reference database' .

loop_
_ma_data_group.ordinal_id
_ma_data_group.group_id
_ma_data_group.data_id
1 1 1
2 1 3
3 1 4
4 1 5
7 1 8
8 1 9
9 2 2

loop_
_ma_data_ref_db.data_id
_ma_data_ref_db.name
_ma_data_ref_db.location_url
_ma_data_ref_db.version
_ma_data_ref_db.release_date
3 BFD https://storage.googleapis.com/alphafold-databases/casp14_versions/bfd_metaclust_clu_complete_id30_c90_final_seq.sorted_opt.tar.gz 6a634dc6eb105c2e9b4cba7bbae93412 .
4 MGnify https://storage.googleapis.com/alphafold-databases/casp14_versions/mgy_clusters_2018_12.fa.gz 2018_12 2018-12-06
5 Uniclust30 https://storage.googleapis.com/alphafold-databases/casp14_versions/uniclust30_2018_08_hhsuite.tar.gz 2018_08 .
8 UniRef90 ftp://ftp.uniprot.org/pub/databases/uniprot/uniref/uniref90/uniref90.fasta.gz 2022_01 2022-02-23
9 PDB70 http://wwwuser.gwdg.de/~compbiol/data/hhsuite/databases/hhsuite_dbs/old-releases/pdb70_from_mmcif_200401.tar.gz . 2020-04-01

loop_
_ma_target_entity.entity_id
_ma_target_entity.data_id
_ma_target_entity.origin
1 1 'reference database'

loop_
_ma_target_entity_instance.asym_id
_ma_target_entity_instance.entity_id
_ma_target_entity_instance.details
A 1 .

loop_
_ma_protocol_step.ordinal_id
_ma_protocol_step.protocol_id
_ma_protocol_step.step_id
_ma_protocol_step.method_type
_ma_protocol_step.step_name
_ma_protocol_step.details
_ma_protocol_step.software_group_id
_ma_protocol_step.input_data_group_id
_ma_protocol_step.output_data_group_id
1 1 1 modeling . 'Model generated using AlphaFold (v2.2.0) producing 5 models with 3 recycles each, with AMBER relaxation, using templates, ranked by pLDDT, starting from an MSA with full_dbs setting.' 1 1 2

loop_
_ma_model_list.ordinal_id
_ma_model_list.model_id
_ma_model_list.model_group_id
_ma_model_list.model_name
_ma_model_list.model_group_name
_ma_model_list.data_id
_ma_model_list.model_type
_ma_model_list.model_type_other_details
1 1 1 'Model 3 (top ranked model)' . 2 'Ab initio model' .

