data_ma-asfv-asfvg-021
_entry.id ma-asfv-asfvg-021
_entry.ma_collection_id ma-asfv-asfvg

_struct.entry_id ma-asfv-asfvg-021
_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 00350'

_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'
ARG 'L-peptide linking' ARGININE 'C6 H15 N4 O2 1' 175.212 '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'
TYR 'L-peptide linking' TYROSINE 'C9 H11 N O3' 181.191 '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 00350 protein' 5521.201 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 . A0A5K1HVJ2_ASF A0A5K1HVJ2 . 1 43 10497 'African swine fever virus (ASFV)' 2019-12-11 21FE6D76FC57F8D9
1 NCBI . CAD2068370.1 1886136895 . 1 43 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 MIHYFLQLLGGGGGSLIALALLWFADYYVEFIEARLDSNITAV MIHYFLQLLGGGGGSLIALALLWFADYYVEFIEARLDSNITAV

loop_
_entity_poly_seq.entity_id
_entity_poly_seq.num
_entity_poly_seq.mon_id
_entity_poly_seq.hetero
1 1 MET .
1 2 ILE .
1 3 HIS .
1 4 TYR .
1 5 PHE .
1 6 LEU .
1 7 GLN .
1 8 LEU .
1 9 LEU .
1 10 GLY .
1 11 GLY .
1 12 GLY .
1 13 GLY .
1 14 GLY .
1 15 SER .
1 16 LEU .
1 17 ILE .
1 18 ALA .
1 19 LEU .
1 20 ALA .
1 21 LEU .
1 22 LEU .
1 23 TRP .
1 24 PHE .
1 25 ALA .
1 26 ASP .
1 27 TYR .
1 28 TYR .
1 29 VAL .
1 30 GLU .
1 31 PHE .
1 32 ILE .
1 33 GLU .
1 34 ALA .
1 35 ARG .
1 36 LEU .
1 37 ASP .
1 38 SER .
1 39 ASN .
1 40 ILE .
1 41 THR .
1 42 ALA .
1 43 VAL .

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 ILE 2 2 ILE ILE A .
A 1 3 HIS 3 3 HIS HIS A .
A 1 4 TYR 4 4 TYR TYR A .
A 1 5 PHE 5 5 PHE PHE A .
A 1 6 LEU 6 6 LEU LEU A .
A 1 7 GLN 7 7 GLN GLN A .
A 1 8 LEU 8 8 LEU LEU A .
A 1 9 LEU 9 9 LEU LEU A .
A 1 10 GLY 10 10 GLY GLY A .
A 1 11 GLY 11 11 GLY GLY A .
A 1 12 GLY 12 12 GLY GLY A .
A 1 13 GLY 13 13 GLY GLY A .
A 1 14 GLY 14 14 GLY GLY A .
A 1 15 SER 15 15 SER SER A .
A 1 16 LEU 16 16 LEU LEU A .
A 1 17 ILE 17 17 ILE ILE A .
A 1 18 ALA 18 18 ALA ALA A .
A 1 19 LEU 19 19 LEU LEU A .
A 1 20 ALA 20 20 ALA ALA A .
A 1 21 LEU 21 21 LEU LEU A .
A 1 22 LEU 22 22 LEU LEU A .
A 1 23 TRP 23 23 TRP TRP A .
A 1 24 PHE 24 24 PHE PHE A .
A 1 25 ALA 25 25 ALA ALA A .
A 1 26 ASP 26 26 ASP ASP A .
A 1 27 TYR 27 27 TYR TYR A .
A 1 28 TYR 28 28 TYR TYR A .
A 1 29 VAL 29 29 VAL VAL A .
A 1 30 GLU 30 30 GLU GLU A .
A 1 31 PHE 31 31 PHE PHE A .
A 1 32 ILE 32 32 ILE ILE A .
A 1 33 GLU 33 33 GLU GLU A .
A 1 34 ALA 34 34 ALA ALA A .
A 1 35 ARG 35 35 ARG ARG A .
A 1 36 LEU 36 36 LEU LEU A .
A 1 37 ASP 37 37 ASP ASP A .
A 1 38 SER 38 38 SER SER A .
A 1 39 ASN 39 39 ASN ASN A .
A 1 40 ILE 40 40 ILE ILE A .
A 1 41 THR 41 41 THR THR A .
A 1 42 ALA 42 42 ALA ALA A .
A 1 43 VAL 43 43 VAL VAL A .

loop_
_ma_data.id
_ma_data.name
_ma_data.content_type
_ma_data.content_type_other_details
1 'ASFV-G ASFV G ACD 00350 protein' target .
2 'Model 2 (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 2 (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 24.620 3.879 -23.870 1.000 1 A 58.200 1
ATOM 2 C CA . MET 1 1 ? A 23.277 4.499 -23.967 1.000 1 A 58.200 1
ATOM 3 C C . MET 1 1 ? A 22.149 3.530 -23.595 1.000 1 A 58.200 1
ATOM 4 O O . MET 1 1 ? A 21.330 3.915 -22.777 1.000 1 A 58.200 1
ATOM 5 C CB . MET 1 1 ? A 23.066 5.221 -25.306 1.000 1 A 58.200 1
ATOM 6 C CG . MET 1 1 ? A 24.006 6.436 -25.378 1.000 1 A 58.200 1
ATOM 7 S SD . MET 1 1 ? A 23.609 7.643 -26.665 1.000 1 A 58.200 1
ATOM 8 C CE . MET 1 1 ? A 24.639 7.082 -28.047 1.000 1 A 58.200 1
ATOM 9 H H . MET 1 1 ? A 24.756 3.478 -22.953 1.000 1 A 58.200 1
ATOM 10 H H2 . MET 1 1 ? A 25.328 4.586 -24.012 1.000 1 A 58.200 1
ATOM 11 H HA . MET 1 1 ? A 23.219 5.275 -23.204 1.000 1 A 58.200 1
ATOM 12 H HB2 . MET 1 1 ? A 23.250 4.548 -26.143 1.000 1 A 58.200 1
ATOM 13 H HB3 . MET 1 1 ? A 22.036 5.576 -25.354 1.000 1 A 58.200 1
ATOM 14 H HG2 . MET 1 1 ? A 23.940 6.967 -24.428 1.000 1 A 58.200 1
ATOM 15 H HG3 . MET 1 1 ? A 25.037 6.106 -25.508 1.000 1 A 58.200 1
ATOM 16 H HE1 . MET 1 1 ? A 25.689 7.086 -27.755 1.000 1 A 58.200 1
ATOM 17 H HE2 . MET 1 1 ? A 24.342 6.077 -28.347 1.000 1 A 58.200 1
ATOM 18 H HE3 . MET 1 1 ? A 24.504 7.758 -28.891 1.000 1 A 58.200 1
ATOM 19 H H3 . MET 1 1 ? A 24.738 3.166 -24.575 1.000 1 A 58.200 1
ATOM 20 N N . ILE 2 2 ? A 22.148 2.268 -24.060 1.000 1 A 68.980 1
ATOM 21 C CA . ILE 2 2 ? A 21.126 1.256 -23.686 1.000 1 A 68.980 1
ATOM 22 C C . ILE 2 2 ? A 21.020 0.987 -22.164 1.000 1 A 68.980 1
ATOM 23 O O . ILE 2 2 ? A 19.920 0.825 -21.648 1.000 1 A 68.980 1
ATOM 24 C CB . ILE 2 2 ? A 21.352 -0.051 -24.511 1.000 1 A 68.980 1
ATOM 25 C CG1 . ILE 2 2 ? A 20.254 -0.259 -25.585 1.000 1 A 68.980 1
ATOM 26 C CG2 . ILE 2 2 ? A 21.466 -1.338 -23.673 1.000 1 A 68.980 1
ATOM 27 C CD1 . ILE 2 2 ? A 20.647 0.323 -26.946 1.000 1 A 68.980 1
ATOM 28 H H . ILE 2 2 ? A 22.757 2.009 -24.823 1.000 1 A 68.980 1
ATOM 29 H HA . ILE 2 2 ? A 20.156 1.668 -23.963 1.000 1 A 68.980 1
ATOM 30 H HB . ILE 2 2 ? A 22.308 0.029 -25.029 1.000 1 A 68.980 1
ATOM 31 H HG12 . ILE 2 2 ? A 19.311 0.178 -25.258 1.000 1 A 68.980 1
ATOM 32 H HG13 . ILE 2 2 ? A 20.075 -1.323 -25.738 1.000 1 A 68.980 1
ATOM 33 H HG21 . ILE 2 2 ? A 21.655 -2.189 -24.327 1.000 1 A 68.980 1
ATOM 34 H HG22 . ILE 2 2 ? A 20.536 -1.526 -23.136 1.000 1 A 68.980 1
ATOM 35 H HG23 . ILE 2 2 ? A 22.294 -1.280 -22.967 1.000 1 A 68.980 1
ATOM 36 H HD11 . ILE 2 2 ? A 21.532 -0.187 -27.325 1.000 1 A 68.980 1
ATOM 37 H HD12 . ILE 2 2 ? A 19.828 0.176 -27.651 1.000 1 A 68.980 1
ATOM 38 H HD13 . ILE 2 2 ? A 20.850 1.390 -26.854 1.000 1 A 68.980 1
ATOM 39 N N . HIS 3 3 ? A 22.142 0.990 -21.429 1.000 1 A 60.500 1
ATOM 40 C CA . HIS 3 3 ? A 22.159 0.683 -19.988 1.000 1 A 60.500 1
ATOM 41 C C . HIS 3 3 ? A 21.375 1.693 -19.128 1.000 1 A 60.500 1
ATOM 42 O O . HIS 3 3 ? A 20.682 1.294 -18.197 1.000 1 A 60.500 1
ATOM 43 C CB . HIS 3 3 ? A 23.616 0.557 -19.499 1.000 1 A 60.500 1
ATOM 44 C CG . HIS 3 3 ? A 24.058 -0.874 -19.326 1.000 1 A 60.500 1
ATOM 45 N ND1 . HIS 3 3 ? A 24.940 -1.581 -20.117 1.000 1 A 60.500 1
ATOM 46 C CD2 . HIS 3 3 ? A 23.665 -1.712 -18.317 1.000 1 A 60.500 1
ATOM 47 C CE1 . HIS 3 3 ? A 25.067 -2.815 -19.597 1.000 1 A 60.500 1
ATOM 48 N NE2 . HIS 3 3 ? A 24.305 -2.937 -18.504 1.000 1 A 60.500 1
ATOM 49 H H . HIS 3 3 ? A 23.030 1.027 -21.911 1.000 1 A 60.500 1
ATOM 50 H HA . HIS 3 3 ? A 21.664 -0.277 -19.838 1.000 1 A 60.500 1
ATOM 51 H HB2 . HIS 3 3 ? A 23.708 1.036 -18.523 1.000 1 A 60.500 1
