data_ma-asfv-asfvg-011
_entry.id ma-asfv-asfvg-011
_entry.ma_collection_id ma-asfv-asfvg

_struct.entry_id ma-asfv-asfvg-011
_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 00090'

_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'
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'
GLU 'L-peptide linking' 'GLUTAMIC ACID' 'C5 H9 N O4' 147.130 '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'
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 00090 protein' 4894.553 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 . A0A3S9JJZ5_ASF A0A3S9JJZ5 . 1 37 10497 'African swine fever virus (ASFV)' 2019-05-08 45F23226F457740F
1 NCBI . CAD2068344.1 1886136869 . 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 MATCEQVAARQQIAVYQQIAVYQQQLIISKCCLWVSQ MATCEQVAARQQIAVYQQIAVYQQQLIISKCCLWVSQ

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

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 ALA 2 2 ALA ALA A .
A 1 3 THR 3 3 THR THR A .
A 1 4 CYS 4 4 CYS CYS A .
A 1 5 GLU 5 5 GLU GLU A .
A 1 6 GLN 6 6 GLN GLN A .
A 1 7 VAL 7 7 VAL VAL A .
A 1 8 ALA 8 8 ALA ALA A .
A 1 9 ALA 9 9 ALA ALA A .
A 1 10 ARG 10 10 ARG ARG A .
A 1 11 GLN 11 11 GLN GLN A .
A 1 12 GLN 12 12 GLN GLN A .
A 1 13 ILE 13 13 ILE ILE A .
A 1 14 ALA 14 14 ALA ALA A .
A 1 15 VAL 15 15 VAL VAL A .
A 1 16 TYR 16 16 TYR TYR A .
A 1 17 GLN 17 17 GLN GLN A .
A 1 18 GLN 18 18 GLN GLN A .
A 1 19 ILE 19 19 ILE ILE A .
A 1 20 ALA 20 20 ALA ALA A .
A 1 21 VAL 21 21 VAL VAL A .
A 1 22 TYR 22 22 TYR TYR A .
A 1 23 GLN 23 23 GLN GLN A .
A 1 24 GLN 24 24 GLN GLN A .
A 1 25 GLN 25 25 GLN GLN A .
A 1 26 LEU 26 26 LEU LEU A .
A 1 27 ILE 27 27 ILE ILE A .
A 1 28 ILE 28 28 ILE ILE A .
A 1 29 SER 29 29 SER SER A .
A 1 30 LYS 30 30 LYS LYS A .
A 1 31 CYS 31 31 CYS CYS A .
A 1 32 CYS 32 32 CYS CYS A .
A 1 33 LEU 33 33 LEU LEU A .
A 1 34 TRP 34 34 TRP TRP A .
A 1 35 VAL 35 35 VAL VAL A .
A 1 36 SER 36 36 SER SER A .
A 1 37 GLN 37 37 GLN GLN A .

loop_
_ma_data.id
_ma_data.name
_ma_data.content_type
_ma_data.content_type_other_details
1 'ASFV-G ASFV G ACD 00090 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 21.328 2.479 -15.853 1.000 1 A 55.540 1
ATOM 2 C CA . MET 1 1 ? A 20.172 3.236 -16.376 1.000 1 A 55.540 1
ATOM 3 C C . MET 1 1 ? A 18.929 2.626 -15.752 1.000 1 A 55.540 1
ATOM 4 O O . MET 1 1 ? A 18.628 1.483 -16.062 1.000 1 A 55.540 1
ATOM 5 C CB . MET 1 1 ? A 20.121 3.151 -17.912 1.000 1 A 55.540 1
ATOM 6 C CG . MET 1 1 ? A 21.293 3.893 -18.571 1.000 1 A 55.540 1
ATOM 7 S SD . MET 1 1 ? A 21.510 3.474 -20.315 1.000 1 A 55.540 1
ATOM 8 C CE . MET 1 1 ? A 22.888 4.571 -20.755 1.000 1 A 55.540 1
ATOM 9 H H . MET 1 1 ? A 21.379 2.555 -14.848 1.000 1 A 55.540 1
ATOM 10 H H2 . MET 1 1 ? A 21.210 1.505 -16.094 1.000 1 A 55.540 1
ATOM 11 H HA . MET 1 1 ? A 20.235 4.284 -16.082 1.000 1 A 55.540 1
ATOM 12 H HB2 . MET 1 1 ? A 20.149 2.105 -18.216 1.000 1 A 55.540 1
ATOM 13 H HB3 . MET 1 1 ? A 19.188 3.587 -18.269 1.000 1 A 55.540 1
ATOM 14 H HG2 . MET 1 1 ? A 22.222 3.645 -18.059 1.000 1 A 55.540 1
ATOM 15 H HG3 . MET 1 1 ? A 21.126 4.967 -18.481 1.000 1 A 55.540 1
ATOM 16 H HE1 . MET 1 1 ? A 23.150 4.416 -21.802 1.000 1 A 55.540 1
ATOM 17 H HE2 . MET 1 1 ? A 22.593 5.610 -20.612 1.000 1 A 55.540 1
ATOM 18 H HE3 . MET 1 1 ? A 23.755 4.346 -20.134 1.000 1 A 55.540 1
ATOM 19 H H3 . MET 1 1 ? A 22.187 2.816 -16.264 1.000 1 A 55.540 1
ATOM 20 N N . ALA 2 2 ? A 18.289 3.310 -14.801 1.000 1 A 63.870 1
ATOM 21 C CA . ALA 2 2 ? A 16.975 2.882 -14.326 1.000 1 A 63.870 1
ATOM 22 C C . ALA 2 2 ? A 15.994 3.113 -15.479 1.000 1 A 63.870 1
ATOM 23 O O . ALA 2 2 ? A 15.890 4.236 -15.974 1.000 1 A 63.870 1
ATOM 24 C CB . ALA 2 2 ? A 16.603 3.669 -13.064 1.000 1 A 63.870 1
ATOM 25 H H . ALA 2 2 ? A 18.541 4.267 -14.597 1.000 1 A 63.870 1
ATOM 26 H HA . ALA 2 2 ? A 16.993 1.820 -14.082 1.000 1 A 63.870 1
ATOM 27 H HB1 . ALA 2 2 ? A 15.619 3.349 -12.720 1.000 1 A 63.870 1
ATOM 28 H HB2 . ALA 2 2 ? A 16.569 4.737 -13.281 1.000 1 A 63.870 1
ATOM 29 H HB3 . ALA 2 2 ? A 17.331 3.477 -12.276 1.000 1 A 63.870 1
ATOM 30 N N . THR 3 3 ? A 15.372 2.049 -15.978 1.000 1 A 81.090 1
ATOM 31 C CA . THR 3 3 ? A 14.434 2.147 -17.097 1.000 1 A 81.090 1
ATOM 32 C C . THR 3 3 ? A 13.188 2.901 -16.639 1.000 1 A 81.090 1
ATOM 33 O O . THR 3 3 ? A 12.814 2.837 -15.464 1.000 1 A 81.090 1
ATOM 34 C CB . THR 3 3 ? A 14.090 0.761 -17.672 1.000 1 A 81.090 1
ATOM 35 O OG1 . THR 3 3 ? A 13.558 -0.082 -16.679 1.000 1 A 81.090 1
ATOM 36 C CG2 . THR 3 3 ? A 15.330 0.066 -18.238 1.000 1 A 81.090 1
ATOM 37 H H . THR 3 3 ? A 15.476 1.149 -15.532 1.000 1 A 81.090 1
ATOM 38 H HA . THR 3 3 ? A 14.898 2.731 -17.892 1.000 1 A 81.090 1
ATOM 39 H HB . THR 3 3 ? A 13.356 0.881 -18.469 1.000 1 A 81.090 1
ATOM 40 H HG1 . THR 3 3 ? A 13.140 -0.812 -17.142 1.000 1 A 81.090 1
ATOM 41 H HG21 . THR 3 3 ? A 15.795 0.699 -18.994 1.000 1 A 81.090 1
ATOM 42 H HG22 . THR 3 3 ? A 15.033 -0.872 -18.706 1.000 1 A 81.090 1
ATOM 43 H HG23 . THR 3 3 ? A 16.049 -0.143 -17.447 1.000 1 A 81.090 1
ATOM 44 N N . CYS 4 4 ? A 12.529 3.625 -17.548 1.000 1 A 88.530 1
ATOM 45 C CA . CYS 4 4 ? A 11.264 4.302 -17.245 1.000 1 A 88.530 1
ATOM 46 C C . CYS 4 4 ? A 10.250 3.352 -16.579 1.000 1 A 88.530 1
ATOM 47 O O . CYS 4 4 ? A 9.508 3.768 -15.696 1.000 1 A 88.530 1
ATOM 48 C CB . CYS 4 4 ? A 10.690 4.887 -18.542 1.000 1 A 88.530 1
ATOM 49 S SG . CYS 4 4 ? A 11.762 6.219 -19.149 1.000 1 A 88.530 1
ATOM 50 H H . CYS 4 4 ? A 12.908 3.733 -18.477 1.000 1 A 88.530 1
ATOM 51 H HA . CYS 4 4 ? A 11.449 5.117 -16.545 1.000 1 A 88.530 1
ATOM 52 H HB2 . CYS 4 4 ? A 10.593 4.107 -19.298 1.000 1 A 88.530 1