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_seq_id
_atom_site.auth_seq_id
_atom_site.pdbx_PDB_ins_code
_atom_site.label_asym_id
_atom_site.Cartn_x
_atom_site.Cartn_y
_atom_site.Cartn_z
_atom_site.occupancy
_atom_site.label_entity_id
_atom_site.auth_asym_id
_atom_site.B_iso_or_equiv
_atom_site.pdbx_PDB_model_num
ATOM 1 N N . MET 1 1 ? A -14.668 -8.140 24.817 1.000 1 A 70.460 1
ATOM 2 C CA . MET 1 1 ? A -15.303 -8.076 23.482 1.000 1 A 70.460 1
ATOM 3 C C . MET 1 1 ? A -14.237 -7.648 22.489 1.000 1 A 70.460 1
ATOM 4 O O . MET 1 1 ? A -13.583 -6.646 22.749 1.000 1 A 70.460 1
ATOM 5 C CB . MET 1 1 ? A -16.477 -7.081 23.479 1.000 1 A 70.460 1
ATOM 6 C CG . MET 1 1 ? A -17.691 -7.617 24.248 1.000 1 A 70.460 1
ATOM 7 S SD . MET 1 1 ? A -19.012 -6.397 24.435 1.000 1 A 70.460 1
ATOM 8 C CE . MET 1 1 ? A -20.411 -7.479 24.843 1.000 1 A 70.460 1
ATOM 9 H H . MET 1 1 ? A -14.263 -7.239 25.026 1.000 1 A 70.460 1
ATOM 10 H H2 . MET 1 1 ? A -13.925 -8.825 24.821 1.000 1 A 70.460 1
ATOM 11 H HA . MET 1 1 ? A -15.671 -9.059 23.191 1.000 1 A 70.460 1
ATOM 12 H HB2 . MET 1 1 ? A -16.781 -6.890 22.450 1.000 1 A 70.460 1
ATOM 13 H HB3 . MET 1 1 ? A -16.156 -6.138 23.921 1.000 1 A 70.460 1
ATOM 14 H HG2 . MET 1 1 ? A -17.389 -7.941 25.244 1.000 1 A 70.460 1
ATOM 15 H HG3 . MET 1 1 ? A -18.087 -8.478 23.709 1.000 1 A 70.460 1
ATOM 16 H HE1 . MET 1 1 ? A -21.301 -6.871 25.005 1.000 1 A 70.460 1
ATOM 17 H HE2 . MET 1 1 ? A -20.193 -8.042 25.751 1.000 1 A 70.460 1
ATOM 18 H HE3 . MET 1 1 ? A -20.597 -8.169 24.020 1.000 1 A 70.460 1
ATOM 19 H H3 . MET 1 1 ? A -15.348 -8.372 25.526 1.000 1 A 70.460 1
ATOM 20 N N . PHE 2 2 ? A -14.000 -8.411 21.418 1.000 1 A 73.580 1
ATOM 21 C CA . PHE 2 2 ? A -13.121 -7.961 20.335 1.000 1 A 73.580 1
ATOM 22 C C . PHE 2 2 ? A -13.781 -6.758 19.655 1.000 1 A 73.580 1
ATOM 23 O O . PHE 2 2 ? A -14.926 -6.856 19.216 1.000 1 A 73.580 1
ATOM 24 C CB . PHE 2 2 ? A -12.870 -9.104 19.337 1.000 1 A 73.580 1
ATOM 25 C CG . PHE 2 2 ? A -11.867 -10.137 19.819 1.000 1 A 73.580 1
ATOM 26 C CD1 . PHE 2 2 ? A -10.491 -9.918 19.612 1.000 1 A 73.580 1
ATOM 27 C CD2 . PHE 2 2 ? A -12.294 -11.314 20.464 1.000 1 A 73.580 1
ATOM 28 C CE1 . PHE 2 2 ? A -9.549 -10.864 20.052 1.000 1 A 73.580 1
ATOM 29 C CE2 . PHE 2 2 ? A -11.350 -12.258 20.910 1.000 1 A 73.580 1
ATOM 30 C CZ . PHE 2 2 ? A -9.978 -12.032 20.703 1.000 1 A 73.580 1
ATOM 31 H H . PHE 2 2 ? A -14.575 -9.218 21.222 1.000 1 A 73.580 1
ATOM 32 H HA . PHE 2 2 ? A -12.161 -7.643 20.743 1.000 1 A 73.580 1
ATOM 33 H HB2 . PHE 2 2 ? A -12.485 -8.674 18.412 1.000 1 A 73.580 1
ATOM 34 H HB3 . PHE 2 2 ? A -13.813 -9.592 19.091 1.000 1 A 73.580 1
ATOM 35 H HD1 . PHE 2 2 ? A -10.151 -9.028 19.103 1.000 1 A 73.580 1
ATOM 36 H HD2 . PHE 2 2 ? A -13.348 -11.509 20.600 1.000 1 A 73.580 1
ATOM 37 H HE1 . PHE 2 2 ? A -8.495 -10.699 19.880 1.000 1 A 73.580 1
ATOM 38 H HE2 . PHE 2 2 ? A -11.676 -13.168 21.390 1.000 1 A 73.580 1
ATOM 39 H HZ . PHE 2 2 ? A -9.254 -12.764 21.030 1.000 1 A 73.580 1
ATOM 40 N N . ASN 3 3 ? A -13.102 -5.611 19.619 1.000 1 A 85.800 1
ATOM 41 C CA . ASN 3 3 ? A -13.620 -4.435 18.934 1.000 1 A 85.800 1
ATOM 42 C C . ASN 3 3 ? A -13.453 -4.652 17.424 1.000 1 A 85.800 1
ATOM 43 O O . ASN 3 3 ? A -12.352 -4.550 16.893 1.000 1 A 85.800 1
ATOM 44 C CB . ASN 3 3 ? A -12.915 -3.175 19.473 1.000 1 A 85.800 1
ATOM 45 C CG . ASN 3 3 ? A -13.539 -1.891 18.952 1.000 1 A 85.800 1
ATOM 46 O OD1 . ASN 3 3 ? A -14.442 -1.893 18.134 1.000 1 A 85.800 1
ATOM 47 N ND2 . ASN 3 3 ? A -13.084 -0.752 19.418 1.000 1 A 85.800 1
ATOM 48 H H . ASN 3 3 ? A -12.162 -5.573 19.986 1.000 1 A 85.800 1
ATOM 49 H HA . ASN 3 3 ? A -14.684 -4.337 19.147 1.000 1 A 85.800 1
ATOM 50 H HB2 . ASN 3 3 ? A -12.987 -3.162 20.561 1.000 1 A 85.800 1
ATOM 51 H HB3 . ASN 3 3 ? A -11.862 -3.190 19.195 1.000 1 A 85.800 1
ATOM 52 H HD21 . ASN 3 3 ? A -12.332 -0.730 20.092 1.000 1 A 85.800 1
ATOM 53 H HD22 . ASN 3 3 ? A -13.538 0.087 19.084 1.000 1 A 85.800 1
ATOM 54 N N . ILE 4 4 ? A -14.535 -4.995 16.727 1.000 1 A 88.020 1
ATOM 55 C CA . ILE 4 4 ? A -14.507 -5.239 15.275 1.000 1 A 88.020 1
ATOM 56 C C . ILE 4 4 ? A -13.916 -4.025 14.543 1.000 1 A 88.020 1
ATOM 57 O O . ILE 4 4 ? A -13.121 -4.188 13.617 1.000 1 A 88.020 1
ATOM 58 C CB . ILE 4 4 ? A -15.927 -5.589 14.778 1.000 1 A 88.020 1
ATOM 59 C CG1 . ILE 4 4 ? A -16.403 -6.913 15.426 1.000 1 A 88.020 1
ATOM 60 C CG2 . ILE 4 4 ? A -15.967 -5.696 13.242 1.000 1 A 88.020 1
ATOM 61 C CD1 . ILE 4 4 ? A -17.895 -7.203 15.223 1.000 1 A 88.020 1
ATOM 62 H H . ILE 4 4 ? A -15.401 -5.140 17.225 1.000 1 A 88.020 1
ATOM 63 H HA . ILE 4 4 ? A -13.851 -6.086 15.071 1.000 1 A 88.020 1
ATOM 64 H HB . ILE 4 4 ? A -16.603 -4.789 15.079 1.000 1 A 88.020 1
ATOM 65 H HG12 . ILE 4 4 ? A -16.238 -6.881 16.503 1.000 1 A 88.020 1
ATOM 66 H HG13 . ILE 4 4 ? A -15.821 -7.744 15.026 1.000 1 A 88.020 1
ATOM 67 H HG21 . ILE 4 4 ? A -15.259 -6.449 12.896 1.000 1 A 88.020 1
ATOM 68 H HG22 . ILE 4 4 ? A -15.720 -4.739 12.783 1.000 1 A 88.020 1
ATOM 69 H HG23 . ILE 4 4 ? A -16.967 -5.963 12.900 1.000 1 A 88.020 1
ATOM 70 H HD11 . ILE 4 4 ? A -18.172 -8.081 15.805 1.000 1 A 88.020 1
ATOM 71 H HD12 . ILE 4 4 ? A -18.489 -6.353 15.560 1.000 1 A 88.020 1
ATOM 72 H HD13 . ILE 4 4 ? A -18.109 -7.405 14.173 1.000 1 A 88.020 1
ATOM 73 N N . SER 5 5 ? A -14.203 -2.811 15.022 1.000 1 A 91.240 1
ATOM 74 C CA . SER 5 5 ? A -13.653 -1.577 14.466 1.000 1 A 91.240 1
ATOM 75 C C . SER 5 5 ? A -12.123 -1.546 14.500 1.000 1 A 91.240 1
ATOM 76 O O . SER 5 5 ? A -11.514 -1.106 13.531 1.000 1 A 91.240 1
ATOM 77 C CB . SER 5 5 ? A -14.206 -0.361 15.216 1.000 1 A 91.240 1
ATOM 78 O OG . SER 5 5 ? A -15.619 -0.421 15.265 1.000 1 A 91.240 1
ATOM 79 H H . SER 5 5 ? A -14.858 -2.719 15.786 1.000 1 A 91.240 1
ATOM 80 H HA . SER 5 5 ? A -13.962 -1.497 13.424 1.000 1 A 91.240 1
ATOM 81 H HB2 . SER 5 5 ? A -13.899 0.548 14.698 1.000 1 A 91.240 1
ATOM 82 H HB3 . SER 5 5 ? A -13.806 -0.339 16.230 1.000 1 A 91.240 1
ATOM 83 H HG . SER 5 5 ? A -15.954 0.371 15.692 1.000 1 A 91.240 1
ATOM 84 N N . SER 6 6 ? A -11.474 -2.051 15.559 1.000 1 A 89.020 1
ATOM 85 C CA . SER 6 6 ? A -10.005 -2.056 15.624 1.000 1 A 89.020 1
ATOM 86 C C . SER 6 6 ? A -9.384 -3.036 14.628 1.000 1 A 89.020 1
ATOM 87 O O . SER 6 6 ? A -8.346 -2.733 14.050 1.000 1 A 89.020 1
ATOM 88 C CB . SER 6 6 ? A -9.488 -2.313 17.045 1.000 1 A 89.020 1
ATOM 89 O OG . SER 6 6 ? A -9.798 -3.604 17.532 1.000 1 A 89.020 1
ATOM 90 H H . SER 6 6 ? A -11.990 -2.547 16.271 1.000 1 A 89.020 1
ATOM 91 H HA . SER 6 6 ? A -9.654 -1.064 15.338 1.000 1 A 89.020 1
ATOM 92 H HB2 . SER 6 6 ? A -8.406 -2.185 17.055 1.000 1 A 89.020 1
ATOM 93 H HB3 . SER 6 6 ? A -9.923 -1.572 17.715 1.000 1 A 89.020 1
ATOM 94 H HG . SER 6 6 ? A -9.309 -4.257 17.026 1.000 1 A 89.020 1
ATOM 95 N N . ILE 7 7 ? A -10.032 -4.180 14.385 1.000 1 A 91.620 1
ATOM 96 C CA . ILE 7 7 ? A -9.577 -5.179 13.404 1.000 1 A 91.620 1
ATOM 97 C C . ILE 7 7 ? A -9.699 -4.620 11.983 1.000 1 A 91.620 1
ATOM 98 O O . ILE 7 7 ? A -8.764 -4.737 11.193 1.000 1 A 91.620 1
ATOM 99 C CB . ILE 7 7 ? A -10.370 -6.498 13.567 1.000 1 A 91.620 1
ATOM 100 C CG1 . ILE 7 7 ? A -10.118 -7.103 14.969 1.000 1 A 91.620 1
ATOM 101 C CG2 . ILE 7 7 ? A -9.990 -7.508 12.466 1.000 1 A 91.620 1
ATOM 102 C CD1 . ILE 7 7 ? A -11.045 -8.274 15.320 1.000 1 A 91.620 1
ATOM 103 H H . ILE 7 7 ? A -10.907 -4.340 14.864 1.000 1 A 91.620 1
ATOM 104 H HA . ILE 7 7 ? A -8.522 -5.390 13.577 1.000 1 A 91.620 1
ATOM 105 H HB . ILE 7 7 ? A -11.433 -6.277 13.471 1.000 1 A 91.620 1
ATOM 106 H HG12 . ILE 7 7 ? A -10.277 -6.342 15.732 1.000 1 A 91.620 1
ATOM 107 H HG13 . ILE 7 7 ? A -9.082 -7.435 15.040 1.000 1 A 91.620 1