ATOM 52 H HB3 . HIS 3 3 ? A 24.297 1.075 -20.174 1.000 1 A 60.500 1
ATOM 53 H HD1 . HIS 3 3 ? A 25.469 -1.236 -20.906 1.000 1 A 60.500 1
ATOM 54 H HD2 . HIS 3 3 ? A 22.980 -1.471 -17.517 1.000 1 A 60.500 1
ATOM 55 H HE1 . HIS 3 3 ? A 25.704 -3.597 -19.983 1.000 1 A 60.500 1
ATOM 56 N N . TYR 4 4 ? A 21.429 2.986 -19.462 1.000 1 A 66.230 1
ATOM 57 C CA . TYR 4 4 ? A 20.678 4.025 -18.745 1.000 1 A 66.230 1
ATOM 58 C C . TYR 4 4 ? A 19.173 3.943 -19.023 1.000 1 A 66.230 1
ATOM 59 O O . TYR 4 4 ? A 18.360 4.205 -18.143 1.000 1 A 66.230 1
ATOM 60 C CB . TYR 4 4 ? A 21.221 5.406 -19.134 1.000 1 A 66.230 1
ATOM 61 C CG . TYR 4 4 ? A 22.682 5.607 -18.783 1.000 1 A 66.230 1
ATOM 62 C CD1 . TYR 4 4 ? A 23.053 5.773 -17.435 1.000 1 A 66.230 1
ATOM 63 C CD2 . TYR 4 4 ? A 23.665 5.628 -19.792 1.000 1 A 66.230 1
ATOM 64 C CE1 . TYR 4 4 ? A 24.404 5.962 -17.090 1.000 1 A 66.230 1
ATOM 65 C CE2 . TYR 4 4 ? A 25.020 5.809 -19.450 1.000 1 A 66.230 1
ATOM 66 C CZ . TYR 4 4 ? A 25.390 5.977 -18.098 1.000 1 A 66.230 1
ATOM 67 O OH . TYR 4 4 ? A 26.698 6.156 -17.784 1.000 1 A 66.230 1
ATOM 68 H H . TYR 4 4 ? A 21.999 3.270 -20.247 1.000 1 A 66.230 1
ATOM 69 H HA . TYR 4 4 ? A 20.816 3.890 -17.672 1.000 1 A 66.230 1
ATOM 70 H HB2 . TYR 4 4 ? A 20.639 6.165 -18.612 1.000 1 A 66.230 1
ATOM 71 H HB3 . TYR 4 4 ? A 21.075 5.562 -20.203 1.000 1 A 66.230 1
ATOM 72 H HD1 . TYR 4 4 ? A 22.301 5.761 -16.660 1.000 1 A 66.230 1
ATOM 73 H HD2 . TYR 4 4 ? A 23.366 5.546 -20.827 1.000 1 A 66.230 1
ATOM 74 H HE1 . TYR 4 4 ? A 24.681 6.093 -16.054 1.000 1 A 66.230 1
ATOM 75 H HE2 . TYR 4 4 ? A 25.792 5.859 -20.203 1.000 1 A 66.230 1
ATOM 76 H HH . TYR 4 4 ? A 26.827 6.295 -16.843 1.000 1 A 66.230 1
ATOM 77 N N . PHE 5 5 ? A 18.799 3.525 -20.234 1.000 1 A 65.430 1
ATOM 78 C CA . PHE 5 5 ? A 17.402 3.363 -20.630 1.000 1 A 65.430 1
ATOM 79 C C . PHE 5 5 ? A 16.725 2.197 -19.892 1.000 1 A 65.430 1
ATOM 80 O O . PHE 5 5 ? A 15.589 2.322 -19.440 1.000 1 A 65.430 1
ATOM 81 C CB . PHE 5 5 ? A 17.359 3.190 -22.151 1.000 1 A 65.430 1
ATOM 82 C CG . PHE 5 5 ? A 15.958 3.195 -22.716 1.000 1 A 65.430 1
ATOM 83 C CD1 . PHE 5 5 ? A 15.328 1.987 -23.066 1.000 1 A 65.430 1
ATOM 84 C CD2 . PHE 5 5 ? A 15.275 4.415 -22.875 1.000 1 A 65.430 1
ATOM 85 C CE1 . PHE 5 5 ? A 14.022 2.001 -23.585 1.000 1 A 65.430 1
ATOM 86 C CE2 . PHE 5 5 ? A 13.966 4.428 -23.387 1.000 1 A 65.430 1
ATOM 87 C CZ . PHE 5 5 ? A 13.339 3.220 -23.742 1.000 1 A 65.430 1
ATOM 88 H H . PHE 5 5 ? A 19.513 3.298 -20.912 1.000 1 A 65.430 1
ATOM 89 H HA . PHE 5 5 ? A 16.854 4.269 -20.371 1.000 1 A 65.430 1
ATOM 90 H HB2 . PHE 5 5 ? A 17.852 2.257 -22.426 1.000 1 A 65.430 1
ATOM 91 H HB3 . PHE 5 5 ? A 17.915 4.005 -22.616 1.000 1 A 65.430 1
ATOM 92 H HD1 . PHE 5 5 ? A 15.841 1.046 -22.932 1.000 1 A 65.430 1
ATOM 93 H HD2 . PHE 5 5 ? A 15.749 5.345 -22.597 1.000 1 A 65.430 1
ATOM 94 H HE1 . PHE 5 5 ? A 13.535 1.074 -23.850 1.000 1 A 65.430 1
ATOM 95 H HE2 . PHE 5 5 ? A 13.438 5.363 -23.501 1.000 1 A 65.430 1
ATOM 96 H HZ . PHE 5 5 ? A 12.331 3.229 -24.128 1.000 1 A 65.430 1
ATOM 97 N N . LEU 6 6 ? A 17.447 1.088 -19.689 1.000 1 A 64.950 1
ATOM 98 C CA . LEU 6 6 ? A 16.944 -0.059 -18.927 1.000 1 A 64.950 1
ATOM 99 C C . LEU 6 6 ? A 16.814 0.254 -17.424 1.000 1 A 64.950 1
ATOM 100 O O . LEU 6 6 ? A 15.864 -0.197 -16.789 1.000 1 A 64.950 1
ATOM 101 C CB . LEU 6 6 ? A 17.855 -1.276 -19.181 1.000 1 A 64.950 1
ATOM 102 C CG . LEU 6 6 ? A 17.073 -2.603 -19.191 1.000 1 A 64.950 1
ATOM 103 C CD1 . LEU 6 6 ? A 16.374 -2.813 -20.539 1.000 1 A 64.950 1
ATOM 104 C CD2 . LEU 6 6 ? A 18.020 -3.778 -18.960 1.000 1 A 64.950 1
ATOM 105 H H . LEU 6 6 ? A 18.364 1.026 -20.107 1.000 1 A 64.950 1
ATOM 106 H HA . LEU 6 6 ? A 15.941 -0.282 -19.290 1.000 1 A 64.950 1
ATOM 107 H HB2 . LEU 6 6 ? A 18.366 -1.172 -20.138 1.000 1 A 64.950 1
ATOM 108 H HB3 . LEU 6 6 ? A 18.619 -1.305 -18.404 1.000 1 A 64.950 1
ATOM 109 H HG . LEU 6 6 ? A 16.330 -2.599 -18.393 1.000 1 A 64.950 1
ATOM 110 H HD11 . LEU 6 6 ? A 15.818 -3.750 -20.516 1.000 1 A 64.950 1
ATOM 111 H HD12 . LEU 6 6 ? A 15.670 -2.003 -20.728 1.000 1 A 64.950 1
ATOM 112 H HD13 . LEU 6 6 ? A 17.107 -2.852 -21.345 1.000 1 A 64.950 1
ATOM 113 H HD21 . LEU 6 6 ? A 18.782 -3.811 -19.739 1.000 1 A 64.950 1
ATOM 114 H HD22 . LEU 6 6 ? A 18.502 -3.678 -17.987 1.000 1 A 64.950 1
ATOM 115 H HD23 . LEU 6 6 ? A 17.456 -4.711 -18.968 1.000 1 A 64.950 1
ATOM 116 N N . GLN 7 7 ? A 17.715 1.073 -16.865 1.000 1 A 64.900 1
ATOM 117 C CA . GLN 7 7 ? A 17.582 1.588 -15.495 1.000 1 A 64.900 1
ATOM 118 C C . GLN 7 7 ? A 16.390 2.539 -15.329 1.000 1 A 64.900 1
ATOM 119 O O . GLN 7 7 ? A 15.733 2.492 -14.295 1.000 1 A 64.900 1
ATOM 120 C CB . GLN 7 7 ? A 18.875 2.292 -15.048 1.000 1 A 64.900 1
ATOM 121 C CG . GLN 7 7 ? A 19.798 1.334 -14.286 1.000 1 A 64.900 1
ATOM 122 C CD . GLN 7 7 ? A 21.079 2.004 -13.796 1.000 1 A 64.900 1
ATOM 123 O OE1 . GLN 7 7 ? A 21.253 3.210 -13.809 1.000 1 A 64.900 1
ATOM 124 N NE2 . GLN 7 7 ? A 22.049 1.237 -13.353 1.000 1 A 64.900 1
ATOM 125 H H . GLN 7 7 ? A 18.498 1.385 -17.422 1.000 1 A 64.900 1
ATOM 126 H HA . GLN 7 7 ? A 17.391 0.749 -14.826 1.000 1 A 64.900 1
ATOM 127 H HB2 . GLN 7 7 ? A 18.621 3.111 -14.376 1.000 1 A 64.900 1
ATOM 128 H HB3 . GLN 7 7 ? A 19.396 2.710 -15.909 1.000 1 A 64.900 1
ATOM 129 H HG2 . GLN 7 7 ? A 20.065 0.505 -14.941 1.000 1 A 64.900 1
ATOM 130 H HG3 . GLN 7 7 ? A 19.269 0.934 -13.420 1.000 1 A 64.900 1
ATOM 131 H HE21 . GLN 7 7 ? A 22.856 1.724 -12.988 1.000 1 A 64.900 1
ATOM 132 H HE22 . GLN 7 7 ? A 21.928 0.238 -13.277 1.000 1 A 64.900 1
ATOM 133 N N . LEU 8 8 ? A 16.067 3.353 -16.337 1.000 1 A 64.500 1
ATOM 134 C CA . LEU 8 8 ? A 14.881 4.219 -16.320 1.000 1 A 64.500 1
ATOM 135 C C . LEU 8 8 ? A 13.571 3.414 -16.305 1.000 1 A 64.500 1
ATOM 136 O O . LEU 8 8 ? A 12.669 3.734 -15.535 1.000 1 A 64.500 1
ATOM 137 C CB . LEU 8 8 ? A 14.959 5.186 -17.519 1.000 1 A 64.500 1
ATOM 138 C CG . LEU 8 8 ? A 15.516 6.564 -17.117 1.000 1 A 64.500 1
ATOM 139 C CD1 . LEU 8 8 ? A 16.216 7.237 -18.296 1.000 1 A 64.500 1
ATOM 140 C CD2 . LEU 8 8 ? A 14.384 7.478 -16.640 1.000 1 A 64.500 1
ATOM 141 H H . LEU 8 8 ? A 16.682 3.399 -17.137 1.000 1 A 64.500 1
ATOM 142 H HA . LEU 8 8 ? A 14.886 4.797 -15.396 1.000 1 A 64.500 1
ATOM 143 H HB2 . LEU 8 8 ? A 13.969 5.317 -17.955 1.000 1 A 64.500 1
ATOM 144 H HB3 . LEU 8 8 ? A 15.589 4.749 -18.294 1.000 1 A 64.500 1
ATOM 145 H HG . LEU 8 8 ? A 16.247 6.448 -16.317 1.000 1 A 64.500 1
