data_ma-asfv-asfvg-017
_entry.id ma-asfv-asfvg-017
_entry.ma_collection_id ma-asfv-asfvg

_struct.entry_id ma-asfv-asfvg-017
_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 00270'

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

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

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

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

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

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

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

loop_
_chem_comp.id
_chem_comp.type
_chem_comp.name
_chem_comp.formula
_chem_comp.formula_weight
_chem_comp.ma_provenance
ALA 'L-peptide linking' ALANINE 'C3 H7 N O2' 89.094 'CCD Core'
ARG 'L-peptide linking' ARGININE 'C6 H15 N4 O2 1' 175.212 'CCD Core'
ASN 'L-peptide linking' ASPARAGINE 'C4 H8 N2 O3' 132.119 'CCD Core'
ASP 'L-peptide linking' 'ASPARTIC ACID' 'C4 H7 N O4' 133.103 'CCD Core'
CYS 'L-peptide linking' CYSTEINE 'C3 H7 N O2 S' 121.154 'CCD Core'
GLN 'L-peptide linking' GLUTAMINE 'C5 H10 N2 O3' 146.146 'CCD Core'
GLY 'peptide linking' GLYCINE 'C2 H5 N O2' 75.067 'CCD Core'
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'
PRO 'L-peptide linking' PROLINE 'C5 H9 N O2' 115.132 '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 00270 protein' 5128.757 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 . A0A2X0RVJ0_ASF A0A2X0RVJ0 . 1 37 10497 'African swine fever virus (ASFV)' 2018-09-12 9879A1CBA0D463A8
1 NCBI . CAD2068363.1 1886136888 . 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 MVYNFNTLYDVGADPRNNIRNFKVVFLCYIQNLNFFL MVYNFNTLYDVGADPRNNIRNFKVVFLCYIQNLNFFL

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

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

loop_
_ma_data.id
_ma_data.name
_ma_data.content_type
_ma_data.content_type_other_details
1 'ASFV-G ASFV G ACD 00270 protein' target .
2 'Model 3 (top ranked model)' 'model coordinates' .
3 BFD 'reference database' .
4 MGnify 'reference database' .
5 Uniclust30 'reference database' .
8 UniRef90 'reference database' .
9 PDB70 'reference database' .