ATOM 108 H HG21 . ILE 7 7 ? A -10.547 -8.438 12.586 1.000 1 A 91.620 1
ATOM 109 H HG22 . ILE 7 7 ? A -8.923 -7.723 12.506 1.000 1 A 91.620 1
ATOM 110 H HG23 . ILE 7 7 ? A -10.235 -7.117 11.478 1.000 1 A 91.620 1
ATOM 111 H HD11 . ILE 7 7 ? A -12.086 -7.972 15.202 1.000 1 A 91.620 1
ATOM 112 H HD12 . ILE 7 7 ? A -10.838 -9.135 14.684 1.000 1 A 91.620 1
ATOM 113 H HD13 . ILE 7 7 ? A -10.876 -8.565 16.356 1.000 1 A 91.620 1
ATOM 114 N N . LEU 8 8 ? A -10.824 -3.966 11.670 1.000 1 A 89.940 1
ATOM 115 C CA . LEU 8 8 ? A -11.038 -3.330 10.368 1.000 1 A 89.940 1
ATOM 116 C C . LEU 8 8 ? A -10.014 -2.219 10.104 1.000 1 A 89.940 1
ATOM 117 O O . LEU 8 8 ? A -9.470 -2.141 9.002 1.000 1 A 89.940 1
ATOM 118 C CB . LEU 8 8 ? A -12.472 -2.775 10.292 1.000 1 A 89.940 1
ATOM 119 C CG . LEU 8 8 ? A -13.577 -3.846 10.234 1.000 1 A 89.940 1
ATOM 120 C CD1 . LEU 8 8 ? A -14.944 -3.162 10.288 1.000 1 A 89.940 1
ATOM 121 C CD2 . LEU 8 8 ? A -13.509 -4.685 8.957 1.000 1 A 89.940 1
ATOM 122 H H . LEU 8 8 ? A -11.562 -3.921 12.358 1.000 1 A 89.940 1
ATOM 123 H HA . LEU 8 8 ? A -10.892 -4.070 9.582 1.000 1 A 89.940 1
ATOM 124 H HB2 . LEU 8 8 ? A -12.554 -2.153 9.401 1.000 1 A 89.940 1
ATOM 125 H HB3 . LEU 8 8 ? A -12.643 -2.134 11.157 1.000 1 A 89.940 1
ATOM 126 H HG . LEU 8 8 ? A -13.493 -4.516 11.090 1.000 1 A 89.940 1
ATOM 127 H HD11 . LEU 8 8 ? A -15.733 -3.914 10.266 1.000 1 A 89.940 1
ATOM 128 H HD12 . LEU 8 8 ? A -15.032 -2.589 11.211 1.000 1 A 89.940 1
ATOM 129 H HD13 . LEU 8 8 ? A -15.062 -2.494 9.435 1.000 1 A 89.940 1
ATOM 130 H HD21 . LEU 8 8 ? A -12.598 -5.283 8.944 1.000 1 A 89.940 1
ATOM 131 H HD22 . LEU 8 8 ? A -14.360 -5.366 8.918 1.000 1 A 89.940 1
ATOM 132 H HD23 . LEU 8 8 ? A -13.530 -4.038 8.080 1.000 1 A 89.940 1
ATOM 133 N N . ILE 9 9 ? A -9.704 -1.400 11.115 1.000 1 A 94.110 1
ATOM 134 C CA . ILE 9 9 ? A -8.673 -0.359 11.012 1.000 1 A 94.110 1
ATOM 135 C C . ILE 9 9 ? A -7.299 -0.997 10.783 1.000 1 A 94.110 1
ATOM 136 O O . ILE 9 9 ? A -6.606 -0.620 9.842 1.000 1 A 94.110 1
ATOM 137 C CB . ILE 9 9 ? A -8.697 0.558 12.256 1.000 1 A 94.110 1
ATOM 138 C CG1 . ILE 9 9 ? A -9.996 1.397 12.281 1.000 1 A 94.110 1
ATOM 139 C CG2 . ILE 9 9 ? A -7.480 1.505 12.274 1.000 1 A 94.110 1
ATOM 140 C CD1 . ILE 9 9 ? A -10.298 2.014 13.654 1.000 1 A 94.110 1
ATOM 141 H H . ILE 9 9 ? A -10.216 -1.491 11.981 1.000 1 A 94.110 1
ATOM 142 H HA . ILE 9 9 ? A -8.883 0.255 10.137 1.000 1 A 94.110 1
ATOM 143 H HB . ILE 9 9 ? A -8.660 -0.068 13.148 1.000 1 A 94.110 1
ATOM 144 H HG12 . ILE 9 9 ? A -10.849 0.779 12.002 1.000 1 A 94.110 1
ATOM 145 H HG13 . ILE 9 9 ? A -9.928 2.194 11.541 1.000 1 A 94.110 1
ATOM 146 H HG21 . ILE 9 9 ? A -6.552 0.941 12.366 1.000 1 A 94.110 1
ATOM 147 H HG22 . ILE 9 9 ? A -7.448 2.092 11.356 1.000 1 A 94.110 1
ATOM 148 H HG23 . ILE 9 9 ? A -7.531 2.183 13.127 1.000 1 A 94.110 1
ATOM 149 H HD11 . ILE 9 9 ? A -9.547 2.760 13.915 1.000 1 A 94.110 1
ATOM 150 H HD12 . ILE 9 9 ? A -11.272 2.502 13.621 1.000 1 A 94.110 1
ATOM 151 H HD13 . ILE 9 9 ? A -10.318 1.237 14.418 1.000 1 A 94.110 1
ATOM 152 N N . GLN 10 10 ? A -6.917 -1.994 11.586 1.000 1 A 92.470 1
ATOM 153 C CA . GLN 10 10 ? A -5.615 -2.653 11.463 1.000 1 A 92.470 1
ATOM 154 C C . GLN 10 10 ? A -5.433 -3.331 10.097 1.000 1 A 92.470 1
ATOM 155 O O . GLN 10 10 ? A -4.386 -3.172 9.470 1.000 1 A 92.470 1
ATOM 156 C CB . GLN 10 10 ? A -5.460 -3.653 12.615 1.000 1 A 92.470 1
ATOM 157 C CG . GLN 10 10 ? A -4.047 -4.251 12.675 1.000 1 A 92.470 1
ATOM 158 C CD . GLN 10 10 ? A -3.850 -5.167 13.878 1.000 1 A 92.470 1
ATOM 159 O OE1 . GLN 10 10 ? A -4.778 -5.667 14.493 1.000 1 A 92.470 1
ATOM 160 N NE2 . GLN 10 10 ? A -2.621 -5.427 14.267 1.000 1 A 92.470 1
ATOM 161 H H . GLN 10 10 ? A -7.526 -2.278 12.340 1.000 1 A 92.470 1
ATOM 162 H HA . GLN 10 10 ? A -4.839 -1.893 11.556 1.000 1 A 92.470 1
ATOM 163 H HB2 . GLN 10 10 ? A -5.649 -3.135 13.555 1.000 1 A 92.470 1
ATOM 164 H HB3 . GLN 10 10 ? A -6.194 -4.452 12.507 1.000 1 A 92.470 1
ATOM 165 H HG2 . GLN 10 10 ? A -3.324 -3.438 12.735 1.000 1 A 92.470 1
ATOM 166 H HG3 . GLN 10 10 ? A -3.843 -4.825 11.771 1.000 1 A 92.470 1
ATOM 167 H HE21 . GLN 10 10 ? A -2.530 -6.046 15.060 1.000 1 A 92.470 1
ATOM 168 H HE22 . GLN 10 10 ? A -1.829 -5.040 13.775 1.000 1 A 92.470 1
ATOM 169 N N . GLY 11 11 ? A -6.456 -4.039 9.607 1.000 1 A 92.850 1
ATOM 170 C CA . GLY 11 11 ? A -6.435 -4.661 8.282 1.000 1 A 92.850 1
ATOM 171 C C . GLY 11 11 ? A -6.318 -3.631 7.158 1.000 1 A 92.850 1
ATOM 172 O O . GLY 11 11 ? A -5.504 -3.796 6.253 1.000 1 A 92.850 1
ATOM 173 H H . GLY 11 11 ? A -7.282 -4.153 10.177 1.000 1 A 92.850 1
ATOM 174 H HA2 . GLY 11 11 ? A -5.592 -5.348 8.214 1.000 1 A 92.850 1
ATOM 175 H HA3 . GLY 11 11 ? A -7.359 -5.221 8.137 1.000 1 A 92.850 1
ATOM 176 N N . SER 12 12 ? A -7.063 -2.526 7.250 1.000 1 A 93.690 1
ATOM 177 C CA . SER 12 12 ? A -7.018 -1.448 6.252 1.000 1 A 93.690 1
ATOM 178 C C . SER 12 12 ? A -5.654 -0.757 6.208 1.000 1 A 93.690 1
ATOM 179 O O . SER 12 12 ? A -5.140 -0.482 5.127 1.000 1 A 93.690 1
ATOM 180 C CB . SER 12 12 ? A -8.099 -0.402 6.534 1.000 1 A 93.690 1
ATOM 181 O OG . SER 12 12 ? A -9.381 -0.997 6.557 1.000 1 A 93.690 1
ATOM 182 H H . SER 12 12 ? A -7.705 -2.437 8.025 1.000 1 A 93.690 1
ATOM 183 H HA . SER 12 12 ? A -7.206 -1.871 5.265 1.000 1 A 93.690 1
ATOM 184 H HB2 . SER 12 12 ? A -7.908 0.080 7.493 1.000 1 A 93.690 1
ATOM 185 H HB3 . SER 12 12 ? A -8.073 0.354 5.749 1.000 1 A 93.690 1
ATOM 186 H HG . SER 12 12 ? A -9.482 -1.455 7.395 1.000 1 A 93.690 1
ATOM 187 N N . VAL 13 13 ? A -5.036 -0.519 7.370 1.000 1 A 95.200 1
ATOM 188 C CA . VAL 13 13 ? A -3.688 0.065 7.463 1.000 1 A 95.200 1
ATOM 189 C C . VAL 13 13 ? A -2.649 -0.856 6.822 1.000 1 A 95.200 1
ATOM 190 O O . VAL 13 13 ? A -1.814 -0.380 6.058 1.000 1 A 95.200 1
ATOM 191 C CB . VAL 13 13 ? A -3.332 0.388 8.929 1.000 1 A 95.200 1
ATOM 192 C CG1 . VAL 13 13 ? A -1.865 0.800 9.108 1.000 1 A 95.200 1
ATOM 193 C CG2 . VAL 13 13 ? A -4.185 1.553 9.451 1.000 1 A 95.200 1
ATOM 194 H H . VAL 13 13 ? A -5.519 -0.749 8.227 1.000 1 A 95.200 1
ATOM 195 H HA . VAL 13 13 ? A -3.670 0.997 6.898 1.000 1 A 95.200 1
ATOM 196 H HB . VAL 13 13 ? A -3.522 -0.489 9.547 1.000 1 A 95.200 1
ATOM 197 H HG11 . VAL 13 13 ? A -1.210 -0.048 8.906 1.000 1 A 95.200 1
ATOM 198 H HG12 . VAL 13 13 ? A -1.689 1.121 10.135 1.000 1 A 95.200 1
ATOM 199 H HG13 . VAL 13 13 ? A -1.616 1.614 8.429 1.000 1 A 95.200 1
ATOM 200 H HG21 . VAL 13 13 ? A -3.916 2.472 8.930 1.000 1 A 95.200 1
ATOM 201 H HG22 . VAL 13 13 ? A -5.246 1.366 9.287 1.000 1 A 95.200 1
ATOM 202 H HG23 . VAL 13 13 ? A -4.015 1.684 10.520 1.000 1 A 95.200 1
ATOM 203 N N . MET 14 14 ? A -2.723 -2.169 7.059 1.000 1 A 94.380 1
ATOM 204 C CA . MET 14 14 ? A -1.816 -3.137 6.427 1.000 1 A 94.380 1
ATOM 205 C C . MET 14 14 ? A -1.950 -3.144 4.898 1.000 1 A 94.380 1
ATOM 206 O O . MET 14 14 ? A -0.943 -3.133 4.193 1.000 1 A 94.380 1
ATOM 207 C CB . MET 14 14 ? A -2.075 -4.542 6.988 1.000 1 A 94.380 1
ATOM 208 C CG . MET 14 14 ? A -1.576 -4.705 8.426 1.000 1 A 94.380 1
ATOM 209 S SD . MET 14 14 ? A 0.228 -4.636 8.589 1.000 1 A 94.380 1
ATOM 210 C CE . MET 14 14 ? A 0.408 -5.156 10.312 1.000 1 A 94.380 1
ATOM 211 H H . MET 14 14 ? A -3.429 -2.511 7.695 1.000 1 A 94.380 1
ATOM 212 H HA . MET 14 14 ? A -0.786 -2.855 6.646 1.000 1 A 94.380 1
ATOM 213 H HB2 . MET 14 14 ? A -3.142 -4.761 6.952 1.000 1 A 94.380 1
ATOM 214 H HB3 . MET 14 14 ? A -1.558 -5.275 6.367 1.000 1 A 94.380 1
ATOM 215 H HG2 . MET 14 14 ? A -2.014 -3.932 9.056 1.000 1 A 94.380 1
ATOM 216 H HG3 . MET 14 14 ? A -1.914 -5.675 8.790 1.000 1 A 94.380 1
ATOM 217 H HE1 . MET 14 14 ? A 1.467 -5.184 10.568 1.000 1 A 94.380 1