ATOM 53 H HB3 . CYS 4 4 ? A 9.700 5.296 -18.338 1.000 1 A 88.530 1
ATOM 54 H HG . CYS 4 4 ? A 11.037 6.544 -20.223 1.000 1 A 88.530 1
ATOM 55 N N . GLU 5 5 ? A 10.290 2.062 -16.925 1.000 1 A 86.440 1
ATOM 56 C CA . GLU 5 5 ? A 9.482 1.003 -16.313 1.000 1 A 86.440 1
ATOM 57 C C . GLU 5 5 ? A 9.765 0.818 -14.817 1.000 1 A 86.440 1
ATOM 58 O O . GLU 5 5 ? A 8.833 0.719 -14.023 1.000 1 A 86.440 1
ATOM 59 C CB . GLU 5 5 ? A 9.759 -0.319 -17.036 1.000 1 A 86.440 1
ATOM 60 C CG . GLU 5 5 ? A 9.399 -0.267 -18.524 1.000 1 A 86.440 1
ATOM 61 C CD . GLU 5 5 ? A 9.777 -1.591 -19.182 1.000 1 A 86.440 1
ATOM 62 O OE1 . GLU 5 5 ? A 8.849 -2.353 -19.521 1.000 1 A 86.440 1
ATOM 63 O OE2 . GLU 5 5 ? A 11.006 -1.818 -19.288 1.000 1 A 86.440 1
ATOM 64 H H . GLU 5 5 ? A 10.901 1.785 -17.681 1.000 1 A 86.440 1
ATOM 65 H HA . GLU 5 5 ? A 8.424 1.241 -16.423 1.000 1 A 86.440 1
ATOM 66 H HB2 . GLU 5 5 ? A 9.175 -1.108 -16.562 1.000 1 A 86.440 1
ATOM 67 H HB3 . GLU 5 5 ? A 10.815 -0.563 -16.927 1.000 1 A 86.440 1
ATOM 68 H HG2 . GLU 5 5 ? A 9.945 0.540 -19.013 1.000 1 A 86.440 1
ATOM 69 H HG3 . GLU 5 5 ? A 8.332 -0.071 -18.629 1.000 1 A 86.440 1
ATOM 70 N N . GLN 6 6 ? A 11.034 0.831 -14.392 1.000 1 A 87.300 1
ATOM 71 C CA . GLN 6 6 ? A 11.385 0.724 -12.972 1.000 1 A 87.300 1
ATOM 72 C C . GLN 6 6 ? A 10.922 1.948 -12.176 1.000 1 A 87.300 1
ATOM 73 O O . GLN 6 6 ? A 10.486 1.811 -11.032 1.000 1 A 87.300 1
ATOM 74 C CB . GLN 6 6 ? A 12.901 0.555 -12.807 1.000 1 A 87.300 1
ATOM 75 C CG . GLN 6 6 ? A 13.387 -0.835 -13.235 1.000 1 A 87.300 1
ATOM 76 C CD . GLN 6 6 ? A 14.888 -1.016 -13.033 1.000 1 A 87.300 1
ATOM 77 O OE1 . GLN 6 6 ? A 15.647 -0.086 -12.791 1.000 1 A 87.300 1
ATOM 78 N NE2 . GLN 6 6 ? A 15.377 -2.234 -13.106 1.000 1 A 87.300 1
ATOM 79 H H . GLN 6 6 ? A 11.770 0.986 -15.067 1.000 1 A 87.300 1
ATOM 80 H HA . GLN 6 6 ? A 10.883 -0.145 -12.548 1.000 1 A 87.300 1
ATOM 81 H HB2 . GLN 6 6 ? A 13.421 1.321 -13.382 1.000 1 A 87.300 1
ATOM 82 H HB3 . GLN 6 6 ? A 13.153 0.689 -11.755 1.000 1 A 87.300 1
ATOM 83 H HG2 . GLN 6 6 ? A 13.151 -1.008 -14.285 1.000 1 A 87.300 1
ATOM 84 H HG3 . GLN 6 6 ? A 12.864 -1.588 -12.646 1.000 1 A 87.300 1
ATOM 85 H HE21 . GLN 6 6 ? A 14.779 -3.008 -13.357 1.000 1 A 87.300 1
ATOM 86 H HE22 . GLN 6 6 ? A 16.377 -2.333 -13.005 1.000 1 A 87.300 1
ATOM 87 N N . VAL 7 7 ? A 11.002 3.143 -12.770 1.000 1 A 90.190 1
ATOM 88 C CA . VAL 7 7 ? A 10.501 4.374 -12.142 1.000 1 A 90.190 1
ATOM 89 C C . VAL 7 7 ? A 8.977 4.323 -12.022 1.000 1 A 90.190 1
ATOM 90 O O . VAL 7 7 ? A 8.450 4.571 -10.938 1.000 1 A 90.190 1
ATOM 91 C CB . VAL 7 7 ? A 10.969 5.629 -12.903 1.000 1 A 90.190 1
ATOM 92 C CG1 . VAL 7 7 ? A 10.432 6.912 -12.254 1.000 1 A 90.190 1
ATOM 93 C CG2 . VAL 7 7 ? A 12.503 5.716 -12.915 1.000 1 A 90.190 1
ATOM 94 H H . VAL 7 7 ? A 11.353 3.180 -13.716 1.000 1 A 90.190 1
ATOM 95 H HA . VAL 7 7 ? A 10.895 4.432 -11.128 1.000 1 A 90.190 1
ATOM 96 H HB . VAL 7 7 ? A 10.615 5.586 -13.932 1.000 1 A 90.190 1
ATOM 97 H HG11 . VAL 7 7 ? A 10.822 7.782 -12.781 1.000 1 A 90.190 1
ATOM 98 H HG12 . VAL 7 7 ? A 9.344 6.942 -12.322 1.000 1 A 90.190 1
ATOM 99 H HG13 . VAL 7 7 ? A 10.730 6.961 -11.206 1.000 1 A 90.190 1
ATOM 100 H HG21 . VAL 7 7 ? A 12.889 5.734 -11.896 1.000 1 A 90.190 1
ATOM 101 H HG22 . VAL 7 7 ? A 12.814 6.623 -13.434 1.000 1 A 90.190 1
ATOM 102 H HG23 . VAL 7 7 ? A 12.925 4.865 -13.449 1.000 1 A 90.190 1
ATOM 103 N N . ALA 8 8 ? A 8.277 3.927 -13.087 1.000 1 A 89.100 1
ATOM 104 C CA . ALA 8 8 ? A 6.824 3.778 -13.090 1.000 1 A 89.100 1
ATOM 105 C C . ALA 8 8 ? A 6.349 2.731 -12.068 1.000 1 A 89.100 1
ATOM 106 O O . ALA 8 8 ? A 5.423 2.997 -11.304 1.000 1 A 89.100 1
ATOM 107 C CB . ALA 8 8 ? A 6.377 3.422 -14.513 1.000 1 A 89.100 1
ATOM 108 H H . ALA 8 8 ? A 8.764 3.738 -13.952 1.000 1 A 89.100 1
ATOM 109 H HA . ALA 8 8 ? A 6.373 4.732 -12.818 1.000 1 A 89.100 1
ATOM 110 H HB1 . ALA 8 8 ? A 6.703 4.196 -15.208 1.000 1 A 89.100 1
ATOM 111 H HB2 . ALA 8 8 ? A 5.290 3.354 -14.547 1.000 1 A 89.100 1
ATOM 112 H HB3 . ALA 8 8 ? A 6.803 2.466 -14.816 1.000 1 A 89.100 1
ATOM 113 N N . ALA 9 9 ? A 7.024 1.580 -11.977 1.000 1 A 91.480 1
ATOM 114 C CA . ALA 9 9 ? A 6.706 0.546 -10.995 1.000 1 A 91.480 1
ATOM 115 C C . ALA 9 9 ? A 6.868 1.057 -9.554 1.000 1 A 91.480 1
ATOM 116 O O . ALA 9 9 ? A 5.987 0.852 -8.720 1.000 1 A 91.480 1
ATOM 117 C CB . ALA 9 9 ? A 7.595 -0.674 -11.261 1.000 1 A 91.480 1
ATOM 118 H H . ALA 9 9 ? A 7.732 1.379 -12.668 1.000 1 A 91.480 1
ATOM 119 H HA . ALA 9 9 ? A 5.665 0.250 -11.124 1.000 1 A 91.480 1
ATOM 120 H HB1 . ALA 9 9 ? A 7.352 -1.465 -10.552 1.000 1 A 91.480 1
ATOM 121 H HB2 . ALA 9 9 ? A 7.417 -1.042 -12.272 1.000 1 A 91.480 1
ATOM 122 H HB3 . ALA 9 9 ? A 8.646 -0.406 -11.159 1.000 1 A 91.480 1
ATOM 123 N N . ARG 10 10 ? A 7.953 1.787 -9.256 1.000 1 A 91.780 1
ATOM 124 C CA . ARG 10 10 ? A 8.156 2.400 -7.931 1.000 1 A 91.780 1
ATOM 125 C C . ARG 10 10 ? A 7.079 3.430 -7.602 1.000 1 A 91.780 1
ATOM 126 O O . ARG 10 10 ? A 6.605 3.452 -6.471 1.000 1 A 91.780 1
ATOM 127 C CB . ARG 10 10 ? A 9.543 3.046 -7.842 1.000 1 A 91.780 1
ATOM 128 C CG . ARG 10 10 ? A 10.654 1.999 -7.715 1.000 1 A 91.780 1
ATOM 129 C CD . ARG 10 10 ? A 12.009 2.709 -7.681 1.000 1 A 91.780 1
ATOM 130 N NE . ARG 10 10 ? A 13.120 1.744 -7.626 1.000 1 A 91.780 1
ATOM 131 C CZ . ARG 10 10 ? A 14.359 1.995 -7.241 1.000 1 A 91.780 1
ATOM 132 N NH1 . ARG 10 10 ? A 14.731 3.177 -6.832 1.000 1 A 91.780 1
ATOM 133 N NH2 . ARG 10 10 ? A 15.257 1.051 -7.261 1.000 1 A 91.780 1
ATOM 134 H H . ARG 10 10 ? A 8.635 1.940 -9.985 1.000 1 A 91.780 1
