data_ma-asfv-asfvg-013
_entry.id ma-asfv-asfvg-013
_entry.ma_collection_id ma-asfv-asfvg

_struct.entry_id ma-asfv-asfvg-013
_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 00160'

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

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

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

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

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

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

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

loop_
_chem_comp.id
_chem_comp.type
_chem_comp.name
_chem_comp.formula
_chem_comp.formula_weight
_chem_comp.ma_provenance
ALA 'L-peptide linking' ALANINE 'C3 H7 N O2' 89.094 'CCD Core'
ARG 'L-peptide linking' ARGININE 'C6 H15 N4 O2 1' 175.212 'CCD Core'
ASN 'L-peptide linking' ASPARAGINE 'C4 H8 N2 O3' 132.119 'CCD Core'
ASP 'L-peptide linking' 'ASPARTIC ACID' 'C4 H7 N O4' 133.103 'CCD Core'
GLN 'L-peptide linking' GLUTAMINE 'C5 H10 N2 O3' 146.146 'CCD Core'
GLU 'L-peptide linking' 'GLUTAMIC ACID' 'C5 H9 N O4' 147.130 'CCD Core'
GLY 'peptide linking' GLYCINE 'C2 H5 N O2' 75.067 'CCD Core'
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'
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 00160 protein' 5516.356 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 . A0A3S7XUN5_ASF A0A3S7XUN5 . 1 42 10497 'African swine fever virus (ASFV)' 2019-05-08 4749189E58637820
1 NCBI . CAD2068352.1 1886136877 . 1 42 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 MHQMNLLDQDFIDVSMTIPGLRELIRVTGTLVFHAVLHIKPA MHQMNLLDQDFIDVSMTIPGLRELIRVTGTLVFHAVLHIKPA

loop_
_entity_poly_seq.entity_id
_entity_poly_seq.num
_entity_poly_seq.mon_id
_entity_poly_seq.hetero
1 1 MET .
1 2 HIS .
1 3 GLN .
1 4 MET .
1 5 ASN .
1 6 LEU .
1 7 LEU .
1 8 ASP .
1 9 GLN .
1 10 ASP .
1 11 PHE .
1 12 ILE .
1 13 ASP .
1 14 VAL .
1 15 SER .
1 16 MET .
1 17 THR .
1 18 ILE .
1 19 PRO .
1 20 GLY .
1 21 LEU .
1 22 ARG .
1 23 GLU .
1 24 LEU .
1 25 ILE .
1 26 ARG .
1 27 VAL .
1 28 THR .
1 29 GLY .
1 30 THR .
1 31 LEU .
1 32 VAL .
1 33 PHE .
1 34 HIS .
1 35 ALA .
1 36 VAL .
1 37 LEU .
1 38 HIS .
1 39 ILE .
1 40 LYS .
1 41 PRO .
1 42 ALA .

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 HIS 2 2 HIS HIS A .
A 1 3 GLN 3 3 GLN GLN A .
A 1 4 MET 4 4 MET MET A .
A 1 5 ASN 5 5 ASN ASN A .
A 1 6 LEU 6 6 LEU LEU A .
A 1 7 LEU 7 7 LEU LEU A .
A 1 8 ASP 8 8 ASP ASP A .
A 1 9 GLN 9 9 GLN GLN A .
A 1 10 ASP 10 10 ASP ASP A .
A 1 11 PHE 11 11 PHE PHE A .
A 1 12 ILE 12 12 ILE ILE A .
A 1 13 ASP 13 13 ASP ASP A .
A 1 14 VAL 14 14 VAL VAL A .
A 1 15 SER 15 15 SER SER A .
A 1 16 MET 16 16 MET MET A .
A 1 17 THR 17 17 THR THR A .
A 1 18 ILE 18 18 ILE ILE A .
A 1 19 PRO 19 19 PRO PRO A .
A 1 20 GLY 20 20 GLY GLY A .
A 1 21 LEU 21 21 LEU LEU A .
A 1 22 ARG 22 22 ARG ARG A .
A 1 23 GLU 23 23 GLU GLU A .
A 1 24 LEU 24 24 LEU LEU A .
A 1 25 ILE 25 25 ILE ILE A .
A 1 26 ARG 26 26 ARG ARG A .
A 1 27 VAL 27 27 VAL VAL A .
A 1 28 THR 28 28 THR THR A .
A 1 29 GLY 29 29 GLY GLY A .
A 1 30 THR 30 30 THR THR A .
A 1 31 LEU 31 31 LEU LEU A .
A 1 32 VAL 32 32 VAL VAL A .
A 1 33 PHE 33 33 PHE PHE A .
A 1 34 HIS 34 34 HIS HIS A .
A 1 35 ALA 35 35 ALA ALA A .
A 1 36 VAL 36 36 VAL VAL A .
A 1 37 LEU 37 37 LEU LEU A .
A 1 38 HIS 38 38 HIS HIS A .