ATOM 218 H HE2 . MET 14 14 ? A -0.103 -4.444 10.962 1.000 1 A 94.380 1
ATOM 219 H HE3 . MET 14 14 ? A -0.022 -6.149 10.442 1.000 1 A 94.380 1
ATOM 220 N N . ILE 15 15 ? A -3.181 -3.102 4.379 1.000 1 A 95.760 1
ATOM 221 C CA . ILE 15 15 ? A -3.436 -3.033 2.931 1.000 1 A 95.760 1
ATOM 222 C C . ILE 15 15 ? A -2.891 -1.724 2.343 1.000 1 A 95.760 1
ATOM 223 O O . ILE 15 15 ? A -2.254 -1.741 1.292 1.000 1 A 95.760 1
ATOM 224 C CB . ILE 15 15 ? A -4.944 -3.215 2.642 1.000 1 A 95.760 1
ATOM 225 C CG1 . ILE 15 15 ? A -5.397 -4.643 3.031 1.000 1 A 95.760 1
ATOM 226 C CG2 . ILE 15 15 ? A -5.260 -2.956 1.155 1.000 1 A 95.760 1
ATOM 227 C CD1 . ILE 15 15 ? A -6.919 -4.803 3.134 1.000 1 A 95.760 1
ATOM 228 H H . ILE 15 15 ? A -3.970 -3.127 5.009 1.000 1 A 95.760 1
ATOM 229 H HA . ILE 15 15 ? A -2.896 -3.845 2.442 1.000 1 A 95.760 1
ATOM 230 H HB . ILE 15 15 ? A -5.499 -2.492 3.241 1.000 1 A 95.760 1
ATOM 231 H HG12 . ILE 15 15 ? A -4.981 -4.915 4.001 1.000 1 A 95.760 1
ATOM 232 H HG13 . ILE 15 15 ? A -5.011 -5.357 2.303 1.000 1 A 95.760 1
ATOM 233 H HG21 . ILE 15 15 ? A -4.673 -3.625 0.526 1.000 1 A 95.760 1
ATOM 234 H HG22 . ILE 15 15 ? A -5.030 -1.925 0.884 1.000 1 A 95.760 1
ATOM 235 H HG23 . ILE 15 15 ? A -6.320 -3.112 0.954 1.000 1 A 95.760 1
ATOM 236 H HD11 . ILE 15 15 ? A -7.150 -5.808 3.487 1.000 1 A 95.760 1
ATOM 237 H HD12 . ILE 15 15 ? A -7.324 -4.079 3.841 1.000 1 A 95.760 1
ATOM 238 H HD13 . ILE 15 15 ? A -7.388 -4.665 2.159 1.000 1 A 95.760 1
ATOM 239 N N . LEU 16 16 ? A -3.091 -0.595 3.030 1.000 1 A 96.210 1
ATOM 240 C CA . LEU 16 16 ? A -2.569 0.702 2.599 1.000 1 A 96.210 1
ATOM 241 C C . LEU 16 16 ? A -1.034 0.704 2.524 1.000 1 A 96.210 1
ATOM 242 O O . LEU 16 16 ? A -0.474 1.209 1.554 1.000 1 A 96.210 1
ATOM 243 C CB . LEU 16 16 ? A -3.092 1.786 3.558 1.000 1 A 96.210 1
ATOM 244 C CG . LEU 16 16 ? A -2.656 3.216 3.188 1.000 1 A 96.210 1
ATOM 245 C CD1 . LEU 16 16 ? A -3.255 3.671 1.856 1.000 1 A 96.210 1
ATOM 246 C CD2 . LEU 16 16 ? A -3.111 4.183 4.282 1.000 1 A 96.210 1
ATOM 247 H H . LEU 16 16 ? A -3.639 -0.635 3.877 1.000 1 A 96.210 1
ATOM 248 H HA . LEU 16 16 ? A -2.944 0.900 1.595 1.000 1 A 96.210 1
ATOM 249 H HB2 . LEU 16 16 ? A -2.729 1.565 4.562 1.000 1 A 96.210 1
ATOM 250 H HB3 . LEU 16 16 ? A -4.181 1.742 3.578 1.000 1 A 96.210 1
ATOM 251 H HG . LEU 16 16 ? A -1.569 3.270 3.128 1.000 1 A 96.210 1
ATOM 252 H HD11 . LEU 16 16 ? A -2.985 4.710 1.669 1.000 1 A 96.210 1
ATOM 253 H HD12 . LEU 16 16 ? A -2.850 3.068 1.042 1.000 1 A 96.210 1
ATOM 254 H HD13 . LEU 16 16 ? A -4.340 3.576 1.876 1.000 1 A 96.210 1
ATOM 255 H HD21 . LEU 16 16 ? A -2.666 3.894 5.234 1.000 1 A 96.210 1
ATOM 256 H HD22 . LEU 16 16 ? A -2.783 5.193 4.036 1.000 1 A 96.210 1
ATOM 257 H HD23 . LEU 16 16 ? A -4.198 4.166 4.369 1.000 1 A 96.210 1
ATOM 258 N N . ILE 17 17 ? A -0.357 0.115 3.514 1.000 1 A 95.570 1
ATOM 259 C CA . ILE 17 17 ? A 1.109 -0.002 3.530 1.000 1 A 95.570 1
ATOM 260 C C . ILE 17 17 ? A 1.600 -0.847 2.349 1.000 1 A 95.570 1
ATOM 261 O O . ILE 17 17 ? A 2.549 -0.447 1.680 1.000 1 A 95.570 1
ATOM 262 C CB . ILE 17 17 ? A 1.594 -0.564 4.886 1.000 1 A 95.570 1
ATOM 263 C CG1 . ILE 17 17 ? A 1.352 0.472 6.009 1.000 1 A 95.570 1
ATOM 264 C CG2 . ILE 17 17 ? A 3.091 -0.931 4.841 1.000 1 A 95.570 1
ATOM 265 C CD1 . ILE 17 17 ? A 1.450 -0.122 7.421 1.000 1 A 95.570 1
ATOM 266 H H . ILE 17 17 ? A -0.879 -0.267 4.289 1.000 1 A 95.570 1
ATOM 267 H HA . ILE 17 17 ? A 1.539 0.991 3.401 1.000 1 A 95.570 1
ATOM 268 H HB . ILE 17 17 ? A 1.027 -1.468 5.109 1.000 1 A 95.570 1
ATOM 269 H HG12 . ILE 17 17 ? A 0.360 0.912 5.906 1.000 1 A 95.570 1
ATOM 270 H HG13 . ILE 17 17 ? A 2.074 1.283 5.915 1.000 1 A 95.570 1
ATOM 271 H HG21 . ILE 17 17 ? A 3.432 -1.288 5.813 1.000 1 A 95.570 1
ATOM 272 H HG22 . ILE 17 17 ? A 3.268 -1.737 4.129 1.000 1 A 95.570 1
ATOM 273 H HG23 . ILE 17 17 ? A 3.684 -0.064 4.549 1.000 1 A 95.570 1
ATOM 274 H HD11 . ILE 17 17 ? A 1.176 0.641 8.149 1.000 1 A 95.570 1
ATOM 275 H HD12 . ILE 17 17 ? A 0.765 -0.965 7.517 1.000 1 A 95.570 1
ATOM 276 H HD13 . ILE 17 17 ? A 2.466 -0.452 7.633 1.000 1 A 95.570 1
ATOM 277 N N . LEU 18 18 ? A 0.941 -1.971 2.048 1.000 1 A 94.600 1
ATOM 278 C CA . LEU 18 18 ? A 1.294 -2.810 0.897 1.000 1 A 94.600 1
ATOM 279 C C . LEU 18 18 ? A 1.103 -2.078 -0.438 1.000 1 A 94.600 1
ATOM 280 O O . LEU 18 18 ? A 1.945 -2.190 -1.323 1.000 1 A 94.600 1
ATOM 281 C CB . LEU 18 18 ? A 0.458 -4.101 0.923 1.000 1 A 94.600 1
ATOM 282 C CG . LEU 18 18 ? A 0.860 -5.096 2.025 1.000 1 A 94.600 1
ATOM 283 C CD1 . LEU 18 18 ? A -0.164 -6.232 2.072 1.000 1 A 94.600 1
ATOM 284 C CD2 . LEU 18 18 ? A 2.241 -5.706 1.777 1.000 1 A 94.600 1
ATOM 285 H H . LEU 18 18 ? A 0.175 -2.257 2.641 1.000 1 A 94.600 1
ATOM 286 H HA . LEU 18 18 ? A 2.353 -3.061 0.954 1.000 1 A 94.600 1
ATOM 287 H HB2 . LEU 18 18 ? A 0.560 -4.600 -0.040 1.000 1 A 94.600 1
ATOM 288 H HB3 . LEU 18 18 ? A -0.591 -3.834 1.046 1.000 1 A 94.600 1
ATOM 289 H HG . LEU 18 18 ? A 0.869 -4.598 2.994 1.000 1 A 94.600 1
ATOM 290 H HD11 . LEU 18 18 ? A 0.107 -6.937 2.858 1.000 1 A 94.600 1
ATOM 291 H HD12 . LEU 18 18 ? A -0.191 -6.750 1.113 1.000 1 A 94.600 1
ATOM 292 H HD13 . LEU 18 18 ? A -1.150 -5.823 2.294 1.000 1 A 94.600 1
ATOM 293 H HD21 . LEU 18 18 ? A 3.011 -4.937 1.830 1.000 1 A 94.600 1
ATOM 294 H HD22 . LEU 18 18 ? A 2.276 -6.176 0.794 1.000 1 A 94.600 1
ATOM 295 H HD23 . LEU 18 18 ? A 2.459 -6.454 2.539 1.000 1 A 94.600 1
ATOM 296 N N . LEU 19 19 ? A 0.037 -1.286 -0.582 1.000 1 A 93.850 1
ATOM 297 C CA . LEU 19 19 ? A -0.165 -0.463 -1.777 1.000 1 A 93.850 1
ATOM 298 C C . LEU 19 19 ? A 0.929 0.600 -1.925 1.000 1 A 93.850 1
ATOM 299 O O . LEU 19 19 ? A 1.468 0.770 -3.016 1.000 1 A 93.850 1
ATOM 300 C CB . LEU 19 19 ? A -1.555 0.191 -1.731 1.000 1 A 93.850 1
ATOM 301 C CG . LEU 19 19 ? A -2.717 -0.780 -1.998 1.000 1 A 93.850 1
ATOM 302 C CD1 . LEU 19 19 ? A -4.041 -0.071 -1.706 1.000 1 A 93.850 1
ATOM 303 C CD2 . LEU 19 19 ? A -2.743 -1.258 -3.453 1.000 1 A 93.850 1
ATOM 304 H H . LEU 19 19 ? A -0.643 -1.251 0.164 1.000 1 A 93.850 1
ATOM 305 H HA . LEU 19 19 ? A -0.088 -1.098 -2.660 1.000 1 A 93.850 1
ATOM 306 H HB2 . LEU 19 19 ? A -1.691 0.653 -0.754 1.000 1 A 93.850 1
ATOM 307 H HB3 . LEU 19 19 ? A -1.594 0.985 -2.478 1.000 1 A 93.850 1
ATOM 308 H HG . LEU 19 19 ? A -2.638 -1.648 -1.344 1.000 1 A 93.850 1
ATOM 309 H HD11 . LEU 19 19 ? A -4.062 0.241 -0.662 1.000 1 A 93.850 1
ATOM 310 H HD12 . LEU 19 19 ? A -4.149 0.803 -2.349 1.000 1 A 93.850 1
ATOM 311 H HD13 . LEU 19 19 ? A -4.870 -0.756 -1.881 1.000 1 A 93.850 1
ATOM 312 H HD21 . LEU 19 19 ? A -3.619 -1.887 -3.617 1.000 1 A 93.850 1
ATOM 313 H HD22 . LEU 19 19 ? A -2.779 -0.406 -4.130 1.000 1 A 93.850 1
ATOM 314 H HD23 . LEU 19 19 ? A -1.856 -1.853 -3.669 1.000 1 A 93.850 1
ATOM 315 N N . LEU 20 20 ? A 1.289 1.287 -0.836 1.000 1 A 92.930 1
ATOM 316 C CA . LEU 20 20 ? A 2.388 2.255 -0.838 1.000 1 A 92.930 1
ATOM 317 C C . LEU 20 20 ? A 3.732 1.594 -1.155 1.000 1 A 92.930 1
ATOM 318 O O . LEU 20 20 ? A 4.532 2.190 -1.869 1.000 1 A 92.930 1
ATOM 319 C CB . LEU 20 20 ? A 2.459 2.974 0.520 1.000 1 A 92.930 1
ATOM 320 C CG . LEU 20 20 ? A 1.326 3.981 0.771 1.000 1 A 92.930 1
ATOM 321 C CD1 . LEU 20 20 ? A 1.419 4.490 2.211 1.000 1 A 92.930 1
ATOM 322 C CD2 . LEU 20 20 ? A 1.402 5.188 -0.168 1.000 1 A 92.930 1
ATOM 323 H H . LEU 20 20 ? A 0.803 1.102 0.031 1.000 1 A 92.930 1
ATOM 324 H HA . LEU 20 20 ? A 2.215 2.984 -1.630 1.000 1 A 92.930 1
ATOM 325 H HB2 . LEU 20 20 ? A 3.408 3.506 0.581 1.000 1 A 92.930 1
ATOM 326 H HB3 . LEU 20 20 ? A 2.453 2.223 1.310 1.000 1 A 92.930 1
ATOM 327 H HG . LEU 20 20 ? A 0.358 3.499 0.636 1.000 1 A 92.930 1