ATOM 146 H HD11 . LEU 8 8 ? A 16.591 8.213 -17.989 1.000 1 A 64.500 1
ATOM 147 H HD12 . LEU 8 8 ? A 17.058 6.623 -18.616 1.000 1 A 64.500 1
ATOM 148 H HD13 . LEU 8 8 ? A 15.517 7.359 -19.123 1.000 1 A 64.500 1
ATOM 149 H HD21 . LEU 8 8 ? A 14.793 8.438 -16.327 1.000 1 A 64.500 1
ATOM 150 H HD22 . LEU 8 8 ? A 13.876 7.022 -15.790 1.000 1 A 64.500 1
ATOM 151 H HD23 . LEU 8 8 ? A 13.663 7.639 -17.441 1.000 1 A 64.500 1
ATOM 152 N N . LEU 9 9 ? A 13.485 2.338 -17.092 1.000 1 A 63.590 1
ATOM 153 C CA . LEU 9 9 ? A 12.312 1.452 -17.128 1.000 1 A 63.590 1
ATOM 154 C C . LEU 9 9 ? A 12.207 0.537 -15.895 1.000 1 A 63.590 1
ATOM 155 O O . LEU 9 9 ? A 11.122 0.383 -15.339 1.000 1 A 63.590 1
ATOM 156 C CB . LEU 9 9 ? A 12.342 0.652 -18.446 1.000 1 A 63.590 1
ATOM 157 C CG . LEU 9 9 ? A 11.529 1.346 -19.556 1.000 1 A 63.590 1
ATOM 158 C CD1 . LEU 9 9 ? A 12.069 0.975 -20.935 1.000 1 A 63.590 1
ATOM 159 C CD2 . LEU 9 9 ? A 10.057 0.932 -19.487 1.000 1 A 63.590 1
ATOM 160 H H . LEU 9 9 ? A 14.248 2.157 -17.729 1.000 1 A 63.590 1
ATOM 161 H HA . LEU 9 9 ? A 11.412 2.067 -17.112 1.000 1 A 63.590 1
ATOM 162 H HB2 . LEU 9 9 ? A 11.934 -0.345 -18.282 1.000 1 A 63.590 1
ATOM 163 H HB3 . LEU 9 9 ? A 13.377 0.526 -18.764 1.000 1 A 63.590 1
ATOM 164 H HG . LEU 9 9 ? A 11.606 2.427 -19.448 1.000 1 A 63.590 1
ATOM 165 H HD11 . LEU 9 9 ? A 12.011 -0.103 -21.084 1.000 1 A 63.590 1
ATOM 166 H HD12 . LEU 9 9 ? A 13.107 1.300 -21.010 1.000 1 A 63.590 1
ATOM 167 H HD13 . LEU 9 9 ? A 11.487 1.483 -21.704 1.000 1 A 63.590 1
ATOM 168 H HD21 . LEU 9 9 ? A 9.489 1.464 -20.250 1.000 1 A 63.590 1
ATOM 169 H HD22 . LEU 9 9 ? A 9.648 1.187 -18.509 1.000 1 A 63.590 1
ATOM 170 H HD23 . LEU 9 9 ? A 9.955 -0.142 -19.646 1.000 1 A 63.590 1
ATOM 171 N N . GLY 10 10 ? A 13.319 -0.045 -15.438 1.000 1 A 63.870 1
ATOM 172 C CA . GLY 10 10 ? A 13.337 -0.942 -14.274 1.000 1 A 63.870 1
ATOM 173 C C . GLY 10 10 ? A 13.261 -0.215 -12.927 1.000 1 A 63.870 1
ATOM 174 O O . GLY 10 10 ? A 12.589 -0.678 -12.010 1.000 1 A 63.870 1
ATOM 175 H H . GLY 10 10 ? A 14.178 0.086 -15.952 1.000 1 A 63.870 1
ATOM 176 H HA2 . GLY 10 10 ? A 12.498 -1.635 -14.335 1.000 1 A 63.870 1
ATOM 177 H HA3 . GLY 10 10 ? A 14.262 -1.518 -14.293 1.000 1 A 63.870 1
ATOM 178 N N . GLY 11 11 ? A 13.910 0.946 -12.808 1.000 1 A 63.310 1
ATOM 179 C CA . GLY 11 11 ? A 13.908 1.769 -11.595 1.000 1 A 63.310 1
ATOM 180 C C . GLY 11 11 ? A 12.642 2.615 -11.432 1.000 1 A 63.310 1
ATOM 181 O O . GLY 11 11 ? A 12.176 2.800 -10.310 1.000 1 A 63.310 1
ATOM 182 H H . GLY 11 11 ? A 14.445 1.288 -13.593 1.000 1 A 63.310 1
ATOM 183 H HA2 . GLY 11 11 ? A 14.011 1.131 -10.717 1.000 1 A 63.310 1
ATOM 184 H HA3 . GLY 11 11 ? A 14.760 2.446 -11.632 1.000 1 A 63.310 1
ATOM 185 N N . GLY 12 12 ? A 12.045 3.079 -12.536 1.000 1 A 63.790 1
ATOM 186 C CA . GLY 12 12 ? A 10.798 3.853 -12.512 1.000 1 A 63.790 1
ATOM 187 C C . GLY 12 12 ? A 9.549 3.015 -12.218 1.000 1 A 63.790 1
ATOM 188 O O . GLY 12 12 ? A 8.609 3.502 -11.600 1.000 1 A 63.790 1
ATOM 189 H H . GLY 12 12 ? A 12.484 2.929 -13.433 1.000 1 A 63.790 1
ATOM 190 H HA2 . GLY 12 12 ? A 10.869 4.635 -11.757 1.000 1 A 63.790 1
ATOM 191 H HA3 . GLY 12 12 ? A 10.664 4.324 -13.486 1.000 1 A 63.790 1
ATOM 192 N N . GLY 13 13 ? A 9.531 1.735 -12.607 1.000 1 A 65.350 1
ATOM 193 C CA . GLY 13 13 ? A 8.410 0.840 -12.295 1.000 1 A 65.350 1
ATOM 194 C C . GLY 13 13 ? A 8.340 0.465 -10.811 1.000 1 A 65.350 1
ATOM 195 O O . GLY 13 13 ? A 7.259 0.433 -10.223 1.000 1 A 65.350 1
ATOM 196 H H . GLY 13 13 ? A 10.296 1.381 -13.163 1.000 1 A 65.350 1
ATOM 197 H HA2 . GLY 13 13 ? A 7.470 1.315 -12.574 1.000 1 A 65.350 1
ATOM 198 H HA3 . GLY 13 13 ? A 8.520 -0.078 -12.872 1.000 1 A 65.350 1
ATOM 199 N N . GLY 14 14 ? A 9.500 0.239 -10.184 1.000 1 A 70.350 1
ATOM 200 C CA . GLY 14 14 ? A 9.579 -0.085 -8.758 1.000 1 A 70.350 1
ATOM 201 C C . GLY 14 14 ? A 9.111 1.059 -7.858 1.000 1 A 70.350 1
ATOM 202 O O . GLY 14 14 ? A 8.428 0.815 -6.865 1.000 1 A 70.350 1
ATOM 203 H H . GLY 14 14 ? A 10.356 0.285 -10.717 1.000 1 A 70.350 1
ATOM 204 H HA2 . GLY 14 14 ? A 10.615 -0.313 -8.504 1.000 1 A 70.350 1
ATOM 205 H HA3 . GLY 14 14 ? A 8.966 -0.961 -8.549 1.000 1 A 70.350 1
ATOM 206 N N . SER 15 15 ? A 9.407 2.310 -8.225 1.000 1 A 76.120 1
ATOM 207 C CA . SER 15 15 ? A 8.969 3.479 -7.456 1.000 1 A 76.120 1
ATOM 208 C C . SER 15 15 ? A 7.461 3.716 -7.548 1.000 1 A 76.120 1
ATOM 209 O O . SER 15 15 ? A 6.850 4.060 -6.540 1.000 1 A 76.120 1
ATOM 210 C CB . SER 15 15 ? A 9.746 4.726 -7.880 1.000 1 A 76.120 1
ATOM 211 O OG . SER 15 15 ? A 9.571 4.983 -9.256 1.000 1 A 76.120 1
ATOM 212 H H . SER 15 15 ? A 9.939 2.475 -9.068 1.000 1 A 76.120 1
ATOM 213 H HA . SER 15 15 ? A 9.195 3.300 -6.405 1.000 1 A 76.120 1
ATOM 214 H HB2 . SER 15 15 ? A 9.397 5.581 -7.302 1.000 1 A 76.120 1
ATOM 215 H HB3 . SER 15 15 ? A 10.806 4.573 -7.677 1.000 1 A 76.120 1
ATOM 216 H HG . SER 15 15 ? A 10.032 5.793 -9.486 1.000 1 A 76.120 1
ATOM 217 N N . LEU 16 16 ? A 6.833 3.466 -8.702 1.000 1 A 80.730 1
ATOM 218 C CA . LEU 16 16 ? A 5.374 3.562 -8.847 1.000 1 A 80.730 1
ATOM 219 C C . LEU 16 16 ? A 4.640 2.497 -8.025 1.000 1 A 80.730 1
ATOM 220 O O . LEU 16 16 ? A 3.646 2.808 -7.375 1.000 1 A 80.730 1
ATOM 221 C CB . LEU 16 16 ? A 4.987 3.457 -10.330 1.000 1 A 80.730 1
ATOM 222 C CG . LEU 16 16 ? A 5.402 4.670 -11.182 1.000 1 A 80.730 1
ATOM 223 C CD1 . LEU 16 16 ? A 5.099 4.372 -12.651 1.000 1 A 80.730 1
ATOM 224 C CD2 . LEU 16 16 ? A 4.655 5.945 -10.785 1.000 1 A 80.730 1
ATOM 225 H H . LEU 16 16 ? A 7.395 3.248 -9.512 1.000 1 A 80.730 1
ATOM 226 H HA . LEU 16 16 ? A 5.044 4.525 -8.456 1.000 1 A 80.730 1
ATOM 227 H HB2 . LEU 16 16 ? A 5.444 2.559 -10.745 1.000 1 A 80.730 1
ATOM 228 H HB3 . LEU 16 16 ? A 3.905 3.344 -10.401 1.000 1 A 80.730 1
ATOM 229 H HG . LEU 16 16 ? A 6.471 4.852 -11.076 1.000 1 A 80.730 1
ATOM 230 H HD11 . LEU 16 16 ? A 4.033 4.183 -12.784 1.000 1 A 80.730 1
ATOM 231 H HD12 . LEU 16 16 ? A 5.668 3.499 -12.968 1.000 1 A 80.730 1
ATOM 232 H HD13 . LEU 16 16 ? A 5.396 5.222 -13.266 1.000 1 A 80.730 1
ATOM 233 H HD21 . LEU 16 16 ? A 4.931 6.247 -9.774 1.000 1 A 80.730 1
ATOM 234 H HD22 . LEU 16 16 ? A 3.578 5.780 -10.832 1.000 1 A 80.730 1
ATOM 235 H HD23 . LEU 16 16 ? A 4.925 6.755 -11.463 1.000 1 A 80.730 1
ATOM 236 N N . ILE 17 17 ? A 5.151 1.262 -8.003 1.000 1 A 85.420 1