A 1 39 ILE 39 39 ILE ILE A .
A 1 40 LYS 40 40 LYS LYS A .
A 1 41 PRO 41 41 PRO PRO A .
A 1 42 ALA 42 42 ALA ALA A .

loop_
_ma_data.id
_ma_data.name
_ma_data.content_type
_ma_data.content_type_other_details
1 'ASFV-G ASFV G ACD 00160 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 11.094 -22.683 14.454 1.000 1 A 48.280 1
ATOM 2 C CA . MET 1 1 ? A 9.755 -22.233 14.013 1.000 1 A 48.280 1
ATOM 3 C C . MET 1 1 ? A 9.933 -20.864 13.374 1.000 1 A 48.280 1
ATOM 4 O O . MET 1 1 ? A 10.740 -20.106 13.893 1.000 1 A 48.280 1
ATOM 5 C CB . MET 1 1 ? A 8.757 -22.191 15.182 1.000 1 A 48.280 1
ATOM 6 C CG . MET 1 1 ? A 8.513 -23.583 15.786 1.000 1 A 48.280 1
ATOM 7 S SD . MET 1 1 ? A 7.259 -23.585 17.088 1.000 1 A 48.280 1
ATOM 8 C CE . MET 1 1 ? A 7.631 -25.151 17.924 1.000 1 A 48.280 1
ATOM 9 H H . MET 1 1 ? A 11.478 -21.982 15.072 1.000 1 A 48.280 1
ATOM 10 H H2 . MET 1 1 ? A 11.040 -23.567 14.939 1.000 1 A 48.280 1
ATOM 11 H HA . MET 1 1 ? A 9.371 -22.916 13.255 1.000 1 A 48.280 1
ATOM 12 H HB2 . MET 1 1 ? A 7.807 -21.800 14.818 1.000 1 A 48.280 1
ATOM 13 H HB3 . MET 1 1 ? A 9.129 -21.524 15.959 1.000 1 A 48.280 1
ATOM 14 H HG2 . MET 1 1 ? A 9.446 -23.950 16.215 1.000 1 A 48.280 1
ATOM 15 H HG3 . MET 1 1 ? A 8.195 -24.270 15.002 1.000 1 A 48.280 1
ATOM 16 H HE1 . MET 1 1 ? A 8.644 -25.126 18.326 1.000 1 A 48.280 1
ATOM 17 H HE2 . MET 1 1 ? A 6.926 -25.296 18.743 1.000 1 A 48.280 1
ATOM 18 H HE3 . MET 1 1 ? A 7.534 -25.979 17.222 1.000 1 A 48.280 1
ATOM 19 H H3 . MET 1 1 ? A 11.716 -22.760 13.662 1.000 1 A 48.280 1
ATOM 20 N N . HIS 2 2 ? A 9.307 -20.619 12.218 1.000 1 A 66.970 1
ATOM 21 C CA . HIS 2 2 ? A 9.489 -19.435 11.362 1.000 1 A 66.970 1
ATOM 22 C C . HIS 2 2 ? A 9.510 -18.129 12.170 1.000 1 A 66.970 1
ATOM 23 O O . HIS 2 2 ? A 8.495 -17.743 12.741 1.000 1 A 66.970 1
ATOM 24 C CB . HIS 2 2 ? A 8.331 -19.394 10.338 1.000 1 A 66.970 1
ATOM 25 C CG . HIS 2 2 ? A 8.694 -19.835 8.944 1.000 1 A 66.970 1
ATOM 26 N ND1 . HIS 2 2 ? A 8.678 -21.119 8.439 1.000 1 A 66.970 1
ATOM 27 C CD2 . HIS 2 2 ? A 9.009 -18.999 7.905 1.000 1 A 66.970 1
ATOM 28 C CE1 . HIS 2 2 ? A 8.987 -21.053 7.131 1.000 1 A 66.970 1
ATOM 29 N NE2 . HIS 2 2 ? A 9.202 -19.785 6.768 1.000 1 A 66.970 1
ATOM 30 H H . HIS 2 2 ? A 8.603 -21.269 11.899 1.000 1 A 66.970 1
ATOM 31 H HA . HIS 2 2 ? A 10.431 -19.514 10.820 1.000 1 A 66.970 1
ATOM 32 H HB2 . HIS 2 2 ? A 7.481 -19.978 10.693 1.000 1 A 66.970 1
ATOM 33 H HB3 . HIS 2 2 ? A 7.973 -18.368 10.249 1.000 1 A 66.970 1
ATOM 34 H HD1 . HIS 2 2 ? A 8.368 -21.954 8.914 1.000 1 A 66.970 1
ATOM 35 H HD2 . HIS 2 2 ? A 9.073 -17.922 7.947 1.000 1 A 66.970 1
ATOM 36 H HE1 . HIS 2 2 ? A 9.024 -21.892 6.452 1.000 1 A 66.970 1