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

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

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

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

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

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

loop_
_atom_site.group_PDB
_atom_site.id
_atom_site.type_symbol
_atom_site.label_atom_id
_atom_site.label_alt_id
_atom_site.label_comp_id
_atom_site.label_seq_id
_atom_site.auth_seq_id
_atom_site.pdbx_PDB_ins_code
_atom_site.label_asym_id
_atom_site.Cartn_x
_atom_site.Cartn_y
_atom_site.Cartn_z
_atom_site.occupancy
_atom_site.label_entity_id
_atom_site.auth_asym_id
_atom_site.B_iso_or_equiv
_atom_site.pdbx_PDB_model_num
ATOM 1 N N . MET 1 1 ? A -9.667 1.048 -9.741 1.000 1 A 42.400 1
ATOM 2 C CA . MET 1 1 ? A -8.606 1.579 -10.621 1.000 1 A 42.400 1
ATOM 3 C C . MET 1 1 ? A -7.319 0.911 -10.177 1.000 1 A 42.400 1
ATOM 4 O O . MET 1 1 ? A -6.853 1.196 -9.085 1.000 1 A 42.400 1
ATOM 5 C CB . MET 1 1 ? A -8.570 3.113 -10.510 1.000 1 A 42.400 1
ATOM 6 C CG . MET 1 1 ? A -7.820 3.819 -11.642 1.000 1 A 42.400 1
ATOM 7 S SD . MET 1 1 ? A -8.063 5.613 -11.559 1.000 1 A 42.400 1
ATOM 8 C CE . MET 1 1 ? A -7.327 6.144 -13.129 1.000 1 A 42.400 1
ATOM 9 H H . MET 1 1 ? A -9.739 0.045 -9.836 1.000 1 A 42.400 1
ATOM 10 H H2 . MET 1 1 ? A -10.555 1.474 -9.963 1.000 1 A 42.400 1
ATOM 11 H HA . MET 1 1 ? A -8.813 1.306 -11.655 1.000 1 A 42.400 1
ATOM 12 H HB2 . MET 1 1 ? A -9.598 3.474 -10.542 1.000 1 A 42.400 1
ATOM 13 H HB3 . MET 1 1 ? A -8.147 3.415 -9.552 1.000 1 A 42.400 1
ATOM 14 H HG2 . MET 1 1 ? A -8.199 3.462 -12.599 1.000 1 A 42.400 1
ATOM 15 H HG3 . MET 1 1 ? A -6.755 3.595 -11.576 1.000 1 A 42.400 1
ATOM 16 H HE1 . MET 1 1 ? A -7.392 7.229 -13.209 1.000 1 A 42.400 1
ATOM 17 H HE2 . MET 1 1 ? A -6.279 5.845 -13.165 1.000 1 A 42.400 1
ATOM 18 H HE3 . MET 1 1 ? A -7.864 5.691 -13.962 1.000 1 A 42.400 1
ATOM 19 H H3 . MET 1 1 ? A -9.431 1.261 -8.782 1.000 1 A 42.400 1
ATOM 20 N N . VAL 2 2 ? A -6.864 -0.107 -10.909 1.000 1 A 43.880 1
ATOM 21 C CA . VAL 2 2 ? A -5.671 -0.883 -10.542 1.000 1 A 43.880 1
ATOM 22 C C . VAL 2 2 ? A -4.488 0.080 -10.556 1.000 1 A 43.880 1
ATOM 23 O O . VAL 2 2 ? A -4.161 0.621 -11.610 1.000 1 A 43.880 1
ATOM 24 C CB . VAL 2 2 ? A -5.465 -2.058 -11.525 1.000 1 A 43.880 1
ATOM 25 C CG1 . VAL 2 2 ? A -4.216 -2.882 -11.196 1.000 1 A 43.880 1
ATOM 26 C CG2 . VAL 2 2 ? A -6.678 -3.002 -11.501 1.000 1 A 43.880 1
ATOM 27 H H . VAL 2 2 ? A -7.256 -0.295 -11.821 1.000 1 A 43.880 1
ATOM 28 H HA . VAL 2 2 ? A -5.784 -1.288 -9.536 1.000 1 A 43.880 1
ATOM 29 H HB . VAL 2 2 ? A -5.363 -1.666 -12.537 1.000 1 A 43.880 1
ATOM 30 H HG11 . VAL 2 2 ? A -4.275 -3.275 -10.181 1.000 1 A 43.880 1
ATOM 31 H HG12 . VAL 2 2 ? A -4.123 -3.713 -11.895 1.000 1 A 43.880 1
ATOM 32 H HG13 . VAL 2 2 ? A -3.321 -2.266 -11.287 1.000 1 A 43.880 1
ATOM 33 H HG21 . VAL 2 2 ? A -7.577 -2.492 -11.847 1.000 1 A 43.880 1
ATOM 34 H HG22 . VAL 2 2 ? A -6.838 -3.385 -10.493 1.000 1 A 43.880 1
ATOM 35 H HG23 . VAL 2 2 ? A -6.497 -3.845 -12.169 1.000 1 A 43.880 1
ATOM 36 N N . TYR 3 3 ? A -3.901 0.361 -9.392 1.000 1 A 52.950 1
ATOM 37 C CA . TYR 3 3 ? A -2.661 1.125 -9.320 1.000 1 A 52.950 1
ATOM 38 C C . TYR 3 3 ? A -1.618 0.343 -10.111 1.000 1 A 52.950 1
ATOM 39 O O . TYR 3 3 ? A -1.278 -0.785 -9.759 1.000 1 A 52.950 1
ATOM 40 C CB . TYR 3 3 ? A -2.242 1.351 -7.862 1.000 1 A 52.950 1
ATOM 41 C CG . TYR 3 3 ? A -3.172 2.287 -7.113 1.000 1 A 52.950 1
ATOM 42 C CD1 . TYR 3 3 ? A -2.996 3.682 -7.212 1.000 1 A 52.950 1
ATOM 43 C CD2 . TYR 3 3 ? A -4.222 1.766 -6.332 1.000 1 A 52.950 1
ATOM 44 C CE1 . TYR 3 3 ? A -3.871 4.557 -6.538 1.000 1 A 52.950 1
ATOM 45 C CE2 . TYR 3 3 ? A -5.102 2.637 -5.663 1.000 1 A 52.950 1
ATOM 46 C CZ . TYR 3 3 ? A -4.930 4.032 -5.765 1.000 1 A 52.950 1
ATOM 47 O OH . TYR 3 3 ? A -5.784 4.861 -5.112 1.000 1 A 52.950 1
ATOM 48 H H . TYR 3 3 ? A -4.256 -0.048 -8.540 1.000 1 A 52.950 1
ATOM 49 H HA . TYR 3 3 ? A -2.808 2.098 -9.790 1.000 1 A 52.950 1
ATOM 50 H HB2 . TYR 3 3 ? A -1.239 1.778 -7.849 1.000 1 A 52.950 1
ATOM 51 H HB3 . TYR 3 3 ? A -2.193 0.393 -7.344 1.000 1 A 52.950 1
ATOM 52 H HD1 . TYR 3 3 ? A -2.184 4.083 -7.801 1.000 1 A 52.950 1
ATOM 53 H HD2 . TYR 3 3 ? A -4.347 0.698 -6.233 1.000 1 A 52.950 1
ATOM 54 H HE1 . TYR 3 3 ? A -3.729 5.625 -6.610 1.000 1 A 52.950 1
ATOM 55 H HE2 . TYR 3 3 ? A -5.905 2.249 -5.054 1.000 1 A 52.950 1
ATOM 56 H HH . TYR 3 3 ? A -5.550 5.787 -5.217 1.000 1 A 52.950 1
ATOM 57 N N . ASN 4 4 ? A -1.194 0.903 -11.240 1.000 1 A 50.830 1
ATOM 58 C CA . ASN 4 4 ? A -0.194 0.286 -12.088 1.000 1 A 50.830 1
ATOM 59 C C . ASN 4 4 ? A 1.111 0.261 -11.282 1.000 1 A 50.830 1
ATOM 60 O O . ASN 4 4 ? A 1.750 1.296 -11.102 1.000 1 A 50.830 1
ATOM 61 C CB . ASN 4 4 ? A -0.135 1.076 -13.412 1.000 1 A 50.830 1
ATOM 62 C CG . ASN 4 4 ? A 0.568 0.338 -14.535 1.000 1 A 50.830 1
ATOM 63 O OD1 . ASN 4 4 ? A 1.040 -0.776 -14.392 1.000 1 A 50.830 1
ATOM 64 N ND2 . ASN 4 4 ? A 0.641 0.929 -15.705 1.000 1 A 50.830 1
ATOM 65 H H . ASN 4 4 ? A -1.575 1.797 -11.517 1.000 1 A 50.830 1
ATOM 66 H HA . ASN 4 4 ? A -0.497 -0.739 -12.303 1.000 1 A 50.830 1
ATOM 67 H HB2 . ASN 4 4 ? A -1.151 1.273 -13.753 1.000 1 A 50.830 1
ATOM 68 H HB3 . ASN 4 4 ? A 0.364 2.031 -13.251 1.000 1 A 50.830 1
ATOM 69 H HD21 . ASN 4 4 ? A 1.118 0.438 -16.447 1.000 1 A 50.830 1
ATOM 70 H HD22 . ASN 4 4 ? A 0.306 1.875 -15.825 1.000 1 A 50.830 1
ATOM 71 N N . PHE 5 5 ? A 1.466 -0.906 -10.737 1.000 1 A 57.870 1
ATOM 72 C CA . PHE 5 5 ? A 2.679 -1.111 -9.936 1.000 1 A 57.870 1
ATOM 73 C C . PHE 5 5 ? A 3.936 -0.599 -10.660 1.000 1 A 57.870 1
ATOM 74 O O . PHE 5 5 ? A 4.880 -0.157 -10.012 1.000 1 A 57.870 1
ATOM 75 C CB . PHE 5 5 ? A 2.799 -2.606 -9.592 1.000 1 A 57.870 1
ATOM 76 C CG . PHE 5 5 ? A 1.903 -3.063 -8.451 1.000 1 A 57.870 1
ATOM 77 C CD1 . PHE 5 5 ? A 2.395 -3.033 -7.132 1.000 1 A 57.870 1
ATOM 78 C CD2 . PHE 5 5 ? A 0.593 -3.526 -8.691 1.000 1 A 57.870 1
ATOM 79 C CE1 . PHE 5 5 ? A 1.590 -3.464 -6.062 1.000 1 A 57.870 1
ATOM 80 C CE2 . PHE 5 5 ? A -0.213 -3.954 -7.619 1.000 1 A 57.870 1
ATOM 81 C CZ . PHE 5 5 ? A 0.286 -3.927 -6.305 1.000 1 A 57.870 1
ATOM 82 H H . PHE 5 5 ? A 0.811 -1.673 -10.798 1.000 1 A 57.870 1
ATOM 83 H HA . PHE 5 5 ? A 2.597 -0.546 -9.008 1.000 1 A 57.870 1
ATOM 84 H HB2 . PHE 5 5 ? A 3.830 -2.810 -9.303 1.000 1 A 57.870 1
ATOM 85 H HB3 . PHE 5 5 ? A 2.598 -3.206 -10.479 1.000 1 A 57.870 1
ATOM 86 H HD1 . PHE 5 5 ? A 3.399 -2.685 -6.938 1.000 1 A 57.870 1
ATOM 87 H HD2 . PHE 5 5 ? A 0.203 -3.555 -9.697 1.000 1 A 57.870 1
ATOM 88 H HE1 . PHE 5 5 ? A 1.978 -3.447 -5.054 1.000 1 A 57.870 1
ATOM 89 H HE2 . PHE 5 5 ? A -1.215 -4.309 -7.809 1.000 1 A 57.870 1
ATOM 90 H HZ . PHE 5 5 ? A -0.330 -4.264 -5.485 1.000 1 A 57.870 1
ATOM 91 N N . ASN 6 6 ? A 3.902 -0.561 -11.995 1.000 1 A 51.010 1
ATOM 92 C CA . ASN 6 6 ? A 4.968 -0.046 -12.847 1.000 1 A 51.010 1
ATOM 93 C C . ASN 6 6 ? A 5.293 1.440 -12.589 1.000 1 A 51.010 1
ATOM 94 O O . ASN 6 6 ? A 6.464 1.787 -12.481 1.000 1 A 51.010 1
ATOM 95 C CB . ASN 6 6 ? A 4.568 -0.325 -14.305 1.000 1 A 51.010 1
ATOM 96 C CG . ASN 6 6 ? A 4.410 -1.814 -14.577 1.000 1 A 51.010 1
ATOM 97 O OD1 . ASN 6 6 ? A 5.206 -2.640 -14.174 1.000 1 A 51.010 1
ATOM 98 N ND2 . ASN 6 6 ? A 3.339 -2.234 -15.206 1.000 1 A 51.010 1