ATOM 237 C CA . ILE 17 17 ? A 4.608 0.194 -7.151 1.000 1 A 85.420 1
ATOM 238 C C . ILE 17 17 ? A 4.781 0.543 -5.671 1.000 1 A 85.420 1
ATOM 239 O O . ILE 17 17 ? A 3.840 0.382 -4.899 1.000 1 A 85.420 1
ATOM 240 C CB . ILE 17 17 ? A 5.249 -1.160 -7.526 1.000 1 A 85.420 1
ATOM 241 C CG1 . ILE 17 17 ? A 4.607 -1.655 -8.842 1.000 1 A 85.420 1
ATOM 242 C CG2 . ILE 17 17 ? A 5.091 -2.215 -6.413 1.000 1 A 85.420 1
ATOM 243 C CD1 . ILE 17 17 ? A 5.384 -2.784 -9.528 1.000 1 A 85.420 1
ATOM 244 H H . ILE 17 17 ? A 5.954 1.064 -8.583 1.000 1 A 85.420 1
ATOM 245 H HA . ILE 17 17 ? A 3.533 0.122 -7.321 1.000 1 A 85.420 1
ATOM 246 H HB . ILE 17 17 ? A 6.316 -1.005 -7.688 1.000 1 A 85.420 1
ATOM 247 H HG12 . ILE 17 17 ? A 3.587 -1.986 -8.650 1.000 1 A 85.420 1
ATOM 248 H HG13 . ILE 17 17 ? A 4.561 -0.828 -9.551 1.000 1 A 85.420 1
ATOM 249 H HG21 . ILE 17 17 ? A 5.494 -3.175 -6.734 1.000 1 A 85.420 1
ATOM 250 H HG22 . ILE 17 17 ? A 5.642 -1.917 -5.521 1.000 1 A 85.420 1
ATOM 251 H HG23 . ILE 17 17 ? A 4.038 -2.337 -6.159 1.000 1 A 85.420 1
ATOM 252 H HD11 . ILE 17 17 ? A 4.925 -3.001 -10.493 1.000 1 A 85.420 1
ATOM 253 H HD12 . ILE 17 17 ? A 6.418 -2.478 -9.689 1.000 1 A 85.420 1
ATOM 254 H HD13 . ILE 17 17 ? A 5.362 -3.690 -8.922 1.000 1 A 85.420 1
ATOM 255 N N . ALA 18 18 ? A 5.946 1.060 -5.272 1.000 1 A 86.330 1
ATOM 256 C CA . ALA 18 18 ? A 6.182 1.483 -3.894 1.000 1 A 86.330 1
ATOM 257 C C . ALA 18 18 ? A 5.234 2.617 -3.469 1.000 1 A 86.330 1
ATOM 258 O O . ALA 18 18 ? A 4.665 2.558 -2.382 1.000 1 A 86.330 1
ATOM 259 C CB . ALA 18 18 ? A 7.652 1.887 -3.747 1.000 1 A 86.330 1
ATOM 260 H H . ALA 18 18 ? A 6.702 1.142 -5.936 1.000 1 A 86.330 1
ATOM 261 H HA . ALA 18 18 ? A 5.991 0.638 -3.232 1.000 1 A 86.330 1
ATOM 262 H HB1 . ALA 18 18 ? A 8.294 1.049 -4.018 1.000 1 A 86.330 1
ATOM 263 H HB2 . ALA 18 18 ? A 7.876 2.738 -4.391 1.000 1 A 86.330 1
ATOM 264 H HB3 . ALA 18 18 ? A 7.848 2.163 -2.711 1.000 1 A 86.330 1
ATOM 265 N N . LEU 19 19 ? A 5.013 3.611 -4.336 1.000 1 A 88.710 1
ATOM 266 C CA . LEU 19 19 ? A 4.059 4.697 -4.095 1.000 1 A 88.710 1
ATOM 267 C C . LEU 19 19 ? A 2.616 4.188 -4.010 1.000 1 A 88.710 1
ATOM 268 O O . LEU 19 19 ? A 1.881 4.601 -3.119 1.000 1 A 88.710 1
ATOM 269 C CB . LEU 19 19 ? A 4.192 5.751 -5.208 1.000 1 A 88.710 1
ATOM 270 C CG . LEU 19 19 ? A 5.443 6.638 -5.088 1.000 1 A 88.710 1
ATOM 271 C CD1 . LEU 19 19 ? A 5.630 7.433 -6.382 1.000 1 A 88.710 1
ATOM 272 C CD2 . LEU 19 19 ? A 5.332 7.631 -3.928 1.000 1 A 88.710 1
ATOM 273 H H . LEU 19 19 ? A 5.536 3.618 -5.200 1.000 1 A 88.710 1
ATOM 274 H HA . LEU 19 19 ? A 4.280 5.155 -3.131 1.000 1 A 88.710 1
ATOM 275 H HB2 . LEU 19 19 ? A 3.314 6.396 -5.189 1.000 1 A 88.710 1
ATOM 276 H HB3 . LEU 19 19 ? A 4.202 5.240 -6.171 1.000 1 A 88.710 1
ATOM 277 H HG . LEU 19 19 ? A 6.327 6.021 -4.929 1.000 1 A 88.710 1
ATOM 278 H HD11 . LEU 19 19 ? A 6.515 8.064 -6.300 1.000 1 A 88.710 1
ATOM 279 H HD12 . LEU 19 19 ? A 5.766 6.742 -7.214 1.000 1 A 88.710 1
ATOM 280 H HD13 . LEU 19 19 ? A 4.755 8.056 -6.566 1.000 1 A 88.710 1
ATOM 281 H HD21 . LEU 19 19 ? A 4.442 8.249 -4.045 1.000 1 A 88.710 1
ATOM 282 H HD22 . LEU 19 19 ? A 5.272 7.099 -2.978 1.000 1 A 88.710 1
ATOM 283 H HD23 . LEU 19 19 ? A 6.213 8.272 -3.904 1.000 1 A 88.710 1
ATOM 284 N N . ALA 20 20 ? A 2.219 3.265 -4.890 1.000 1 A 89.050 1
ATOM 285 C CA . ALA 20 20 ? A 0.889 2.662 -4.852 1.000 1 A 89.050 1
ATOM 286 C C . ALA 20 20 ? A 0.663 1.849 -3.568 1.000 1 A 89.050 1
ATOM 287 O O . ALA 20 20 ? A -0.409 1.933 -2.976 1.000 1 A 89.050 1
ATOM 288 C CB . ALA 20 20 ? A 0.704 1.798 -6.105 1.000 1 A 89.050 1
ATOM 289 H H . ALA 20 20 ? A 2.852 2.987 -5.626 1.000 1 A 89.050 1
ATOM 290 H HA . ALA 20 20 ? A 0.144 3.458 -4.868 1.000 1 A 89.050 1
ATOM 291 H HB1 . ALA 20 20 ? A -0.299 1.372 -6.105 1.000 1 A 89.050 1
ATOM 292 H HB2 . ALA 20 20 ? A 0.828 2.412 -6.997 1.000 1 A 89.050 1
ATOM 293 H HB3 . ALA 20 20 ? A 1.436 0.991 -6.116 1.000 1 A 89.050 1
ATOM 294 N N . LEU 21 21 ? A 1.673 1.099 -3.112 1.000 1 A 91.880 1
ATOM 295 C CA . LEU 21 21 ? A 1.620 0.353 -1.852 1.000 1 A 91.880 1
ATOM 296 C C . LEU 21 21 ? A 1.557 1.283 -0.637 1.000 1 A 91.880 1
ATOM 297 O O . LEU 21 21 ? A 0.788 1.010 0.278 1.000 1 A 91.880 1
ATOM 298 C CB . LEU 21 21 ? A 2.842 -0.576 -1.744 1.000 1 A 91.880 1
ATOM 299 C CG . LEU 21 21 ? A 2.784 -1.813 -2.655 1.000 1 A 91.880 1
ATOM 300 C CD1 . LEU 21 21 ? A 4.144 -2.513 -2.640 1.000 1 A 91.880 1
ATOM 301 C CD2 . LEU 21 21 ? A 1.725 -2.819 -2.196 1.000 1 A 91.880 1
ATOM 302 H H . LEU 21 21 ? A 2.517 1.050 -3.665 1.000 1 A 91.880 1
ATOM 303 H HA . LEU 21 21 ? A 0.706 -0.239 -1.829 1.000 1 A 91.880 1
ATOM 304 H HB2 . LEU 21 21 ? A 3.736 0.001 -1.978 1.000 1 A 91.880 1
ATOM 305 H HB3 . LEU 21 21 ? A 2.933 -0.917 -0.712 1.000 1 A 91.880 1
ATOM 306 H HG . LEU 21 21 ? A 2.556 -1.516 -3.679 1.000 1 A 91.880 1
ATOM 307 H HD11 . LEU 21 21 ? A 4.390 -2.829 -1.626 1.000 1 A 91.880 1
ATOM 308 H HD12 . LEU 21 21 ? A 4.117 -3.382 -3.297 1.000 1 A 91.880 1
ATOM 309 H HD13 . LEU 21 21 ? A 4.909 -1.826 -3.001 1.000 1 A 91.880 1
ATOM 310 H HD21 . LEU 21 21 ? A 0.731 -2.381 -2.276 1.000 1 A 91.880 1
ATOM 311 H HD22 . LEU 21 21 ? A 1.759 -3.705 -2.830 1.000 1 A 91.880 1
ATOM 312 H HD23 . LEU 21 21 ? A 1.905 -3.108 -1.160 1.000 1 A 91.880 1
ATOM 313 N N . LEU 22 22 ? A 2.320 2.379 -0.638 1.000 1 A 93.470 1
ATOM 314 C CA . LEU 22 22 ? A 2.251 3.412 0.401 1.000 1 A 93.470 1
ATOM 315 C C . LEU 22 22 ? A 0.859 4.044 0.472 1.000 1 A 93.470 1
ATOM 316 O O . LEU 22 22 ? A 0.298 4.143 1.557 1.000 1 A 93.470 1
ATOM 317 C CB . LEU 22 22 ? A 3.327 4.481 0.131 1.000 1 A 93.470 1
ATOM 318 C CG . LEU 22 22 ? A 4.637 4.195 0.882 1.000 1 A 93.470 1
ATOM 319 C CD1 . LEU 22 22 ? A 5.819 4.858 0.177 1.000 1 A 93.470 1
ATOM 320 C CD2 . LEU 22 22 ? A 4.565 4.737 2.312 1.000 1 A 93.470 1
ATOM 321 H H . LEU 22 22 ? A 2.960 2.518 -1.407 1.000 1 A 93.470 1
ATOM 322 H HA . LEU 22 22 ? A 2.429 2.952 1.373 1.000 1 A 93.470 1
ATOM 323 H HB2 . LEU 22 22 ? A 2.957 5.459 0.439 1.000 1 A 93.470 1
ATOM 324 H HB3 . LEU 22 22 ? A 3.516 4.536 -0.941 1.000 1 A 93.470 1
ATOM 325 H HG . LEU 22 22 ? A 4.819 3.120 0.911 1.000 1 A 93.470 1
ATOM 326 H HD11 . LEU 22 22 ? A 5.914 4.452 -0.830 1.000 1 A 93.470 1
ATOM 327 H HD12 . LEU 22 22 ? A 6.736 4.654 0.730 1.000 1 A 93.470 1
ATOM 328 H HD13 . LEU 22 22 ? A 5.658 5.934 0.121 1.000 1 A 93.470 1
ATOM 329 H HD21 . LEU 22 22 ? A 5.481 4.492 2.849 1.000 1 A 93.470 1
