data_ma-asfv-asfvg-022
_entry.id ma-asfv-asfvg-022
_entry.ma_collection_id ma-asfv-asfvg

_struct.entry_id ma-asfv-asfvg-022
_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 00360'

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

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

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

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

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

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

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

loop_
_chem_comp.id
_chem_comp.type
_chem_comp.name
_chem_comp.formula
_chem_comp.formula_weight
_chem_comp.ma_provenance
ALA 'L-peptide linking' ALANINE 'C3 H7 N O2' 89.094 'CCD Core'
ARG 'L-peptide linking' ARGININE 'C6 H15 N4 O2 1' 175.212 'CCD Core'
ASN 'L-peptide linking' ASPARAGINE 'C4 H8 N2 O3' 132.119 'CCD Core'
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'
GLY 'peptide linking' GLYCINE 'C2 H5 N O2' 75.067 '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'
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 00360 protein' 5098.894 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 . A0A2X0SDJ7_ASF A0A2X0SDJ7 . 1 38 10497 'African swine fever virus (ASFV)' 2018-09-12 F110B25E350088A2
1 NCBI . CAD2068371.1 1886136896 . 1 38 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 MIKNRCIAQYSFGTSLEMIQATMITMYNSIVIFFFCNV MIKNRCIAQYSFGTSLEMIQATMITMYNSIVIFFFCNV

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

loop_
_struct_asym.id
_struct_asym.entity_id
_struct_asym.details
A 1 .