ATOM 328 H HD11 . LEU 20 20 ? A 2.376 4.984 2.373 1.000 1 A 92.930 1
ATOM 329 H HD12 . LEU 20 20 ? A 0.608 5.192 2.405 1.000 1 A 92.930 1
ATOM 330 H HD13 . LEU 20 20 ? A 1.323 3.649 2.898 1.000 1 A 92.930 1
ATOM 331 H HD21 . LEU 20 20 ? A 0.630 5.910 0.097 1.000 1 A 92.930 1
ATOM 332 H HD22 . LEU 20 20 ? A 2.381 5.662 -0.092 1.000 1 A 92.930 1
ATOM 333 H HD23 . LEU 20 20 ? A 1.232 4.874 -1.198 1.000 1 A 92.930 1
ATOM 334 N N . TRP 21 21 ? A 3.962 0.372 -0.669 1.000 1 A 93.120 1
ATOM 335 C CA . TRP 21 21 ? A 5.149 -0.417 -0.991 1.000 1 A 93.120 1
ATOM 336 C C . TRP 21 21 ? A 5.232 -0.710 -2.489 1.000 1 A 93.120 1
ATOM 337 O O . TRP 21 21 ? A 6.233 -0.372 -3.106 1.000 1 A 93.120 1
ATOM 338 C CB . TRP 21 21 ? A 5.155 -1.711 -0.170 1.000 1 A 93.120 1
ATOM 339 C CG . TRP 21 21 ? A 6.371 -2.563 -0.355 1.000 1 A 93.120 1
ATOM 340 C CD1 . TRP 21 21 ? A 6.710 -3.237 -1.479 1.000 1 A 93.120 1
ATOM 341 C CD2 . TRP 21 21 ? A 7.445 -2.829 0.599 1.000 1 A 93.120 1
ATOM 342 N NE1 . TRP 21 21 ? A 7.916 -3.876 -1.292 1.000 1 A 93.120 1
ATOM 343 C CE2 . TRP 21 21 ? A 8.416 -3.659 -0.035 1.000 1 A 93.120 1
ATOM 344 C CE3 . TRP 21 21 ? A 7.704 -2.443 1.934 1.000 1 A 93.120 1
ATOM 345 C CZ2 . TRP 21 21 ? A 9.587 -4.076 0.607 1.000 1 A 93.120 1
ATOM 346 C CZ3 . TRP 21 21 ? A 8.872 -2.870 2.597 1.000 1 A 93.120 1
ATOM 347 C CH2 . TRP 21 21 ? A 9.813 -3.682 1.935 1.000 1 A 93.120 1
ATOM 348 H H . TRP 21 21 ? A 3.278 -0.036 -0.047 1.000 1 A 93.120 1
ATOM 349 H HA . TRP 21 21 ? A 6.041 0.152 -0.729 1.000 1 A 93.120 1
ATOM 350 H HB2 . TRP 21 21 ? A 4.285 -2.315 -0.427 1.000 1 A 93.120 1
ATOM 351 H HB3 . TRP 21 21 ? A 5.075 -1.453 0.886 1.000 1 A 93.120 1
ATOM 352 H HD1 . TRP 21 21 ? A 6.164 -3.258 -2.410 1.000 1 A 93.120 1
ATOM 353 H HE1 . TRP 21 21 ? A 8.409 -4.338 -2.043 1.000 1 A 93.120 1
ATOM 354 H HE3 . TRP 21 21 ? A 6.994 -1.808 2.443 1.000 1 A 93.120 1
ATOM 355 H HZ2 . TRP 21 21 ? A 10.300 -4.686 0.071 1.000 1 A 93.120 1
ATOM 356 H HZ3 . TRP 21 21 ? A 9.056 -2.562 3.615 1.000 1 A 93.120 1
ATOM 357 H HH2 . TRP 21 21 ? A 10.714 -3.994 2.442 1.000 1 A 93.120 1
ATOM 358 N N . ILE 22 22 ? A 4.168 -1.254 -3.092 1.000 1 A 90.430 1
ATOM 359 C CA . ILE 22 22 ? A 4.129 -1.579 -4.531 1.000 1 A 90.430 1
ATOM 360 C C . ILE 22 22 ? A 4.330 -0.321 -5.384 1.000 1 A 90.430 1
ATOM 361 O O . ILE 22 22 ? A 5.050 -0.337 -6.381 1.000 1 A 90.430 1
ATOM 362 C CB . ILE 22 22 ? A 2.787 -2.267 -4.878 1.000 1 A 90.430 1
ATOM 363 C CG1 . ILE 22 22 ? A 2.693 -3.656 -4.208 1.000 1 A 90.430 1
ATOM 364 C CG2 . ILE 22 22 ? A 2.606 -2.414 -6.404 1.000 1 A 90.430 1
ATOM 365 C CD1 . ILE 22 22 ? A 1.269 -4.228 -4.182 1.000 1 A 90.430 1
ATOM 366 H H . ILE 22 22 ? A 3.380 -1.517 -2.518 1.000 1 A 90.430 1
ATOM 367 H HA . ILE 22 22 ? A 4.946 -2.262 -4.764 1.000 1 A 90.430 1
ATOM 368 H HB . ILE 22 22 ? A 1.978 -1.642 -4.500 1.000 1 A 90.430 1
ATOM 369 H HG12 . ILE 22 22 ? A 3.041 -3.598 -3.176 1.000 1 A 90.430 1
ATOM 370 H HG13 . ILE 22 22 ? A 3.350 -4.354 -4.727 1.000 1 A 90.430 1
ATOM 371 H HG21 . ILE 22 22 ? A 1.688 -2.953 -6.636 1.000 1 A 90.430 1
ATOM 372 H HG22 . ILE 22 22 ? A 2.540 -1.436 -6.881 1.000 1 A 90.430 1
ATOM 373 H HG23 . ILE 22 22 ? A 3.455 -2.954 -6.823 1.000 1 A 90.430 1
ATOM 374 H HD11 . ILE 22 22 ? A 0.592 -3.517 -3.710 1.000 1 A 90.430 1
ATOM 375 H HD12 . ILE 22 22 ? A 0.921 -4.454 -5.190 1.000 1 A 90.430 1
ATOM 376 H HD13 . ILE 22 22 ? A 1.267 -5.151 -3.602 1.000 1 A 90.430 1
ATOM 377 N N . ILE 23 23 ? A 3.699 0.791 -4.997 1.000 1 A 89.310 1
ATOM 378 C CA . ILE 23 23 ? A 3.878 2.076 -5.678 1.000 1 A 89.310 1
ATOM 379 C C . ILE 23 23 ? A 5.337 2.529 -5.562 1.000 1 A 89.310 1
ATOM 380 O O . ILE 23 23 ? A 5.928 2.917 -6.566 1.000 1 A 89.310 1
ATOM 381 C CB . ILE 23 23 ? A 2.875 3.113 -5.123 1.000 1 A 89.310 1
ATOM 382 C CG1 . ILE 23 23 ? A 1.439 2.753 -5.571 1.000 1 A 89.310 1
ATOM 383 C CG2 . ILE 23 23 ? A 3.214 4.532 -5.603 1.000 1 A 89.310 1
ATOM 384 C CD1 . ILE 23 23 ? A 0.347 3.545 -4.839 1.000 1 A 89.310 1
ATOM 385 H H . ILE 23 23 ? A 3.097 0.743 -4.187 1.000 1 A 89.310 1
ATOM 386 H HA . ILE 23 23 ? A 3.679 1.939 -6.741 1.000 1 A 89.310 1
ATOM 387 H HB . ILE 23 23 ? A 2.925 3.099 -4.034 1.000 1 A 89.310 1
ATOM 388 H HG12 . ILE 23 23 ? A 1.339 2.919 -6.643 1.000 1 A 89.310 1
ATOM 389 H HG13 . ILE 23 23 ? A 1.252 1.694 -5.391 1.000 1 A 89.310 1
ATOM 390 H HG21 . ILE 23 23 ? A 3.251 4.539 -6.692 1.000 1 A 89.310 1
ATOM 391 H HG22 . ILE 23 23 ? A 4.174 4.846 -5.193 1.000 1 A 89.310 1
ATOM 392 H HG23 . ILE 23 23 ? A 2.472 5.251 -5.256 1.000 1 A 89.310 1
ATOM 393 H HD11 . ILE 23 23 ? A -0.628 3.132 -5.098 1.000 1 A 89.310 1
ATOM 394 H HD12 . ILE 23 23 ? A 0.365 4.595 -5.132 1.000 1 A 89.310 1
ATOM 395 H HD13 . ILE 23 23 ? A 0.486 3.462 -3.761 1.000 1 A 89.310 1
ATOM 396 N N . ASN 24 24 ? A 5.930 2.455 -4.367 1.000 1 A 87.400 1
ATOM 397 C CA . ASN 24 24 ? A 7.321 2.831 -4.139 1.000 1 A 87.400 1
ATOM 398 C C . ASN 24 24 ? A 8.283 1.949 -4.940 1.000 1 A 87.400 1
ATOM 399 O O . ASN 24 24 ? A 9.171 2.488 -5.587 1.000 1 A 87.400 1
ATOM 400 C CB . ASN 24 24 ? A 7.608 2.799 -2.630 1.000 1 A 87.400 1
ATOM 401 C CG . ASN 24 24 ? A 8.956 3.397 -2.264 1.000 1 A 87.400 1
ATOM 402 O OD1 . ASN 24 24 ? A 9.950 3.291 -2.952 1.000 1 A 87.400 1
ATOM 403 N ND2 . ASN 24 24 ? A 9.038 4.076 -1.146 1.000 1 A 87.400 1
ATOM 404 H H . ASN 24 24 ? A 5.409 2.082 -3.587 1.000 1 A 87.400 1
ATOM 405 H HA . ASN 24 24 ? A 7.465 3.852 -4.493 1.000 1 A 87.400 1
ATOM 406 H HB2 . ASN 24 24 ? A 6.834 3.369 -2.118 1.000 1 A 87.400 1
ATOM 407 H HB3 . ASN 24 24 ? A 7.579 1.772 -2.264 1.000 1 A 87.400 1
ATOM 408 H HD21 . ASN 24 24 ? A 9.956 4.442 -0.936 1.000 1 A 87.400 1
ATOM 409 H HD22 . ASN 24 24 ? A 8.237 4.156 -0.536 1.000 1 A 87.400 1
ATOM 410 N N . GLU 25 25 ? A 8.076 0.634 -4.979 1.000 1 A 84.480 1
ATOM 411 C CA . GLU 25 25 ? A 8.866 -0.267 -5.819 1.000 1 A 84.480 1
ATOM 412 C C . GLU 25 25 ? A 8.746 0.095 -7.290 1.000 1 A 84.480 1
ATOM 413 O O . GLU 25 25 ? A 9.766 0.228 -7.940 1.000 1 A 84.480 1
ATOM 414 C CB . GLU 25 25 ? A 8.450 -1.724 -5.620 1.000 1 A 84.480 1
ATOM 415 C CG . GLU 25 25 ? A 9.053 -2.293 -4.335 1.000 1 A 84.480 1
ATOM 416 C CD . GLU 25 25 ? A 8.729 -3.780 -4.161 1.000 1 A 84.480 1
ATOM 417 O OE1 . GLU 25 25 ? A 9.546 -4.478 -3.516 1.000 1 A 84.480 1
ATOM 418 O OE2 . GLU 25 25 ? A 7.609 -4.202 -4.525 1.000 1 A 84.480 1
ATOM 419 H H . GLU 25 25 ? A 7.349 0.232 -4.406 1.000 1 A 84.480 1
ATOM 420 H HA . GLU 25 25 ? A 9.921 -0.171 -5.561 1.000 1 A 84.480 1
ATOM 421 H HB2 . GLU 25 25 ? A 8.819 -2.317 -6.457 1.000 1 A 84.480 1
ATOM 422 H HB3 . GLU 25 25 ? A 7.362 -1.793 -5.596 1.000 1 A 84.480 1
ATOM 423 H HG2 . GLU 25 25 ? A 10.134 -2.160 -4.366 1.000 1 A 84.480 1
ATOM 424 H HG3 . GLU 25 25 ? A 8.669 -1.738 -3.479 1.000 1 A 84.480 1
ATOM 425 N N . ASN 26 26 ? A 7.550 0.358 -7.817 1.000 1 A 82.010 1
ATOM 426 C CA . ASN 26 26 ? A 7.411 0.750 -9.220 1.000 1 A 82.010 1
ATOM 427 C C . ASN 26 26 ? A 8.061 2.108 -9.524 1.000 1 A 82.010 1
ATOM 428 O O . ASN 26 26 ? A 8.650 2.275 -10.588 1.000 1 A 82.010 1
ATOM 429 C CB . ASN 26 26 ? A 5.924 0.755 -9.597 1.000 1 A 82.010 1
ATOM 430 C CG . ASN 26 26 ? A 5.360 -0.637 -9.804 1.000 1 A 82.010 1
ATOM 431 O OD1 . ASN 26 26 ? A 6.043 -1.613 -10.042 1.000 1 A 82.010 1
ATOM 432 N ND2 . ASN 26 26 ? A 4.056 -0.773 -9.780 1.000 1 A 82.010 1
ATOM 433 H H . ASN 26 26 ? A 6.726 0.194 -7.257 1.000 1 A 82.010 1
ATOM 434 H HA . ASN 26 26 ? A 7.931 0.019 -9.839 1.000 1 A 82.010 1
ATOM 435 H HB2 . ASN 26 26 ? A 5.354 1.272 -8.825 1.000 1 A 82.010 1
ATOM 436 H HB3 . ASN 26 26 ? A 5.799 1.291 -10.538 1.000 1 A 82.010 1
ATOM 437 H HD21 . ASN 26 26 ? A 3.736 -1.727 -9.872 1.000 1 A 82.010 1