ATOM 37 N N . GLN 3 3 ? A 10.655 -17.447 12.201 1.000 1 A 64.910 1
ATOM 38 C CA . GLN 3 3 ? A 10.736 -16.072 12.679 1.000 1 A 64.910 1
ATOM 39 C C . GLN 3 3 ? A 10.205 -15.203 11.535 1.000 1 A 64.910 1
ATOM 40 O O . GLN 3 3 ? A 10.976 -14.692 10.729 1.000 1 A 64.910 1
ATOM 41 C CB . GLN 3 3 ? A 12.187 -15.779 13.120 1.000 1 A 64.910 1
ATOM 42 C CG . GLN 3 3 ? A 12.308 -14.635 14.140 1.000 1 A 64.910 1
ATOM 43 C CD . GLN 3 3 ? A 13.744 -14.441 14.631 1.000 1 A 64.910 1
ATOM 44 O OE1 . GLN 3 3 ? A 14.711 -14.922 14.066 1.000 1 A 64.910 1
ATOM 45 N NE2 . GLN 3 3 ? A 13.950 -13.736 15.723 1.000 1 A 64.910 1
ATOM 46 H H . GLN 3 3 ? A 11.465 -17.811 11.720 1.000 1 A 64.910 1
ATOM 47 H HA . GLN 3 3 ? A 10.080 -15.950 13.541 1.000 1 A 64.910 1
ATOM 48 H HB2 . GLN 3 3 ? A 12.583 -16.674 13.601 1.000 1 A 64.910 1
ATOM 49 H HB3 . GLN 3 3 ? A 12.810 -15.571 12.251 1.000 1 A 64.910 1
ATOM 50 H HG2 . GLN 3 3 ? A 11.673 -14.855 14.999 1.000 1 A 64.910 1
ATOM 51 H HG3 . GLN 3 3 ? A 11.963 -13.706 13.686 1.000 1 A 64.910 1
ATOM 52 H HE21 . GLN 3 3 ? A 13.184 -13.279 16.197 1.000 1 A 64.910 1
ATOM 53 H HE22 . GLN 3 3 ? A 14.918 -13.599 15.978 1.000 1 A 64.910 1
ATOM 54 N N . MET 4 4 ? A 8.876 -15.145 11.380 1.000 1 A 58.800 1
ATOM 55 C CA . MET 4 4 ? A 8.273 -14.096 10.561 1.000 1 A 58.800 1
ATOM 56 C C . MET 4 4 ? A 8.771 -12.786 11.161 1.000 1 A 58.800 1
ATOM 57 O O . MET 4 4 ? A 8.611 -12.554 12.362 1.000 1 A 58.800 1
ATOM 58 C CB . MET 4 4 ? A 6.739 -14.182 10.550 1.000 1 A 58.800 1
ATOM 59 C CG . MET 4 4 ? A 6.254 -15.314 9.639 1.000 1 A 58.800 1
ATOM 60 S SD . MET 4 4 ? A 4.460 -15.563 9.669 1.000 1 A 58.800 1
ATOM 61 C CE . MET 4 4 ? A 4.259 -16.752 8.323 1.000 1 A 58.800 1
ATOM 62 H H . MET 4 4 ? A 8.289 -15.637 12.039 1.000 1 A 58.800 1
ATOM 63 H HA . MET 4 4 ? A 8.638 -14.169 9.537 1.000 1 A 58.800 1
ATOM 64 H HB2 . MET 4 4 ? A 6.336 -13.246 10.163 1.000 1 A 58.800 1
ATOM 65 H HB3 . MET 4 4 ? A 6.366 -14.330 11.563 1.000 1 A 58.800 1
ATOM 66 H HG2 . MET 4 4 ? A 6.733 -16.246 9.939 1.000 1 A 58.800 1
ATOM 67 H HG3 . MET 4 4 ? A 6.553 -15.084 8.616 1.000 1 A 58.800 1
ATOM 68 H HE1 . MET 4 4 ? A 4.626 -16.314 7.394 1.000 1 A 58.800 1
ATOM 69 H HE2 . MET 4 4 ? A 4.820 -17.660 8.546 1.000 1 A 58.800 1
ATOM 70 H HE3 . MET 4 4 ? A 3.202 -16.993 8.212 1.000 1 A 58.800 1
ATOM 71 N N . ASN 5 5 ? A 9.504 -12.022 10.355 1.000 1 A 73.730 1
ATOM 72 C CA . ASN 5 5 ? A 10.094 -10.762 10.764 1.000 1 A 73.730 1
ATOM 73 C C . ASN 5 5 ? A 8.988 -9.919 11.408 1.000 1 A 73.730 1
ATOM 74 O O . ASN 5 5 ? A 7.871 -9.898 10.895 1.000 1 A 73.730 1
ATOM 75 C CB . ASN 5 5 ? A 10.659 -10.119 9.492 1.000 1 A 73.730 1
ATOM 76 C CG . ASN 5 5 ? A 11.550 -8.923 9.702 1.000 1 A 73.730 1
