data_ma-asfv-asfvg-023
_entry.id ma-asfv-asfvg-023
_entry.ma_collection_id ma-asfv-asfvg

_struct.entry_id ma-asfv-asfvg-023
_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 00520'

_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'
ASP 'L-peptide linking' 'ASPARTIC ACID' 'C4 H7 N O4' 133.103 'CCD Core'
GLU 'L-peptide linking' 'GLUTAMIC ACID' 'C5 H9 N O4' 147.130 'CCD Core'
GLY 'peptide linking' GLYCINE 'C2 H5 N O2' 75.067 'CCD Core'
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'
PRO 'L-peptide linking' PROLINE 'C5 H9 N O2' 115.132 'CCD Core'
SER 'L-peptide linking' SERINE 'C3 H7 N O3' 105.093 'CCD Core'
THR 'L-peptide linking' THREONINE 'C4 H9 N O3' 119.120 'CCD Core'
TRP 'L-peptide linking' TRYPTOPHAN 'C11 H12 N2 O2' 204.229 'CCD Core'
TYR 'L-peptide linking' TYROSINE 'C9 H11 N O3' 181.191 'CCD Core'
VAL 'L-peptide linking' VALINE 'C5 H11 N O2' 117.148 'CCD Core'

loop_
_entity.id
_entity.type
_entity.src_method
_entity.pdbx_description
_entity.formula_weight
_entity.pdbx_number_of_molecules
_entity.details
1 polymer nat 'ASFV-G ASFV G ACD 00520 protein' 5553.469 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 . A0A2X0RUT2_ASF A0A2X0RUT2 . 1 40 10497 'African swine fever virus (ASFV)' 2018-09-12 9A7F46F5F4707441
1 NCBI . CAD2068386.1 1886136911 . 1 40 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 MFPTDVLKRKHLFTKKNINFTGILMYDKTVVHWFEISKTI MFPTDVLKRKHLFTKKNINFTGILMYDKTVVHWFEISKTI

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 PRO .
1 4 THR .
1 5 ASP .
1 6 VAL .
1 7 LEU .
1 8 LYS .
1 9 ARG .
1 10 LYS .
1 11 HIS .
1 12 LEU .
1 13 PHE .
1 14 THR .
1 15 LYS .
1 16 LYS .
1 17 ASN .
1 18 ILE .
1 19 ASN .
1 20 PHE .
1 21 THR .
1 22 GLY .
1 23 ILE .
1 24 LEU .
1 25 MET .
1 26 TYR .
1 27 ASP .
1 28 LYS .
1 29 THR .
1 30 VAL .
1 31 VAL .
1 32 HIS .
1 33 TRP .
1 34 PHE .
1 35 GLU .
1 36 ILE .
1 37 SER .
1 38 LYS .
1 39 THR .
1 40 ILE .

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 PRO 3 3 PRO PRO A .
A 1 4 THR 4 4 THR THR A .
A 1 5 ASP 5 5 ASP ASP A .
A 1 6 VAL 6 6 VAL VAL A .
A 1 7 LEU 7 7 LEU LEU A .
A 1 8 LYS 8 8 LYS LYS A .
A 1 9 ARG 9 9 ARG ARG A .
A 1 10 LYS 10 10 LYS LYS A .
A 1 11 HIS 11 11 HIS HIS A .
A 1 12 LEU 12 12 LEU LEU A .
A 1 13 PHE 13 13 PHE PHE A .
A 1 14 THR 14 14 THR THR A .
A 1 15 LYS 15 15 LYS LYS A .
A 1 16 LYS 16 16 LYS LYS A .
A 1 17 ASN 17 17 ASN ASN A .
A 1 18 ILE 18 18 ILE ILE A .
A 1 19 ASN 19 19 ASN ASN A .
A 1 20 PHE 20 20 PHE PHE A .
A 1 21 THR 21 21 THR THR A .
A 1 22 GLY 22 22 GLY GLY A .
A 1 23 ILE 23 23 ILE ILE A .
A 1 24 LEU 24 24 LEU LEU A .
A 1 25 MET 25 25 MET MET A .
A 1 26 TYR 26 26 TYR TYR A .
A 1 27 ASP 27 27 ASP ASP A .
A 1 28 LYS 28 28 LYS LYS A .
A 1 29 THR 29 29 THR THR A .
A 1 30 VAL 30 30 VAL VAL A .
A 1 31 VAL 31 31 VAL VAL A .
A 1 32 HIS 32 32 HIS HIS A .
A 1 33 TRP 33 33 TRP TRP A .
A 1 34 PHE 34 34 PHE PHE A .
A 1 35 GLU 35 35 GLU GLU A .
A 1 36 ILE 36 36 ILE ILE A .
A 1 37 SER 37 37 SER SER A .
A 1 38 LYS 38 38 LYS LYS A .
A 1 39 THR 39 39 THR THR A .
A 1 40 ILE 40 40 ILE ILE A .

loop_
_ma_data.id
_ma_data.name
_ma_data.content_type
_ma_data.content_type_other_details
1 'ASFV-G ASFV G ACD 00520 protein' target .
2 'Model 2 (top ranked model)' 'model coordinates' .
3 BFD 'reference database' .
4 MGnify 'reference database' .
5 Uniclust30 'reference database' .
8 UniRef90 'reference database' .
9 PDB70 'reference database' .