ATOM 438 H HD22 . ASN 26 26 ? A 3.471 0.005 -9.511 1.000 1 A 82.010 1
ATOM 439 N N . PHE 27 27 ? A 7.984 3.084 -8.613 1.000 1 A 79.450 1
ATOM 440 C CA . PHE 27 27 ? A 8.677 4.368 -8.774 1.000 1 A 79.450 1
ATOM 441 C C . PHE 27 27 ? A 10.193 4.236 -8.624 1.000 1 A 79.450 1
ATOM 442 O O . PHE 27 27 ? A 10.931 4.893 -9.351 1.000 1 A 79.450 1
ATOM 443 C CB . PHE 27 27 ? A 8.149 5.401 -7.768 1.000 1 A 79.450 1
ATOM 444 C CG . PHE 27 27 ? A 6.944 6.176 -8.258 1.000 1 A 79.450 1
ATOM 445 C CD1 . PHE 27 27 ? A 7.101 7.163 -9.248 1.000 1 A 79.450 1
ATOM 446 C CD2 . PHE 27 27 ? A 5.670 5.937 -7.719 1.000 1 A 79.450 1
ATOM 447 C CE1 . PHE 27 27 ? A 5.987 7.890 -9.703 1.000 1 A 79.450 1
ATOM 448 C CE2 . PHE 27 27 ? A 4.552 6.654 -8.180 1.000 1 A 79.450 1
ATOM 449 C CZ . PHE 27 27 ? A 4.711 7.631 -9.175 1.000 1 A 79.450 1
ATOM 450 H H . PHE 27 27 ? A 7.469 2.907 -7.762 1.000 1 A 79.450 1
ATOM 451 H HA . PHE 27 27 ? A 8.499 4.741 -9.782 1.000 1 A 79.450 1
ATOM 452 H HB2 . PHE 27 27 ? A 7.928 4.913 -6.819 1.000 1 A 79.450 1
ATOM 453 H HB3 . PHE 27 27 ? A 8.935 6.130 -7.571 1.000 1 A 79.450 1
ATOM 454 H HD1 . PHE 27 27 ? A 8.079 7.357 -9.661 1.000 1 A 79.450 1
ATOM 455 H HD2 . PHE 27 27 ? A 5.556 5.208 -6.931 1.000 1 A 79.450 1
ATOM 456 H HE1 . PHE 27 27 ? A 6.113 8.643 -10.467 1.000 1 A 79.450 1
ATOM 457 H HE2 . PHE 27 27 ? A 3.573 6.471 -7.764 1.000 1 A 79.450 1
ATOM 458 H HZ . PHE 27 27 ? A 3.856 8.185 -9.532 1.000 1 A 79.450 1
ATOM 459 N N . THR 28 28 ? A 10.659 3.406 -7.696 1.000 1 A 80.560 1
ATOM 460 C CA . THR 28 28 ? A 12.080 3.166 -7.430 1.000 1 A 80.560 1
ATOM 461 C C . THR 28 28 ? A 12.698 2.274 -8.493 1.000 1 A 80.560 1
ATOM 462 O O . THR 28 28 ? A 13.844 2.488 -8.851 1.000 1 A 80.560 1
ATOM 463 C CB . THR 28 28 ? A 12.284 2.550 -6.039 1.000 1 A 80.560 1
ATOM 464 O OG1 . THR 28 28 ? A 11.875 3.481 -5.065 1.000 1 A 80.560 1
ATOM 465 C CG2 . THR 28 28 ? A 13.751 2.248 -5.723 1.000 1 A 80.560 1
ATOM 466 H H . THR 28 28 ? A 9.992 2.917 -7.116 1.000 1 A 80.560 1
ATOM 467 H HA . THR 28 28 ? A 12.613 4.117 -7.453 1.000 1 A 80.560 1
ATOM 468 H HB . THR 28 28 ? A 11.700 1.635 -5.944 1.000 1 A 80.560 1
ATOM 469 H HG1 . THR 28 28 ? A 11.012 3.213 -4.741 1.000 1 A 80.560 1
ATOM 470 H HG21 . THR 28 28 ? A 13.837 1.929 -4.685 1.000 1 A 80.560 1
ATOM 471 H HG22 . THR 28 28 ? A 14.115 1.442 -6.360 1.000 1 A 80.560 1
ATOM 472 H HG23 . THR 28 28 ? A 14.355 3.141 -5.880 1.000 1 A 80.560 1
ATOM 473 N N . ASP 29 29 ? A 11.961 1.320 -9.045 1.000 1 A 75.910 1
ATOM 474 C CA . ASP 29 29 ? A 12.399 0.464 -10.142 1.000 1 A 75.910 1
ATOM 475 C C . ASP 29 29 ? A 12.350 1.233 -11.461 1.000 1 A 75.910 1
ATOM 476 O O . ASP 29 29 ? A 13.342 1.268 -12.173 1.000 1 A 75.910 1
ATOM 477 C CB . ASP 29 29 ? A 11.549 -0.811 -10.183 1.000 1 A 75.910 1
ATOM 478 C CG . ASP 29 29 ? A 12.123 -1.819 -11.173 1.000 1 A 75.910 1
ATOM 479 O OD1 . ASP 29 29 ? A 13.274 -2.259 -10.955 1.000 1 A 75.910 1
ATOM 480 O OD2 . ASP 29 29 ? A 11.448 -2.104 -12.186 1.000 1 A 75.910 1
ATOM 481 H H . ASP 29 29 ? A 11.048 1.127 -8.660 1.000 1 A 75.910 1
ATOM 482 H HA . ASP 29 29 ? A 13.433 0.166 -9.970 1.000 1 A 75.910 1
ATOM 483 H HB2 . ASP 29 29 ? A 10.524 -0.561 -10.456 1.000 1 A 75.910 1
ATOM 484 H HB3 . ASP 29 29 ? A 11.547 -1.273 -9.196 1.000 1 A 75.910 1
ATOM 485 N N . ALA 30 30 ? A 11.279 1.978 -11.762 1.000 1 A 74.750 1
ATOM 486 C CA . ALA 30 30 ? A 11.269 2.854 -12.937 1.000 1 A 74.750 1
ATOM 487 C C . ALA 30 30 ? A 12.322 3.968 -12.819 1.000 1 A 74.750 1
ATOM 488 O O . ALA 30 30 ? A 13.038 4.257 -13.774 1.000 1 A 74.750 1
ATOM 489 C CB . ALA 30 30 ? A 9.868 3.440 -13.139 1.000 1 A 74.750 1
ATOM 490 H H . ALA 30 30 ? A 10.452 1.920 -11.184 1.000 1 A 74.750 1
ATOM 491 H HA . ALA 30 30 ? A 11.522 2.257 -13.813 1.000 1 A 74.750 1
ATOM 492 H HB1 . ALA 30 30 ? A 9.145 2.631 -13.239 1.000 1 A 74.750 1
ATOM 493 H HB2 . ALA 30 30 ? A 9.596 4.066 -12.289 1.000 1 A 74.750 1
ATOM 494 H HB3 . ALA 30 30 ? A 9.854 4.042 -14.047 1.000 1 A 74.750 1
ATOM 495 N N . GLY 31 31 ? A 12.442 4.588 -11.644 1.000 1 A 65.870 1
ATOM 496 C CA . GLY 31 31 ? A 13.420 5.632 -11.366 1.000 1 A 65.870 1
ATOM 497 C C . GLY 31 31 ? A 14.844 5.095 -11.349 1.000 1 A 65.870 1
ATOM 498 O O . GLY 31 31 ? A 15.707 5.686 -11.976 1.000 1 A 65.870 1
ATOM 499 H H . GLY 31 31 ? A 11.815 4.325 -10.898 1.000 1 A 65.870 1
ATOM 500 H HA2 . GLY 31 31 ? A 13.347 6.414 -12.123 1.000 1 A 65.870 1
ATOM 501 H HA3 . GLY 31 31 ? A 13.205 6.064 -10.389 1.000 1 A 65.870 1
ATOM 502 N N . GLY 32 32 ? A 15.086 3.965 -10.691 1.000 1 A 64.680 1
ATOM 503 C CA . GLY 32 32 ? A 16.386 3.320 -10.513 1.000 1 A 64.680 1
ATOM 504 C C . GLY 32 32 ? A 16.873 2.576 -11.750 1.000 1 A 64.680 1
ATOM 505 O O . GLY 32 32 ? A 18.056 2.665 -12.061 1.000 1 A 64.680 1
ATOM 506 H H . GLY 32 32 ? A 14.310 3.520 -10.221 1.000 1 A 64.680 1
ATOM 507 H HA2 . GLY 32 32 ? A 17.130 4.070 -10.243 1.000 1 A 64.680 1
ATOM 508 H HA3 . GLY 32 32 ? A 16.312 2.599 -9.699 1.000 1 A 64.680 1
ATOM 509 N N . ASN 33 33 ? A 15.990 1.941 -12.523 1.000 1 A 61.190 1
ATOM 510 C CA . ASN 33 33 ? A 16.343 1.391 -13.833 1.000 1 A 61.190 1
ATOM 511 C C . ASN 33 33 ? A 16.590 2.507 -14.845 1.000 1 A 61.190 1
ATOM 512 O O . ASN 33 33 ? A 17.538 2.402 -15.615 1.000 1 A 61.190 1
ATOM 513 C CB . ASN 33 33 ? A 15.289 0.389 -14.337 1.000 1 A 61.190 1
ATOM 514 C CG . ASN 33 33 ? A 15.255 -0.877 -13.498 1.000 1 A 61.190 1
ATOM 515 O OD1 . ASN 33 33 ? A 16.247 -1.262 -12.895 1.000 1 A 61.190 1
ATOM 516 N ND2 . ASN 33 33 ? A 14.150 -1.576 -13.484 1.000 1 A 61.190 1
ATOM 517 H H . ASN 33 33 ? A 15.039 1.826 -12.202 1.000 1 A 61.190 1
ATOM 518 H HA . ASN 33 33 ? A 17.286 0.853 -13.736 1.000 1 A 61.190 1
ATOM 519 H HB2 . ASN 33 33 ? A 14.303 0.854 -14.371 1.000 1 A 61.190 1
ATOM 520 H HB3 . ASN 33 33 ? A 15.543 0.088 -15.353 1.000 1 A 61.190 1
ATOM 521 H HD21 . ASN 33 33 ? A 14.045 -2.174 -12.677 1.000 1 A 61.190 1
ATOM 522 H HD22 . ASN 33 33 ? A 13.284 -1.183 -13.823 1.000 1 A 61.190 1
ATOM 523 N N . ASN 34 34 ? A 15.840 3.614 -14.806 1.000 1 A 57.800 1
ATOM 524 C CA . ASN 34 34 ? A 16.154 4.769 -15.650 1.000 1 A 57.800 1
ATOM 525 C C . ASN 34 34 ? A 17.422 5.497 -15.185 1.000 1 A 57.800 1
ATOM 526 O O . ASN 34 34 ? A 18.174 5.973 -16.031 1.000 1 A 57.800 1
ATOM 527 C CB . ASN 34 34 ? A 14.957 5.726 -15.733 1.000 1 A 57.800 1
ATOM 528 C CG . ASN 34 34 ? A 13.793 5.166 -16.534 1.000 1 A 57.800 1
ATOM 529 O OD1 . ASN 34 34 ? A 13.835 4.102 -17.128 1.000 1 A 57.800 1
ATOM 530 N ND2 . ASN 34 34 ? A 12.713 5.904 -16.628 1.000 1 A 57.800 1
ATOM 531 H H . ASN 34 34 ? A 15.021 3.642 -14.216 1.000 1 A 57.800 1
ATOM 532 H HA . ASN 34 34 ? A 16.361 4.410 -16.658 1.000 1 A 57.800 1
ATOM 533 H HB2 . ASN 34 34 ? A 15.277 6.642 -16.230 1.000 1 A 57.800 1
ATOM 534 H HB3 . ASN 34 34 ? A 14.622 5.988 -14.729 1.000 1 A 57.800 1
ATOM 535 H HD21 . ASN 34 34 ? A 11.942 5.468 -17.114 1.000 1 A 57.800 1
ATOM 536 H HD22 . ASN 34 34 ? A 12.629 6.742 -16.072 1.000 1 A 57.800 1
ATOM 537 N N . PHE 35 35 ? A 17.702 5.569 -13.881 1.000 1 A 58.370 1
ATOM 538 C CA . PHE 35 35 ? A 18.933 6.167 -13.360 1.000 1 A 58.370 1
ATOM 539 C C . PHE 35 35 ? A 20.142 5.297 -13.704 1.000 1 A 58.370 1
ATOM 540 O O . PHE 35 35 ? A 21.118 5.807 -14.235 1.000 1 A 58.370 1
ATOM 541 C CB . PHE 35 35 ? A 18.836 6.418 -11.846 1.000 1 A 58.370 1
ATOM 542 C CG . PHE 35 35 ? A 19.567 7.656 -11.386 1.000 1 A 58.370 1
ATOM 543 C CD1 . PHE 35 35 ? A 20.898 7.580 -10.942 1.000 1 A 58.370 1
ATOM 544 C CD2 . PHE 35 35 ? A 18.898 8.895 -11.395 1.000 1 A 58.370 1
ATOM 545 C CE1 . PHE 35 35 ? A 21.557 8.742 -10.505 1.000 1 A 58.370 1
ATOM 546 C CE2 . PHE 35 35 ? A 19.557 10.057 -10.960 1.000 1 A 58.370 1