ATOM 77 O OD1 . ASN 5 5 ? A 11.790 -8.464 10.806 1.000 1 A 73.730 1
ATOM 78 N ND2 . ASN 5 5 ? A 12.052 -8.377 8.620 1.000 1 A 73.730 1
ATOM 79 H H . ASN 5 5 ? A 9.569 -12.267 9.378 1.000 1 A 73.730 1
ATOM 80 H HA . ASN 5 5 ? A 10.892 -10.945 11.484 1.000 1 A 73.730 1
ATOM 81 H HB2 . ASN 5 5 ? A 11.213 -10.857 8.912 1.000 1 A 73.730 1
ATOM 82 H HB3 . ASN 5 5 ? A 9.816 -9.768 8.898 1.000 1 A 73.730 1
ATOM 83 H HD21 . ASN 5 5 ? A 12.624 -7.553 8.735 1.000 1 A 73.730 1
ATOM 84 H HD22 . ASN 5 5 ? A 11.747 -8.721 7.721 1.000 1 A 73.730 1
ATOM 85 N N . LEU 6 6 ? A 9.267 -9.252 12.528 1.000 1 A 68.770 1
ATOM 86 C CA . LEU 6 6 ? A 8.257 -8.430 13.211 1.000 1 A 68.770 1
ATOM 87 C C . LEU 6 6 ? A 7.598 -7.450 12.227 1.000 1 A 68.770 1
ATOM 88 O O . LEU 6 6 ? A 6.381 -7.322 12.208 1.000 1 A 68.770 1
ATOM 89 C CB . LEU 6 6 ? A 8.927 -7.696 14.386 1.000 1 A 68.770 1
ATOM 90 C CG . LEU 6 6 ? A 9.103 -8.594 15.624 1.000 1 A 68.770 1
ATOM 91 C CD1 . LEU 6 6 ? A 10.217 -8.060 16.525 1.000 1 A 68.770 1
ATOM 92 C CD2 . LEU 6 6 ? A 7.814 -8.665 16.445 1.000 1 A 68.770 1
ATOM 93 H H . LEU 6 6 ? A 10.212 -9.270 12.884 1.000 1 A 68.770 1
ATOM 94 H HA . LEU 6 6 ? A 7.460 -9.072 13.585 1.000 1 A 68.770 1
ATOM 95 H HB2 . LEU 6 6 ? A 8.318 -6.835 14.662 1.000 1 A 68.770 1
ATOM 96 H HB3 . LEU 6 6 ? A 9.895 -7.317 14.057 1.000 1 A 68.770 1
ATOM 97 H HG . LEU 6 6 ? A 9.382 -9.601 15.312 1.000 1 A 68.770 1
ATOM 98 H HD11 . LEU 6 6 ? A 11.158 -8.043 15.975 1.000 1 A 68.770 1
ATOM 99 H HD12 . LEU 6 6 ? A 10.326 -8.704 17.398 1.000 1 A 68.770 1
ATOM 100 H HD13 . LEU 6 6 ? A 9.972 -7.049 16.850 1.000 1 A 68.770 1
ATOM 101 H HD21 . LEU 6 6 ? A 7.952 -9.316 17.307 1.000 1 A 68.770 1
ATOM 102 H HD22 . LEU 6 6 ? A 7.004 -9.061 15.831 1.000 1 A 68.770 1
ATOM 103 H HD23 . LEU 6 6 ? A 7.531 -7.669 16.784 1.000 1 A 68.770 1
ATOM 104 N N . LEU 7 7 ? A 8.398 -6.906 11.304 1.000 1 A 70.500 1
ATOM 105 C CA . LEU 7 7 ? A 7.933 -6.038 10.225 1.000 1 A 70.500 1
ATOM 106 C C . LEU 7 7 ? A 6.948 -6.718 9.259 1.000 1 A 70.500 1
ATOM 107 O O . LEU 7 7 ? A 6.002 -6.070 8.821 1.000 1 A 70.500 1
ATOM 108 C CB . LEU 7 7 ? A 9.154 -5.525 9.443 1.000 1 A 70.500 1
ATOM 109 C CG . LEU 7 7 ? A 10.168 -4.718 10.274 1.000 1 A 70.500 1
ATOM 110 C CD1 . LEU 7 7 ? A 11.347 -4.316 9.387 1.000 1 A 70.500 1
ATOM 111 C CD2 . LEU 7 7 ? A 9.553 -3.450 10.867 1.000 1 A 70.500 1
ATOM 112 H H . LEU 7 7 ? A 9.385 -7.110 11.365 1.000 1 A 70.500 1
ATOM 113 H HA . LEU 7 7 ? A 7.397 -5.196 10.663 1.000 1 A 70.500 1
ATOM 114 H HB2 . LEU 7 7 ? A 8.795 -4.897 8.628 1.000 1 A 70.500 1
ATOM 115 H HB3 . LEU 7 7 ? A 9.665 -6.380 8.999 1.000 1 A 70.500 1
ATOM 116 H HG . LEU 7 7 ? A 10.554 -5.336 11.084 1.000 1 A 70.500 1