ATOM 135 H HA . ARG 10 10 ? A 8.066 1.632 -7.163 1.000 1 A 91.780 1
ATOM 136 H HB2 . ARG 10 10 ? A 9.576 3.687 -6.961 1.000 1 A 91.780 1
ATOM 137 H HB3 . ARG 10 10 ? A 9.713 3.666 -8.722 1.000 1 A 91.780 1
ATOM 138 H HG2 . ARG 10 10 ? A 10.516 1.435 -6.793 1.000 1 A 91.780 1
ATOM 139 H HG3 . ARG 10 10 ? A 10.621 1.308 -8.557 1.000 1 A 91.780 1
ATOM 140 H HD2 . ARG 10 10 ? A 12.030 3.363 -6.809 1.000 1 A 91.780 1
ATOM 141 H HD3 . ARG 10 10 ? A 12.108 3.317 -8.581 1.000 1 A 91.780 1
ATOM 142 H HE . ARG 10 10 ? A 12.913 0.807 -7.940 1.000 1 A 91.780 1
ATOM 143 H HH11 . ARG 10 10 ? A 15.682 3.352 -6.538 1.000 1 A 91.780 1
ATOM 144 H HH12 . ARG 10 10 ? A 14.040 3.913 -6.791 1.000 1 A 91.780 1
ATOM 145 H HH21 . ARG 10 10 ? A 15.009 0.124 -7.575 1.000 1 A 91.780 1
ATOM 146 H HH22 . ARG 10 10 ? A 16.194 1.234 -6.933 1.000 1 A 91.780 1
ATOM 147 N N . GLN 11 11 ? A 6.677 4.249 -8.574 1.000 1 A 87.960 1
ATOM 148 C CA . GLN 11 11 ? A 5.593 5.214 -8.386 1.000 1 A 87.960 1
ATOM 149 C C . GLN 11 11 ? A 4.257 4.515 -8.118 1.000 1 A 87.960 1
ATOM 150 O O . GLN 11 11 ? A 3.559 4.893 -7.183 1.000 1 A 87.960 1
ATOM 151 C CB . GLN 11 11 ? A 5.481 6.136 -9.604 1.000 1 A 87.960 1
ATOM 152 C CG . GLN 11 11 ? A 6.626 7.157 -9.668 1.000 1 A 87.960 1
ATOM 153 C CD . GLN 11 11 ? A 6.519 8.076 -10.881 1.000 1 A 87.960 1
ATOM 154 O OE1 . GLN 11 11 ? A 5.606 8.012 -11.684 1.000 1 A 87.960 1
ATOM 155 N NE2 . GLN 11 11 ? A 7.454 8.981 -11.068 1.000 1 A 87.960 1
ATOM 156 H H . GLN 11 11 ? A 7.117 4.182 -9.480 1.000 1 A 87.960 1
ATOM 157 H HA . GLN 11 11 ? A 5.807 5.825 -7.509 1.000 1 A 87.960 1
ATOM 158 H HB2 . GLN 11 11 ? A 4.541 6.685 -9.540 1.000 1 A 87.960 1
ATOM 159 H HB3 . GLN 11 11 ? A 5.467 5.541 -10.517 1.000 1 A 87.960 1
ATOM 160 H HG2 . GLN 11 11 ? A 6.605 7.773 -8.769 1.000 1 A 87.960 1
ATOM 161 H HG3 . GLN 11 11 ? A 7.586 6.642 -9.705 1.000 1 A 87.960 1
ATOM 162 H HE21 . GLN 11 11 ? A 8.214 9.092 -10.412 1.000 1 A 87.960 1
ATOM 163 H HE22 . GLN 11 11 ? A 7.316 9.582 -11.868 1.000 1 A 87.960 1
ATOM 164 N N . GLN 12 12 ? A 3.923 3.458 -8.864 1.000 1 A 92.390 1
ATOM 165 C CA . GLN 12 12 ? A 2.704 2.687 -8.611 1.000 1 A 92.390 1
ATOM 166 C C . GLN 12 12 ? A 2.714 2.044 -7.222 1.000 1 A 92.390 1
ATOM 167 O O . GLN 12 12 ? A 1.734 2.167 -6.492 1.000 1 A 92.390 1
ATOM 168 C CB . GLN 12 12 ? A 2.514 1.609 -9.681 1.000 1 A 92.390 1
ATOM 169 C CG . GLN 12 12 ? A 2.041 2.194 -11.018 1.000 1 A 92.390 1
ATOM 170 C CD . GLN 12 12 ? A 1.701 1.108 -12.033 1.000 1 A 92.390 1
ATOM 171 O OE1 . GLN 12 12 ? A 1.784 -0.082 -11.781 1.000 1 A 92.390 1
ATOM 172 N NE2 . GLN 12 12 ? A 1.285 1.473 -13.225 1.000 1 A 92.390 1
ATOM 173 H H . GLN 12 12 ? A 4.514 3.195 -9.640 1.000 1 A 92.390 1
ATOM 174 H HA . GLN 12 12 ? A 1.848 3.360 -8.637 1.000 1 A 92.390 1
ATOM 175 H HB2 . GLN 12 12 ? A 1.753 0.913 -9.329 1.000 1 A 92.390 1
ATOM 176 H HB3 . GLN 12 12 ? A 3.443 1.057 -9.826 1.000 1 A 92.390 1
ATOM 177 H HG2 . GLN 12 12 ? A 1.146 2.794 -10.851 1.000 1 A 92.390 1
ATOM 178 H HG3 . GLN 12 12 ? A 2.812 2.840 -11.436 1.000 1 A 92.390 1
ATOM 179 H HE21 . GLN 12 12 ? A 1.198 2.448 -13.471 1.000 1 A 92.390 1
ATOM 180 H HE22 . GLN 12 12 ? A 1.072 0.720 -13.863 1.000 1 A 92.390 1
ATOM 181 N N . ILE 13 13 ? A 3.823 1.414 -6.822 1.000 1 A 93.070 1
ATOM 182 C CA . ILE 13 13 ? A 3.964 0.827 -5.481 1.000 1 A 93.070 1
ATOM 183 C C . ILE 13 13 ? A 3.776 1.902 -4.403 1.000 1 A 93.070 1
ATOM 184 O O . ILE 13 13 ? A 3.043 1.674 -3.442 1.000 1 A 93.070 1
ATOM 185 C CB . ILE 13 13 ? A 5.321 0.099 -5.345 1.000 1 A 93.070 1
ATOM 186 C CG1 . ILE 13 13 ? A 5.353 -1.156 -6.248 1.000 1 A 93.070 1
ATOM 187 C CG2 . ILE 13 13 ? A 5.585 -0.316 -3.883 1.000 1 A 93.070 1
ATOM 188 C CD1 . ILE 13 13 ? A 6.765 -1.715 -6.471 1.000 1 A 93.070 1
ATOM 189 H H . ILE 13 13 ? A 4.587 1.320 -7.477 1.000 1 A 93.070 1
ATOM 190 H HA . ILE 13 13 ? A 3.169 0.096 -5.336 1.000 1 A 93.070 1
ATOM 191 H HB . ILE 13 13 ? A 6.111 0.781 -5.657 1.000 1 A 93.070 1
ATOM 192 H HG12 . ILE 13 13 ? A 4.727 -1.934 -5.811 1.000 1 A 93.070 1
ATOM 193 H HG13 . ILE 13 13 ? A 4.935 -0.923 -7.227 1.000 1 A 93.070 1
ATOM 194 H HG21 . ILE 13 13 ? A 4.765 -0.932 -3.515 1.000 1 A 93.070 1
ATOM 195 H HG22 . ILE 13 13 ? A 6.517 -0.875 -3.802 1.000 1 A 93.070 1
ATOM 196 H HG23 . ILE 13 13 ? A 5.682 0.564 -3.247 1.000 1 A 93.070 1
ATOM 197 H HD11 . ILE 13 13 ? A 7.414 -0.935 -6.870 1.000 1 A 93.070 1
ATOM 198 H HD12 . ILE 13 13 ? A 6.716 -2.532 -7.192 1.000 1 A 93.070 1
ATOM 199 H HD13 . ILE 13 13 ? A 7.183 -2.100 -5.541 1.000 1 A 93.070 1
ATOM 200 N N . ALA 14 14 ? A 4.377 3.082 -4.575 1.000 1 A 90.360 1
ATOM 201 C CA . ALA 14 14 ? A 4.218 4.190 -3.638 1.000 1 A 90.360 1
ATOM 202 C C . ALA 14 14 ? A 2.754 4.656 -3.531 1.000 1 A 90.360 1
ATOM 203 O O . ALA 14 14 ? A 2.261 4.872 -2.425 1.000 1 A 90.360 1
ATOM 204 C CB . ALA 14 14 ? A 5.152 5.330 -4.061 1.000 1 A 90.360 1
ATOM 205 H H . ALA 14 14 ? A 4.975 3.218 -5.378 1.000 1 A 90.360 1
ATOM 206 H HA . ALA 14 14 ? A 4.522 3.851 -2.647 1.000 1 A 90.360 1
ATOM 207 H HB1 . ALA 14 14 ? A 5.078 6.144 -3.340 1.000 1 A 90.360 1
ATOM 208 H HB2 . ALA 14 14 ? A 4.872 5.703 -5.046 1.000 1 A 90.360 1
ATOM 209 H HB3 . ALA 14 14 ? A 6.182 4.974 -4.089 1.000 1 A 90.360 1
ATOM 210 N N . VAL 15 15 ? A 2.034 4.748 -4.654 1.000 1 A 93.650 1
ATOM 211 C CA . VAL 15 15 ? A 0.604 5.102 -4.668 1.000 1 A 93.650 1
ATOM 212 C C . VAL 15 15 ? A -0.236 4.044 -3.947 1.000 1 A 93.650 1
ATOM 213 O O . VAL 15 15 ? A -1.048 4.393 -3.091 1.000 1 A 93.650 1
ATOM 214 C CB . VAL 15 15 ? A 0.112 5.334 -6.111 1.000 1 A 93.650 1