ATOM 547 C CZ . PHE 35 35 ? A 20.889 9.980 -10.515 1.000 1 A 58.370 1
ATOM 548 H H . PHE 35 35 ? A 17.014 5.240 -13.218 1.000 1 A 58.370 1
ATOM 549 H HA . PHE 35 35 ? A 19.077 7.129 -13.852 1.000 1 A 58.370 1
ATOM 550 H HB2 . PHE 35 35 ? A 19.189 5.546 -11.295 1.000 1 A 58.370 1
ATOM 551 H HB3 . PHE 35 35 ? A 17.797 6.579 -11.559 1.000 1 A 58.370 1
ATOM 552 H HD1 . PHE 35 35 ? A 21.415 6.632 -10.943 1.000 1 A 58.370 1
ATOM 553 H HD2 . PHE 35 35 ? A 17.876 8.953 -11.739 1.000 1 A 58.370 1
ATOM 554 H HE1 . PHE 35 35 ? A 22.583 8.684 -10.172 1.000 1 A 58.370 1
ATOM 555 H HE2 . PHE 35 35 ? A 19.044 11.008 -10.972 1.000 1 A 58.370 1
ATOM 556 H HZ . PHE 35 35 ? A 21.402 10.872 -10.187 1.000 1 A 58.370 1
ATOM 557 N N . ASN 36 36 ? A 20.056 3.980 -13.509 1.000 1 A 57.250 1
ATOM 558 C CA . ASN 36 36 ? A 21.114 3.051 -13.896 1.000 1 A 57.250 1
ATOM 559 C C . ASN 36 36 ? A 21.310 3.032 -15.414 1.000 1 A 57.250 1
ATOM 560 O O . ASN 36 36 ? A 22.442 3.093 -15.868 1.000 1 A 57.250 1
ATOM 561 C CB . ASN 36 36 ? A 20.814 1.646 -13.347 1.000 1 A 57.250 1
ATOM 562 C CG . ASN 36 36 ? A 21.065 1.514 -11.853 1.000 1 A 57.250 1
ATOM 563 O OD1 . ASN 36 36 ? A 21.667 2.351 -11.200 1.000 1 A 57.250 1
ATOM 564 N ND2 . ASN 36 36 ? A 20.647 0.419 -11.265 1.000 1 A 57.250 1
ATOM 565 H H . ASN 36 36 ? A 19.243 3.608 -13.040 1.000 1 A 57.250 1
ATOM 566 H HA . ASN 36 36 ? A 22.057 3.396 -13.472 1.000 1 A 57.250 1
ATOM 567 H HB2 . ASN 36 36 ? A 21.468 0.929 -13.842 1.000 1 A 57.250 1
ATOM 568 H HB3 . ASN 36 36 ? A 19.784 1.371 -13.571 1.000 1 A 57.250 1
ATOM 569 H HD21 . ASN 36 36 ? A 20.055 -0.228 -11.768 1.000 1 A 57.250 1
ATOM 570 H HD22 . ASN 36 36 ? A 20.769 0.381 -10.263 1.000 1 A 57.250 1
ATOM 571 N N . HIS 37 37 ? A 20.246 3.018 -16.217 1.000 1 A 50.970 1
ATOM 572 C CA . HIS 37 37 ? A 20.371 3.051 -17.677 1.000 1 A 50.970 1
ATOM 573 C C . HIS 37 37 ? A 20.909 4.395 -18.202 1.000 1 A 50.970 1
ATOM 574 O O . HIS 37 37 ? A 21.651 4.400 -19.175 1.000 1 A 50.970 1
ATOM 575 C CB . HIS 37 37 ? A 19.012 2.697 -18.285 1.000 1 A 50.970 1
ATOM 576 C CG . HIS 37 37 ? A 19.015 2.513 -19.777 1.000 1 A 50.970 1
ATOM 577 N ND1 . HIS 37 37 ? A 18.357 3.309 -20.682 1.000 1 A 50.970 1
ATOM 578 C CD2 . HIS 37 37 ? A 19.522 1.445 -20.468 1.000 1 A 50.970 1
ATOM 579 C CE1 . HIS 37 37 ? A 18.428 2.712 -21.883 1.000 1 A 50.970 1
ATOM 580 N NE2 . HIS 37 37 ? A 19.141 1.579 -21.808 1.000 1 A 50.970 1
ATOM 581 H H . HIS 37 37 ? A 19.323 2.927 -15.818 1.000 1 A 50.970 1
ATOM 582 H HA . HIS 37 37 ? A 21.087 2.286 -17.979 1.000 1 A 50.970 1
ATOM 583 H HB2 . HIS 37 37 ? A 18.668 1.759 -17.847 1.000 1 A 50.970 1
ATOM 584 H HB3 . HIS 37 37 ? A 18.293 3.474 -18.027 1.000 1 A 50.970 1
ATOM 585 H HD1 . HIS 37 37 ? A 17.883 4.176 -20.473 1.000 1 A 50.970 1
ATOM 586 H HD2 . HIS 37 37 ? A 20.057 0.610 -20.041 1.000 1 A 50.970 1
ATOM 587 H HE1 . HIS 37 37 ? A 17.987 3.094 -22.792 1.000 1 A 50.970 1
ATOM 588 N N . THR 38 38 ? A 20.585 5.523 -17.556 1.000 1 A 52.820 1
ATOM 589 C CA . THR 38 38 ? A 21.088 6.857 -17.950 1.000 1 A 52.820 1
ATOM 590 C C . THR 38 38 ? A 22.510 7.125 -17.452 1.000 1 A 52.820 1
ATOM 591 O O . THR 38 38 ? A 23.236 7.860 -18.102 1.000 1 A 52.820 1
ATOM 592 C CB . THR 38 38 ? A 20.158 7.982 -17.459 1.000 1 A 52.820 1
ATOM 593 O OG1 . THR 38 38 ? A 18.834 7.753 -17.886 1.000 1 A 52.820 1
ATOM 594 C CG2 . THR 38 38 ? A 20.528 9.374 -17.974 1.000 1 A 52.820 1
ATOM 595 H H . THR 38 38 ? A 19.953 5.463 -16.771 1.000 1 A 52.820 1
ATOM 596 H HA . THR 38 38 ? A 21.126 6.910 -19.038 1.000 1 A 52.820 1
ATOM 597 H HB . THR 38 38 ? A 20.169 8.001 -16.369 1.000 1 A 52.820 1
ATOM 598 H HG1 . THR 38 38 ? A 18.498 7.062 -17.310 1.000 1 A 52.820 1
ATOM 599 H HG21 . THR 38 38 ? A 21.475 9.695 -17.541 1.000 1 A 52.820 1
ATOM 600 H HG22 . THR 38 38 ? A 19.756 10.088 -17.687 1.000 1 A 52.820 1
ATOM 601 H HG23 . THR 38 38 ? A 20.619 9.354 -19.060 1.000 1 A 52.820 1
ATOM 602 N N . VAL 39 39 ? A 22.919 6.561 -16.310 1.000 1 A 56.620 1
ATOM 603 C CA . VAL 39 39 ? A 24.281 6.721 -15.760 1.000 1 A 56.620 1
ATOM 604 C C . VAL 39 39 ? A 25.267 5.707 -16.355 1.000 1 A 56.620 1
ATOM 605 O O . VAL 39 39 ? A 26.465 5.972 -16.384 1.000 1 A 56.620 1
ATOM 606 C CB . VAL 39 39 ? A 24.249 6.650 -14.216 1.000 1 A 56.620 1
ATOM 607 C CG1 . VAL 39 39 ? A 25.637 6.679 -13.560 1.000 1 A 56.620 1
ATOM 608 C CG2 . VAL 39 39 ? A 23.479 7.843 -13.628 1.000 1 A 56.620 1
ATOM 609 H H . VAL 39 39 ? A 22.253 6.026 -15.770 1.000 1 A 56.620 1
ATOM 610 H HA . VAL 39 39 ? A 24.661 7.703 -16.042 1.000 1 A 56.620 1
ATOM 611 H HB . VAL 39 39 ? A 23.757 5.725 -13.913 1.000 1 A 56.620 1
ATOM 612 H HG11 . VAL 39 39 ? A 25.540 6.732 -12.475 1.000 1 A 56.620 1
ATOM 613 H HG12 . VAL 39 39 ? A 26.183 5.767 -13.803 1.000 1 A 56.620 1
ATOM 614 H HG13 . VAL 39 39 ? A 26.201 7.538 -13.921 1.000 1 A 56.620 1
ATOM 615 H HG21 . VAL 39 39 ? A 24.003 8.771 -13.859 1.000 1 A 56.620 1
ATOM 616 H HG22 . VAL 39 39 ? A 23.395 7.730 -12.547 1.000 1 A 56.620 1
ATOM 617 H HG23 . VAL 39 39 ? A 22.475 7.903 -14.048 1.000 1 A 56.620 1
ATOM 618 N N . LEU 40 40 ? A 24.791 4.545 -16.818 1.000 1 A 59.090 1
ATOM 619 C CA . LEU 40 40 ? A 25.617 3.546 -17.512 1.000 1 A 59.090 1
ATOM 620 C C . LEU 40 40 ? A 25.787 3.824 -19.019 1.000 1 A 59.090 1
ATOM 621 O O . LEU 40 40 ? A 26.490 3.060 -19.683 1.000 1 A 59.090 1
ATOM 622 C CB . LEU 40 40 ? A 25.057 2.129 -17.268 1.000 1 A 59.090 1
ATOM 623 C CG . LEU 40 40 ? A 25.139 1.630 -15.812 1.000 1 A 59.090 1
ATOM 624 C CD1 . LEU 40 40 ? A 24.363 0.315 -15.676 1.000 1 A 59.090 1
ATOM 625 C CD2 . LEU 40 40 ? A 26.581 1.373 -15.368 1.000 1 A 59.090 1
ATOM 626 H H . LEU 40 40 ? A 23.804 4.353 -16.723 1.000 1 A 59.090 1
ATOM 627 H HA . LEU 40 40 ? A 26.627 3.591 -17.106 1.000 1 A 59.090 1
ATOM 628 H HB2 . LEU 40 40 ? A 24.021 2.111 -17.606 1.000 1 A 59.090 1
ATOM 629 H HB3 . LEU 40 40 ? A 25.605 1.424 -17.893 1.000 1 A 59.090 1
ATOM 630 H HG . LEU 40 40 ? A 24.707 2.361 -15.130 1.000 1 A 59.090 1
ATOM 631 H HD11 . LEU 40 40 ? A 24.798 -0.444 -16.327 1.000 1 A 59.090 1
ATOM 632 H HD12 . LEU 40 40 ? A 23.324 0.480 -15.961 1.000 1 A 59.090 1
ATOM 633 H HD13 . LEU 40 40 ? A 24.394 -0.024 -14.641 1.000 1 A 59.090 1
ATOM 634 H HD21 . LEU 40 40 ? A 26.587 0.969 -14.355 1.000 1 A 59.090 1
ATOM 635 H HD22 . LEU 40 40 ? A 27.135 2.312 -15.367 1.000 1 A 59.090 1
ATOM 636 H HD23 . LEU 40 40 ? A 27.063 0.671 -16.048 1.000 1 A 59.090 1
ATOM 637 N N . MET 41 41 ? A 25.167 4.881 -19.551 1.000 1 A 47.580 1
ATOM 638 C CA . MET 41 41 ? A 25.451 5.443 -20.881 1.000 1 A 47.580 1
ATOM 639 C C . MET 41 41 ? A 26.262 6.729 -20.765 1.000 1 A 47.580 1
ATOM 640 O O . MET 41 41 ? A 27.078 6.966 -21.684 1.000 1 A 47.580 1
ATOM 641 C CB . MET 41 41 ? A 24.151 5.701 -21.653 1.000 1 A 47.580 1
ATOM 642 C CG . MET 41 41 ? A 23.632 4.422 -22.304 1.000 1 A 47.580 1
ATOM 643 S SD . MET 41 41 ? A 22.315 4.723 -23.511 1.000 1 A 47.580 1
ATOM 644 C CE . MET 41 41 ? A 20.934 4.219 -22.489 1.000 1 A 47.580 1
ATOM 645 O OXT . MET 41 41 ? A 26.028 7.455 -19.779 1.000 1 A 47.580 1
ATOM 646 H H . MET 41 41 ? A 24.710 5.520 -18.916 1.000 1 A 47.580 1
ATOM 647 H HA . MET 41 41 ? A 26.082 4.762 -21.452 1.000 1 A 47.580 1
ATOM 648 H HB2 . MET 41 41 ? A 23.396 6.128 -20.993 1.000 1 A 47.580 1
ATOM 649 H HB3 . MET 41 41 ? A 24.359 6.417 -22.447 1.000 1 A 47.580 1
ATOM 650 H HG2 . MET 41 41 ? A 24.460 3.949 -22.832 1.000 1 A 47.580 1
ATOM 651 H HG3 . MET 41 41 ? A 23.288 3.736 -21.530 1.000 1 A 47.580 1
ATOM 652 H HE1 . MET 41 41 ? A 21.093 3.185 -22.184 1.000 1 A 47.580 1
ATOM 653 H HE2 . MET 41 41 ? A 20.877 4.854 -21.605 1.000 1 A 47.580 1
ATOM 654 H HE3 . MET 41 41 ? A 20.020 4.314 -23.076 1.000 1 A 47.580 1