ATOM 117 H HD11 . LEU 7 7 ? A 11.003 -3.661 8.587 1.000 1 A 70.500 1
ATOM 118 H HD12 . LEU 7 7 ? A 12.093 -3.794 9.986 1.000 1 A 70.500 1
ATOM 119 H HD13 . LEU 7 7 ? A 11.800 -5.208 8.955 1.000 1 A 70.500 1
ATOM 120 H HD21 . LEU 7 7 ? A 8.786 -3.713 11.596 1.000 1 A 70.500 1
ATOM 121 H HD22 . LEU 7 7 ? A 10.319 -2.867 11.378 1.000 1 A 70.500 1
ATOM 122 H HD23 . LEU 7 7 ? A 9.101 -2.847 10.079 1.000 1 A 70.500 1
ATOM 123 N N . ASP 8 8 ? A 7.146 -7.999 8.928 1.000 1 A 72.100 1
ATOM 124 C CA . ASP 8 8 ? A 6.212 -8.748 8.076 1.000 1 A 72.100 1
ATOM 125 C C . ASP 8 8 ? A 4.868 -8.932 8.793 1.000 1 A 72.100 1
ATOM 126 O O . ASP 8 8 ? A 3.813 -8.737 8.191 1.000 1 A 72.100 1
ATOM 127 C CB . ASP 8 8 ? A 6.791 -10.120 7.675 1.000 1 A 72.100 1
ATOM 128 C CG . ASP 8 8 ? A 7.850 -10.039 6.571 1.000 1 A 72.100 1
ATOM 129 O OD1 . ASP 8 8 ? A 7.498 -9.589 5.460 1.000 1 A 72.100 1
ATOM 130 O OD2 . ASP 8 8 ? A 9.001 -10.468 6.826 1.000 1 A 72.100 1
ATOM 131 H H . ASP 8 8 ? A 7.854 -8.525 9.421 1.000 1 A 72.100 1
ATOM 132 H HA . ASP 8 8 ? A 6.015 -8.179 7.168 1.000 1 A 72.100 1
ATOM 133 H HB2 . ASP 8 8 ? A 5.977 -10.739 7.297 1.000 1 A 72.100 1
ATOM 134 H HB3 . ASP 8 8 ? A 7.200 -10.627 8.549 1.000 1 A 72.100 1
ATOM 135 N N . GLN 9 9 ? A 4.896 -9.243 10.092 1.000 1 A 70.890 1
ATOM 136 C CA . GLN 9 9 ? A 3.680 -9.415 10.889 1.000 1 A 70.890 1
ATOM 137 C C . GLN 9 9 ? A 2.912 -8.102 11.063 1.000 1 A 70.890 1
ATOM 138 O O . GLN 9 9 ? A 1.703 -8.094 10.844 1.000 1 A 70.890 1
ATOM 139 C CB . GLN 9 9 ? A 4.020 -10.037 12.251 1.000 1 A 70.890 1
ATOM 140 C CG . GLN 9 9 ? A 4.489 -11.494 12.131 1.000 1 A 70.890 1
ATOM 141 C CD . GLN 9 9 ? A 3.374 -12.410 11.642 1.000 1 A 70.890 1
ATOM 142 O OE1 . GLN 9 9 ? A 3.227 -12.703 10.471 1.000 1 A 70.890 1
ATOM 143 N NE2 . GLN 9 9 ? A 2.517 -12.886 12.520 1.000 1 A 70.890 1
ATOM 144 H H . GLN 9 9 ? A 5.795 -9.314 10.546 1.000 1 A 70.890 1
ATOM 145 H HA . GLN 9 9 ? A 3.011 -10.086 10.351 1.000 1 A 70.890 1
ATOM 146 H HB2 . GLN 9 9 ? A 3.136 -10.005 12.888 1.000 1 A 70.890 1
ATOM 147 H HB3 . GLN 9 9 ? A 4.801 -9.450 12.734 1.000 1 A 70.890 1
ATOM 148 H HG2 . GLN 9 9 ? A 4.825 -11.835 13.110 1.000 1 A 70.890 1
ATOM 149 H HG3 . GLN 9 9 ? A 5.336 -11.556 11.448 1.000 1 A 70.890 1
ATOM 150 H HE21 . GLN 9 9 ? A 2.538 -12.558 13.475 1.000 1 A 70.890 1
ATOM 151 H HE22 . GLN 9 9 ? A 1.745 -13.403 12.123 1.000 1 A 70.890 1
ATOM 152 N N . ASP 10 10 ? A 3.593 -6.998 11.385 1.000 1 A 71.980 1
ATOM 153 C CA . ASP 10 10 ? A 2.965 -5.674 11.498 1.000 1 A 71.980 1
ATOM 154 C C . ASP 10 10 ? A 2.317 -5.257 10.172 1.000 1 A 71.980 1
ATOM 155 O O . ASP 10 10 ? A 1.184 -4.774 10.137 1.000 1 A 71.980 1
ATOM 156 C CB . ASP 10 10 ? A 4.017 -4.627 11.904 1.000 1 A 71.980 1