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

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

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

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

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

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

loop_
_atom_site.group_PDB
_atom_site.id
_atom_site.type_symbol
_atom_site.label_atom_id
_atom_site.label_alt_id
_atom_site.label_comp_id
_atom_site.label_seq_id
_atom_site.auth_seq_id
_atom_site.pdbx_PDB_ins_code
_atom_site.label_asym_id
_atom_site.Cartn_x
_atom_site.Cartn_y
_atom_site.Cartn_z
_atom_site.occupancy
_atom_site.label_entity_id
_atom_site.auth_asym_id
_atom_site.B_iso_or_equiv
_atom_site.pdbx_PDB_model_num
ATOM 1 N N . MET 1 1 ? A 20.775 9.332 -26.889 1.000 1 A 52.980 1
ATOM 2 C CA . MET 1 1 ? A 21.236 8.704 -25.631 1.000 1 A 52.980 1
ATOM 3 C C . MET 1 1 ? A 20.027 8.587 -24.703 1.000 1 A 52.980 1
ATOM 4 O O . MET 1 1 ? A 19.614 9.589 -24.150 1.000 1 A 52.980 1
ATOM 5 C CB . MET 1 1 ? A 22.394 9.548 -25.061 1.000 1 A 52.980 1
ATOM 6 C CG . MET 1 1 ? A 23.133 8.961 -23.855 1.000 1 A 52.980 1
ATOM 7 S SD . MET 1 1 ? A 24.746 9.765 -23.640 1.000 1 A 52.980 1
ATOM 8 C CE . MET 1 1 ? A 25.252 9.177 -22.003 1.000 1 A 52.980 1
ATOM 9 H H . MET 1 1 ? A 21.543 9.432 -27.537 1.000 1 A 52.980 1
ATOM 10 H H2 . MET 1 1 ? A 20.041 8.786 -27.318 1.000 1 A 52.980 1
ATOM 11 H HA . MET 1 1 ? A 21.614 7.703 -25.841 1.000 1 A 52.980 1
ATOM 12 H HB2 . MET 1 1 ? A 23.128 9.664 -25.859 1.000 1 A 52.980 1
ATOM 13 H HB3 . MET 1 1 ? A 22.036 10.544 -24.803 1.000 1 A 52.980 1
ATOM 14 H HG2 . MET 1 1 ? A 22.530 9.106 -22.958 1.000 1 A 52.980 1
ATOM 15 H HG3 . MET 1 1 ? A 23.296 7.894 -24.007 1.000 1 A 52.980 1
ATOM 16 H HE1 . MET 1 1 ? A 26.225 9.601 -21.753 1.000 1 A 52.980 1
ATOM 17 H HE2 . MET 1 1 ? A 25.328 8.090 -22.008 1.000 1 A 52.980 1
ATOM 18 H HE3 . MET 1 1 ? A 24.523 9.491 -21.255 1.000 1 A 52.980 1
ATOM 19 H H3 . MET 1 1 ? A 20.406 10.249 -26.683 1.000 1 A 52.980 1
ATOM 20 N N . PHE 2 2 ? A 19.391 7.409 -24.639 1.000 1 A 64.290 1
ATOM 21 C CA . PHE 2 2 ? A 18.070 7.167 -24.014 1.000 1 A 64.290 1
ATOM 22 C C . PHE 2 2 ? A 18.014 6.483 -22.611 1.000 1 A 64.290 1
ATOM 23 O O . PHE 2 2 ? A 16.903 6.216 -22.151 1.000 1 A 64.290 1
ATOM 24 C CB . PHE 2 2 ? A 17.204 6.404 -25.044 1.000 1 A 64.290 1
ATOM 25 C CG . PHE 2 2 ? A 16.416 7.300 -25.979 1.000 1 A 64.290 1
ATOM 26 C CD1 . PHE 2 2 ? A 15.150 7.771 -25.578 1.000 1 A 64.290 1
ATOM 27 C CD2 . PHE 2 2 ? A 16.922 7.653 -27.245 1.000 1 A 64.290 1
ATOM 28 C CE1 . PHE 2 2 ? A 14.398 8.593 -26.434 1.000 1 A 64.290 1
ATOM 29 C CE2 . PHE 2 2 ? A 16.173 8.486 -28.096 1.000 1 A 64.290 1
ATOM 30 C CZ . PHE 2 2 ? A 14.911 8.955 -27.691 1.000 1 A 64.290 1
ATOM 31 H H . PHE 2 2 ? A 19.794 6.611 -25.110 1.000 1 A 64.290 1
ATOM 32 H HA . PHE 2 2 ? A 17.590 8.133 -23.855 1.000 1 A 64.290 1
ATOM 33 H HB2 . PHE 2 2 ? A 16.481 5.770 -24.531 1.000 1 A 64.290 1
ATOM 34 H HB3 . PHE 2 2 ? A 17.829 5.726 -25.627 1.000 1 A 64.290 1
ATOM 35 H HD1 . PHE 2 2 ? A 14.756 7.503 -24.609 1.000 1 A 64.290 1
ATOM 36 H HD2 . PHE 2 2 ? A 17.869 7.258 -27.581 1.000 1 A 64.290 1
ATOM 37 H HE1 . PHE 2 2 ? A 13.428 8.957 -26.127 1.000 1 A 64.290 1
ATOM 38 H HE2 . PHE 2 2 ? A 16.546 8.746 -29.076 1.000 1 A 64.290 1
ATOM 39 H HZ . PHE 2 2 ? A 14.332 9.585 -28.350 1.000 1 A 64.290 1
ATOM 40 N N . PRO 3 3 ? A 19.110 6.175 -21.878 1.000 1 A 67.390 1
ATOM 41 C CA . PRO 3 3 ? A 18.994 5.393 -20.636 1.000 1 A 67.390 1
ATOM 42 C C . PRO 3 3 ? A 18.538 6.207 -19.408 1.000 1 A 67.390 1
ATOM 43 O O . PRO 3 3 ? A 17.861 5.677 -18.527 1.000 1 A 67.390 1
ATOM 44 C CB . PRO 3 3 ? A 20.375 4.761 -20.437 1.000 1 A 67.390 1
ATOM 45 C CG . PRO 3 3 ? A 21.331 5.753 -21.090 1.000 1 A 67.390 1
ATOM 46 C CD . PRO 3 3 ? A 20.512 6.341 -22.232 1.000 1 A 67.390 1
ATOM 47 H HA . PRO 3 3 ? A 18.273 4.588 -20.774 1.000 1 A 67.390 1
ATOM 48 H HB2 . PRO 3 3 ? A 20.417 3.813 -20.974 1.000 1 A 67.390 1
ATOM 49 H HB3 . PRO 3 3 ? A 20.610 4.604 -19.384 1.000 1 A 67.390 1
ATOM 50 H HG2 . PRO 3 3 ? A 22.236 5.265 -21.451 1.000 1 A 67.390 1
ATOM 51 H HG3 . PRO 3 3 ? A 21.582 6.540 -20.379 1.000 1 A 67.390 1
ATOM 52 H HD2 . PRO 3 3 ? A 20.765 7.394 -22.354 1.000 1 A 67.390 1
ATOM 53 H HD3 . PRO 3 3 ? A 20.729 5.778 -23.139 1.000 1 A 67.390 1
ATOM 54 N N . THR 4 4 ? A 18.861 7.500 -19.334 1.000 1 A 69.730 1
ATOM 55 C CA . THR 4 4 ? A 18.574 8.347 -18.161 1.000 1 A 69.730 1
ATOM 56 C C . THR 4 4 ? A 17.094 8.706 -18.019 1.000 1 A 69.730 1
ATOM 57 O O . THR 4 4 ? A 16.579 8.731 -16.900 1.000 1 A 69.730 1
ATOM 58 C CB . THR 4 4 ? A 19.426 9.628 -18.194 1.000 1 A 69.730 1
ATOM 59 O OG1 . THR 4 4 ? A 19.598 10.060 -19.526 1.000 1 A 69.730 1
ATOM 60 C CG2 . THR 4 4 ? A 20.818 9.378 -17.617 1.000 1 A 69.730 1
ATOM 61 H H . THR 4 4 ? A 19.371 7.934 -20.090 1.000 1 A 69.730 1
ATOM 62 H HA . THR 4 4 ? A 18.836 7.791 -17.260 1.000 1 A 69.730 1
ATOM 63 H HB . THR 4 4 ? A 18.940 10.410 -17.611 1.000 1 A 69.730 1
ATOM 64 H HG1 . THR 4 4 ? A 19.942 10.956 -19.524 1.000 1 A 69.730 1
ATOM 65 H HG21 . THR 4 4 ? A 21.327 8.603 -18.190 1.000 1 A 69.730 1
ATOM 66 H HG22 . THR 4 4 ? A 21.405 10.296 -17.658 1.000 1 A 69.730 1
ATOM 67 H HG23 . THR 4 4 ? A 20.737 9.060 -16.578 1.000 1 A 69.730 1
ATOM 68 N N . ASP 5 5 ? A 16.377 8.919 -19.124 1.000 1 A 75.180 1
ATOM 69 C CA . ASP 5 5 ? A 14.940 9.229 -19.091 1.000 1 A 75.180 1
ATOM 70 C C . ASP 5 5 ? A 14.080 8.043 -18.650 1.000 1 A 75.180 1
ATOM 71 O O . ASP 5 5 ? A 13.064 8.223 -17.972 1.000 1 A 75.180 1
ATOM 72 C CB . ASP 5 5 ? A 14.480 9.716 -20.469 1.000 1 A 75.180 1
ATOM 73 C CG . ASP 5 5 ? A 14.969 11.137 -20.722 1.000 1 A 75.180 1
ATOM 74 O OD1 . ASP 5 5 ? A 14.664 11.993 -19.861 1.000 1 A 75.180 1
ATOM 75 O OD2 . ASP 5 5 ? A 15.664 11.319 -21.739 1.000 1 A 75.180 1
ATOM 76 H H . ASP 5 5 ? A 16.857 8.976 -20.011 1.000 1 A 75.180 1
ATOM 77 H HA . ASP 5 5 ? A 14.767 10.029 -18.371 1.000 1 A 75.180 1
ATOM 78 H HB2 . ASP 5 5 ? A 14.840 9.037 -21.241 1.000 1 A 75.180 1
ATOM 79 H HB3 . ASP 5 5 ? A 13.390 9.720 -20.503 1.000 1 A 75.180 1
ATOM 80 N N . VAL 6 6 ? A 14.488 6.818 -18.996 1.000 1 A 77.460 1
ATOM 81 C CA . VAL 6 6 ? A 13.793 5.593 -18.572 1.000 1 A 77.460 1
ATOM 82 C C . VAL 6 6 ? A 13.953 5.387 -17.067 1.000 1 A 77.460 1
ATOM 83 O O . VAL 6 6 ? A 12.968 5.123 -16.374 1.000 1 A 77.460 1
ATOM 84 C CB . VAL 6 6 ? A 14.293 4.368 -19.363 1.000 1 A 77.460 1
ATOM 85 C CG1 . VAL 6 6 ? A 13.596 3.079 -18.908 1.000 1 A 77.460 1
ATOM 86 C CG2 . VAL 6 6 ? A 14.021 4.541 -20.863 1.000 1 A 77.460 1
ATOM 87 H H . VAL 6 6 ? A 15.327 6.734 -19.551 1.000 1 A 77.460 1
ATOM 88 H HA . VAL 6 6 ? A 12.727 5.708 -18.770 1.000 1 A 77.460 1
ATOM 89 H HB . VAL 6 6 ? A 15.367 4.255 -19.212 1.000 1 A 77.460 1
ATOM 90 H HG11 . VAL 6 6 ? A 13.855 2.849 -17.874 1.000 1 A 77.460 1
ATOM 91 H HG12 . VAL 6 6 ? A 12.514 3.183 -18.997 1.000 1 A 77.460 1
ATOM 92 H HG13 . VAL 6 6 ? A 13.925 2.246 -19.529 1.000 1 A 77.460 1
ATOM 93 H HG21 . VAL 6 6 ? A 12.952 4.652 -21.045 1.000 1 A 77.460 1
ATOM 94 H HG22 . VAL 6 6 ? A 14.545 5.415 -21.249 1.000 1 A 77.460 1
ATOM 95 H HG23 . VAL 6 6 ? A 14.386 3.669 -21.406 1.000 1 A 77.460 1
ATOM 96 N N . LEU 7 7 ? A 15.166 5.579 -16.538 1.000 1 A 79.880 1
ATOM 97 C CA . LEU 7 7 ? A 15.429 5.484 -15.100 1.000 1 A 79.880 1
ATOM 98 C C . LEU 7 7 ? A 14.657 6.546 -14.307 1.000 1 A 79.880 1
ATOM 99 O O . LEU 7 7 ? A 14.033 6.212 -13.299 1.000 1 A 79.880 1
ATOM 100 C CB . LEU 7 7 ? A 16.942 5.589 -14.844 1.000 1 A 79.880 1
ATOM 101 C CG . LEU 7 7 ? A 17.751 4.363 -15.308 1.000 1 A 79.880 1
ATOM 102 C CD1 . LEU 7 7 ? A 19.242 4.653 -15.148 1.000 1 A 79.880 1
ATOM 103 C CD2 . LEU 7 7 ? A 17.414 3.108 -14.498 1.000 1 A 79.880 1
ATOM 104 H H . LEU 7 7 ? A 15.936 5.787 -17.158 1.000 1 A 79.880 1
ATOM 105 H HA . LEU 7 7 ? A 15.071 4.520 -14.740 1.000 1 A 79.880 1
ATOM 106 H HB2 . LEU 7 7 ? A 17.109 5.722 -13.775 1.000 1 A 79.880 1
ATOM 107 H HB3 . LEU 7 7 ? A 17.321 6.477 -15.350 1.000 1 A 79.880 1
ATOM 108 H HG . LEU 7 7 ? A 17.547 4.162 -16.360 1.000 1 A 79.880 1
ATOM 109 H HD11 . LEU 7 7 ? A 19.483 4.847 -14.103 1.000 1 A 79.880 1
ATOM 110 H HD12 . LEU 7 7 ? A 19.515 5.519 -15.751 1.000 1 A 79.880 1
ATOM 111 H HD13 . LEU 7 7 ? A 19.823 3.799 -15.495 1.000 1 A 79.880 1