loop_
_pdbx_poly_seq_scheme.asym_id
_pdbx_poly_seq_scheme.entity_id
_pdbx_poly_seq_scheme.seq_id
_pdbx_poly_seq_scheme.mon_id
_pdbx_poly_seq_scheme.pdb_seq_num
_pdbx_poly_seq_scheme.auth_seq_num
_pdbx_poly_seq_scheme.pdb_mon_id
_pdbx_poly_seq_scheme.auth_mon_id
_pdbx_poly_seq_scheme.pdb_strand_id
_pdbx_poly_seq_scheme.pdb_ins_code
A 1 1 MET 1 1 MET MET A .
A 1 2 ILE 2 2 ILE ILE A .
A 1 3 LYS 3 3 LYS LYS A .
A 1 4 ASN 4 4 ASN ASN A .
A 1 5 ARG 5 5 ARG ARG A .
A 1 6 CYS 6 6 CYS CYS A .
A 1 7 ILE 7 7 ILE ILE A .
A 1 8 ALA 8 8 ALA ALA A .
A 1 9 GLN 9 9 GLN GLN A .
A 1 10 TYR 10 10 TYR TYR A .
A 1 11 SER 11 11 SER SER A .
A 1 12 PHE 12 12 PHE PHE A .
A 1 13 GLY 13 13 GLY GLY A .
A 1 14 THR 14 14 THR THR A .
A 1 15 SER 15 15 SER SER A .
A 1 16 LEU 16 16 LEU LEU A .
A 1 17 GLU 17 17 GLU GLU A .
A 1 18 MET 18 18 MET MET A .
A 1 19 ILE 19 19 ILE ILE A .
A 1 20 GLN 20 20 GLN GLN A .
A 1 21 ALA 21 21 ALA ALA A .
A 1 22 THR 22 22 THR THR A .
A 1 23 MET 23 23 MET MET A .
A 1 24 ILE 24 24 ILE ILE A .
A 1 25 THR 25 25 THR THR A .
A 1 26 MET 26 26 MET MET A .
A 1 27 TYR 27 27 TYR TYR A .
A 1 28 ASN 28 28 ASN ASN A .
A 1 29 SER 29 29 SER SER A .
A 1 30 ILE 30 30 ILE ILE A .
A 1 31 VAL 31 31 VAL VAL A .
A 1 32 ILE 32 32 ILE ILE A .
A 1 33 PHE 33 33 PHE PHE A .
A 1 34 PHE 34 34 PHE PHE A .
A 1 35 PHE 35 35 PHE PHE A .
A 1 36 CYS 36 36 CYS CYS A .
A 1 37 ASN 37 37 ASN ASN A .
A 1 38 VAL 38 38 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 00360 protein' target .
2 'Model 5 (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 5 (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 -4.846 5.279 -23.769 1.000 1 A 38.270 1
ATOM 2 C CA . MET 1 1 ? A -3.410 5.163 -23.412 1.000 1 A 38.270 1
ATOM 3 C C . MET 1 1 ? A -3.236 4.799 -21.930 1.000 1 A 38.270 1
ATOM 4 O O . MET 1 1 ? A -2.654 5.555 -21.169 1.000 1 A 38.270 1
ATOM 5 C CB . MET 1 1 ? A -2.671 6.472 -23.754 1.000 1 A 38.270 1
ATOM 6 C CG . MET 1 1 ? A -2.358 6.635 -25.242 1.000 1 A 38.270 1
ATOM 7 S SD . MET 1 1 ? A -1.683 8.275 -25.583 1.000 1 A 38.270 1
ATOM 8 C CE . MET 1 1 ? A -1.072 8.060 -27.276 1.000 1 A 38.270 1
ATOM 9 H H . MET 1 1 ? A -4.942 5.515 -24.747 1.000 1 A 38.270 1
ATOM 10 H H2 . MET 1 1 ? A -5.342 4.419 -23.586 1.000 1 A 38.270 1
ATOM 11 H HA . MET 1 1 ? A -2.950 4.365 -23.994 1.000 1 A 38.270 1
ATOM 12 H HB2 . MET 1 1 ? A -3.262 7.321 -23.410 1.000 1 A 38.270 1
ATOM 13 H HB3 . MET 1 1 ? A -1.711 6.499 -23.239 1.000 1 A 38.270 1
ATOM 14 H HG2 . MET 1 1 ? A -1.627 5.882 -25.536 1.000 1 A 38.270 1
ATOM 15 H HG3 . MET 1 1 ? A -3.263 6.502 -25.834 1.000 1 A 38.270 1
ATOM 16 H HE1 . MET 1 1 ? A -0.277 7.314 -27.292 1.000 1 A 38.270 1
ATOM 17 H HE2 . MET 1 1 ? A -1.885 7.744 -27.930 1.000 1 A 38.270 1
ATOM 18 H HE3 . MET 1 1 ? A -0.673 9.009 -27.637 1.000 1 A 38.270 1
ATOM 19 H H3 . MET 1 1 ? A -5.270 6.019 -23.229 1.000 1 A 38.270 1
ATOM 20 N N . ILE 2 2 ? A -3.720 3.625 -21.505 1.000 1 A 46.150 1
ATOM 21 C CA . ILE 2 2 ? A -3.508 3.079 -20.146 1.000 1 A 46.150 1
ATOM 22 C C . ILE 2 2 ? A -2.852 1.703 -20.313 1.000 1 A 46.150 1
ATOM 23 O O . ILE 2 2 ? A -3.445 0.678 -20.014 1.000 1 A 46.150 1
ATOM 24 C CB . ILE 2 2 ? A -4.823 3.024 -19.315 1.000 1 A 46.150 1
ATOM 25 C CG1 . ILE 2 2 ? A -5.514 4.406 -19.233 1.000 1 A 46.150 1
ATOM 26 C CG2 . ILE 2 2 ? A -4.551 2.524 -17.878 1.000 1 A 46.150 1
ATOM 27 C CD1 . ILE 2 2 ? A -6.944 4.348 -18.680 1.000 1 A 46.150 1
ATOM 28 H H . ILE 2 2 ? A -4.193 3.004 -22.146 1.000 1 A 46.150 1
ATOM 29 H HA . ILE 2 2 ? A -2.806 3.707 -19.599 1.000 1 A 46.150 1
ATOM 30 H HB . ILE 2 2 ? A -5.507 2.329 -19.802 1.000 1 A 46.150 1
ATOM 31 H HG12 . ILE 2 2 ? A -5.588 4.841 -20.230 1.000 1 A 46.150 1
ATOM 32 H HG13 . ILE 2 2 ? A -4.917 5.081 -18.619 1.000 1 A 46.150 1
ATOM 33 H HG21 . ILE 2 2 ? A -4.085 1.539 -17.863 1.000 1 A 46.150 1
ATOM 34 H HG22 . ILE 2 2 ? A -5.488 2.419 -17.330 1.000 1 A 46.150 1
ATOM 35 H HG23 . ILE 2 2 ? A -3.910 3.225 -17.343 1.000 1 A 46.150 1
ATOM 36 H HD11 . ILE 2 2 ? A -6.944 4.064 -17.627 1.000 1 A 46.150 1
ATOM 37 H HD12 . ILE 2 2 ? A -7.401 5.334 -18.765 1.000 1 A 46.150 1
ATOM 38 H HD13 . ILE 2 2 ? A -7.538 3.634 -19.251 1.000 1 A 46.150 1
ATOM 39 N N . LYS 3 3 ? A -1.670 1.651 -20.937 1.000 1 A 49.050 1
ATOM 40 C CA . LYS 3 3 ? A -0.934 0.384 -21.115 1.000 1 A 49.050 1
ATOM 41 C C . LYS 3 3 ? A 0.419 0.340 -20.405 1.000 1 A 49.050 1
ATOM 42 O O . LYS 3 3 ? A 1.089 -0.669 -20.517 1.000 1 A 49.050 1
ATOM 43 C CB . LYS 3 3 ? A -0.869 -0.047 -22.598 1.000 1 A 49.050 1
ATOM 44 C CG . LYS 3 3 ? A -2.192 -0.675 -23.079 1.000 1 A 49.050 1
ATOM 45 C CD . LYS 3 3 ? A -2.029 -1.362 -24.447 1.000 1 A 49.050 1
ATOM 46 C CE . LYS 3 3 ? A -3.338 -2.042 -24.882 1.000 1 A 49.050 1
ATOM 47 N NZ . LYS 3 3 ? A -3.185 -2.784 -26.163 1.000 1 A 49.050 1
ATOM 48 H H . LYS 3 3 ? A -1.239 2.514 -21.237 1.000 1 A 49.050 1
ATOM 49 H HA . LYS 3 3 ? A -1.468 -0.413 -20.598 1.000 1 A 49.050 1
ATOM 50 H HB2 . LYS 3 3 ? A -0.089 -0.800 -22.714 1.000 1 A 49.050 1
ATOM 51 H HB3 . LYS 3 3 ? A -0.605 0.804 -23.226 1.000 1 A 49.050 1
ATOM 52 H HG2 . LYS 3 3 ? A -2.514 -1.425 -22.356 1.000 1 A 49.050 1
ATOM 53 H HG3 . LYS 3 3 ? A -2.958 0.097 -23.145 1.000 1 A 49.050 1
ATOM 54 H HD2 . LYS 3 3 ? A -1.732 -0.621 -25.190 1.000 1 A 49.050 1
ATOM 55 H HD3 . LYS 3 3 ? A -1.245 -2.114 -24.369 1.000 1 A 49.050 1
ATOM 56 H HE2 . LYS 3 3 ? A -3.641 -2.731 -24.094 1.000 1 A 49.050 1
ATOM 57 H HE3 . LYS 3 3 ? A -4.117 -1.285 -24.976 1.000 1 A 49.050 1
ATOM 58 H HZ1 . LYS 3 3 ? A -2.909 -2.173 -26.918 1.000 1 A 49.050 1
ATOM 59 H HZ2 . LYS 3 3 ? A -2.485 -3.506 -26.070 1.000 1 A 49.050 1
ATOM 60 H HZ3 . LYS 3 3 ? A -4.050 -3.238 -26.419 1.000 1 A 49.050 1
ATOM 61 N N . ASN 4 4 ? A 0.819 1.379 -19.661 1.000 1 A 44.960 1
ATOM 62 C CA . ASN 4 4 ? A 2.154 1.369 -19.048 1.000 1 A 44.960 1
ATOM 63 C C . ASN 4 4 ? A 2.327 2.170 -17.747 1.000 1 A 44.960 1
ATOM 64 O O . ASN 4 4 ? A 3.458 2.363 -17.309 1.000 1 A 44.960 1
ATOM 65 C CB . ASN 4 4 ? A 3.188 1.785 -20.124 1.000 1 A 44.960 1
ATOM 66 C CG . ASN 4 4 ? A 4.354 0.812 -20.209 1.000 1 A 44.960 1
ATOM 67 O OD1 . ASN 4 4 ? A 4.244 -0.362 -19.921 1.000 1 A 44.960 1
ATOM 68 N ND2 . ASN 4 4 ? A 5.506 1.259 -20.644 1.000 1 A 44.960 1
ATOM 69 H H . ASN 4 4 ? A 0.242 2.206 -19.603 1.000 1 A 44.960 1
ATOM 70 H HA . ASN 4 4 ? A 2.356 0.342 -18.743 1.000 1 A 44.960 1
ATOM 71 H HB2 . ASN 4 4 ? A 3.571 2.783 -19.912 1.000 1 A 44.960 1
ATOM 72 H HB3 . ASN 4 4 ? A 2.739 1.806 -21.117 1.000 1 A 44.960 1
ATOM 73 H HD21 . ASN 4 4 ? A 5.656 2.234 -20.861 1.000 1 A 44.960 1
ATOM 74 H HD22 . ASN 4 4 ? A 6.251 0.578 -20.675 1.000 1 A 44.960 1
ATOM 75 N N . ARG 5 5 ? A 1.249 2.654 -17.106 1.000 1 A 44.800 1
ATOM 76 C CA . ARG 5 5 ? A 1.414 3.517 -15.919 1.000 1 A 44.800 1
ATOM 77 C C . ARG 5 5 ? A 1.942 2.772 -14.687 1.000 1 A 44.800 1
ATOM 78 O O . ARG 5 5 ? A 2.603 3.400 -13.876 1.000 1 A 44.800 1
ATOM 79 C CB . ARG 5 5 ? A 0.147 4.338 -15.619 1.000 1 A 44.800 1
ATOM 80 C CG . ARG 5 5 ? A 0.490 5.562 -14.745 1.000 1 A 44.800 1
ATOM 81 C CD . ARG 5 5 ? A -0.704 6.509 -14.566 1.000 1 A 44.800 1
ATOM 82 N NE . ARG 5 5 ? A -0.256 7.911 -14.448 1.000 1 A 44.800 1
ATOM 83 C CZ . ARG 5 5 ? A -1.021 8.987 -14.494 1.000 1 A 44.800 1
ATOM 84 N NH1 . ARG 5 5 ? A -2.323 8.908 -14.515 1.000 1 A 44.800 1
ATOM 85 N NH2 . ARG 5 5 ? A -0.487 10.176 -14.517 1.000 1 A 44.800 1
ATOM 86 H H . ARG 5 5 ? A 0.323 2.421 -17.434 1.000 1 A 44.800 1
ATOM 87 H HA . ARG 5 5 ? A 2.210 4.224 -16.153 1.000 1 A 44.800 1
