data_ma-asfv-asfvg-018
_entry.id ma-asfv-asfvg-018
_entry.ma_collection_id ma-asfv-asfvg

_struct.entry_id ma-asfv-asfvg-018
_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 00300'

_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
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'
GLU 'L-peptide linking' 'GLUTAMIC ACID' 'C5 H9 N O4' 147.130 'CCD Core'
HIS 'L-peptide linking' HISTIDINE 'C6 H10 N3 O2 1' 156.165 'CCD Core'
ILE 'L-peptide linking' ISOLEUCINE 'C6 H13 N O2' 131.175 'CCD Core'
LEU 'L-peptide linking' LEUCINE 'C6 H13 N O2' 131.175 'CCD Core'
LYS 'L-peptide linking' LYSINE 'C6 H15 N2 O2 1' 147.198 'CCD Core'
MET 'L-peptide linking' METHIONINE 'C5 H11 N O2 S' 149.208 'CCD Core'
PHE 'L-peptide linking' PHENYLALANINE 'C9 H11 N O2' 165.192 'CCD Core'
SER 'L-peptide linking' SERINE 'C3 H7 N O3' 105.093 'CCD Core'
THR 'L-peptide linking' THREONINE 'C4 H9 N O3' 119.120 'CCD Core'
TYR 'L-peptide linking' TYROSINE 'C9 H11 N O3' 181.191 '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 00300 protein' 5464.467 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 . A0A2X0RV85_ASF A0A2X0RV85 . 1 38 10497 'African swine fever virus (ASFV)' 2018-09-12 DF2ED910EC491516
1 NCBI . CAD2068365.1 1886136890 . 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 MFIIHTNIMNFFCNIKLFLYHFRSIHKKNILKLFNFIE MFIIHTNIMNFFCNIKLFLYHFRSIHKKNILKLFNFIE

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

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

loop_
_ma_data.id
_ma_data.name
_ma_data.content_type
_ma_data.content_type_other_details
1 'ASFV-G ASFV G ACD 00300 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 24.979 4.363 -12.517 1.000 1 A 72.110 1
ATOM 2 C CA . MET 1 1 ? A 23.826 3.434 -12.426 1.000 1 A 72.110 1
ATOM 3 C C . MET 1 1 ? A 23.488 2.999 -10.990 1.000 1 A 72.110 1
ATOM 4 O O . MET 1 1 ? A 22.322 2.753 -10.727 1.000 1 A 72.110 1
ATOM 5 C CB . MET 1 1 ? A 24.022 2.247 -13.378 1.000 1 A 72.110 1
ATOM 6 C CG . MET 1 1 ? A 22.708 1.533 -13.708 1.000 1 A 72.110 1
ATOM 7 S SD . MET 1 1 ? A 22.894 0.394 -15.099 1.000 1 A 72.110 1
ATOM 8 C CE . MET 1 1 ? A 21.210 -0.267 -15.219 1.000 1 A 72.110 1
ATOM 9 H H . MET 1 1 ? A 24.841 5.167 -11.923 1.000 1 A 72.110 1
ATOM 10 H H2 . MET 1 1 ? A 25.074 4.686 -13.470 1.000 1 A 72.110 1
ATOM 11 H HA . MET 1 1 ? A 22.946 3.969 -12.782 1.000 1 A 72.110 1
ATOM 12 H HB2 . MET 1 1 ? A 24.729 1.535 -12.951 1.000 1 A 72.110 1
ATOM 13 H HB3 . MET 1 1 ? A 24.435 2.621 -14.315 1.000 1 A 72.110 1
ATOM 14 H HG2 . MET 1 1 ? A 21.953 2.274 -13.970 1.000 1 A 72.110 1
ATOM 15 H HG3 . MET 1 1 ? A 22.367 0.977 -12.835 1.000 1 A 72.110 1
ATOM 16 H HE1 . MET 1 1 ? A 20.507 0.542 -15.419 1.000 1 A 72.110 1
ATOM 17 H HE2 . MET 1 1 ? A 20.940 -0.764 -14.287 1.000 1 A 72.110 1
ATOM 18 H HE3 . MET 1 1 ? A 21.163 -0.990 -16.034 1.000 1 A 72.110 1
ATOM 19 H H3 . MET 1 1 ? A 25.837 3.892 -12.266 1.000 1 A 72.110 1
ATOM 20 N N . PHE 2 2 ? A 24.440 2.970 -10.042 1.000 1 A 87.800 1
ATOM 21 C CA . PHE 2 2 ? A 24.185 2.554 -8.647 1.000 1 A 87.800 1
ATOM 22 C C . PHE 2 2 ? A 23.260 3.502 -7.850 1.000 1 A 87.800 1
ATOM 23 O O . PHE 2 2 ? A 22.321 3.044 -7.211 1.000 1 A 87.800 1
ATOM 24 C CB . PHE 2 2 ? A 25.547 2.382 -7.955 1.000 1 A 87.800 1
ATOM 25 C CG . PHE 2 2 ? A 25.483 1.723 -6.592 1.000 1 A 87.800 1
ATOM 26 C CD1 . PHE 2 2 ? A 25.627 2.489 -5.419 1.000 1 A 87.800 1
ATOM 27 C CD2 . PHE 2 2 ? A 25.305 0.329 -6.498 1.000 1 A 87.800 1
ATOM 28 C CE1 . PHE 2 2 ? A 25.594 1.863 -4.160 1.000 1 A 87.800 1
ATOM 29 C CE2 . PHE 2 2 ? A 25.270 -0.295 -5.238 1.000 1 A 87.800 1
ATOM 30 C CZ . PHE 2 2 ? A 25.415 0.472 -4.070 1.000 1 A 87.800 1
ATOM 31 H H . PHE 2 2 ? A 25.415 3.065 -10.288 1.000 1 A 87.800 1
ATOM 32 H HA . PHE 2 2 ? A 23.695 1.581 -8.659 1.000 1 A 87.800 1
ATOM 33 H HB2 . PHE 2 2 ? A 26.186 1.765 -8.585 1.000 1 A 87.800 1
ATOM 34 H HB3 . PHE 2 2 ? A 26.028 3.355 -7.859 1.000 1 A 87.800 1
ATOM 35 H HD1 . PHE 2 2 ? A 25.776 3.557 -5.476 1.000 1 A 87.800 1
ATOM 36 H HD2 . PHE 2 2 ? A 25.204 -0.272 -7.389 1.000 1 A 87.800 1
ATOM 37 H HE1 . PHE 2 2 ? A 25.718 2.446 -3.259 1.000 1 A 87.800 1
ATOM 38 H HE2 . PHE 2 2 ? A 25.140 -1.365 -5.166 1.000 1 A 87.800 1
ATOM 39 H HZ . PHE 2 2 ? A 25.395 -0.010 -3.103 1.000 1 A 87.800 1
ATOM 40 N N . ILE 3 3 ? A 23.456 4.825 -7.954 1.000 1 A 92.480 1
ATOM 41 C CA . ILE 3 3 ? A 22.669 5.828 -7.199 1.000 1 A 92.480 1
ATOM 42 C C . ILE 3 3 ? A 21.168 5.751 -7.527 1.000 1 A 92.480 1
ATOM 43 O O . ILE 3 3 ? A 20.330 5.801 -6.629 1.000 1 A 92.480 1
ATOM 44 C CB . ILE 3 3 ? A 23.225 7.255 -7.455 1.000 1 A 92.480 1
ATOM 45 C CG1 . ILE 3 3 ? A 24.702 7.357 -7.000 1.000 1 A 92.480 1
ATOM 46 C CG2 . ILE 3 3 ? A 22.369 8.322 -6.743 1.000 1 A 92.480 1
ATOM 47 C CD1 . ILE 3 3 ? A 25.389 8.679 -7.368 1.000 1 A 92.480 1
ATOM 48 H H . ILE 3 3 ? A 24.290 5.145 -8.426 1.000 1 A 92.480 1
ATOM 49 H HA . ILE 3 3 ? A 22.766 5.613 -6.135 1.000 1 A 92.480 1
ATOM 50 H HB . ILE 3 3 ? A 23.181 7.451 -8.526 1.000 1 A 92.480 1
ATOM 51 H HG12 . ILE 3 3 ? A 24.758 7.221 -5.920 1.000 1 A 92.480 1
ATOM 52 H HG13 . ILE 3 3 ? A 25.285 6.562 -7.466 1.000 1 A 92.480 1
ATOM 53 H HG21 . ILE 3 3 ? A 22.368 8.146 -5.667 1.000 1 A 92.480 1
ATOM 54 H HG22 . ILE 3 3 ? A 21.340 8.306 -7.102 1.000 1 A 92.480 1
ATOM 55 H HG23 . ILE 3 3 ? A 22.755 9.322 -6.938 1.000 1 A 92.480 1
ATOM 56 H HD11 . ILE 3 3 ? A 25.267 8.882 -8.432 1.000 1 A 92.480 1
ATOM 57 H HD12 . ILE 3 3 ? A 26.452 8.606 -7.142 1.000 1 A 92.480 1
ATOM 58 H HD13 . ILE 3 3 ? A 24.975 9.504 -6.787 1.000 1 A 92.480 1
ATOM 59 N N . ILE 4 4 ? A 20.822 5.582 -8.809 1.000 1 A 93.920 1
ATOM 60 C CA . ILE 4 4 ? A 19.423 5.475 -9.255 1.000 1 A 93.920 1
ATOM 61 C C . ILE 4 4 ? A 18.768 4.231 -8.644 1.000 1 A 93.920 1
ATOM 62 O O . ILE 4 4 ? A 17.654 4.319 -8.132 1.000 1 A 93.920 1
ATOM 63 C CB . ILE 4 4 ? A 19.332 5.472 -10.801 1.000 1 A 93.920 1
ATOM 64 C CG1 . ILE 4 4 ? A 19.871 6.804 -11.375 1.000 1 A 93.920 1
ATOM 65 C CG2 . ILE 4 4 ? A 17.883 5.232 -11.265 1.000 1 A 93.920 1
ATOM 66 C CD1 . ILE 4 4 ? A 19.978 6.833 -12.906 1.000 1 A 93.920 1
ATOM 67 H H . ILE 4 4 ? A 21.557 5.512 -9.499 1.000 1 A 93.920 1
ATOM 68 H HA . ILE 4 4 ? A 18.870 6.337 -8.883 1.000 1 A 93.920 1
ATOM 69 H HB . ILE 4 4 ? A 19.948 4.656 -11.180 1.000 1 A 93.920 1
ATOM 70 H HG12 . ILE 4 4 ? A 19.228 7.623 -11.053 1.000 1 A 93.920 1