loop_
_atom_type.symbol
C
H
N
O
S

loop_
_ma_qa_metric.id
_ma_qa_metric.name
_ma_qa_metric.description
_ma_qa_metric.type
_ma_qa_metric.mode
_ma_qa_metric.type_other_details
_ma_qa_metric.software_group_id
1 pLDDT 'Predicted accuracy according to the CA-only lDDT in [0,100]' pLDDT global . .
2 pLDDT 'Predicted accuracy according to the CA-only lDDT in [0,100]' pLDDT local . .

loop_
_ma_qa_metric_global.ordinal_id
_ma_qa_metric_global.model_id
_ma_qa_metric_global.metric_id
_ma_qa_metric_global.metric_value
1 1 1 80.023

loop_
_ma_qa_metric_local.ordinal_id
_ma_qa_metric_local.model_id
_ma_qa_metric_local.label_asym_id
_ma_qa_metric_local.label_seq_id
_ma_qa_metric_local.label_comp_id
_ma_qa_metric_local.metric_id
_ma_qa_metric_local.metric_value
1 1 A 1 MET 2 70.460
2 1 A 2 PHE 2 73.580
3 1 A 3 ASN 2 85.800
4 1 A 4 ILE 2 88.020
5 1 A 5 SER 2 91.240
6 1 A 6 SER 2 89.020
7 1 A 7 ILE 2 91.620
8 1 A 8 LEU 2 89.940
9 1 A 9 ILE 2 94.110
10 1 A 10 GLN 2 92.470
11 1 A 11 GLY 2 92.850
12 1 A 12 SER 2 93.690
13 1 A 13 VAL 2 95.200
14 1 A 14 MET 2 94.380
15 1 A 15 ILE 2 95.760
16 1 A 16 LEU 2 96.210
17 1 A 17 ILE 2 95.570
18 1 A 18 LEU 2 94.600
19 1 A 19 LEU 2 93.850
20 1 A 20 LEU 2 92.930
21 1 A 21 TRP 2 93.120
22 1 A 22 ILE 2 90.430
23 1 A 23 ILE 2 89.310
24 1 A 24 ASN 2 87.400
25 1 A 25 GLU 2 84.480
26 1 A 26 ASN 2 82.010
27 1 A 27 PHE 2 79.450
28 1 A 28 THR 2 80.560
29 1 A 29 ASP 2 75.910
30 1 A 30 ALA 2 74.750
31 1 A 31 GLY 2 65.870
32 1 A 32 GLY 2 64.680
33 1 A 33 ASN 2 61.190
34 1 A 34 ASN 2 57.800
35 1 A 35 PHE 2 58.370
36 1 A 36 ASN 2 57.250
37 1 A 37 HIS 2 50.970
38 1 A 38 THR 2 52.820
39 1 A 39 VAL 2 56.620
40 1 A 40 LEU 2 59.090
41 1 A 41 MET 2 47.580

_database_2.database_id ModelArchive
_database_2.database_code ma-asfv-asfvg-019
_database_2.pdbx_DOI 10.5452/ma-asfv-asfvg-019

_pdbx_database_status.entry_id ma-asfv-asfvg-019
_pdbx_database_status.date_coordinates 2022-07-29:17:48
_pdbx_database_status.status_code REL

loop_
_pdbx_contact_author.id
_pdbx_contact_author.name_salutation
_pdbx_contact_author.name_first
_pdbx_contact_author.name_last
_pdbx_contact_author.name_mi
_pdbx_contact_author.email
_pdbx_contact_author.address_1
_pdbx_contact_author.address_2
_pdbx_contact_author.address_3
7 Dr. Manuel Borca . manuel.borca@usda.gov
;Plum Island Animal Disease Center, 
Agricultural Research Service
11944 Greenport
New York
United States
;
. .
8 Dr. Douglas Gladue . douglas.gladue@usda.gov
;Plum Island Animal Disease Center, 
Agricultural Research Service
11944 Greenport
New York
United States
;
. .

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 2022-09-30
2 'Structure model' 1 1 2023-06-29
3 'Structure model' 1 2 2023-07-19
4 'Structure model' 1 3 2023-07-20

loop_
_pdbx_audit_revision_details.ordinal
_pdbx_audit_revision_details.revision_ordinal
_pdbx_audit_revision_details.data_content_type
_pdbx_audit_revision_details.provider
_pdbx_audit_revision_details.type
_pdbx_audit_revision_details.description
1 1 'Structure model' repository 'Initial release' ?
2 3 'Structure model' repository Remediation 'Reference database remediation'

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' 'Database references'
2 2 'Structure model' 'Source and taxonomy'
3 3 'Structure model' Other
4 3 'Structure model' 'Database references'
5 4 'Structure model' Other

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 2 'Structure model' ma_target_ref_db_details
2 3 'Structure model' ma_data
3 3 'Structure model' ma_data_group
4 3 'Structure model' ma_data_ref_db
5 4 'Structure model' exptl

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 2 'Structure model' '_ma_target_ref_db_details.db_accession'
2 2 'Structure model' '_ma_target_ref_db_details.db_code'
3 3 'Structure model' '_ma_data.id'
4 3 'Structure model' '_ma_data.name'
5 3 'Structure model' '_ma_data.content_type'
6 3 'Structure model' '_ma_data.content_type_other_details'
7 3 'Structure model' '_ma_data_group.ordinal_id'
8 3 'Structure model' '_ma_data_group.group_id'
9 3 'Structure model' '_ma_data_group.data_id'
10 3 'Structure model' '_ma_data_ref_db.data_id'
11 3 'Structure model' '_ma_data_ref_db.name'
12 3 'Structure model' '_ma_data_ref_db.location_url'
13 3 'Structure model' '_ma_data_ref_db.version'
14 3 'Structure model' '_ma_data_ref_db.release_date'
15 4 'Structure model' '_exptl.entry_id'
16 4 'Structure model' '_exptl.method'