ATOM 99 H H . ASN 6 6 ? A 3.089 -0.948 -12.453 1.000 1 A 51.010 1
ATOM 100 H HA . ASN 6 6 ? A 5.882 -0.600 -12.637 1.000 1 A 51.010 1
ATOM 101 H HB2 . ASN 6 6 ? A 3.644 0.202 -14.545 1.000 1 A 51.010 1
ATOM 102 H HB3 . ASN 6 6 ? A 5.350 0.049 -14.965 1.000 1 A 51.010 1
ATOM 103 H HD21 . ASN 6 6 ? A 3.291 -3.230 -15.367 1.000 1 A 51.010 1
ATOM 104 H HD22 . ASN 6 6 ? A 2.546 -1.619 -15.319 1.000 1 A 51.010 1
ATOM 105 N N . THR 7 7 ? A 4.300 2.313 -12.367 1.000 1 A 59.350 1
ATOM 106 C CA . THR 7 7 ? A 4.562 3.749 -12.140 1.000 1 A 59.350 1
ATOM 107 C C . THR 7 7 ? A 5.193 4.034 -10.777 1.000 1 A 59.350 1
ATOM 108 O O . THR 7 7 ? A 5.894 5.028 -10.624 1.000 1 A 59.350 1
ATOM 109 C CB . THR 7 7 ? A 3.299 4.624 -12.282 1.000 1 A 59.350 1
ATOM 110 O OG1 . THR 7 7 ? A 2.172 3.925 -12.765 1.000 1 A 59.350 1
ATOM 111 C CG2 . THR 7 7 ? A 3.527 5.774 -13.261 1.000 1 A 59.350 1
ATOM 112 H H . THR 7 7 ? A 3.337 2.008 -12.385 1.000 1 A 59.350 1
ATOM 113 H HA . THR 7 7 ? A 5.290 4.071 -12.885 1.000 1 A 59.350 1
ATOM 114 H HB . THR 7 7 ? A 3.036 5.046 -11.312 1.000 1 A 59.350 1
ATOM 115 H HG1 . THR 7 7 ? A 1.513 4.592 -12.969 1.000 1 A 59.350 1
ATOM 116 H HG21 . THR 7 7 ? A 4.353 6.391 -12.907 1.000 1 A 59.350 1
ATOM 117 H HG22 . THR 7 7 ? A 2.633 6.392 -13.335 1.000 1 A 59.350 1
ATOM 118 H HG23 . THR 7 7 ? A 3.782 5.377 -14.244 1.000 1 A 59.350 1
ATOM 119 N N . LEU 8 8 ? A 4.964 3.177 -9.774 1.000 1 A 56.650 1
ATOM 120 C CA . LEU 8 8 ? A 5.611 3.314 -8.465 1.000 1 A 56.650 1
ATOM 121 C C . LEU 8 8 ? A 7.097 2.924 -8.541 1.000 1 A 56.650 1
ATOM 122 O O . LEU 8 8 ? A 7.932 3.559 -7.896 1.000 1 A 56.650 1
ATOM 123 C CB . LEU 8 8 ? A 4.850 2.463 -7.432 1.000 1 A 56.650 1
ATOM 124 C CG . LEU 8 8 ? A 5.209 2.803 -5.971 1.000 1 A 56.650 1
ATOM 125 C CD1 . LEU 8 8 ? A 4.572 4.123 -5.521 1.000 1 A 56.650 1
ATOM 126 C CD2 . LEU 8 8 ? A 4.710 1.700 -5.037 1.000 1 A 56.650 1
ATOM 127 H H . LEU 8 8 ? A 4.422 2.347 -9.969 1.000 1 A 56.650 1
ATOM 128 H HA . LEU 8 8 ? A 5.568 4.363 -8.171 1.000 1 A 56.650 1
ATOM 129 H HB2 . LEU 8 8 ? A 5.078 1.414 -7.622 1.000 1 A 56.650 1
ATOM 130 H HB3 . LEU 8 8 ? A 3.777 2.599 -7.569 1.000 1 A 56.650 1
ATOM 131 H HG . LEU 8 8 ? A 6.291 2.872 -5.858 1.000 1 A 56.650 1
ATOM 132 H HD11 . LEU 8 8 ? A 4.965 4.945 -6.119 1.000 1 A 56.650 1
ATOM 133 H HD12 . LEU 8 8 ? A 4.819 4.311 -4.476 1.000 1 A 56.650 1
ATOM 134 H HD13 . LEU 8 8 ? A 3.489 4.075 -5.636 1.000 1 A 56.650 1
ATOM 135 H HD21 . LEU 8 8 ? A 3.630 1.585 -5.132 1.000 1 A 56.650 1
ATOM 136 H HD22 . LEU 8 8 ? A 4.964 1.945 -4.006 1.000 1 A 56.650 1
ATOM 137 H HD23 . LEU 8 8 ? A 5.195 0.759 -5.297 1.000 1 A 56.650 1
ATOM 138 N N . TYR 9 9 ? A 7.422 1.907 -9.346 1.000 1 A 55.500 1
ATOM 139 C CA . TYR 9 9 ? A 8.801 1.471 -9.572 1.000 1 A 55.500 1
ATOM 140 C C . TYR 9 9 ? A 9.593 2.446 -10.457 1.000 1 A 55.500 1
ATOM 141 O O . TYR 9 9 ? A 10.756 2.698 -10.149 1.000 1 A 55.500 1
ATOM 142 C CB . TYR 9 9 ? A 8.819 0.033 -10.113 1.000 1 A 55.500 1
ATOM 143 C CG . TYR 9 9 ? A 8.828 -1.021 -9.017 1.000 1 A 55.500 1
ATOM 144 C CD1 . TYR 9 9 ? A 10.038 -1.335 -8.368 1.000 1 A 55.500 1
ATOM 145 C CD2 . TYR 9 9 ? A 7.644 -1.686 -8.642 1.000 1 A 55.500 1
ATOM 146 C CE1 . TYR 9 9 ? A 10.070 -2.309 -7.352 1.000 1 A 55.500 1
ATOM 147 C CE2 . TYR 9 9 ? A 7.667 -2.656 -7.621 1.000 1 A 55.500 1
ATOM 148 C CZ . TYR 9 9 ? A 8.880 -2.971 -6.976 1.000 1 A 55.500 1
ATOM 149 O OH . TYR 9 9 ? A 8.902 -3.913 -5.997 1.000 1 A 55.500 1
ATOM 150 H H . TYR 9 9 ? A 6.691 1.440 -9.863 1.000 1 A 55.500 1
ATOM 151 H HA . TYR 9 9 ? A 9.318 1.463 -8.612 1.000 1 A 55.500 1
ATOM 152 H HB2 . TYR 9 9 ? A 7.973 -0.125 -10.782 1.000 1 A 55.500 1
ATOM 153 H HB3 . TYR 9 9 ? A 9.723 -0.104 -10.707 1.000 1 A 55.500 1
ATOM 154 H HD1 . TYR 9 9 ? A 10.946 -0.829 -8.663 1.000 1 A 55.500 1
ATOM 155 H HD2 . TYR 9 9 ? A 6.719 -1.461 -9.152 1.000 1 A 55.500 1
ATOM 156 H HE1 . TYR 9 9 ? A 11.004 -2.551 -6.868 1.000 1 A 55.500 1
ATOM 157 H HE2 . TYR 9 9 ? A 6.765 -3.176 -7.336 1.000 1 A 55.500 1
ATOM 158 H HH . TYR 9 9 ? A 9.793 -4.068 -5.677 1.000 1 A 55.500 1
ATOM 159 N N . ASP 10 10 ? A 8.977 3.070 -11.467 1.000 1 A 52.250 1
ATOM 160 C CA . ASP 10 10 ? A 9.665 4.027 -12.355 1.000 1 A 52.250 1
ATOM 161 C C . ASP 10 10 ? A 10.078 5.340 -11.661 1.000 1 A 52.250 1
ATOM 162 O O . ASP 10 10 ? A 11.083 5.949 -12.023 1.000 1 A 52.250 1
ATOM 163 C CB . ASP 10 10 ? A 8.795 4.324 -13.590 1.000 1 A 52.250 1
ATOM 164 C CG . ASP 10 10 ? A 8.913 3.269 -14.697 1.000 1 A 52.250 1
ATOM 165 O OD1 . ASP 10 10 ? A 10.015 2.698 -14.852 1.000 1 A 52.250 1
ATOM 166 O OD2 . ASP 10 10 ? A 7.898 3.074 -15.405 1.000 1 A 52.250 1
ATOM 167 H H . ASP 10 10 ? A 8.064 2.746 -11.754 1.000 1 A 52.250 1
ATOM 168 H HA . ASP 10 10 ? A 10.596 3.573 -12.697 1.000 1 A 52.250 1
ATOM 169 H HB2 . ASP 10 10 ? A 7.755 4.436 -13.283 1.000 1 A 52.250 1
ATOM 170 H HB3 . ASP 10 10 ? A 9.112 5.275 -14.019 1.000 1 A 52.250 1
ATOM 171 N N . VAL 11 11 ? A 9.384 5.760 -10.594 1.000 1 A 58.790 1
ATOM 172 C CA . VAL 11 11 ? A 9.804 6.913 -9.757 1.000 1 A 58.790 1
ATOM 173 C C . VAL 11 11 ? A 10.962 6.537 -8.806 1.000 1 A 58.790 1
ATOM 174 O O . VAL 11 11 ? A 11.476 7.364 -8.052 1.000 1 A 58.790 1
ATOM 175 C CB . VAL 11 11 ? A 8.586 7.557 -9.053 1.000 1 A 58.790 1
ATOM 176 C CG1 . VAL 11 11 ? A 8.914 8.851 -8.286 1.000 1 A 58.790 1
ATOM 177 C CG2 . VAL 11 11 ? A 7.514 7.969 -10.075 1.000 1 A 58.790 1
ATOM 178 H H . VAL 11 11 ? A 8.548 5.248 -10.349 1.000 1 A 58.790 1
ATOM 179 H HA . VAL 11 11 ? A 10.212 7.670 -10.427 1.000 1 A 58.790 1
ATOM 180 H HB . VAL 11 11 ? A 8.145 6.832 -8.369 1.000 1 A 58.790 1
ATOM 181 H HG11 . VAL 11 11 ? A 9.504 8.626 -7.398 1.000 1 A 58.790 1
ATOM 182 H HG12 . VAL 11 11 ? A 9.473 9.533 -8.926 1.000 1 A 58.790 1
ATOM 183 H HG13 . VAL 11 11 ? A 7.996 9.333 -7.951 1.000 1 A 58.790 1
ATOM 184 H HG21 . VAL 11 11 ? A 6.630 8.346 -9.561 1.000 1 A 58.790 1
ATOM 185 H HG22 . VAL 11 11 ? A 7.908 8.738 -10.739 1.000 1 A 58.790 1
ATOM 186 H HG23 . VAL 11 11 ? A 7.210 7.118 -10.685 1.000 1 A 58.790 1
ATOM 187 N N . GLY 12 12 ? A 11.440 5.288 -8.871 1.000 1 A 55.970 1
ATOM 188 C CA . GLY 12 12 ? A 12.558 4.745 -8.095 1.000 1 A 55.970 1
ATOM 189 C C . GLY 12 12 ? A 13.923 5.405 -8.325 1.000 1 A 55.970 1
ATOM 190 O O . GLY 12 12 ? A 14.871 5.040 -7.634 1.000 1 A 55.970 1
ATOM 191 H H . GLY 12 12 ? A 11.029 4.668 -9.554 1.000 1 A 55.970 1
ATOM 192 H HA2 . GLY 12 12 ? A 12.326 4.837 -7.034 1.000 1 A 55.970 1
ATOM 193 H HA3 . GLY 12 12 ? A 12.659 3.687 -8.337 1.000 1 A 55.970 1
ATOM 194 N N . ALA 13 13 ? A 14.035 6.392 -9.220 1.000 1 A 63.040 1
ATOM 195 C CA . ALA 13 13 ? A 15.223 7.243 -9.308 1.000 1 A 63.040 1
ATOM 196 C C . ALA 13 13 ? A 15.418 8.104 -8.041 1.000 1 A 63.040 1
ATOM 197 O O . ALA 13 13 ? A 16.551 8.327 -7.620 1.000 1 A 63.040 1
ATOM 198 C CB . ALA 13 13 ? A 15.115 8.100 -10.573 1.000 1 A 63.040 1
ATOM 199 H H . ALA 13 13 ? A 13.232 6.627 -9.785 1.000 1 A 63.040 1
ATOM 200 H HA . ALA 13 13 ? A 16.103 6.606 -9.403 1.000 1 A 63.040 1
ATOM 201 H HB1 . ALA 13 13 ? A 16.015 8.705 -10.680 1.000 1 A 63.040 1
ATOM 202 H HB2 . ALA 13 13 ? A 15.010 7.461 -11.450 1.000 1 A 63.040 1
ATOM 203 H HB3 . ALA 13 13 ? A 14.252 8.763 -10.503 1.000 1 A 63.040 1
ATOM 204 N N . ASP 14 14 ? A 14.327 8.505 -7.375 1.000 1 A 64.530 1