ATOM 112 H HD21 . LEU 7 7 ? A 16.387 2.796 -14.687 1.000 1 A 79.880 1
ATOM 113 H HD22 . LEU 7 7 ? A 18.075 2.295 -14.799 1.000 1 A 79.880 1
ATOM 114 H HD23 . LEU 7 7 ? A 17.555 3.300 -13.434 1.000 1 A 79.880 1
ATOM 115 N N . LYS 8 8 ? A 14.619 7.797 -14.790 1.000 1 A 80.060 1
ATOM 116 C CA . LYS 8 8 ? A 13.831 8.872 -14.162 1.000 1 A 80.060 1
ATOM 117 C C . LYS 8 8 ? A 12.340 8.547 -14.129 1.000 1 A 80.060 1
ATOM 118 O O . LYS 8 8 ? A 11.714 8.690 -13.080 1.000 1 A 80.060 1
ATOM 119 C CB . LYS 8 8 ? A 14.062 10.206 -14.886 1.000 1 A 80.060 1
ATOM 120 C CG . LYS 8 8 ? A 15.389 10.866 -14.485 1.000 1 A 80.060 1
ATOM 121 C CD . LYS 8 8 ? A 15.546 12.199 -15.230 1.000 1 A 80.060 1
ATOM 122 C CE . LYS 8 8 ? A 16.852 12.900 -14.845 1.000 1 A 80.060 1
ATOM 123 N NZ . LYS 8 8 ? A 17.007 14.184 -15.577 1.000 1 A 80.060 1
ATOM 124 H H . LYS 8 8 ? A 15.176 8.011 -15.605 1.000 1 A 80.060 1
ATOM 125 H HA . LYS 8 8 ? A 14.138 8.976 -13.121 1.000 1 A 80.060 1
ATOM 126 H HB2 . LYS 8 8 ? A 13.256 10.890 -14.621 1.000 1 A 80.060 1
ATOM 127 H HB3 . LYS 8 8 ? A 14.034 10.049 -15.964 1.000 1 A 80.060 1
ATOM 128 H HG2 . LYS 8 8 ? A 16.222 10.208 -14.731 1.000 1 A 80.060 1
ATOM 129 H HG3 . LYS 8 8 ? A 15.390 11.051 -13.411 1.000 1 A 80.060 1
ATOM 130 H HD2 . LYS 8 8 ? A 14.702 12.845 -14.988 1.000 1 A 80.060 1
ATOM 131 H HD3 . LYS 8 8 ? A 15.542 12.005 -16.302 1.000 1 A 80.060 1
ATOM 132 H HE2 . LYS 8 8 ? A 16.855 13.077 -13.769 1.000 1 A 80.060 1
ATOM 133 H HE3 . LYS 8 8 ? A 17.683 12.235 -15.079 1.000 1 A 80.060 1
ATOM 134 H HZ1 . LYS 8 8 ? A 16.977 14.028 -16.575 1.000 1 A 80.060 1
ATOM 135 H HZ2 . LYS 8 8 ? A 16.259 14.823 -15.349 1.000 1 A 80.060 1
ATOM 136 H HZ3 . LYS 8 8 ? A 17.884 14.630 -15.352 1.000 1 A 80.060 1
ATOM 137 N N . ARG 9 9 ? A 11.773 8.064 -15.242 1.000 1 A 79.210 1
ATOM 138 C CA . ARG 9 9 ? A 10.364 7.643 -15.294 1.000 1 A 79.210 1
ATOM 139 C C . ARG 9 9 ? A 10.084 6.498 -14.329 1.000 1 A 79.210 1
ATOM 140 O O . ARG 9 9 ? A 9.144 6.597 -13.547 1.000 1 A 79.210 1
ATOM 141 C CB . ARG 9 9 ? A 9.947 7.286 -16.729 1.000 1 A 79.210 1
ATOM 142 C CG . ARG 9 9 ? A 9.607 8.555 -17.521 1.000 1 A 79.210 1
ATOM 143 C CD . ARG 9 9 ? A 9.001 8.233 -18.894 1.000 1 A 79.210 1
ATOM 144 N NE . ARG 9 9 ? A 9.980 8.352 -19.989 1.000 1 A 79.210 1
ATOM 145 C CZ . ARG 9 9 ? A 9.694 8.293 -21.282 1.000 1 A 79.210 1
ATOM 146 N NH1 . ARG 9 9 ? A 8.507 7.964 -21.716 1.000 1 A 79.210 1
ATOM 147 N NH2 . ARG 9 9 ? A 10.601 8.576 -22.172 1.000 1 A 79.210 1
ATOM 148 H H . ARG 9 9 ? A 12.343 7.993 -16.073 1.000 1 A 79.210 1
ATOM 149 H HA . ARG 9 9 ? A 9.737 8.463 -14.942 1.000 1 A 79.210 1
ATOM 150 H HB2 . ARG 9 9 ? A 9.053 6.663 -16.687 1.000 1 A 79.210 1
ATOM 151 H HB3 . ARG 9 9 ? A 10.736 6.724 -17.230 1.000 1 A 79.210 1
ATOM 152 H HG2 . ARG 9 9 ? A 10.491 9.184 -17.630 1.000 1 A 79.210 1
ATOM 153 H HG3 . ARG 9 9 ? A 8.863 9.117 -16.957 1.000 1 A 79.210 1
ATOM 154 H HD2 . ARG 9 9 ? A 8.566 7.234 -18.882 1.000 1 A 79.210 1
ATOM 155 H HD3 . ARG 9 9 ? A 8.199 8.949 -19.075 1.000 1 A 79.210 1
ATOM 156 H HE . ARG 9 9 ? A 10.928 8.584 -19.733 1.000 1 A 79.210 1
ATOM 157 H HH11 . ARG 9 9 ? A 8.310 7.945 -22.706 1.000 1 A 79.210 1
ATOM 158 H HH12 . ARG 9 9 ? A 7.778 7.750 -21.051 1.000 1 A 79.210 1
ATOM 159 H HH21 . ARG 9 9 ? A 11.512 8.903 -21.882 1.000 1 A 79.210 1
ATOM 160 H HH22 . ARG 9 9 ? A 10.374 8.563 -23.156 1.000 1 A 79.210 1
ATOM 161 N N . LYS 10 10 ? A 10.920 5.456 -14.321 1.000 1 A 77.470 1
ATOM 162 C CA . LYS 10 10 ? A 10.765 4.319 -13.402 1.000 1 A 77.470 1
ATOM 163 C C . LYS 10 10 ? A 10.803 4.774 -11.940 1.000 1 A 77.470 1
ATOM 164 O O . LYS 10 10 ? A 9.938 4.379 -11.169 1.000 1 A 77.470 1
ATOM 165 C CB . LYS 10 10 ? A 11.825 3.254 -13.726 1.000 1 A 77.470 1
ATOM 166 C CG . LYS 10 10 ? A 11.517 1.909 -13.047 1.000 1 A 77.470 1
ATOM 167 C CD . LYS 10 10 ? A 12.481 0.814 -13.530 1.000 1 A 77.470 1
ATOM 168 C CE . LYS 10 10 ? A 12.118 -0.537 -12.900 1.000 1 A 77.470 1
ATOM 169 N NZ . LYS 10 10 ? A 13.002 -1.635 -13.373 1.000 1 A 77.470 1
ATOM 170 H H . LYS 10 10 ? A 11.675 5.444 -14.992 1.000 1 A 77.470 1
ATOM 171 H HA . LYS 10 10 ? A 9.778 3.886 -13.561 1.000 1 A 77.470 1
ATOM 172 H HB2 . LYS 10 10 ? A 11.836 3.096 -14.804 1.000 1 A 77.470 1
ATOM 173 H HB3 . LYS 10 10 ? A 12.811 3.605 -13.421 1.000 1 A 77.470 1
ATOM 174 H HG2 . LYS 10 10 ? A 10.497 1.612 -13.290 1.000 1 A 77.470 1
ATOM 175 H HG3 . LYS 10 10 ? A 11.604 2.017 -11.966 1.000 1 A 77.470 1
ATOM 176 H HD2 . LYS 10 10 ? A 12.415 0.736 -14.616 1.000 1 A 77.470 1
ATOM 177 H HD3 . LYS 10 10 ? A 13.500 1.088 -13.256 1.000 1 A 77.470 1
ATOM 178 H HE2 . LYS 10 10 ? A 11.081 -0.765 -13.146 1.000 1 A 77.470 1
ATOM 179 H HE3 . LYS 10 10 ? A 12.184 -0.445 -11.815 1.000 1 A 77.470 1
ATOM 180 H HZ1 . LYS 10 10 ? A 12.932 -1.749 -14.374 1.000 1 A 77.470 1
ATOM 181 H HZ2 . LYS 10 10 ? A 13.967 -1.454 -13.135 1.000 1 A 77.470 1
ATOM 182 H HZ3 . LYS 10 10 ? A 12.738 -2.511 -12.946 1.000 1 A 77.470 1
ATOM 183 N N . HIS 11 11 ? A 11.729 5.665 -11.582 1.000 1 A 80.190 1
ATOM 184 C CA . HIS 11 11 ? A 11.810 6.226 -10.232 1.000 1 A 80.190 1
ATOM 185 C C . HIS 11 11 ? A 10.559 7.037 -9.849 1.000 1 A 80.190 1
ATOM 186 O O . HIS 11 11 ? A 10.026 6.859 -8.755 1.000 1 A 80.190 1
ATOM 187 C CB . HIS 11 11 ? A 13.084 7.070 -10.112 1.000 1 A 80.190 1
ATOM 188 C CG . HIS 11 11 ? A 13.305 7.564 -8.706 1.000 1 A 80.190 1
ATOM 189 N ND1 . HIS 11 11 ? A 13.735 6.806 -7.640 1.000 1 A 80.190 1
ATOM 190 C CD2 . HIS 11 11 ? A 13.060 8.824 -8.231 1.000 1 A 80.190 1
ATOM 191 C CE1 . HIS 11 11 ? A 13.751 7.592 -6.551 1.000 1 A 80.190 1
ATOM 192 N NE2 . HIS 11 11 ? A 13.336 8.831 -6.860 1.000 1 A 80.190 1
ATOM 193 H H . HIS 11 11 ? A 12.422 5.944 -12.261 1.000 1 A 80.190 1
ATOM 194 H HA . HIS 11 11 ? A 11.882 5.401 -9.522 1.000 1 A 80.190 1
ATOM 195 H HB2 . HIS 11 11 ? A 13.943 6.465 -10.402 1.000 1 A 80.190 1
ATOM 196 H HB3 . HIS 11 11 ? A 13.026 7.922 -10.789 1.000 1 A 80.190 1
ATOM 197 H HD1 . HIS 11 11 ? A 14.028 5.840 -7.666 1.000 1 A 80.190 1
ATOM 198 H HD2 . HIS 11 11 ? A 12.692 9.659 -8.808 1.000 1 A 80.190 1
ATOM 199 H HE1 . HIS 11 11 ? A 14.061 7.279 -5.565 1.000 1 A 80.190 1
ATOM 200 N N . LEU 12 12 ? A 10.048 7.878 -10.756 1.000 1 A 77.320 1
ATOM 201 C CA . LEU 12 12 ? A 8.805 8.634 -10.551 1.000 1 A 77.320 1
ATOM 202 C C . LEU 12 12 ? A 7.596 7.714 -10.341 1.000 1 A 77.320 1
ATOM 203 O O . LEU 12 12 ? A 6.815 7.949 -9.419 1.000 1 A 77.320 1
ATOM 204 C CB . LEU 12 12 ? A 8.575 9.570 -11.751 1.000 1 A 77.320 1
ATOM 205 C CG . LEU 12 12 ? A 9.330 10.904 -11.624 1.000 1 A 77.320 1
ATOM 206 C CD1 . LEU 12 12 ? A 9.551 11.524 -13.003 1.000 1 A 77.320 1
ATOM 207 C CD2 . LEU 12 12 ? A 8.535 11.898 -10.771 1.000 1 A 77.320 1
ATOM 208 H H . LEU 12 12 ? A 10.541 8.000 -11.629 1.000 1 A 77.320 1
ATOM 209 H HA . LEU 12 12 ? A 8.901 9.229 -9.642 1.000 1 A 77.320 1
ATOM 210 H HB2 . LEU 12 12 ? A 7.511 9.782 -11.852 1.000 1 A 77.320 1
ATOM 211 H HB3 . LEU 12 12 ? A 8.886 9.059 -12.662 1.000 1 A 77.320 1
ATOM 212 H HG . LEU 12 12 ? A 10.304 10.734 -11.166 1.000 1 A 77.320 1
ATOM 213 H HD11 . LEU 12 12 ? A 10.078 12.473 -12.899 1.000 1 A 77.320 1
ATOM 214 H HD12 . LEU 12 12 ? A 8.593 11.699 -13.494 1.000 1 A 77.320 1
ATOM 215 H HD13 . LEU 12 12 ? A 10.155 10.855 -13.615 1.000 1 A 77.320 1
ATOM 216 H HD21 . LEU 12 12 ? A 8.366 11.486 -9.776 1.000 1 A 77.320 1
ATOM 217 H HD22 . LEU 12 12 ? A 9.097 12.826 -10.673 1.000 1 A 77.320 1
ATOM 218 H HD23 . LEU 12 12 ? A 7.575 12.114 -11.239 1.000 1 A 77.320 1
ATOM 219 N N . PHE 13 13 ? A 7.461 6.654 -11.144 1.000 1 A 75.720 1
ATOM 220 C CA . PHE 13 13 ? A 6.400 5.661 -10.967 1.000 1 A 75.720 1
ATOM 221 C C . PHE 13 13 ? A 6.511 4.952 -9.619 1.000 1 A 75.720 1
ATOM 222 O O . PHE 13 13 ? A 5.518 4.883 -8.897 1.000 1 A 75.720 1
ATOM 223 C CB . PHE 13 13 ? A 6.401 4.648 -12.121 1.000 1 A 75.720 1
ATOM 224 C CG . PHE 13 13 ? A 5.655 5.134 -13.347 1.000 1 A 75.720 1
ATOM 225 C CD1 . PHE 13 13 ? A 4.251 5.232 -13.311 1.000 1 A 75.720 1
ATOM 226 C CD2 . PHE 13 13 ? A 6.343 5.467 -14.527 1.000 1 A 75.720 1
ATOM 227 C CE1 . PHE 13 13 ? A 3.546 5.684 -14.440 1.000 1 A 75.720 1
ATOM 228 C CE2 . PHE 13 13 ? A 5.642 5.940 -15.649 1.000 1 A 75.720 1
ATOM 229 C CZ . PHE 13 13 ? A 4.242 6.049 -15.605 1.000 1 A 75.720 1