ATOM 88 H HB2 . ARG 5 5 ? A -0.593 3.716 -15.116 1.000 1 A 44.800 1
ATOM 89 H HB3 . ARG 5 5 ? A -0.272 4.693 -16.561 1.000 1 A 44.800 1
ATOM 90 H HG2 . ARG 5 5 ? A 1.301 6.106 -15.229 1.000 1 A 44.800 1
ATOM 91 H HG3 . ARG 5 5 ? A 0.829 5.245 -13.759 1.000 1 A 44.800 1
ATOM 92 H HD2 . ARG 5 5 ? A -1.358 6.423 -15.435 1.000 1 A 44.800 1
ATOM 93 H HD3 . ARG 5 5 ? A -1.261 6.211 -13.678 1.000 1 A 44.800 1
ATOM 94 H HE . ARG 5 5 ? A 0.736 8.061 -14.335 1.000 1 A 44.800 1
ATOM 95 H HH11 . ARG 5 5 ? A -2.757 8.004 -14.395 1.000 1 A 44.800 1
ATOM 96 H HH12 . ARG 5 5 ? A -2.886 9.746 -14.489 1.000 1 A 44.800 1
ATOM 97 H HH21 . ARG 5 5 ? A 0.515 10.286 -14.461 1.000 1 A 44.800 1
ATOM 98 H HH22 . ARG 5 5 ? A -1.071 11.000 -14.520 1.000 1 A 44.800 1
ATOM 99 N N . CYS 6 6 ? A 1.730 1.460 -14.572 1.000 1 A 51.750 1
ATOM 100 C CA . CYS 6 6 ? A 2.208 0.710 -13.403 1.000 1 A 51.750 1
ATOM 101 C C . CYS 6 6 ? A 3.670 0.241 -13.487 1.000 1 A 51.750 1
ATOM 102 O O . CYS 6 6 ? A 4.203 -0.161 -12.464 1.000 1 A 51.750 1
ATOM 103 C CB . CYS 6 6 ? A 1.263 -0.459 -13.095 1.000 1 A 51.750 1
ATOM 104 S SG . CYS 6 6 ? A -0.298 0.190 -12.436 1.000 1 A 51.750 1
ATOM 105 H H . CYS 6 6 ? A 1.143 0.986 -15.243 1.000 1 A 51.750 1
ATOM 106 H HA . CYS 6 6 ? A 2.182 1.365 -12.532 1.000 1 A 51.750 1
ATOM 107 H HB2 . CYS 6 6 ? A 1.092 -1.075 -13.978 1.000 1 A 51.750 1
ATOM 108 H HB3 . CYS 6 6 ? A 1.724 -1.077 -12.325 1.000 1 A 51.750 1
ATOM 109 H HG . CYS 6 6 ? A -0.712 -0.934 -11.843 1.000 1 A 51.750 1
ATOM 110 N N . ILE 7 7 ? A 4.332 0.280 -14.653 1.000 1 A 50.060 1
ATOM 111 C CA . ILE 7 7 ? A 5.675 -0.330 -14.805 1.000 1 A 50.060 1
ATOM 112 C C . ILE 7 7 ? A 6.798 0.723 -14.843 1.000 1 A 50.060 1
ATOM 113 O O . ILE 7 7 ? A 7.966 0.397 -14.676 1.000 1 A 50.060 1
ATOM 114 C CB . ILE 7 7 ? A 5.701 -1.335 -15.990 1.000 1 A 50.060 1
ATOM 115 C CG1 . ILE 7 7 ? A 4.533 -2.349 -15.871 1.000 1 A 50.060 1
ATOM 116 C CG2 . ILE 7 7 ? A 7.041 -2.098 -16.047 1.000 1 A 50.060 1
ATOM 117 C CD1 . ILE 7 7 ? A 4.432 -3.365 -17.017 1.000 1 A 50.060 1
ATOM 118 H H . ILE 7 7 ? A 3.876 0.654 -15.473 1.000 1 A 50.060 1
ATOM 119 H HA . ILE 7 7 ? A 5.890 -0.925 -13.917 1.000 1 A 50.060 1
ATOM 120 H HB . ILE 7 7 ? A 5.581 -0.779 -16.920 1.000 1 A 50.060 1
ATOM 121 H HG12 . ILE 7 7 ? A 3.586 -1.810 -15.864 1.000 1 A 50.060 1
ATOM 122 H HG13 . ILE 7 7 ? A 4.618 -2.892 -14.929 1.000 1 A 50.060 1
ATOM 123 H HG21 . ILE 7 7 ? A 7.236 -2.597 -15.097 1.000 1 A 50.060 1
ATOM 124 H HG22 . ILE 7 7 ? A 7.865 -1.421 -16.271 1.000 1 A 50.060 1
ATOM 125 H HG23 . ILE 7 7 ? A 7.039 -2.839 -16.846 1.000 1 A 50.060 1
ATOM 126 H HD11 . ILE 7 7 ? A 5.231 -4.104 -16.951 1.000 1 A 50.060 1
ATOM 127 H HD12 . ILE 7 7 ? A 3.480 -3.891 -16.946 1.000 1 A 50.060 1
ATOM 128 H HD13 . ILE 7 7 ? A 4.481 -2.852 -17.977 1.000 1 A 50.060 1
ATOM 129 N N . ALA 8 8 ? A 6.481 2.011 -14.996 1.000 1 A 47.860 1
ATOM 130 C CA . ALA 8 8 ? A 7.500 3.054 -15.149 1.000 1 A 47.860 1
ATOM 131 C C . ALA 8 8 ? A 8.225 3.462 -13.844 1.000 1 A 47.860 1
ATOM 132 O O . ALA 8 8 ? A 9.010 4.408 -13.867 1.000 1 A 47.860 1
ATOM 133 C CB . ALA 8 8 ? A 6.870 4.246 -15.882 1.000 1 A 47.860 1
ATOM 134 H H . ALA 8 8 ? A 5.507 2.271 -15.065 1.000 1 A 47.860 1
ATOM 135 H HA . ALA 8 8 ? A 8.280 2.657 -15.799 1.000 1 A 47.860 1
ATOM 136 H HB1 . ALA 8 8 ? A 6.102 4.701 -15.257 1.000 1 A 47.860 1
ATOM 137 H HB2 . ALA 8 8 ? A 7.637 4.990 -16.098 1.000 1 A 47.860 1
ATOM 138 H HB3 . ALA 8 8 ? A 6.428 3.913 -16.820 1.000 1 A 47.860 1
ATOM 139 N N . GLN 9 9 ? A 7.994 2.786 -12.712 1.000 1 A 52.560 1
ATOM 140 C CA . GLN 9 9 ? A 8.588 3.169 -11.430 1.000 1 A 52.560 1
ATOM 141 C C . GLN 9 9 ? A 9.846 2.354 -11.069 1.000 1 A 52.560 1
ATOM 142 O O . GLN 9 9 ? A 9.797 1.368 -10.348 1.000 1 A 52.560 1
ATOM 143 C CB . GLN 9 9 ? A 7.513 3.278 -10.333 1.000 1 A 52.560 1
ATOM 144 C CG . GLN 9 9 ? A 6.572 4.467 -10.627 1.000 1 A 52.560 1
ATOM 145 C CD . GLN 9 9 ? A 5.776 4.919 -9.409 1.000 1 A 52.560 1
ATOM 146 O OE1 . GLN 9 9 ? A 4.742 4.375 -9.081 1.000 1 A 52.560 1
ATOM 147 N NE2 . GLN 9 9 ? A 6.196 5.947 -8.700 1.000 1 A 52.560 1
ATOM 148 H H . GLN 9 9 ? A 7.433 1.947 -12.746 1.000 1 A 52.560 1
ATOM 149 H HA . GLN 9 9 ? A 8.958 4.188 -11.547 1.000 1 A 52.560 1
ATOM 150 H HB2 . GLN 9 9 ? A 7.996 3.431 -9.368 1.000 1 A 52.560 1
ATOM 151 H HB3 . GLN 9 9 ? A 6.940 2.353 -10.278 1.000 1 A 52.560 1
ATOM 152 H HG2 . GLN 9 9 ? A 7.145 5.316 -11.000 1.000 1 A 52.560 1
ATOM 153 H HG3 . GLN 9 9 ? A 5.869 4.179 -11.409 1.000 1 A 52.560 1
ATOM 154 H HE21 . GLN 9 9 ? A 5.638 6.158 -7.885 1.000 1 A 52.560 1
ATOM 155 H HE22 . GLN 9 9 ? A 7.081 6.394 -8.889 1.000 1 A 52.560 1
ATOM 156 N N . TYR 10 10 ? A 10.965 2.880 -11.580 1.000 1 A 50.040 1
ATOM 157 C CA . TYR 10 10 ? A 12.249 3.123 -10.902 1.000 1 A 50.040 1
ATOM 158 C C . TYR 10 10 ? A 13.230 1.969 -10.590 1.000 1 A 50.040 1
ATOM 159 O O . TYR 10 10 ? A 13.108 1.220 -9.628 1.000 1 A 50.040 1
ATOM 160 C CB . TYR 10 10 ? A 12.040 4.094 -9.726 1.000 1 A 50.040 1
ATOM 161 C CG . TYR 10 10 ? A 11.432 5.420 -10.163 1.000 1 A 50.040 1
ATOM 162 C CD1 . TYR 10 10 ? A 12.223 6.363 -10.847 1.000 1 A 50.040 1
ATOM 163 C CD2 . TYR 10 10 ? A 10.071 5.693 -9.935 1.000 1 A 50.040 1
ATOM 164 C CE1 . TYR 10 10 ? A 11.647 7.551 -11.338 1.000 1 A 50.040 1
ATOM 165 C CE2 . TYR 10 10 ? A 9.479 6.857 -10.465 1.000 1 A 50.040 1
ATOM 166 C CZ . TYR 10 10 ? A 10.266 7.786 -11.169 1.000 1 A 50.040 1
ATOM 167 O OH . TYR 10 10 ? A 9.690 8.915 -11.660 1.000 1 A 50.040 1
ATOM 168 H H . TYR 10 10 ? A 10.779 3.545 -12.317 1.000 1 A 50.040 1
ATOM 169 H HA . TYR 10 10 ? A 12.792 3.733 -11.623 1.000 1 A 50.040 1
ATOM 170 H HB2 . TYR 10 10 ? A 11.409 3.620 -8.973 1.000 1 A 50.040 1
ATOM 171 H HB3 . TYR 10 10 ? A 13.005 4.298 -9.261 1.000 1 A 50.040 1
ATOM 172 H HD1 . TYR 10 10 ? A 13.273 6.167 -11.006 1.000 1 A 50.040 1
ATOM 173 H HD2 . TYR 10 10 ? A 9.489 5.002 -9.343 1.000 1 A 50.040 1
ATOM 174 H HE1 . TYR 10 10 ? A 12.260 8.269 -11.863 1.000 1 A 50.040 1
ATOM 175 H HE2 . TYR 10 10 ? A 8.433 7.078 -10.315 1.000 1 A 50.040 1
ATOM 176 H HH . TYR 10 10 ? A 10.336 9.482 -12.087 1.000 1 A 50.040 1
ATOM 177 N N . SER 11 11 ? A 14.310 1.993 -11.383 1.000 1 A 50.950 1
ATOM 178 C CA . SER 11 11 ? A 15.731 1.971 -10.985 1.000 1 A 50.950 1
ATOM 179 C C . SER 11 11 ? A 16.346 0.715 -10.346 1.000 1 A 50.950 1
ATOM 180 O O . SER 11 11 ? A 16.176 0.432 -9.168 1.000 1 A 50.950 1
ATOM 181 C CB . SER 11 11 ? A 16.067 3.222 -10.168 1.000 1 A 50.950 1
ATOM 182 O OG . SER 11 11 ? A 15.884 4.379 -10.973 1.000 1 A 50.950 1
ATOM 183 H H . SER 11 11 ? A 14.170 2.525 -12.230 1.000 1 A 50.950 1
ATOM 184 H HA . SER 11 11 ? A 16.281 2.111 -11.916 1.000 1 A 50.950 1
ATOM 185 H HB2 . SER 11 11 ? A 17.108 3.173 -9.848 1.000 1 A 50.950 1
ATOM 186 H HB3 . SER 11 11 ? A 15.431 3.269 -9.283 1.000 1 A 50.950 1
ATOM 187 H HG . SER 11 11 ? A 16.223 5.129 -10.479 1.000 1 A 50.950 1
ATOM 188 N N . PHE 12 12 ? A 17.172 0.042 -11.158 1.000 1 A 52.680 1
ATOM 189 C CA . PHE 12 12 ? A 18.477 -0.556 -10.832 1.000 1 A 52.680 1
ATOM 190 C C . PHE 12 12 ? A 18.680 -0.960 -9.353 1.000 1 A 52.680 1
ATOM 191 O O . PHE 12 12 ? A 19.089 -0.156 -8.523 1.000 1 A 52.680 1
ATOM 192 C CB . PHE 12 12 ? A 19.569 0.414 -11.348 1.000 1 A 52.680 1
ATOM 193 C CG . PHE 12 12 ? A 20.743 -0.244 -12.051 1.000 1 A 52.680 1
ATOM 194 C CD1 . PHE 12 12 ? A 21.954 -0.468 -11.370 1.000 1 A 52.680 1
ATOM 195 C CD2 . PHE 12 12 ? A 20.635 -0.595 -13.412 1.000 1 A 52.680 1
