data_ma-asfv-asfvg-020
_entry.id ma-asfv-asfvg-020
_entry.ma_collection_id ma-asfv-asfvg

_struct.entry_id ma-asfv-asfvg-020
_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 00330'

_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
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'
CYS 'L-peptide linking' CYSTEINE 'C3 H7 N O2 S' 121.154 'CCD Core'
GLN 'L-peptide linking' GLUTAMINE 'C5 H10 N2 O3' 146.146 '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'
LYS 'L-peptide linking' LYSINE 'C6 H15 N2 O2 1' 147.198 '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'
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 00330 protein' 5055.895 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 . A0A2X0RTQ4_ASF A0A2X0RTQ4 . 1 37 10497 'African swine fever virus (ASFV)' 2018-09-12 ACAD92CC24A13F0D
1 NCBI . CAD2068369.1 1886136894 . 1 37 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 MLKCLKIIVHQCCKFDQNLISHKKGTHQHCSFKFHDV MLKCLKIIVHQCCKFDQNLISHKKGTHQHCSFKFHDV

loop_
_entity_poly_seq.entity_id
_entity_poly_seq.num
_entity_poly_seq.mon_id
_entity_poly_seq.hetero
1 1 MET .
1 2 LEU .
1 3 LYS .
1 4 CYS .
1 5 LEU .
1 6 LYS .
1 7 ILE .
1 8 ILE .
1 9 VAL .
1 10 HIS .
1 11 GLN .
1 12 CYS .
1 13 CYS .
1 14 LYS .
1 15 PHE .
1 16 ASP .
1 17 GLN .
1 18 ASN .
1 19 LEU .
1 20 ILE .
1 21 SER .
1 22 HIS .
1 23 LYS .
1 24 LYS .
1 25 GLY .
1 26 THR .
1 27 HIS .
1 28 GLN .
1 29 HIS .
1 30 CYS .
1 31 SER .
1 32 PHE .
1 33 LYS .
1 34 PHE .
1 35 HIS .
1 36 ASP .
1 37 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 LEU 2 2 LEU LEU A .
A 1 3 LYS 3 3 LYS LYS A .
A 1 4 CYS 4 4 CYS CYS A .
A 1 5 LEU 5 5 LEU LEU A .
A 1 6 LYS 6 6 LYS LYS A .
A 1 7 ILE 7 7 ILE ILE A .
A 1 8 ILE 8 8 ILE ILE A .
A 1 9 VAL 9 9 VAL VAL A .
A 1 10 HIS 10 10 HIS HIS A .
A 1 11 GLN 11 11 GLN GLN A .
A 1 12 CYS 12 12 CYS CYS A .
A 1 13 CYS 13 13 CYS CYS A .
A 1 14 LYS 14 14 LYS LYS A .
A 1 15 PHE 15 15 PHE PHE A .
A 1 16 ASP 16 16 ASP ASP A .
A 1 17 GLN 17 17 GLN GLN A .
A 1 18 ASN 18 18 ASN ASN A .
A 1 19 LEU 19 19 LEU LEU A .
A 1 20 ILE 20 20 ILE ILE A .
A 1 21 SER 21 21 SER SER A .
A 1 22 HIS 22 22 HIS HIS A .
A 1 23 LYS 23 23 LYS LYS A .
A 1 24 LYS 24 24 LYS LYS A .
A 1 25 GLY 25 25 GLY GLY A .
A 1 26 THR 26 26 THR THR A .
A 1 27 HIS 27 27 HIS HIS A .
A 1 28 GLN 28 28 GLN GLN A .
A 1 29 HIS 29 29 HIS HIS A .
A 1 30 CYS 30 30 CYS CYS A .
A 1 31 SER 31 31 SER SER A .
A 1 32 PHE 32 32 PHE PHE A .
A 1 33 LYS 33 33 LYS LYS A .
A 1 34 PHE 34 34 PHE PHE A .
A 1 35 HIS 35 35 HIS HIS A .
A 1 36 ASP 36 36 ASP ASP A .
A 1 37 VAL 37 37 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 00330 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 6.789 6.096 -24.676 1.000 1 A 43.310 1
ATOM 2 C CA . MET 1 1 ? A 6.758 5.051 -23.627 1.000 1 A 43.310 1
ATOM 3 C C . MET 1 1 ? A 5.874 5.467 -22.433 1.000 1 A 43.310 1
ATOM 4 O O . MET 1 1 ? A 6.319 5.444 -21.300 1.000 1 A 43.310 1
ATOM 5 C CB . MET 1 1 ? A 8.196 4.739 -23.174 1.000 1 A 43.310 1
ATOM 6 C CG . MET 1 1 ? A 9.090 4.190 -24.290 1.000 1 A 43.310 1
ATOM 7 S SD . MET 1 1 ? A 10.683 3.653 -23.636 1.000 1 A 43.310 1
ATOM 8 C CE . MET 1 1 ? A 11.565 3.203 -25.154 1.000 1 A 43.310 1
ATOM 9 H H . MET 1 1 ? A 7.180 6.946 -24.294 1.000 1 A 43.310 1
ATOM 10 H H2 . MET 1 1 ? A 7.388 5.804 -25.435 1.000 1 A 43.310 1
ATOM 11 H HA . MET 1 1 ? A 6.342 4.133 -24.041 1.000 1 A 43.310 1
ATOM 12 H HB2 . MET 1 1 ? A 8.156 3.987 -22.386 1.000 1 A 43.310 1
ATOM 13 H HB3 . MET 1 1 ? A 8.655 5.639 -22.764 1.000 1 A 43.310 1
ATOM 14 H HG2 . MET 1 1 ? A 9.264 4.963 -25.039 1.000 1 A 43.310 1
ATOM 15 H HG3 . MET 1 1 ? A 8.604 3.336 -24.761 1.000 1 A 43.310 1
ATOM 16 H HE1 . MET 1 1 ? A 12.572 2.873 -24.898 1.000 1 A 43.310 1
ATOM 17 H HE2 . MET 1 1 ? A 11.636 4.068 -25.814 1.000 1 A 43.310 1
ATOM 18 H HE3 . MET 1 1 ? A 11.044 2.392 -25.662 1.000 1 A 43.310 1
ATOM 19 H H3 . MET 1 1 ? A 5.869 6.293 -25.041 1.000 1 A 43.310 1
ATOM 20 N N . LEU 2 2 ? A 4.598 5.833 -22.653 1.000 1 A 45.230 1
ATOM 21 C CA . LEU 2 2 ? A 3.722 6.384 -21.592 1.000 1 A 45.230 1
ATOM 22 C C . LEU 2 2 ? A 2.856 5.343 -20.847 1.000 1 A 45.230 1
ATOM 23 O O . LEU 2 2 ? A 2.093 5.698 -19.951 1.000 1 A 45.230 1
ATOM 24 C CB . LEU 2 2 ? A 2.836 7.513 -22.175 1.000 1 A 45.230 1
ATOM 25 C CG . LEU 2 2 ? A 3.195 8.919 -21.644 1.000 1 A 45.230 1
ATOM 26 C CD1 . LEU 2 2 ? A 4.155 9.623 -22.603 1.000 1 A 45.230 1
ATOM 27 C CD2 . LEU 2 2 ? A 1.936 9.770 -21.493 1.000 1 A 45.230 1
ATOM 28 H H . LEU 2 2 ? A 4.218 5.833 -23.588 1.000 1 A 45.230 1
ATOM 29 H HA . LEU 2 2 ? A 4.356 6.819 -20.819 1.000 1 A 45.230 1
ATOM 30 H HB2 . LEU 2 2 ? A 1.798 7.310 -21.912 1.000 1 A 45.230 1
ATOM 31 H HB3 . LEU 2 2 ? A 2.869 7.512 -23.265 1.000 1 A 45.230 1
ATOM 32 H HG . LEU 2 2 ? A 3.660 8.842 -20.662 1.000 1 A 45.230 1
ATOM 33 H HD11 . LEU 2 2 ? A 5.081 9.053 -22.690 1.000 1 A 45.230 1
ATOM 34 H HD12 . LEU 2 2 ? A 3.696 9.755 -23.582 1.000 1 A 45.230 1
ATOM 35 H HD13 . LEU 2 2 ? A 4.403 10.606 -22.203 1.000 1 A 45.230 1
ATOM 36 H HD21 . LEU 2 2 ? A 1.264 9.313 -20.766 1.000 1 A 45.230 1
ATOM 37 H HD22 . LEU 2 2 ? A 1.429 9.877 -22.452 1.000 1 A 45.230 1
ATOM 38 H HD23 . LEU 2 2 ? A 2.210 10.759 -21.127 1.000 1 A 45.230 1
ATOM 39 N N . LYS 3 3 ? A 2.928 4.060 -21.228 1.000 1 A 43.880 1
ATOM 40 C CA . LYS 3 3 ? A 2.088 3.002 -20.637 1.000 1 A 43.880 1
ATOM 41 C C . LYS 3 3 ? A 2.671 2.439 -19.333 1.000 1 A 43.880 1
ATOM 42 O O . LYS 3 3 ? A 1.895 2.124 -18.439 1.000 1 A 43.880 1
ATOM 43 C CB . LYS 3 3 ? A 1.763 1.916 -21.680 1.000 1 A 43.880 1
ATOM 44 C CG . LYS 3 3 ? A 0.789 2.422 -22.766 1.000 1 A 43.880 1
ATOM 45 C CD . LYS 3 3 ? A 0.456 1.327 -23.796 1.000 1 A 43.880 1
ATOM 46 C CE . LYS 3 3 ? A -0.523 1.839 -24.868 1.000 1 A 43.880 1
ATOM 47 N NZ . LYS 3 3 ? A -0.824 0.803 -25.895 1.000 1 A 43.880 1
ATOM 48 H H . LYS 3 3 ? A 3.590 3.814 -21.949 1.000 1 A 43.880 1