ATOM 330 H HD22 . LEU 22 22 ? A 3.722 4.288 2.837 1.000 1 A 93.470 1
ATOM 331 H HD23 . LEU 22 22 ? A 4.431 5.819 2.302 1.000 1 A 93.470 1
ATOM 332 N N . TRP 23 23 ? A 0.282 4.404 -0.676 1.000 1 A 93.460 1
ATOM 333 C CA . TRP 23 23 ? A -1.073 4.953 -0.743 1.000 1 A 93.460 1
ATOM 334 C C . TRP 23 23 ? A -2.130 3.956 -0.251 1.000 1 A 93.460 1
ATOM 335 O O . TRP 23 23 ? A -3.014 4.317 0.520 1.000 1 A 93.460 1
ATOM 336 C CB . TRP 23 23 ? A -1.355 5.396 -2.182 1.000 1 A 93.460 1
ATOM 337 C CG . TRP 23 23 ? A -2.713 5.988 -2.375 1.000 1 A 93.460 1
ATOM 338 C CD1 . TRP 23 23 ? A -3.145 7.137 -1.809 1.000 1 A 93.460 1
ATOM 339 C CD2 . TRP 23 23 ? A -3.865 5.432 -3.080 1.000 1 A 93.460 1
ATOM 340 N NE1 . TRP 23 23 ? A -4.469 7.347 -2.134 1.000 1 A 93.460 1
ATOM 341 C CE2 . TRP 23 23 ? A -4.963 6.330 -2.921 1.000 1 A 93.460 1
ATOM 342 C CE3 . TRP 23 23 ? A -4.105 4.243 -3.805 1.000 1 A 93.460 1
ATOM 343 C CZ2 . TRP 23 23 ? A -6.226 6.076 -3.473 1.000 1 A 93.460 1
ATOM 344 C CZ3 . TRP 23 23 ? A -5.372 3.975 -4.361 1.000 1 A 93.460 1
ATOM 345 C CH2 . TRP 23 23 ? A -6.429 4.891 -4.201 1.000 1 A 93.460 1
ATOM 346 H H . TRP 23 23 ? A 0.813 4.326 -1.532 1.000 1 A 93.460 1
ATOM 347 H HA . TRP 23 23 ? A -1.137 5.822 -0.088 1.000 1 A 93.460 1
ATOM 348 H HB2 . TRP 23 23 ? A -1.250 4.540 -2.848 1.000 1 A 93.460 1
ATOM 349 H HB3 . TRP 23 23 ? A -0.613 6.139 -2.473 1.000 1 A 93.460 1
ATOM 350 H HD1 . TRP 23 23 ? A -2.561 7.758 -1.146 1.000 1 A 93.460 1
ATOM 351 H HE1 . TRP 23 23 ? A -5.023 8.079 -1.712 1.000 1 A 93.460 1
ATOM 352 H HE3 . TRP 23 23 ? A -3.307 3.522 -3.903 1.000 1 A 93.460 1
ATOM 353 H HZ2 . TRP 23 23 ? A -7.036 6.771 -3.310 1.000 1 A 93.460 1
ATOM 354 H HZ3 . TRP 23 23 ? A -5.541 3.049 -4.889 1.000 1 A 93.460 1
ATOM 355 H HH2 . TRP 23 23 ? A -7.404 4.670 -4.610 1.000 1 A 93.460 1
ATOM 356 N N . PHE 24 24 ? A -2.013 2.683 -0.637 1.000 1 A 92.520 1
ATOM 357 C CA . PHE 24 24 ? A -2.902 1.637 -0.133 1.000 1 A 92.520 1
ATOM 358 C C . PHE 24 24 ? A -2.750 1.409 1.371 1.000 1 A 92.520 1
ATOM 359 O O . PHE 24 24 ? A -3.750 1.174 2.041 1.000 1 A 92.520 1
ATOM 360 C CB . PHE 24 24 ? A -2.675 0.322 -0.891 1.000 1 A 92.520 1
ATOM 361 C CG . PHE 24 24 ? A -3.780 0.017 -1.874 1.000 1 A 92.520 1
ATOM 362 C CD1 . PHE 24 24 ? A -4.988 -0.535 -1.408 1.000 1 A 92.520 1
ATOM 363 C CD2 . PHE 24 24 ? A -3.622 0.306 -3.241 1.000 1 A 92.520 1
ATOM 364 C CE1 . PHE 24 24 ? A -6.031 -0.810 -2.309 1.000 1 A 92.520 1
ATOM 365 C CE2 . PHE 24 24 ? A -4.664 0.030 -4.143 1.000 1 A 92.520 1
ATOM 366 C CZ . PHE 24 24 ? A -5.868 -0.530 -3.677 1.000 1 A 92.520 1
ATOM 367 H H . PHE 24 24 ? A -1.290 2.438 -1.299 1.000 1 A 92.520 1
ATOM 368 H HA . PHE 24 24 ? A -3.932 1.960 -0.289 1.000 1 A 92.520 1
ATOM 369 H HB2 . PHE 24 24 ? A -2.633 -0.503 -0.179 1.000 1 A 92.520 1
ATOM 370 H HB3 . PHE 24 24 ? A -1.711 0.335 -1.400 1.000 1 A 92.520 1
ATOM 371 H HD1 . PHE 24 24 ? A -5.117 -0.729 -0.354 1.000 1 A 92.520 1
ATOM 372 H HD2 . PHE 24 24 ? A -2.703 0.753 -3.591 1.000 1 A 92.520 1
ATOM 373 H HE1 . PHE 24 24 ? A -6.962 -1.219 -1.944 1.000 1 A 92.520 1
ATOM 374 H HE2 . PHE 24 24 ? A -4.544 0.262 -5.191 1.000 1 A 92.520 1
ATOM 375 H HZ . PHE 24 24 ? A -6.675 -0.730 -4.368 1.000 1 A 92.520 1
ATOM 376 N N . ALA 25 25 ? A -1.525 1.457 1.899 1.000 1 A 92.450 1
ATOM 377 C CA . ALA 25 25 ? A -1.271 1.288 3.325 1.000 1 A 92.450 1
ATOM 378 C C . ALA 25 25 ? A -1.911 2.417 4.143 1.000 1 A 92.450 1
ATOM 379 O O . ALA 25 25 ? A -2.582 2.130 5.129 1.000 1 A 92.450 1
ATOM 380 C CB . ALA 25 25 ? A 0.241 1.197 3.557 1.000 1 A 92.450 1
ATOM 381 H H . ALA 25 25 ? A -0.737 1.635 1.294 1.000 1 A 92.450 1
ATOM 382 H HA . ALA 25 25 ? A -1.727 0.354 3.653 1.000 1 A 92.450 1
ATOM 383 H HB1 . ALA 25 25 ? A 0.652 0.358 2.995 1.000 1 A 92.450 1
ATOM 384 H HB2 . ALA 25 25 ? A 0.725 2.120 3.238 1.000 1 A 92.450 1
ATOM 385 H HB3 . ALA 25 25 ? A 0.432 1.047 4.620 1.000 1 A 92.450 1
ATOM 386 N N . ASP 26 26 ? A -1.761 3.663 3.692 1.000 1 A 93.300 1
ATOM 387 C CA . ASP 26 26 ? A -2.378 4.846 4.303 1.000 1 A 93.300 1
ATOM 388 C C . ASP 26 26 ? A -3.913 4.728 4.327 1.000 1 A 93.300 1
ATOM 389 O O . ASP 26 26 ? A -4.529 4.773 5.391 1.000 1 A 93.300 1
ATOM 390 C CB . ASP 26 26 ? A -1.892 6.068 3.513 1.000 1 A 93.300 1
ATOM 391 C CG . ASP 26 26 ? A -2.179 7.388 4.220 1.000 1 A 93.300 1
ATOM 392 O OD1 . ASP 26 26 ? A -1.551 7.602 5.281 1.000 1 A 93.300 1
ATOM 393 O OD2 . ASP 26 26 ? A -2.913 8.198 3.617 1.000 1 A 93.300 1
ATOM 394 H H . ASP 26 26 ? A -1.184 3.820 2.878 1.000 1 A 93.300 1
ATOM 395 H HA . ASP 26 26 ? A -2.035 4.942 5.333 1.000 1 A 93.300 1
ATOM 396 H HB2 . ASP 26 26 ? A -2.345 6.068 2.522 1.000 1 A 93.300 1
ATOM 397 H HB3 . ASP 26 26 ? A -0.813 5.994 3.379 1.000 1 A 93.300 1
ATOM 398 N N . TYR 27 27 ? A -4.521 4.391 3.182 1.000 1 A 91.650 1
ATOM 399 C CA . TYR 27 27 ? A -5.963 4.143 3.081 1.000 1 A 91.650 1
ATOM 400 C C . TYR 27 27 ? A -6.449 3.014 4.006 1.000 1 A 91.650 1
ATOM 401 O O . TYR 27 27 ? A -7.531 3.088 4.592 1.000 1 A 91.650 1
ATOM 402 C CB . TYR 27 27 ? A -6.297 3.807 1.620 1.000 1 A 91.650 1
ATOM 403 C CG . TYR 27 27 ? A -7.771 3.537 1.382 1.000 1 A 91.650 1
ATOM 404 C CD1 . TYR 27 27 ? A -8.253 2.217 1.276 1.000 1 A 91.650 1
ATOM 405 C CD2 . TYR 27 27 ? A -8.668 4.619 1.326 1.000 1 A 91.650 1
ATOM 406 C CE1 . TYR 27 27 ? A -9.632 1.980 1.105 1.000 1 A 91.650 1
ATOM 407 C CE2 . TYR 27 27 ? A -10.045 4.390 1.154 1.000 1 A 91.650 1
ATOM 408 C CZ . TYR 27 27 ? A -10.528 3.068 1.046 1.000 1 A 91.650 1
ATOM 409 O OH . TYR 27 27 ? A -11.861 2.847 0.894 1.000 1 A 91.650 1
ATOM 410 H H . TYR 27 27 ? A -3.967 4.385 2.337 1.000 1 A 91.650 1
ATOM 411 H HA . TYR 27 27 ? A -6.492 5.052 3.369 1.000 1 A 91.650 1
ATOM 412 H HB2 . TYR 27 27 ? A -5.720 2.935 1.312 1.000 1 A 91.650 1
ATOM 413 H HB3 . TYR 27 27 ? A -5.990 4.642 0.991 1.000 1 A 91.650 1
ATOM 414 H HD1 . TYR 27 27 ? A -7.562 1.390 1.352 1.000 1 A 91.650 1
ATOM 415 H HD2 . TYR 27 27 ? A -8.298 5.625 1.460 1.000 1 A 91.650 1
ATOM 416 H HE1 . TYR 27 27 ? A -10.014 0.972 1.041 1.000 1 A 91.650 1
ATOM 417 H HE2 . TYR 27 27 ? A -10.725 5.229 1.140 1.000 1 A 91.650 1
ATOM 418 H HH . TYR 27 27 ? A -12.340 3.677 0.953 1.000 1 A 91.650 1
ATOM 419 N N . TYR 28 28 ? A -5.662 1.942 4.146 1.000 1 A 88.500 1
ATOM 420 C CA . TYR 28 28 ? A -6.030 0.807 4.993 1.000 1 A 88.500 1
ATOM 421 C C . TYR 28 28 ? A -5.958 1.153 6.485 1.000 1 A 88.500 1