ATOM 157 C CG . ASP 10 10 ? A 4.379 -4.675 13.391 1.000 1 A 71.980 1
ATOM 158 O OD1 . ASP 10 10 ? A 3.442 -4.599 14.215 1.000 1 A 71.980 1
ATOM 159 O OD2 . ASP 10 10 ? A 5.593 -4.722 13.698 1.000 1 A 71.980 1
ATOM 160 H H . ASP 10 10 ? A 4.577 -7.072 11.598 1.000 1 A 71.980 1
ATOM 161 H HA . ASP 10 10 ? A 2.181 -5.700 12.255 1.000 1 A 71.980 1
ATOM 162 H HB2 . ASP 10 10 ? A 4.911 -4.754 11.294 1.000 1 A 71.980 1
ATOM 163 H HB3 . ASP 10 10 ? A 3.616 -3.634 11.698 1.000 1 A 71.980 1
ATOM 164 N N . PHE 11 11 ? A 2.999 -5.491 9.048 1.000 1 A 71.300 1
ATOM 165 C CA . PHE 11 11 ? A 2.454 -5.138 7.743 1.000 1 A 71.300 1
ATOM 166 C C . PHE 11 11 ? A 1.226 -5.982 7.389 1.000 1 A 71.300 1
ATOM 167 O O . PHE 11 11 ? A 0.241 -5.446 6.871 1.000 1 A 71.300 1
ATOM 168 C CB . PHE 11 11 ? A 3.549 -5.256 6.683 1.000 1 A 71.300 1
ATOM 169 C CG . PHE 11 11 ? A 3.294 -4.381 5.478 1.000 1 A 71.300 1
ATOM 170 C CD1 . PHE 11 11 ? A 2.710 -4.910 4.316 1.000 1 A 71.300 1
ATOM 171 C CD2 . PHE 11 11 ? A 3.668 -3.026 5.523 1.000 1 A 71.300 1
ATOM 172 C CE1 . PHE 11 11 ? A 2.539 -4.089 3.189 1.000 1 A 71.300 1
ATOM 173 C CE2 . PHE 11 11 ? A 3.466 -2.198 4.406 1.000 1 A 71.300 1
ATOM 174 C CZ . PHE 11 11 ? A 2.902 -2.731 3.235 1.000 1 A 71.300 1
ATOM 175 H H . PHE 11 11 ? A 3.927 -5.886 9.110 1.000 1 A 71.300 1
ATOM 176 H HA . PHE 11 11 ? A 2.132 -4.098 7.790 1.000 1 A 71.300 1
ATOM 177 H HB2 . PHE 11 11 ? A 4.497 -4.933 7.113 1.000 1 A 71.300 1
ATOM 178 H HB3 . PHE 11 11 ? A 3.666 -6.297 6.381 1.000 1 A 71.300 1
ATOM 179 H HD1 . PHE 11 11 ? A 2.432 -5.953 4.278 1.000 1 A 71.300 1
ATOM 180 H HD2 . PHE 11 11 ? A 4.116 -2.623 6.419 1.000 1 A 71.300 1
ATOM 181 H HE1 . PHE 11 11 ? A 2.159 -4.520 2.275 1.000 1 A 71.300 1
ATOM 182 H HE2 . PHE 11 11 ? A 3.756 -1.158 4.447 1.000 1 A 71.300 1
ATOM 183 H HZ . PHE 11 11 ? A 2.766 -2.103 2.367 1.000 1 A 71.300 1
ATOM 184 N N . ILE 12 12 ? A 1.252 -7.285 7.686 1.000 1 A 70.890 1
ATOM 185 C CA . ILE 12 12 ? A 0.108 -8.183 7.489 1.000 1 A 70.890 1
ATOM 186 C C . ILE 12 12 ? A -1.065 -7.764 8.386 1.000 1 A 70.890 1
ATOM 187 O O . ILE 12 12 ? A -2.191 -7.683 7.893 1.000 1 A 70.890 1
ATOM 188 C CB . ILE 12 12 ? A 0.529 -9.658 7.704 1.000 1 A 70.890 1
ATOM 189 C CG1 . ILE 12 12 ? A 1.478 -10.124 6.575 1.000 1 A 70.890 1
ATOM 190 C CG2 . ILE 12 12 ? A -0.697 -10.591 7.735 1.000 1 A 70.890 1
ATOM 191 C CD1 . ILE 12 12 ? A 2.225 -11.427 6.898 1.000 1 A 70.890 1
ATOM 192 H H . ILE 12 12 ? A 2.089 -7.660 8.110 1.000 1 A 70.890 1
ATOM 193 H HA . ILE 12 12 ? A -0.235 -8.081 6.459 1.000 1 A 70.890 1
ATOM 194 H HB . ILE 12 12 ? A 1.046 -9.735 8.661 1.000 1 A 70.890 1
ATOM 195 H HG12 . ILE 12 12 ? A 0.909 -10.261 5.656 1.000 1 A 70.890 1