ATOM 49 H HA . LYS 3 3 ? A 1.140 3.442 -20.329 1.000 1 A 43.880 1
ATOM 50 H HB2 . LYS 3 3 ? A 2.687 1.566 -22.143 1.000 1 A 43.880 1
ATOM 51 H HB3 . LYS 3 3 ? A 1.300 1.072 -21.169 1.000 1 A 43.880 1
ATOM 52 H HG2 . LYS 3 3 ? A -0.135 2.749 -22.288 1.000 1 A 43.880 1
ATOM 53 H HG3 . LYS 3 3 ? A 1.232 3.272 -23.284 1.000 1 A 43.880 1
ATOM 54 H HD2 . LYS 3 3 ? A 0.014 0.475 -23.278 1.000 1 A 43.880 1
ATOM 55 H HD3 . LYS 3 3 ? A 1.380 1.001 -24.274 1.000 1 A 43.880 1
ATOM 56 H HE2 . LYS 3 3 ? A -0.092 2.718 -25.346 1.000 1 A 43.880 1
ATOM 57 H HE3 . LYS 3 3 ? A -1.445 2.148 -24.375 1.000 1 A 43.880 1
ATOM 58 H HZ1 . LYS 3 3 ? A -1.232 -0.019 -25.473 1.000 1 A 43.880 1
ATOM 59 H HZ2 . LYS 3 3 ? A -1.481 1.151 -26.579 1.000 1 A 43.880 1
ATOM 60 H HZ3 . LYS 3 3 ? A 0.010 0.518 -26.387 1.000 1 A 43.880 1
ATOM 61 N N . CYS 4 4 ? A 3.999 2.400 -19.174 1.000 1 A 40.510 1
ATOM 62 C CA . CYS 4 4 ? A 4.635 1.906 -17.944 1.000 1 A 40.510 1
ATOM 63 C C . CYS 4 4 ? A 4.406 2.832 -16.738 1.000 1 A 40.510 1
ATOM 64 O O . CYS 4 4 ? A 4.167 2.343 -15.639 1.000 1 A 40.510 1
ATOM 65 C CB . CYS 4 4 ? A 6.131 1.658 -18.190 1.000 1 A 40.510 1
ATOM 66 S SG . CYS 4 4 ? A 6.329 0.320 -19.402 1.000 1 A 40.510 1
ATOM 67 H H . CYS 4 4 ? A 4.601 2.638 -19.949 1.000 1 A 40.510 1
ATOM 68 H HA . CYS 4 4 ? A 4.187 0.949 -17.678 1.000 1 A 40.510 1
ATOM 69 H HB2 . CYS 4 4 ? A 6.595 1.348 -17.254 1.000 1 A 40.510 1
ATOM 70 H HB3 . CYS 4 4 ? A 6.629 2.564 -18.537 1.000 1 A 40.510 1
ATOM 71 H HG . CYS 4 4 ? A 7.634 0.107 -19.207 1.000 1 A 40.510 1
ATOM 72 N N . LEU 5 5 ? A 4.372 4.157 -16.945 1.000 1 A 43.840 1
ATOM 73 C CA . LEU 5 5 ? A 4.169 5.126 -15.860 1.000 1 A 43.840 1
ATOM 74 C C . LEU 5 5 ? A 2.789 4.975 -15.192 1.000 1 A 43.840 1
ATOM 75 O O . LEU 5 5 ? A 2.679 5.016 -13.970 1.000 1 A 43.840 1
ATOM 76 C CB . LEU 5 5 ? A 4.380 6.547 -16.421 1.000 1 A 43.840 1
ATOM 77 C CG . LEU 5 5 ? A 4.524 7.630 -15.332 1.000 1 A 43.840 1
ATOM 78 C CD1 . LEU 5 5 ? A 5.860 7.517 -14.595 1.000 1 A 43.840 1
ATOM 79 C CD2 . LEU 5 5 ? A 4.445 9.014 -15.974 1.000 1 A 43.840 1
ATOM 80 H H . LEU 5 5 ? A 4.616 4.513 -17.858 1.000 1 A 43.840 1
ATOM 81 H HA . LEU 5 5 ? A 4.919 4.931 -15.094 1.000 1 A 43.840 1
ATOM 82 H HB2 . LEU 5 5 ? A 3.535 6.797 -17.062 1.000 1 A 43.840 1
ATOM 83 H HB3 . LEU 5 5 ? A 5.281 6.562 -17.035 1.000 1 A 43.840 1
ATOM 84 H HG . LEU 5 5 ? A 3.708 7.541 -14.616 1.000 1 A 43.840 1
ATOM 85 H HD11 . LEU 5 5 ? A 5.925 6.575 -14.052 1.000 1 A 43.840 1
ATOM 86 H HD12 . LEU 5 5 ? A 6.693 7.593 -15.294 1.000 1 A 43.840 1
ATOM 87 H HD13 . LEU 5 5 ? A 5.947 8.325 -13.868 1.000 1 A 43.840 1
ATOM 88 H HD21 . LEU 5 5 ? A 5.253 9.141 -16.695 1.000 1 A 43.840 1
ATOM 89 H HD22 . LEU 5 5 ? A 3.484 9.148 -16.470 1.000 1 A 43.840 1
ATOM 90 H HD23 . LEU 5 5 ? A 4.547 9.778 -15.204 1.000 1 A 43.840 1
ATOM 91 N N . LYS 6 6 ? A 1.734 4.717 -15.980 1.000 1 A 46.200 1
ATOM 92 C CA . LYS 6 6 ? A 0.384 4.480 -15.440 1.000 1 A 46.200 1
ATOM 93 C C . LYS 6 6 ? A 0.291 3.188 -14.628 1.000 1 A 46.200 1
ATOM 94 O O . LYS 6 6 ? A -0.471 3.153 -13.669 1.000 1 A 46.200 1
ATOM 95 C CB . LYS 6 6 ? A -0.671 4.485 -16.559 1.000 1 A 46.200 1
ATOM 96 C CG . LYS 6 6 ? A -1.036 5.910 -17.001 1.000 1 A 46.200 1
ATOM 97 C CD . LYS 6 6 ? A -2.203 5.906 -18.000 1.000 1 A 46.200 1
ATOM 98 C CE . LYS 6 6 ? A -2.614 7.352 -18.317 1.000 1 A 46.200 1
ATOM 99 N NZ . LYS 6 6 ? A -3.753 7.425 -19.268 1.000 1 A 46.200 1
ATOM 100 H H . LYS 6 6 ? A 1.889 4.669 -16.977 1.000 1 A 46.200 1
ATOM 101 H HA . LYS 6 6 ? A 0.151 5.272 -14.729 1.000 1 A 46.200 1
ATOM 102 H HB2 . LYS 6 6 ? A -1.576 4.012 -16.178 1.000 1 A 46.200 1
ATOM 103 H HB3 . LYS 6 6 ? A -0.316 3.904 -17.410 1.000 1 A 46.200 1
ATOM 104 H HG2 . LYS 6 6 ? A -0.166 6.380 -17.461 1.000 1 A 46.200 1
ATOM 105 H HG3 . LYS 6 6 ? A -1.324 6.490 -16.124 1.000 1 A 46.200 1
ATOM 106 H HD2 . LYS 6 6 ? A -1.891 5.397 -18.913 1.000 1 A 46.200 1
ATOM 107 H HD3 . LYS 6 6 ? A -3.049 5.376 -17.562 1.000 1 A 46.200 1
ATOM 108 H HE2 . LYS 6 6 ? A -1.749 7.876 -18.725 1.000 1 A 46.200 1
ATOM 109 H HE3 . LYS 6 6 ? A -2.880 7.845 -17.382 1.000 1 A 46.200 1
ATOM 110 H HZ1 . LYS 6 6 ? A -3.522 6.991 -20.150 1.000 1 A 46.200 1
ATOM 111 H HZ2 . LYS 6 6 ? A -3.994 8.391 -19.443 1.000 1 A 46.200 1
ATOM 112 H HZ3 . LYS 6 6 ? A -4.570 6.975 -18.880 1.000 1 A 46.200 1
ATOM 113 N N . ILE 7 7 ? A 1.042 2.146 -14.996 1.000 1 A 52.230 1
ATOM 114 C CA . ILE 7 7 ? A 1.000 0.848 -14.305 1.000 1 A 52.230 1
ATOM 115 C C . ILE 7 7 ? A 1.610 0.969 -12.905 1.000 1 A 52.230 1
ATOM 116 O O . ILE 7 7 ? A 0.994 0.510 -11.947 1.000 1 A 52.230 1
ATOM 117 C CB . ILE 7 7 ? A 1.667 -0.258 -15.159 1.000 1 A 52.230 1
ATOM 118 C CG1 . ILE 7 7 ? A 0.864 -0.477 -16.465 1.000 1 A 52.230 1
ATOM 119 C CG2 . ILE 7 7 ? A 1.753 -1.583 -14.378 1.000 1 A 52.230 1
ATOM 120 C CD1 . ILE 7 7 ? A 1.599 -1.316 -17.518 1.000 1 A 52.230 1
ATOM 121 H H . ILE 7 7 ? A 1.685 2.262 -15.767 1.000 1 A 52.230 1
ATOM 122 H HA . ILE 7 7 ? A -0.043 0.567 -14.160 1.000 1 A 52.230 1
ATOM 123 H HB . ILE 7 7 ? A 2.678 0.060 -15.412 1.000 1 A 52.230 1
ATOM 124 H HG12 . ILE 7 7 ? A 0.636 0.485 -16.924 1.000 1 A 52.230 1
ATOM 125 H HG13 . ILE 7 7 ? A -0.086 -0.956 -16.230 1.000 1 A 52.230 1
ATOM 126 H HG21 . ILE 7 7 ? A 2.219 -2.359 -14.985 1.000 1 A 52.230 1
ATOM 127 H HG22 . ILE 7 7 ? A 0.760 -1.912 -14.074 1.000 1 A 52.230 1
ATOM 128 H HG23 . ILE 7 7 ? A 2.372 -1.466 -13.488 1.000 1 A 52.230 1
ATOM 129 H HD11 . ILE 7 7 ? A 2.578 -0.882 -17.723 1.000 1 A 52.230 1
ATOM 130 H HD12 . ILE 7 7 ? A 1.721 -2.344 -17.175 1.000 1 A 52.230 1
ATOM 131 H HD13 . ILE 7 7 ? A 1.017 -1.326 -18.440 1.000 1 A 52.230 1
ATOM 132 N N . ILE 8 8 ? A 2.752 1.655 -12.768 1.000 1 A 53.910 1
ATOM 133 C CA . ILE 8 8 ? A 3.429 1.838 -11.472 1.000 1 A 53.910 1
ATOM 134 C C . ILE 8 8 ? A 2.548 2.649 -10.510 1.000 1 A 53.910 1