ATOM 422 O O . TYR 28 28 ? A -6.778 0.659 7.260 1.000 1 A 88.500 1
ATOM 423 C CB . TYR 28 28 ? A -5.150 -0.405 4.663 1.000 1 A 88.500 1
ATOM 424 C CG . TYR 28 28 ? A -5.879 -1.728 4.766 1.000 1 A 88.500 1
ATOM 425 C CD1 . TYR 28 28 ? A -5.915 -2.434 5.981 1.000 1 A 88.500 1
ATOM 426 C CD2 . TYR 28 28 ? A -6.526 -2.247 3.628 1.000 1 A 88.500 1
ATOM 427 C CE1 . TYR 28 28 ? A -6.585 -3.671 6.057 1.000 1 A 88.500 1
ATOM 428 C CE2 . TYR 28 28 ? A -7.197 -3.482 3.698 1.000 1 A 88.500 1
ATOM 429 C CZ . TYR 28 28 ? A -7.225 -4.195 4.913 1.000 1 A 88.500 1
ATOM 430 O OH . TYR 28 28 ? A -7.868 -5.391 4.985 1.000 1 A 88.500 1
ATOM 431 H H . TYR 28 28 ? A -4.781 1.928 3.653 1.000 1 A 88.500 1
ATOM 432 H HA . TYR 28 28 ? A -7.064 0.549 4.769 1.000 1 A 88.500 1
ATOM 433 H HB2 . TYR 28 28 ? A -4.793 -0.327 3.636 1.000 1 A 88.500 1
ATOM 434 H HB3 . TYR 28 28 ? A -4.269 -0.409 5.304 1.000 1 A 88.500 1
ATOM 435 H HD1 . TYR 28 28 ? A -5.433 -2.013 6.852 1.000 1 A 88.500 1
ATOM 436 H HD2 . TYR 28 28 ? A -6.506 -1.690 2.703 1.000 1 A 88.500 1
ATOM 437 H HE1 . TYR 28 28 ? A -6.610 -4.212 6.991 1.000 1 A 88.500 1
ATOM 438 H HE2 . TYR 28 28 ? A -7.694 -3.888 2.830 1.000 1 A 88.500 1
ATOM 439 H HH . TYR 28 28 ? A -7.802 -5.760 5.869 1.000 1 A 88.500 1
ATOM 440 N N . VAL 29 29 ? A -5.003 1.998 6.887 1.000 1 A 91.190 1
ATOM 441 C CA . VAL 29 29 ? A -4.902 2.509 8.261 1.000 1 A 91.190 1
ATOM 442 C C . VAL 29 29 ? A -6.116 3.374 8.587 1.000 1 A 91.190 1
ATOM 443 O O . VAL 29 29 ? A -6.810 3.060 9.554 1.000 1 A 91.190 1
ATOM 444 C CB . VAL 29 29 ? A -3.576 3.259 8.490 1.000 1 A 91.190 1
ATOM 445 C CG1 . VAL 29 29 ? A -3.542 3.991 9.838 1.000 1 A 91.190 1
ATOM 446 C CG2 . VAL 29 29 ? A -2.401 2.269 8.490 1.000 1 A 91.190 1
ATOM 447 H H . VAL 29 29 ? A -4.380 2.389 6.195 1.000 1 A 91.190 1
ATOM 448 H HA . VAL 29 29 ? A -4.931 1.666 8.953 1.000 1 A 91.190 1
ATOM 449 H HB . VAL 29 29 ? A -3.423 3.989 7.695 1.000 1 A 91.190 1
ATOM 450 H HG11 . VAL 29 29 ? A -4.267 4.805 9.846 1.000 1 A 91.190 1
ATOM 451 H HG12 . VAL 29 29 ? A -3.770 3.309 10.657 1.000 1 A 91.190 1
ATOM 452 H HG13 . VAL 29 29 ? A -2.560 4.436 9.998 1.000 1 A 91.190 1
ATOM 453 H HG21 . VAL 29 29 ? A -2.483 1.594 9.342 1.000 1 A 91.190 1
ATOM 454 H HG22 . VAL 29 29 ? A -2.397 1.683 7.571 1.000 1 A 91.190 1
ATOM 455 H HG23 . VAL 29 29 ? A -1.464 2.823 8.551 1.000 1 A 91.190 1
ATOM 456 N N . GLU 30 30 ? A -6.450 4.358 7.745 1.000 1 A 88.950 1
ATOM 457 C CA . GLU 30 30 ? A -7.648 5.193 7.943 1.000 1 A 88.950 1
ATOM 458 C C . GLU 30 30 ? A -8.929 4.348 8.020 1.000 1 A 88.950 1
ATOM 459 O O . GLU 30 30 ? A -9.789 4.572 8.874 1.000 1 A 88.950 1
ATOM 460 C CB . GLU 30 30 ? A -7.811 6.198 6.792 1.000 1 A 88.950 1
ATOM 461 C CG . GLU 30 30 ? A -6.848 7.393 6.851 1.000 1 A 88.950 1
ATOM 462 C CD . GLU 30 30 ? A -7.208 8.480 5.816 1.000 1 A 88.950 1
ATOM 463 O OE1 . GLU 30 30 ? A -6.785 9.642 6.015 1.000 1 A 88.950 1
ATOM 464 O OE2 . GLU 30 30 ? A -7.960 8.174 4.855 1.000 1 A 88.950 1
ATOM 465 H H . GLU 30 30 ? A -5.835 4.584 6.977 1.000 1 A 88.950 1
ATOM 466 H HA . GLU 30 30 ? A -7.558 5.742 8.881 1.000 1 A 88.950 1
ATOM 467 H HB2 . GLU 30 30 ? A -7.696 5.679 5.840 1.000 1 A 88.950 1
ATOM 468 H HB3 . GLU 30 30 ? A -8.826 6.593 6.841 1.000 1 A 88.950 1
ATOM 469 H HG2 . GLU 30 30 ? A -5.832 7.041 6.676 1.000 1 A 88.950 1
ATOM 470 H HG3 . GLU 30 30 ? A -6.894 7.823 7.851 1.000 1 A 88.950 1
ATOM 471 N N . PHE 31 31 ? A -9.054 3.325 7.167 1.000 1 A 88.600 1
ATOM 472 C CA . PHE 31 31 ? A -10.201 2.417 7.195 1.000 1 A 88.600 1
ATOM 473 C C . PHE 31 31 ? A -10.314 1.645 8.519 1.000 1 A 88.600 1
ATOM 474 O O . PHE 31 31 ? A -11.419 1.482 9.048 1.000 1 A 88.600 1
ATOM 475 C CB . PHE 31 31 ? A -10.112 1.446 6.012 1.000 1 A 88.600 1
ATOM 476 C CG . PHE 31 31 ? A -11.225 0.416 6.004 1.000 1 A 88.600 1
ATOM 477 C CD1 . PHE 31 31 ? A -11.002 -0.877 6.516 1.000 1 A 88.600 1
ATOM 478 C CD2 . PHE 31 31 ? A -12.500 0.766 5.527 1.000 1 A 88.600 1
ATOM 479 C CE1 . PHE 31 31 ? A -12.046 -1.820 6.536 1.000 1 A 88.600 1
ATOM 480 C CE2 . PHE 31 31 ? A -13.546 -0.174 5.546 1.000 1 A 88.600 1
ATOM 481 C CZ . PHE 31 31 ? A -13.318 -1.469 6.046 1.000 1 A 88.600 1
ATOM 482 H H . PHE 31 31 ? A -8.355 3.222 6.446 1.000 1 A 88.600 1
ATOM 483 H HA . PHE 31 31 ? A -11.109 3.012 7.091 1.000 1 A 88.600 1
ATOM 484 H HB2 . PHE 31 31 ? A -10.147 2.017 5.084 1.000 1 A 88.600 1
ATOM 485 H HB3 . PHE 31 31 ? A -9.152 0.930 6.042 1.000 1 A 88.600 1
ATOM 486 H HD1 . PHE 31 31 ? A -10.023 -1.137 6.890 1.000 1 A 88.600 1
ATOM 487 H HD2 . PHE 31 31 ? A -12.670 1.763 5.148 1.000 1 A 88.600 1
ATOM 488 H HE1 . PHE 31 31 ? A -11.857 -2.814 6.914 1.000 1 A 88.600 1
ATOM 489 H HE2 . PHE 31 31 ? A -14.518 0.106 5.168 1.000 1 A 88.600 1
ATOM 490 H HZ . PHE 31 31 ? A -14.116 -2.198 6.040 1.000 1 A 88.600 1
ATOM 491 N N . ILE 32 32 ? A -9.191 1.153 9.055 1.000 1 A 88.160 1
ATOM 492 C CA . ILE 32 32 ? A -9.168 0.447 10.342 1.000 1 A 88.160 1
ATOM 493 C C . ILE 32 32 ? A -9.513 1.407 11.478 1.000 1 A 88.160 1
ATOM 494 O O . ILE 32 32 ? A -10.349 1.055 12.310 1.000 1 A 88.160 1
ATOM 495 C CB . ILE 32 32 ? A -7.815 -0.265 10.576 1.000 1 A 88.160 1
ATOM 496 C CG1 . ILE 32 32 ? A -7.704 -1.480 9.626 1.000 1 A 88.160 1
ATOM 497 C CG2 . ILE 32 32 ? A -7.676 -0.740 12.040 1.000 1 A 88.160 1
ATOM 498 C CD1 . ILE 32 32 ? A -6.344 -2.188 9.676 1.000 1 A 88.160 1
ATOM 499 H H . ILE 32 32 ? A -8.314 1.371 8.604 1.000 1 A 88.160 1
ATOM 500 H HA . ILE 32 32 ? A -9.951 -0.311 10.331 1.000 1 A 88.160 1
ATOM 501 H HB . ILE 32 32 ? A -7.006 0.432 10.362 1.000 1 A 88.160 1
ATOM 502 H HG12 . ILE 32 32 ? A -8.482 -2.203 9.875 1.000 1 A 88.160 1
ATOM 503 H HG13 . ILE 32 32 ? A -7.877 -1.158 8.599 1.000 1 A 88.160 1
ATOM 504 H HG21 . ILE 32 32 ? A -7.689 0.114 12.718 1.000 1 A 88.160 1
ATOM 505 H HG22 . ILE 32 32 ? A -8.489 -1.418 12.300 1.000 1 A 88.160 1
ATOM 506 H HG23 . ILE 32 32 ? A -6.716 -1.231 12.199 1.000 1 A 88.160 1
ATOM 507 H HD11 . ILE 32 32 ? A -5.545 -1.469 9.490 1.000 1 A 88.160 1
ATOM 508 H HD12 . ILE 32 32 ? A -6.190 -2.670 10.641 1.000 1 A 88.160 1
ATOM 509 H HD13 . ILE 32 32 ? A -6.313 -2.961 8.908 1.000 1 A 88.160 1
ATOM 510 N N . GLU 33 33 ? A -8.913 2.597 11.507 1.000 1 A 89.140 1
ATOM 511 C CA . GLU 33 33 ? A -9.175 3.609 12.535 1.000 1 A 89.140 1
ATOM 512 C C . GLU 33 33 ? A -10.650 4.021 12.552 1.000 1 A 89.140 1