ATOM 205 C CA . ASP 14 14 ? A 14.361 9.259 -6.119 1.000 1 A 64.530 1
ATOM 206 C C . ASP 14 14 ? A 13.725 8.443 -4.980 1.000 1 A 64.530 1
ATOM 207 O O . ASP 14 14 ? A 12.557 8.657 -4.621 1.000 1 A 64.530 1
ATOM 208 C CB . ASP 14 14 ? A 13.686 10.622 -6.285 1.000 1 A 64.530 1
ATOM 209 C CG . ASP 14 14 ? A 14.559 11.599 -7.063 1.000 1 A 64.530 1
ATOM 210 O OD1 . ASP 14 14 ? A 15.652 11.911 -6.540 1.000 1 A 64.530 1
ATOM 211 O OD2 . ASP 14 14 ? A 14.063 12.098 -8.093 1.000 1 A 64.530 1
ATOM 212 H H . ASP 14 14 ? A 13.424 8.271 -7.762 1.000 1 A 64.530 1
ATOM 213 H HA . ASP 14 14 ? A 15.395 9.479 -5.853 1.000 1 A 64.530 1
ATOM 214 H HB2 . ASP 14 14 ? A 13.511 11.050 -5.298 1.000 1 A 64.530 1
ATOM 215 H HB3 . ASP 14 14 ? A 12.719 10.498 -6.772 1.000 1 A 64.530 1
ATOM 216 N N . PRO 15 15 ? A 14.478 7.530 -4.331 1.000 1 A 64.610 1
ATOM 217 C CA . PRO 15 15 ? A 13.955 6.672 -3.263 1.000 1 A 64.610 1
ATOM 218 C C . PRO 15 15 ? A 13.301 7.471 -2.127 1.000 1 A 64.610 1
ATOM 219 O O . PRO 15 15 ? A 12.389 6.996 -1.454 1.000 1 A 64.610 1
ATOM 220 C CB . PRO 15 15 ? A 15.160 5.855 -2.775 1.000 1 A 64.610 1
ATOM 221 C CG . PRO 15 15 ? A 16.381 6.654 -3.233 1.000 1 A 64.610 1
ATOM 222 C CD . PRO 15 15 ? A 15.900 7.283 -4.533 1.000 1 A 64.610 1
ATOM 223 H HA . PRO 15 15 ? A 13.208 5.995 -3.679 1.000 1 A 64.610 1
ATOM 224 H HB2 . PRO 15 15 ? A 15.157 5.712 -1.695 1.000 1 A 64.610 1
ATOM 225 H HB3 . PRO 15 15 ? A 15.160 4.888 -3.278 1.000 1 A 64.610 1
ATOM 226 H HG2 . PRO 15 15 ? A 17.249 6.014 -3.393 1.000 1 A 64.610 1
ATOM 227 H HG3 . PRO 15 15 ? A 16.605 7.435 -2.507 1.000 1 A 64.610 1
ATOM 228 H HD2 . PRO 15 15 ? A 16.468 8.193 -4.723 1.000 1 A 64.610 1
ATOM 229 H HD3 . PRO 15 15 ? A 16.031 6.583 -5.359 1.000 1 A 64.610 1
ATOM 230 N N . ARG 16 16 ? A 13.703 8.730 -1.938 1.000 1 A 74.440 1
ATOM 231 C CA . ARG 16 16 ? A 13.151 9.622 -0.916 1.000 1 A 74.440 1
ATOM 232 C C . ARG 16 16 ? A 11.688 10.003 -1.159 1.000 1 A 74.440 1
ATOM 233 O O . ARG 16 16 ? A 10.936 10.131 -0.190 1.000 1 A 74.440 1
ATOM 234 C CB . ARG 16 16 ? A 14.059 10.853 -0.839 1.000 1 A 74.440 1
ATOM 235 C CG . ARG 16 16 ? A 13.914 11.560 0.511 1.000 1 A 74.440 1
ATOM 236 C CD . ARG 16 16 ? A 15.035 12.589 0.682 1.000 1 A 74.440 1
ATOM 237 N NE . ARG 16 16 ? A 15.242 12.918 2.105 1.000 1 A 74.440 1
ATOM 238 C CZ . ARG 16 16 ? A 16.358 13.392 2.634 1.000 1 A 74.440 1
ATOM 239 N NH1 . ARG 16 16 ? A 17.397 13.696 1.908 1.000 1 A 74.440 1
ATOM 240 N NH2 . ARG 16 16 ? A 16.453 13.571 3.922 1.000 1 A 74.440 1
ATOM 241 H H . ARG 16 16 ? A 14.401 9.083 -2.579 1.000 1 A 74.440 1
ATOM 242 H HA . ARG 16 16 ? A 13.176 9.085 0.032 1.000 1 A 74.440 1
ATOM 243 H HB2 . ARG 16 16 ? A 15.093 10.524 -0.942 1.000 1 A 74.440 1
ATOM 244 H HB3 . ARG 16 16 ? A 13.837 11.542 -1.654 1.000 1 A 74.440 1
ATOM 245 H HG2 . ARG 16 16 ? A 12.942 12.049 0.582 1.000 1 A 74.440 1
ATOM 246 H HG3 . ARG 16 16 ? A 13.998 10.815 1.302 1.000 1 A 74.440 1
ATOM 247 H HD2 . ARG 16 16 ? A 15.955 12.166 0.280 1.000 1 A 74.440 1
ATOM 248 H HD3 . ARG 16 16 ? A 14.791 13.486 0.112 1.000 1 A 74.440 1
ATOM 249 H HE . ARG 16 16 ? A 14.497 12.680 2.744 1.000 1 A 74.440 1
ATOM 250 H HH11 . ARG 16 16 ? A 17.354 13.572 0.906 1.000 1 A 74.440 1
ATOM 251 H HH12 . ARG 16 16 ? A 18.246 14.050 2.324 1.000 1 A 74.440 1
ATOM 252 H HH21 . ARG 16 16 ? A 17.317 13.923 4.310 1.000 1 A 74.440 1
ATOM 253 H HH22 . ARG 16 16 ? A 15.694 13.327 4.541 1.000 1 A 74.440 1
ATOM 254 N N . ASN 17 17 ? A 11.282 10.169 -2.417 1.000 1 A 69.730 1
ATOM 255 C CA . ASN 17 17 ? A 9.910 10.534 -2.780 1.000 1 A 69.730 1
ATOM 256 C C . ASN 17 17 ? A 8.987 9.317 -2.700 1.000 1 A 69.730 1
ATOM 257 O O . ASN 17 17 ? A 7.888 9.411 -2.153 1.000 1 A 69.730 1
ATOM 258 C CB . ASN 17 17 ? A 9.914 11.179 -4.175 1.000 1 A 69.730 1
ATOM 259 C CG . ASN 17 17 ? A 10.613 12.529 -4.193 1.000 1 A 69.730 1
ATOM 260 O OD1 . ASN 17 17 ? A 10.772 13.189 -3.171 1.000 1 A 69.730 1
ATOM 261 N ND2 . ASN 17 17 ? A 11.045 12.973 -5.349 1.000 1 A 69.730 1
ATOM 262 H H . ASN 17 17 ? A 11.929 9.961 -3.164 1.000 1 A 69.730 1
ATOM 263 H HA . ASN 17 17 ? A 9.529 11.265 -2.066 1.000 1 A 69.730 1
ATOM 264 H HB2 . ASN 17 17 ? A 10.400 10.514 -4.889 1.000 1 A 69.730 1
ATOM 265 H HB3 . ASN 17 17 ? A 8.888 11.336 -4.508 1.000 1 A 69.730 1
ATOM 266 H HD21 . ASN 17 17 ? A 11.009 12.393 -6.175 1.000 1 A 69.730 1
ATOM 267 H HD22 . ASN 17 17 ? A 11.588 13.824 -5.364 1.000 1 A 69.730 1
ATOM 268 N N . ASN 18 18 ? A 9.481 8.156 -3.127 1.000 1 A 70.470 1
ATOM 269 C CA . ASN 18 18 ? A 8.760 6.893 -3.009 1.000 1 A 70.470 1
ATOM 270 C C . ASN 18 18 ? A 8.542 6.486 -1.551 1.000 1 A 70.470 1
ATOM 271 O O . ASN 18 18 ? A 7.421 6.146 -1.182 1.000 1 A 70.470 1
ATOM 272 C CB . ASN 18 18 ? A 9.512 5.819 -3.808 1.000 1 A 70.470 1
ATOM 273 C CG . ASN 18 18 ? A 9.247 5.939 -5.297 1.000 1 A 70.470 1
ATOM 274 O OD1 . ASN 18 18 ? A 8.532 6.817 -5.750 1.000 1 A 70.470 1
ATOM 275 N ND2 . ASN 18 18 ? A 9.753 5.014 -6.072 1.000 1 A 70.470 1
ATOM 276 H H . ASN 18 18 ? A 10.358 8.161 -3.629 1.000 1 A 70.470 1
ATOM 277 H HA . ASN 18 18 ? A 7.766 7.013 -3.439 1.000 1 A 70.470 1
ATOM 278 H HB2 . ASN 18 18 ? A 9.164 4.833 -3.498 1.000 1 A 70.470 1
ATOM 279 H HB3 . ASN 18 18 ? A 10.585 5.879 -3.627 1.000 1 A 70.470 1
ATOM 280 H HD21 . ASN 18 18 ? A 10.303 4.251 -5.703 1.000 1 A 70.470 1
ATOM 281 H HD22 . ASN 18 18 ? A 9.389 4.965 -7.013 1.000 1 A 70.470 1
ATOM 282 N N . ILE 19 19 ? A 9.563 6.609 -0.695 1.000 1 A 79.880 1
ATOM 283 C CA . ILE 19 19 ? A 9.423 6.351 0.746 1.000 1 A 79.880 1
ATOM 284 C C . ILE 19 19 ? A 8.396 7.304 1.371 1.000 1 A 79.880 1
ATOM 285 O O . ILE 19 19 ? A 7.588 6.880 2.196 1.000 1 A 79.880 1
ATOM 286 C CB . ILE 19 19 ? A 10.795 6.449 1.452 1.000 1 A 79.880 1
ATOM 287 C CG1 . ILE 19 19 ? A 11.715 5.279 1.036 1.000 1 A 79.880 1
ATOM 288 C CG2 . ILE 19 19 ? A 10.645 6.424 2.987 1.000 1 A 79.880 1
ATOM 289 C CD1 . ILE 19 19 ? A 13.200 5.521 1.358 1.000 1 A 79.880 1
ATOM 290 H H . ILE 19 19 ? A 10.478 6.829 -1.062 1.000 1 A 79.880 1
ATOM 291 H HA . ILE 19 19 ? A 9.040 5.339 0.882 1.000 1 A 79.880 1
ATOM 292 H HB . ILE 19 19 ? A 11.262 7.391 1.163 1.000 1 A 79.880 1
ATOM 293 H HG12 . ILE 19 19 ? A 11.387 4.371 1.543 1.000 1 A 79.880 1
ATOM 294 H HG13 . ILE 19 19 ? A 11.626 5.081 -0.032 1.000 1 A 79.880 1
ATOM 295 H HG21 . ILE 19 19 ? A 10.077 5.544 3.289 1.000 1 A 79.880 1
ATOM 296 H HG22 . ILE 19 19 ? A 11.623 6.388 3.466 1.000 1 A 79.880 1
ATOM 297 H HG23 . ILE 19 19 ? A 10.133 7.320 3.338 1.000 1 A 79.880 1
ATOM 298 H HD11 . ILE 19 19 ? A 13.775 5.549 0.432 1.000 1 A 79.880 1
ATOM 299 H HD12 . ILE 19 19 ? A 13.578 4.705 1.975 1.000 1 A 79.880 1
ATOM 300 H HD13 . ILE 19 19 ? A 13.347 6.464 1.885 1.000 1 A 79.880 1
ATOM 301 N N . ARG 20 20 ? A 8.383 8.585 0.971 1.000 1 A 79.200 1
ATOM 302 C CA . ARG 20 20 ? A 7.404 9.562 1.469 1.000 1 A 79.200 1
ATOM 303 C C . ARG 20 20 ? A 5.982 9.201 1.045 1.000 1 A 79.200 1
ATOM 304 O O . ARG 20 20 ? A 5.102 9.154 1.900 1.000 1 A 79.200 1
ATOM 305 C CB . ARG 20 20 ? A 7.793 10.973 1.008 1.000 1 A 79.200 1
ATOM 306 C CG . ARG 20 20 ? A 6.866 12.048 1.602 1.000 1 A 79.200 1
ATOM 307 C CD . ARG 20 20 ? A 7.212 13.444 1.079 1.000 1 A 79.200 1
ATOM 308 N NE . ARG 20 20 ? A 8.557 13.881 1.502 1.000 1 A 79.200 1
ATOM 309 C CZ . ARG 20 20 ? A 9.284 14.823 0.923 1.000 1 A 79.200 1
ATOM 310 N NH1 . ARG 20 20 ? A 8.852 15.501 -0.102 1.000 1 A 79.200 1