ATOM 135 O O . ILE 8 8 ? A 2.340 2.242 -9.367 1.000 1 A 53.910 1
ATOM 136 C CB . ILE 8 8 ? A 4.822 2.481 -11.677 1.000 1 A 53.910 1
ATOM 137 C CG1 . ILE 8 8 ? A 5.722 1.551 -12.528 1.000 1 A 53.910 1
ATOM 138 C CG2 . ILE 8 8 ? A 5.493 2.770 -10.321 1.000 1 A 53.910 1
ATOM 139 C CD1 . ILE 8 8 ? A 7.049 2.184 -12.967 1.000 1 A 53.910 1
ATOM 140 H H . ILE 8 8 ? A 3.210 2.004 -13.598 1.000 1 A 53.910 1
ATOM 141 H HA . ILE 8 8 ? A 3.575 0.860 -11.014 1.000 1 A 53.910 1
ATOM 142 H HB . ILE 8 8 ? A 4.694 3.425 -12.207 1.000 1 A 53.910 1
ATOM 143 H HG12 . ILE 8 8 ? A 5.936 0.642 -11.965 1.000 1 A 53.910 1
ATOM 144 H HG13 . ILE 8 8 ? A 5.197 1.258 -13.437 1.000 1 A 53.910 1
ATOM 145 H HG21 . ILE 8 8 ? A 4.896 3.465 -9.730 1.000 1 A 53.910 1
ATOM 146 H HG22 . ILE 8 8 ? A 5.618 1.845 -9.757 1.000 1 A 53.910 1
ATOM 147 H HG23 . ILE 8 8 ? A 6.469 3.233 -10.464 1.000 1 A 53.910 1
ATOM 148 H HD11 . ILE 8 8 ? A 6.859 3.126 -13.480 1.000 1 A 53.910 1
ATOM 149 H HD12 . ILE 8 8 ? A 7.559 1.506 -13.652 1.000 1 A 53.910 1
ATOM 150 H HD13 . ILE 8 8 ? A 7.698 2.357 -12.109 1.000 1 A 53.910 1
ATOM 151 N N . VAL 9 9 ? A 1.948 3.745 -10.989 1.000 1 A 53.290 1
ATOM 152 C CA . VAL 9 9 ? A 1.044 4.577 -10.174 1.000 1 A 53.290 1
ATOM 153 C C . VAL 9 9 ? A -0.194 3.789 -9.739 1.000 1 A 53.290 1
ATOM 154 O O . VAL 9 9 ? A -0.587 3.847 -8.576 1.000 1 A 53.290 1
ATOM 155 C CB . VAL 9 9 ? A 0.661 5.866 -10.928 1.000 1 A 53.290 1
ATOM 156 C CG1 . VAL 9 9 ? A -0.366 6.712 -10.165 1.000 1 A 53.290 1
ATOM 157 C CG2 . VAL 9 9 ? A 1.898 6.747 -11.153 1.000 1 A 53.290 1
ATOM 158 H H . VAL 9 9 ? A 2.174 4.048 -11.925 1.000 1 A 53.290 1
ATOM 159 H HA . VAL 9 9 ? A 1.566 4.865 -9.261 1.000 1 A 53.290 1
ATOM 160 H HB . VAL 9 9 ? A 0.239 5.601 -11.898 1.000 1 A 53.290 1
ATOM 161 H HG11 . VAL 9 9 ? A -1.312 6.179 -10.075 1.000 1 A 53.290 1
ATOM 162 H HG12 . VAL 9 9 ? A -0.550 7.646 -10.694 1.000 1 A 53.290 1
ATOM 163 H HG13 . VAL 9 9 ? A 0.005 6.938 -9.165 1.000 1 A 53.290 1
ATOM 164 H HG21 . VAL 9 9 ? A 1.622 7.643 -11.709 1.000 1 A 53.290 1
ATOM 165 H HG22 . VAL 9 9 ? A 2.661 6.213 -11.718 1.000 1 A 53.290 1
ATOM 166 H HG23 . VAL 9 9 ? A 2.322 7.045 -10.194 1.000 1 A 53.290 1
ATOM 167 N N . HIS 10 10 ? A -0.784 2.989 -10.632 1.000 1 A 51.230 1
ATOM 168 C CA . HIS 10 10 ? A -1.960 2.186 -10.291 1.000 1 A 51.230 1
ATOM 169 C C . HIS 10 10 ? A -1.632 1.071 -9.282 1.000 1 A 51.230 1
ATOM 170 O O . HIS 10 10 ? A -2.481 0.715 -8.466 1.000 1 A 51.230 1
ATOM 171 C CB . HIS 10 10 ? A -2.577 1.633 -11.585 1.000 1 A 51.230 1
ATOM 172 C CG . HIS 10 10 ? A -4.071 1.458 -11.531 1.000 1 A 51.230 1
ATOM 173 N ND1 . HIS 10 10 ? A -4.985 2.108 -12.327 1.000 1 A 51.230 1
ATOM 174 C CD2 . HIS 10 10 ? A -4.778 0.638 -10.700 1.000 1 A 51.230 1
ATOM 175 C CE1 . HIS 10 10 ? A -6.214 1.687 -11.985 1.000 1 A 51.230 1
ATOM 176 N NE2 . HIS 10 10 ? A -6.136 0.767 -11.012 1.000 1 A 51.230 1
ATOM 177 H H . HIS 10 10 ? A -0.420 2.949 -11.573 1.000 1 A 51.230 1
ATOM 178 H HA . HIS 10 10 ? A -2.688 2.846 -9.820 1.000 1 A 51.230 1
ATOM 179 H HB2 . HIS 10 10 ? A -2.390 2.340 -12.394 1.000 1 A 51.230 1
ATOM 180 H HB3 . HIS 10 10 ? A -2.101 0.689 -11.849 1.000 1 A 51.230 1
ATOM 181 H HD1 . HIS 10 10 ? A -4.775 2.834 -12.998 1.000 1 A 51.230 1
ATOM 182 H HD2 . HIS 10 10 ? A -4.352 -0.007 -9.946 1.000 1 A 51.230 1
ATOM 183 H HE1 . HIS 10 10 ? A -7.138 2.041 -12.418 1.000 1 A 51.230 1
ATOM 184 N N . GLN 11 11 ? A -0.413 0.527 -9.308 1.000 1 A 50.440 1
ATOM 185 C CA . GLN 11 11 ? A 0.013 -0.530 -8.391 1.000 1 A 50.440 1
ATOM 186 C C . GLN 11 11 ? A 0.307 0.014 -6.986 1.000 1 A 50.440 1
ATOM 187 O O . GLN 11 11 ? A -0.153 -0.581 -6.014 1.000 1 A 50.440 1
ATOM 188 C CB . GLN 11 11 ? A 1.195 -1.281 -9.022 1.000 1 A 50.440 1
ATOM 189 C CG . GLN 11 11 ? A 1.259 -2.760 -8.617 1.000 1 A 50.440 1
ATOM 190 C CD . GLN 11 11 ? A 2.086 -3.555 -9.624 1.000 1 A 50.440 1
ATOM 191 O OE1 . GLN 11 11 ? A 3.163 -3.170 -10.036 1.000 1 A 50.440 1
ATOM 192 N NE2 . GLN 11 11 ? A 1.605 -4.683 -10.103 1.000 1 A 50.440 1
ATOM 193 H H . GLN 11 11 ? A 0.245 0.838 -10.008 1.000 1 A 50.440 1
ATOM 194 H HA . GLN 11 11 ? A -0.817 -1.229 -8.290 1.000 1 A 50.440 1
ATOM 195 H HB2 . GLN 11 11 ? A 1.070 -1.263 -10.105 1.000 1 A 50.440 1
ATOM 196 H HB3 . GLN 11 11 ? A 2.135 -0.783 -8.786 1.000 1 A 50.440 1
ATOM 197 H HG2 . GLN 11 11 ? A 0.251 -3.174 -8.590 1.000 1 A 50.440 1
ATOM 198 H HG3 . GLN 11 11 ? A 1.699 -2.856 -7.625 1.000 1 A 50.440 1
ATOM 199 H HE21 . GLN 11 11 ? A 0.752 -5.083 -9.739 1.000 1 A 50.440 1
ATOM 200 H HE22 . GLN 11 11 ? A 2.226 -5.178 -10.726 1.000 1 A 50.440 1
ATOM 201 N N . CYS 12 12 ? A 0.949 1.185 -6.876 1.000 1 A 52.490 1
ATOM 202 C CA . CYS 12 12 ? A 1.116 1.881 -5.596 1.000 1 A 52.490 1
ATOM 203 C C . CYS 12 12 ? A -0.234 2.302 -4.999 1.000 1 A 52.490 1
ATOM 204 O O . CYS 12 12 ? A -0.480 2.039 -3.828 1.000 1 A 52.490 1
ATOM 205 C CB . CYS 12 12 ? A 2.046 3.088 -5.770 1.000 1 A 52.490 1
ATOM 206 S SG . CYS 12 12 ? A 3.750 2.506 -5.998 1.000 1 A 52.490 1
ATOM 207 H H . CYS 12 12 ? A 1.358 1.601 -7.700 1.000 1 A 52.490 1
ATOM 208 H HA . CYS 12 12 ? A 1.573 1.201 -4.877 1.000 1 A 52.490 1
ATOM 209 H HB2 . CYS 12 12 ? A 2.005 3.701 -4.869 1.000 1 A 52.490 1
ATOM 210 H HB3 . CYS 12 12 ? A 1.732 3.687 -6.624 1.000 1 A 52.490 1
ATOM 211 H HG . CYS 12 12 ? A 4.338 3.706 -6.030 1.000 1 A 52.490 1
ATOM 212 N N . CYS 13 13 ? A -1.152 2.860 -5.799 1.000 1 A 51.140 1
ATOM 213 C CA . CYS 13 13 ? A -2.485 3.223 -5.306 1.000 1 A 51.140 1
ATOM 214 C C . CYS 13 13 ? A -3.334 2.002 -4.908 1.000 1 A 51.140 1
ATOM 215 O O . CYS 13 13 ? A -4.095 2.086 -3.949 1.000 1 A 51.140 1
ATOM 216 C CB . CYS 13 13 ? A -3.213 4.070 -6.358 1.000 1 A 51.140 1
ATOM 217 S SG . CYS 13 13 ? A -2.423 5.697 -6.534 1.000 1 A 51.140 1
ATOM 218 H H . CYS 13 13 ? A -0.897 3.124 -6.740 1.000 1 A 51.140 1