ATOM 71 H HG13 . ILE 4 4 ? A 20.870 6.991 -10.983 1.000 1 A 93.920 1
ATOM 72 H HG21 . ILE 4 4 ? A 17.526 4.259 -10.928 1.000 1 A 93.920 1
ATOM 73 H HG22 . ILE 4 4 ? A 17.817 5.230 -12.353 1.000 1 A 93.920 1
ATOM 74 H HG23 . ILE 4 4 ? A 17.226 6.007 -10.871 1.000 1 A 93.920 1
ATOM 75 H HD11 . ILE 4 4 ? A 18.989 6.838 -13.363 1.000 1 A 93.920 1
ATOM 76 H HD12 . ILE 4 4 ? A 20.540 5.967 -13.258 1.000 1 A 93.920 1
ATOM 77 H HD13 . ILE 4 4 ? A 20.499 7.740 -13.212 1.000 1 A 93.920 1
ATOM 78 N N . HIS 5 5 ? A 19.471 3.094 -8.638 1.000 1 A 92.780 1
ATOM 79 C CA . HIS 5 5 ? A 18.950 1.855 -8.065 1.000 1 A 92.780 1
ATOM 80 C C . HIS 5 5 ? A 18.672 1.996 -6.561 1.000 1 A 92.780 1
ATOM 81 O O . HIS 5 5 ? A 17.589 1.634 -6.102 1.000 1 A 92.780 1
ATOM 82 C CB . HIS 5 5 ? A 19.929 0.715 -8.360 1.000 1 A 92.780 1
ATOM 83 C CG . HIS 5 5 ? A 19.370 -0.628 -7.979 1.000 1 A 92.780 1
ATOM 84 N ND1 . HIS 5 5 ? A 19.618 -1.315 -6.813 1.000 1 A 92.780 1
ATOM 85 C CD2 . HIS 5 5 ? A 18.504 -1.387 -8.719 1.000 1 A 92.780 1
ATOM 86 C CE1 . HIS 5 5 ? A 18.935 -2.470 -6.863 1.000 1 A 92.780 1
ATOM 87 N NE2 . HIS 5 5 ? A 18.233 -2.554 -8.002 1.000 1 A 92.780 1
ATOM 88 H H . HIS 5 5 ? A 20.408 3.087 -9.016 1.000 1 A 92.780 1
ATOM 89 H HA . HIS 5 5 ? A 18.000 1.624 -8.548 1.000 1 A 92.780 1
ATOM 90 H HB2 . HIS 5 5 ? A 20.862 0.879 -7.820 1.000 1 A 92.780 1
ATOM 91 H HB3 . HIS 5 5 ? A 20.153 0.702 -9.427 1.000 1 A 92.780 1
ATOM 92 H HD1 . HIS 5 5 ? A 20.186 -1.007 -6.036 1.000 1 A 92.780 1
ATOM 93 H HD2 . HIS 5 5 ? A 18.102 -1.133 -9.688 1.000 1 A 92.780 1
ATOM 94 H HE1 . HIS 5 5 ? A 18.943 -3.231 -6.096 1.000 1 A 92.780 1
ATOM 95 N N . THR 6 6 ? A 19.595 2.601 -5.807 1.000 1 A 95.620 1
ATOM 96 C CA . THR 6 6 ? A 19.410 2.865 -4.371 1.000 1 A 95.620 1
ATOM 97 C C . THR 6 6 ? A 18.206 3.768 -4.104 1.000 1 A 95.620 1
ATOM 98 O O . THR 6 6 ? A 17.410 3.477 -3.214 1.000 1 A 95.620 1
ATOM 99 C CB . THR 6 6 ? A 20.678 3.484 -3.770 1.000 1 A 95.620 1
ATOM 100 O OG1 . THR 6 6 ? A 21.765 2.625 -4.018 1.000 1 A 95.620 1
ATOM 101 C CG2 . THR 6 6 ? A 20.593 3.667 -2.256 1.000 1 A 95.620 1
ATOM 102 H H . THR 6 6 ? A 20.492 2.827 -6.212 1.000 1 A 95.620 1
ATOM 103 H HA . THR 6 6 ? A 19.227 1.917 -3.864 1.000 1 A 95.620 1
ATOM 104 H HB . THR 6 6 ? A 20.875 4.450 -4.237 1.000 1 A 95.620 1
ATOM 105 H HG1 . THR 6 6 ? A 22.514 2.928 -3.499 1.000 1 A 95.620 1
ATOM 106 H HG21 . THR 6 6 ? A 19.837 4.416 -2.016 1.000 1 A 95.620 1
ATOM 107 H HG22 . THR 6 6 ? A 21.551 4.012 -1.867 1.000 1 A 95.620 1
ATOM 108 H HG23 . THR 6 6 ? A 20.326 2.723 -1.780 1.000 1 A 95.620 1
ATOM 109 N N . ASN 7 7 ? A 18.012 4.825 -4.896 1.000 1 A 93.140 1
ATOM 110 C CA . ASN 7 7 ? A 16.867 5.725 -4.732 1.000 1 A 93.140 1
ATOM 111 C C . ASN 7 7 ? A 15.531 5.027 -5.017 1.000 1 A 93.140 1
ATOM 112 O O . ASN 7 7 ? A 14.571 5.227 -4.274 1.000 1 A 93.140 1
ATOM 113 C CB . ASN 7 7 ? A 17.059 6.960 -5.626 1.000 1 A 93.140 1
ATOM 114 C CG . ASN 7 7 ? A 18.127 7.904 -5.106 1.000 1 A 93.140 1
ATOM 115 O OD1 . ASN 7 7 ? A 18.588 7.822 -3.981 1.000 1 A 93.140 1
ATOM 116 N ND2 . ASN 7 7 ? A 18.534 8.863 -5.904 1.000 1 A 93.140 1
ATOM 117 H H . ASN 7 7 ? A 18.704 5.041 -5.599 1.000 1 A 93.140 1
ATOM 118 H HA . ASN 7 7 ? A 16.825 6.054 -3.693 1.000 1 A 93.140 1
ATOM 119 H HB2 . ASN 7 7 ? A 16.124 7.519 -5.666 1.000 1 A 93.140 1
ATOM 120 H HB3 . ASN 7 7 ? A 17.314 6.646 -6.639 1.000 1 A 93.140 1
ATOM 121 H HD21 . ASN 7 7 ? A 18.120 8.986 -6.817 1.000 1 A 93.140 1
ATOM 122 H HD22 . ASN 7 7 ? A 19.207 9.503 -5.508 1.000 1 A 93.140 1
ATOM 123 N N . ILE 8 8 ? A 15.472 4.174 -6.046 1.000 1 A 96.490 1
ATOM 124 C CA . ILE 8 8 ? A 14.271 3.391 -6.367 1.000 1 A 96.490 1
ATOM 125 C C . ILE 8 8 ? A 13.971 2.383 -5.247 1.000 1 A 96.490 1
ATOM 126 O O . ILE 8 8 ? A 12.835 2.310 -4.781 1.000 1 A 96.490 1
ATOM 127 C CB . ILE 8 8 ? A 14.416 2.721 -7.754 1.000 1 A 96.490 1
ATOM 128 C CG1 . ILE 8 8 ? A 14.427 3.794 -8.869 1.000 1 A 96.490 1
ATOM 129 C CG2 . ILE 8 8 ? A 13.270 1.726 -8.004 1.000 1 A 96.490 1
ATOM 130 C CD1 . ILE 8 8 ? A 14.804 3.248 -10.253 1.000 1 A 96.490 1
ATOM 131 H H . ILE 8 8 ? A 16.292 4.060 -6.625 1.000 1 A 96.490 1
ATOM 132 H HA . ILE 8 8 ? A 13.418 4.069 -6.412 1.000 1 A 96.490 1
ATOM 133 H HB . ILE 8 8 ? A 15.358 2.173 -7.780 1.000 1 A 96.490 1
ATOM 134 H HG12 . ILE 8 8 ? A 15.145 4.575 -8.621 1.000 1 A 96.490 1
ATOM 135 H HG13 . ILE 8 8 ? A 13.445 4.262 -8.930 1.000 1 A 96.490 1
ATOM 136 H HG21 . ILE 8 8 ? A 12.310 2.236 -7.918 1.000 1 A 96.490 1
ATOM 137 H HG22 . ILE 8 8 ? A 13.352 1.280 -8.995 1.000 1 A 96.490 1
ATOM 138 H HG23 . ILE 8 8 ? A 13.313 0.907 -7.286 1.000 1 A 96.490 1
ATOM 139 H HD11 . ILE 8 8 ? A 14.929 4.082 -10.943 1.000 1 A 96.490 1
ATOM 140 H HD12 . ILE 8 8 ? A 15.740 2.694 -10.191 1.000 1 A 96.490 1
ATOM 141 H HD13 . ILE 8 8 ? A 14.018 2.599 -10.641 1.000 1 A 96.490 1
ATOM 142 N N . MET 9 9 ? A 14.976 1.649 -4.755 1.000 1 A 94.930 1
ATOM 143 C CA . MET 9 9 ? A 14.799 0.734 -3.618 1.000 1 A 94.930 1
ATOM 144 C C . MET 9 9 ? A 14.327 1.467 -2.355 1.000 1 A 94.930 1
ATOM 145 O O . MET 9 9 ? A 13.404 1.001 -1.685 1.000 1 A 94.930 1
ATOM 146 C CB . MET 9 9 ? A 16.104 -0.013 -3.316 1.000 1 A 94.930 1
ATOM 147 C CG . MET 9 9 ? A 16.392 -1.141 -4.307 1.000 1 A 94.930 1
ATOM 148 S SD . MET 9 9 ? A 17.826 -2.127 -3.797 1.000 1 A 94.930 1
ATOM 149 C CE . MET 9 9 ? A 17.106 -3.791 -3.815 1.000 1 A 94.930 1
ATOM 150 H H . MET 9 9 ? A 15.893 1.738 -5.169 1.000 1 A 94.930 1
ATOM 151 H HA . MET 9 9 ? A 14.029 0.004 -3.868 1.000 1 A 94.930 1
ATOM 152 H HB2 . MET 9 9 ? A 16.941 0.685 -3.301 1.000 1 A 94.930 1
ATOM 153 H HB3 . MET 9 9 ? A 16.021 -0.462 -2.326 1.000 1 A 94.930 1
ATOM 154 H HG2 . MET 9 9 ? A 16.582 -0.721 -5.295 1.000 1 A 94.930 1
ATOM 155 H HG3 . MET 9 9 ? A 15.517 -1.788 -4.370 1.000 1 A 94.930 1
ATOM 156 H HE1 . MET 9 9 ? A 16.280 -3.841 -3.106 1.000 1 A 94.930 1
ATOM 157 H HE2 . MET 9 9 ? A 16.740 -4.021 -4.816 1.000 1 A 94.930 1
ATOM 158 H HE3 . MET 9 9 ? A 17.867 -4.519 -3.534 1.000 1 A 94.930 1
ATOM 159 N N . ASN 10 10 ? A 14.901 2.635 -2.057 1.000 1 A 93.270 1
ATOM 160 C CA . ASN 10 10 ? A 14.481 3.470 -0.930 1.000 1 A 93.270 1
ATOM 161 C C . ASN 10 10 ? A 13.041 3.969 -1.092 1.000 1 A 93.270 1
ATOM 162 O O . ASN 10 10 ? A 12.278 3.956 -0.128 1.000 1 A 93.270 1
ATOM 163 C CB . ASN 10 10 ? A 15.460 4.647 -0.776 1.000 1 A 93.270 1