ATOM 230 H H . PHE 13 13 ? A 8.121 6.529 -11.898 1.000 1 A 75.720 1
ATOM 231 H HA . PHE 13 13 ? A 5.438 6.174 -10.964 1.000 1 A 75.720 1
ATOM 232 H HB2 . PHE 13 13 ? A 7.426 4.383 -12.380 1.000 1 A 75.720 1
ATOM 233 H HB3 . PHE 13 13 ? A 5.907 3.736 -11.785 1.000 1 A 75.720 1
ATOM 234 H HD1 . PHE 13 13 ? A 3.711 4.945 -12.421 1.000 1 A 75.720 1
ATOM 235 H HD2 . PHE 13 13 ? A 7.413 5.332 -14.587 1.000 1 A 75.720 1
ATOM 236 H HE1 . PHE 13 13 ? A 2.468 5.738 -14.417 1.000 1 A 75.720 1
ATOM 237 H HE2 . PHE 13 13 ? A 6.172 6.190 -16.557 1.000 1 A 75.720 1
ATOM 238 H HZ . PHE 13 13 ? A 3.696 6.389 -16.473 1.000 1 A 75.720 1
ATOM 239 N N . THR 14 14 ? A 7.707 4.500 -9.233 1.000 1 A 76.950 1
ATOM 240 C CA . THR 14 14 ? A 7.924 3.858 -7.930 1.000 1 A 76.950 1
ATOM 241 C C . THR 14 14 ? A 7.571 4.799 -6.781 1.000 1 A 76.950 1
ATOM 242 O O . THR 14 14 ? A 6.835 4.406 -5.881 1.000 1 A 76.950 1
ATOM 243 C CB . THR 14 14 ? A 9.370 3.365 -7.784 1.000 1 A 76.950 1
ATOM 244 O OG1 . THR 14 14 ? A 9.700 2.502 -8.843 1.000 1 A 76.950 1
ATOM 245 C CG2 . THR 14 14 ? A 9.586 2.551 -6.511 1.000 1 A 76.950 1
ATOM 246 H H . THR 14 14 ? A 8.479 4.524 -9.883 1.000 1 A 76.950 1
ATOM 247 H HA . THR 14 14 ? A 7.266 2.992 -7.858 1.000 1 A 76.950 1
ATOM 248 H HB . THR 14 14 ? A 10.054 4.214 -7.790 1.000 1 A 76.950 1
ATOM 249 H HG1 . THR 14 14 ? A 10.435 1.961 -8.544 1.000 1 A 76.950 1
ATOM 250 H HG21 . THR 14 14 ? A 10.604 2.163 -6.480 1.000 1 A 76.950 1
ATOM 251 H HG22 . THR 14 14 ? A 8.879 1.723 -6.468 1.000 1 A 76.950 1
ATOM 252 H HG23 . THR 14 14 ? A 9.442 3.189 -5.640 1.000 1 A 76.950 1
ATOM 253 N N . LYS 15 15 ? A 8.015 6.062 -6.824 1.000 1 A 78.940 1
ATOM 254 C CA . LYS 15 15 ? A 7.715 7.050 -5.777 1.000 1 A 78.940 1
ATOM 255 C C . LYS 15 15 ? A 6.217 7.343 -5.677 1.000 1 A 78.940 1
ATOM 256 O O . LYS 15 15 ? A 5.673 7.394 -4.578 1.000 1 A 78.940 1
ATOM 257 C CB . LYS 15 15 ? A 8.543 8.319 -6.032 1.000 1 A 78.940 1
ATOM 258 C CG . LYS 15 15 ? A 8.473 9.289 -4.843 1.000 1 A 78.940 1
ATOM 259 C CD . LYS 15 15 ? A 9.425 10.478 -5.038 1.000 1 A 78.940 1
ATOM 260 C CE . LYS 15 15 ? A 9.382 11.381 -3.798 1.000 1 A 78.940 1
ATOM 261 N NZ . LYS 15 15 ? A 10.329 12.520 -3.904 1.000 1 A 78.940 1
ATOM 262 H H . LYS 15 15 ? A 8.611 6.334 -7.592 1.000 1 A 78.940 1
ATOM 263 H HA . LYS 15 15 ? A 8.006 6.629 -4.814 1.000 1 A 78.940 1
ATOM 264 H HB2 . LYS 15 15 ? A 9.583 8.029 -6.181 1.000 1 A 78.940 1
ATOM 265 H HB3 . LYS 15 15 ? A 8.191 8.815 -6.936 1.000 1 A 78.940 1
ATOM 266 H HG2 . LYS 15 15 ? A 8.754 8.757 -3.934 1.000 1 A 78.940 1
ATOM 267 H HG3 . LYS 15 15 ? A 7.455 9.661 -4.731 1.000 1 A 78.940 1
ATOM 268 H HD2 . LYS 15 15 ? A 10.438 10.102 -5.181 1.000 1 A 78.940 1
ATOM 269 H HD3 . LYS 15 15 ? A 9.123 11.041 -5.921 1.000 1 A 78.940 1
ATOM 270 H HE2 . LYS 15 15 ? A 9.625 10.777 -2.925 1.000 1 A 78.940 1
ATOM 271 H HE3 . LYS 15 15 ? A 8.363 11.746 -3.666 1.000 1 A 78.940 1
ATOM 272 H HZ1 . LYS 15 15 ? A 10.296 13.080 -3.064 1.000 1 A 78.940 1
ATOM 273 H HZ2 . LYS 15 15 ? A 10.100 13.112 -4.689 1.000 1 A 78.940 1
ATOM 274 H HZ3 . LYS 15 15 ? A 11.275 12.183 -4.012 1.000 1 A 78.940 1
ATOM 275 N N . LYS 16 16 ? A 5.535 7.489 -6.818 1.000 1 A 75.860 1
ATOM 276 C CA . LYS 16 16 ? A 4.084 7.712 -6.860 1.000 1 A 75.860 1
ATOM 277 C C . LYS 16 16 ? A 3.317 6.508 -6.308 1.000 1 A 75.860 1
ATOM 278 O O . LYS 16 16 ? A 2.357 6.698 -5.568 1.000 1 A 75.860 1
ATOM 279 C CB . LYS 16 16 ? A 3.668 8.076 -8.295 1.000 1 A 75.860 1
ATOM 280 C CG . LYS 16 16 ? A 2.308 8.787 -8.335 1.000 1 A 75.860 1
ATOM 281 C CD . LYS 16 16 ? A 1.968 9.254 -9.759 1.000 1 A 75.860 1
ATOM 282 C CE . LYS 16 16 ? A 0.660 10.056 -9.747 1.000 1 A 75.860 1
ATOM 283 N NZ . LYS 16 16 ? A 0.258 10.506 -11.105 1.000 1 A 75.860 1
ATOM 284 H H . LYS 16 16 ? A 6.047 7.438 -7.687 1.000 1 A 75.860 1
ATOM 285 H HA . LYS 16 16 ? A 3.851 8.548 -6.200 1.000 1 A 75.860 1
ATOM 286 H HB2 . LYS 16 16 ? A 4.410 8.759 -8.709 1.000 1 A 75.860 1
ATOM 287 H HB3 . LYS 16 16 ? A 3.642 7.179 -8.913 1.000 1 A 75.860 1
ATOM 288 H HG2 . LYS 16 16 ? A 2.341 9.654 -7.676 1.000 1 A 75.860 1
ATOM 289 H HG3 . LYS 16 16 ? A 1.532 8.107 -7.983 1.000 1 A 75.860 1
ATOM 290 H HD2 . LYS 16 16 ? A 2.776 9.881 -10.136 1.000 1 A 75.860 1
ATOM 291 H HD3 . LYS 16 16 ? A 1.862 8.380 -10.402 1.000 1 A 75.860 1
ATOM 292 H HE2 . LYS 16 16 ? A 0.786 10.917 -9.090 1.000 1 A 75.860 1
ATOM 293 H HE3 . LYS 16 16 ? A -0.122 9.431 -9.317 1.000 1 A 75.860 1
ATOM 294 H HZ1 . LYS 16 16 ? A 0.961 11.105 -11.513 1.000 1 A 75.860 1
ATOM 295 H HZ2 . LYS 16 16 ? A -0.607 11.025 -11.056 1.000 1 A 75.860 1
ATOM 296 H HZ3 . LYS 16 16 ? A 0.104 9.713 -11.711 1.000 1 A 75.860 1
ATOM 297 N N . ASN 17 17 ? A 3.778 5.293 -6.609 1.000 1 A 73.790 1
ATOM 298 C CA . ASN 17 17 ? A 3.162 4.066 -6.114 1.000 1 A 73.790 1
ATOM 299 C C . ASN 17 17 ? A 3.366 3.895 -4.600 1.000 1 A 73.790 1
ATOM 300 O O . ASN 17 17 ? A 2.416 3.586 -3.894 1.000 1 A 73.790 1
ATOM 301 C CB . ASN 17 17 ? A 3.702 2.871 -6.925 1.000 1 A 73.790 1
ATOM 302 C CG . ASN 17 17 ? A 2.702 1.734 -7.029 1.000 1 A 73.790 1
ATOM 303 O OD1 . ASN 17 17 ? A 1.507 1.906 -6.893 1.000 1 A 73.790 1
ATOM 304 N ND2 . ASN 17 17 ? A 3.146 0.541 -7.344 1.000 1 A 73.790 1
ATOM 305 H H . ASN 17 17 ? A 4.556 5.214 -7.248 1.000 1 A 73.790 1
ATOM 306 H HA . ASN 17 17 ? A 2.088 4.150 -6.277 1.000 1 A 73.790 1
ATOM 307 H HB2 . ASN 17 17 ? A 3.906 3.179 -7.951 1.000 1 A 73.790 1
ATOM 308 H HB3 . ASN 17 17 ? A 4.629 2.507 -6.481 1.000 1 A 73.790 1
ATOM 309 H HD21 . ASN 17 17 ? A 4.133 0.355 -7.451 1.000 1 A 73.790 1
ATOM 310 H HD22 . ASN 17 17 ? A 2.438 -0.178 -7.391 1.000 1 A 73.790 1
ATOM 311 N N . ILE 18 18 ? A 4.566 4.183 -4.080 1.000 1 A 79.620 1
ATOM 312 C CA . ILE 18 18 ? A 4.838 4.164 -2.631 1.000 1 A 79.620 1
ATOM 313 C C . ILE 18 18 ? A 3.938 5.166 -1.897 1.000 1 A 79.620 1
ATOM 314 O O . ILE 18 18 ? A 3.335 4.807 -0.888 1.000 1 A 79.620 1
ATOM 315 C CB . ILE 18 18 ? A 6.336 4.419 -2.344 1.000 1 A 79.620 1
ATOM 316 C CG1 . ILE 18 18 ? A 7.186 3.225 -2.838 1.000 1 A 79.620 1
ATOM 317 C CG2 . ILE 18 18 ? A 6.589 4.639 -0.839 1.000 1 A 79.620 1
ATOM 318 C CD1 . ILE 18 18 ? A 8.689 3.526 -2.903 1.000 1 A 79.620 1
ATOM 319 H H . ILE 18 18 ? A 5.324 4.414 -4.707 1.000 1 A 79.620 1
ATOM 320 H HA . ILE 18 18 ? A 4.582 3.178 -2.242 1.000 1 A 79.620 1
ATOM 321 H HB . ILE 18 18 ? A 6.642 5.319 -2.879 1.000 1 A 79.620 1
ATOM 322 H HG12 . ILE 18 18 ? A 6.867 2.924 -3.835 1.000 1 A 79.620 1
ATOM 323 H HG13 . ILE 18 18 ? A 7.026 2.372 -2.179 1.000 1 A 79.620 1
ATOM 324 H HG21 . ILE 18 18 ? A 6.232 3.783 -0.266 1.000 1 A 79.620 1
ATOM 325 H HG22 . ILE 18 18 ? A 6.078 5.535 -0.487 1.000 1 A 79.620 1
ATOM 326 H HG23 . ILE 18 18 ? A 7.651 4.784 -0.636 1.000 1 A 79.620 1
ATOM 327 H HD11 . ILE 18 18 ? A 9.093 3.705 -1.906 1.000 1 A 79.620 1
ATOM 328 H HD12 . ILE 18 18 ? A 9.207 2.666 -3.327 1.000 1 A 79.620 1
ATOM 329 H HD13 . ILE 18 18 ? A 8.867 4.400 -3.531 1.000 1 A 79.620 1
ATOM 330 N N . ASN 19 19 ? A 3.787 6.388 -2.420 1.000 1 A 76.850 1
ATOM 331 C CA . ASN 19 19 ? A 2.884 7.376 -1.825 1.000 1 A 76.850 1
ATOM 332 C C . ASN 19 19 ? A 1.426 6.897 -1.826 1.000 1 A 76.850 1
ATOM 333 O O . ASN 19 19 ? A 0.740 7.060 -0.822 1.000 1 A 76.850 1
ATOM 334 C CB . ASN 19 19 ? A 3.011 8.725 -2.555 1.000 1 A 76.850 1
ATOM 335 C CG . ASN 19 19 ? A 4.145 9.591 -2.038 1.000 1 A 76.850 1
ATOM 336 O OD1 . ASN 19 19 ? A 5.073 9.163 -1.378 1.000 1 A 76.850 1
ATOM 337 N ND2 . ASN 19 19 ? A 4.104 10.872 -2.321 1.000 1 A 76.850 1
ATOM 338 H H . ASN 19 19 ? A 4.353 6.656 -3.213 1.000 1 A 76.850 1
ATOM 339 H HA . ASN 19 19 ? A 3.155 7.514 -0.779 1.000 1 A 76.850 1
ATOM 340 H HB2 . ASN 19 19 ? A 2.087 9.281 -2.396 1.000 1 A 76.850 1
ATOM 341 H HB3 . ASN 19 19 ? A 3.132 8.569 -3.626 1.000 1 A 76.850 1
ATOM 342 H HD21 . ASN 19 19 ? A 3.277 11.262 -2.750 1.000 1 A 76.850 1
ATOM 343 H HD22 . ASN 19 19 ? A 4.775 11.438 -1.822 1.000 1 A 76.850 1
ATOM 344 N N . PHE 20 20 ? A 0.953 6.292 -2.920 1.000 1 A 78.410 1
ATOM 345 C CA . PHE 20 20 ? A -0.422 5.795 -2.998 1.000 1 A 78.410 1
ATOM 346 C C . PHE 20 20 ? A -0.668 4.639 -2.022 1.000 1 A 78.410 1
ATOM 347 O O . PHE 20 20 ? A -1.658 4.647 -1.295 1.000 1 A 78.410 1
ATOM 348 C CB . PHE 20 20 ? A -0.745 5.395 -4.441 1.000 1 A 78.410 1
ATOM 349 C CG . PHE 20 20 ? A -2.234 5.280 -4.690 1.000 1 A 78.410 1