ATOM 196 H HG13 . ILE 12 12 ? A 2.224 -9.356 6.373 1.000 1 A 70.890 1
ATOM 197 H HG21 . ILE 12 12 ? A -1.295 -10.467 6.833 1.000 1 A 70.890 1
ATOM 198 H HG22 . ILE 12 12 ? A -0.387 -11.631 7.832 1.000 1 A 70.890 1
ATOM 199 H HG23 . ILE 12 12 ? A -1.307 -10.364 8.610 1.000 1 A 70.890 1
ATOM 200 H HD11 . ILE 12 12 ? A 2.743 -11.334 7.853 1.000 1 A 70.890 1
ATOM 201 H HD12 . ILE 12 12 ? A 1.536 -12.271 6.942 1.000 1 A 70.890 1
ATOM 202 H HD13 . ILE 12 12 ? A 2.960 -11.621 6.118 1.000 1 A 70.890 1
ATOM 203 N N . ASP 13 13 ? A -0.824 -7.442 9.657 1.000 1 A 71.480 1
ATOM 204 C CA . ASP 13 13 ? A -1.866 -7.061 10.618 1.000 1 A 71.480 1
ATOM 205 C C . ASP 13 13 ? A -2.569 -5.750 10.231 1.000 1 A 71.480 1
ATOM 206 O O . ASP 13 13 ? A -3.801 -5.699 10.113 1.000 1 A 71.480 1
ATOM 207 C CB . ASP 13 13 ? A -1.256 -6.975 12.021 1.000 1 A 71.480 1
ATOM 208 C CG . ASP 13 13 ? A -2.368 -6.901 13.062 1.000 1 A 71.480 1
ATOM 209 O OD1 . ASP 13 13 ? A -2.713 -5.770 13.468 1.000 1 A 71.480 1
ATOM 210 O OD2 . ASP 13 13 ? A -2.908 -7.985 13.384 1.000 1 A 71.480 1
ATOM 211 H H . ASP 13 13 ? A 0.120 -7.517 10.008 1.000 1 A 71.480 1
ATOM 212 H HA . ASP 13 13 ? A -2.626 -7.841 10.640 1.000 1 A 71.480 1
ATOM 213 H HB2 . ASP 13 13 ? A -0.660 -7.867 12.212 1.000 1 A 71.480 1
ATOM 214 H HB3 . ASP 13 13 ? A -0.605 -6.103 12.096 1.000 1 A 71.480 1
ATOM 215 N N . VAL 14 14 ? A -1.797 -4.713 9.888 1.000 1 A 70.360 1
ATOM 216 C CA . VAL 14 14 ? A -2.354 -3.443 9.394 1.000 1 A 70.360 1
ATOM 217 C C . VAL 14 14 ? A -3.098 -3.666 8.069 1.000 1 A 70.360 1
ATOM 218 O O . VAL 14 14 ? A -4.178 -3.106 7.857 1.000 1 A 70.360 1
ATOM 219 C CB . VAL 14 14 ? A -1.253 -2.372 9.257 1.000 1 A 70.360 1
ATOM 220 C CG1 . VAL 14 14 ? A -1.828 -1.022 8.808 1.000 1 A 70.360 1
ATOM 221 C CG2 . VAL 14 14 ? A -0.559 -2.071 10.593 1.000 1 A 70.360 1
ATOM 222 H H . VAL 14 14 ? A -0.800 -4.796 10.026 1.000 1 A 70.360 1
ATOM 223 H HA . VAL 14 14 ? A -3.082 -3.087 10.123 1.000 1 A 70.360 1
ATOM 224 H HB . VAL 14 14 ? A -0.515 -2.707 8.529 1.000 1 A 70.360 1
ATOM 225 H HG11 . VAL 14 14 ? A -2.466 -0.608 9.588 1.000 1 A 70.360 1
ATOM 226 H HG12 . VAL 14 14 ? A -2.437 -1.143 7.912 1.000 1 A 70.360 1
ATOM 227 H HG13 . VAL 14 14 ? A -1.016 -0.326 8.597 1.000 1 A 70.360 1
ATOM 228 H HG21 . VAL 14 14 ? A -1.265 -1.635 11.300 1.000 1 A 70.360 1
ATOM 229 H HG22 . VAL 14 14 ? A -0.168 -2.981 11.048 1.000 1 A 70.360 1
ATOM 230 H HG23 . VAL 14 14 ? A 0.273 -1.384 10.437 1.000 1 A 70.360 1
ATOM 231 N N . SER 15 15 ? A -2.580 -4.530 7.189 1.000 1 A 65.710 1
ATOM 232 C CA . SER 15 15 ? A -3.228 -4.870 5.911 1.000 1 A 65.710 1
ATOM 233 C C . SER 15 15 ? A -4.530 -5.657 6.072 1.000 1 A 65.710 1