ATOM 311 N NH2 . ARG 20 20 ? A 10.474 15.107 1.373 1.000 1 A 79.200 1
ATOM 312 H H . ARG 20 20 ? A 9.058 8.874 0.277 1.000 1 A 79.200 1
ATOM 313 H HA . ARG 20 20 ? A 7.408 9.528 2.558 1.000 1 A 79.200 1
ATOM 314 H HB2 . ARG 20 20 ? A 8.820 11.170 1.319 1.000 1 A 79.200 1
ATOM 315 H HB3 . ARG 20 20 ? A 7.750 11.027 -0.080 1.000 1 A 79.200 1
ATOM 316 H HG2 . ARG 20 20 ? A 6.936 12.036 2.690 1.000 1 A 79.200 1
ATOM 317 H HG3 . ARG 20 20 ? A 5.834 11.839 1.319 1.000 1 A 79.200 1
ATOM 318 H HD2 . ARG 20 20 ? A 6.469 14.148 1.454 1.000 1 A 79.200 1
ATOM 319 H HD3 . ARG 20 20 ? A 7.145 13.424 -0.009 1.000 1 A 79.200 1
ATOM 320 H HE . ARG 20 20 ? A 8.966 13.398 2.289 1.000 1 A 79.200 1
ATOM 321 H HH11 . ARG 20 20 ? A 9.439 16.172 -0.578 1.000 1 A 79.200 1
ATOM 322 H HH12 . ARG 20 20 ? A 7.952 15.272 -0.498 1.000 1 A 79.200 1
ATOM 323 H HH21 . ARG 20 20 ? A 11.010 15.823 0.902 1.000 1 A 79.200 1
ATOM 324 H HH22 . ARG 20 20 ? A 10.844 14.625 2.179 1.000 1 A 79.200 1
ATOM 325 N N . ASN 21 21 ? A 5.766 8.923 -0.237 1.000 1 A 74.030 1
ATOM 326 C CA . ASN 21 21 ? A 4.445 8.570 -0.750 1.000 1 A 74.030 1
ATOM 327 C C . ASN 21 21 ? A 3.946 7.257 -0.140 1.000 1 A 74.030 1
ATOM 328 O O . ASN 21 21 ? A 2.809 7.191 0.323 1.000 1 A 74.030 1
ATOM 329 C CB . ASN 21 21 ? A 4.501 8.520 -2.285 1.000 1 A 74.030 1
ATOM 330 C CG . ASN 21 21 ? A 4.537 9.902 -2.915 1.000 1 A 74.030 1
ATOM 331 O OD1 . ASN 21 21 ? A 4.195 10.905 -2.308 1.000 1 A 74.030 1
ATOM 332 N ND2 . ASN 21 21 ? A 4.942 9.999 -4.158 1.000 1 A 74.030 1
ATOM 333 H H . ASN 21 21 ? A 6.536 8.994 -0.887 1.000 1 A 74.030 1
ATOM 334 H HA . ASN 21 21 ? A 3.728 9.334 -0.450 1.000 1 A 74.030 1
ATOM 335 H HB2 . ASN 21 21 ? A 5.369 7.947 -2.610 1.000 1 A 74.030 1
ATOM 336 H HB3 . ASN 21 21 ? A 3.606 8.022 -2.660 1.000 1 A 74.030 1
ATOM 337 H HD21 . ASN 21 21 ? A 4.924 10.920 -4.571 1.000 1 A 74.030 1
ATOM 338 H HD22 . ASN 21 21 ? A 5.254 9.185 -4.668 1.000 1 A 74.030 1
ATOM 339 N N . PHE 22 22 ? A 4.818 6.250 -0.039 1.000 1 A 82.980 1
ATOM 340 C CA . PHE 22 22 ? A 4.495 4.985 0.613 1.000 1 A 82.980 1
ATOM 341 C C . PHE 22 22 ? A 4.128 5.186 2.085 1.000 1 A 82.980 1
ATOM 342 O O . PHE 22 22 ? A 3.113 4.668 2.542 1.000 1 A 82.980 1
ATOM 343 C CB . PHE 22 22 ? A 5.672 4.015 0.465 1.000 1 A 82.980 1
ATOM 344 C CG . PHE 22 22 ? A 5.347 2.632 0.986 1.000 1 A 82.980 1
ATOM 345 C CD1 . PHE 22 22 ? A 5.802 2.215 2.251 1.000 1 A 82.980 1
ATOM 346 C CD2 . PHE 22 22 ? A 4.543 1.775 0.212 1.000 1 A 82.980 1
ATOM 347 C CE1 . PHE 22 22 ? A 5.454 0.943 2.738 1.000 1 A 82.980 1
ATOM 348 C CE2 . PHE 22 22 ? A 4.196 0.504 0.699 1.000 1 A 82.980 1
ATOM 349 C CZ . PHE 22 22 ? A 4.651 0.088 1.962 1.000 1 A 82.980 1
ATOM 350 H H . PHE 22 22 ? A 5.732 6.347 -0.457 1.000 1 A 82.980 1
ATOM 351 H HA . PHE 22 22 ? A 3.626 4.550 0.120 1.000 1 A 82.980 1
ATOM 352 H HB2 . PHE 22 22 ? A 6.543 4.409 0.989 1.000 1 A 82.980 1
ATOM 353 H HB3 . PHE 22 22 ? A 5.930 3.928 -0.591 1.000 1 A 82.980 1
ATOM 354 H HD1 . PHE 22 22 ? A 6.411 2.872 2.855 1.000 1 A 82.980 1
ATOM 355 H HD2 . PHE 22 22 ? A 4.189 2.090 -0.758 1.000 1 A 82.980 1
ATOM 356 H HE1 . PHE 22 22 ? A 5.797 0.620 3.710 1.000 1 A 82.980 1
ATOM 357 H HE2 . PHE 22 22 ? A 3.581 -0.155 0.104 1.000 1 A 82.980 1
ATOM 358 H HZ . PHE 22 22 ? A 4.383 -0.888 2.338 1.000 1 A 82.980 1
ATOM 359 N N . LYS 23 23 ? A 4.894 6.008 2.817 1.000 1 A 83.320 1
ATOM 360 C CA . LYS 23 23 ? A 4.610 6.318 4.222 1.000 1 A 83.320 1
ATOM 361 C C . LYS 23 23 ? A 3.238 6.971 4.401 1.000 1 A 83.320 1
ATOM 362 O O . LYS 23 23 ? A 2.525 6.601 5.326 1.000 1 A 83.320 1
ATOM 363 C CB . LYS 23 23 ? A 5.743 7.180 4.802 1.000 1 A 83.320 1
ATOM 364 C CG . LYS 23 23 ? A 5.529 7.465 6.295 1.000 1 A 83.320 1
ATOM 365 C CD . LYS 23 23 ? A 6.706 8.233 6.905 1.000 1 A 83.320 1
ATOM 366 C CE . LYS 23 23 ? A 6.414 8.470 8.391 1.000 1 A 83.320 1
ATOM 367 N NZ . LYS 23 23 ? A 7.515 9.190 9.077 1.000 1 A 83.320 1
ATOM 368 H H . LYS 23 23 ? A 5.727 6.388 2.392 1.000 1 A 83.320 1
ATOM 369 H HA . LYS 23 23 ? A 4.567 5.378 4.772 1.000 1 A 83.320 1
ATOM 370 H HB2 . LYS 23 23 ? A 6.684 6.643 4.681 1.000 1 A 83.320 1
ATOM 371 H HB3 . LYS 23 23 ? A 5.805 8.122 4.259 1.000 1 A 83.320 1
ATOM 372 H HG2 . LYS 23 23 ? A 4.625 8.061 6.425 1.000 1 A 83.320 1
ATOM 373 H HG3 . LYS 23 23 ? A 5.404 6.520 6.824 1.000 1 A 83.320 1
ATOM 374 H HD2 . LYS 23 23 ? A 6.822 9.185 6.388 1.000 1 A 83.320 1
ATOM 375 H HD3 . LYS 23 23 ? A 7.616 7.643 6.792 1.000 1 A 83.320 1
ATOM 376 H HE2 . LYS 23 23 ? A 6.249 7.503 8.867 1.000 1 A 83.320 1
ATOM 377 H HE3 . LYS 23 23 ? A 5.486 9.035 8.475 1.000 1 A 83.320 1
ATOM 378 H HZ1 . LYS 23 23 ? A 7.664 10.098 8.660 1.000 1 A 83.320 1
ATOM 379 H HZ2 . LYS 23 23 ? A 7.285 9.323 10.051 1.000 1 A 83.320 1
ATOM 380 H HZ3 . LYS 23 23 ? A 8.370 8.654 9.030 1.000 1 A 83.320 1
ATOM 381 N N . VAL 24 24 ? A 2.860 7.922 3.545 1.000 1 A 85.740 1
ATOM 382 C CA . VAL 24 24 ? A 1.559 8.608 3.651 1.000 1 A 85.740 1
ATOM 383 C C . VAL 24 24 ? A 0.403 7.638 3.401 1.000 1 A 85.740 1
ATOM 384 O O . VAL 24 24 ? A -0.530 7.588 4.200 1.000 1 A 85.740 1
ATOM 385 C CB . VAL 24 24 ? A 1.491 9.822 2.704 1.000 1 A 85.740 1
ATOM 386 C CG1 . VAL 24 24 ? A 0.100 10.467 2.683 1.000 1 A 85.740 1
ATOM 387 C CG2 . VAL 24 24 ? A 2.481 10.910 3.146 1.000 1 A 85.740 1
ATOM 388 H H . VAL 24 24 ? A 3.490 8.174 2.796 1.000 1 A 85.740 1
ATOM 389 H HA . VAL 24 24 ? A 1.436 8.973 4.671 1.000 1 A 85.740 1
ATOM 390 H HB . VAL 24 24 ? A 1.745 9.504 1.693 1.000 1 A 85.740 1
ATOM 391 H HG11 . VAL 24 24 ? A 0.116 11.372 2.076 1.000 1 A 85.740 1
ATOM 392 H HG12 . VAL 24 24 ? A -0.214 10.723 3.695 1.000 1 A 85.740 1
ATOM 393 H HG13 . VAL 24 24 ? A -0.632 9.787 2.247 1.000 1 A 85.740 1
ATOM 394 H HG21 . VAL 24 24 ? A 2.507 11.701 2.397 1.000 1 A 85.740 1
ATOM 395 H HG22 . VAL 24 24 ? A 3.486 10.501 3.253 1.000 1 A 85.740 1
ATOM 396 H HG23 . VAL 24 24 ? A 2.168 11.332 4.101 1.000 1 A 85.740 1
ATOM 397 N N . VAL 25 25 ? A 0.485 6.826 2.342 1.000 1 A 85.970 1
ATOM 398 C CA . VAL 25 25 ? A -0.554 5.830 2.023 1.000 1 A 85.970 1
ATOM 399 C C . VAL 25 25 ? A -0.673 4.787 3.136 1.000 1 A 85.970 1
ATOM 400 O O . VAL 25 25 ? A -1.778 4.467 3.573 1.000 1 A 85.970 1
ATOM 401 C CB . VAL 25 25 ? A -0.264 5.161 0.664 1.000 1 A 85.970 1
ATOM 402 C CG1 . VAL 25 25 ? A -1.254 4.032 0.346 1.000 1 A 85.970 1
ATOM 403 C CG2 . VAL 25 25 ? A -0.360 6.185 -0.475 1.000 1 A 85.970 1
ATOM 404 H H . VAL 25 25 ? A 1.281 6.905 1.727 1.000 1 A 85.970 1
ATOM 405 H HA . VAL 25 25 ? A -1.518 6.334 1.956 1.000 1 A 85.970 1
ATOM 406 H HB . VAL 25 25 ? A 0.743 4.744 0.676 1.000 1 A 85.970 1
ATOM 407 H HG11 . VAL 25 25 ? A -1.064 3.643 -0.654 1.000 1 A 85.970 1
ATOM 408 H HG12 . VAL 25 25 ? A -2.277 4.404 0.398 1.000 1 A 85.970 1
ATOM 409 H HG13 . VAL 25 25 ? A -1.136 3.210 1.052 1.000 1 A 85.970 1
ATOM 410 H HG21 . VAL 25 25 ? A 0.334 7.010 -0.314 1.000 1 A 85.970 1
ATOM 411 H HG22 . VAL 25 25 ? A -0.111 5.708 -1.422 1.000 1 A 85.970 1
ATOM 412 H HG23 . VAL 25 25 ? A -1.373 6.585 -0.532 1.000 1 A 85.970 1
ATOM 413 N N . PHE 26 26 ? A 0.459 4.299 3.643 1.000 1 A 91.750 1
ATOM 414 C CA . PHE 26 26 ? A 0.493 3.303 4.710 1.000 1 A 91.750 1
ATOM 415 C C . PHE 26 26 ? A -0.109 3.825 6.023 1.000 1 A 91.750 1
ATOM 416 O O . PHE 26 26 ? A -0.901 3.132 6.660 1.000 1 A 91.750 1
ATOM 417 C CB . PHE 26 26 ? A 1.944 2.849 4.893 1.000 1 A 91.750 1