ATOM 350 C CD1 . PHE 20 20 ? A -2.888 4.038 -4.586 1.000 1 A 78.410 1
ATOM 351 C CD2 . PHE 20 20 ? A -2.976 6.439 -4.987 1.000 1 A 78.410 1
ATOM 352 C CE1 . PHE 20 20 ? A -4.277 3.957 -4.790 1.000 1 A 78.410 1
ATOM 353 C CE2 . PHE 20 20 ? A -4.364 6.357 -5.192 1.000 1 A 78.410 1
ATOM 354 C CZ . PHE 20 20 ? A -5.015 5.115 -5.093 1.000 1 A 78.410 1
ATOM 355 H H . PHE 20 20 ? A 1.554 6.179 -3.723 1.000 1 A 78.410 1
ATOM 356 H HA . PHE 20 20 ? A -1.096 6.603 -2.710 1.000 1 A 78.410 1
ATOM 357 H HB2 . PHE 20 20 ? A -0.255 4.451 -4.681 1.000 1 A 78.410 1
ATOM 358 H HB3 . PHE 20 20 ? A -0.349 6.153 -5.117 1.000 1 A 78.410 1
ATOM 359 H HD1 . PHE 20 20 ? A -2.328 3.148 -4.339 1.000 1 A 78.410 1
ATOM 360 H HD2 . PHE 20 20 ? A -2.484 7.399 -5.041 1.000 1 A 78.410 1
ATOM 361 H HE1 . PHE 20 20 ? A -4.783 3.007 -4.699 1.000 1 A 78.410 1
ATOM 362 H HE2 . PHE 20 20 ? A -4.938 7.247 -5.402 1.000 1 A 78.410 1
ATOM 363 H HZ . PHE 20 20 ? A -6.084 5.053 -5.231 1.000 1 A 78.410 1
ATOM 364 N N . THR 21 21 ? A 0.266 3.689 -1.937 1.000 1 A 77.580 1
ATOM 365 C CA . THR 21 21 ? A 0.202 2.586 -0.970 1.000 1 A 77.580 1
ATOM 366 C C . THR 21 21 ? A 0.228 3.097 0.470 1.000 1 A 77.580 1
ATOM 367 O O . THR 21 21 ? A -0.525 2.600 1.302 1.000 1 A 77.580 1
ATOM 368 C CB . THR 21 21 ? A 1.359 1.604 -1.197 1.000 1 A 77.580 1
ATOM 369 O OG1 . THR 21 21 ? A 1.322 1.132 -2.521 1.000 1 A 77.580 1
ATOM 370 C CG2 . THR 21 21 ? A 1.275 0.367 -0.304 1.000 1 A 77.580 1
ATOM 371 H H . THR 21 21 ? A 1.027 3.688 -2.601 1.000 1 A 77.580 1
ATOM 372 H HA . THR 21 21 ? A -0.736 2.049 -1.113 1.000 1 A 77.580 1
ATOM 373 H HB . THR 21 21 ? A 2.308 2.112 -1.026 1.000 1 A 77.580 1
ATOM 374 H HG1 . THR 21 21 ? A 2.150 0.679 -2.699 1.000 1 A 77.580 1
ATOM 375 H HG21 . THR 21 21 ? A 0.310 -0.122 -0.439 1.000 1 A 77.580 1
ATOM 376 H HG22 . THR 21 21 ? A 2.072 -0.331 -0.562 1.000 1 A 77.580 1
ATOM 377 H HG23 . THR 21 21 ? A 1.389 0.649 0.742 1.000 1 A 77.580 1
ATOM 378 N N . GLY 22 22 ? A 1.051 4.107 0.768 1.000 1 A 77.830 1
ATOM 379 C CA . GLY 22 22 ? A 1.098 4.739 2.088 1.000 1 A 77.830 1
ATOM 380 C C . GLY 22 22 ? A -0.223 5.412 2.469 1.000 1 A 77.830 1
ATOM 381 O O . GLY 22 22 ? A -0.714 5.199 3.573 1.000 1 A 77.830 1
ATOM 382 H H . GLY 22 22 ? A 1.667 4.460 0.050 1.000 1 A 77.830 1
ATOM 383 H HA2 . GLY 22 22 ? A 1.334 3.990 2.844 1.000 1 A 77.830 1
ATOM 384 H HA3 . GLY 22 22 ? A 1.880 5.498 2.089 1.000 1 A 77.830 1
ATOM 385 N N . ILE 23 23 ? A -0.833 6.159 1.541 1.000 1 A 80.880 1
ATOM 386 C CA . ILE 23 23 ? A -2.145 6.793 1.748 1.000 1 A 80.880 1
ATOM 387 C C . ILE 23 23 ? A -3.229 5.732 1.957 1.000 1 A 80.880 1
ATOM 388 O O . ILE 23 23 ? A -4.005 5.845 2.898 1.000 1 A 80.880 1
ATOM 389 C CB . ILE 23 23 ? A -2.484 7.743 0.575 1.000 1 A 80.880 1
ATOM 390 C CG1 . ILE 23 23 ? A -1.525 8.957 0.570 1.000 1 A 80.880 1
ATOM 391 C CG2 . ILE 23 23 ? A -3.940 8.243 0.658 1.000 1 A 80.880 1
ATOM 392 C CD1 . ILE 23 23 ? A -1.522 9.731 -0.755 1.000 1 A 80.880 1
ATOM 393 H H . ILE 23 23 ? A -0.371 6.299 0.653 1.000 1 A 80.880 1
ATOM 394 H HA . ILE 23 23 ? A -2.109 7.385 2.663 1.000 1 A 80.880 1
ATOM 395 H HB . ILE 23 23 ? A -2.364 7.192 -0.358 1.000 1 A 80.880 1
ATOM 396 H HG12 . ILE 23 23 ? A -0.504 8.628 0.760 1.000 1 A 80.880 1
ATOM 397 H HG13 . ILE 23 23 ? A -1.797 9.636 1.379 1.000 1 A 80.880 1
ATOM 398 H HG21 . ILE 23 23 ? A -4.641 7.414 0.563 1.000 1 A 80.880 1
ATOM 399 H HG22 . ILE 23 23 ? A -4.160 8.942 -0.149 1.000 1 A 80.880 1
ATOM 400 H HG23 . ILE 23 23 ? A -4.115 8.736 1.615 1.000 1 A 80.880 1
ATOM 401 H HD11 . ILE 23 23 ? A -0.753 10.502 -0.717 1.000 1 A 80.880 1
ATOM 402 H HD12 . ILE 23 23 ? A -1.304 9.054 -1.580 1.000 1 A 80.880 1
ATOM 403 H HD13 . ILE 23 23 ? A -2.486 10.212 -0.922 1.000 1 A 80.880 1
ATOM 404 N N . LEU 24 24 ? A -3.251 4.673 1.141 1.000 1 A 82.610 1
ATOM 405 C CA . LEU 24 24 ? A -4.221 3.582 1.274 1.000 1 A 82.610 1
ATOM 406 C C . LEU 24 24 ? A -4.088 2.850 2.621 1.000 1 A 82.610 1
ATOM 407 O O . LEU 24 24 ? A -5.088 2.478 3.228 1.000 1 A 82.610 1
ATOM 408 C CB . LEU 24 24 ? A -4.014 2.601 0.106 1.000 1 A 82.610 1
ATOM 409 C CG . LEU 24 24 ? A -5.154 1.574 -0.031 1.000 1 A 82.610 1
ATOM 410 C CD1 . LEU 24 24 ? A -6.315 2.150 -0.842 1.000 1 A 82.610 1
ATOM 411 C CD2 . LEU 24 24 ? A -4.651 0.311 -0.730 1.000 1 A 82.610 1
ATOM 412 H H . LEU 24 24 ? A -2.602 4.648 0.368 1.000 1 A 82.610 1
ATOM 413 H HA . LEU 24 24 ? A -5.225 4.005 1.225 1.000 1 A 82.610 1
ATOM 414 H HB2 . LEU 24 24 ? A -3.926 3.157 -0.827 1.000 1 A 82.610 1
ATOM 415 H HB3 . LEU 24 24 ? A -3.071 2.078 0.266 1.000 1 A 82.610 1
ATOM 416 H HG . LEU 24 24 ? A -5.523 1.273 0.950 1.000 1 A 82.610 1
ATOM 417 H HD11 . LEU 24 24 ? A -5.981 2.429 -1.842 1.000 1 A 82.610 1
ATOM 418 H HD12 . LEU 24 24 ? A -7.121 1.420 -0.918 1.000 1 A 82.610 1
ATOM 419 H HD13 . LEU 24 24 ? A -6.706 3.035 -0.340 1.000 1 A 82.610 1
ATOM 420 H HD21 . LEU 24 24 ? A -5.472 -0.395 -0.855 1.000 1 A 82.610 1
ATOM 421 H HD22 . LEU 24 24 ? A -3.864 -0.148 -0.133 1.000 1 A 82.610 1
ATOM 422 H HD23 . LEU 24 24 ? A -4.251 0.571 -1.711 1.000 1 A 82.610 1
ATOM 423 N N . MET 25 25 ? A -2.855 2.627 3.088 1.000 1 A 80.590 1
ATOM 424 C CA . MET 25 25 ? A -2.598 2.029 4.401 1.000 1 A 80.590 1
ATOM 425 C C . MET 25 25 ? A -3.069 2.943 5.535 1.000 1 A 80.590 1
ATOM 426 O O . MET 25 25 ? A -3.702 2.455 6.466 1.000 1 A 80.590 1
ATOM 427 C CB . MET 25 25 ? A -1.101 1.729 4.566 1.000 1 A 80.590 1
ATOM 428 C CG . MET 25 25 ? A -0.637 0.482 3.808 1.000 1 A 80.590 1
ATOM 429 S SD . MET 25 25 ? A -1.119 -1.087 4.583 1.000 1 A 80.590 1
ATOM 430 C CE . MET 25 25 ? A 0.089 -2.196 3.813 1.000 1 A 80.590 1
ATOM 431 H H . MET 25 25 ? A -2.068 2.926 2.530 1.000 1 A 80.590 1
ATOM 432 H HA . MET 25 25 ? A -3.156 1.097 4.492 1.000 1 A 80.590 1
ATOM 433 H HB2 . MET 25 25 ? A -0.524 2.588 4.223 1.000 1 A 80.590 1
ATOM 434 H HB3 . MET 25 25 ? A -0.878 1.581 5.622 1.000 1 A 80.590 1
ATOM 435 H HG2 . MET 25 25 ? A 0.451 0.514 3.769 1.000 1 A 80.590 1
ATOM 436 H HG3 . MET 25 25 ? A -1.012 0.510 2.785 1.000 1 A 80.590 1
ATOM 437 H HE1 . MET 25 25 ? A -0.071 -3.212 4.174 1.000 1 A 80.590 1
ATOM 438 H HE2 . MET 25 25 ? A 1.098 -1.877 4.077 1.000 1 A 80.590 1
ATOM 439 H HE3 . MET 25 25 ? A -0.030 -2.173 2.729 1.000 1 A 80.590 1
ATOM 440 N N . TYR 26 26 ? A -2.788 4.247 5.453 1.000 1 A 81.990 1
ATOM 441 C CA . TYR 26 26 ? A -3.243 5.225 6.444 1.000 1 A 81.990 1
ATOM 442 C C . TYR 26 26 ? A -4.772 5.321 6.487 1.000 1 A 81.990 1
ATOM 443 O O . TYR 26 26 ? A -5.360 5.305 7.559 1.000 1 A 81.990 1
ATOM 444 C CB . TYR 26 26 ? A -2.612 6.590 6.147 1.000 1 A 81.990 1
ATOM 445 C CG . TYR 26 26 ? A -2.973 7.654 7.165 1.000 1 A 81.990 1
ATOM 446 C CD1 . TYR 26 26 ? A -4.005 8.575 6.894 1.000 1 A 81.990 1
ATOM 447 C CD2 . TYR 26 26 ? A -2.296 7.701 8.399 1.000 1 A 81.990 1
ATOM 448 C CE1 . TYR 26 26 ? A -4.349 9.548 7.851 1.000 1 A 81.990 1
ATOM 449 C CE2 . TYR 26 26 ? A -2.648 8.663 9.365 1.000 1 A 81.990 1
ATOM 450 C CZ . TYR 26 26 ? A -3.679 9.588 9.091 1.000 1 A 81.990 1
ATOM 451 O OH . TYR 26 26 ? A -4.030 10.515 10.019 1.000 1 A 81.990 1
ATOM 452 H H . TYR 26 26 ? A -2.265 4.587 4.658 1.000 1 A 81.990 1
ATOM 453 H HA . TYR 26 26 ? A -2.914 4.905 7.433 1.000 1 A 81.990 1
ATOM 454 H HB2 . TYR 26 26 ? A -1.527 6.480 6.131 1.000 1 A 81.990 1
ATOM 455 H HB3 . TYR 26 26 ? A -2.922 6.924 5.156 1.000 1 A 81.990 1
ATOM 456 H HD1 . TYR 26 26 ? A -4.549 8.521 5.963 1.000 1 A 81.990 1
ATOM 457 H HD2 . TYR 26 26 ? A -1.518 6.982 8.613 1.000 1 A 81.990 1
ATOM 458 H HE1 . TYR 26 26 ? A -5.149 10.248 7.660 1.000 1 A 81.990 1
ATOM 459 H HE2 . TYR 26 26 ? A -2.140 8.687 10.318 1.000 1 A 81.990 1
ATOM 460 H HH . TYR 26 26 ? A -3.555 10.400 10.845 1.000 1 A 81.990 1
ATOM 461 N N . ASP 27 27 ? A -5.426 5.345 5.329 1.000 1 A 81.100 1
ATOM 462 C CA . ASP 27 27 ? A -6.885 5.396 5.249 1.000 1 A 81.100 1
ATOM 463 C C . ASP 27 27 ? A -7.523 4.158 5.902 1.000 1 A 81.100 1
ATOM 464 O O . ASP 27 27 ? A -8.387 4.272 6.768 1.000 1 A 81.100 1
ATOM 465 C CB . ASP 27 27 ? A -7.271 5.544 3.774 1.000 1 A 81.100 1
ATOM 466 C CG . ASP 27 27 ? A -8.746 5.890 3.602 1.000 1 A 81.100 1
ATOM 467 O OD1 . ASP 27 27 ? A -9.159 6.915 4.186 1.000 1 A 81.100 1
ATOM 468 O OD2 . ASP 27 27 ? A -9.415 5.152 2.845 1.000 1 A 81.100 1