ATOM 219 H HA . CYS 13 13 ? A -2.372 3.820 -4.400 1.000 1 A 51.140 1
ATOM 220 H HB2 . CYS 13 13 ? A -4.244 4.217 -6.038 1.000 1 A 51.140 1
ATOM 221 H HB3 . CYS 13 13 ? A -3.211 3.552 -7.317 1.000 1 A 51.140 1
ATOM 222 H HG . CYS 13 13 ? A -2.500 6.066 -5.252 1.000 1 A 51.140 1
ATOM 223 N N . LYS 14 14 ? A -3.209 0.857 -5.598 1.000 1 A 54.450 1
ATOM 224 C CA . LYS 14 14 ? A -3.891 -0.388 -5.194 1.000 1 A 54.450 1
ATOM 225 C C . LYS 14 14 ? A -3.299 -1.003 -3.929 1.000 1 A 54.450 1
ATOM 226 O O . LYS 14 14 ? A -4.050 -1.526 -3.109 1.000 1 A 54.450 1
ATOM 227 C CB . LYS 14 14 ? A -3.871 -1.422 -6.328 1.000 1 A 54.450 1
ATOM 228 C CG . LYS 14 14 ? A -5.042 -1.209 -7.291 1.000 1 A 54.450 1
ATOM 229 C CD . LYS 14 14 ? A -5.076 -2.320 -8.347 1.000 1 A 54.450 1
ATOM 230 C CE . LYS 14 14 ? A -6.329 -2.152 -9.211 1.000 1 A 54.450 1
ATOM 231 N NZ . LYS 14 14 ? A -6.435 -3.211 -10.242 1.000 1 A 54.450 1
ATOM 232 H H . LYS 14 14 ? A -2.613 0.849 -6.413 1.000 1 A 54.450 1
ATOM 233 H HA . LYS 14 14 ? A -4.926 -0.157 -4.939 1.000 1 A 54.450 1
ATOM 234 H HB2 . LYS 14 14 ? A -3.974 -2.416 -5.894 1.000 1 A 54.450 1
ATOM 235 H HB3 . LYS 14 14 ? A -2.921 -1.382 -6.860 1.000 1 A 54.450 1
ATOM 236 H HG2 . LYS 14 14 ? A -4.955 -0.234 -7.771 1.000 1 A 54.450 1
ATOM 237 H HG3 . LYS 14 14 ? A -5.973 -1.234 -6.724 1.000 1 A 54.450 1
ATOM 238 H HD2 . LYS 14 14 ? A -4.178 -2.257 -8.962 1.000 1 A 54.450 1
ATOM 239 H HD3 . LYS 14 14 ? A -5.105 -3.288 -7.846 1.000 1 A 54.450 1
ATOM 240 H HE2 . LYS 14 14 ? A -7.201 -2.173 -8.558 1.000 1 A 54.450 1
ATOM 241 H HE3 . LYS 14 14 ? A -6.304 -1.168 -9.678 1.000 1 A 54.450 1
ATOM 242 H HZ1 . LYS 14 14 ? A -7.279 -3.074 -10.780 1.000 1 A 54.450 1
ATOM 243 H HZ2 . LYS 14 14 ? A -5.644 -3.169 -10.868 1.000 1 A 54.450 1
ATOM 244 H HZ3 . LYS 14 14 ? A -6.474 -4.122 -9.808 1.000 1 A 54.450 1
ATOM 245 N N . PHE 15 15 ? A -1.977 -0.954 -3.773 1.000 1 A 51.860 1
ATOM 246 C CA . PHE 15 15 ? A -1.313 -1.424 -2.559 1.000 1 A 51.860 1
ATOM 247 C C . PHE 15 15 ? A -1.722 -0.570 -1.355 1.000 1 A 51.860 1
ATOM 248 O O . PHE 15 15 ? A -2.066 -1.103 -0.301 1.000 1 A 51.860 1
ATOM 249 C CB . PHE 15 15 ? A 0.203 -1.415 -2.779 1.000 1 A 51.860 1
ATOM 250 C CG . PHE 15 15 ? A 0.960 -2.145 -1.691 1.000 1 A 51.860 1
ATOM 251 C CD1 . PHE 15 15 ? A 1.521 -1.437 -0.612 1.000 1 A 51.860 1
ATOM 252 C CD2 . PHE 15 15 ? A 1.081 -3.546 -1.749 1.000 1 A 51.860 1
ATOM 253 C CE1 . PHE 15 15 ? A 2.208 -2.129 0.400 1.000 1 A 51.860 1
ATOM 254 C CE2 . PHE 15 15 ? A 1.767 -4.238 -0.736 1.000 1 A 51.860 1
ATOM 255 C CZ . PHE 15 15 ? A 2.332 -3.529 0.338 1.000 1 A 51.860 1
ATOM 256 H H . PHE 15 15 ? A -1.410 -0.544 -4.501 1.000 1 A 51.860 1
ATOM 257 H HA . PHE 15 15 ? A -1.629 -2.447 -2.354 1.000 1 A 51.860 1
ATOM 258 H HB2 . PHE 15 15 ? A 0.559 -0.387 -2.846 1.000 1 A 51.860 1
ATOM 259 H HB3 . PHE 15 15 ? A 0.427 -1.904 -3.727 1.000 1 A 51.860 1
ATOM 260 H HD1 . PHE 15 15 ? A 1.416 -0.363 -0.554 1.000 1 A 51.860 1
ATOM 261 H HD2 . PHE 15 15 ? A 0.648 -4.093 -2.573 1.000 1 A 51.860 1
ATOM 262 H HE1 . PHE 15 15 ? A 2.635 -1.584 1.229 1.000 1 A 51.860 1
ATOM 263 H HE2 . PHE 15 15 ? A 1.863 -5.313 -0.782 1.000 1 A 51.860 1
ATOM 264 H HZ . PHE 15 15 ? A 2.861 -4.058 1.117 1.000 1 A 51.860 1
ATOM 265 N N . ASP 16 16 ? A -1.788 0.745 -1.559 1.000 1 A 52.740 1
ATOM 266 C CA . ASP 16 16 ? A -2.207 1.700 -0.544 1.000 1 A 52.740 1
ATOM 267 C C . ASP 16 16 ? A -3.699 1.569 -0.213 1.000 1 A 52.740 1
ATOM 268 O O . ASP 16 16 ? A -4.045 1.531 0.955 1.000 1 A 52.740 1
ATOM 269 C CB . ASP 16 16 ? A -1.825 3.108 -1.007 1.000 1 A 52.740 1
ATOM 270 C CG . ASP 16 16 ? A -1.732 4.070 0.171 1.000 1 A 52.740 1
ATOM 271 O OD1 . ASP 16 16 ? A -2.525 5.031 0.180 1.000 1 A 52.740 1
ATOM 272 O OD2 . ASP 16 16 ? A -0.856 3.834 1.032 1.000 1 A 52.740 1
ATOM 273 H H . ASP 16 16 ? A -1.430 1.125 -2.424 1.000 1 A 52.740 1
ATOM 274 H HA . ASP 16 16 ? A -1.651 1.490 0.369 1.000 1 A 52.740 1
ATOM 275 H HB2 . ASP 16 16 ? A -0.842 3.079 -1.476 1.000 1 A 52.740 1
ATOM 276 H HB3 . ASP 16 16 ? A -2.545 3.465 -1.745 1.000 1 A 52.740 1
ATOM 277 N N . GLN 17 17 ? A -4.597 1.354 -1.181 1.000 1 A 50.230 1
ATOM 278 C CA . GLN 17 17 ? A -6.015 1.100 -0.874 1.000 1 A 50.230 1
ATOM 279 C C . GLN 17 17 ? A -6.232 -0.164 -0.031 1.000 1 A 50.230 1
ATOM 280 O O . GLN 17 17 ? A -7.084 -0.164 0.861 1.000 1 A 50.230 1
ATOM 281 C CB . GLN 17 17 ? A -6.841 1.011 -2.164 1.000 1 A 50.230 1
ATOM 282 C CG . GLN 17 17 ? A -7.240 2.407 -2.656 1.000 1 A 50.230 1
ATOM 283 C CD . GLN 17 17 ? A -8.138 2.365 -3.887 1.000 1 A 50.230 1
ATOM 284 O OE1 . GLN 17 17 ? A -8.249 1.388 -4.611 1.000 1 A 50.230 1
ATOM 285 N NE2 . GLN 17 17 ? A -8.829 3.446 -4.179 1.000 1 A 50.230 1
ATOM 286 H H . GLN 17 17 ? A -4.304 1.433 -2.145 1.000 1 A 50.230 1
ATOM 287 H HA . GLN 17 17 ? A -6.390 1.931 -0.276 1.000 1 A 50.230 1
ATOM 288 H HB2 . GLN 17 17 ? A -7.756 0.456 -1.960 1.000 1 A 50.230 1
ATOM 289 H HB3 . GLN 17 17 ? A -6.280 0.479 -2.932 1.000 1 A 50.230 1
ATOM 290 H HG2 . GLN 17 17 ? A -6.349 2.988 -2.890 1.000 1 A 50.230 1
ATOM 291 H HG3 . GLN 17 17 ? A -7.778 2.919 -1.858 1.000 1 A 50.230 1
ATOM 292 H HE21 . GLN 17 17 ? A -9.446 3.380 -4.976 1.000 1 A 50.230 1
ATOM 293 H HE22 . GLN 17 17 ? A -8.759 4.267 -3.595 1.000 1 A 50.230 1
ATOM 294 N N . ASN 18 18 ? A -5.448 -1.220 -0.268 1.000 1 A 50.250 1
ATOM 295 C CA . ASN 18 18 ? A -5.526 -2.428 0.549 1.000 1 A 50.250 1
ATOM 296 C C . ASN 18 18 ? A -4.964 -2.173 1.962 1.000 1 A 50.250 1
ATOM 297 O O . ASN 18 18 ? A -5.551 -2.599 2.952 1.000 1 A 50.250 1
ATOM 298 C CB . ASN 18 18 ? A -4.830 -3.585 -0.196 1.000 1 A 50.250 1
ATOM 299 C CG . ASN 18 18 ? A -5.407 -4.948 0.155 1.000 1 A 50.250 1
ATOM 300 O OD1 . ASN 18 18 ? A -6.511 -5.093 0.642 1.000 1 A 50.250 1
ATOM 301 N ND2 . ASN 18 18 ? A -4.701 -6.014 -0.139 1.000 1 A 50.250 1