ATOM 164 C CG . ASN 10 10 ? A 16.785 4.244 -0.154 1.000 1 A 93.270 1
ATOM 165 O OD1 . ASN 10 10 ? A 16.945 3.182 0.421 1.000 1 A 93.270 1
ATOM 166 N ND2 . ASN 10 10 ? A 17.771 5.107 -0.206 1.000 1 A 93.270 1
ATOM 167 H H . ASN 10 10 ? A 15.692 2.938 -2.607 1.000 1 A 93.270 1
ATOM 168 H HA . ASN 10 10 ? A 14.504 2.872 -0.019 1.000 1 A 93.270 1
ATOM 169 H HB2 . ASN 10 10 ? A 15.640 5.111 -1.746 1.000 1 A 93.270 1
ATOM 170 H HB3 . ASN 10 10 ? A 15.015 5.393 -0.118 1.000 1 A 93.270 1
ATOM 171 H HD21 . ASN 10 10 ? A 17.668 5.988 -0.689 1.000 1 A 93.270 1
ATOM 172 H HD22 . ASN 10 10 ? A 18.630 4.820 0.242 1.000 1 A 93.270 1
ATOM 173 N N . PHE 11 11 ? A 12.637 4.355 -2.304 1.000 1 A 97.380 1
ATOM 174 C CA . PHE 11 11 ? A 11.263 4.754 -2.599 1.000 1 A 97.380 1
ATOM 175 C C . PHE 11 11 ? A 10.266 3.619 -2.314 1.000 1 A 97.380 1
ATOM 176 O O . PHE 11 11 ? A 9.295 3.822 -1.582 1.000 1 A 97.380 1
ATOM 177 C CB . PHE 11 11 ? A 11.190 5.239 -4.050 1.000 1 A 97.380 1
ATOM 178 C CG . PHE 11 11 ? A 9.806 5.669 -4.479 1.000 1 A 97.380 1
ATOM 179 C CD1 . PHE 11 11 ? A 9.035 4.844 -5.318 1.000 1 A 97.380 1
ATOM 180 C CD2 . PHE 11 11 ? A 9.292 6.903 -4.040 1.000 1 A 97.380 1
ATOM 181 C CE1 . PHE 11 11 ? A 7.764 5.268 -5.741 1.000 1 A 97.380 1
ATOM 182 C CE2 . PHE 11 11 ? A 8.015 7.319 -4.451 1.000 1 A 97.380 1
ATOM 183 C CZ . PHE 11 11 ? A 7.256 6.508 -5.312 1.000 1 A 97.380 1
ATOM 184 H H . PHE 11 11 ? A 13.312 4.381 -3.055 1.000 1 A 97.380 1
ATOM 185 H HA . PHE 11 11 ? A 10.993 5.587 -1.949 1.000 1 A 97.380 1
ATOM 186 H HB2 . PHE 11 11 ? A 11.533 4.450 -4.720 1.000 1 A 97.380 1
ATOM 187 H HB3 . PHE 11 11 ? A 11.866 6.085 -4.173 1.000 1 A 97.380 1
ATOM 188 H HD1 . PHE 11 11 ? A 9.422 3.893 -5.653 1.000 1 A 97.380 1
ATOM 189 H HD2 . PHE 11 11 ? A 9.882 7.538 -3.396 1.000 1 A 97.380 1
ATOM 190 H HE1 . PHE 11 11 ? A 7.178 4.645 -6.400 1.000 1 A 97.380 1
ATOM 191 H HE2 . PHE 11 11 ? A 7.622 8.269 -4.121 1.000 1 A 97.380 1
ATOM 192 H HZ . PHE 11 11 ? A 6.281 6.835 -5.641 1.000 1 A 97.380 1
ATOM 193 N N . PHE 12 12 ? A 10.545 2.400 -2.791 1.000 1 A 96.670 1
ATOM 194 C CA . PHE 12 12 ? A 9.716 1.228 -2.483 1.000 1 A 96.670 1
ATOM 195 C C . PHE 12 12 ? A 9.697 0.892 -0.983 1.000 1 A 96.670 1
ATOM 196 O O . PHE 12 12 ? A 8.641 0.550 -0.443 1.000 1 A 96.670 1
ATOM 197 C CB . PHE 12 12 ? A 10.190 0.019 -3.304 1.000 1 A 96.670 1
ATOM 198 C CG . PHE 12 12 ? A 9.731 0.032 -4.749 1.000 1 A 96.670 1
ATOM 199 C CD1 . PHE 12 12 ? A 8.363 -0.116 -5.047 1.000 1 A 96.670 1
ATOM 200 C CD2 . PHE 12 12 ? A 10.659 0.157 -5.800 1.000 1 A 96.670 1
ATOM 201 C CE1 . PHE 12 12 ? A 7.924 -0.121 -6.382 1.000 1 A 96.670 1
ATOM 202 C CE2 . PHE 12 12 ? A 10.219 0.152 -7.136 1.000 1 A 96.670 1
ATOM 203 C CZ . PHE 12 12 ? A 8.852 0.018 -7.427 1.000 1 A 96.670 1
ATOM 204 H H . PHE 12 12 ? A 11.350 2.288 -3.390 1.000 1 A 96.670 1
ATOM 205 H HA . PHE 12 12 ? A 8.687 1.453 -2.762 1.000 1 A 96.670 1
ATOM 206 H HB2 . PHE 12 12 ? A 11.277 -0.049 -3.257 1.000 1 A 96.670 1
ATOM 207 H HB3 . PHE 12 12 ? A 9.789 -0.886 -2.848 1.000 1 A 96.670 1
ATOM 208 H HD1 . PHE 12 12 ? A 7.644 -0.225 -4.248 1.000 1 A 96.670 1
ATOM 209 H HD2 . PHE 12 12 ? A 11.713 0.240 -5.583 1.000 1 A 96.670 1
ATOM 210 H HE1 . PHE 12 12 ? A 6.873 -0.231 -6.607 1.000 1 A 96.670 1
ATOM 211 H HE2 . PHE 12 12 ? A 10.931 0.232 -7.944 1.000 1 A 96.670 1
ATOM 212 H HZ . PHE 12 12 ? A 8.516 0.011 -8.454 1.000 1 A 96.670 1
ATOM 213 N N . CYS 13 13 ? A 10.833 1.022 -0.290 1.000 1 A 97.760 1
ATOM 214 C CA . CYS 13 13 ? A 10.920 0.819 1.158 1.000 1 A 97.760 1
ATOM 215 C C . CYS 13 13 ? A 10.037 1.817 1.929 1.000 1 A 97.760 1
ATOM 216 O O . CYS 13 13 ? A 9.247 1.411 2.784 1.000 1 A 97.760 1
ATOM 217 C CB . CYS 13 13 ? A 12.391 0.915 1.582 1.000 1 A 97.760 1
ATOM 218 S SG . CYS 13 13 ? A 12.553 0.368 3.305 1.000 1 A 97.760 1
ATOM 219 H H . CYS 13 13 ? A 11.674 1.272 -0.790 1.000 1 A 97.760 1
ATOM 220 H HA . CYS 13 13 ? A 10.558 -0.182 1.392 1.000 1 A 97.760 1
ATOM 221 H HB2 . CYS 13 13 ? A 12.736 1.945 1.490 1.000 1 A 97.760 1
ATOM 222 H HB3 . CYS 13 13 ? A 13.004 0.282 0.941 1.000 1 A 97.760 1
ATOM 223 H HG . CYS 13 13 ? A 13.834 0.715 3.463 1.000 1 A 97.760 1
ATOM 224 N N . ASN 14 14 ? A 10.094 3.102 1.569 1.000 1 A 90.160 1
ATOM 225 C CA . ASN 14 14 ? A 9.297 4.157 2.196 1.000 1 A 90.160 1
ATOM 226 C C . ASN 14 14 ? A 7.790 3.951 1.988 1.000 1 A 90.160 1
ATOM 227 O O . ASN 14 14 ? A 7.023 4.104 2.938 1.000 1 A 90.160 1
ATOM 228 C CB . ASN 14 14 ? A 9.765 5.520 1.658 1.000 1 A 90.160 1
ATOM 229 C CG . ASN 14 14 ? A 11.109 5.952 2.221 1.000 1 A 90.160 1
ATOM 230 O OD1 . ASN 14 14 ? A 11.558 5.502 3.260 1.000 1 A 90.160 1
ATOM 231 N ND2 . ASN 14 14 ? A 11.780 6.876 1.574 1.000 1 A 90.160 1
ATOM 232 H H . ASN 14 14 ? A 10.777 3.372 0.875 1.000 1 A 90.160 1
ATOM 233 H HA . ASN 14 14 ? A 9.468 4.130 3.272 1.000 1 A 90.160 1
ATOM 234 H HB2 . ASN 14 14 ? A 9.823 5.487 0.570 1.000 1 A 90.160 1
ATOM 235 H HB3 . ASN 14 14 ? A 9.041 6.284 1.939 1.000 1 A 90.160 1
ATOM 236 H HD21 . ASN 14 14 ? A 11.425 7.266 0.713 1.000 1 A 90.160 1
ATOM 237 H HD22 . ASN 14 14 ? A 12.656 7.153 1.992 1.000 1 A 90.160 1
ATOM 238 N N . ILE 15 15 ? A 7.357 3.528 0.794 1.000 1 A 96.230 1
ATOM 239 C CA . ILE 15 15 ? A 5.949 3.171 0.543 1.000 1 A 96.230 1
ATOM 240 C C . ILE 15 15 ? A 5.527 1.993 1.427 1.000 1 A 96.230 1
ATOM 241 O O . ILE 15 15 ? A 4.455 2.021 2.036 1.000 1 A 96.230 1
ATOM 242 C CB . ILE 15 15 ? A 5.716 2.862 -0.954 1.000 1 A 96.230 1
ATOM 243 C CG1 . ILE 15 15 ? A 5.850 4.157 -1.783 1.000 1 A 96.230 1
ATOM 244 C CG2 . ILE 15 15 ? A 4.315 2.245 -1.180 1.000 1 A 96.230 1
ATOM 245 C CD1 . ILE 15 15 ? A 5.953 3.909 -3.290 1.000 1 A 96.230 1
ATOM 246 H H . ILE 15 15 ? A 8.022 3.461 0.037 1.000 1 A 96.230 1
ATOM 247 H HA . ILE 15 15 ? A 5.318 4.016 0.817 1.000 1 A 96.230 1
ATOM 248 H HB . ILE 15 15 ? A 6.468 2.147 -1.285 1.000 1 A 96.230 1
ATOM 249 H HG12 . ILE 15 15 ? A 4.986 4.793 -1.592 1.000 1 A 96.230 1
ATOM 250 H HG13 . ILE 15 15 ? A 6.739 4.711 -1.482 1.000 1 A 96.230 1
ATOM 251 H HG21 . ILE 15 15 ? A 4.204 1.305 -0.640 1.000 1 A 96.230 1
ATOM 252 H HG22 . ILE 15 15 ? A 4.153 2.017 -2.234 1.000 1 A 96.230 1
ATOM 253 H HG23 . ILE 15 15 ? A 3.543 2.938 -0.846 1.000 1 A 96.230 1
ATOM 254 H HD11 . ILE 15 15 ? A 5.898 4.874 -3.795 1.000 1 A 96.230 1
ATOM 255 H HD12 . ILE 15 15 ? A 6.904 3.428 -3.518 1.000 1 A 96.230 1