ATOM 196 C CE1 . PHE 12 12 ? A 23.049 -1.037 -12.047 1.000 1 A 52.680 1
ATOM 197 C CE2 . PHE 12 12 ? A 21.728 -1.165 -14.087 1.000 1 A 52.680 1
ATOM 198 C CZ . PHE 12 12 ? A 22.937 -1.384 -13.405 1.000 1 A 52.680 1
ATOM 199 H H . PHE 12 12 ? A 17.061 0.260 -12.138 1.000 1 A 52.680 1
ATOM 200 H HA . PHE 12 12 ? A 18.559 -1.470 -11.420 1.000 1 A 52.680 1
ATOM 201 H HB2 . PHE 12 12 ? A 19.937 1.040 -10.535 1.000 1 A 52.680 1
ATOM 202 H HB3 . PHE 12 12 ? A 19.128 1.103 -12.069 1.000 1 A 52.680 1
ATOM 203 H HD1 . PHE 12 12 ? A 22.047 -0.198 -10.328 1.000 1 A 52.680 1
ATOM 204 H HD2 . PHE 12 12 ? A 19.712 -0.418 -13.945 1.000 1 A 52.680 1
ATOM 205 H HE1 . PHE 12 12 ? A 23.978 -1.206 -11.522 1.000 1 A 52.680 1
ATOM 206 H HE2 . PHE 12 12 ? A 21.644 -1.431 -15.131 1.000 1 A 52.680 1
ATOM 207 H HZ . PHE 12 12 ? A 23.780 -1.819 -13.922 1.000 1 A 52.680 1
ATOM 208 N N . GLY 13 13 ? A 18.415 -2.227 -9.026 1.000 1 A 57.970 1
ATOM 209 C CA . GLY 13 13 ? A 18.735 -2.831 -7.722 1.000 1 A 57.970 1
ATOM 210 C C . GLY 13 13 ? A 17.668 -2.672 -6.634 1.000 1 A 57.970 1
ATOM 211 O O . GLY 13 13 ? A 17.437 -3.626 -5.903 1.000 1 A 57.970 1
ATOM 212 H H . GLY 13 13 ? A 18.024 -2.832 -9.734 1.000 1 A 57.970 1
ATOM 213 H HA2 . GLY 13 13 ? A 18.915 -3.898 -7.859 1.000 1 A 57.970 1
ATOM 214 H HA3 . GLY 13 13 ? A 19.653 -2.386 -7.340 1.000 1 A 57.970 1
ATOM 215 N N . THR 14 14 ? A 16.955 -1.547 -6.584 1.000 1 A 55.110 1
ATOM 216 C CA . THR 14 14 ? A 15.894 -1.266 -5.589 1.000 1 A 55.110 1
ATOM 217 C C . THR 14 14 ? A 14.474 -1.451 -6.131 1.000 1 A 55.110 1
ATOM 218 O O . THR 14 14 ? A 13.505 -1.410 -5.370 1.000 1 A 55.110 1
ATOM 219 C CB . THR 14 14 ? A 16.050 0.151 -5.014 1.000 1 A 55.110 1
ATOM 220 O OG1 . THR 14 14 ? A 16.574 1.042 -5.979 1.000 1 A 55.110 1
ATOM 221 C CG2 . THR 14 14 ? A 17.019 0.175 -3.838 1.000 1 A 55.110 1
ATOM 222 H H . THR 14 14 ? A 17.230 -0.772 -7.171 1.000 1 A 55.110 1
ATOM 223 H HA . THR 14 14 ? A 15.987 -1.964 -4.758 1.000 1 A 55.110 1
ATOM 224 H HB . THR 14 14 ? A 15.088 0.524 -4.664 1.000 1 A 55.110 1
ATOM 225 H HG1 . THR 14 14 ? A 16.979 1.764 -5.493 1.000 1 A 55.110 1
ATOM 226 H HG21 . THR 14 14 ? A 17.999 -0.184 -4.150 1.000 1 A 55.110 1
ATOM 227 H HG22 . THR 14 14 ? A 17.103 1.186 -3.438 1.000 1 A 55.110 1
ATOM 228 H HG23 . THR 14 14 ? A 16.645 -0.478 -3.049 1.000 1 A 55.110 1
ATOM 229 N N . SER 15 15 ? A 14.321 -1.705 -7.437 1.000 1 A 60.660 1
ATOM 230 C CA . SER 15 15 ? A 13.005 -1.886 -8.063 1.000 1 A 60.660 1
ATOM 231 C C . SER 15 15 ? A 12.203 -3.019 -7.427 1.000 1 A 60.660 1
ATOM 232 O O . SER 15 15 ? A 11.015 -2.856 -7.188 1.000 1 A 60.660 1
ATOM 233 C CB . SER 15 15 ? A 13.128 -2.187 -9.559 1.000 1 A 60.660 1
ATOM 234 O OG . SER 15 15 ? A 13.960 -1.251 -10.203 1.000 1 A 60.660 1
ATOM 235 H H . SER 15 15 ? A 15.124 -1.580 -8.038 1.000 1 A 60.660 1
ATOM 236 H HA . SER 15 15 ? A 12.434 -0.965 -7.943 1.000 1 A 60.660 1
ATOM 237 H HB2 . SER 15 15 ? A 13.545 -3.184 -9.701 1.000 1 A 60.660 1
ATOM 238 H HB3 . SER 15 15 ? A 12.135 -2.155 -10.010 1.000 1 A 60.660 1
ATOM 239 H HG . SER 15 15 ? A 13.709 -0.382 -9.884 1.000 1 A 60.660 1
ATOM 240 N N . LEU 16 16 ? A 12.829 -4.163 -7.129 1.000 1 A 66.040 1
ATOM 241 C CA . LEU 16 16 ? A 12.110 -5.318 -6.578 1.000 1 A 66.040 1
ATOM 242 C C . LEU 16 16 ? A 11.567 -5.035 -5.173 1.000 1 A 66.040 1
ATOM 243 O O . LEU 16 16 ? A 10.409 -5.341 -4.899 1.000 1 A 66.040 1
ATOM 244 C CB . LEU 16 16 ? A 13.016 -6.562 -6.587 1.000 1 A 66.040 1
ATOM 245 C CG . LEU 16 16 ? A 13.369 -7.087 -7.991 1.000 1 A 66.040 1
ATOM 246 C CD1 . LEU 16 16 ? A 14.340 -8.260 -7.869 1.000 1 A 66.040 1
ATOM 247 C CD2 . LEU 16 16 ? A 12.138 -7.568 -8.767 1.000 1 A 66.040 1
ATOM 248 H H . LEU 16 16 ? A 13.828 -4.221 -7.262 1.000 1 A 66.040 1
ATOM 249 H HA . LEU 16 16 ? A 11.234 -5.515 -7.197 1.000 1 A 66.040 1
ATOM 250 H HB2 . LEU 16 16 ? A 12.512 -7.358 -6.039 1.000 1 A 66.040 1
ATOM 251 H HB3 . LEU 16 16 ? A 13.936 -6.327 -6.051 1.000 1 A 66.040 1
ATOM 252 H HG . LEU 16 16 ? A 13.858 -6.297 -8.562 1.000 1 A 66.040 1
ATOM 253 H HD11 . LEU 16 16 ? A 14.622 -8.615 -8.860 1.000 1 A 66.040 1
ATOM 254 H HD12 . LEU 16 16 ? A 15.239 -7.940 -7.343 1.000 1 A 66.040 1
ATOM 255 H HD13 . LEU 16 16 ? A 13.876 -9.075 -7.313 1.000 1 A 66.040 1
ATOM 256 H HD21 . LEU 16 16 ? A 11.479 -6.728 -8.987 1.000 1 A 66.040 1
ATOM 257 H HD22 . LEU 16 16 ? A 11.597 -8.311 -8.182 1.000 1 A 66.040 1
ATOM 258 H HD23 . LEU 16 16 ? A 12.450 -8.013 -9.712 1.000 1 A 66.040 1
ATOM 259 N N . GLU 17 17 ? A 12.359 -4.387 -4.319 1.000 1 A 66.000 1
ATOM 260 C CA . GLU 17 17 ? A 11.953 -4.012 -2.960 1.000 1 A 66.000 1
ATOM 261 C C . GLU 17 17 ? A 10.824 -2.972 -2.984 1.000 1 A 66.000 1
ATOM 262 O O . GLU 17 17 ? A 9.842 -3.097 -2.250 1.000 1 A 66.000 1
ATOM 263 C CB . GLU 17 17 ? A 13.164 -3.455 -2.197 1.000 1 A 66.000 1
ATOM 264 C CG . GLU 17 17 ? A 14.288 -4.488 -2.027 1.000 1 A 66.000 1
ATOM 265 C CD . GLU 17 17 ? A 15.528 -3.837 -1.405 1.000 1 A 66.000 1
ATOM 266 O OE1 . GLU 17 17 ? A 15.865 -4.202 -0.257 1.000 1 A 66.000 1
ATOM 267 O OE2 . GLU 17 17 ? A 16.112 -2.966 -2.091 1.000 1 A 66.000 1
ATOM 268 H H . GLU 17 17 ? A 13.296 -4.142 -4.606 1.000 1 A 66.000 1
ATOM 269 H HA . GLU 17 17 ? A 11.584 -4.892 -2.432 1.000 1 A 66.000 1
ATOM 270 H HB2 . GLU 17 17 ? A 13.545 -2.588 -2.737 1.000 1 A 66.000 1
ATOM 271 H HB3 . GLU 17 17 ? A 12.839 -3.127 -1.210 1.000 1 A 66.000 1
ATOM 272 H HG2 . GLU 17 17 ? A 14.561 -4.901 -2.998 1.000 1 A 66.000 1
ATOM 273 H HG3 . GLU 17 17 ? A 13.926 -5.305 -1.403 1.000 1 A 66.000 1
ATOM 274 N N . MET 18 18 ? A 10.908 -1.982 -3.880 1.000 1 A 68.120 1
ATOM 275 C CA . MET 18 18 ? A 9.867 -0.964 -4.045 1.000 1 A 68.120 1
ATOM 276 C C . MET 18 18 ? A 8.580 -1.538 -4.652 1.000 1 A 68.120 1
ATOM 277 O O . MET 18 18 ? A 7.479 -1.178 -4.222 1.000 1 A 68.120 1
ATOM 278 C CB . MET 18 18 ? A 10.422 0.189 -4.893 1.000 1 A 68.120 1
ATOM 279 C CG . MET 18 18 ? A 9.435 1.358 -4.963 1.000 1 A 68.120 1
ATOM 280 S SD . MET 18 18 ? A 10.070 2.816 -5.832 1.000 1 A 68.120 1
ATOM 281 C CE . MET 18 18 ? A 8.597 3.863 -5.738 1.000 1 A 68.120 1
ATOM 282 H H . MET 18 18 ? A 11.746 -1.915 -4.440 1.000 1 A 68.120 1
ATOM 283 H HA . MET 18 18 ? A 9.616 -0.572 -3.059 1.000 1 A 68.120 1
ATOM 284 H HB2 . MET 18 18 ? A 11.349 0.544 -4.442 1.000 1 A 68.120 1
ATOM 285 H HB3 . MET 18 18 ? A 10.639 -0.163 -5.901 1.000 1 A 68.120 1
ATOM 286 H HG2 . MET 18 18 ? A 9.167 1.653 -3.948 1.000 1 A 68.120 1
ATOM 287 H HG3 . MET 18 18 ? A 8.531 1.029 -5.476 1.000 1 A 68.120 1
ATOM 288 H HE1 . MET 18 18 ? A 8.326 4.019 -4.694 1.000 1 A 68.120 1
ATOM 289 H HE2 . MET 18 18 ? A 7.770 3.378 -6.257 1.000 1 A 68.120 1
ATOM 290 H HE3 . MET 18 18 ? A 8.807 4.825 -6.206 1.000 1 A 68.120 1
ATOM 291 N N . ILE 19 19 ? A 8.692 -2.456 -5.617 1.000 1 A 76.930 1
ATOM 292 C CA . ILE 19 19 ? A 7.546 -3.181 -6.180 1.000 1 A 76.930 1
ATOM 293 C C . ILE 19 19 ? A 6.881 -4.010 -5.079 1.000 1 A 76.930 1
ATOM 294 O O . ILE 19 19 ? A 5.660 -3.950 -4.930 1.000 1 A 76.930 1
ATOM 295 C CB . ILE 19 19 ? A 7.981 -4.048 -7.386 1.000 1 A 76.930 1
ATOM 296 C CG1 . ILE 19 19 ? A 8.320 -3.152 -8.602 1.000 1 A 76.930 1
ATOM 297 C CG2 . ILE 19 19 ? A 6.874 -5.038 -7.796 1.000 1 A 76.930 1
ATOM 298 C CD1 . ILE 19 19 ? A 9.124 -3.875 -9.693 1.000 1 A 76.930 1
ATOM 299 H H . ILE 19 19 ? A 9.616 -2.689 -5.951 1.000 1 A 76.930 1
ATOM 300 H HA . ILE 19 19 ? A 6.807 -2.459 -6.527 1.000 1 A 76.930 1
ATOM 301 H HB . ILE 19 19 ? A 8.864 -4.620 -7.103 1.000 1 A 76.930 1