ATOM 302 H H . ASN 18 18 ? A -4.762 -1.164 -1.006 1.000 1 A 50.250 1
ATOM 303 H HA . ASN 18 18 ? A -6.581 -2.674 0.672 1.000 1 A 50.250 1
ATOM 304 H HB2 . ASN 18 18 ? A -3.761 -3.567 0.019 1.000 1 A 50.250 1
ATOM 305 H HB3 . ASN 18 18 ? A -4.963 -3.459 -1.270 1.000 1 A 50.250 1
ATOM 306 H HD21 . ASN 18 18 ? A -5.113 -6.891 0.147 1.000 1 A 50.250 1
ATOM 307 H HD22 . ASN 18 18 ? A -3.765 -5.930 -0.510 1.000 1 A 50.250 1
ATOM 308 N N . LEU 19 19 ? A -3.885 -1.392 2.085 1.000 1 A 46.920 1
ATOM 309 C CA . LEU 19 19 ? A -3.302 -1.017 3.378 1.000 1 A 46.920 1
ATOM 310 C C . LEU 19 19 ? A -4.182 -0.023 4.170 1.000 1 A 46.920 1
ATOM 311 O O . LEU 19 19 ? A -4.341 -0.167 5.384 1.000 1 A 46.920 1
ATOM 312 C CB . LEU 19 19 ? A -1.892 -0.460 3.113 1.000 1 A 46.920 1
ATOM 313 C CG . LEU 19 19 ? A -0.995 -0.413 4.361 1.000 1 A 46.920 1
ATOM 314 C CD1 . LEU 19 19 ? A -0.558 -1.814 4.804 1.000 1 A 46.920 1
ATOM 315 C CD2 . LEU 19 19 ? A 0.266 0.397 4.062 1.000 1 A 46.920 1
ATOM 316 H H . LEU 19 19 ? A -3.435 -1.053 1.247 1.000 1 A 46.920 1
ATOM 317 H HA . LEU 19 19 ? A -3.223 -1.924 3.976 1.000 1 A 46.920 1
ATOM 318 H HB2 . LEU 19 19 ? A -1.395 -1.073 2.361 1.000 1 A 46.920 1
ATOM 319 H HB3 . LEU 19 19 ? A -1.990 0.545 2.703 1.000 1 A 46.920 1
ATOM 320 H HG . LEU 19 19 ? A -1.525 0.072 5.181 1.000 1 A 46.920 1
ATOM 321 H HD11 . LEU 19 19 ? A -0.066 -2.327 3.977 1.000 1 A 46.920 1
ATOM 322 H HD12 . LEU 19 19 ? A -1.423 -2.395 5.123 1.000 1 A 46.920 1
ATOM 323 H HD13 . LEU 19 19 ? A 0.135 -1.738 5.642 1.000 1 A 46.920 1
ATOM 324 H HD21 . LEU 19 19 ? A -0.012 1.408 3.765 1.000 1 A 46.920 1
ATOM 325 H HD22 . LEU 19 19 ? A 0.820 -0.064 3.244 1.000 1 A 46.920 1
ATOM 326 H HD23 . LEU 19 19 ? A 0.899 0.453 4.947 1.000 1 A 46.920 1
ATOM 327 N N . ILE 20 20 ? A -4.811 0.939 3.488 1.000 1 A 48.920 1
ATOM 328 C CA . ILE 20 20 ? A -5.758 1.917 4.042 1.000 1 A 48.920 1
ATOM 329 C C . ILE 20 20 ? A -6.995 1.199 4.582 1.000 1 A 48.920 1
ATOM 330 O O . ILE 20 20 ? A -7.460 1.529 5.675 1.000 1 A 48.920 1
ATOM 331 C CB . ILE 20 20 ? A -6.154 2.980 2.981 1.000 1 A 48.920 1
ATOM 332 C CG1 . ILE 20 20 ? A -4.995 3.948 2.660 1.000 1 A 48.920 1
ATOM 333 C CG2 . ILE 20 20 ? A -7.351 3.821 3.484 1.000 1 A 48.920 1
ATOM 334 C CD1 . ILE 20 20 ? A -5.219 4.717 1.348 1.000 1 A 48.920 1
ATOM 335 H H . ILE 20 20 ? A -4.584 1.024 2.507 1.000 1 A 48.920 1
ATOM 336 H HA . ILE 20 20 ? A -5.286 2.429 4.880 1.000 1 A 48.920 1
ATOM 337 H HB . ILE 20 20 ? A -6.451 2.465 2.068 1.000 1 A 48.920 1
ATOM 338 H HG12 . ILE 20 20 ? A -4.047 3.415 2.590 1.000 1 A 48.920 1
ATOM 339 H HG13 . ILE 20 20 ? A -4.895 4.666 3.474 1.000 1 A 48.920 1
ATOM 340 H HG21 . ILE 20 20 ? A -8.248 3.205 3.556 1.000 1 A 48.920 1
ATOM 341 H HG22 . ILE 20 20 ? A -7.588 4.638 2.803 1.000 1 A 48.920 1
ATOM 342 H HG23 . ILE 20 20 ? A -7.124 4.242 4.464 1.000 1 A 48.920 1
ATOM 343 H HD11 . ILE 20 20 ? A -4.995 4.076 0.495 1.000 1 A 48.920 1
ATOM 344 H HD12 . ILE 20 20 ? A -4.574 5.595 1.339 1.000 1 A 48.920 1
ATOM 345 H HD13 . ILE 20 20 ? A -6.243 5.078 1.248 1.000 1 A 48.920 1
ATOM 346 N N . SER 21 21 ? A -7.505 0.182 3.876 1.000 1 A 47.270 1
ATOM 347 C CA . SER 21 21 ? A -8.682 -0.564 4.336 1.000 1 A 47.270 1
ATOM 348 C C . SER 21 21 ? A -8.419 -1.367 5.618 1.000 1 A 47.270 1
ATOM 349 O O . SER 21 21 ? A -9.354 -1.621 6.375 1.000 1 A 47.270 1
ATOM 350 C CB . SER 21 21 ? A -9.220 -1.465 3.224 1.000 1 A 47.270 1
ATOM 351 O OG . SER 21 21 ? A -10.558 -1.811 3.529 1.000 1 A 47.270 1
ATOM 352 H H . SER 21 21 ? A -7.111 -0.034 2.972 1.000 1 A 47.270 1
ATOM 353 H HA . SER 21 21 ? A -9.461 0.162 4.570 1.000 1 A 47.270 1
ATOM 354 H HB2 . SER 21 21 ? A -9.210 -0.923 2.278 1.000 1 A 47.270 1
ATOM 355 H HB3 . SER 21 21 ? A -8.603 -2.359 3.130 1.000 1 A 47.270 1
ATOM 356 H HG . SER 21 21 ? A -10.564 -2.273 4.371 1.000 1 A 47.270 1
ATOM 357 N N . HIS 22 22 ? A -7.159 -1.705 5.915 1.000 1 A 45.660 1
ATOM 358 C CA . HIS 22 22 ? A -6.766 -2.335 7.179 1.000 1 A 45.660 1
ATOM 359 C C . HIS 22 22 ? A -6.436 -1.334 8.297 1.000 1 A 45.660 1
ATOM 360 O O . HIS 22 22 ? A -6.369 -1.722 9.463 1.000 1 A 45.660 1
ATOM 361 C CB . HIS 22 22 ? A -5.606 -3.306 6.917 1.000 1 A 45.660 1
ATOM 362 C CG . HIS 22 22 ? A -6.088 -4.613 6.343 1.000 1 A 45.660 1
ATOM 363 N ND1 . HIS 22 22 ? A -6.709 -5.617 7.052 1.000 1 A 45.660 1
ATOM 364 C CD2 . HIS 22 22 ? A -6.017 -5.033 5.042 1.000 1 A 45.660 1
ATOM 365 C CE1 . HIS 22 22 ? A -7.008 -6.608 6.197 1.000 1 A 45.660 1
ATOM 366 N NE2 . HIS 22 22 ? A -6.604 -6.297 4.961 1.000 1 A 45.660 1
ATOM 367 H H . HIS 22 22 ? A -6.439 -1.513 5.233 1.000 1 A 45.660 1
ATOM 368 H HA . HIS 22 22 ? A -7.606 -2.923 7.551 1.000 1 A 45.660 1
ATOM 369 H HB2 . HIS 22 22 ? A -5.102 -3.526 7.858 1.000 1 A 45.660 1
ATOM 370 H HB3 . HIS 22 22 ? A -4.878 -2.850 6.245 1.000 1 A 45.660 1
ATOM 371 H HD1 . HIS 22 22 ? A -6.915 -5.609 8.041 1.000 1 A 45.660 1
ATOM 372 H HD2 . HIS 22 22 ? A -5.559 -4.505 4.218 1.000 1 A 45.660 1
ATOM 373 H HE1 . HIS 22 22 ? A -7.504 -7.531 6.461 1.000 1 A 45.660 1
ATOM 374 N N . LYS 23 23 ? A -6.246 -0.046 7.986 1.000 1 A 45.800 1
ATOM 375 C CA . LYS 23 23 ? A -5.691 0.931 8.931 1.000 1 A 45.800 1
ATOM 376 C C . LYS 23 23 ? A -6.487 2.237 8.940 1.000 1 A 45.800 1
ATOM 377 O O . LYS 23 23 ? A -5.959 3.317 8.681 1.000 1 A 45.800 1
ATOM 378 C CB . LYS 23 23 ? A -4.182 1.072 8.651 1.000 1 A 45.800 1
ATOM 379 C CG . LYS 23 23 ? A -3.369 1.189 9.947 1.000 1 A 45.800 1
ATOM 380 C CD . LYS 23 23 ? A -1.873 1.218 9.615 1.000 1 A 45.800 1
ATOM 381 C CE . LYS 23 23 ? A -1.032 1.222 10.896 1.000 1 A 45.800 1
ATOM 382 N NZ . LYS 23 23 ? A 0.390 1.512 10.595 1.000 1 A 45.800 1
ATOM 383 H H . LYS 23 23 ? A -6.335 0.223 7.016 1.000 1 A 45.800 1
ATOM 384 H HA . LYS 23 23 ? A -5.799 0.523 9.936 1.000 1 A 45.800 1
ATOM 385 H HB2 . LYS 23 23 ? A -3.834 0.178 8.134 1.000 1 A 45.800 1