ATOM 256 H HD13 . ILE 15 15 ? A 5.131 3.295 -3.658 1.000 1 A 96.230 1
ATOM 257 N N . LYS 16 16 ? A 6.371 0.960 1.541 1.000 1 A 93.820 1
ATOM 258 C CA . LYS 16 16 ? A 6.076 -0.207 2.382 1.000 1 A 93.820 1
ATOM 259 C C . LYS 16 16 ? A 5.970 0.173 3.863 1.000 1 A 93.820 1
ATOM 260 O O . LYS 16 16 ? A 5.067 -0.310 4.548 1.000 1 A 93.820 1
ATOM 261 C CB . LYS 16 16 ? A 7.133 -1.290 2.126 1.000 1 A 93.820 1
ATOM 262 C CG . LYS 16 16 ? A 6.732 -2.632 2.753 1.000 1 A 93.820 1
ATOM 263 C CD . LYS 16 16 ? A 7.755 -3.716 2.394 1.000 1 A 93.820 1
ATOM 264 C CE . LYS 16 16 ? A 7.317 -5.076 2.950 1.000 1 A 93.820 1
ATOM 265 N NZ . LYS 16 16 ? A 8.284 -6.144 2.590 1.000 1 A 93.820 1
ATOM 266 H H . LYS 16 16 ? A 7.235 0.987 1.018 1.000 1 A 93.820 1
ATOM 267 H HA . LYS 16 16 ? A 5.099 -0.593 2.090 1.000 1 A 93.820 1
ATOM 268 H HB2 . LYS 16 16 ? A 7.237 -1.425 1.049 1.000 1 A 93.820 1
ATOM 269 H HB3 . LYS 16 16 ? A 8.095 -0.969 2.526 1.000 1 A 93.820 1
ATOM 270 H HG2 . LYS 16 16 ? A 5.752 -2.925 2.378 1.000 1 A 93.820 1
ATOM 271 H HG3 . LYS 16 16 ? A 6.683 -2.532 3.838 1.000 1 A 93.820 1
ATOM 272 H HD2 . LYS 16 16 ? A 8.725 -3.441 2.809 1.000 1 A 93.820 1
ATOM 273 H HD3 . LYS 16 16 ? A 7.840 -3.777 1.309 1.000 1 A 93.820 1
ATOM 274 H HE2 . LYS 16 16 ? A 7.231 -4.995 4.034 1.000 1 A 93.820 1
ATOM 275 H HE3 . LYS 16 16 ? A 6.331 -5.312 2.550 1.000 1 A 93.820 1
ATOM 276 H HZ1 . LYS 16 16 ? A 9.200 -5.931 2.960 1.000 1 A 93.820 1
ATOM 277 H HZ2 . LYS 16 16 ? A 7.994 -7.038 2.960 1.000 1 A 93.820 1
ATOM 278 H HZ3 . LYS 16 16 ? A 8.366 -6.226 1.586 1.000 1 A 93.820 1
ATOM 279 N N . LEU 17 17 ? A 6.849 1.052 4.346 1.000 1 A 94.440 1
ATOM 280 C CA . LEU 17 17 ? A 6.821 1.555 5.720 1.000 1 A 94.440 1
ATOM 281 C C . LEU 17 17 ? A 5.567 2.398 5.987 1.000 1 A 94.440 1
ATOM 282 O O . LEU 17 17 ? A 4.905 2.202 7.005 1.000 1 A 94.440 1
ATOM 283 C CB . LEU 17 17 ? A 8.107 2.357 5.984 1.000 1 A 94.440 1
ATOM 284 C CG . LEU 17 17 ? A 8.272 2.789 7.454 1.000 1 A 94.440 1
ATOM 285 C CD1 . LEU 17 17 ? A 8.508 1.588 8.376 1.000 1 A 94.440 1
ATOM 286 C CD2 . LEU 17 17 ? A 9.461 3.738 7.583 1.000 1 A 94.440 1
ATOM 287 H H . LEU 17 17 ? A 7.584 1.373 3.733 1.000 1 A 94.440 1
ATOM 288 H HA . LEU 17 17 ? A 6.792 0.696 6.390 1.000 1 A 94.440 1
ATOM 289 H HB2 . LEU 17 17 ? A 8.100 3.247 5.355 1.000 1 A 94.440 1
ATOM 290 H HB3 . LEU 17 17 ? A 8.970 1.755 5.698 1.000 1 A 94.440 1
ATOM 291 H HG . LEU 17 17 ? A 7.381 3.321 7.785 1.000 1 A 94.440 1
ATOM 292 H HD11 . LEU 17 17 ? A 8.694 1.942 9.390 1.000 1 A 94.440 1
ATOM 293 H HD12 . LEU 17 17 ? A 7.627 0.946 8.397 1.000 1 A 94.440 1
ATOM 294 H HD13 . LEU 17 17 ? A 9.372 1.019 8.035 1.000 1 A 94.440 1
ATOM 295 H HD21 . LEU 17 17 ? A 10.379 3.239 7.272 1.000 1 A 94.440 1
ATOM 296 H HD22 . LEU 17 17 ? A 9.305 4.614 6.953 1.000 1 A 94.440 1
ATOM 297 H HD23 . LEU 17 17 ? A 9.564 4.068 8.616 1.000 1 A 94.440 1
ATOM 298 N N . PHE 18 18 ? A 5.198 3.274 5.050 1.000 1 A 95.530 1
ATOM 299 C CA . PHE 18 18 ? A 3.969 4.061 5.122 1.000 1 A 95.530 1
ATOM 300 C C . PHE 18 18 ? A 2.737 3.151 5.217 1.000 1 A 95.530 1
ATOM 301 O O . PHE 18 18 ? A 1.945 3.283 6.146 1.000 1 A 95.530 1
ATOM 302 C CB . PHE 18 18 ? A 3.914 4.989 3.904 1.000 1 A 95.530 1
ATOM 303 C CG . PHE 18 18 ? A 2.749 5.956 3.889 1.000 1 A 95.530 1
ATOM 304 C CD1 . PHE 18 18 ? A 1.545 5.604 3.250 1.000 1 A 95.530 1
ATOM 305 C CD2 . PHE 18 18 ? A 2.899 7.239 4.446 1.000 1 A 95.530 1
ATOM 306 C CE1 . PHE 18 18 ? A 0.504 6.543 3.144 1.000 1 A 95.530 1
ATOM 307 C CE2 . PHE 18 18 ? A 1.874 8.190 4.305 1.000 1 A 95.530 1
ATOM 308 C CZ . PHE 18 18 ? A 0.677 7.842 3.651 1.000 1 A 95.530 1
ATOM 309 H H . PHE 18 18 ? A 5.804 3.416 4.255 1.000 1 A 95.530 1
ATOM 310 H HA . PHE 18 18 ? A 3.997 4.676 6.021 1.000 1 A 95.530 1
ATOM 311 H HB2 . PHE 18 18 ? A 3.881 4.391 2.994 1.000 1 A 95.530 1
ATOM 312 H HB3 . PHE 18 18 ? A 4.836 5.570 3.870 1.000 1 A 95.530 1
ATOM 313 H HD1 . PHE 18 18 ? A 1.425 4.622 2.817 1.000 1 A 95.530 1
ATOM 314 H HD2 . PHE 18 18 ? A 3.824 7.517 4.929 1.000 1 A 95.530 1
ATOM 315 H HE1 . PHE 18 18 ? A -0.419 6.278 2.649 1.000 1 A 95.530 1
ATOM 316 H HE2 . PHE 18 18 ? A 2.005 9.190 4.692 1.000 1 A 95.530 1
ATOM 317 H HZ . PHE 18 18 ? A -0.114 8.570 3.547 1.000 1 A 95.530 1
ATOM 318 N N . LEU 19 19 ? A 2.613 2.144 4.346 1.000 1 A 91.890 1
ATOM 319 C CA . LEU 19 19 ? A 1.513 1.173 4.401 1.000 1 A 91.890 1
ATOM 320 C C . LEU 19 19 ? A 1.462 0.406 5.731 1.000 1 A 91.890 1
ATOM 321 O O . LEU 19 19 ? A 0.378 0.163 6.261 1.000 1 A 91.890 1
ATOM 322 C CB . LEU 19 19 ? A 1.646 0.186 3.228 1.000 1 A 91.890 1
ATOM 323 C CG . LEU 19 19 ? A 1.322 0.785 1.848 1.000 1 A 91.890 1
ATOM 324 C CD1 . LEU 19 19 ? A 1.683 -0.234 0.767 1.000 1 A 91.890 1
ATOM 325 C CD2 . LEU 19 19 ? A -0.163 1.130 1.709 1.000 1 A 91.890 1
ATOM 326 H H . LEU 19 19 ? A 3.291 2.073 3.600 1.000 1 A 91.890 1
ATOM 327 H HA . LEU 19 19 ? A 0.568 1.710 4.320 1.000 1 A 91.890 1
ATOM 328 H HB2 . LEU 19 19 ? A 2.665 -0.201 3.217 1.000 1 A 91.890 1
ATOM 329 H HB3 . LEU 19 19 ? A 0.975 -0.655 3.400 1.000 1 A 91.890 1
ATOM 330 H HG . LEU 19 19 ? A 1.905 1.691 1.683 1.000 1 A 91.890 1
ATOM 331 H HD11 . LEU 19 19 ? A 1.102 -1.148 0.895 1.000 1 A 91.890 1
ATOM 332 H HD12 . LEU 19 19 ? A 1.471 0.190 -0.215 1.000 1 A 91.890 1
ATOM 333 H HD13 . LEU 19 19 ? A 2.747 -0.461 0.818 1.000 1 A 91.890 1
ATOM 334 H HD21 . LEU 19 19 ? A -0.434 1.931 2.397 1.000 1 A 91.890 1
ATOM 335 H HD22 . LEU 19 19 ? A -0.359 1.483 0.697 1.000 1 A 91.890 1
ATOM 336 H HD23 . LEU 19 19 ? A -0.779 0.253 1.906 1.000 1 A 91.890 1
ATOM 337 N N . TYR 20 20 ? A 2.613 0.044 6.302 1.000 1 A 95.000 1
ATOM 338 C CA . TYR 20 20 ? A 2.674 -0.602 7.614 1.000 1 A 95.000 1
ATOM 339 C C . TYR 20 20 ? A 2.218 0.332 8.742 1.000 1 A 95.000 1
ATOM 340 O O . TYR 20 20 ? A 1.441 -0.075 9.609 1.000 1 A 95.000 1
ATOM 341 C CB . TYR 20 20 ? A 4.095 -1.112 7.870 1.000 1 A 95.000 1
ATOM 342 C CG . TYR 20 20 ? A 4.216 -1.878 9.171 1.000 1 A 95.000 1
ATOM 343 C CD1 . TYR 20 20 ? A 4.732 -1.251 10.322 1.000 1 A 95.000 1
ATOM 344 C CD2 . TYR 20 20 ? A 3.786 -3.217 9.229 1.000 1 A 95.000 1
ATOM 345 C CE1 . TYR 20 20 ? A 4.828 -1.965 11.532 1.000 1 A 95.000 1
ATOM 346 C CE2 . TYR 20 20 ? A 3.877 -3.934 10.437 1.000 1 A 95.000 1
ATOM 347 C CZ . TYR 20 20 ? A 4.402 -3.310 11.588 1.000 1 A 95.000 1
ATOM 348 O OH . TYR 20 20 ? A 4.493 -4.019 12.742 1.000 1 A 95.000 1