ATOM 418 C CG . PHE 26 26 ? A 2.094 1.695 5.855 1.000 1 A 91.750 1
ATOM 419 C CD1 . PHE 26 26 ? A 2.609 1.906 7.147 1.000 1 A 91.750 1
ATOM 420 C CD2 . PHE 26 26 ? A 1.713 0.403 5.451 1.000 1 A 91.750 1
ATOM 421 C CE1 . PHE 26 26 ? A 2.764 0.818 8.022 1.000 1 A 91.750 1
ATOM 422 C CE2 . PHE 26 26 ? A 1.840 -0.678 6.339 1.000 1 A 91.750 1
ATOM 423 C CZ . PHE 26 26 ? A 2.367 -0.471 7.625 1.000 1 A 91.750 1
ATOM 424 H H . PHE 26 26 ? A 1.337 4.579 3.231 1.000 1 A 91.750 1
ATOM 425 H HA . PHE 26 26 ? A -0.103 2.443 4.403 1.000 1 A 91.750 1
ATOM 426 H HB2 . PHE 26 26 ? A 2.336 2.529 3.927 1.000 1 A 91.750 1
ATOM 427 H HB3 . PHE 26 26 ? A 2.548 3.691 5.232 1.000 1 A 91.750 1
ATOM 428 H HD1 . PHE 26 26 ? A 2.895 2.898 7.464 1.000 1 A 91.750 1
ATOM 429 H HD2 . PHE 26 26 ? A 1.314 0.239 4.461 1.000 1 A 91.750 1
ATOM 430 H HE1 . PHE 26 26 ? A 3.172 0.972 9.010 1.000 1 A 91.750 1
ATOM 431 H HE2 . PHE 26 26 ? A 1.534 -1.668 6.034 1.000 1 A 91.750 1
ATOM 432 H HZ . PHE 26 26 ? A 2.471 -1.303 8.305 1.000 1 A 91.750 1
ATOM 433 N N . LEU 27 27 ? A 0.202 5.066 6.412 1.000 1 A 88.540 1
ATOM 434 C CA . LEU 27 27 ? A -0.387 5.684 7.602 1.000 1 A 88.540 1
ATOM 435 C C . LEU 27 27 ? A -1.900 5.887 7.457 1.000 1 A 88.540 1
ATOM 436 O O . LEU 27 27 ? A -2.634 5.600 8.400 1.000 1 A 88.540 1
ATOM 437 C CB . LEU 27 27 ? A 0.317 7.017 7.902 1.000 1 A 88.540 1
ATOM 438 C CG . LEU 27 27 ? A 1.745 6.873 8.459 1.000 1 A 88.540 1
ATOM 439 C CD1 . LEU 27 27 ? A 2.377 8.262 8.585 1.000 1 A 88.540 1
ATOM 440 C CD2 . LEU 27 27 ? A 1.780 6.208 9.836 1.000 1 A 88.540 1
ATOM 441 H H . LEU 27 27 ? A 0.851 5.602 5.853 1.000 1 A 88.540 1
ATOM 442 H HA . LEU 27 27 ? A -0.261 5.008 8.447 1.000 1 A 88.540 1
ATOM 443 H HB2 . LEU 27 27 ? A 0.344 7.609 6.987 1.000 1 A 88.540 1
ATOM 444 H HB3 . LEU 27 27 ? A -0.280 7.566 8.630 1.000 1 A 88.540 1
ATOM 445 H HG . LEU 27 27 ? A 2.358 6.273 7.787 1.000 1 A 88.540 1
ATOM 446 H HD11 . LEU 27 27 ? A 1.765 8.883 9.240 1.000 1 A 88.540 1
ATOM 447 H HD12 . LEU 27 27 ? A 3.380 8.174 9.001 1.000 1 A 88.540 1
ATOM 448 H HD13 . LEU 27 27 ? A 2.428 8.722 7.599 1.000 1 A 88.540 1
ATOM 449 H HD21 . LEU 27 27 ? A 1.127 6.740 10.528 1.000 1 A 88.540 1
ATOM 450 H HD22 . LEU 27 27 ? A 2.798 6.206 10.228 1.000 1 A 88.540 1
ATOM 451 H HD23 . LEU 27 27 ? A 1.449 5.172 9.761 1.000 1 A 88.540 1
ATOM 452 N N . CYS 28 28 ? A -2.377 6.309 6.283 1.000 1 A 92.530 1
ATOM 453 C CA . CYS 28 28 ? A -3.810 6.452 6.023 1.000 1 A 92.530 1
ATOM 454 C C . CYS 28 28 ? A -4.548 5.108 6.155 1.000 1 A 92.530 1
ATOM 455 O O . CYS 28 28 ? A -5.621 5.043 6.752 1.000 1 A 92.530 1
ATOM 456 C CB . CYS 28 28 ? A -3.979 7.065 4.628 1.000 1 A 92.530 1
ATOM 457 S SG . CYS 28 28 ? A -5.723 7.460 4.327 1.000 1 A 92.530 1
ATOM 458 H H . CYS 28 28 ? A -1.726 6.538 5.545 1.000 1 A 92.530 1
ATOM 459 H HA . CYS 28 28 ? A -4.235 7.131 6.762 1.000 1 A 92.530 1
ATOM 460 H HB2 . CYS 28 28 ? A -3.628 6.366 3.869 1.000 1 A 92.530 1
ATOM 461 H HB3 . CYS 28 28 ? A -3.389 7.980 4.563 1.000 1 A 92.530 1
ATOM 462 H HG . CYS 28 28 ? A -5.936 8.150 5.451 1.000 1 A 92.530 1
ATOM 463 N N . TYR 29 29 ? A -3.939 4.017 5.679 1.000 1 A 92.820 1
ATOM 464 C CA . TYR 29 29 ? A -4.486 2.670 5.842 1.000 1 A 92.820 1
ATOM 465 C C . TYR 29 29 ? A -4.588 2.257 7.319 1.000 1 A 92.820 1
ATOM 466 O O . TYR 29 29 ? A -5.631 1.764 7.744 1.000 1 A 92.820 1
ATOM 467 C CB . TYR 29 29 ? A -3.631 1.681 5.043 1.000 1 A 92.820 1
ATOM 468 C CG . TYR 29 29 ? A -4.165 0.266 5.088 1.000 1 A 92.820 1
ATOM 469 C CD1 . TYR 29 29 ? A -3.622 -0.670 5.990 1.000 1 A 92.820 1
ATOM 470 C CD2 . TYR 29 29 ? A -5.233 -0.099 4.247 1.000 1 A 92.820 1
ATOM 471 C CE1 . TYR 29 29 ? A -4.146 -1.975 6.050 1.000 1 A 92.820 1
ATOM 472 C CE2 . TYR 29 29 ? A -5.756 -1.404 4.302 1.000 1 A 92.820 1
ATOM 473 C CZ . TYR 29 29 ? A -5.215 -2.342 5.204 1.000 1 A 92.820 1
ATOM 474 O OH . TYR 29 29 ? A -5.731 -3.597 5.253 1.000 1 A 92.820 1
ATOM 475 H H . TYR 29 29 ? A -3.070 4.128 5.177 1.000 1 A 92.820 1
ATOM 476 H HA . TYR 29 29 ? A -5.496 2.654 5.434 1.000 1 A 92.820 1
ATOM 477 H HB2 . TYR 29 29 ? A -3.593 2.006 4.004 1.000 1 A 92.820 1
ATOM 478 H HB3 . TYR 29 29 ? A -2.609 1.684 5.425 1.000 1 A 92.820 1
ATOM 479 H HD1 . TYR 29 29 ? A -2.812 -0.384 6.645 1.000 1 A 92.820 1
ATOM 480 H HD2 . TYR 29 29 ? A -5.654 0.622 3.562 1.000 1 A 92.820 1
ATOM 481 H HE1 . TYR 29 29 ? A -3.737 -2.691 6.748 1.000 1 A 92.820 1
ATOM 482 H HE2 . TYR 29 29 ? A -6.577 -1.698 3.666 1.000 1 A 92.820 1
ATOM 483 H HH . TYR 29 29 ? A -5.329 -4.129 5.944 1.000 1 A 92.820 1
ATOM 484 N N . ILE 30 30 ? A -3.546 2.520 8.119 1.000 1 A 93.790 1
ATOM 485 C CA . ILE 30 30 ? A -3.563 2.252 9.567 1.000 1 A 93.790 1
ATOM 486 C C . ILE 30 30 ? A -4.651 3.077 10.268 1.000 1 A 93.790 1
ATOM 487 O O . ILE 30 30 ? A -5.348 2.553 11.134 1.000 1 A 93.790 1
ATOM 488 C CB . ILE 30 30 ? A -2.168 2.499 10.193 1.000 1 A 93.790 1
ATOM 489 C CG1 . ILE 30 30 ? A -1.173 1.427 9.699 1.000 1 A 93.790 1
ATOM 490 C CG2 . ILE 30 30 ? A -2.240 2.462 11.736 1.000 1 A 93.790 1
ATOM 491 C CD1 . ILE 30 30 ? A 0.291 1.743 10.021 1.000 1 A 93.790 1
ATOM 492 H H . ILE 30 30 ? A -2.717 2.922 7.706 1.000 1 A 93.790 1
ATOM 493 H HA . ILE 30 30 ? A -3.824 1.205 9.722 1.000 1 A 93.790 1
ATOM 494 H HB . ILE 30 30 ? A -1.813 3.483 9.887 1.000 1 A 93.790 1
ATOM 495 H HG12 . ILE 30 30 ? A -1.251 1.314 8.617 1.000 1 A 93.790 1
ATOM 496 H HG13 . ILE 30 30 ? A -1.432 0.469 10.148 1.000 1 A 93.790 1
ATOM 497 H HG21 . ILE 30 30 ? A -2.662 1.514 12.067 1.000 1 A 93.790 1
ATOM 498 H HG22 . ILE 30 30 ? A -1.256 2.589 12.187 1.000 1 A 93.790 1
ATOM 499 H HG23 . ILE 30 30 ? A -2.856 3.280 12.111 1.000 1 A 93.790 1
ATOM 500 H HD11 . ILE 30 30 ? A 0.886 0.860 9.787 1.000 1 A 93.790 1
ATOM 501 H HD12 . ILE 30 30 ? A 0.441 1.965 11.078 1.000 1 A 93.790 1
ATOM 502 H HD13 . ILE 30 30 ? A 0.626 2.588 9.420 1.000 1 A 93.790 1
ATOM 503 N N . GLN 31 31 ? A -4.824 4.349 9.904 1.000 1 A 89.530 1
ATOM 504 C CA . GLN 31 31 ? A -5.868 5.203 10.481 1.000 1 A 89.530 1
ATOM 505 C C . GLN 31 31 ? A -7.271 4.702 10.137 1.000 1 A 89.530 1
ATOM 506 O O . GLN 31 31 ? A -8.122 4.633 11.018 1.000 1 A 89.530 1
ATOM 507 C CB . GLN 31 31 ? A -5.697 6.641 9.982 1.000 1 A 89.530 1
ATOM 508 C CG . GLN 31 31 ? A -4.470 7.317 10.601 1.000 1 A 89.530 1
ATOM 509 C CD . GLN 31 31 ? A -4.251 8.705 10.017 1.000 1 A 89.530 1
ATOM 510 O OE1 . GLN 31 31 ? A -4.168 8.913 8.817 1.000 1 A 89.530 1
ATOM 511 N NE2 . GLN 31 31 ? A -4.147 9.722 10.844 1.000 1 A 89.530 1
ATOM 512 H H . GLN 31 31 ? A -4.212 4.741 9.203 1.000 1 A 89.530 1
ATOM 513 H HA . GLN 31 31 ? A -5.784 5.193 11.568 1.000 1 A 89.530 1
ATOM 514 H HB2 . GLN 31 31 ? A -5.609 6.641 8.896 1.000 1 A 89.530 1
ATOM 515 H HB3 . GLN 31 31 ? A -6.580 7.220 10.253 1.000 1 A 89.530 1
ATOM 516 H HG2 . GLN 31 31 ? A -4.620 7.392 11.678 1.000 1 A 89.530 1
ATOM 517 H HG3 . GLN 31 31 ? A -3.571 6.725 10.432 1.000 1 A 89.530 1
ATOM 518 H HE21 . GLN 31 31 ? A -4.074 10.631 10.412 1.000 1 A 89.530 1
ATOM 519 H HE22 . GLN 31 31 ? A -4.277 9.590 11.837 1.000 1 A 89.530 1
ATOM 520 N N . ASN 32 32 ? A -7.491 4.303 8.881 1.000 1 A 86.640 1
ATOM 521 C CA . ASN 32 32 ? A -8.767 3.740 8.458 1.000 1 A 86.640 1
ATOM 522 C C . ASN 32 32 ? A -9.067 2.441 9.221 1.000 1 A 86.640 1
ATOM 523 O O . ASN 32 32 ? A -10.171 2.257 9.710 1.000 1 A 86.640 1