ATOM 386 H HB3 . LYS 23 23 ? A -3.985 1.919 7.993 1.000 1 A 45.800 1
ATOM 387 H HG2 . LYS 23 23 ? A -3.647 2.104 10.471 1.000 1 A 45.800 1
ATOM 388 H HG3 . LYS 23 23 ? A -3.581 0.331 10.585 1.000 1 A 45.800 1
ATOM 389 H HD2 . LYS 23 23 ? A -1.616 0.342 9.019 1.000 1 A 45.800 1
ATOM 390 H HD3 . LYS 23 23 ? A -1.665 2.112 9.028 1.000 1 A 45.800 1
ATOM 391 H HE2 . LYS 23 23 ? A -1.136 0.256 11.390 1.000 1 A 45.800 1
ATOM 392 H HE3 . LYS 23 23 ? A -1.428 1.991 11.560 1.000 1 A 45.800 1
ATOM 393 H HZ1 . LYS 23 23 ? A 0.762 0.839 9.940 1.000 1 A 45.800 1
ATOM 394 H HZ2 . LYS 23 23 ? A 0.464 2.434 10.190 1.000 1 A 45.800 1
ATOM 395 H HZ3 . LYS 23 23 ? A 0.944 1.492 11.440 1.000 1 A 45.800 1
ATOM 396 N N . LYS 24 24 ? A -7.763 2.135 9.328 1.000 1 A 46.340 1
ATOM 397 C CA . LYS 24 24 ? A -8.678 3.237 9.699 1.000 1 A 46.340 1
ATOM 398 C C . LYS 24 24 ? A -8.178 4.005 10.948 1.000 1 A 46.340 1
ATOM 399 O O . LYS 24 24 ? A -8.890 4.106 11.940 1.000 1 A 46.340 1
ATOM 400 C CB . LYS 24 24 ? A -10.087 2.626 9.883 1.000 1 A 46.340 1
ATOM 401 C CG . LYS 24 24 ? A -11.245 3.639 9.854 1.000 1 A 46.340 1
ATOM 402 C CD . LYS 24 24 ? A -12.580 2.919 10.112 1.000 1 A 46.340 1
ATOM 403 C CE . LYS 24 24 ? A -13.766 3.885 9.994 1.000 1 A 46.340 1
ATOM 404 N NZ . LYS 24 24 ? A -15.057 3.201 10.262 1.000 1 A 46.340 1
ATOM 405 H H . LYS 24 24 ? A -8.100 1.190 9.446 1.000 1 A 46.340 1
ATOM 406 H HA . LYS 24 24 ? A -8.707 3.944 8.870 1.000 1 A 46.340 1
ATOM 407 H HB2 . LYS 24 24 ? A -10.114 2.072 10.822 1.000 1 A 46.340 1
ATOM 408 H HB3 . LYS 24 24 ? A -10.258 1.913 9.077 1.000 1 A 46.340 1
ATOM 409 H HG2 . LYS 24 24 ? A -11.274 4.118 8.875 1.000 1 A 46.340 1
ATOM 410 H HG3 . LYS 24 24 ? A -11.098 4.405 10.616 1.000 1 A 46.340 1
ATOM 411 H HD2 . LYS 24 24 ? A -12.557 2.489 11.113 1.000 1 A 46.340 1
ATOM 412 H HD3 . LYS 24 24 ? A -12.695 2.116 9.385 1.000 1 A 46.340 1
ATOM 413 H HE2 . LYS 24 24 ? A -13.765 4.310 8.990 1.000 1 A 46.340 1
ATOM 414 H HE3 . LYS 24 24 ? A -13.619 4.703 10.700 1.000 1 A 46.340 1
ATOM 415 H HZ1 . LYS 24 24 ? A -15.829 3.842 10.148 1.000 1 A 46.340 1
ATOM 416 H HZ2 . LYS 24 24 ? A -15.187 2.427 9.625 1.000 1 A 46.340 1
ATOM 417 H HZ3 . LYS 24 24 ? A -15.078 2.844 11.206 1.000 1 A 46.340 1
ATOM 418 N N . GLY 25 25 ? A -6.930 4.483 10.936 1.000 1 A 41.860 1
ATOM 419 C CA . GLY 25 25 ? A -6.277 5.071 12.111 1.000 1 A 41.860 1
ATOM 420 C C . GLY 25 25 ? A -4.951 5.812 11.894 1.000 1 A 41.860 1
ATOM 421 O O . GLY 25 25 ? A -4.576 6.581 12.769 1.000 1 A 41.860 1
ATOM 422 H H . GLY 25 25 ? A -6.406 4.363 10.082 1.000 1 A 41.860 1
ATOM 423 H HA2 . GLY 25 25 ? A -6.086 4.273 12.828 1.000 1 A 41.860 1
ATOM 424 H HA3 . GLY 25 25 ? A -6.967 5.771 12.581 1.000 1 A 41.860 1
ATOM 425 N N . THR 26 26 ? A -4.238 5.667 10.767 1.000 1 A 42.910 1
ATOM 426 C CA . THR 26 26 ? A -3.004 6.453 10.528 1.000 1 A 42.910 1
ATOM 427 C C . THR 26 26 ? A -2.861 6.840 9.060 1.000 1 A 42.910 1
ATOM 428 O O . THR 26 26 ? A -2.231 6.128 8.282 1.000 1 A 42.910 1
ATOM 429 C CB . THR 26 26 ? A -1.726 5.738 11.015 1.000 1 A 42.910 1
ATOM 430 O OG1 . THR 26 26 ? A -1.596 4.465 10.416 1.000 1 A 42.910 1
ATOM 431 C CG2 . THR 26 26 ? A -1.655 5.572 12.531 1.000 1 A 42.910 1
ATOM 432 H H . THR 26 26 ? A -4.542 5.012 10.061 1.000 1 A 42.910 1
ATOM 433 H HA . THR 26 26 ? A -3.063 7.386 11.088 1.000 1 A 42.910 1
ATOM 434 H HB . THR 26 26 ? A -0.870 6.343 10.714 1.000 1 A 42.910 1
ATOM 435 H HG1 . THR 26 26 ? A -1.705 4.639 9.478 1.000 1 A 42.910 1
ATOM 436 H HG21 . THR 26 26 ? A -1.790 6.539 13.015 1.000 1 A 42.910 1
ATOM 437 H HG22 . THR 26 26 ? A -2.430 4.887 12.876 1.000 1 A 42.910 1
ATOM 438 H HG23 . THR 26 26 ? A -0.679 5.173 12.808 1.000 1 A 42.910 1
ATOM 439 N N . HIS 27 27 ? A -3.441 7.979 8.688 1.000 1 A 43.260 1
ATOM 440 C CA . HIS 27 27 ? A -3.264 8.601 7.379 1.000 1 A 43.260 1
ATOM 441 C C . HIS 27 27 ? A -1.884 9.287 7.335 1.000 1 A 43.260 1
ATOM 442 O O . HIS 27 27 ? A -1.771 10.500 7.506 1.000 1 A 43.260 1
ATOM 443 C CB . HIS 27 27 ? A -4.461 9.544 7.132 1.000 1 A 43.260 1
ATOM 444 C CG . HIS 27 27 ? A -4.822 9.751 5.683 1.000 1 A 43.260 1
ATOM 445 N ND1 . HIS 27 27 ? A -4.648 10.901 4.945 1.000 1 A 43.260 1
ATOM 446 C CD2 . HIS 27 27 ? A -5.516 8.871 4.896 1.000 1 A 43.260 1
ATOM 447 C CE1 . HIS 27 27 ? A -5.218 10.712 3.741 1.000 1 A 43.260 1
ATOM 448 N NE2 . HIS 27 27 ? A -5.765 9.491 3.671 1.000 1 A 43.260 1
ATOM 449 H H . HIS 27 27 ? A -3.968 8.499 9.375 1.000 1 A 43.260 1
ATOM 450 H HA . HIS 27 27 ? A -3.283 7.823 6.615 1.000 1 A 43.260 1
ATOM 451 H HB2 . HIS 27 27 ? A -5.345 9.112 7.602 1.000 1 A 43.260 1
ATOM 452 H HB3 . HIS 27 27 ? A -4.291 10.509 7.610 1.000 1 A 43.260 1
ATOM 453 H HD1 . HIS 27 27 ? A -4.194 11.746 5.259 1.000 1 A 43.260 1
ATOM 454 H HD2 . HIS 27 27 ? A -5.854 7.886 5.184 1.000 1 A 43.260 1
ATOM 455 H HE1 . HIS 27 27 ? A -5.244 11.437 2.941 1.000 1 A 43.260 1
ATOM 456 N N . GLN 28 28 ? A -0.808 8.507 7.180 1.000 1 A 40.080 1
ATOM 457 C CA . GLN 28 28 ? A 0.478 9.064 6.756 1.000 1 A 40.080 1
ATOM 458 C C . GLN 28 28 ? A 0.407 9.261 5.247 1.000 1 A 40.080 1
ATOM 459 O O . GLN 28 28 ? A 0.505 8.320 4.471 1.000 1 A 40.080 1
ATOM 460 C CB . GLN 28 28 ? A 1.682 8.216 7.203 1.000 1 A 40.080 1
ATOM 461 C CG . GLN 28 28 ? A 2.269 8.781 8.507 1.000 1 A 40.080 1
ATOM 462 C CD . GLN 28 28 ? A 3.457 7.980 9.028 1.000 1 A 40.080 1
ATOM 463 O OE1 . GLN 28 28 ? A 4.326 7.532 8.305 1.000 1 A 40.080 1
ATOM 464 N NE2 . GLN 28 28 ? A 3.552 7.770 10.323 1.000 1 A 40.080 1
ATOM 465 H H . GLN 28 28 ? A -0.949 7.513 7.074 1.000 1 A 40.080 1
ATOM 466 H HA . GLN 28 28 ? A 0.602 10.052 7.200 1.000 1 A 40.080 1
ATOM 467 H HB2 . GLN 28 28 ? A 1.385 7.176 7.340 1.000 1 A 40.080 1
ATOM 468 H HB3 . GLN 28 28 ? A 2.456 8.257 6.437 1.000 1 A 40.080 1
ATOM 469 H HG2 . GLN 28 28 ? A 1.486 8.793 9.265 1.000 1 A 40.080 1