ATOM 469 H H . ASP 27 27 ? A -4.903 5.398 4.466 1.000 1 A 81.100 1
ATOM 470 H HA . ASP 27 27 ? A -7.241 6.274 5.788 1.000 1 A 81.100 1
ATOM 471 H HB2 . ASP 27 27 ? A -7.032 4.625 3.238 1.000 1 A 81.100 1
ATOM 472 H HB3 . ASP 27 27 ? A -6.686 6.351 3.332 1.000 1 A 81.100 1
ATOM 473 N N . LYS 28 28 ? A -7.003 2.960 5.598 1.000 1 A 82.510 1
ATOM 474 C CA . LYS 28 28 ? A -7.474 1.715 6.223 1.000 1 A 82.510 1
ATOM 475 C C . LYS 28 28 ? A -7.255 1.677 7.729 1.000 1 A 82.510 1
ATOM 476 O O . LYS 28 28 ? A -8.127 1.188 8.445 1.000 1 A 82.510 1
ATOM 477 C CB . LYS 28 28 ? A -6.792 0.505 5.586 1.000 1 A 82.510 1
ATOM 478 C CG . LYS 28 28 ? A -7.380 0.202 4.207 1.000 1 A 82.510 1
ATOM 479 C CD . LYS 28 28 ? A -6.712 -1.050 3.642 1.000 1 A 82.510 1
ATOM 480 C CE . LYS 28 28 ? A -7.305 -1.353 2.269 1.000 1 A 82.510 1
ATOM 481 N NZ . LYS 28 28 ? A -6.773 -2.626 1.734 1.000 1 A 82.510 1
ATOM 482 H H . LYS 28 28 ? A -6.282 2.926 4.892 1.000 1 A 82.510 1
ATOM 483 H HA . LYS 28 28 ? A -8.553 1.644 6.084 1.000 1 A 82.510 1
ATOM 484 H HB2 . LYS 28 28 ? A -5.720 0.683 5.509 1.000 1 A 82.510 1
ATOM 485 H HB3 . LYS 28 28 ? A -6.954 -0.364 6.225 1.000 1 A 82.510 1
ATOM 486 H HG2 . LYS 28 28 ? A -8.452 0.027 4.304 1.000 1 A 82.510 1
ATOM 487 H HG3 . LYS 28 28 ? A -7.221 1.045 3.534 1.000 1 A 82.510 1
ATOM 488 H HD2 . LYS 28 28 ? A -5.639 -0.876 3.555 1.000 1 A 82.510 1
ATOM 489 H HD3 . LYS 28 28 ? A -6.893 -1.885 4.319 1.000 1 A 82.510 1
ATOM 490 H HE2 . LYS 28 28 ? A -7.075 -0.522 1.602 1.000 1 A 82.510 1
ATOM 491 H HE3 . LYS 28 28 ? A -8.389 -1.407 2.368 1.000 1 A 82.510 1
ATOM 492 H HZ1 . LYS 28 28 ? A -7.177 -2.821 0.829 1.000 1 A 82.510 1
ATOM 493 H HZ2 . LYS 28 28 ? A -7.011 -3.381 2.361 1.000 1 A 82.510 1
ATOM 494 H HZ3 . LYS 28 28 ? A -5.767 -2.577 1.653 1.000 1 A 82.510 1
ATOM 495 N N . THR 29 29 ? A -6.110 2.152 8.224 1.000 1 A 82.310 1
ATOM 496 C CA . THR 29 29 ? A -5.880 2.182 9.671 1.000 1 A 82.310 1
ATOM 497 C C . THR 29 29 ? A -6.832 3.160 10.336 1.000 1 A 82.310 1
ATOM 498 O O . THR 29 29 ? A -7.466 2.779 11.312 1.000 1 A 82.310 1
ATOM 499 C CB . THR 29 29 ? A -4.429 2.481 10.063 1.000 1 A 82.310 1
ATOM 500 O OG1 . THR 29 29 ? A -3.945 3.651 9.466 1.000 1 A 82.310 1
ATOM 501 C CG2 . THR 29 29 ? A -3.480 1.347 9.682 1.000 1 A 82.310 1
ATOM 502 H H . THR 29 29 ? A -5.431 2.573 7.606 1.000 1 A 82.310 1
ATOM 503 H HA . THR 29 29 ? A -6.125 1.199 10.075 1.000 1 A 82.310 1
ATOM 504 H HB . THR 29 29 ? A -4.380 2.603 11.145 1.000 1 A 82.310 1
ATOM 505 H HG1 . THR 29 29 ? A -2.989 3.580 9.408 1.000 1 A 82.310 1
ATOM 506 H HG21 . THR 29 29 ? A -3.790 0.434 10.190 1.000 1 A 82.310 1
ATOM 507 H HG22 . THR 29 29 ? A -3.503 1.171 8.606 1.000 1 A 82.310 1
ATOM 508 H HG23 . THR 29 29 ? A -2.463 1.591 9.991 1.000 1 A 82.310 1
ATOM 509 N N . VAL 30 30 ? A -7.004 4.372 9.800 1.000 1 A 79.630 1
ATOM 510 C CA . VAL 30 30 ? A -7.936 5.378 10.339 1.000 1 A 79.630 1
ATOM 511 C C . VAL 30 30 ? A -9.368 4.844 10.391 1.000 1 A 79.630 1
ATOM 512 O O . VAL 30 30 ? A -10.018 4.971 11.427 1.000 1 A 79.630 1
ATOM 513 C CB . VAL 30 30 ? A -7.868 6.679 9.517 1.000 1 A 79.630 1
ATOM 514 C CG1 . VAL 30 30 ? A -8.941 7.696 9.930 1.000 1 A 79.630 1
ATOM 515 C CG2 . VAL 30 30 ? A -6.515 7.375 9.709 1.000 1 A 79.630 1
ATOM 516 H H . VAL 30 30 ? A -6.458 4.618 8.988 1.000 1 A 79.630 1
ATOM 517 H HA . VAL 30 30 ? A -7.649 5.612 11.365 1.000 1 A 79.630 1
ATOM 518 H HB . VAL 30 30 ? A -8.000 6.444 8.461 1.000 1 A 79.630 1
ATOM 519 H HG11 . VAL 30 30 ? A -9.934 7.324 9.678 1.000 1 A 79.630 1
ATOM 520 H HG12 . VAL 30 30 ? A -8.788 8.630 9.388 1.000 1 A 79.630 1
ATOM 521 H HG13 . VAL 30 30 ? A -8.887 7.887 11.002 1.000 1 A 79.630 1
ATOM 522 H HG21 . VAL 30 30 ? A -6.424 8.173 8.971 1.000 1 A 79.630 1
ATOM 523 H HG22 . VAL 30 30 ? A -6.442 7.799 10.711 1.000 1 A 79.630 1
ATOM 524 H HG23 . VAL 30 30 ? A -5.688 6.680 9.565 1.000 1 A 79.630 1
ATOM 525 N N . VAL 31 31 ? A -9.841 4.195 9.323 1.000 1 A 81.490 1
ATOM 526 C CA . VAL 31 31 ? A -11.168 3.557 9.297 1.000 1 A 81.490 1
ATOM 527 C C . VAL 31 31 ? A -11.283 2.488 10.386 1.000 1 A 81.490 1
ATOM 528 O O . VAL 31 31 ? A -12.247 2.496 11.146 1.000 1 A 81.490 1
ATOM 529 C CB . VAL 31 31 ? A -11.466 2.975 7.901 1.000 1 A 81.490 1
ATOM 530 C CG1 . VAL 31 31 ? A -12.739 2.119 7.877 1.000 1 A 81.490 1
ATOM 531 C CG2 . VAL 31 31 ? A -11.666 4.103 6.880 1.000 1 A 81.490 1
ATOM 532 H H . VAL 31 31 ? A -9.277 4.165 8.486 1.000 1 A 81.490 1
ATOM 533 H HA . VAL 31 31 ? A -11.924 4.310 9.518 1.000 1 A 81.490 1
ATOM 534 H HB . VAL 31 31 ? A -10.627 2.356 7.583 1.000 1 A 81.490 1
ATOM 535 H HG11 . VAL 31 31 ? A -13.585 2.685 8.266 1.000 1 A 81.490 1
ATOM 536 H HG12 . VAL 31 31 ? A -12.612 1.221 8.481 1.000 1 A 81.490 1
ATOM 537 H HG13 . VAL 31 31 ? A -12.958 1.804 6.856 1.000 1 A 81.490 1
ATOM 538 H HG21 . VAL 31 31 ? A -10.816 4.786 6.876 1.000 1 A 81.490 1
ATOM 539 H HG22 . VAL 31 31 ? A -12.563 4.673 7.119 1.000 1 A 81.490 1
ATOM 540 H HG23 . VAL 31 31 ? A -11.763 3.683 5.878 1.000 1 A 81.490 1
ATOM 541 N N . HIS 32 32 ? A -10.276 1.626 10.531 1.000 1 A 83.040 1
ATOM 542 C CA . HIS 32 32 ? A -10.274 0.580 11.554 1.000 1 A 83.040 1
ATOM 543 C C . HIS 32 32 ? A -10.263 1.148 12.986 1.000 1 A 83.040 1
ATOM 544 O O . HIS 32 32 ? A -11.000 0.679 13.851 1.000 1 A 83.040 1
ATOM 545 C CB . HIS 32 32 ? A -9.068 -0.326 11.295 1.000 1 A 83.040 1
ATOM 546 C CG . HIS 32 32 ? A -9.051 -1.557 12.155 1.000 1 A 83.040 1
ATOM 547 N ND1 . HIS 32 32 ? A -8.289 -1.752 13.282 1.000 1 A 83.040 1
ATOM 548 C CD2 . HIS 32 32 ? A -9.765 -2.706 11.940 1.000 1 A 83.040 1
ATOM 549 C CE1 . HIS 32 32 ? A -8.516 -3.002 13.717 1.000 1 A 83.040 1
ATOM 550 N NE2 . HIS 32 32 ? A -9.398 -3.626 12.926 1.000 1 A 83.040 1
ATOM 551 H H . HIS 32 32 ? A -9.506 1.662 9.879 1.000 1 A 83.040 1
ATOM 552 H HA . HIS 32 32 ? A -11.182 -0.013 11.446 1.000 1 A 83.040 1
ATOM 553 H HB2 . HIS 32 32 ? A -8.147 0.233 11.455 1.000 1 A 83.040 1
ATOM 554 H HB3 . HIS 32 32 ? A -9.090 -0.648 10.254 1.000 1 A 83.040 1
ATOM 555 H HD1 . HIS 32 32 ? A -7.726 -1.055 13.747 1.000 1 A 83.040 1
ATOM 556 H HD2 . HIS 32 32 ? A -10.472 -2.875 11.141 1.000 1 A 83.040 1
ATOM 557 H HE1 . HIS 32 32 ? A -8.066 -3.449 14.592 1.000 1 A 83.040 1
ATOM 558 N N . TRP 33 33 ? A -9.475 2.198 13.245 1.000 1 A 83.180 1
ATOM 559 C CA . TRP 33 33 ? A -9.490 2.912 14.528 1.000 1 A 83.180 1
ATOM 560 C C . TRP 33 33 ? A -10.866 3.519 14.819 1.000 1 A 83.180 1
ATOM 561 O O . TRP 33 33 ? A -11.347 3.448 15.951 1.000 1 A 83.180 1
ATOM 562 C CB . TRP 33 33 ? A -8.412 4.007 14.536 1.000 1 A 83.180 1
ATOM 563 C CG . TRP 33 33 ? A -7.007 3.521 14.721 1.000 1 A 83.180 1
ATOM 564 C CD1 . TRP 33 33 ? A -6.033 3.505 13.785 1.000 1 A 83.180 1
ATOM 565 C CD2 . TRP 33 33 ? A -6.357 3.089 15.953 1.000 1 A 83.180 1
ATOM 566 N NE1 . TRP 33 33 ? A -4.880 2.958 14.304 1.000 1 A 83.180 1
ATOM 567 C CE2 . TRP 33 33 ? A -5.009 2.727 15.653 1.000 1 A 83.180 1
ATOM 568 C CE3 . TRP 33 33 ? A -6.754 3.022 17.304 1.000 1 A 83.180 1
ATOM 569 C CZ2 . TRP 33 33 ? A -4.106 2.296 16.633 1.000 1 A 83.180 1
ATOM 570 C CZ3 . TRP 33 33 ? A -5.851 2.610 18.302 1.000 1 A 83.180 1
ATOM 571 C CH2 . TRP 33 33 ? A -4.534 2.242 17.969 1.000 1 A 83.180 1
ATOM 572 H H . TRP 33 33 ? A -8.884 2.547 12.505 1.000 1 A 83.180 1
ATOM 573 H HA . TRP 33 33 ? A -9.281 2.208 15.334 1.000 1 A 83.180 1
ATOM 574 H HB2 . TRP 33 33 ? A -8.625 4.690 15.358 1.000 1 A 83.180 1
ATOM 575 H HB3 . TRP 33 33 ? A -8.476 4.585 13.614 1.000 1 A 83.180 1
ATOM 576 H HD1 . TRP 33 33 ? A -6.145 3.891 12.783 1.000 1 A 83.180 1
ATOM 577 H HE1 . TRP 33 33 ? A -4.025 2.854 13.777 1.000 1 A 83.180 1
ATOM 578 H HE3 . TRP 33 33 ? A -7.762 3.306 17.572 1.000 1 A 83.180 1
ATOM 579 H HZ2 . TRP 33 33 ? A -3.092 2.034 16.370 1.000 1 A 83.180 1
ATOM 580 H HZ3 . TRP 33 33 ? A -6.175 2.568 19.331 1.000 1 A 83.180 1
ATOM 581 H HH2 . TRP 33 33 ? A -3.854 1.923 18.746 1.000 1 A 83.180 1
ATOM 582 N N . PHE 34 34 ? A -11.521 4.080 13.800 1.000 1 A 84.420 1
ATOM 583 C CA . PHE 34 34 ? A -12.855 4.653 13.933 1.000 1 A 84.420 1
ATOM 584 C C . PHE 34 34 ? A -13.926 3.586 14.213 1.000 1 A 84.420 1
ATOM 585 O O . PHE 34 34 ? A -14.807 3.808 15.041 1.000 1 A 84.420 1
ATOM 586 C CB . PHE 34 34 ? A -13.171 5.468 12.676 1.000 1 A 84.420 1
ATOM 587 C CG . PHE 34 34 ? A -14.417 6.318 12.798 1.000 1 A 84.420 1