ATOM 513 O O . GLU 33 33 ? A -11.287 3.970 13.606 1.000 1 A 89.140 1
ATOM 514 C CB . GLU 33 33 ? A -8.266 4.830 12.325 1.000 1 A 89.140 1
ATOM 515 C CG . GLU 33 33 ? A -6.805 4.516 12.692 1.000 1 A 89.140 1
ATOM 516 C CD . GLU 33 33 ? A -5.879 5.740 12.612 1.000 1 A 89.140 1
ATOM 517 O OE1 . GLU 33 33 ? A -4.766 5.637 13.182 1.000 1 A 89.140 1
ATOM 518 O OE2 . GLU 33 33 ? A -6.284 6.764 12.020 1.000 1 A 89.140 1
ATOM 519 H H . GLU 33 33 ? A -8.242 2.828 10.788 1.000 1 A 89.140 1
ATOM 520 H HA . GLU 33 33 ? A -8.957 3.188 13.517 1.000 1 A 89.140 1
ATOM 521 H HB2 . GLU 33 33 ? A -8.616 5.633 12.973 1.000 1 A 89.140 1
ATOM 522 H HB3 . GLU 33 33 ? A -8.330 5.160 11.289 1.000 1 A 89.140 1
ATOM 523 H HG2 . GLU 33 33 ? A -6.789 4.129 13.711 1.000 1 A 89.140 1
ATOM 524 H HG3 . GLU 33 33 ? A -6.422 3.731 12.040 1.000 1 A 89.140 1
ATOM 525 N N . ALA 34 34 ? A -11.239 4.292 11.383 1.000 1 A 86.940 1
ATOM 526 C CA . ALA 34 34 ? A -12.660 4.610 11.259 1.000 1 A 86.940 1
ATOM 527 C C . ALA 34 34 ? A -13.565 3.466 11.755 1.000 1 A 86.940 1
ATOM 528 O O . ALA 34 34 ? A -14.576 3.696 12.424 1.000 1 A 86.940 1
ATOM 529 C CB . ALA 34 34 ? A -12.946 4.945 9.791 1.000 1 A 86.940 1
ATOM 530 H H . ALA 34 34 ? A -10.661 4.349 10.557 1.000 1 A 86.940 1
ATOM 531 H HA . ALA 34 34 ? A -12.873 5.489 11.868 1.000 1 A 86.940 1
ATOM 532 H HB1 . ALA 34 34 ? A -12.718 4.088 9.158 1.000 1 A 86.940 1
ATOM 533 H HB2 . ALA 34 34 ? A -12.327 5.787 9.480 1.000 1 A 86.940 1
ATOM 534 H HB3 . ALA 34 34 ? A -13.995 5.218 9.674 1.000 1 A 86.940 1
ATOM 535 N N . ARG 35 35 ? A -13.204 2.208 11.462 1.000 1 A 85.420 1
ATOM 536 C CA . ARG 35 35 ? A -13.936 1.037 11.972 1.000 1 A 85.420 1
ATOM 537 C C . ARG 35 35 ? A -13.786 0.852 13.477 1.000 1 A 85.420 1
ATOM 538 O O . ARG 35 35 ? A -14.722 0.353 14.105 1.000 1 A 85.420 1
ATOM 539 C CB . ARG 35 35 ? A -13.479 -0.244 11.258 1.000 1 A 85.420 1
ATOM 540 C CG . ARG 35 35 ? A -14.524 -0.714 10.245 1.000 1 A 85.420 1
ATOM 541 C CD . ARG 35 35 ? A -14.165 -2.121 9.762 1.000 1 A 85.420 1
ATOM 542 N NE . ARG 35 35 ? A -15.267 -2.711 8.978 1.000 1 A 85.420 1
ATOM 543 C CZ . ARG 35 35 ? A -15.622 -3.981 8.946 1.000 1 A 85.420 1
ATOM 544 N NH1 . ARG 35 35 ? A -14.978 -4.898 9.615 1.000 1 A 85.420 1
ATOM 545 N NH2 . ARG 35 35 ? A -16.644 -4.358 8.231 1.000 1 A 85.420 1
ATOM 546 H H . ARG 35 35 ? A -12.365 2.077 10.915 1.000 1 A 85.420 1
ATOM 547 H HA . ARG 35 35 ? A -15.001 1.205 11.811 1.000 1 A 85.420 1
ATOM 548 H HB2 . ARG 35 35 ? A -12.519 -0.094 10.765 1.000 1 A 85.420 1
ATOM 549 H HB3 . ARG 35 35 ? A -13.344 -1.032 11.998 1.000 1 A 85.420 1
ATOM 550 H HG2 . ARG 35 35 ? A -15.500 -0.746 10.728 1.000 1 A 85.420 1
ATOM 551 H HG3 . ARG 35 35 ? A -14.558 -0.023 9.403 1.000 1 A 85.420 1
ATOM 552 H HD2 . ARG 35 35 ? A -13.263 -2.063 9.154 1.000 1 A 85.420 1
ATOM 553 H HD3 . ARG 35 35 ? A -13.956 -2.737 10.637 1.000 1 A 85.420 1
ATOM 554 H HE . ARG 35 35 ? A -15.804 -2.056 8.428 1.000 1 A 85.420 1
ATOM 555 H HH11 . ARG 35 35 ? A -15.269 -5.865 9.602 1.000 1 A 85.420 1
ATOM 556 H HH12 . ARG 35 35 ? A -14.179 -4.609 10.161 1.000 1 A 85.420 1
ATOM 557 H HH21 . ARG 35 35 ? A -16.933 -5.326 8.223 1.000 1 A 85.420 1
ATOM 558 H HH22 . ARG 35 35 ? A -17.182 -3.664 7.732 1.000 1 A 85.420 1
ATOM 559 N N . LEU 36 36 ? A -12.624 1.169 14.038 1.000 1 A 85.400 1
ATOM 560 C CA . LEU 36 36 ? A -12.370 1.035 15.468 1.000 1 A 85.400 1
ATOM 561 C C . LEU 36 36 ? A -13.198 2.066 16.242 1.000 1 A 85.400 1
ATOM 562 O O . LEU 36 36 ? A -13.922 1.694 17.162 1.000 1 A 85.400 1
ATOM 563 C CB . LEU 36 36 ? A -10.863 1.180 15.747 1.000 1 A 85.400 1
ATOM 564 C CG . LEU 36 36 ? A -10.445 0.407 17.012 1.000 1 A 85.400 1
ATOM 565 C CD1 . LEU 36 36 ? A -9.892 -0.971 16.634 1.000 1 A 85.400 1
ATOM 566 C CD2 . LEU 36 36 ? A -9.375 1.159 17.797 1.000 1 A 85.400 1
ATOM 567 H H . LEU 36 36 ? A -11.895 1.554 13.455 1.000 1 A 85.400 1
ATOM 568 H HA . LEU 36 36 ? A -12.696 0.043 15.780 1.000 1 A 85.400 1
ATOM 569 H HB2 . LEU 36 36 ? A -10.285 0.811 14.900 1.000 1 A 85.400 1
ATOM 570 H HB3 . LEU 36 36 ? A -10.627 2.239 15.857 1.000 1 A 85.400 1
ATOM 571 H HG . LEU 36 36 ? A -11.305 0.273 17.668 1.000 1 A 85.400 1
ATOM 572 H HD11 . LEU 36 36 ? A -9.645 -1.525 17.539 1.000 1 A 85.400 1
ATOM 573 H HD12 . LEU 36 36 ? A -10.647 -1.523 16.073 1.000 1 A 85.400 1
ATOM 574 H HD13 . LEU 36 36 ? A -8.997 -0.858 16.022 1.000 1 A 85.400 1
ATOM 575 H HD21 . LEU 36 36 ? A -9.772 2.122 18.118 1.000 1 A 85.400 1
ATOM 576 H HD22 . LEU 36 36 ? A -8.500 1.330 17.170 1.000 1 A 85.400 1
ATOM 577 H HD23 . LEU 36 36 ? A -9.088 0.588 18.680 1.000 1 A 85.400 1
ATOM 578 N N . ASP 37 37 ? A -13.169 3.324 15.801 1.000 1 A 82.520 1
ATOM 579 C CA . ASP 37 37 ? A -13.914 4.427 16.417 1.000 1 A 82.520 1
ATOM 580 C C . ASP 37 37 ? A -15.433 4.196 16.358 1.000 1 A 82.520 1
ATOM 581 O O . ASP 37 37 ? A -16.145 4.323 17.360 1.000 1 A 82.520 1
ATOM 582 C CB . ASP 37 37 ? A -13.505 5.730 15.713 1.000 1 A 82.520 1
ATOM 583 C CG . ASP 37 37 ? A -13.979 6.966 16.481 1.000 1 A 82.520 1
ATOM 584 O OD1 . ASP 37 37 ? A -13.790 6.976 17.718 1.000 1 A 82.520 1
ATOM 585 O OD2 . ASP 37 37 ? A -14.519 7.883 15.826 1.000 1 A 82.520 1
ATOM 586 H H . ASP 37 37 ? A -12.546 3.560 15.041 1.000 1 A 82.520 1
ATOM 587 H HA . ASP 37 37 ? A -13.629 4.497 17.467 1.000 1 A 82.520 1
ATOM 588 H HB2 . ASP 37 37 ? A -12.418 5.772 15.649 1.000 1 A 82.520 1
ATOM 589 H HB3 . ASP 37 37 ? A -13.905 5.740 14.699 1.000 1 A 82.520 1
ATOM 590 N N . SER 38 38 ? A -15.931 3.713 15.214 1.000 1 A 77.930 1
ATOM 591 C CA . SER 38 38 ? A -17.345 3.355 15.059 1.000 1 A 77.930 1
ATOM 592 C C . SER 38 38 ? A -17.781 2.171 15.931 1.000 1 A 77.930 1
ATOM 593 O O . SER 38 38 ? A -18.952 2.104 16.293 1.000 1 A 77.930 1
ATOM 594 C CB . SER 38 38 ? A -17.647 3.038 13.595 1.000 1 A 77.930 1
ATOM 595 O OG . SER 38 38 ? A -19.024 2.740 13.433 1.000 1 A 77.930 1
ATOM 596 H H . SER 38 38 ? A -15.322 3.682 14.409 1.000 1 A 77.930 1
ATOM 597 H HA . SER 38 38 ? A -17.946 4.217 15.350 1.000 1 A 77.930 1
ATOM 598 H HB2 . SER 38 38 ? A -17.386 3.897 12.976 1.000 1 A 77.930 1
ATOM 599 H HB3 . SER 38 38 ? A -17.051 2.182 13.280 1.000 1 A 77.930 1
ATOM 600 H HG . SER 38 38 ? A -19.404 2.628 14.308 1.000 1 A 77.930 1
ATOM 601 N N . ASN 39 39 ? A -16.895 1.219 16.246 1.000 1 A 76.070 1
ATOM 602 C CA . ASN 39 39 ? A -17.241 0.102 17.135 1.000 1 A 76.070 1
ATOM 603 C C . ASN 39 39 ? A -17.167 0.494 18.613 1.000 1 A 76.070 1