ATOM 349 H H . TYR 20 20 ? A 3.476 0.249 5.819 1.000 1 A 95.000 1
ATOM 350 H HA . TYR 20 20 ? A 2.001 -1.460 7.610 1.000 1 A 95.000 1
ATOM 351 H HB2 . TYR 20 20 ? A 4.390 -1.766 7.050 1.000 1 A 95.000 1
ATOM 352 H HB3 . TYR 20 20 ? A 4.789 -0.271 7.883 1.000 1 A 95.000 1
ATOM 353 H HD1 . TYR 20 20 ? A 5.063 -0.224 10.276 1.000 1 A 95.000 1
ATOM 354 H HD2 . TYR 20 20 ? A 3.401 -3.697 8.341 1.000 1 A 95.000 1
ATOM 355 H HE1 . TYR 20 20 ? A 5.237 -1.488 12.411 1.000 1 A 95.000 1
ATOM 356 H HE2 . TYR 20 20 ? A 3.573 -4.968 10.496 1.000 1 A 95.000 1
ATOM 357 H HH . TYR 20 20 ? A 4.935 -3.528 13.440 1.000 1 A 95.000 1
ATOM 358 N N . HIS 21 21 ? A 2.646 1.593 8.705 1.000 1 A 90.650 1
ATOM 359 C CA . HIS 21 21 ? A 2.239 2.610 9.668 1.000 1 A 90.650 1
ATOM 360 C C . HIS 21 21 ? A 0.724 2.855 9.617 1.000 1 A 90.650 1
ATOM 361 O O . HIS 21 21 ? A 0.051 2.765 10.645 1.000 1 A 90.650 1
ATOM 362 C CB . HIS 21 21 ? A 3.038 3.887 9.400 1.000 1 A 90.650 1
ATOM 363 C CG . HIS 21 21 ? A 2.765 4.956 10.418 1.000 1 A 90.650 1
ATOM 364 N ND1 . HIS 21 21 ? A 1.863 5.985 10.291 1.000 1 A 90.650 1
ATOM 365 C CD2 . HIS 21 21 ? A 3.392 5.110 11.624 1.000 1 A 90.650 1
ATOM 366 C CE1 . HIS 21 21 ? A 1.978 6.763 11.380 1.000 1 A 90.650 1
ATOM 367 N NE2 . HIS 21 21 ? A 2.869 6.248 12.238 1.000 1 A 90.650 1
ATOM 368 H H . HIS 21 21 ? A 3.286 1.865 7.972 1.000 1 A 90.650 1
ATOM 369 H HA . HIS 21 21 ? A 2.482 2.258 10.670 1.000 1 A 90.650 1
ATOM 370 H HB2 . HIS 21 21 ? A 2.801 4.275 8.409 1.000 1 A 90.650 1
ATOM 371 H HB3 . HIS 21 21 ? A 4.103 3.654 9.422 1.000 1 A 90.650 1
ATOM 372 H HD1 . HIS 21 21 ? A 1.286 6.187 9.487 1.000 1 A 90.650 1
ATOM 373 H HD2 . HIS 21 21 ? A 4.173 4.478 12.022 1.000 1 A 90.650 1
ATOM 374 H HE1 . HIS 21 21 ? A 1.444 7.688 11.540 1.000 1 A 90.650 1
ATOM 375 N N . PHE 22 22 ? A 0.159 3.049 8.420 1.000 1 A 92.950 1
ATOM 376 C CA . PHE 22 22 ? A -1.289 3.170 8.236 1.000 1 A 92.950 1
ATOM 377 C C . PHE 22 22 ? A -2.025 1.912 8.690 1.000 1 A 92.950 1
ATOM 378 O O . PHE 22 22 ? A -3.023 2.016 9.396 1.000 1 A 92.950 1
ATOM 379 C CB . PHE 22 22 ? A -1.622 3.518 6.778 1.000 1 A 92.950 1
ATOM 380 C CG . PHE 22 22 ? A -1.588 5.012 6.547 1.000 1 A 92.950 1
ATOM 381 C CD1 . PHE 22 22 ? A -2.768 5.773 6.651 1.000 1 A 92.950 1
ATOM 382 C CD2 . PHE 22 22 ? A -0.363 5.667 6.360 1.000 1 A 92.950 1
ATOM 383 C CE1 . PHE 22 22 ? A -2.721 7.173 6.529 1.000 1 A 92.950 1
ATOM 384 C CE2 . PHE 22 22 ? A -0.314 7.064 6.324 1.000 1 A 92.950 1
ATOM 385 C CZ . PHE 22 22 ? A -1.490 7.822 6.358 1.000 1 A 92.950 1
ATOM 386 H H . PHE 22 22 ? A 0.756 3.109 7.607 1.000 1 A 92.950 1
ATOM 387 H HA . PHE 22 22 ? A -1.653 3.983 8.864 1.000 1 A 92.950 1
ATOM 388 H HB2 . PHE 22 22 ? A -0.930 3.018 6.101 1.000 1 A 92.950 1
ATOM 389 H HB3 . PHE 22 22 ? A -2.625 3.163 6.543 1.000 1 A 92.950 1
ATOM 390 H HD1 . PHE 22 22 ? A -3.718 5.286 6.813 1.000 1 A 92.950 1
ATOM 391 H HD2 . PHE 22 22 ? A 0.564 5.115 6.318 1.000 1 A 92.950 1
ATOM 392 H HE1 . PHE 22 22 ? A -3.632 7.750 6.582 1.000 1 A 92.950 1
ATOM 393 H HE2 . PHE 22 22 ? A 0.644 7.563 6.308 1.000 1 A 92.950 1
ATOM 394 H HZ . PHE 22 22 ? A -1.446 8.900 6.300 1.000 1 A 92.950 1
ATOM 395 N N . ARG 23 23 ? A -1.511 0.714 8.386 1.000 1 A 89.170 1
ATOM 396 C CA . ARG 23 23 ? A -2.100 -0.545 8.865 1.000 1 A 89.170 1
ATOM 397 C C . ARG 23 23 ? A -2.132 -0.623 10.391 1.000 1 A 89.170 1
ATOM 398 O O . ARG 23 23 ? A -3.126 -1.082 10.951 1.000 1 A 89.170 1
ATOM 399 C CB . ARG 23 23 ? A -1.333 -1.723 8.251 1.000 1 A 89.170 1
ATOM 400 C CG . ARG 23 23 ? A -2.006 -3.063 8.568 1.000 1 A 89.170 1
ATOM 401 C CD . ARG 23 23 ? A -1.266 -4.204 7.866 1.000 1 A 89.170 1
ATOM 402 N NE . ARG 23 23 ? A -2.032 -5.464 7.951 1.000 1 A 89.170 1
ATOM 403 C CZ . ARG 23 23 ? A -1.695 -6.617 7.397 1.000 1 A 89.170 1
ATOM 404 N NH1 . ARG 23 23 ? A -0.599 -6.757 6.707 1.000 1 A 89.170 1
ATOM 405 N NH2 . ARG 23 23 ? A -2.466 -7.661 7.518 1.000 1 A 89.170 1
ATOM 406 H H . ARG 23 23 ? A -0.709 0.681 7.772 1.000 1 A 89.170 1
ATOM 407 H HA . ARG 23 23 ? A -3.136 -0.577 8.528 1.000 1 A 89.170 1
ATOM 408 H HB2 . ARG 23 23 ? A -1.313 -1.596 7.169 1.000 1 A 89.170 1
ATOM 409 H HB3 . ARG 23 23 ? A -0.308 -1.735 8.622 1.000 1 A 89.170 1
ATOM 410 H HG2 . ARG 23 23 ? A -3.036 -3.029 8.214 1.000 1 A 89.170 1
ATOM 411 H HG3 . ARG 23 23 ? A -2.001 -3.244 9.643 1.000 1 A 89.170 1
ATOM 412 H HD2 . ARG 23 23 ? A -0.286 -4.326 8.327 1.000 1 A 89.170 1
ATOM 413 H HD3 . ARG 23 23 ? A -1.130 -3.937 6.818 1.000 1 A 89.170 1
ATOM 414 H HE . ARG 23 23 ? A -2.971 -5.394 8.315 1.000 1 A 89.170 1
ATOM 415 H HH11 . ARG 23 23 ? A -0.373 -7.636 6.264 1.000 1 A 89.170 1
ATOM 416 H HH12 . ARG 23 23 ? A -0.006 -5.953 6.558 1.000 1 A 89.170 1
ATOM 417 H HH21 . ARG 23 23 ? A -2.208 -8.519 7.052 1.000 1 A 89.170 1
ATOM 418 H HH22 . ARG 23 23 ? A -3.418 -7.570 7.842 1.000 1 A 89.170 1
ATOM 419 N N . SER 24 24 ? A -1.065 -0.190 11.058 1.000 1 A 88.480 1
ATOM 420 C CA . SER 24 24 ? A -0.980 -0.162 12.520 1.000 1 A 88.480 1
ATOM 421 C C . SER 24 24 ? A -1.986 0.824 13.123 1.000 1 A 88.480 1
ATOM 422 O O . SER 24 24 ? A -2.758 0.449 14.009 1.000 1 A 88.480 1
ATOM 423 C CB . SER 24 24 ? A 0.450 0.181 12.942 1.000 1 A 88.480 1
ATOM 424 O OG . SER 24 24 ? A 0.582 0.012 14.336 1.000 1 A 88.480 1
ATOM 425 H H . SER 24 24 ? A -0.278 0.150 10.523 1.000 1 A 88.480 1
ATOM 426 H HA . SER 24 24 ? A -1.214 -1.153 12.907 1.000 1 A 88.480 1
ATOM 427 H HB2 . SER 24 24 ? A 1.148 -0.484 12.434 1.000 1 A 88.480 1
ATOM 428 H HB3 . SER 24 24 ? A 0.682 1.211 12.671 1.000 1 A 88.480 1
ATOM 429 H HG . SER 24 24 ? A 1.468 0.276 14.593 1.000 1 A 88.480 1
ATOM 430 N N . ILE 25 25 ? A -2.060 2.047 12.580 1.000 1 A 90.000 1
ATOM 431 C CA . ILE 25 25 ? A -3.041 3.058 13.000 1.000 1 A 90.000 1
ATOM 432 C C . ILE 25 25 ? A -4.464 2.547 12.787 1.000 1 A 90.000 1
ATOM 433 O O . ILE 25 25 ? A -5.263 2.591 13.719 1.000 1 A 90.000 1
ATOM 434 C CB . ILE 25 25 ? A -2.806 4.404 12.278 1.000 1 A 90.000 1
ATOM 435 C CG1 . ILE 25 25 ? A -1.492 5.020 12.799 1.000 1 A 90.000 1
ATOM 436 C CG2 . ILE 25 25 ? A -3.984 5.376 12.514 1.000 1 A 90.000 1
ATOM 437 C CD1 . ILE 25 25 ? A -1.098 6.329 12.113 1.000 1 A 90.000 1
ATOM 438 H H . ILE 25 25 ? A -1.405 2.292 11.852 1.000 1 A 90.000 1
ATOM 439 H HA . ILE 25 25 ? A -2.929 3.225 14.071 1.000 1 A 90.000 1
ATOM 440 H HB . ILE 25 25 ? A -2.718 4.224 11.206 1.000 1 A 90.000 1