ATOM 302 H HG12 . ILE 19 19 ? A 7.398 -2.768 -9.038 1.000 1 A 76.930 1
ATOM 303 H HG13 . ILE 19 19 ? A 8.893 -2.282 -8.280 1.000 1 A 76.930 1
ATOM 304 H HG21 . ILE 19 19 ? A 6.670 -5.743 -6.990 1.000 1 A 76.930 1
ATOM 305 H HG22 . ILE 19 19 ? A 5.960 -4.496 -8.040 1.000 1 A 76.930 1
ATOM 306 H HG23 . ILE 19 19 ? A 7.188 -5.626 -8.659 1.000 1 A 76.930 1
ATOM 307 H HD11 . ILE 19 19 ? A 9.430 -3.152 -10.448 1.000 1 A 76.930 1
ATOM 308 H HD12 . ILE 19 19 ? A 8.517 -4.642 -10.174 1.000 1 A 76.930 1
ATOM 309 H HD13 . ILE 19 19 ? A 10.014 -4.334 -9.263 1.000 1 A 76.930 1
ATOM 310 N N . GLN 20 20 ? A 7.665 -4.714 -4.260 1.000 1 A 81.070 1
ATOM 311 C CA . GLN 20 20 ? A 7.149 -5.491 -3.138 1.000 1 A 81.070 1
ATOM 312 C C . GLN 20 20 ? A 6.452 -4.595 -2.103 1.000 1 A 81.070 1
ATOM 313 O O . GLN 20 20 ? A 5.326 -4.895 -1.707 1.000 1 A 81.070 1
ATOM 314 C CB . GLN 20 20 ? A 8.292 -6.323 -2.540 1.000 1 A 81.070 1
ATOM 315 C CG . GLN 20 20 ? A 7.800 -7.246 -1.417 1.000 1 A 81.070 1
ATOM 316 C CD . GLN 20 20 ? A 8.879 -8.195 -0.908 1.000 1 A 81.070 1
ATOM 317 O OE1 . GLN 20 20 ? A 9.832 -8.540 -1.580 1.000 1 A 81.070 1
ATOM 318 N NE2 . GLN 20 20 ? A 8.762 -8.679 0.309 1.000 1 A 81.070 1
ATOM 319 H H . GLN 20 20 ? A 8.659 -4.740 -4.438 1.000 1 A 81.070 1
ATOM 320 H HA . GLN 20 20 ? A 6.399 -6.182 -3.525 1.000 1 A 81.070 1
ATOM 321 H HB2 . GLN 20 20 ? A 9.068 -5.665 -2.150 1.000 1 A 81.070 1
ATOM 322 H HB3 . GLN 20 20 ? A 8.721 -6.934 -3.334 1.000 1 A 81.070 1
ATOM 323 H HG2 . GLN 20 20 ? A 7.464 -6.629 -0.583 1.000 1 A 81.070 1
ATOM 324 H HG3 . GLN 20 20 ? A 6.959 -7.841 -1.770 1.000 1 A 81.070 1
ATOM 325 H HE21 . GLN 20 20 ? A 9.518 -9.281 0.605 1.000 1 A 81.070 1
ATOM 326 H HE22 . GLN 20 20 ? A 8.000 -8.405 0.912 1.000 1 A 81.070 1
ATOM 327 N N . ALA 21 21 ? A 7.046 -3.460 -1.722 1.000 1 A 82.020 1
ATOM 328 C CA . ALA 21 21 ? A 6.414 -2.496 -0.818 1.000 1 A 82.020 1
ATOM 329 C C . ALA 21 21 ? A 5.099 -1.936 -1.391 1.000 1 A 82.020 1
ATOM 330 O O . ALA 21 21 ? A 4.110 -1.790 -0.668 1.000 1 A 82.020 1
ATOM 331 C CB . ALA 21 21 ? A 7.412 -1.370 -0.529 1.000 1 A 82.020 1
ATOM 332 H H . ALA 21 21 ? A 7.989 -3.278 -2.035 1.000 1 A 82.020 1
ATOM 333 H HA . ALA 21 21 ? A 6.180 -2.999 0.121 1.000 1 A 82.020 1
ATOM 334 H HB1 . ALA 21 21 ? A 8.324 -1.782 -0.100 1.000 1 A 82.020 1
ATOM 335 H HB2 . ALA 21 21 ? A 6.974 -0.666 0.179 1.000 1 A 82.020 1
ATOM 336 H HB3 . ALA 21 21 ? A 7.659 -0.841 -1.450 1.000 1 A 82.020 1
ATOM 337 N N . THR 22 22 ? A 5.058 -1.675 -2.699 1.000 1 A 85.260 1
ATOM 338 C CA . THR 22 22 ? A 3.858 -1.194 -3.398 1.000 1 A 85.260 1
ATOM 339 C C . THR 22 22 ? A 2.754 -2.252 -3.408 1.000 1 A 85.260 1
ATOM 340 O O . THR 22 22 ? A 1.612 -1.944 -3.065 1.000 1 A 85.260 1
ATOM 341 C CB . THR 22 22 ? A 4.194 -0.762 -4.833 1.000 1 A 85.260 1
ATOM 342 O OG1 . THR 22 22 ? A 5.192 0.232 -4.817 1.000 1 A 85.260 1
ATOM 343 C CG2 . THR 22 22 ? A 2.983 -0.166 -5.552 1.000 1 A 85.260 1
ATOM 344 H H . THR 22 22 ? A 5.913 -1.787 -3.227 1.000 1 A 85.260 1
ATOM 345 H HA . THR 22 22 ? A 3.473 -0.322 -2.869 1.000 1 A 85.260 1
ATOM 346 H HB . THR 22 22 ? A 4.562 -1.616 -5.401 1.000 1 A 85.260 1
ATOM 347 H HG1 . THR 22 22 ? A 6.027 -0.192 -4.608 1.000 1 A 85.260 1
ATOM 348 H HG21 . THR 22 22 ? A 2.531 0.611 -4.935 1.000 1 A 85.260 1
ATOM 349 H HG22 . THR 22 22 ? A 2.248 -0.943 -5.757 1.000 1 A 85.260 1
ATOM 350 H HG23 . THR 22 22 ? A 3.304 0.269 -6.499 1.000 1 A 85.260 1
ATOM 351 N N . MET 23 23 ? A 3.084 -3.506 -3.738 1.000 1 A 84.220 1
ATOM 352 C CA . MET 23 23 ? A 2.134 -4.626 -3.719 1.000 1 A 84.220 1
ATOM 353 C C . MET 23 23 ? A 1.575 -4.871 -2.314 1.000 1 A 84.220 1
ATOM 354 O O . MET 23 23 ? A 0.364 -5.024 -2.157 1.000 1 A 84.220 1
ATOM 355 C CB . MET 23 23 ? A 2.806 -5.908 -4.234 1.000 1 A 84.220 1
ATOM 356 C CG . MET 23 23 ? A 3.032 -5.898 -5.748 1.000 1 A 84.220 1
ATOM 357 S SD . MET 23 23 ? A 3.697 -7.466 -6.370 1.000 1 A 84.220 1
ATOM 358 C CE . MET 23 23 ? A 3.746 -7.109 -8.144 1.000 1 A 84.220 1
ATOM 359 H H . MET 23 23 ? A 4.040 -3.698 -4.000 1.000 1 A 84.220 1
ATOM 360 H HA . MET 23 23 ? A 1.287 -4.389 -4.363 1.000 1 A 84.220 1
ATOM 361 H HB2 . MET 23 23 ? A 3.760 -6.055 -3.727 1.000 1 A 84.220 1
ATOM 362 H HB3 . MET 23 23 ? A 2.162 -6.756 -4.000 1.000 1 A 84.220 1
ATOM 363 H HG2 . MET 23 23 ? A 3.720 -5.094 -6.011 1.000 1 A 84.220 1
ATOM 364 H HG3 . MET 23 23 ? A 2.079 -5.710 -6.243 1.000 1 A 84.220 1
ATOM 365 H HE1 . MET 23 23 ? A 4.175 -7.961 -8.671 1.000 1 A 84.220 1
ATOM 366 H HE2 . MET 23 23 ? A 4.359 -6.226 -8.326 1.000 1 A 84.220 1
ATOM 367 H HE3 . MET 23 23 ? A 2.735 -6.929 -8.510 1.000 1 A 84.220 1
ATOM 368 N N . ILE 24 24 ? A 2.436 -4.848 -1.290 1.000 1 A 89.160 1
ATOM 369 C CA . ILE 24 24 ? A 2.031 -4.997 0.115 1.000 1 A 89.160 1
ATOM 370 C C . ILE 24 24 ? A 1.107 -3.851 0.533 1.000 1 A 89.160 1
ATOM 371 O O . ILE 24 24 ? A 0.069 -4.091 1.144 1.000 1 A 89.160 1
ATOM 372 C CB . ILE 24 24 ? A 3.277 -5.087 1.029 1.000 1 A 89.160 1
ATOM 373 C CG1 . ILE 24 24 ? A 4.015 -6.425 0.798 1.000 1 A 89.160 1
ATOM 374 C CG2 . ILE 24 24 ? A 2.891 -4.958 2.516 1.000 1 A 89.160 1
ATOM 375 C CD1 . ILE 24 24 ? A 5.412 -6.474 1.433 1.000 1 A 89.160 1
ATOM 376 H H . ILE 24 24 ? A 3.420 -4.745 -1.495 1.000 1 A 89.160 1
ATOM 377 H HA . ILE 24 24 ? A 1.460 -5.919 0.222 1.000 1 A 89.160 1
ATOM 378 H HB . ILE 24 24 ? A 3.949 -4.265 0.780 1.000 1 A 89.160 1
ATOM 379 H HG12 . ILE 24 24 ? A 3.416 -7.243 1.198 1.000 1 A 89.160 1
ATOM 380 H HG13 . ILE 24 24 ? A 4.133 -6.606 -0.270 1.000 1 A 89.160 1
ATOM 381 H HG21 . ILE 24 24 ? A 3.765 -5.082 3.156 1.000 1 A 89.160 1
ATOM 382 H HG22 . ILE 24 24 ? A 2.494 -3.964 2.719 1.000 1 A 89.160 1
ATOM 383 H HG23 . ILE 24 24 ? A 2.146 -5.709 2.777 1.000 1 A 89.160 1
ATOM 384 H HD11 . ILE 24 24 ? A 5.345 -6.473 2.521 1.000 1 A 89.160 1
ATOM 385 H HD12 . ILE 24 24 ? A 6.003 -5.620 1.103 1.000 1 A 89.160 1
ATOM 386 H HD13 . ILE 24 24 ? A 5.908 -7.395 1.127 1.000 1 A 89.160 1
ATOM 387 N N . THR 25 25 ? A 1.448 -2.609 0.183 1.000 1 A 87.990 1
ATOM 388 C CA . THR 25 25 ? A 0.627 -1.436 0.520 1.000 1 A 87.990 1
ATOM 389 C C . THR 25 25 ? A -0.746 -1.525 -0.136 1.000 1 A 87.990 1
ATOM 390 O O . THR 25 25 ? A -1.757 -1.356 0.541 1.000 1 A 87.990 1
ATOM 391 C CB . THR 25 25 ? A 1.325 -0.134 0.110 1.000 1 A 87.990 1
ATOM 392 O OG1 . THR 25 25 ? A 2.564 -0.040 0.771 1.000 1 A 87.990 1
ATOM 393 C CG2 . THR 25 25 ? A 0.521 1.109 0.493 1.000 1 A 87.990 1
ATOM 394 H H . THR 25 25 ? A 2.319 -2.468 -0.308 1.000 1 A 87.990 1
ATOM 395 H HA . THR 25 25 ? A 0.472 -1.411 1.598 1.000 1 A 87.990 1
ATOM 396 H HB . THR 25 25 ? A 1.500 -0.130 -0.966 1.000 1 A 87.990 1
ATOM 397 H HG1 . THR 25 25 ? A 3.184 -0.614 0.316 1.000 1 A 87.990 1
ATOM 398 H HG21 . THR 25 25 ? A -0.396 1.164 -0.094 1.000 1 A 87.990 1
ATOM 399 H HG22 . THR 25 25 ? A 1.117 1.999 0.291 1.000 1 A 87.990 1
ATOM 400 H HG23 . THR 25 25 ? A 0.269 1.078 1.553 1.000 1 A 87.990 1
ATOM 401 N N . MET 26 26 ? A -0.796 -1.868 -1.426 1.000 1 A 89.940 1
ATOM 402 C CA . MET 26 26 ? A -2.051 -2.060 -2.153 1.000 1 A 89.940 1
ATOM 403 C C . MET 26 26 ? A -2.907 -3.158 -1.512 1.000 1 A 89.940 1
ATOM 404 O O . MET 26 26 ? A -4.102 -2.953 -1.300 1.000 1 A 89.940 1
ATOM 405 C CB . MET 26 26 ? A -1.729 -2.376 -3.620 1.000 1 A 89.940 1
ATOM 406 C CG . MET 26 26 ? A -2.992 -2.504 -4.475 1.000 1 A 89.940 1
ATOM 407 S SD . MET 26 26 ? A -2.649 -2.770 -6.234 1.000 1 A 89.940 1
ATOM 408 C CE . MET 26 26 ? A -4.343 -3.024 -6.821 1.000 1 A 89.940 1