ATOM 524 C CB . ASN 32 32 ? A -8.738 3.540 6.934 1.000 1 A 86.640 1
ATOM 525 C CG . ASN 32 32 ? A -10.126 3.358 6.347 1.000 1 A 86.640 1
ATOM 526 O OD1 . ASN 32 32 ? A -11.119 3.854 6.841 1.000 1 A 86.640 1
ATOM 527 N ND2 . ASN 32 32 ? A -10.241 2.681 5.229 1.000 1 A 86.640 1
ATOM 528 H H . ASN 32 32 ? A -6.759 4.414 8.195 1.000 1 A 86.640 1
ATOM 529 H HA . ASN 32 32 ? A -9.556 4.449 8.709 1.000 1 A 86.640 1
ATOM 530 H HB2 . ASN 32 32 ? A -8.118 2.676 6.691 1.000 1 A 86.640 1
ATOM 531 H HB3 . ASN 32 32 ? A -8.305 4.420 6.458 1.000 1 A 86.640 1
ATOM 532 H HD21 . ASN 32 32 ? A -11.184 2.574 4.884 1.000 1 A 86.640 1
ATOM 533 H HD22 . ASN 32 32 ? A -9.433 2.242 4.810 1.000 1 A 86.640 1
ATOM 534 N N . LEU 33 33 ? A -8.065 1.579 9.413 1.000 1 A 91.790 1
ATOM 535 C CA . LEU 33 33 ? A -8.221 0.324 10.150 1.000 1 A 91.790 1
ATOM 536 C C . LEU 33 33 ? A -8.541 0.537 11.641 1.000 1 A 91.790 1
ATOM 537 O O . LEU 33 33 ? A -9.344 -0.209 12.189 1.000 1 A 91.790 1
ATOM 538 C CB . LEU 33 33 ? A -6.963 -0.525 9.902 1.000 1 A 91.790 1
ATOM 539 C CG . LEU 33 33 ? A -7.111 -1.990 10.357 1.000 1 A 91.790 1
ATOM 540 C CD1 . LEU 33 33 ? A -6.459 -2.927 9.336 1.000 1 A 91.790 1
ATOM 541 C CD2 . LEU 33 33 ? A -6.434 -2.227 11.707 1.000 1 A 91.790 1
ATOM 542 H H . LEU 33 33 ? A -7.172 1.772 8.982 1.000 1 A 91.790 1
ATOM 543 H HA . LEU 33 33 ? A -9.075 -0.205 9.726 1.000 1 A 91.790 1
ATOM 544 H HB2 . LEU 33 33 ? A -6.774 -0.514 8.828 1.000 1 A 91.790 1
ATOM 545 H HB3 . LEU 33 33 ? A -6.102 -0.064 10.386 1.000 1 A 91.790 1
ATOM 546 H HG . LEU 33 33 ? A -8.166 -2.253 10.431 1.000 1 A 91.790 1
ATOM 547 H HD11 . LEU 33 33 ? A -5.406 -2.673 9.213 1.000 1 A 91.790 1
ATOM 548 H HD12 . LEU 33 33 ? A -6.551 -3.957 9.679 1.000 1 A 91.790 1
ATOM 549 H HD13 . LEU 33 33 ? A -6.972 -2.832 8.379 1.000 1 A 91.790 1
ATOM 550 H HD21 . LEU 33 33 ? A -6.646 -3.240 12.052 1.000 1 A 91.790 1
ATOM 551 H HD22 . LEU 33 33 ? A -6.827 -1.525 12.442 1.000 1 A 91.790 1
ATOM 552 H HD23 . LEU 33 33 ? A -5.356 -2.085 11.625 1.000 1 A 91.790 1
ATOM 553 N N . ASN 34 34 ? A -7.976 1.570 12.280 1.000 1 A 83.750 1
ATOM 554 C CA . ASN 34 34 ? A -8.310 1.931 13.666 1.000 1 A 83.750 1
ATOM 555 C C . ASN 34 34 ? A -9.704 2.552 13.817 1.000 1 A 83.750 1
ATOM 556 O O . ASN 34 34 ? A -10.260 2.486 14.899 1.000 1 A 83.750 1
ATOM 557 C CB . ASN 34 34 ? A -7.265 2.903 14.237 1.000 1 A 83.750 1
ATOM 558 C CG . ASN 34 34 ? A -6.010 2.206 14.710 1.000 1 A 83.750 1
ATOM 559 O OD1 . ASN 34 34 ? A -5.916 1.683 15.803 1.000 1 A 83.750 1
ATOM 560 N ND2 . ASN 34 34 ? A -4.977 2.167 13.907 1.000 1 A 83.750 1
ATOM 561 H H . ASN 34 34 ? A -7.330 2.152 11.767 1.000 1 A 83.750 1
ATOM 562 H HA . ASN 34 34 ? A -8.322 1.031 14.281 1.000 1 A 83.750 1
ATOM 563 H HB2 . ASN 34 34 ? A -7.688 3.396 15.112 1.000 1 A 83.750 1
ATOM 564 H HB3 . ASN 34 34 ? A -7.022 3.672 13.504 1.000 1 A 83.750 1
ATOM 565 H HD21 . ASN 34 34 ? A -4.202 1.617 14.247 1.000 1 A 83.750 1
ATOM 566 H HD22 . ASN 34 34 ? A -5.103 2.420 12.938 1.000 1 A 83.750 1
ATOM 567 N N . PHE 35 35 ? A -10.267 3.172 12.778 1.000 1 A 88.640 1
ATOM 568 C CA . PHE 35 35 ? A -11.631 3.708 12.843 1.000 1 A 88.640 1
ATOM 569 C C . PHE 35 35 ? A -12.697 2.600 12.853 1.000 1 A 88.640 1
ATOM 570 O O . PHE 35 35 ? A -13.784 2.796 13.389 1.000 1 A 88.640 1
ATOM 571 C CB . PHE 35 35 ? A -11.835 4.666 11.663 1.000 1 A 88.640 1
ATOM 572 C CG . PHE 35 35 ? A -13.225 5.264 11.595 1.000 1 A 88.640 1
ATOM 573 C CD1 . PHE 35 35 ? A -14.191 4.708 10.734 1.000 1 A 88.640 1
ATOM 574 C CD2 . PHE 35 35 ? A -13.569 6.346 12.427 1.000 1 A 88.640 1
ATOM 575 C CE1 . PHE 35 35 ? A -15.494 5.234 10.704 1.000 1 A 88.640 1
ATOM 576 C CE2 . PHE 35 35 ? A -14.871 6.875 12.393 1.000 1 A 88.640 1
ATOM 577 C CZ . PHE 35 35 ? A -15.834 6.318 11.533 1.000 1 A 88.640 1
ATOM 578 H H . PHE 35 35 ? A -9.759 3.246 11.908 1.000 1 A 88.640 1
ATOM 579 H HA . PHE 35 35 ? A -11.754 4.264 13.773 1.000 1 A 88.640 1
ATOM 580 H HB2 . PHE 35 35 ? A -11.108 5.475 11.735 1.000 1 A 88.640 1
ATOM 581 H HB3 . PHE 35 35 ? A -11.643 4.133 10.732 1.000 1 A 88.640 1
ATOM 582 H HD1 . PHE 35 35 ? A -13.939 3.858 10.117 1.000 1 A 88.640 1
ATOM 583 H HD2 . PHE 35 35 ? A -12.838 6.753 13.110 1.000 1 A 88.640 1
ATOM 584 H HE1 . PHE 35 35 ? A -16.237 4.789 10.060 1.000 1 A 88.640 1
ATOM 585 H HE2 . PHE 35 35 ? A -15.138 7.692 13.047 1.000 1 A 88.640 1
ATOM 586 H HZ . PHE 35 35 ? A -16.842 6.707 11.526 1.000 1 A 88.640 1
ATOM 587 N N . PHE 36 36 ? A -12.399 1.452 12.239 1.000 1 A 84.890 1
ATOM 588 C CA . PHE 36 36 ? A -13.311 0.306 12.192 1.000 1 A 84.890 1
ATOM 589 C C . PHE 36 36 ? A -13.230 -0.614 13.421 1.000 1 A 84.890 1
ATOM 590 O O . PHE 36 36 ? A -14.143 -1.418 13.607 1.000 1 A 84.890 1
ATOM 591 C CB . PHE 36 36 ? A -13.061 -0.491 10.901 1.000 1 A 84.890 1
ATOM 592 C CG . PHE 36 36 ? A -13.670 0.129 9.658 1.000 1 A 84.890 1
ATOM 593 C CD1 . PHE 36 36 ? A -15.053 0.019 9.425 1.000 1 A 84.890 1
ATOM 594 C CD2 . PHE 36 36 ? A -12.867 0.804 8.725 1.000 1 A 84.890 1
ATOM 595 C CE1 . PHE 36 36 ? A -15.626 0.595 8.276 1.000 1 A 84.890 1
ATOM 596 C CE2 . PHE 36 36 ? A -13.439 1.406 7.591 1.000 1 A 84.890 1
ATOM 597 C CZ . PHE 36 36 ? A -14.820 1.299 7.364 1.000 1 A 84.890 1
ATOM 598 H H . PHE 36 36 ? A -11.488 1.359 11.812 1.000 1 A 84.890 1
ATOM 599 H HA . PHE 36 36 ? A -14.337 0.673 12.171 1.000 1 A 84.890 1
ATOM 600 H HB2 . PHE 36 36 ? A -13.499 -1.483 11.012 1.000 1 A 84.890 1
ATOM 601 H HB3 . PHE 36 36 ? A -11.989 -0.632 10.763 1.000 1 A 84.890 1
ATOM 602 H HD1 . PHE 36 36 ? A -15.676 -0.500 10.138 1.000 1 A 84.890 1
ATOM 603 H HD2 . PHE 36 36 ? A -11.799 0.848 8.876 1.000 1 A 84.890 1
ATOM 604 H HE1 . PHE 36 36 ? A -16.690 0.517 8.111 1.000 1 A 84.890 1
ATOM 605 H HE2 . PHE 36 36 ? A -12.814 1.952 6.900 1.000 1 A 84.890 1
ATOM 606 H HZ . PHE 36 36 ? A -15.264 1.763 6.495 1.000 1 A 84.890 1
ATOM 607 N N . LEU 37 37 ? A -12.153 -0.528 14.210 1.000 1 A 74.830 1
ATOM 608 C CA . LEU 37 37 ? A -11.978 -1.238 15.485 1.000 1 A 74.830 1
ATOM 609 C C . LEU 37 37 ? A -12.609 -0.445 16.633 1.000 1 A 74.830 1
ATOM 610 O O . LEU 37 37 ? A -13.299 -1.089 17.454 1.000 1 A 74.830 1
ATOM 611 C CB . LEU 37 37 ? A -10.470 -1.484 15.717 1.000 1 A 74.830 1
ATOM 612 C CG . LEU 37 37 ? A -9.973 -2.812 15.134 1.000 1 A 74.830 1
ATOM 613 C CD1 . LEU 37 37 ? A -8.482 -2.723 14.823 1.000 1 A 74.830 1
ATOM 614 C CD2 . LEU 37 37 ? A -10.187 -3.953 16.130 1.000 1 A 74.830 1
ATOM 615 O OXT . LEU 37 37 ? A -12.333 0.769 16.688 1.000 1 A 74.830 1
ATOM 616 H H . LEU 37 37 ? A -11.535 0.257 14.063 1.000 1 A 74.830 1
ATOM 617 H HA . LEU 37 37 ? A -12.519 -2.184 15.465 1.000 1 A 74.830 1
ATOM 618 H HB2 . LEU 37 37 ? A -10.272 -1.470 16.789 1.000 1 A 74.830 1
ATOM 619 H HB3 . LEU 37 37 ? A -9.917 -0.648 15.289 1.000 1 A 74.830 1
ATOM 620 H HG . LEU 37 37 ? A -10.503 -3.033 14.207 1.000 1 A 74.830 1
ATOM 621 H HD11 . LEU 37 37 ? A -7.927 -2.502 15.735 1.000 1 A 74.830 1
ATOM 622 H HD12 . LEU 37 37 ? A -8.329 -1.918 14.105 1.000 1 A 74.830 1
ATOM 623 H HD13 . LEU 37 37 ? A -8.140 -3.663 14.391 1.000 1 A 74.830 1
ATOM 624 H HD21 . LEU 37 37 ? A -9.611 -3.771 17.037 1.000 1 A 74.830 1
ATOM 625 H HD22 . LEU 37 37 ? A -11.244 -3.999 16.392 1.000 1 A 74.830 1
ATOM 626 H HD23 . LEU 37 37 ? A -9.889 -4.900 15.680 1.000 1 A 74.830 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 72.294