ATOM 215 C CG1 . VAL 15 15 ? A -1.411 5.498 -6.197 1.000 1 A 93.650 1
ATOM 216 C CG2 . VAL 15 15 ? A 0.735 6.609 -6.696 1.000 1 A 93.650 1
ATOM 217 H H . VAL 15 15 ? A 2.496 4.579 -5.536 1.000 1 A 93.650 1
ATOM 218 H HA . VAL 15 15 ? A 0.470 6.032 -4.117 1.000 1 A 93.650 1
ATOM 219 H HB . VAL 15 15 ? A 0.400 4.487 -6.734 1.000 1 A 93.650 1
ATOM 220 H HG11 . VAL 15 15 ? A -1.697 5.770 -7.213 1.000 1 A 93.650 1
ATOM 221 H HG12 . VAL 15 15 ? A -1.905 4.559 -5.951 1.000 1 A 93.650 1
ATOM 222 H HG13 . VAL 15 15 ? A -1.745 6.275 -5.509 1.000 1 A 93.650 1
ATOM 223 H HG21 . VAL 15 15 ? A 1.822 6.575 -6.630 1.000 1 A 93.650 1
ATOM 224 H HG22 . VAL 15 15 ? A 0.386 7.481 -6.142 1.000 1 A 93.650 1
ATOM 225 H HG23 . VAL 15 15 ? A 0.453 6.712 -7.743 1.000 1 A 93.650 1
ATOM 226 N N . TYR 16 16 ? A -0.014 2.753 -4.214 1.000 1 A 93.610 1
ATOM 227 C CA . TYR 16 16 ? A -0.726 1.676 -3.515 1.000 1 A 93.610 1
ATOM 228 C C . TYR 16 16 ? A -0.470 1.694 -2.006 1.000 1 A 93.610 1
ATOM 229 O O . TYR 16 16 ? A -1.405 1.519 -1.225 1.000 1 A 93.610 1
ATOM 230 C CB . TYR 16 16 ? A -0.343 0.308 -4.095 1.000 1 A 93.610 1
ATOM 231 C CG . TYR 16 16 ? A -1.105 -0.053 -5.352 1.000 1 A 93.610 1
ATOM 232 C CD1 . TYR 16 16 ? A -2.487 -0.310 -5.274 1.000 1 A 93.610 1
ATOM 233 C CD2 . TYR 16 16 ? A -0.441 -0.153 -6.590 1.000 1 A 93.610 1
ATOM 234 C CE1 . TYR 16 16 ? A -3.207 -0.648 -6.434 1.000 1 A 93.610 1
ATOM 235 C CE2 . TYR 16 16 ? A -1.158 -0.481 -7.755 1.000 1 A 93.610 1
ATOM 236 C CZ . TYR 16 16 ? A -2.545 -0.729 -7.676 1.000 1 A 93.610 1
ATOM 237 O OH . TYR 16 16 ? A -3.245 -1.055 -8.793 1.000 1 A 93.610 1
ATOM 238 H H . TYR 16 16 ? A 0.655 2.511 -4.930 1.000 1 A 93.610 1
ATOM 239 H HA . TYR 16 16 ? A -1.797 1.823 -3.650 1.000 1 A 93.610 1
ATOM 240 H HB2 . TYR 16 16 ? A -0.567 -0.461 -3.355 1.000 1 A 93.610 1
ATOM 241 H HB3 . TYR 16 16 ? A 0.731 0.273 -4.280 1.000 1 A 93.610 1
ATOM 242 H HD1 . TYR 16 16 ? A -2.997 -0.250 -4.323 1.000 1 A 93.610 1
ATOM 243 H HD2 . TYR 16 16 ? A 0.625 0.009 -6.646 1.000 1 A 93.610 1
ATOM 244 H HE1 . TYR 16 16 ? A -4.268 -0.846 -6.389 1.000 1 A 93.610 1
ATOM 245 H HE2 . TYR 16 16 ? A -0.646 -0.554 -8.703 1.000 1 A 93.610 1
ATOM 246 H HH . TYR 16 16 ? A -2.683 -1.099 -9.570 1.000 1 A 93.610 1
ATOM 247 N N . GLN 17 17 ? A 0.770 1.954 -1.584 1.000 1 A 92.900 1
ATOM 248 C CA . GLN 17 17 ? A 1.105 2.082 -0.166 1.000 1 A 92.900 1
ATOM 249 C C . GLN 17 17 ? A 0.380 3.268 0.479 1.000 1 A 92.900 1
ATOM 250 O O . GLN 17 17 ? A -0.176 3.115 1.564 1.000 1 A 92.900 1
ATOM 251 C CB . GLN 17 17 ? A 2.623 2.211 0.009 1.000 1 A 92.900 1
ATOM 252 C CG . GLN 17 17 ? A 3.341 0.875 -0.230 1.000 1 A 92.900 1
ATOM 253 C CD . GLN 17 17 ? A 4.858 0.994 -0.129 1.000 1 A 92.900 1
ATOM 254 O OE1 . GLN 17 17 ? A 5.436 2.041 0.107 1.000 1 A 92.900 1
ATOM 255 N NE2 . GLN 17 17 ? A 5.578 -0.093 -0.296 1.000 1 A 92.900 1
ATOM 256 H H . GLN 17 17 ? A 1.501 2.080 -2.270 1.000 1 A 92.900 1
ATOM 257 H HA . GLN 17 17 ? A 0.770 1.187 0.358 1.000 1 A 92.900 1
ATOM 258 H HB2 . GLN 17 17 ? A 2.834 2.533 1.029 1.000 1 A 92.900 1
ATOM 259 H HB3 . GLN 17 17 ? A 3.008 2.966 -0.676 1.000 1 A 92.900 1
ATOM 260 H HG2 . GLN 17 17 ? A 3.089 0.482 -1.215 1.000 1 A 92.900 1
ATOM 261 H HG3 . GLN 17 17 ? A 3.002 0.153 0.513 1.000 1 A 92.900 1
ATOM 262 H HE21 . GLN 17 17 ? A 6.575 0.022 -0.183 1.000 1 A 92.900 1
ATOM 263 H HE22 . GLN 17 17 ? A 5.133 -0.981 -0.479 1.000 1 A 92.900 1
ATOM 264 N N . GLN 18 18 ? A 0.315 4.423 -0.190 1.000 1 A 93.950 1
ATOM 265 C CA . GLN 18 18 ? A -0.423 5.580 0.327 1.000 1 A 93.950 1
ATOM 266 C C . GLN 18 18 ? A -1.925 5.302 0.461 1.000 1 A 93.950 1
ATOM 267 O O . GLN 18 18 ? A -2.515 5.633 1.490 1.000 1 A 93.950 1
ATOM 268 C CB . GLN 18 18 ? A -0.191 6.802 -0.568 1.000 1 A 93.950 1
ATOM 269 C CG . GLN 18 18 ? A 1.205 7.405 -0.361 1.000 1 A 93.950 1
ATOM 270 C CD . GLN 18 18 ? A 1.409 8.693 -1.151 1.000 1 A 93.950 1
ATOM 271 O OE1 . GLN 18 18 ? A 0.586 9.136 -1.934 1.000 1 A 93.950 1
ATOM 272 N NE2 . GLN 18 18 ? A 2.522 9.366 -0.965 1.000 1 A 93.950 1
ATOM 273 H H . GLN 18 18 ? A 0.789 4.505 -1.077 1.000 1 A 93.950 1
ATOM 274 H HA . GLN 18 18 ? A -0.060 5.809 1.328 1.000 1 A 93.950 1
ATOM 275 H HB2 . GLN 18 18 ? A -0.328 6.532 -1.615 1.000 1 A 93.950 1
ATOM 276 H HB3 . GLN 18 18 ? A -0.928 7.563 -0.311 1.000 1 A 93.950 1
ATOM 277 H HG2 . GLN 18 18 ? A 1.972 6.688 -0.654 1.000 1 A 93.950 1
ATOM 278 H HG3 . GLN 18 18 ? A 1.339 7.632 0.696 1.000 1 A 93.950 1
ATOM 279 H HE21 . GLN 18 18 ? A 3.225 9.035 -0.319 1.000 1 A 93.950 1
ATOM 280 H HE22 . GLN 18 18 ? A 2.604 10.223 -1.494 1.000 1 A 93.950 1
ATOM 281 N N . ILE 19 19 ? A -2.536 4.647 -0.531 1.000 1 A 94.980 1
ATOM 282 C CA . ILE 19 19 ? A -3.953 4.259 -0.474 1.000 1 A 94.980 1
ATOM 283 C C . ILE 19 19 ? A -4.198 3.288 0.688 1.000 1 A 94.980 1
ATOM 284 O O . ILE 19 19 ? A -5.140 3.483 1.456 1.000 1 A 94.980 1
ATOM 285 C CB . ILE 19 19 ? A -4.412 3.668 -1.827 1.000 1 A 94.980 1
ATOM 286 C CG1 . ILE 19 19 ? A -4.394 4.763 -2.920 1.000 1 A 94.980 1
ATOM 287 C CG2 . ILE 19 19 ? A -5.828 3.063 -1.716 1.000 1 A 94.980 1
ATOM 288 C CD1 . ILE 19 19 ? A -4.547 4.217 -4.345 1.000 1 A 94.980 1
ATOM 289 H H . ILE 19 19 ? A -2.003 4.425 -1.360 1.000 1 A 94.980 1
ATOM 290 H HA . ILE 19 19 ? A -4.548 5.150 -0.272 1.000 1 A 94.980 1
ATOM 291 H HB . ILE 19 19 ? A -3.722 2.875 -2.112 1.000 1 A 94.980 1
ATOM 292 H HG12 . ILE 19 19 ? A -3.450 5.307 -2.883 1.000 1 A 94.980 1
ATOM 293 H HG13 . ILE 19 19 ? A -5.189 5.483 -2.726 1.000 1 A 94.980 1
ATOM 294 H HG21 . ILE 19 19 ? A -6.535 3.822 -1.379 1.000 1 A 94.980 1
ATOM 295 H HG22 . ILE 19 19 ? A -5.837 2.228 -1.016 1.000 1 A 94.980 1