ATOM 441 H HG12 . ILE 25 25 ? A -1.591 5.213 13.867 1.000 1 A 90.000 1
ATOM 442 H HG13 . ILE 25 25 ? A -0.670 4.317 12.663 1.000 1 A 90.000 1
ATOM 443 H HG21 . ILE 25 25 ? A -4.086 5.601 13.576 1.000 1 A 90.000 1
ATOM 444 H HG22 . ILE 25 25 ? A -4.921 4.962 12.144 1.000 1 A 90.000 1
ATOM 445 H HG23 . ILE 25 25 ? A -3.839 6.305 11.962 1.000 1 A 90.000 1
ATOM 446 H HD11 . ILE 25 25 ? A -0.893 6.153 11.057 1.000 1 A 90.000 1
ATOM 447 H HD12 . ILE 25 25 ? A -0.216 6.716 12.623 1.000 1 A 90.000 1
ATOM 448 H HD13 . ILE 25 25 ? A -1.872 7.089 12.219 1.000 1 A 90.000 1
ATOM 449 N N . HIS 26 26 ? A -4.774 2.007 11.605 1.000 1 A 89.650 1
ATOM 450 C CA . HIS 26 26 ? A -6.104 1.488 11.299 1.000 1 A 89.650 1
ATOM 451 C C . HIS 26 26 ? A -6.505 0.362 12.251 1.000 1 A 89.650 1
ATOM 452 O O . HIS 26 26 ? A -7.599 0.416 12.798 1.000 1 A 89.650 1
ATOM 453 C CB . HIS 26 26 ? A -6.194 1.031 9.836 1.000 1 A 89.650 1
ATOM 454 C CG . HIS 26 26 ? A -6.569 2.154 8.905 1.000 1 A 89.650 1
ATOM 455 N ND1 . HIS 26 26 ? A -7.822 2.716 8.791 1.000 1 A 89.650 1
ATOM 456 C CD2 . HIS 26 26 ? A -5.762 2.797 8.005 1.000 1 A 89.650 1
ATOM 457 C CE1 . HIS 26 26 ? A -7.765 3.678 7.855 1.000 1 A 89.650 1
ATOM 458 N NE2 . HIS 26 26 ? A -6.526 3.764 7.353 1.000 1 A 89.650 1
ATOM 459 H H . HIS 26 26 ? A -4.086 2.032 10.866 1.000 1 A 89.650 1
ATOM 460 H HA . HIS 26 26 ? A -6.827 2.290 11.450 1.000 1 A 89.650 1
ATOM 461 H HB2 . HIS 26 26 ? A -6.976 0.276 9.752 1.000 1 A 89.650 1
ATOM 462 H HB3 . HIS 26 26 ? A -5.258 0.573 9.520 1.000 1 A 89.650 1
ATOM 463 H HD1 . HIS 26 26 ? A -8.657 2.439 9.288 1.000 1 A 89.650 1
ATOM 464 H HD2 . HIS 26 26 ? A -4.721 2.587 7.809 1.000 1 A 89.650 1
ATOM 465 H HE1 . HIS 26 26 ? A -8.596 4.292 7.539 1.000 1 A 89.650 1
ATOM 466 N N . LYS 27 27 ? A -5.630 -0.616 12.525 1.000 1 A 85.900 1
ATOM 467 C CA . LYS 27 27 ? A -5.937 -1.686 13.491 1.000 1 A 85.900 1
ATOM 468 C C . LYS 27 27 ? A -6.201 -1.141 14.894 1.000 1 A 85.900 1
ATOM 469 O O . LYS 27 27 ? A -7.164 -1.554 15.534 1.000 1 A 85.900 1
ATOM 470 C CB . LYS 27 27 ? A -4.799 -2.709 13.545 1.000 1 A 85.900 1
ATOM 471 C CG . LYS 27 27 ? A -4.824 -3.675 12.356 1.000 1 A 85.900 1
ATOM 472 C CD . LYS 27 27 ? A -3.724 -4.722 12.558 1.000 1 A 85.900 1
ATOM 473 C CE . LYS 27 27 ? A -3.754 -5.781 11.455 1.000 1 A 85.900 1
ATOM 474 N NZ . LYS 27 27 ? A -2.840 -6.903 11.795 1.000 1 A 85.900 1
ATOM 475 H H . LYS 27 27 ? A -4.733 -0.605 12.062 1.000 1 A 85.900 1
ATOM 476 H HA . LYS 27 27 ? A -6.859 -2.186 13.193 1.000 1 A 85.900 1
ATOM 477 H HB2 . LYS 27 27 ? A -3.841 -2.192 13.588 1.000 1 A 85.900 1
ATOM 478 H HB3 . LYS 27 27 ? A -4.911 -3.293 14.459 1.000 1 A 85.900 1
ATOM 479 H HG2 . LYS 27 27 ? A -4.661 -3.137 11.422 1.000 1 A 85.900 1
ATOM 480 H HG3 . LYS 27 27 ? A -5.793 -4.173 12.316 1.000 1 A 85.900 1
ATOM 481 H HD2 . LYS 27 27 ? A -2.754 -4.225 12.566 1.000 1 A 85.900 1
ATOM 482 H HD3 . LYS 27 27 ? A -3.880 -5.205 13.522 1.000 1 A 85.900 1
ATOM 483 H HE2 . LYS 27 27 ? A -3.471 -5.309 10.514 1.000 1 A 85.900 1
ATOM 484 H HE3 . LYS 27 27 ? A -4.776 -6.148 11.365 1.000 1 A 85.900 1
ATOM 485 H HZ1 . LYS 27 27 ? A -1.889 -6.582 11.907 1.000 1 A 85.900 1
ATOM 486 H HZ2 . LYS 27 27 ? A -2.876 -7.644 11.110 1.000 1 A 85.900 1
ATOM 487 H HZ3 . LYS 27 27 ? A -3.120 -7.307 12.678 1.000 1 A 85.900 1
ATOM 488 N N . LYS 28 28 ? A -5.375 -0.199 15.358 1.000 1 A 86.400 1
ATOM 489 C CA . LYS 28 28 ? A -5.536 0.421 16.680 1.000 1 A 86.400 1
ATOM 490 C C . LYS 28 28 ? A -6.823 1.243 16.770 1.000 1 A 86.400 1
ATOM 491 O O . LYS 28 28 ? A -7.484 1.219 17.803 1.000 1 A 86.400 1
ATOM 492 C CB . LYS 28 28 ? A -4.285 1.258 16.987 1.000 1 A 86.400 1
ATOM 493 C CG . LYS 28 28 ? A -4.271 1.767 18.437 1.000 1 A 86.400 1
ATOM 494 C CD . LYS 28 28 ? A -2.937 2.457 18.752 1.000 1 A 86.400 1
ATOM 495 C CE . LYS 28 28 ? A -2.900 2.907 20.218 1.000 1 A 86.400 1
ATOM 496 N NZ . LYS 28 28 ? A -1.587 3.508 20.575 1.000 1 A 86.400 1
ATOM 497 H H . LYS 28 28 ? A -4.605 0.091 14.773 1.000 1 A 86.400 1
ATOM 498 H HA . LYS 28 28 ? A -5.626 -0.370 17.424 1.000 1 A 86.400 1
ATOM 499 H HB2 . LYS 28 28 ? A -3.406 0.633 16.829 1.000 1 A 86.400 1
ATOM 500 H HB3 . LYS 28 28 ? A -4.231 2.104 16.302 1.000 1 A 86.400 1
ATOM 501 H HG2 . LYS 28 28 ? A -5.086 2.475 18.587 1.000 1 A 86.400 1
ATOM 502 H HG3 . LYS 28 28 ? A -4.405 0.923 19.113 1.000 1 A 86.400 1
ATOM 503 H HD2 . LYS 28 28 ? A -2.816 3.319 18.096 1.000 1 A 86.400 1
ATOM 504 H HD3 . LYS 28 28 ? A -2.124 1.755 18.567 1.000 1 A 86.400 1
ATOM 505 H HE2 . LYS 28 28 ? A -3.703 3.626 20.381 1.000 1 A 86.400 1
ATOM 506 H HE3 . LYS 28 28 ? A -3.092 2.039 20.848 1.000 1 A 86.400 1
ATOM 507 H HZ1 . LYS 28 28 ? A -0.844 2.838 20.435 1.000 1 A 86.400 1
ATOM 508 H HZ2 . LYS 28 28 ? A -1.566 3.784 21.546 1.000 1 A 86.400 1
ATOM 509 H HZ3 . LYS 28 28 ? A -1.389 4.318 20.005 1.000 1 A 86.400 1
ATOM 510 N N . ASN 29 29 ? A -7.183 1.949 15.700 1.000 1 A 84.430 1
ATOM 511 C CA . ASN 29 29 ? A -8.385 2.773 15.667 1.000 1 A 84.430 1
ATOM 512 C C . ASN 29 29 ? A -9.659 1.931 15.520 1.000 1 A 84.430 1
ATOM 513 O O . ASN 29 29 ? A -10.644 2.231 16.178 1.000 1 A 84.430 1
ATOM 514 C CB . ASN 29 29 ? A -8.247 3.838 14.567 1.000 1 A 84.430 1
ATOM 515 C CG . ASN 29 29 ? A -8.994 5.097 14.962 1.000 1 A 84.430 1
ATOM 516 O OD1 . ASN 29 29 ? A -8.645 5.738 15.938 1.000 1 A 84.430 1
ATOM 517 N ND2 . ASN 29 29 ? A -10.021 5.485 14.244 1.000 1 A 84.430 1
ATOM 518 H H . ASN 29 29 ? A -6.568 1.964 14.899 1.000 1 A 84.430 1
ATOM 519 H HA . ASN 29 29 ? A -8.462 3.286 16.625 1.000 1 A 84.430 1
ATOM 520 H HB2 . ASN 29 29 ? A -7.203 4.129 14.451 1.000 1 A 84.430 1
ATOM 521 H HB3 . ASN 29 29 ? A -8.609 3.455 13.613 1.000 1 A 84.430 1
ATOM 522 H HD21 . ASN 29 29 ? A -10.368 4.931 13.474 1.000 1 A 84.430 1
ATOM 523 H HD22 . ASN 29 29 ? A -10.509 6.305 14.575 1.000 1 A 84.430 1
ATOM 524 N N . ILE 30 30 ? A -9.624 0.849 14.731 1.000 1 A 89.050 1
ATOM 525 C CA . ILE 30 30 ? A -10.730 -0.114 14.618 1.000 1 A 89.050 1
ATOM 526 C C . ILE 30 30 ? A -10.989 -0.779 15.971 1.000 1 A 89.050 1
ATOM 527 O O . ILE 30 30 ? A -12.131 -0.815 16.408 1.000 1 A 89.050 1
ATOM 528 C CB . ILE 30 30 ? A -10.449 -1.148 13.499 1.000 1 A 89.050 1
ATOM 529 C CG1 . ILE 30 30 ? A -10.582 -0.478 12.111 1.000 1 A 89.050 1
ATOM 530 C CG2 . ILE 30 30 ? A -11.415 -2.345 13.580 1.000 1 A 89.050 1