ATOM 470 H HG3 . GLN 28 28 ? A 2.603 9.806 8.344 1.000 1 A 40.080 1
ATOM 471 H HE21 . GLN 28 28 ? A 2.898 8.190 10.968 1.000 1 A 40.080 1
ATOM 472 H HE22 . GLN 28 28 ? A 4.394 7.296 10.618 1.000 1 A 40.080 1
ATOM 473 N N . HIS 29 29 ? A 0.152 10.515 4.887 1.000 1 A 44.040 1
ATOM 474 C CA . HIS 29 29 ? A 0.268 11.115 3.567 1.000 1 A 44.040 1
ATOM 475 C C . HIS 29 29 ? A 1.268 10.358 2.670 1.000 1 A 44.040 1
ATOM 476 O O . HIS 29 29 ? A 2.468 10.365 2.949 1.000 1 A 44.040 1
ATOM 477 C CB . HIS 29 29 ? A 0.730 12.560 3.856 1.000 1 A 44.040 1
ATOM 478 C CG . HIS 29 29 ? A 0.496 13.572 2.773 1.000 1 A 44.040 1
ATOM 479 N ND1 . HIS 29 29 ? A -0.264 14.715 2.902 1.000 1 A 44.040 1
ATOM 480 C CD2 . HIS 29 29 ? A 1.082 13.616 1.538 1.000 1 A 44.040 1
ATOM 481 C CE1 . HIS 29 29 ? A -0.149 15.421 1.767 1.000 1 A 44.040 1
ATOM 482 N NE2 . HIS 29 29 ? A 0.660 14.789 0.906 1.000 1 A 44.040 1
ATOM 483 H H . HIS 29 29 ? A -0.028 11.155 5.647 1.000 1 A 44.040 1
ATOM 484 H HA . HIS 29 29 ? A -0.712 11.133 3.090 1.000 1 A 44.040 1
ATOM 485 H HB2 . HIS 29 29 ? A 0.201 12.928 4.735 1.000 1 A 44.040 1
ATOM 486 H HB3 . HIS 29 29 ? A 1.791 12.562 4.106 1.000 1 A 44.040 1
ATOM 487 H HD1 . HIS 29 29 ? A -0.780 15.004 3.721 1.000 1 A 44.040 1
ATOM 488 H HD2 . HIS 29 29 ? A 1.780 12.896 1.137 1.000 1 A 44.040 1
ATOM 489 H HE1 . HIS 29 29 ? A -0.623 16.372 1.571 1.000 1 A 44.040 1
ATOM 490 N N . CYS 30 30 ? A 0.791 9.730 1.588 1.000 1 A 48.270 1
ATOM 491 C CA . CYS 30 30 ? A 1.652 9.235 0.513 1.000 1 A 48.270 1
ATOM 492 C C . CYS 30 30 ? A 2.519 10.393 -0.004 1.000 1 A 48.270 1
ATOM 493 O O . CYS 30 30 ? A 2.052 11.232 -0.773 1.000 1 A 48.270 1
ATOM 494 C CB . CYS 30 30 ? A 0.802 8.675 -0.646 1.000 1 A 48.270 1
ATOM 495 S SG . CYS 30 30 ? A 0.518 6.894 -0.494 1.000 1 A 48.270 1
ATOM 496 H H . CYS 30 30 ? A -0.207 9.627 1.476 1.000 1 A 48.270 1
ATOM 497 H HA . CYS 30 30 ? A 2.305 8.452 0.898 1.000 1 A 48.270 1
ATOM 498 H HB2 . CYS 30 30 ? A -0.153 9.197 -0.705 1.000 1 A 48.270 1
ATOM 499 H HB3 . CYS 30 30 ? A 1.324 8.842 -1.588 1.000 1 A 48.270 1
ATOM 500 H HG . CYS 30 30 ? A 1.767 6.487 -0.248 1.000 1 A 48.270 1
ATOM 501 N N . SER 31 31 ? A 3.784 10.466 0.411 1.000 1 A 42.670 1
ATOM 502 C CA . SER 31 31 ? A 4.753 11.349 -0.232 1.000 1 A 42.670 1
ATOM 503 C C . SER 31 31 ? A 5.095 10.771 -1.601 1.000 1 A 42.670 1
ATOM 504 O O . SER 31 31 ? A 5.882 9.831 -1.715 1.000 1 A 42.670 1
ATOM 505 C CB . SER 31 31 ? A 6.022 11.530 0.606 1.000 1 A 42.670 1
ATOM 506 O OG . SER 31 31 ? A 5.779 12.339 1.739 1.000 1 A 42.670 1
ATOM 507 H H . SER 31 31 ? A 4.082 9.871 1.171 1.000 1 A 42.670 1
ATOM 508 H HA . SER 31 31 ? A 4.305 12.331 -0.380 1.000 1 A 42.670 1
ATOM 509 H HB2 . SER 31 31 ? A 6.406 10.559 0.919 1.000 1 A 42.670 1
ATOM 510 H HB3 . SER 31 31 ? A 6.777 12.021 -0.008 1.000 1 A 42.670 1
ATOM 511 H HG . SER 31 31 ? A 5.065 12.953 1.554 1.000 1 A 42.670 1
ATOM 512 N N . PHE 32 32 ? A 4.515 11.351 -2.649 1.000 1 A 47.870 1
ATOM 513 C CA . PHE 32 32 ? A 4.967 11.156 -4.021 1.000 1 A 47.870 1
ATOM 514 C C . PHE 32 32 ? A 6.365 11.769 -4.166 1.000 1 A 47.870 1
ATOM 515 O O . PHE 32 32 ? A 6.514 12.939 -4.511 1.000 1 A 47.870 1
ATOM 516 C CB . PHE 32 32 ? A 3.961 11.781 -5.003 1.000 1 A 47.870 1
ATOM 517 C CG . PHE 32 32 ? A 2.626 11.066 -5.082 1.000 1 A 47.870 1
ATOM 518 C CD1 . PHE 32 32 ? A 2.441 10.023 -6.010 1.000 1 A 47.870 1
ATOM 519 C CD2 . PHE 32 32 ? A 1.566 11.440 -4.234 1.000 1 A 47.870 1
ATOM 520 C CE1 . PHE 32 32 ? A 1.204 9.357 -6.088 1.000 1 A 47.870 1
ATOM 521 C CE2 . PHE 32 32 ? A 0.331 10.774 -4.312 1.000 1 A 47.870 1
ATOM 522 C CZ . PHE 32 32 ? A 0.149 9.733 -5.238 1.000 1 A 47.870 1
ATOM 523 H H . PHE 32 32 ? A 3.786 12.029 -2.479 1.000 1 A 47.870 1
ATOM 524 H HA . PHE 32 32 ? A 5.036 10.089 -4.233 1.000 1 A 47.870 1
ATOM 525 H HB2 . PHE 32 32 ? A 3.792 12.824 -4.734 1.000 1 A 47.870 1
ATOM 526 H HB3 . PHE 32 32 ? A 4.407 11.776 -5.998 1.000 1 A 47.870 1
ATOM 527 H HD1 . PHE 32 32 ? A 3.248 9.735 -6.667 1.000 1 A 47.870 1
ATOM 528 H HD2 . PHE 32 32 ? A 1.697 12.234 -3.513 1.000 1 A 47.870 1
ATOM 529 H HE1 . PHE 32 32 ? A 1.065 8.554 -6.797 1.000 1 A 47.870 1
ATOM 530 H HE2 . PHE 32 32 ? A -0.475 11.058 -3.651 1.000 1 A 47.870 1
ATOM 531 H HZ . PHE 32 32 ? A -0.799 9.219 -5.292 1.000 1 A 47.870 1
ATOM 532 N N . LYS 33 33 ? A 7.414 10.993 -3.878 1.000 1 A 39.120 1
ATOM 533 C CA . LYS 33 33 ? A 8.753 11.306 -4.380 1.000 1 A 39.120 1
ATOM 534 C C . LYS 33 33 ? A 8.797 10.860 -5.835 1.000 1 A 39.120 1
ATOM 535 O O . LYS 33 33 ? A 8.991 9.682 -6.123 1.000 1 A 39.120 1
ATOM 536 C CB . LYS 33 33 ? A 9.859 10.667 -3.526 1.000 1 A 39.120 1
ATOM 537 C CG . LYS 33 33 ? A 10.067 11.425 -2.206 1.000 1 A 39.120 1
ATOM 538 C CD . LYS 33 33 ? A 11.341 10.940 -1.500 1.000 1 A 39.120 1
ATOM 539 C CE . LYS 33 33 ? A 11.587 11.746 -0.219 1.000 1 A 39.120 1
ATOM 540 N NZ . LYS 33 33 ? A 12.872 11.365 0.419 1.000 1 A 39.120 1
ATOM 541 H H . LYS 33 33 ? A 7.235 10.079 -3.487 1.000 1 A 39.120 1
ATOM 542 H HA . LYS 33 33 ? A 8.908 12.385 -4.375 1.000 1 A 39.120 1
ATOM 543 H HB2 . LYS 33 33 ? A 10.787 10.704 -4.096 1.000 1 A 39.120 1
ATOM 544 H HB3 . LYS 33 33 ? A 9.622 9.621 -3.327 1.000 1 A 39.120 1
ATOM 545 H HG2 . LYS 33 33 ? A 10.167 12.490 -2.415 1.000 1 A 39.120 1
ATOM 546 H HG3 . LYS 33 33 ? A 9.205 11.272 -1.557 1.000 1 A 39.120 1
ATOM 547 H HD2 . LYS 33 33 ? A 12.187 11.067 -2.176 1.000 1 A 39.120 1
ATOM 548 H HD3 . LYS 33 33 ? A 11.236 9.882 -1.260 1.000 1 A 39.120 1
ATOM 549 H HE2 . LYS 33 33 ? A 11.598 12.805 -0.476 1.000 1 A 39.120 1
ATOM 550 H HE3 . LYS 33 33 ? A 10.755 11.577 0.465 1.000 1 A 39.120 1
ATOM 551 H HZ1 . LYS 33 33 ? A 13.031 11.909 1.255 1.000 1 A 39.120 1
ATOM 552 H HZ2 . LYS 33 33 ? A 13.639 11.528 -0.217 1.000 1 A 39.120 1
ATOM 553 H HZ3 . LYS 33 33 ? A 12.870 10.385 0.665 1.000 1 A 39.120 1