ATOM 296 H HG23 . ILE 19 19 ? A -6.154 2.671 -2.679 1.000 1 A 94.980 1
ATOM 297 H HD11 . ILE 19 19 ? A -4.404 5.031 -5.056 1.000 1 A 94.980 1
ATOM 298 H HD12 . ILE 19 19 ? A -3.795 3.450 -4.531 1.000 1 A 94.980 1
ATOM 299 H HD13 . ILE 19 19 ? A -5.543 3.800 -4.497 1.000 1 A 94.980 1
ATOM 300 N N . ALA 20 20 ? A -3.338 2.280 0.859 1.000 1 A 92.580 1
ATOM 301 C CA . ALA 20 20 ? A -3.459 1.313 1.946 1.000 1 A 92.580 1
ATOM 302 C C . ALA 20 20 ? A -3.351 1.981 3.328 1.000 1 A 92.580 1
ATOM 303 O O . ALA 20 20 ? A -4.162 1.701 4.211 1.000 1 A 92.580 1
ATOM 304 C CB . ALA 20 20 ? A -2.395 0.226 1.755 1.000 1 A 92.580 1
ATOM 305 H H . ALA 20 20 ? A -2.589 2.158 0.192 1.000 1 A 92.580 1
ATOM 306 H HA . ALA 20 20 ? A -4.442 0.845 1.886 1.000 1 A 92.580 1
ATOM 307 H HB1 . ALA 20 20 ? A -2.524 -0.249 0.782 1.000 1 A 92.580 1
ATOM 308 H HB2 . ALA 20 20 ? A -2.501 -0.528 2.534 1.000 1 A 92.580 1
ATOM 309 H HB3 . ALA 20 20 ? A -1.397 0.661 1.811 1.000 1 A 92.580 1
ATOM 310 N N . VAL 21 21 ? A -2.402 2.909 3.510 1.000 1 A 93.470 1
ATOM 311 C CA . VAL 21 21 ? A -2.251 3.673 4.761 1.000 1 A 93.470 1
ATOM 312 C C . VAL 21 21 ? A -3.483 4.540 5.029 1.000 1 A 93.470 1
ATOM 313 O O . VAL 21 21 ? A -4.002 4.533 6.145 1.000 1 A 93.470 1
ATOM 314 C CB . VAL 21 21 ? A -0.965 4.523 4.739 1.000 1 A 93.470 1
ATOM 315 C CG1 . VAL 21 21 ? A -0.872 5.484 5.935 1.000 1 A 93.470 1
ATOM 316 C CG2 . VAL 21 21 ? A 0.278 3.624 4.795 1.000 1 A 93.470 1
ATOM 317 H H . VAL 21 21 ? A -1.753 3.084 2.756 1.000 1 A 93.470 1
ATOM 318 H HA . VAL 21 21 ? A -2.176 2.971 5.592 1.000 1 A 93.470 1
ATOM 319 H HB . VAL 21 21 ? A -0.935 5.110 3.821 1.000 1 A 93.470 1
ATOM 320 H HG11 . VAL 21 21 ? A -1.650 6.245 5.873 1.000 1 A 93.470 1
ATOM 321 H HG12 . VAL 21 21 ? A 0.094 5.990 5.928 1.000 1 A 93.470 1
ATOM 322 H HG13 . VAL 21 21 ? A -0.981 4.931 6.868 1.000 1 A 93.470 1
ATOM 323 H HG21 . VAL 21 21 ? A 0.321 3.107 5.753 1.000 1 A 93.470 1
ATOM 324 H HG22 . VAL 21 21 ? A 1.177 4.228 4.670 1.000 1 A 93.470 1
ATOM 325 H HG23 . VAL 21 21 ? A 0.251 2.876 4.003 1.000 1 A 93.470 1
ATOM 326 N N . TYR 22 22 ? A -3.997 5.244 4.018 1.000 1 A 93.140 1
ATOM 327 C CA . TYR 22 22 ? A -5.201 6.066 4.157 1.000 1 A 93.140 1
ATOM 328 C C . TYR 22 22 ? A -6.429 5.229 4.548 1.000 1 A 93.140 1
ATOM 329 O O . TYR 22 22 ? A -7.187 5.603 5.445 1.000 1 A 93.140 1
ATOM 330 C CB . TYR 22 22 ? A -5.441 6.821 2.845 1.000 1 A 93.140 1
ATOM 331 C CG . TYR 22 22 ? A -6.658 7.721 2.890 1.000 1 A 93.140 1
ATOM 332 C CD1 . TYR 22 22 ? A -7.853 7.330 2.255 1.000 1 A 93.140 1
ATOM 333 C CD2 . TYR 22 22 ? A -6.598 8.942 3.589 1.000 1 A 93.140 1
ATOM 334 C CE1 . TYR 22 22 ? A -8.982 8.169 2.311 1.000 1 A 93.140 1
ATOM 335 C CE2 . TYR 22 22 ? A -7.731 9.773 3.663 1.000 1 A 93.140 1
ATOM 336 C CZ . TYR 22 22 ? A -8.929 9.381 3.028 1.000 1 A 93.140 1
ATOM 337 O OH . TYR 22 22 ? A -10.035 10.165 3.111 1.000 1 A 93.140 1
ATOM 338 H H . TYR 22 22 ? A -3.533 5.221 3.121 1.000 1 A 93.140 1
ATOM 339 H HA . TYR 22 22 ? A -5.038 6.797 4.949 1.000 1 A 93.140 1
ATOM 340 H HB2 . TYR 22 22 ? A -5.553 6.106 2.031 1.000 1 A 93.140 1
ATOM 341 H HB3 . TYR 22 22 ? A -4.567 7.433 2.625 1.000 1 A 93.140 1
ATOM 342 H HD1 . TYR 22 22 ? A -7.898 6.395 1.718 1.000 1 A 93.140 1
ATOM 343 H HD2 . TYR 22 22 ? A -5.684 9.233 4.086 1.000 1 A 93.140 1
ATOM 344 H HE1 . TYR 22 22 ? A -9.899 7.890 1.814 1.000 1 A 93.140 1
ATOM 345 H HE2 . TYR 22 22 ? A -7.684 10.700 4.215 1.000 1 A 93.140 1
ATOM 346 H HH . TYR 22 22 ? A -9.864 10.967 3.611 1.000 1 A 93.140 1
ATOM 347 N N . GLN 23 23 ? A -6.602 4.055 3.933 1.000 1 A 92.390 1
ATOM 348 C CA . GLN 23 23 ? A -7.677 3.129 4.289 1.000 1 A 92.390 1
ATOM 349 C C . GLN 23 23 ? A -7.539 2.608 5.722 1.000 1 A 92.390 1
ATOM 350 O O . GLN 23 23 ? A -8.531 2.578 6.449 1.000 1 A 92.390 1
ATOM 351 C CB . GLN 23 23 ? A -7.716 1.958 3.301 1.000 1 A 92.390 1
ATOM 352 C CG . GLN 23 23 ? A -8.309 2.372 1.948 1.000 1 A 92.390 1
ATOM 353 C CD . GLN 23 23 ? A -8.421 1.196 0.984 1.000 1 A 92.390 1
ATOM 354 O OE1 . GLN 23 23 ? A -7.798 0.158 1.125 1.000 1 A 92.390 1
ATOM 355 N NE2 . GLN 23 23 ? A -9.237 1.304 -0.040 1.000 1 A 92.390 1
ATOM 356 H H . GLN 23 23 ? A -5.955 3.792 3.203 1.000 1 A 92.390 1
ATOM 357 H HA . GLN 23 23 ? A -8.628 3.659 4.238 1.000 1 A 92.390 1
ATOM 358 H HB2 . GLN 23 23 ? A -6.711 1.560 3.161 1.000 1 A 92.390 1
ATOM 359 H HB3 . GLN 23 23 ? A -8.343 1.170 3.718 1.000 1 A 92.390 1
ATOM 360 H HG2 . GLN 23 23 ? A -9.306 2.782 2.111 1.000 1 A 92.390 1
ATOM 361 H HG3 . GLN 23 23 ? A -7.695 3.145 1.487 1.000 1 A 92.390 1
ATOM 362 H HE21 . GLN 23 23 ? A -9.268 0.502 -0.653 1.000 1 A 92.390 1
ATOM 363 H HE22 . GLN 23 23 ? A -9.752 2.156 -0.211 1.000 1 A 92.390 1
ATOM 364 N N . GLN 24 24 ? A -6.328 2.250 6.161 1.000 1 A 92.500 1
ATOM 365 C CA . GLN 24 24 ? A -6.095 1.834 7.546 1.000 1 A 92.500 1
ATOM 366 C C . GLN 24 24 ? A -6.425 2.951 8.541 1.000 1 A 92.500 1
ATOM 367 O O . GLN 24 24 ? A -7.101 2.694 9.535 1.000 1 A 92.500 1
ATOM 368 C CB . GLN 24 24 ? A -4.647 1.368 7.737 1.000 1 A 92.500 1
ATOM 369 C CG . GLN 24 24 ? A -4.401 -0.022 7.135 1.000 1 A 92.500 1
ATOM 370 C CD . GLN 24 24 ? A -2.992 -0.536 7.414 1.000 1 A 92.500 1
ATOM 371 O OE1 . GLN 24 24 ? A -2.212 0.029 8.162 1.000 1 A 92.500 1
ATOM 372 N NE2 . GLN 24 24 ? A -2.609 -1.651 6.833 1.000 1 A 92.500 1
ATOM 373 H H . GLN 24 24 ? A -5.547 2.275 5.521 1.000 1 A 92.500 1
ATOM 374 H HA . GLN 24 24 ? A -6.759 1.002 7.781 1.000 1 A 92.500 1
ATOM 375 H HB2 . GLN 24 24 ? A -4.444 1.315 8.806 1.000 1 A 92.500 1
ATOM 376 H HB3 . GLN 24 24 ? A -3.959 2.088 7.293 1.000 1 A 92.500 1