ATOM 531 C CD1 . ILE 30 30 ? A -9.989 -1.304 10.959 1.000 1 A 89.050 1
ATOM 532 H H . ILE 30 30 ? A -8.793 0.676 14.184 1.000 1 A 89.050 1
ATOM 533 H HA . ILE 30 30 ? A -11.641 0.426 14.360 1.000 1 A 89.050 1
ATOM 534 H HB . ILE 30 30 ? A -9.433 -1.524 13.620 1.000 1 A 89.050 1
ATOM 535 H HG12 . ILE 30 30 ? A -11.634 -0.286 11.903 1.000 1 A 89.050 1
ATOM 536 H HG13 . ILE 30 30 ? A -10.075 0.487 12.118 1.000 1 A 89.050 1
ATOM 537 H HG21 . ILE 30 30 ? A -11.248 -2.913 14.494 1.000 1 A 89.050 1
ATOM 538 H HG22 . ILE 30 30 ? A -11.267 -3.031 12.746 1.000 1 A 89.050 1
ATOM 539 H HG23 . ILE 30 30 ? A -12.444 -1.986 13.566 1.000 1 A 89.050 1
ATOM 540 H HD11 . ILE 30 30 ? A -10.538 -2.236 10.824 1.000 1 A 89.050 1
ATOM 541 H HD12 . ILE 30 30 ? A -10.059 -0.728 10.036 1.000 1 A 89.050 1
ATOM 542 H HD13 . ILE 30 30 ? A -8.940 -1.522 11.160 1.000 1 A 89.050 1
ATOM 543 N N . LEU 31 31 ? A -9.948 -1.237 16.676 1.000 1 A 88.710 1
ATOM 544 C CA . LEU 31 31 ? A -10.114 -1.831 18.006 1.000 1 A 88.710 1
ATOM 545 C C . LEU 31 31 ? A -10.720 -0.835 19.009 1.000 1 A 88.710 1
ATOM 546 O O . LEU 31 31 ? A -11.630 -1.188 19.751 1.000 1 A 88.710 1
ATOM 547 C CB . LEU 31 31 ? A -8.752 -2.358 18.488 1.000 1 A 88.710 1
ATOM 548 C CG . LEU 31 31 ? A -8.822 -3.121 19.825 1.000 1 A 88.710 1
ATOM 549 C CD1 . LEU 31 31 ? A -9.607 -4.427 19.698 1.000 1 A 88.710 1
ATOM 550 C CD2 . LEU 31 31 ? A -7.401 -3.452 20.284 1.000 1 A 88.710 1
ATOM 551 H H . LEU 31 31 ? A -9.026 -1.221 16.264 1.000 1 A 88.710 1
ATOM 552 H HA . LEU 31 31 ? A -10.811 -2.664 17.921 1.000 1 A 88.710 1
ATOM 553 H HB2 . LEU 31 31 ? A -8.073 -1.513 18.599 1.000 1 A 88.710 1
ATOM 554 H HB3 . LEU 31 31 ? A -8.342 -3.024 17.728 1.000 1 A 88.710 1
ATOM 555 H HG . LEU 31 31 ? A -9.282 -2.494 20.588 1.000 1 A 88.710 1
ATOM 556 H HD11 . LEU 31 31 ? A -10.658 -4.214 19.503 1.000 1 A 88.710 1
ATOM 557 H HD12 . LEU 31 31 ? A -9.204 -5.049 18.899 1.000 1 A 88.710 1
ATOM 558 H HD13 . LEU 31 31 ? A -9.563 -4.975 20.639 1.000 1 A 88.710 1
ATOM 559 H HD21 . LEU 31 31 ? A -7.449 -3.967 21.244 1.000 1 A 88.710 1
ATOM 560 H HD22 . LEU 31 31 ? A -6.830 -2.533 20.412 1.000 1 A 88.710 1
ATOM 561 H HD23 . LEU 31 31 ? A -6.912 -4.099 19.557 1.000 1 A 88.710 1
ATOM 562 N N . LYS 32 32 ? A -10.257 0.423 18.997 1.000 1 A 89.410 1
ATOM 563 C CA . LYS 32 32 ? A -10.858 1.490 19.812 1.000 1 A 89.410 1
ATOM 564 C C . LYS 32 32 ? A -12.312 1.771 19.438 1.000 1 A 89.410 1
ATOM 565 O O . LYS 32 32 ? A -13.100 2.049 20.329 1.000 1 A 89.410 1
ATOM 566 C CB . LYS 32 32 ? A -10.059 2.790 19.690 1.000 1 A 89.410 1
ATOM 567 C CG . LYS 32 32 ? A -8.856 2.828 20.637 1.000 1 A 89.410 1
ATOM 568 C CD . LYS 32 32 ? A -8.260 4.238 20.608 1.000 1 A 89.410 1
ATOM 569 C CE . LYS 32 32 ? A -7.176 4.392 21.675 1.000 1 A 89.410 1
ATOM 570 N NZ . LYS 32 32 ? A -6.831 5.824 21.855 1.000 1 A 89.410 1
ATOM 571 H H . LYS 32 32 ? A -9.499 0.651 18.369 1.000 1 A 89.410 1
ATOM 572 H HA . LYS 32 32 ? A -10.893 1.171 20.854 1.000 1 A 89.410 1
ATOM 573 H HB2 . LYS 32 32 ? A -9.734 2.938 18.660 1.000 1 A 89.410 1
ATOM 574 H HB3 . LYS 32 32 ? A -10.720 3.616 19.953 1.000 1 A 89.410 1
ATOM 575 H HG2 . LYS 32 32 ? A -8.110 2.095 20.330 1.000 1 A 89.410 1
ATOM 576 H HG3 . LYS 32 32 ? A -9.191 2.600 21.649 1.000 1 A 89.410 1
ATOM 577 H HD2 . LYS 32 32 ? A -7.849 4.439 19.618 1.000 1 A 89.410 1
ATOM 578 H HD3 . LYS 32 32 ? A -9.057 4.953 20.810 1.000 1 A 89.410 1
ATOM 579 H HE2 . LYS 32 32 ? A -7.563 3.987 22.610 1.000 1 A 89.410 1
ATOM 580 H HE3 . LYS 32 32 ? A -6.306 3.802 21.385 1.000 1 A 89.410 1
ATOM 581 H HZ1 . LYS 32 32 ? A -6.144 5.952 22.584 1.000 1 A 89.410 1
ATOM 582 H HZ2 . LYS 32 32 ? A -6.517 6.241 20.990 1.000 1 A 89.410 1
ATOM 583 H HZ3 . LYS 32 32 ? A -7.659 6.326 22.142 1.000 1 A 89.410 1
ATOM 584 N N . LEU 33 33 ? A -12.649 1.721 18.149 1.000 1 A 90.290 1
ATOM 585 C CA . LEU 33 33 ? A -14.014 1.926 17.675 1.000 1 A 90.290 1
ATOM 586 C C . LEU 33 33 ? A -14.938 0.808 18.171 1.000 1 A 90.290 1
ATOM 587 O O . LEU 33 33 ? A -16.014 1.106 18.669 1.000 1 A 90.290 1
ATOM 588 C CB . LEU 33 33 ? A -14.006 2.038 16.140 1.000 1 A 90.290 1
ATOM 589 C CG . LEU 33 33 ? A -15.384 2.354 15.531 1.000 1 A 90.290 1
ATOM 590 C CD1 . LEU 33 33 ? A -15.855 3.764 15.892 1.000 1 A 90.290 1
ATOM 591 C CD2 . LEU 33 33 ? A -15.298 2.248 14.007 1.000 1 A 90.290 1
ATOM 592 H H . LEU 33 33 ? A -11.930 1.534 17.465 1.000 1 A 90.290 1
ATOM 593 H HA . LEU 33 33 ? A -14.384 2.859 18.100 1.000 1 A 90.290 1
ATOM 594 H HB2 . LEU 33 33 ? A -13.305 2.817 15.843 1.000 1 A 90.290 1
ATOM 595 H HB3 . LEU 33 33 ? A -13.661 1.092 15.723 1.000 1 A 90.290 1
ATOM 596 H HG . LEU 33 33 ? A -16.118 1.627 15.876 1.000 1 A 90.290 1
ATOM 597 H HD11 . LEU 33 33 ? A -16.034 3.829 16.965 1.000 1 A 90.290 1
ATOM 598 H HD12 . LEU 33 33 ? A -16.800 3.972 15.390 1.000 1 A 90.290 1
ATOM 599 H HD13 . LEU 33 33 ? A -15.114 4.506 15.597 1.000 1 A 90.290 1
ATOM 600 H HD21 . LEU 33 33 ? A -14.997 1.239 13.728 1.000 1 A 90.290 1
ATOM 601 H HD22 . LEU 33 33 ? A -16.281 2.444 13.578 1.000 1 A 90.290 1
ATOM 602 H HD23 . LEU 33 33 ? A -14.582 2.971 13.617 1.000 1 A 90.290 1
ATOM 603 N N . PHE 34 34 ? A -14.503 -0.454 18.106 1.000 1 A 91.610 1
ATOM 604 C CA . PHE 34 34 ? A -15.262 -1.577 18.665 1.000 1 A 91.610 1
ATOM 605 C C . PHE 34 34 ? A -15.480 -1.427 20.177 1.000 1 A 91.610 1
ATOM 606 O O . PHE 34 34 ? A -16.613 -1.543 20.619 1.000 1 A 91.610 1
ATOM 607 C CB . PHE 34 34 ? A -14.582 -2.908 18.308 1.000 1 A 91.610 1
ATOM 608 C CG . PHE 34 34 ? A -15.003 -3.455 16.956 1.000 1 A 91.610 1
ATOM 609 C CD1 . PHE 34 34 ? A -16.262 -4.069 16.824 1.000 1 A 91.610 1
ATOM 610 C CD2 . PHE 34 34 ? A -14.158 -3.364 15.834 1.000 1 A 91.610 1
ATOM 611 C CE1 . PHE 34 34 ? A -16.675 -4.580 15.582 1.000 1 A 91.610 1
ATOM 612 C CE2 . PHE 34 34 ? A -14.575 -3.864 14.586 1.000 1 A 91.610 1
ATOM 613 C CZ . PHE 34 34 ? A -15.836 -4.472 14.460 1.000 1 A 91.610 1
ATOM 614 H H . PHE 34 34 ? A -13.613 -0.644 17.668 1.000 1 A 91.610 1
ATOM 615 H HA . PHE 34 34 ? A -16.259 -1.579 18.225 1.000 1 A 91.610 1
ATOM 616 H HB2 . PHE 34 34 ? A -14.858 -3.649 19.058 1.000 1 A 91.610 1
ATOM 617 H HB3 . PHE 34 34 ? A -13.498 -2.798 18.351 1.000 1 A 91.610 1
ATOM 618 H HD1 . PHE 34 34 ? A -16.913 -4.149 17.682 1.000 1 A 91.610 1
ATOM 619 H HD2 . PHE 34 34 ? A -13.179 -2.921 15.939 1.000 1 A 91.610 1