ATOM 588 C CD1 . PHE 34 34 ? A -15.565 6.009 12.047 1.000 1 A 84.420 1
ATOM 589 C CD2 . PHE 34 34 ? A -14.413 7.447 13.637 1.000 1 A 84.420 1
ATOM 590 C CE1 . PHE 34 34 ? A -16.689 6.852 12.108 1.000 1 A 84.420 1
ATOM 591 C CE2 . PHE 34 34 ? A -15.551 8.266 13.728 1.000 1 A 84.420 1
ATOM 592 C CZ . PHE 34 34 ? A -16.690 7.972 12.960 1.000 1 A 84.420 1
ATOM 593 H H . PHE 34 34 ? A -11.072 4.117 12.896 1.000 1 A 84.420 1
ATOM 594 H HA . PHE 34 34 ? A -12.845 5.334 14.784 1.000 1 A 84.420 1
ATOM 595 H HB2 . PHE 34 34 ? A -13.269 4.795 11.824 1.000 1 A 84.420 1
ATOM 596 H HB3 . PHE 34 34 ? A -12.333 6.135 12.470 1.000 1 A 84.420 1
ATOM 597 H HD1 . PHE 34 34 ? A -15.557 5.156 11.386 1.000 1 A 84.420 1
ATOM 598 H HD2 . PHE 34 34 ? A -13.535 7.682 14.220 1.000 1 A 84.420 1
ATOM 599 H HE1 . PHE 34 34 ? A -17.530 6.664 11.457 1.000 1 A 84.420 1
ATOM 600 H HE2 . PHE 34 34 ? A -15.541 9.126 14.381 1.000 1 A 84.420 1
ATOM 601 H HZ . PHE 34 34 ? A -17.546 8.629 13.004 1.000 1 A 84.420 1
ATOM 602 N N . GLU 35 35 ? A -13.841 2.407 13.597 1.000 1 A 84.100 1
ATOM 603 C CA . GLU 35 35 ? A -14.744 1.282 13.884 1.000 1 A 84.100 1
ATOM 604 C C . GLU 35 35 ? A -14.582 0.755 15.316 1.000 1 A 84.100 1
ATOM 605 O O . GLU 35 35 ? A -15.578 0.575 16.022 1.000 1 A 84.100 1
ATOM 606 C CB . GLU 35 35 ? A -14.521 0.151 12.873 1.000 1 A 84.100 1
ATOM 607 C CG . GLU 35 35 ? A -15.129 0.488 11.504 1.000 1 A 84.100 1
ATOM 608 C CD . GLU 35 35 ? A -14.957 -0.638 10.472 1.000 1 A 84.100 1
ATOM 609 O OE1 . GLU 35 35 ? A -15.661 -0.562 9.439 1.000 1 A 84.100 1
ATOM 610 O OE2 . GLU 35 35 ? A -14.127 -1.548 10.698 1.000 1 A 84.100 1
ATOM 611 H H . GLU 35 35 ? A -13.128 2.275 12.894 1.000 1 A 84.100 1
ATOM 612 H HA . GLU 35 35 ? A -15.778 1.618 13.797 1.000 1 A 84.100 1
ATOM 613 H HB2 . GLU 35 35 ? A -15.005 -0.752 13.247 1.000 1 A 84.100 1
ATOM 614 H HB3 . GLU 35 35 ? A -13.453 -0.041 12.774 1.000 1 A 84.100 1
ATOM 615 H HG2 . GLU 35 35 ? A -16.191 0.688 11.640 1.000 1 A 84.100 1
ATOM 616 H HG3 . GLU 35 35 ? A -14.671 1.398 11.117 1.000 1 A 84.100 1
ATOM 617 N N . ILE 36 36 ? A -13.339 0.590 15.787 1.000 1 A 85.300 1
ATOM 618 C CA . ILE 36 36 ? A -13.065 0.214 17.183 1.000 1 A 85.300 1
ATOM 619 C C . ILE 36 36 ? A -13.659 1.255 18.138 1.000 1 A 85.300 1
ATOM 620 O O . ILE 36 36 ? A -14.311 0.884 19.111 1.000 1 A 85.300 1
ATOM 621 C CB . ILE 36 36 ? A -11.550 0.026 17.421 1.000 1 A 85.300 1
ATOM 622 C CG1 . ILE 36 36 ? A -11.029 -1.204 16.647 1.000 1 A 85.300 1
ATOM 623 C CG2 . ILE 36 36 ? A -11.250 -0.146 18.927 1.000 1 A 85.300 1
ATOM 624 C CD1 . ILE 36 36 ? A -9.499 -1.267 16.562 1.000 1 A 85.300 1
ATOM 625 H H . ILE 36 36 ? A -12.565 0.708 15.149 1.000 1 A 85.300 1
ATOM 626 H HA . ILE 36 36 ? A -13.565 -0.731 17.393 1.000 1 A 85.300 1
ATOM 627 H HB . ILE 36 36 ? A -11.029 0.915 17.064 1.000 1 A 85.300 1
ATOM 628 H HG12 . ILE 36 36 ? A -11.394 -2.112 17.127 1.000 1 A 85.300 1
ATOM 629 H HG13 . ILE 36 36 ? A -11.413 -1.200 15.627 1.000 1 A 85.300 1
ATOM 630 H HG21 . ILE 36 36 ? A -10.186 -0.306 19.104 1.000 1 A 85.300 1
ATOM 631 H HG22 . ILE 36 36 ? A -11.810 -0.991 19.326 1.000 1 A 85.300 1
ATOM 632 H HG23 . ILE 36 36 ? A -11.526 0.751 19.481 1.000 1 A 85.300 1
ATOM 633 H HD11 . ILE 36 36 ? A -9.216 -2.208 16.091 1.000 1 A 85.300 1
ATOM 634 H HD12 . ILE 36 36 ? A -9.041 -1.248 17.551 1.000 1 A 85.300 1
ATOM 635 H HD13 . ILE 36 36 ? A -9.125 -0.431 15.970 1.000 1 A 85.300 1
ATOM 636 N N . SER 37 37 ? A -13.501 2.550 17.839 1.000 1 A 81.390 1
ATOM 637 C CA . SER 37 37 ? A -14.012 3.631 18.695 1.000 1 A 81.390 1
ATOM 638 C C . SER 37 37 ? A -15.536 3.660 18.836 1.000 1 A 81.390 1
ATOM 639 O O . SER 37 37 ? A -16.040 4.228 19.795 1.000 1 A 81.390 1
ATOM 640 C CB . SER 37 37 ? A -13.511 4.991 18.201 1.000 1 A 81.390 1
ATOM 641 O OG . SER 37 37 ? A -14.182 5.454 17.042 1.000 1 A 81.390 1
ATOM 642 H H . SER 37 37 ? A -12.925 2.790 17.045 1.000 1 A 81.390 1
ATOM 643 H HA . SER 37 37 ? A -13.613 3.477 19.698 1.000 1 A 81.390 1
ATOM 644 H HB2 . SER 37 37 ? A -13.659 5.723 18.995 1.000 1 A 81.390 1
ATOM 645 H HB3 . SER 37 37 ? A -12.442 4.926 17.995 1.000 1 A 81.390 1
ATOM 646 H HG . SER 37 37 ? A -14.363 4.726 16.442 1.000 1 A 81.390 1
ATOM 647 N N . LYS 38 38 ? A -16.270 3.055 17.895 1.000 1 A 81.130 1
ATOM 648 C CA . LYS 38 38 ? A -17.731 2.916 17.969 1.000 1 A 81.130 1
ATOM 649 C C . LYS 38 38 ? A -18.187 1.674 18.729 1.000 1 A 81.130 1
ATOM 650 O O . LYS 38 38 ? A -19.367 1.569 19.045 1.000 1 A 81.130 1
ATOM 651 C CB . LYS 38 38 ? A -18.307 2.868 16.552 1.000 1 A 81.130 1
ATOM 652 C CG . LYS 38 38 ? A -18.287 4.235 15.868 1.000 1 A 81.130 1
ATOM 653 C CD . LYS 38 38 ? A -18.939 4.085 14.495 1.000 1 A 81.130 1
ATOM 654 C CE . LYS 38 38 ? A -19.089 5.454 13.846 1.000 1 A 81.130 1
ATOM 655 N NZ . LYS 38 38 ? A -19.695 5.317 12.501 1.000 1 A 81.130 1
ATOM 656 H H . LYS 38 38 ? A -15.783 2.597 17.138 1.000 1 A 81.130 1
ATOM 657 H HA . LYS 38 38 ? A -18.155 3.759 18.515 1.000 1 A 81.130 1
ATOM 658 H HB2 . LYS 38 38 ? A -17.751 2.145 15.956 1.000 1 A 81.130 1
ATOM 659 H HB3 . LYS 38 38 ? A -19.343 2.533 16.609 1.000 1 A 81.130 1
ATOM 660 H HG2 . LYS 38 38 ? A -17.262 4.591 15.756 1.000 1 A 81.130 1
ATOM 661 H HG3 . LYS 38 38 ? A -18.852 4.947 16.469 1.000 1 A 81.130 1
ATOM 662 H HD2 . LYS 38 38 ? A -18.311 3.444 13.877 1.000 1 A 81.130 1
ATOM 663 H HD3 . LYS 38 38 ? A -19.921 3.626 14.609 1.000 1 A 81.130 1
ATOM 664 H HE2 . LYS 38 38 ? A -19.711 6.076 14.490 1.000 1 A 81.130 1
ATOM 665 H HE3 . LYS 38 38 ? A -18.101 5.911 13.791 1.000 1 A 81.130 1
ATOM 666 H HZ1 . LYS 38 38 ? A -19.098 4.745 11.922 1.000 1 A 81.130 1
ATOM 667 H HZ2 . LYS 38 38 ? A -20.594 4.863 12.574 1.000 1 A 81.130 1
ATOM 668 H HZ3 . LYS 38 38 ? A -19.811 6.223 12.070 1.000 1 A 81.130 1
ATOM 669 N N . THR 39 39 ? A -17.289 0.712 18.924 1.000 1 A 79.870 1
ATOM 670 C CA . THR 39 39 ? A -17.596 -0.577 19.556 1.000 1 A 79.870 1
ATOM 671 C C . THR 39 39 ? A -17.357 -0.544 21.071 1.000 1 A 79.870 1
ATOM 672 O O . THR 39 39 ? A -17.918 -1.371 21.787 1.000 1 A 79.870 1
ATOM 673 C CB . THR 39 39 ? A -16.776 -1.691 18.883 1.000 1 A 79.870 1
ATOM 674 O OG1 . THR 39 39 ? A -16.964 -1.670 17.479 1.000 1 A 79.870 1
ATOM 675 C CG2 . THR 39 39 ? A -17.175 -3.094 19.340 1.000 1 A 79.870 1
ATOM 676 H H . THR 39 39 ? A -16.329 0.900 18.673 1.000 1 A 79.870 1
ATOM 677 H HA . THR 39 39 ? A -18.652 -0.806 19.411 1.000 1 A 79.870 1
ATOM 678 H HB . THR 39 39 ? A -15.718 -1.538 19.094 1.000 1 A 79.870 1
ATOM 679 H HG1 . THR 39 39 ? A -16.548 -0.880 17.126 1.000 1 A 79.870 1
ATOM 680 H HG21 . THR 39 39 ? A -18.254 -3.220 19.251 1.000 1 A 79.870 1
ATOM 681 H HG22 . THR 39 39 ? A -16.672 -3.836 18.719 1.000 1 A 79.870 1
ATOM 682 H HG23 . THR 39 39 ? A -16.874 -3.247 20.376 1.000 1 A 79.870 1
ATOM 683 N N . ILE 40 40 ? A -16.537 0.398 21.549 1.000 1 A 65.670 1
ATOM 684 C CA . ILE 40 40 ? A -16.277 0.676 22.973 1.000 1 A 65.670 1
ATOM 685 C C . ILE 40 40 ? A -17.279 1.715 23.475 1.000 1 A 65.670 1
ATOM 686 O O . ILE 40 40 ? A -17.795 1.522 24.597 1.000 1 A 65.670 1
ATOM 687 C CB . ILE 40 40 ? A -14.814 1.139 23.160 1.000 1 A 65.670 1
ATOM 688 C CG1 . ILE 40 40 ? A -13.826 0.042 22.697 1.000 1 A 65.670 1
ATOM 689 C CG2 . ILE 40 40 ? A -14.556 1.512 24.633 1.000 1 A 65.670 1
ATOM 690 C CD1 . ILE 40 40 ? A -12.360 0.493 22.661 1.000 1 A 65.670 1
ATOM 691 O OXT . ILE 40 40 ? A -17.467 2.699 22.729 1.000 1 A 65.670 1
ATOM 692 H H . ILE 40 40 ? A -16.218 1.106 20.904 1.000 1 A 65.670 1
ATOM 693 H HA . ILE 40 40 ? A -16.457 -0.219 23.568 1.000 1 A 65.670 1
ATOM 694 H HB . ILE 40 40 ? A -14.666 2.029 22.549 1.000 1 A 65.670 1
ATOM 695 H HG12 . ILE 40 40 ? A -13.918 -0.827 23.349 1.000 1 A 65.670 1
ATOM 696 H HG13 . ILE 40 40 ? A -14.080 -0.274 21.685 1.000 1 A 65.670 1
ATOM 697 H HG21 . ILE 40 40 ? A -14.753 0.651 25.272 1.000 1 A 65.670 1
ATOM 698 H HG22 . ILE 40 40 ? A -15.223 2.321 24.932 1.000 1 A 65.670 1
ATOM 699 H HG23 . ILE 40 40 ? A -13.534 1.861 24.774 1.000 1 A 65.670 1
ATOM 700 H HD11 . ILE 40 40 ? A -12.269 1.404 22.071 1.000 1 A 65.670 1
ATOM 701 H HD12 . ILE 40 40 ? A -11.987 0.667 23.670 1.000 1 A 65.670 1
ATOM 702 H HD13 . ILE 40 40 ? A -11.757 -0.289 22.199 1.000 1 A 65.670 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 77.848