ATOM 554 N N . PHE 34 34 ? A 8.574 11.802 -6.743 1.000 1 A 49.520 1
ATOM 555 C CA . PHE 34 34 ? A 8.991 11.642 -8.128 1.000 1 A 49.520 1
ATOM 556 C C . PHE 34 34 ? A 10.521 11.519 -8.112 1.000 1 A 49.520 1
ATOM 557 O O . PHE 34 34 ? A 11.218 12.484 -7.814 1.000 1 A 49.520 1
ATOM 558 C CB . PHE 34 34 ? A 8.497 12.838 -8.962 1.000 1 A 49.520 1
ATOM 559 C CG . PHE 34 34 ? A 6.984 12.929 -9.092 1.000 1 A 49.520 1
ATOM 560 C CD1 . PHE 34 34 ? A 6.330 12.300 -10.169 1.000 1 A 49.520 1
ATOM 561 C CD2 . PHE 34 34 ? A 6.226 13.640 -8.140 1.000 1 A 49.520 1
ATOM 562 C CE1 . PHE 34 34 ? A 4.930 12.377 -10.291 1.000 1 A 49.520 1
ATOM 563 C CE2 . PHE 34 34 ? A 4.826 13.716 -8.262 1.000 1 A 49.520 1
ATOM 564 C CZ . PHE 34 34 ? A 4.178 13.085 -9.337 1.000 1 A 49.520 1
ATOM 565 H H . PHE 34 34 ? A 8.339 12.732 -6.427 1.000 1 A 49.520 1
ATOM 566 H HA . PHE 34 34 ? A 8.567 10.728 -8.543 1.000 1 A 49.520 1
ATOM 567 H HB2 . PHE 34 34 ? A 8.927 12.761 -9.961 1.000 1 A 49.520 1
ATOM 568 H HB3 . PHE 34 34 ? A 8.872 13.763 -8.525 1.000 1 A 49.520 1
ATOM 569 H HD1 . PHE 34 34 ? A 6.909 11.770 -10.910 1.000 1 A 49.520 1
ATOM 570 H HD2 . PHE 34 34 ? A 6.717 14.134 -7.314 1.000 1 A 49.520 1
ATOM 571 H HE1 . PHE 34 34 ? A 4.437 11.903 -11.127 1.000 1 A 49.520 1
ATOM 572 H HE2 . PHE 34 34 ? A 4.253 14.266 -7.530 1.000 1 A 49.520 1
ATOM 573 H HZ . PHE 34 34 ? A 3.104 13.152 -9.434 1.000 1 A 49.520 1
ATOM 574 N N . HIS 35 35 ? A 11.043 10.311 -8.327 1.000 1 A 41.720 1
ATOM 575 C CA . HIS 35 35 ? A 12.420 10.157 -8.782 1.000 1 A 41.720 1
ATOM 576 C C . HIS 35 35 ? A 12.405 10.526 -10.264 1.000 1 A 41.720 1
ATOM 577 O O . HIS 35 35 ? A 11.897 9.765 -11.085 1.000 1 A 41.720 1
ATOM 578 C CB . HIS 35 35 ? A 12.944 8.730 -8.512 1.000 1 A 41.720 1
ATOM 579 C CG . HIS 35 35 ? A 14.009 8.616 -7.443 1.000 1 A 41.720 1
ATOM 580 N ND1 . HIS 35 35 ? A 14.935 7.601 -7.355 1.000 1 A 41.720 1
ATOM 581 C CD2 . HIS 35 35 ? A 14.273 9.480 -6.411 1.000 1 A 41.720 1
ATOM 582 C CE1 . HIS 35 35 ? A 15.734 7.848 -6.305 1.000 1 A 41.720 1
ATOM 583 N NE2 . HIS 35 35 ? A 15.358 8.976 -5.684 1.000 1 A 41.720 1
ATOM 584 H H . HIS 35 35 ? A 10.417 9.532 -8.477 1.000 1 A 41.720 1
ATOM 585 H HA . HIS 35 35 ? A 13.068 10.874 -8.278 1.000 1 A 41.720 1
ATOM 586 H HB2 . HIS 35 35 ? A 12.115 8.071 -8.252 1.000 1 A 41.720 1
ATOM 587 H HB3 . HIS 35 35 ? A 13.381 8.344 -9.433 1.000 1 A 41.720 1
ATOM 588 H HD1 . HIS 35 35 ? A 15.065 6.865 -8.035 1.000 1 A 41.720 1
ATOM 589 H HD2 . HIS 35 35 ? A 13.740 10.394 -6.195 1.000 1 A 41.720 1
ATOM 590 H HE1 . HIS 35 35 ? A 16.581 7.244 -6.015 1.000 1 A 41.720 1
ATOM 591 N N . ASP 36 36 ? A 12.868 11.737 -10.557 1.000 1 A 39.080 1
ATOM 592 C CA . ASP 36 36 ? A 13.211 12.173 -11.906 1.000 1 A 39.080 1
ATOM 593 C C . ASP 36 36 ? A 14.450 11.361 -12.327 1.000 1 A 39.080 1
ATOM 594 O O . ASP 36 36 ? A 15.518 11.491 -11.723 1.000 1 A 39.080 1
ATOM 595 C CB . ASP 36 36 ? A 13.438 13.700 -11.879 1.000 1 A 39.080 1
ATOM 596 C CG . ASP 36 36 ? A 13.087 14.384 -13.203 1.000 1 A 39.080 1
ATOM 597 O OD1 . ASP 36 36 ? A 14.019 14.841 -13.896 1.000 1 A 39.080 1
ATOM 598 O OD2 . ASP 36 36 ? A 11.867 14.497 -13.469 1.000 1 A 39.080 1
ATOM 599 H H . ASP 36 36 ? A 13.196 12.330 -9.808 1.000 1 A 39.080 1
ATOM 600 H HA . ASP 36 36 ? A 12.384 11.957 -12.583 1.000 1 A 39.080 1
ATOM 601 H HB2 . ASP 36 36 ? A 12.800 14.140 -11.113 1.000 1 A 39.080 1
ATOM 602 H HB3 . ASP 36 36 ? A 14.469 13.920 -11.601 1.000 1 A 39.080 1
ATOM 603 N N . VAL 37 37 ? A 14.257 10.426 -13.261 1.000 1 A 39.020 1
ATOM 604 C CA . VAL 37 37 ? A 15.305 9.711 -14.009 1.000 1 A 39.020 1
ATOM 605 C C . VAL 37 37 ? A 15.151 10.089 -15.468 1.000 1 A 39.020 1
ATOM 606 O O . VAL 37 37 ? A 13.999 10.006 -15.957 1.000 1 A 39.020 1
ATOM 607 C CB . VAL 37 37 ? A 15.241 8.185 -13.814 1.000 1 A 39.020 1
ATOM 608 C CG1 . VAL 37 37 ? A 15.917 7.392 -14.945 1.000 1 A 39.020 1
ATOM 609 C CG2 . VAL 37 37 ? A 15.944 7.801 -12.508 1.000 1 A 39.020 1
ATOM 610 O OXT . VAL 37 37 ? A 16.206 10.375 -16.066 1.000 1 A 39.020 1
ATOM 611 H H . VAL 37 37 ? A 13.354 10.416 -13.713 1.000 1 A 39.020 1
ATOM 612 H HA . VAL 37 37 ? A 16.290 10.079 -13.720 1.000 1 A 39.020 1
ATOM 613 H HB . VAL 37 37 ? A 14.197 7.878 -13.763 1.000 1 A 39.020 1
ATOM 614 H HG11 . VAL 37 37 ? A 15.360 7.523 -15.872 1.000 1 A 39.020 1
ATOM 615 H HG12 . VAL 37 37 ? A 15.941 6.330 -14.700 1.000 1 A 39.020 1
ATOM 616 H HG13 . VAL 37 37 ? A 16.933 7.760 -15.092 1.000 1 A 39.020 1
ATOM 617 H HG21 . VAL 37 37 ? A 15.483 8.347 -11.684 1.000 1 A 39.020 1
ATOM 618 H HG22 . VAL 37 37 ? A 16.996 8.079 -12.562 1.000 1 A 39.020 1
ATOM 619 H HG23 . VAL 37 37 ? A 15.851 6.730 -12.330 1.000 1 A 39.020 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 46.691

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 43.310
2 1 A 2 LEU 2 45.230
3 1 A 3 LYS 2 43.880
4 1 A 4 CYS 2 40.510
5 1 A 5 LEU 2 43.840
6 1 A 6 LYS 2 46.200
7 1 A 7 ILE 2 52.230
8 1 A 8 ILE 2 53.910
9 1 A 9 VAL 2 53.290
10 1 A 10 HIS 2 51.230
11 1 A 11 GLN 2 50.440
12 1 A 12 CYS 2 52.490
13 1 A 13 CYS 2 51.140
14 1 A 14 LYS 2 54.450
15 1 A 15 PHE 2 51.860
16 1 A 16 ASP 2 52.740
17 1 A 17 GLN 2 50.230
18 1 A 18 ASN 2 50.250
19 1 A 19 LEU 2 46.920
20 1 A 20 ILE 2 48.920
21 1 A 21 SER 2 47.270
22 1 A 22 HIS 2 45.660
23 1 A 23 LYS 2 45.800
24 1 A 24 LYS 2 46.340
25 1 A 25 GLY 2 41.860
26 1 A 26 THR 2 42.910
27 1 A 27 HIS 2 43.260
28 1 A 28 GLN 2 40.080
29 1 A 29 HIS 2 44.040
30 1 A 30 CYS 2 48.270
31 1 A 31 SER 2 42.670
32 1 A 32 PHE 2 47.870
33 1 A 33 LYS 2 39.120
34 1 A 34 PHE 2 49.520
35 1 A 35 HIS 2 41.720
36 1 A 36 ASP 2 39.080
37 1 A 37 VAL 2 39.020

_database_2.database_id ModelArchive
_database_2.database_code ma-asfv-asfvg-020
_database_2.pdbx_DOI 10.5452/ma-asfv-asfvg-020

_pdbx_database_status.entry_id ma-asfv-asfvg-020
_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'