ATOM 604 O O . ASN 39 39 ? A -17.943 -0.028 19.405 1.000 1 A 76.070 1
ATOM 605 C CB . ASN 39 39 ? A -16.348 -1.115 16.851 1.000 1 A 76.070 1
ATOM 606 C CG . ASN 39 39 ? A -16.870 -1.959 15.707 1.000 1 A 76.070 1
ATOM 607 O OD1 . ASN 39 39 ? A -17.948 -2.524 15.734 1.000 1 A 76.070 1
ATOM 608 N ND2 . ASN 39 39 ? A -16.120 -2.082 14.643 1.000 1 A 76.070 1
ATOM 609 H H . ASN 39 39 ? A -15.935 1.337 15.954 1.000 1 A 76.070 1
ATOM 610 H HA . ASN 39 39 ? A -18.276 -0.188 16.960 1.000 1 A 76.070 1
ATOM 611 H HB2 . ASN 39 39 ? A -15.324 -0.793 16.662 1.000 1 A 76.070 1
ATOM 612 H HB3 . ASN 39 39 ? A -16.342 -1.758 17.730 1.000 1 A 76.070 1
ATOM 613 H HD21 . ASN 39 39 ? A -15.394 -1.389 14.527 1.000 1 A 76.070 1
ATOM 614 H HD22 . ASN 39 39 ? A -16.567 -2.547 13.866 1.000 1 A 76.070 1
ATOM 615 N N . ILE 40 40 ? A -16.266 1.406 18.989 1.000 1 A 65.660 1
ATOM 616 C CA . ILE 40 40 ? A -16.152 1.898 20.370 1.000 1 A 65.660 1
ATOM 617 C C . ILE 40 40 ? A -17.359 2.766 20.744 1.000 1 A 65.660 1
ATOM 618 O O . ILE 40 40 ? A -17.857 2.660 21.857 1.000 1 A 65.660 1
ATOM 619 C CB . ILE 40 40 ? A -14.806 2.636 20.559 1.000 1 A 65.660 1
ATOM 620 C CG1 . ILE 40 40 ? A -13.641 1.619 20.493 1.000 1 A 65.660 1
ATOM 621 C CG2 . ILE 40 40 ? A -14.756 3.389 21.903 1.000 1 A 65.660 1
ATOM 622 C CD1 . ILE 40 40 ? A -12.256 2.263 20.363 1.000 1 A 65.660 1
ATOM 623 H H . ILE 40 40 ? A -15.630 1.776 18.297 1.000 1 A 65.660 1
ATOM 624 H HA . ILE 40 40 ? A -16.170 1.046 21.049 1.000 1 A 65.660 1
ATOM 625 H HB . ILE 40 40 ? A -14.692 3.362 19.754 1.000 1 A 65.660 1
ATOM 626 H HG12 . ILE 40 40 ? A -13.773 0.962 19.632 1.000 1 A 65.660 1
ATOM 627 H HG13 . ILE 40 40 ? A -13.658 0.992 21.384 1.000 1 A 65.660 1
ATOM 628 H HG21 . ILE 40 40 ? A -15.513 4.173 21.927 1.000 1 A 65.660 1
ATOM 629 H HG22 . ILE 40 40 ? A -13.791 3.880 22.033 1.000 1 A 65.660 1
ATOM 630 H HG23 . ILE 40 40 ? A -14.932 2.700 22.728 1.000 1 A 65.660 1
ATOM 631 H HD11 . ILE 40 40 ? A -12.240 2.942 19.510 1.000 1 A 65.660 1
ATOM 632 H HD12 . ILE 40 40 ? A -11.996 2.810 21.270 1.000 1 A 65.660 1
ATOM 633 H HD13 . ILE 40 40 ? A -11.511 1.483 20.206 1.000 1 A 65.660 1
ATOM 634 N N . THR 41 41 ? A -17.864 3.586 19.820 1.000 1 A 62.380 1
ATOM 635 C CA . THR 41 41 ? A -19.051 4.436 20.046 1.000 1 A 62.380 1
ATOM 636 C C . THR 41 41 ? A -20.385 3.683 20.006 1.000 1 A 62.380 1
ATOM 637 O O . THR 41 41 ? A -21.401 4.225 20.437 1.000 1 A 62.380 1
ATOM 638 C CB . THR 41 41 ? A -19.094 5.596 19.039 1.000 1 A 62.380 1
ATOM 639 O OG1 . THR 41 41 ? A -18.794 5.156 17.732 1.000 1 A 62.380 1
ATOM 640 C CG2 . THR 41 41 ? A -18.091 6.692 19.386 1.000 1 A 62.380 1
ATOM 641 H H . THR 41 41 ? A -17.388 3.662 18.932 1.000 1 A 62.380 1
ATOM 642 H HA . THR 41 41 ? A -18.987 4.863 21.047 1.000 1 A 62.380 1
ATOM 643 H HB . THR 41 41 ? A -20.091 6.038 19.041 1.000 1 A 62.380 1
ATOM 644 H HG1 . THR 41 41 ? A -17.839 5.108 17.650 1.000 1 A 62.380 1
ATOM 645 H HG21 . THR 41 41 ? A -18.153 7.491 18.648 1.000 1 A 62.380 1
ATOM 646 H HG22 . THR 41 41 ? A -18.319 7.098 20.372 1.000 1 A 62.380 1
ATOM 647 H HG23 . THR 41 41 ? A -17.078 6.291 19.389 1.000 1 A 62.380 1
ATOM 648 N N . ALA 42 42 ? A -20.402 2.449 19.495 1.000 1 A 58.330 1
ATOM 649 C CA . ALA 42 42 ? A -21.596 1.607 19.434 1.000 1 A 58.330 1
ATOM 650 C C . ALA 42 42 ? A -21.850 0.781 20.715 1.000 1 A 58.330 1
ATOM 651 O O . ALA 42 42 ? A -22.900 0.141 20.808 1.000 1 A 58.330 1
ATOM 652 C CB . ALA 42 42 ? A -21.488 0.718 18.188 1.000 1 A 58.330 1
ATOM 653 H H . ALA 42 42 ? A -19.532 2.064 19.155 1.000 1 A 58.330 1
ATOM 654 H HA . ALA 42 42 ? A -22.466 2.251 19.309 1.000 1 A 58.330 1
ATOM 655 H HB1 . ALA 42 42 ? A -22.391 0.116 18.089 1.000 1 A 58.330 1
ATOM 656 H HB2 . ALA 42 42 ? A -21.375 1.340 17.299 1.000 1 A 58.330 1
ATOM 657 H HB3 . ALA 42 42 ? A -20.626 0.057 18.280 1.000 1 A 58.330 1
ATOM 658 N N . VAL 43 43 ? A -20.906 0.776 21.667 1.000 1 A 52.100 1
ATOM 659 C CA . VAL 43 43 ? A -20.999 0.107 22.983 1.000 1 A 52.100 1
ATOM 660 C C . VAL 43 43 ? A -21.391 1.114 24.055 1.000 1 A 52.100 1
ATOM 661 O O . VAL 43 43 ? A -22.285 0.772 24.861 1.000 1 A 52.100 1
ATOM 662 C CB . VAL 43 43 ? A -19.670 -0.582 23.338 1.000 1 A 52.100 1
ATOM 663 C CG1 . VAL 43 43 ? A -19.734 -1.264 24.711 1.000 1 A 52.100 1
ATOM 664 C CG2 . VAL 43 43 ? A -19.321 -1.666 22.309 1.000 1 A 52.100 1
ATOM 665 O OXT . VAL 43 43 ? A -20.755 2.187 24.074 1.000 1 A 52.100 1
ATOM 666 H H . VAL 43 43 ? A -20.133 1.417 21.561 1.000 1 A 52.100 1
ATOM 667 H HA . VAL 43 43 ? A -21.796 -0.636 22.967 1.000 1 A 52.100 1
ATOM 668 H HB . VAL 43 43 ? A -18.874 0.163 23.351 1.000 1 A 52.100 1
ATOM 669 H HG11 . VAL 43 43 ? A -18.803 -1.796 24.910 1.000 1 A 52.100 1
ATOM 670 H HG12 . VAL 43 43 ? A -20.575 -1.957 24.739 1.000 1 A 52.100 1
ATOM 671 H HG13 . VAL 43 43 ? A -19.873 -0.510 25.487 1.000 1 A 52.100 1
ATOM 672 H HG21 . VAL 43 43 ? A -20.119 -2.408 22.271 1.000 1 A 52.100 1
ATOM 673 H HG22 . VAL 43 43 ? A -18.378 -2.143 22.576 1.000 1 A 52.100 1
ATOM 674 H HG23 . VAL 43 43 ? A -19.209 -1.216 21.323 1.000 1 A 52.100 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 77.357

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 58.200
2 1 A 2 ILE 2 68.980
3 1 A 3 HIS 2 60.500
4 1 A 4 TYR 2 66.230
5 1 A 5 PHE 2 65.430
6 1 A 6 LEU 2 64.950
7 1 A 7 GLN 2 64.900
8 1 A 8 LEU 2 64.500
9 1 A 9 LEU 2 63.590
10 1 A 10 GLY 2 63.870
11 1 A 11 GLY 2 63.310
12 1 A 12 GLY 2 63.790
13 1 A 13 GLY 2 65.350
14 1 A 14 GLY 2 70.350
15 1 A 15 SER 2 76.120
16 1 A 16 LEU 2 80.730
17 1 A 17 ILE 2 85.420
18 1 A 18 ALA 2 86.330
19 1 A 19 LEU 2 88.710
20 1 A 20 ALA 2 89.050
21 1 A 21 LEU 2 91.880
22 1 A 22 LEU 2 93.470
23 1 A 23 TRP 2 93.460
24 1 A 24 PHE 2 92.520
25 1 A 25 ALA 2 92.450
26 1 A 26 ASP 2 93.300
27 1 A 27 TYR 2 91.650
28 1 A 28 TYR 2 88.500
29 1 A 29 VAL 2 91.190
30 1 A 30 GLU 2 88.950
31 1 A 31 PHE 2 88.600
32 1 A 32 ILE 2 88.160
33 1 A 33 GLU 2 89.140
34 1 A 34 ALA 2 86.940
35 1 A 35 ARG 2 85.420
36 1 A 36 LEU 2 85.400
37 1 A 37 ASP 2 82.520
38 1 A 38 SER 2 77.930
39 1 A 39 ASN 2 76.070
40 1 A 40 ILE 2 65.660
41 1 A 41 THR 2 62.380
42 1 A 42 ALA 2 58.330
43 1 A 43 VAL 2 52.100

_database_2.database_id ModelArchive
_database_2.database_code ma-asfv-asfvg-021
_database_2.pdbx_DOI 10.5452/ma-asfv-asfvg-021

_pdbx_database_status.entry_id ma-asfv-asfvg-021
_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'