ATOM 377 H HG2 . GLN 24 24 ? A -5.110 -0.730 7.565 1.000 1 A 92.500 1
ATOM 378 H HG3 . GLN 24 24 ? A -4.562 0.006 6.057 1.000 1 A 92.500 1
ATOM 379 H HE21 . GLN 24 24 ? A -1.678 -1.965 7.064 1.000 1 A 92.500 1
ATOM 380 H HE22 . GLN 24 24 ? A -3.227 -2.144 6.204 1.000 1 A 92.500 1
ATOM 381 N N . GLN 25 25 ? A -6.028 4.195 8.260 1.000 1 A 93.290 1
ATOM 382 C CA . GLN 25 25 ? A -6.366 5.342 9.110 1.000 1 A 93.290 1
ATOM 383 C C . GLN 25 25 ? A -7.879 5.574 9.193 1.000 1 A 93.290 1
ATOM 384 O O . GLN 25 25 ? A -8.405 5.795 10.283 1.000 1 A 93.290 1
ATOM 385 C CB . GLN 25 25 ? A -5.677 6.608 8.591 1.000 1 A 93.290 1
ATOM 386 C CG . GLN 25 25 ? A -4.169 6.609 8.874 1.000 1 A 93.290 1
ATOM 387 C CD . GLN 25 25 ? A -3.487 7.881 8.381 1.000 1 A 93.290 1
ATOM 388 O OE1 . GLN 25 25 ? A -4.092 8.808 7.869 1.000 1 A 93.290 1
ATOM 389 N NE2 . GLN 25 25 ? A -2.185 7.984 8.525 1.000 1 A 93.290 1
ATOM 390 H H . GLN 25 25 ? A -5.466 4.351 7.435 1.000 1 A 93.290 1
ATOM 391 H HA . GLN 25 25 ? A -6.018 5.146 10.124 1.000 1 A 93.290 1
ATOM 392 H HB2 . GLN 25 25 ? A -6.114 7.471 9.092 1.000 1 A 93.290 1
ATOM 393 H HB3 . GLN 25 25 ? A -5.849 6.710 7.519 1.000 1 A 93.290 1
ATOM 394 H HG2 . GLN 25 25 ? A -3.698 5.752 8.393 1.000 1 A 93.290 1
ATOM 395 H HG3 . GLN 25 25 ? A -4.008 6.527 9.949 1.000 1 A 93.290 1
ATOM 396 H HE21 . GLN 25 25 ? A -1.777 8.849 8.200 1.000 1 A 93.290 1
ATOM 397 H HE22 . GLN 25 25 ? A -1.651 7.236 8.944 1.000 1 A 93.290 1
ATOM 398 N N . LEU 26 26 ? A -8.596 5.469 8.070 1.000 1 A 90.720 1
ATOM 399 C CA . LEU 26 26 ? A -10.057 5.562 8.049 1.000 1 A 90.720 1
ATOM 400 C C . LEU 26 26 ? A -10.724 4.454 8.869 1.000 1 A 90.720 1
ATOM 401 O O . LEU 26 26 ? A -11.687 4.729 9.583 1.000 1 A 90.720 1
ATOM 402 C CB . LEU 26 26 ? A -10.556 5.496 6.596 1.000 1 A 90.720 1
ATOM 403 C CG . LEU 26 26 ? A -10.612 6.855 5.885 1.000 1 A 90.720 1
ATOM 404 C CD1 . LEU 26 26 ? A -10.891 6.599 4.407 1.000 1 A 90.720 1
ATOM 405 C CD2 . LEU 26 26 ? A -11.751 7.729 6.422 1.000 1 A 90.720 1
ATOM 406 H H . LEU 26 26 ? A -8.104 5.332 7.198 1.000 1 A 90.720 1
ATOM 407 H HA . LEU 26 26 ? A -10.353 6.507 8.503 1.000 1 A 90.720 1
ATOM 408 H HB2 . LEU 26 26 ? A -11.560 5.071 6.585 1.000 1 A 90.720 1
ATOM 409 H HB3 . LEU 26 26 ? A -9.914 4.820 6.032 1.000 1 A 90.720 1
ATOM 410 H HG . LEU 26 26 ? A -9.663 7.379 5.990 1.000 1 A 90.720 1
ATOM 411 H HD11 . LEU 26 26 ? A -10.033 6.093 3.964 1.000 1 A 90.720 1
ATOM 412 H HD12 . LEU 26 26 ? A -11.048 7.551 3.900 1.000 1 A 90.720 1
ATOM 413 H HD13 . LEU 26 26 ? A -11.782 5.983 4.285 1.000 1 A 90.720 1
ATOM 414 H HD21 . LEU 26 26 ? A -11.784 8.663 5.861 1.000 1 A 90.720 1
ATOM 415 H HD22 . LEU 26 26 ? A -11.577 7.977 7.469 1.000 1 A 90.720 1
ATOM 416 H HD23 . LEU 26 26 ? A -12.707 7.215 6.324 1.000 1 A 90.720 1
ATOM 417 N N . ILE 27 27 ? A -10.232 3.215 8.777 1.000 1 A 91.770 1
ATOM 418 C CA . ILE 27 27 ? A -10.757 2.090 9.561 1.000 1 A 91.770 1
ATOM 419 C C . ILE 27 27 ? A -10.527 2.337 11.051 1.000 1 A 91.770 1
ATOM 420 O O . ILE 27 27 ? A -11.476 2.249 11.823 1.000 1 A 91.770 1
ATOM 421 C CB . ILE 27 27 ? A -10.145 0.750 9.094 1.000 1 A 91.770 1
ATOM 422 C CG1 . ILE 27 27 ? A -10.656 0.398 7.678 1.000 1 A 91.770 1
ATOM 423 C CG2 . ILE 27 27 ? A -10.499 -0.391 10.069 1.000 1 A 91.770 1
ATOM 424 C CD1 . ILE 27 27 ? A -9.815 -0.677 6.978 1.000 1 A 91.770 1
ATOM 425 H H . ILE 27 27 ? A -9.457 3.052 8.151 1.000 1 A 91.770 1
ATOM 426 H HA . ILE 27 27 ? A -11.836 2.034 9.418 1.000 1 A 91.770 1
ATOM 427 H HB . ILE 27 27 ? A -9.060 0.854 9.064 1.000 1 A 91.770 1
ATOM 428 H HG12 . ILE 27 27 ? A -11.690 0.058 7.739 1.000 1 A 91.770 1
ATOM 429 H HG13 . ILE 27 27 ? A -10.644 1.284 7.045 1.000 1 A 91.770 1
ATOM 430 H HG21 . ILE 27 27 ? A -10.120 -1.344 9.702 1.000 1 A 91.770 1
ATOM 431 H HG22 . ILE 27 27 ? A -10.041 -0.221 11.043 1.000 1 A 91.770 1
ATOM 432 H HG23 . ILE 27 27 ? A -11.579 -0.462 10.196 1.000 1 A 91.770 1
ATOM 433 H HD11 . ILE 27 27 ? A -10.178 -0.809 5.958 1.000 1 A 91.770 1
ATOM 434 H HD12 . ILE 27 27 ? A -8.771 -0.366 6.940 1.000 1 A 91.770 1
ATOM 435 H HD13 . ILE 27 27 ? A -9.892 -1.632 7.498 1.000 1 A 91.770 1
ATOM 436 N N . ILE 28 28 ? A -9.308 2.714 11.451 1.000 1 A 91.040 1
ATOM 437 C CA . ILE 28 28 ? A -8.983 3.020 12.850 1.000 1 A 91.040 1
ATOM 438 C C . ILE 28 28 ? A -9.873 4.152 13.364 1.000 1 A 91.040 1
ATOM 439 O O . ILE 28 28 ? A -10.485 4.013 14.417 1.000 1 A 91.040 1
ATOM 440 C CB . ILE 28 28 ? A -7.483 3.358 13.000 1.000 1 A 91.040 1
ATOM 441 C CG1 . ILE 28 28 ? A -6.625 2.099 12.737 1.000 1 A 91.040 1
ATOM 442 C CG2 . ILE 28 28 ? A -7.175 3.913 14.405 1.000 1 A 91.040 1
ATOM 443 C CD1 . ILE 28 28 ? A -5.141 2.410 12.499 1.000 1 A 91.040 1
ATOM 444 H H . ILE 28 28 ? A -8.572 2.772 10.762 1.000 1 A 91.040 1
ATOM 445 H HA . ILE 28 28 ? A -9.198 2.144 13.462 1.000 1 A 91.040 1
ATOM 446 H HB . ILE 28 28 ? A -7.225 4.121 12.265 1.000 1 A 91.040 1
ATOM 447 H HG12 . ILE 28 28 ? A -6.991 1.575 11.855 1.000 1 A 91.040 1
ATOM 448 H HG13 . ILE 28 28 ? A -6.715 1.415 13.581 1.000 1 A 91.040 1
ATOM 449 H HG21 . ILE 28 28 ? A -6.108 4.104 14.520 1.000 1 A 91.040 1
ATOM 450 H HG22 . ILE 28 28 ? A -7.689 4.860 14.571 1.000 1 A 91.040 1
ATOM 451 H HG23 . ILE 28 28 ? A -7.492 3.203 15.169 1.000 1 A 91.040 1
ATOM 452 H HD11 . ILE 28 28 ? A -4.678 2.811 13.401 1.000 1 A 91.040 1
ATOM 453 H HD12 . ILE 28 28 ? A -5.038 3.126 11.684 1.000 1 A 91.040 1
ATOM 454 H HD13 . ILE 28 28 ? A -4.623 1.491 12.225 1.000 1 A 91.040 1
ATOM 455 N N . SER 29 29 ? A -10.012 5.237 12.600 1.000 1 A 88.430 1
ATOM 456 C CA . SER 29 29 ? A -10.864 6.367 12.974 1.000 1 A 88.430 1