ATOM 409 H H . MET 26 26 ? A 0.071 -2.007 -1.924 1.000 1 A 89.940 1
ATOM 410 H HA . MET 26 26 ? A -2.622 -1.132 -2.110 1.000 1 A 89.940 1
ATOM 411 H HB2 . MET 26 26 ? A -1.162 -3.305 -3.683 1.000 1 A 89.940 1
ATOM 412 H HB3 . MET 26 26 ? A -1.116 -1.571 -4.027 1.000 1 A 89.940 1
ATOM 413 H HG2 . MET 26 26 ? A -3.587 -1.597 -4.368 1.000 1 A 89.940 1
ATOM 414 H HG3 . MET 26 26 ? A -3.580 -3.346 -4.111 1.000 1 A 89.940 1
ATOM 415 H HE1 . MET 26 26 ? A -4.333 -3.181 -7.899 1.000 1 A 89.940 1
ATOM 416 H HE2 . MET 26 26 ? A -4.770 -3.901 -6.333 1.000 1 A 89.940 1
ATOM 417 H HE3 . MET 26 26 ? A -4.949 -2.149 -6.585 1.000 1 A 89.940 1
ATOM 418 N N . TYR 27 27 ? A -2.300 -4.293 -1.156 1.000 1 A 88.500 1
ATOM 419 C CA . TYR 27 27 ? A -2.998 -5.383 -0.480 1.000 1 A 88.500 1
ATOM 420 C C . TYR 27 27 ? A -3.550 -4.949 0.883 1.000 1 A 88.500 1
ATOM 421 O O . TYR 27 27 ? A -4.734 -5.143 1.153 1.000 1 A 88.500 1
ATOM 422 C CB . TYR 27 27 ? A -2.058 -6.585 -0.345 1.000 1 A 88.500 1
ATOM 423 C CG . TYR 27 27 ? A -2.744 -7.799 0.243 1.000 1 A 88.500 1
ATOM 424 C CD1 . TYR 27 27 ? A -2.591 -8.112 1.608 1.000 1 A 88.500 1
ATOM 425 C CD2 . TYR 27 27 ? A -3.570 -8.593 -0.576 1.000 1 A 88.500 1
ATOM 426 C CE1 . TYR 27 27 ? A -3.253 -9.230 2.151 1.000 1 A 88.500 1
ATOM 427 C CE2 . TYR 27 27 ? A -4.242 -9.703 -0.032 1.000 1 A 88.500 1
ATOM 428 C CZ . TYR 27 27 ? A -4.085 -10.023 1.331 1.000 1 A 88.500 1
ATOM 429 O OH . TYR 27 27 ? A -4.743 -11.092 1.849 1.000 1 A 88.500 1
ATOM 430 H H . TYR 27 27 ? A -1.319 -4.411 -1.365 1.000 1 A 88.500 1
ATOM 431 H HA . TYR 27 27 ? A -3.850 -5.684 -1.091 1.000 1 A 88.500 1
ATOM 432 H HB2 . TYR 27 27 ? A -1.677 -6.847 -1.332 1.000 1 A 88.500 1
ATOM 433 H HB3 . TYR 27 27 ? A -1.204 -6.315 0.276 1.000 1 A 88.500 1
ATOM 434 H HD1 . TYR 27 27 ? A -1.974 -7.492 2.242 1.000 1 A 88.500 1
ATOM 435 H HD2 . TYR 27 27 ? A -3.696 -8.345 -1.619 1.000 1 A 88.500 1
ATOM 436 H HE1 . TYR 27 27 ? A -3.136 -9.467 3.199 1.000 1 A 88.500 1
ATOM 437 H HE2 . TYR 27 27 ? A -4.886 -10.316 -0.646 1.000 1 A 88.500 1
ATOM 438 H HH . TYR 27 27 ? A -4.577 -11.194 2.789 1.000 1 A 88.500 1
ATOM 439 N N . ASN 28 28 ? A -2.737 -4.287 1.709 1.000 1 A 88.050 1
ATOM 440 C CA . ASN 28 28 ? A -3.165 -3.785 3.014 1.000 1 A 88.050 1
ATOM 441 C C . ASN 28 28 ? A -4.321 -2.786 2.893 1.000 1 A 88.050 1
ATOM 442 O O . ASN 28 28 ? A -5.287 -2.889 3.644 1.000 1 A 88.050 1
ATOM 443 C CB . ASN 28 28 ? A -1.964 -3.157 3.740 1.000 1 A 88.050 1
ATOM 444 C CG . ASN 28 28 ? A -1.032 -4.194 4.335 1.000 1 A 88.050 1
ATOM 445 O OD1 . ASN 28 28 ? A -1.423 -5.272 4.745 1.000 1 A 88.050 1
ATOM 446 N ND2 . ASN 28 28 ? A 0.240 -3.891 4.442 1.000 1 A 88.050 1
ATOM 447 H H . ASN 28 28 ? A -1.775 -4.153 1.431 1.000 1 A 88.050 1
ATOM 448 H HA . ASN 28 28 ? A -3.543 -4.618 3.606 1.000 1 A 88.050 1
ATOM 449 H HB2 . ASN 28 28 ? A -2.325 -2.547 4.568 1.000 1 A 88.050 1
ATOM 450 H HB3 . ASN 28 28 ? A -1.414 -2.511 3.056 1.000 1 A 88.050 1
ATOM 451 H HD21 . ASN 28 28 ? A 0.589 -3.013 4.084 1.000 1 A 88.050 1
ATOM 452 H HD22 . ASN 28 28 ? A 0.830 -4.602 4.851 1.000 1 A 88.050 1
ATOM 453 N N . SER 29 29 ? A -4.276 -1.862 1.929 1.000 1 A 90.430 1
ATOM 454 C CA . SER 29 29 ? A -5.378 -0.920 1.699 1.000 1 A 90.430 1
ATOM 455 C C . SER 29 29 ? A -6.681 -1.627 1.315 1.000 1 A 90.430 1
ATOM 456 O O . SER 29 29 ? A -7.744 -1.236 1.793 1.000 1 A 90.430 1
ATOM 457 C CB . SER 29 29 ? A -5.008 0.089 0.610 1.000 1 A 90.430 1
ATOM 458 O OG . SER 29 29 ? A -3.895 0.869 0.999 1.000 1 A 90.430 1
ATOM 459 H H . SER 29 29 ? A -3.450 -1.787 1.353 1.000 1 A 90.430 1
ATOM 460 H HA . SER 29 29 ? A -5.573 -0.377 2.624 1.000 1 A 90.430 1
ATOM 461 H HB2 . SER 29 29 ? A -5.858 0.749 0.434 1.000 1 A 90.430 1
ATOM 462 H HB3 . SER 29 29 ? A -4.775 -0.438 -0.316 1.000 1 A 90.430 1
ATOM 463 H HG . SER 29 29 ? A -4.003 1.129 1.917 1.000 1 A 90.430 1
ATOM 464 N N . ILE 30 30 ? A -6.613 -2.683 0.498 1.000 1 A 94.350 1
ATOM 465 C CA . ILE 30 30 ? A -7.787 -3.482 0.113 1.000 1 A 94.350 1
ATOM 466 C C . ILE 30 30 ? A -8.342 -4.246 1.320 1.000 1 A 94.350 1
ATOM 467 O O . ILE 30 30 ? A -9.546 -4.219 1.564 1.000 1 A 94.350 1
ATOM 468 C CB . ILE 30 30 ? A -7.434 -4.434 -1.053 1.000 1 A 94.350 1
ATOM 469 C CG1 . ILE 30 30 ? A -7.129 -3.628 -2.336 1.000 1 A 94.350 1
ATOM 470 C CG2 . ILE 30 30 ? A -8.581 -5.426 -1.330 1.000 1 A 94.350 1
ATOM 471 C CD1 . ILE 30 30 ? A -6.399 -4.444 -3.412 1.000 1 A 94.350 1
ATOM 472 H H . ILE 30 30 ? A -5.708 -2.961 0.144 1.000 1 A 94.350 1
ATOM 473 H HA . ILE 30 30 ? A -8.577 -2.808 -0.222 1.000 1 A 94.350 1
ATOM 474 H HB . ILE 30 30 ? A -6.547 -5.006 -0.779 1.000 1 A 94.350 1
ATOM 475 H HG12 . ILE 30 30 ? A -6.504 -2.767 -2.099 1.000 1 A 94.350 1
ATOM 476 H HG13 . ILE 30 30 ? A -8.060 -3.242 -2.751 1.000 1 A 94.350 1
ATOM 477 H HG21 . ILE 30 30 ? A -8.351 -6.054 -2.190 1.000 1 A 94.350 1
ATOM 478 H HG22 . ILE 30 30 ? A -9.507 -4.882 -1.517 1.000 1 A 94.350 1
ATOM 479 H HG23 . ILE 30 30 ? A -8.723 -6.092 -0.479 1.000 1 A 94.350 1
ATOM 480 H HD11 . ILE 30 30 ? A -6.136 -3.785 -4.239 1.000 1 A 94.350 1
ATOM 481 H HD12 . ILE 30 30 ? A -7.037 -5.241 -3.794 1.000 1 A 94.350 1
ATOM 482 H HD13 . ILE 30 30 ? A -5.487 -4.872 -2.997 1.000 1 A 94.350 1
ATOM 483 N N . VAL 31 31 ? A -7.478 -4.903 2.094 1.000 1 A 93.810 1
ATOM 484 C CA . VAL 31 31 ? A -7.891 -5.671 3.277 1.000 1 A 93.810 1
ATOM 485 C C . VAL 31 31 ? A -8.543 -4.762 4.318 1.000 1 A 93.810 1
ATOM 486 O O . VAL 31 31 ? A -9.635 -5.072 4.787 1.000 1 A 93.810 1
ATOM 487 C CB . VAL 31 31 ? A -6.694 -6.445 3.858 1.000 1 A 93.810 1
ATOM 488 C CG1 . VAL 31 31 ? A -7.015 -7.102 5.202 1.000 1 A 93.810 1
ATOM 489 C CG2 . VAL 31 31 ? A -6.278 -7.571 2.905 1.000 1 A 93.810 1
ATOM 490 H H . VAL 31 31 ? A -6.501 -4.896 1.840 1.000 1 A 93.810 1
ATOM 491 H HA . VAL 31 31 ? A -8.649 -6.395 2.979 1.000 1 A 93.810 1
ATOM 492 H HB . VAL 31 31 ? A -5.852 -5.766 3.996 1.000 1 A 93.810 1
ATOM 493 H HG11 . VAL 31 31 ? A -7.911 -7.715 5.105 1.000 1 A 93.810 1
ATOM 494 H HG12 . VAL 31 31 ? A -7.168 -6.340 5.966 1.000 1 A 93.810 1
ATOM 495 H HG13 . VAL 31 31 ? A -6.181 -7.728 5.521 1.000 1 A 93.810 1
ATOM 496 H HG21 . VAL 31 31 ? A -7.092 -8.285 2.785 1.000 1 A 93.810 1
ATOM 497 H HG22 . VAL 31 31 ? A -6.012 -7.175 1.925 1.000 1 A 93.810 1
ATOM 498 H HG23 . VAL 31 31 ? A -5.408 -8.085 3.315 1.000 1 A 93.810 1
ATOM 499 N N . ILE 32 32 ? A -7.934 -3.613 4.629 1.000 1 A 94.740 1
ATOM 500 C CA . ILE 32 32 ? A -8.508 -2.627 5.558 1.000 1 A 94.740 1
ATOM 501 C C . ILE 32 32 ? A -9.878 -2.158 5.063 1.000 1 A 94.740 1
ATOM 502 O O . ILE 32 32 ? A -10.816 -2.100 5.852 1.000 1 A 94.740 1
ATOM 503 C CB . ILE 32 32 ? A -7.542 -1.436 5.753 1.000 1 A 94.740 1
ATOM 504 C CG1 . ILE 32 32 ? A -6.286 -1.895 6.529 1.000 1 A 94.740 1
ATOM 505 C CG2 . ILE 32 32 ? A -8.220 -0.274 6.509 1.000 1 A 94.740 1
ATOM 506 C CD1 . ILE 32 32 ? A -5.127 -0.891 6.464 1.000 1 A 94.740 1
ATOM 507 H H . ILE 32 32 ? A -7.043 -3.406 4.200 1.000 1 A 94.740 1
ATOM 508 H HA . ILE 32 32 ? A -8.669 -3.103 6.525 1.000 1 A 94.740 1
ATOM 509 H HB . ILE 32 32 ? A -7.239 -1.073 4.771 1.000 1 A 94.740 1
ATOM 510 H HG12 . ILE 32 32 ? A -6.548 -2.070 7.572 1.000 1 A 94.740 1
ATOM 511 H HG13 . ILE 32 32 ? A -5.923 -2.839 6.125 1.000 1 A 94.740 1
ATOM 512 H HG21 . ILE 32 32 ? A -7.516 0.540 6.683 1.000 1 A 94.740 1
ATOM 513 H HG22 . ILE 32 32 ? A -9.046 0.136 5.929 1.000 1 A 94.740 1
ATOM 514 H HG23 . ILE 32 32 ? A -8.606 -0.624 7.466 1.000 1 A 94.740 1