ATOM 620 H HE1 . PHE 34 34 ? A -17.643 -5.052 15.495 1.000 1 A 91.610 1
ATOM 621 H HE2 . PHE 34 34 ? A -13.928 -3.795 13.724 1.000 1 A 91.610 1
ATOM 622 H HZ . PHE 34 34 ? A -16.161 -4.862 13.507 1.000 1 A 91.610 1
ATOM 623 N N . ASN 35 35 ? A -14.450 -1.049 20.942 1.000 1 A 85.370 1
ATOM 624 C CA . ASN 35 35 ? A -14.559 -0.818 22.393 1.000 1 A 85.370 1
ATOM 625 C C . ASN 35 35 ? A -15.357 0.446 22.777 1.000 1 A 85.370 1
ATOM 626 O O . ASN 35 35 ? A -15.527 0.728 23.957 1.000 1 A 85.370 1
ATOM 627 C CB . ASN 35 35 ? A -13.127 -0.753 22.953 1.000 1 A 85.370 1
ATOM 628 C CG . ASN 35 35 ? A -13.057 -0.929 24.461 1.000 1 A 85.370 1
ATOM 629 O OD1 . ASN 35 35 ? A -12.855 -2.008 24.971 1.000 1 A 85.370 1
ATOM 630 N ND2 . ASN 35 35 ? A -13.138 0.111 25.245 1.000 1 A 85.370 1
ATOM 631 H H . ASN 35 35 ? A -13.535 -0.990 20.519 1.000 1 A 85.370 1
ATOM 632 H HA . ASN 35 35 ? A -15.081 -1.665 22.838 1.000 1 A 85.370 1
ATOM 633 H HB2 . ASN 35 35 ? A -12.541 -1.562 22.518 1.000 1 A 85.370 1
ATOM 634 H HB3 . ASN 35 35 ? A -12.671 0.199 22.679 1.000 1 A 85.370 1
ATOM 635 H HD21 . ASN 35 35 ? A -13.796 0.799 24.907 1.000 1 A 85.370 1
ATOM 636 H HD22 . ASN 35 35 ? A -13.232 -0.173 26.210 1.000 1 A 85.370 1
ATOM 637 N N . PHE 36 36 ? A -15.729 1.287 21.813 1.000 1 A 90.600 1
ATOM 638 C CA . PHE 36 36 ? A -16.631 2.416 22.048 1.000 1 A 90.600 1
ATOM 639 C C . PHE 36 36 ? A -18.084 2.065 21.699 1.000 1 A 90.600 1
ATOM 640 O O . PHE 36 36 ? A -19.000 2.718 22.187 1.000 1 A 90.600 1
ATOM 641 C CB . PHE 36 36 ? A -16.125 3.621 21.241 1.000 1 A 90.600 1
ATOM 642 C CG . PHE 36 36 ? A -16.973 4.867 21.412 1.000 1 A 90.600 1
ATOM 643 C CD1 . PHE 36 36 ? A -17.974 5.175 20.471 1.000 1 A 90.600 1
ATOM 644 C CD2 . PHE 36 36 ? A -16.812 5.677 22.551 1.000 1 A 90.600 1
ATOM 645 C CE1 . PHE 36 36 ? A -18.811 6.288 20.670 1.000 1 A 90.600 1
ATOM 646 C CE2 . PHE 36 36 ? A -17.644 6.794 22.747 1.000 1 A 90.600 1
ATOM 647 C CZ . PHE 36 36 ? A -18.645 7.098 21.806 1.000 1 A 90.600 1
ATOM 648 H H . PHE 36 36 ? A -15.518 1.045 20.855 1.000 1 A 90.600 1
ATOM 649 H HA . PHE 36 36 ? A -16.631 2.683 23.104 1.000 1 A 90.600 1
ATOM 650 H HB2 . PHE 36 36 ? A -15.105 3.848 21.552 1.000 1 A 90.600 1
ATOM 651 H HB3 . PHE 36 36 ? A -16.096 3.356 20.184 1.000 1 A 90.600 1
ATOM 652 H HD1 . PHE 36 36 ? A -18.136 4.525 19.625 1.000 1 A 90.600 1
ATOM 653 H HD2 . PHE 36 36 ? A -16.078 5.414 23.298 1.000 1 A 90.600 1
ATOM 654 H HE1 . PHE 36 36 ? A -19.606 6.495 19.968 1.000 1 A 90.600 1
ATOM 655 H HE2 . PHE 36 36 ? A -17.542 7.393 23.639 1.000 1 A 90.600 1
ATOM 656 H HZ . PHE 36 36 ? A -19.308 7.933 21.974 1.000 1 A 90.600 1
ATOM 657 N N . ILE 37 37 ? A -18.289 1.083 20.815 1.000 1 A 93.800 1
ATOM 658 C CA . ILE 37 37 ? A -19.617 0.604 20.418 1.000 1 A 93.800 1
ATOM 659 C C . ILE 37 37 ? A -20.143 -0.444 21.410 1.000 1 A 93.800 1
ATOM 660 O O . ILE 37 37 ? A -21.348 -0.467 21.650 1.000 1 A 93.800 1
ATOM 661 C CB . ILE 37 37 ? A -19.571 0.068 18.967 1.000 1 A 93.800 1
ATOM 662 C CG1 . ILE 37 37 ? A -19.295 1.220 17.969 1.000 1 A 93.800 1
ATOM 663 C CG2 . ILE 37 37 ? A -20.883 -0.644 18.580 1.000 1 A 93.800 1
ATOM 664 C CD1 . ILE 37 37 ? A -18.930 0.745 16.555 1.000 1 A 93.800 1
ATOM 665 H H . ILE 37 37 ? A -17.490 0.549 20.502 1.000 1 A 93.800 1
ATOM 666 H HA . ILE 37 37 ? A -20.322 1.435 20.454 1.000 1 A 93.800 1
ATOM 667 H HB . ILE 37 37 ? A -18.761 -0.658 18.897 1.000 1 A 93.800 1
ATOM 668 H HG12 . ILE 37 37 ? A -20.173 1.864 17.913 1.000 1 A 93.800 1
ATOM 669 H HG13 . ILE 37 37 ? A -18.467 1.830 18.330 1.000 1 A 93.800 1
ATOM 670 H HG21 . ILE 37 37 ? A -21.034 -1.519 19.212 1.000 1 A 93.800 1
ATOM 671 H HG22 . ILE 37 37 ? A -21.728 0.031 18.718 1.000 1 A 93.800 1
ATOM 672 H HG23 . ILE 37 37 ? A -20.855 -0.995 17.549 1.000 1 A 93.800 1
ATOM 673 H HD11 . ILE 37 37 ? A -19.780 0.258 16.076 1.000 1 A 93.800 1
ATOM 674 H HD12 . ILE 37 37 ? A -18.090 0.052 16.603 1.000 1 A 93.800 1
ATOM 675 H HD13 . ILE 37 37 ? A -18.644 1.607 15.953 1.000 1 A 93.800 1
ATOM 676 N N . GLU 38 38 ? A -19.263 -1.304 21.934 1.000 1 A 83.790 1
ATOM 677 C CA . GLU 38 38 ? A -19.543 -2.209 23.064 1.000 1 A 83.790 1
ATOM 678 C C . GLU 38 38 ? A -19.650 -1.434 24.383 1.000 1 A 83.790 1
ATOM 679 O O . GLU 38 38 ? A -20.647 -1.662 25.104 1.000 1 A 83.790 1
ATOM 680 C CB . GLU 38 38 ? A -18.453 -3.300 23.119 1.000 1 A 83.790 1
ATOM 681 C CG . GLU 38 38 ? A -18.724 -4.392 24.174 1.000 1 A 83.790 1
ATOM 682 C CD . GLU 38 38 ? A -17.680 -5.534 24.190 1.000 1 A 83.790 1
ATOM 683 O OE1 . GLU 38 38 ? A -17.918 -6.528 24.919 1.000 1 A 83.790 1
ATOM 684 O OE2 . GLU 38 38 ? A -16.653 -5.455 23.468 1.000 1 A 83.790 1
ATOM 685 O OXT . GLU 38 38 ? A -18.730 -0.621 24.630 1.000 1 A 83.790 1
ATOM 686 H H . GLU 38 38 ? A -18.288 -1.205 21.689 1.000 1 A 83.790 1
ATOM 687 H HA . GLU 38 38 ? A -20.514 -2.684 22.922 1.000 1 A 83.790 1
ATOM 688 H HB2 . GLU 38 38 ? A -18.396 -3.776 22.140 1.000 1 A 83.790 1
ATOM 689 H HB3 . GLU 38 38 ? A -17.490 -2.832 23.325 1.000 1 A 83.790 1
ATOM 690 H HG2 . GLU 38 38 ? A -19.708 -4.818 23.977 1.000 1 A 83.790 1
ATOM 691 H HG3 . GLU 38 38 ? A -18.746 -3.933 25.162 1.000 1 A 83.790 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 91.097

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 72.110
2 1 A 2 PHE 2 87.800
3 1 A 3 ILE 2 92.480
4 1 A 4 ILE 2 93.920
5 1 A 5 HIS 2 92.780
6 1 A 6 THR 2 95.620
7 1 A 7 ASN 2 93.140
8 1 A 8 ILE 2 96.490
9 1 A 9 MET 2 94.930
10 1 A 10 ASN 2 93.270
11 1 A 11 PHE 2 97.380
12 1 A 12 PHE 2 96.670
13 1 A 13 CYS 2 97.760
14 1 A 14 ASN 2 90.160
15 1 A 15 ILE 2 96.230
16 1 A 16 LYS 2 93.820
17 1 A 17 LEU 2 94.440
18 1 A 18 PHE 2 95.530
19 1 A 19 LEU 2 91.890
20 1 A 20 TYR 2 95.000
21 1 A 21 HIS 2 90.650
22 1 A 22 PHE 2 92.950
23 1 A 23 ARG 2 89.170
24 1 A 24 SER 2 88.480
25 1 A 25 ILE 2 90.000
26 1 A 26 HIS 2 89.650
27 1 A 27 LYS 2 85.900
28 1 A 28 LYS 2 86.400
29 1 A 29 ASN 2 84.430
30 1 A 30 ILE 2 89.050
31 1 A 31 LEU 2 88.710
32 1 A 32 LYS 2 89.410
33 1 A 33 LEU 2 90.290
34 1 A 34 PHE 2 91.610
35 1 A 35 ASN 2 85.370
36 1 A 36 PHE 2 90.600
37 1 A 37 ILE 2 93.800
38 1 A 38 GLU 2 83.790

_database_2.database_id ModelArchive
_database_2.database_code ma-asfv-asfvg-018
_database_2.pdbx_DOI 10.5452/ma-asfv-asfvg-018

_pdbx_database_status.entry_id ma-asfv-asfvg-018
_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'