ATOM 457 C C . SER 29 29 ? A -12.326 5.942 13.154 1.000 1 A 88.430 1
ATOM 458 O O . SER 29 29 ? A -12.936 6.275 14.169 1.000 1 A 88.430 1
ATOM 459 C CB . SER 29 29 ? A -10.732 7.473 11.925 1.000 1 A 88.430 1
ATOM 460 O OG . SER 29 29 ? A -11.488 8.606 12.296 1.000 1 A 88.430 1
ATOM 461 H H . SER 29 29 ? A -9.479 5.294 11.744 1.000 1 A 88.430 1
ATOM 462 H HA . SER 29 29 ? A -10.516 6.756 13.931 1.000 1 A 88.430 1
ATOM 463 H HB2 . SER 29 29 ? A -9.684 7.758 11.832 1.000 1 A 88.430 1
ATOM 464 H HB3 . SER 29 29 ? A -11.081 7.106 10.960 1.000 1 A 88.430 1
ATOM 465 H HG . SER 29 29 ? A -11.200 8.916 13.157 1.000 1 A 88.430 1
ATOM 466 N N . LYS 30 30 ? A -12.872 5.131 12.237 1.000 1 A 88.820 1
ATOM 467 C CA . LYS 30 30 ? A -14.228 4.574 12.364 1.000 1 A 88.820 1
ATOM 468 C C . LYS 30 30 ? A -14.372 3.661 13.580 1.000 1 A 88.820 1
ATOM 469 O O . LYS 30 30 ? A -15.367 3.767 14.289 1.000 1 A 88.820 1
ATOM 470 C CB . LYS 30 30 ? A -14.616 3.815 11.089 1.000 1 A 88.820 1
ATOM 471 C CG . LYS 30 30 ? A -14.996 4.768 9.950 1.000 1 A 88.820 1
ATOM 472 C CD . LYS 30 30 ? A -15.392 3.962 8.710 1.000 1 A 88.820 1
ATOM 473 C CE . LYS 30 30 ? A -15.829 4.914 7.594 1.000 1 A 88.820 1
ATOM 474 N NZ . LYS 30 30 ? A -16.314 4.166 6.408 1.000 1 A 88.820 1
ATOM 475 H H . LYS 30 30 ? A -12.313 4.871 11.437 1.000 1 A 88.820 1
ATOM 476 H HA . LYS 30 30 ? A -14.932 5.389 12.526 1.000 1 A 88.820 1
ATOM 477 H HB2 . LYS 30 30 ? A -13.794 3.170 10.779 1.000 1 A 88.820 1
ATOM 478 H HB3 . LYS 30 30 ? A -15.478 3.186 11.309 1.000 1 A 88.820 1
ATOM 479 H HG2 . LYS 30 30 ? A -15.841 5.380 10.266 1.000 1 A 88.820 1
ATOM 480 H HG3 . LYS 30 30 ? A -14.161 5.426 9.711 1.000 1 A 88.820 1
ATOM 481 H HD2 . LYS 30 30 ? A -16.213 3.294 8.968 1.000 1 A 88.820 1
ATOM 482 H HD3 . LYS 30 30 ? A -14.537 3.371 8.381 1.000 1 A 88.820 1
ATOM 483 H HE2 . LYS 30 30 ? A -16.618 5.559 7.980 1.000 1 A 88.820 1
ATOM 484 H HE3 . LYS 30 30 ? A -14.982 5.547 7.329 1.000 1 A 88.820 1
ATOM 485 H HZ1 . LYS 30 30 ? A -15.583 3.569 6.048 1.000 1 A 88.820 1
ATOM 486 H HZ2 . LYS 30 30 ? A -16.600 4.806 5.681 1.000 1 A 88.820 1
ATOM 487 H HZ3 . LYS 30 30 ? A -17.105 3.591 6.659 1.000 1 A 88.820 1
ATOM 488 N N . CYS 31 31 ? A -13.397 2.795 13.845 1.000 1 A 87.830 1
ATOM 489 C CA . CYS 31 31 ? A -13.407 1.925 15.018 1.000 1 A 87.830 1
ATOM 490 C C . CYS 31 31 ? A -13.342 2.733 16.322 1.000 1 A 87.830 1
ATOM 491 O O . CYS 31 31 ? A -14.129 2.470 17.224 1.000 1 A 87.830 1
ATOM 492 C CB . CYS 31 31 ? A -12.258 0.914 14.915 1.000 1 A 87.830 1
ATOM 493 S SG . CYS 31 31 ? A -12.657 -0.363 13.685 1.000 1 A 87.830 1
ATOM 494 H H . CYS 31 31 ? A -12.618 2.730 13.205 1.000 1 A 87.830 1
ATOM 495 H HA . CYS 31 31 ? A -14.350 1.378 15.046 1.000 1 A 87.830 1
ATOM 496 H HB2 . CYS 31 31 ? A -12.110 0.434 15.883 1.000 1 A 87.830 1
ATOM 497 H HB3 . CYS 31 31 ? A -11.337 1.425 14.635 1.000 1 A 87.830 1
ATOM 498 H HG . CYS 31 31 ? A -13.739 -0.848 14.300 1.000 1 A 87.830 1
ATOM 499 N N . CYS 32 32 ? A -12.483 3.752 16.416 1.000 1 A 79.970 1
ATOM 500 C CA . CYS 32 32 ? A -12.411 4.632 17.587 1.000 1 A 79.970 1
ATOM 501 C C . CYS 32 32 ? A -13.724 5.394 17.826 1.000 1 A 79.970 1
ATOM 502 O O . CYS 32 32 ? A -14.162 5.508 18.969 1.000 1 A 79.970 1
ATOM 503 C CB . CYS 32 32 ? A -11.247 5.617 17.412 1.000 1 A 79.970 1
ATOM 504 S SG . CYS 32 32 ? A -9.652 4.762 17.551 1.000 1 A 79.970 1
ATOM 505 H H . CYS 32 32 ? A -11.827 3.911 15.665 1.000 1 A 79.970 1
ATOM 506 H HA . CYS 32 32 ? A -12.235 4.029 18.478 1.000 1 A 79.970 1
ATOM 507 H HB2 . CYS 32 32 ? A -11.320 6.106 16.441 1.000 1 A 79.970 1
ATOM 508 H HB3 . CYS 32 32 ? A -11.305 6.377 18.191 1.000 1 A 79.970 1
ATOM 509 H HG . CYS 32 32 ? A -9.819 4.311 18.798 1.000 1 A 79.970 1
ATOM 510 N N . LEU 33 33 ? A -14.370 5.878 16.759 1.000 1 A 81.280 1
ATOM 511 C CA . LEU 33 33 ? A -15.680 6.533 16.840 1.000 1 A 81.280 1
ATOM 512 C C . LEU 33 33 ? A -16.796 5.571 17.262 1.000 1 A 81.280 1
ATOM 513 O O . LEU 33 33 ? A -17.725 5.981 17.950 1.000 1 A 81.280 1
ATOM 514 C CB . LEU 33 33 ? A -16.027 7.152 15.475 1.000 1 A 81.280 1
ATOM 515 C CG . LEU 33 33 ? A -15.234 8.421 15.122 1.000 1 A 81.280 1
ATOM 516 C CD1 . LEU 33 33 ? A -15.494 8.780 13.657 1.000 1 A 81.280 1
ATOM 517 C CD2 . LEU 33 33 ? A -15.643 9.612 15.989 1.000 1 A 81.280 1
ATOM 518 H H . LEU 33 33 ? A -13.933 5.793 15.852 1.000 1 A 81.280 1
ATOM 519 H HA . LEU 33 33 ? A -15.646 7.315 17.599 1.000 1 A 81.280 1
ATOM 520 H HB2 . LEU 33 33 ? A -15.860 6.399 14.704 1.000 1 A 81.280 1
ATOM 521 H HB3 . LEU 33 33 ? A -17.088 7.402 15.463 1.000 1 A 81.280 1
ATOM 522 H HG . LEU 33 33 ? A -14.166 8.248 15.255 1.000 1 A 81.280 1
ATOM 523 H HD11 . LEU 33 33 ? A -14.932 9.677 13.397 1.000 1 A 81.280 1
ATOM 524 H HD12 . LEU 33 33 ? A -16.557 8.958 13.498 1.000 1 A 81.280 1
ATOM 525 H HD13 . LEU 33 33 ? A -15.155 7.964 13.019 1.000 1 A 81.280 1
ATOM 526 H HD21 . LEU 33 33 ? A -15.103 10.504 15.670 1.000 1 A 81.280 1
ATOM 527 H HD22 . LEU 33 33 ? A -15.398 9.421 17.033 1.000 1 A 81.280 1
ATOM 528 H HD23 . LEU 33 33 ? A -16.715 9.792 15.902 1.000 1 A 81.280 1
ATOM 529 N N . TRP 34 34 ? A -16.723 4.303 16.855 1.000 1 A 80.190 1
ATOM 530 C CA . TRP 34 34 ? A -17.702 3.294 17.255 1.000 1 A 80.190 1
ATOM 531 C C . TRP 34 34 ? A -17.541 2.882 18.722 1.000 1 A 80.190 1
ATOM 532 O O . TRP 34 34 ? A -18.532 2.759 19.422 1.000 1 A 80.190 1
ATOM 533 C CB . TRP 34 34 ? A -17.609 2.090 16.316 1.000 1 A 80.190 1
ATOM 534 C CG . TRP 34 34 ? A -18.695 1.084 16.524 1.000 1 A 80.190 1
ATOM 535 C CD1 . TRP 34 34 ? A -19.982 1.234 16.136 1.000 1 A 80.190 1