ATOM 515 H HD11 . ILE 32 32 ? A -4.901 -0.649 5.425 1.000 1 A 94.740 1
ATOM 516 H HD12 . ILE 32 32 ? A -4.243 -1.336 6.921 1.000 1 A 94.740 1
ATOM 517 H HD13 . ILE 32 32 ? A -5.374 0.021 7.007 1.000 1 A 94.740 1
ATOM 518 N N . PHE 33 33 ? A -10.025 -1.881 3.764 1.000 1 A 92.180 1
ATOM 519 C CA . PHE 33 33 ? A -11.318 -1.503 3.200 1.000 1 A 92.180 1
ATOM 520 C C . PHE 33 33 ? A -12.385 -2.573 3.466 1.000 1 A 92.180 1
ATOM 521 O O . PHE 33 33 ? A -13.468 -2.231 3.930 1.000 1 A 92.180 1
ATOM 522 C CB . PHE 33 33 ? A -11.167 -1.206 1.703 1.000 1 A 92.180 1
ATOM 523 C CG . PHE 33 33 ? A -12.459 -0.779 1.040 1.000 1 A 92.180 1
ATOM 524 C CD1 . PHE 33 33 ? A -13.278 -1.731 0.403 1.000 1 A 92.180 1
ATOM 525 C CD2 . PHE 33 33 ? A -12.858 0.570 1.085 1.000 1 A 92.180 1
ATOM 526 C CE1 . PHE 33 33 ? A -14.491 -1.333 -0.187 1.000 1 A 92.180 1
ATOM 527 C CE2 . PHE 33 33 ? A -14.069 0.968 0.492 1.000 1 A 92.180 1
ATOM 528 C CZ . PHE 33 33 ? A -14.886 0.016 -0.143 1.000 1 A 92.180 1
ATOM 529 H H . PHE 33 33 ? A -9.226 -1.947 3.148 1.000 1 A 92.180 1
ATOM 530 H HA . PHE 33 33 ? A -11.654 -0.593 3.695 1.000 1 A 92.180 1
ATOM 531 H HB2 . PHE 33 33 ? A -10.430 -0.413 1.575 1.000 1 A 92.180 1
ATOM 532 H HB3 . PHE 33 33 ? A -10.789 -2.090 1.189 1.000 1 A 92.180 1
ATOM 533 H HD1 . PHE 33 33 ? A -12.987 -2.771 0.381 1.000 1 A 92.180 1
ATOM 534 H HD2 . PHE 33 33 ? A -12.237 1.299 1.585 1.000 1 A 92.180 1
ATOM 535 H HE1 . PHE 33 33 ? A -15.130 -2.068 -0.655 1.000 1 A 92.180 1
ATOM 536 H HE2 . PHE 33 33 ? A -14.380 2.001 0.536 1.000 1 A 92.180 1
ATOM 537 H HZ . PHE 33 33 ? A -15.827 0.316 -0.580 1.000 1 A 92.180 1
ATOM 538 N N . PHE 34 34 ? A -12.094 -3.859 3.253 1.000 1 A 91.470 1
ATOM 539 C CA . PHE 34 34 ? A -13.056 -4.925 3.558 1.000 1 A 91.470 1
ATOM 540 C C . PHE 34 34 ? A -13.388 -5.024 5.050 1.000 1 A 91.470 1
ATOM 541 O O . PHE 34 34 ? A -14.562 -5.134 5.388 1.000 1 A 91.470 1
ATOM 542 C CB . PHE 34 34 ? A -12.557 -6.270 3.018 1.000 1 A 91.470 1
ATOM 543 C CG . PHE 34 34 ? A -12.892 -6.479 1.557 1.000 1 A 91.470 1
ATOM 544 C CD1 . PHE 34 34 ? A -14.218 -6.774 1.186 1.000 1 A 91.470 1
ATOM 545 C CD2 . PHE 34 34 ? A -11.897 -6.379 0.570 1.000 1 A 91.470 1
ATOM 546 C CE1 . PHE 34 34 ? A -14.545 -6.966 -0.167 1.000 1 A 91.470 1
ATOM 547 C CE2 . PHE 34 34 ? A -12.224 -6.567 -0.784 1.000 1 A 91.470 1
ATOM 548 C CZ . PHE 34 34 ? A -13.549 -6.861 -1.152 1.000 1 A 91.470 1
ATOM 549 H H . PHE 34 34 ? A -11.182 -4.103 2.894 1.000 1 A 91.470 1
ATOM 550 H HA . PHE 34 34 ? A -13.998 -4.691 3.063 1.000 1 A 91.470 1
ATOM 551 H HB2 . PHE 34 34 ? A -13.036 -7.073 3.578 1.000 1 A 91.470 1
ATOM 552 H HB3 . PHE 34 34 ? A -11.482 -6.362 3.177 1.000 1 A 91.470 1
ATOM 553 H HD1 . PHE 34 34 ? A -14.985 -6.850 1.943 1.000 1 A 91.470 1
ATOM 554 H HD2 . PHE 34 34 ? A -10.876 -6.167 0.854 1.000 1 A 91.470 1
ATOM 555 H HE1 . PHE 34 34 ? A -15.564 -7.192 -0.446 1.000 1 A 91.470 1
ATOM 556 H HE2 . PHE 34 34 ? A -11.456 -6.494 -1.540 1.000 1 A 91.470 1
ATOM 557 H HZ . PHE 34 34 ? A -13.802 -7.008 -2.192 1.000 1 A 91.470 1
ATOM 558 N N . PHE 35 35 ? A -12.394 -4.933 5.937 1.000 1 A 92.370 1
ATOM 559 C CA . PHE 35 35 ? A -12.624 -4.981 7.386 1.000 1 A 92.370 1
ATOM 560 C C . PHE 35 35 ? A -13.393 -3.775 7.927 1.000 1 A 92.370 1
ATOM 561 O O . PHE 35 35 ? A -14.097 -3.916 8.914 1.000 1 A 92.370 1
ATOM 562 C CB . PHE 35 35 ? A -11.289 -5.121 8.128 1.000 1 A 92.370 1
ATOM 563 C CG . PHE 35 35 ? A -10.841 -6.557 8.284 1.000 1 A 92.370 1
ATOM 564 C CD1 . PHE 35 35 ? A -11.445 -7.371 9.259 1.000 1 A 92.370 1
ATOM 565 C CD2 . PHE 35 35 ? A -9.828 -7.085 7.468 1.000 1 A 92.370 1
ATOM 566 C CE1 . PHE 35 35 ? A -11.032 -8.706 9.417 1.000 1 A 92.370 1
ATOM 567 C CE2 . PHE 35 35 ? A -9.418 -8.421 7.619 1.000 1 A 92.370 1
ATOM 568 C CZ . PHE 35 35 ? A -10.020 -9.231 8.596 1.000 1 A 92.370 1
ATOM 569 H H . PHE 35 35 ? A -11.447 -4.838 5.598 1.000 1 A 92.370 1
ATOM 570 H HA . PHE 35 35 ? A -13.241 -5.850 7.617 1.000 1 A 92.370 1
ATOM 571 H HB2 . PHE 35 35 ? A -10.520 -4.535 7.625 1.000 1 A 92.370 1
ATOM 572 H HB3 . PHE 35 35 ? A -11.397 -4.710 9.132 1.000 1 A 92.370 1
ATOM 573 H HD1 . PHE 35 35 ? A -12.233 -6.972 9.882 1.000 1 A 92.370 1
ATOM 574 H HD2 . PHE 35 35 ? A -9.358 -6.457 6.725 1.000 1 A 92.370 1
ATOM 575 H HE1 . PHE 35 35 ? A -11.504 -9.327 10.164 1.000 1 A 92.370 1
ATOM 576 H HE2 . PHE 35 35 ? A -8.639 -8.827 6.992 1.000 1 A 92.370 1
ATOM 577 H HZ . PHE 35 35 ? A -9.710 -10.259 8.714 1.000 1 A 92.370 1
ATOM 578 N N . CYS 36 36 ? A -13.276 -2.602 7.307 1.000 1 A 90.360 1
ATOM 579 C CA . CYS 36 36 ? A -14.068 -1.434 7.693 1.000 1 A 90.360 1
ATOM 580 C C . CYS 36 36 ? A -15.510 -1.470 7.158 1.000 1 A 90.360 1
ATOM 581 O O . CYS 36 36 ? A -16.339 -0.705 7.642 1.000 1 A 90.360 1
ATOM 582 C CB . CYS 36 36 ? A -13.355 -0.164 7.210 1.000 1 A 90.360 1
ATOM 583 S SG . CYS 36 36 ? A -11.837 0.131 8.165 1.000 1 A 90.360 1
ATOM 584 H H . CYS 36 36 ? A -12.593 -2.505 6.569 1.000 1 A 90.360 1
ATOM 585 H HA . CYS 36 36 ? A -14.156 -1.402 8.779 1.000 1 A 90.360 1
ATOM 586 H HB2 . CYS 36 36 ? A -13.119 -0.254 6.150 1.000 1 A 90.360 1
ATOM 587 H HB3 . CYS 36 36 ? A -14.026 0.684 7.349 1.000 1 A 90.360 1
ATOM 588 H HG . CYS 36 36 ? A -12.394 -0.024 9.369 1.000 1 A 90.360 1
ATOM 589 N N . ASN 37 37 ? A -15.794 -2.294 6.142 1.000 1 A 73.980 1
ATOM 590 C CA . ASN 37 37 ? A -17.136 -2.466 5.573 1.000 1 A 73.980 1
ATOM 591 C C . ASN 37 37 ? A -17.866 -3.720 6.106 1.000 1 A 73.980 1
ATOM 592 O O . ASN 37 37 ? A -19.004 -3.959 5.700 1.000 1 A 73.980 1
ATOM 593 C CB . ASN 37 37 ? A -17.052 -2.463 4.033 1.000 1 A 73.980 1
ATOM 594 C CG . ASN 37 37 ? A -16.822 -1.091 3.426 1.000 1 A 73.980 1
ATOM 595 O OD1 . ASN 37 37 ? A -17.729 -0.314 3.185 1.000 1 A 73.980 1
ATOM 596 N ND2 . ASN 37 37 ? A -15.604 -0.748 3.097 1.000 1 A 73.980 1
ATOM 597 H H . ASN 37 37 ? A -15.068 -2.917 5.819 1.000 1 A 73.980 1
ATOM 598 H HA . ASN 37 37 ? A -17.764 -1.628 5.875 1.000 1 A 73.980 1
ATOM 599 H HB2 . ASN 37 37 ? A -16.270 -3.150 3.709 1.000 1 A 73.980 1
ATOM 600 H HB3 . ASN 37 37 ? A -17.998 -2.821 3.629 1.000 1 A 73.980 1
ATOM 601 H HD21 . ASN 37 37 ? A -14.837 -1.354 3.353 1.000 1 A 73.980 1
ATOM 602 H HD22 . ASN 37 37 ? A -15.477 0.147 2.647 1.000 1 A 73.980 1
ATOM 603 N N . VAL 38 38 ? A -17.225 -4.511 6.977 1.000 1 A 64.250 1
ATOM 604 C CA . VAL 38 38 ? A -17.835 -5.585 7.786 1.000 1 A 64.250 1
ATOM 605 C C . VAL 38 38 ? A -18.134 -5.050 9.179 1.000 1 A 64.250 1
ATOM 606 O O . VAL 38 38 ? A -19.221 -5.386 9.696 1.000 1 A 64.250 1
ATOM 607 C CB . VAL 38 38 ? A -16.936 -6.842 7.787 1.000 1 A 64.250 1
ATOM 608 C CG1 . VAL 38 38 ? A -16.616 -7.429 9.168 1.000 1 A 64.250 1
ATOM 609 C CG2 . VAL 38 38 ? A -17.610 -7.937 6.952 1.000 1 A 64.250 1
ATOM 610 O OXT . VAL 38 38 ? A -17.261 -4.321 9.692 1.000 1 A 64.250 1
ATOM 611 H H . VAL 38 38 ? A -16.338 -4.180 7.330 1.000 1 A 64.250 1
ATOM 612 H HA . VAL 38 38 ? A -18.815 -5.837 7.380 1.000 1 A 64.250 1
ATOM 613 H HB . VAL 38 38 ? A -15.984 -6.598 7.315 1.000 1 A 64.250 1
ATOM 614 H HG11 . VAL 38 38 ? A -16.065 -6.693 9.754 1.000 1 A 64.250 1
ATOM 615 H HG12 . VAL 38 38 ? A -15.999 -8.321 9.062 1.000 1 A 64.250 1
ATOM 616 H HG13 . VAL 38 38 ? A -17.539 -7.680 9.690 1.000 1 A 64.250 1
ATOM 617 H HG21 . VAL 38 38 ? A -17.804 -7.552 5.951 1.000 1 A 64.250 1
ATOM 618 H HG22 . VAL 38 38 ? A -18.554 -8.222 7.417 1.000 1 A 64.250 1
ATOM 619 H HG23 . VAL 38 38 ? A -16.957 -8.806 6.881 1.000 1 A 64.250 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 70.634