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 42.400
2 1 A 2 VAL 2 43.880
3 1 A 3 TYR 2 52.950
4 1 A 4 ASN 2 50.830
5 1 A 5 PHE 2 57.870
6 1 A 6 ASN 2 51.010
7 1 A 7 THR 2 59.350
8 1 A 8 LEU 2 56.650
9 1 A 9 TYR 2 55.500
10 1 A 10 ASP 2 52.250
11 1 A 11 VAL 2 58.790
12 1 A 12 GLY 2 55.970
13 1 A 13 ALA 2 63.040
14 1 A 14 ASP 2 64.530
15 1 A 15 PRO 2 64.610
16 1 A 16 ARG 2 74.440
17 1 A 17 ASN 2 69.730
18 1 A 18 ASN 2 70.470
19 1 A 19 ILE 2 79.880
20 1 A 20 ARG 2 79.200
21 1 A 21 ASN 2 74.030
22 1 A 22 PHE 2 82.980
23 1 A 23 LYS 2 83.320
24 1 A 24 VAL 2 85.740
25 1 A 25 VAL 2 85.970
26 1 A 26 PHE 2 91.750
27 1 A 27 LEU 2 88.540
28 1 A 28 CYS 2 92.530
29 1 A 29 TYR 2 92.820
30 1 A 30 ILE 2 93.790
31 1 A 31 GLN 2 89.530
32 1 A 32 ASN 2 86.640
33 1 A 33 LEU 2 91.790
34 1 A 34 ASN 2 83.750
35 1 A 35 PHE 2 88.640
36 1 A 36 PHE 2 84.890
37 1 A 37 LEU 2 74.830

_database_2.database_id ModelArchive
_database_2.database_code ma-asfv-asfvg-017
_database_2.pdbx_DOI 10.5452/ma-asfv-asfvg-017

_pdbx_database_status.entry_id ma-asfv-asfvg-017
_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'