ATOM 536 C CD2 . TRP 34 34 ? A -18.641 -0.183 17.248 1.000 1 A 80.190 1
ATOM 537 N NE1 . TRP 34 34 ? A -20.721 0.143 16.545 1.000 1 A 80.190 1
ATOM 538 C CE2 . TRP 34 34 ? A -19.945 -0.765 17.231 1.000 1 A 80.190 1
ATOM 539 C CE3 . TRP 34 34 ? A -17.631 -0.890 17.938 1.000 1 A 80.190 1
ATOM 540 C CZ2 . TRP 34 34 ? A -20.232 -1.990 17.847 1.000 1 A 80.190 1
ATOM 541 C CZ3 . TRP 34 34 ? A -17.909 -2.121 18.564 1.000 1 A 80.190 1
ATOM 542 C CH2 . TRP 34 34 ? A -19.202 -2.672 18.517 1.000 1 A 80.190 1
ATOM 543 H H . TRP 34 34 ? A -15.975 4.032 16.233 1.000 1 A 80.190 1
ATOM 544 H HA . TRP 34 34 ? A -18.703 3.714 17.167 1.000 1 A 80.190 1
ATOM 545 H HB2 . TRP 34 34 ? A -17.665 2.441 15.285 1.000 1 A 80.190 1
ATOM 546 H HB3 . TRP 34 34 ? A -16.644 1.601 16.450 1.000 1 A 80.190 1
ATOM 547 H HD1 . TRP 34 34 ? A -20.377 2.104 15.632 1.000 1 A 80.190 1
ATOM 548 H HE1 . TRP 34 34 ? A -21.727 0.088 16.462 1.000 1 A 80.190 1
ATOM 549 H HE3 . TRP 34 34 ? A -16.643 -0.461 18.006 1.000 1 A 80.190 1
ATOM 550 H HZ2 . TRP 34 34 ? A -21.236 -2.387 17.832 1.000 1 A 80.190 1
ATOM 551 H HZ3 . TRP 34 34 ? A -17.129 -2.635 19.106 1.000 1 A 80.190 1
ATOM 552 H HH2 . TRP 34 34 ? A -19.409 -3.605 19.020 1.000 1 A 80.190 1
ATOM 553 N N . VAL 35 35 ? A -16.304 2.739 19.207 1.000 1 A 78.950 1
ATOM 554 C CA . VAL 35 35 ? A -16.017 2.386 20.612 1.000 1 A 78.950 1
ATOM 555 C C . VAL 35 35 ? A -16.346 3.529 21.585 1.000 1 A 78.950 1
ATOM 556 O O . VAL 35 35 ? A -16.497 3.294 22.779 1.000 1 A 78.950 1
ATOM 557 C CB . VAL 35 35 ? A -14.547 1.928 20.740 1.000 1 A 78.950 1
ATOM 558 C CG1 . VAL 35 35 ? A -14.081 1.660 22.178 1.000 1 A 78.950 1
ATOM 559 C CG2 . VAL 35 35 ? A -14.323 0.616 19.970 1.000 1 A 78.950 1
ATOM 560 H H . VAL 35 35 ? A -15.528 2.838 18.568 1.000 1 A 78.950 1
ATOM 561 H HA . VAL 35 35 ? A -16.662 1.555 20.900 1.000 1 A 78.950 1
ATOM 562 H HB . VAL 35 35 ? A -13.900 2.694 20.312 1.000 1 A 78.950 1
ATOM 563 H HG11 . VAL 35 35 ? A -13.084 1.220 22.180 1.000 1 A 78.950 1
ATOM 564 H HG12 . VAL 35 35 ? A -14.035 2.596 22.735 1.000 1 A 78.950 1
ATOM 565 H HG13 . VAL 35 35 ? A -14.778 0.987 22.677 1.000 1 A 78.950 1
ATOM 566 H HG21 . VAL 35 35 ? A -14.912 -0.180 20.425 1.000 1 A 78.950 1
ATOM 567 H HG22 . VAL 35 35 ? A -13.268 0.346 19.994 1.000 1 A 78.950 1
ATOM 568 H HG23 . VAL 35 35 ? A -14.630 0.719 18.929 1.000 1 A 78.950 1
ATOM 569 N N . SER 36 36 ? A -16.455 4.764 21.090 1.000 1 A 74.910 1
ATOM 570 C CA . SER 36 36 ? A -16.750 5.952 21.906 1.000 1 A 74.910 1
ATOM 571 C C . SER 36 36 ? A -18.247 6.307 21.979 1.000 1 A 74.910 1
ATOM 572 O O . SER 36 36 ? A -18.573 7.370 22.507 1.000 1 A 74.910 1
ATOM 573 C CB . SER 36 36 ? A -15.933 7.154 21.415 1.000 1 A 74.910 1
ATOM 574 O OG . SER 36 36 ? A -14.547 6.860 21.358 1.000 1 A 74.910 1
ATOM 575 H H . SER 36 36 ? A -16.384 4.879 20.089 1.000 1 A 74.910 1
ATOM 576 H HA . SER 36 36 ? A -16.441 5.752 22.932 1.000 1 A 74.910 1
ATOM 577 H HB2 . SER 36 36 ? A -16.085 7.993 22.095 1.000 1 A 74.910 1
ATOM 578 H HB3 . SER 36 36 ? A -16.275 7.440 20.421 1.000 1 A 74.910 1
ATOM 579 H HG . SER 36 36 ? A -14.416 6.261 20.619 1.000 1 A 74.910 1
ATOM 580 N N . GLN 37 37 ? A -19.140 5.469 21.435 1.000 1 A 60.340 1
ATOM 581 C CA . GLN 37 37 ? A -20.606 5.611 21.483 1.000 1 A 60.340 1
ATOM 582 C C . GLN 37 37 ? A -21.225 4.507 22.337 1.000 1 A 60.340 1
ATOM 583 O O . GLN 37 37 ? A -22.184 4.827 23.071 1.000 1 A 60.340 1
ATOM 584 C CB . GLN 37 37 ? A -21.192 5.562 20.064 1.000 1 A 60.340 1
ATOM 585 C CG . GLN 37 37 ? A -21.011 6.881 19.308 1.000 1 A 60.340 1
ATOM 586 C CD . GLN 37 37 ? A -21.554 6.779 17.887 1.000 1 A 60.340 1
ATOM 587 O OE1 . GLN 37 37 ? A -22.676 7.144 17.569 1.000 1 A 60.340 1
ATOM 588 N NE2 . GLN 37 37 ? A -20.765 6.277 16.961 1.000 1 A 60.340 1
ATOM 589 O OXT . GLN 37 37 ? A -20.743 3.364 22.199 1.000 1 A 60.340 1
ATOM 590 H H . GLN 37 37 ? A -18.820 4.556 21.145 1.000 1 A 60.340 1
ATOM 591 H HA . GLN 37 37 ? A -20.886 6.548 21.965 1.000 1 A 60.340 1
ATOM 592 H HB2 . GLN 37 37 ? A -20.729 4.744 19.513 1.000 1 A 60.340 1
ATOM 593 H HB3 . GLN 37 37 ? A -22.261 5.358 20.136 1.000 1 A 60.340 1
ATOM 594 H HG2 . GLN 37 37 ? A -19.952 7.138 19.270 1.000 1 A 60.340 1
ATOM 595 H HG3 . GLN 37 37 ? A -21.540 7.675 19.835 1.000 1 A 60.340 1
ATOM 596 H HE21 . GLN 37 37 ? A -21.154 6.191 16.033 1.000 1 A 60.340 1
ATOM 597 H HE22 . GLN 37 37 ? A -19.835 6.000 17.240 1.000 1 A 60.340 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 86.752

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 55.540
2 1 A 2 ALA 2 63.870
3 1 A 3 THR 2 81.090
4 1 A 4 CYS 2 88.530
5 1 A 5 GLU 2 86.440
6 1 A 6 GLN 2 87.300
7 1 A 7 VAL 2 90.190
8 1 A 8 ALA 2 89.100
9 1 A 9 ALA 2 91.480
10 1 A 10 ARG 2 91.780
11 1 A 11 GLN 2 87.960
12 1 A 12 GLN 2 92.390
13 1 A 13 ILE 2 93.070
14 1 A 14 ALA 2 90.360
15 1 A 15 VAL 2 93.650
16 1 A 16 TYR 2 93.610
17 1 A 17 GLN 2 92.900
18 1 A 18 GLN 2 93.950
19 1 A 19 ILE 2 94.980
20 1 A 20 ALA 2 92.580
21 1 A 21 VAL 2 93.470
22 1 A 22 TYR 2 93.140
23 1 A 23 GLN 2 92.390
24 1 A 24 GLN 2 92.500
25 1 A 25 GLN 2 93.290
26 1 A 26 LEU 2 90.720
27 1 A 27 ILE 2 91.770
28 1 A 28 ILE 2 91.040
29 1 A 29 SER 2 88.430
30 1 A 30 LYS 2 88.820
31 1 A 31 CYS 2 87.830
32 1 A 32 CYS 2 79.970
33 1 A 33 LEU 2 81.280
34 1 A 34 TRP 2 80.190
35 1 A 35 VAL 2 78.950
36 1 A 36 SER 2 74.910
37 1 A 37 GLN 2 60.340

_database_2.database_id ModelArchive
_database_2.database_code ma-asfv-asfvg-011
_database_2.pdbx_DOI 10.5452/ma-asfv-asfvg-011

_pdbx_database_status.entry_id ma-asfv-asfvg-011
_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'