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 38.270
2 1 A 2 ILE 2 46.150
3 1 A 3 LYS 2 49.050
4 1 A 4 ASN 2 44.960
5 1 A 5 ARG 2 44.800
6 1 A 6 CYS 2 51.750
7 1 A 7 ILE 2 50.060
8 1 A 8 ALA 2 47.860
9 1 A 9 GLN 2 52.560
10 1 A 10 TYR 2 50.040
11 1 A 11 SER 2 50.950
12 1 A 12 PHE 2 52.680
13 1 A 13 GLY 2 57.970
14 1 A 14 THR 2 55.110
15 1 A 15 SER 2 60.660
16 1 A 16 LEU 2 66.040
17 1 A 17 GLU 2 66.000
18 1 A 18 MET 2 68.120
19 1 A 19 ILE 2 76.930
20 1 A 20 GLN 2 81.070
21 1 A 21 ALA 2 82.020
22 1 A 22 THR 2 85.260
23 1 A 23 MET 2 84.220
24 1 A 24 ILE 2 89.160
25 1 A 25 THR 2 87.990
26 1 A 26 MET 2 89.940
27 1 A 27 TYR 2 88.500
28 1 A 28 ASN 2 88.050
29 1 A 29 SER 2 90.430
30 1 A 30 ILE 2 94.350
31 1 A 31 VAL 2 93.810
32 1 A 32 ILE 2 94.740
33 1 A 33 PHE 2 92.180
34 1 A 34 PHE 2 91.470
35 1 A 35 PHE 2 92.370
36 1 A 36 CYS 2 90.360
37 1 A 37 ASN 2 73.980
38 1 A 38 VAL 2 64.250

_database_2.database_id ModelArchive
_database_2.database_code ma-asfv-asfvg-022
_database_2.pdbx_DOI 10.5452/ma-asfv-asfvg-022

_pdbx_database_status.entry_id ma-asfv-asfvg-022
_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'