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 52.980
2 1 A 2 PHE 2 64.290
3 1 A 3 PRO 2 67.390
4 1 A 4 THR 2 69.730
5 1 A 5 ASP 2 75.180
6 1 A 6 VAL 2 77.460
7 1 A 7 LEU 2 79.880
8 1 A 8 LYS 2 80.060
9 1 A 9 ARG 2 79.210
10 1 A 10 LYS 2 77.470
11 1 A 11 HIS 2 80.190
12 1 A 12 LEU 2 77.320
13 1 A 13 PHE 2 75.720
14 1 A 14 THR 2 76.950
15 1 A 15 LYS 2 78.940
16 1 A 16 LYS 2 75.860
17 1 A 17 ASN 2 73.790
18 1 A 18 ILE 2 79.620
19 1 A 19 ASN 2 76.850
20 1 A 20 PHE 2 78.410
21 1 A 21 THR 2 77.580
22 1 A 22 GLY 2 77.830
23 1 A 23 ILE 2 80.880
24 1 A 24 LEU 2 82.610
25 1 A 25 MET 2 80.590
26 1 A 26 TYR 2 81.990
27 1 A 27 ASP 2 81.100
28 1 A 28 LYS 2 82.510
29 1 A 29 THR 2 82.310
30 1 A 30 VAL 2 79.630
31 1 A 31 VAL 2 81.490
32 1 A 32 HIS 2 83.040
33 1 A 33 TRP 2 83.180
34 1 A 34 PHE 2 84.420
35 1 A 35 GLU 2 84.100
36 1 A 36 ILE 2 85.300
37 1 A 37 SER 2 81.390
38 1 A 38 LYS 2 81.130
39 1 A 39 THR 2 79.870
40 1 A 40 ILE 2 65.670

_database_2.database_id ModelArchive
_database_2.database_code ma-asfv-asfvg-023
_database_2.pdbx_DOI 10.5452/ma-asfv-asfvg-023

_pdbx_database_status.entry_id ma-asfv-asfvg-023
_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'