ATOM 234 O O . SER 15 15 ? A -5.403 -5.564 5.205 1.000 1 A 65.710 1
ATOM 235 C CB . SER 15 15 ? A -2.288 -5.684 5.019 1.000 1 A 65.710 1
ATOM 236 O OG . SER 15 15 ? A -1.137 -4.943 4.683 1.000 1 A 65.710 1
ATOM 237 H H . SER 15 15 ? A -1.703 -4.974 7.422 1.000 1 A 65.710 1
ATOM 238 H HA . SER 15 15 ? A -3.481 -3.950 5.384 1.000 1 A 65.710 1
ATOM 239 H HB2 . SER 15 15 ? A -2.811 -5.946 4.100 1.000 1 A 65.710 1
ATOM 240 H HB3 . SER 15 15 ? A -1.995 -6.602 5.529 1.000 1 A 65.710 1
ATOM 241 H HG . SER 15 15 ? A -0.544 -4.992 5.437 1.000 1 A 65.710 1
ATOM 242 N N . MET 16 16 ? A -4.678 -6.442 7.142 1.000 1 A 70.680 1
ATOM 243 C CA . MET 16 16 ? A -5.933 -7.122 7.482 1.000 1 A 70.680 1
ATOM 244 C C . MET 16 16 ? A -6.938 -6.167 8.128 1.000 1 A 70.680 1
ATOM 245 O O . MET 16 16 ? A -8.134 -6.273 7.857 1.000 1 A 70.680 1
ATOM 246 C CB . MET 16 16 ? A -5.665 -8.311 8.414 1.000 1 A 70.680 1
ATOM 247 C CG . MET 16 16 ? A -4.997 -9.479 7.680 1.000 1 A 70.680 1
ATOM 248 S SD . MET 16 16 ? A -4.868 -11.012 8.642 1.000 1 A 70.680 1
ATOM 249 C CE . MET 16 16 ? A -3.914 -10.429 10.076 1.000 1 A 70.680 1
ATOM 250 H H . MET 16 16 ? A -3.902 -6.532 7.783 1.000 1 A 70.680 1
ATOM 251 H HA . MET 16 16 ? A -6.399 -7.497 6.571 1.000 1 A 70.680 1
ATOM 252 H HB2 . MET 16 16 ? A -5.043 -7.991 9.250 1.000 1 A 70.680 1
ATOM 253 H HB3 . MET 16 16 ? A -6.617 -8.667 8.809 1.000 1 A 70.680 1
ATOM 254 H HG2 . MET 16 16 ? A -5.581 -9.699 6.786 1.000 1 A 70.680 1
ATOM 255 H HG3 . MET 16 16 ? A -3.999 -9.184 7.357 1.000 1 A 70.680 1
ATOM 256 H HE1 . MET 16 16 ? A -3.054 -9.848 9.742 1.000 1 A 70.680 1
ATOM 257 H HE2 . MET 16 16 ? A -4.536 -9.797 10.708 1.000 1 A 70.680 1
ATOM 258 H HE3 . MET 16 16 ? A -3.565 -11.281 10.659 1.000 1 A 70.680 1
ATOM 259 N N . THR 17 17 ? A -6.459 -5.223 8.939 1.000 1 A 76.140 1
ATOM 260 C CA . THR 17 17 ? A -7.295 -4.250 9.654 1.000 1 A 76.140 1
ATOM 261 C C . THR 17 17 ? A -7.855 -3.170 8.726 1.000 1 A 76.140 1
ATOM 262 O O . THR 17 17 ? A -8.994 -2.733 8.892 1.000 1 A 76.140 1
ATOM 263 C CB . THR 17 17 ? A -6.485 -3.623 10.799 1.000 1 A 76.140 1
ATOM 264 O OG1 . THR 17 17 ? A -6.067 -4.642 11.673 1.000 1 A 76.140 1
ATOM 265 C CG2 . THR 17 17 ? A -7.313 -2.655 11.647 1.000 1 A 76.140 1
ATOM 266 H H . THR 17 17 ? A -5.479 -5.264 9.180 1.000 1 A 76.140 1
ATOM 267 H HA . THR 17 17 ? A -8.144 -4.773 10.095 1.000 1 A 76.140 1
ATOM 268 H HB . THR 17 17 ? A -5.613 -3.103 10.402 1.000 1 A 76.140 1
ATOM 269 H HG1 . THR 17 17 ? A -5.195 -4.959 11.428 1.000 1 A 76.140 1
ATOM 270 H HG21 . THR 17 17 ? A -6.721 -2.336 12.505 1.000 1 A 76.140 1
ATOM 271 H HG22 . THR 17 17 ? A -7.583 -1.775 11.064 1.000 1 A 76.140 1
ATOM 272 H HG23 . THR 17 17 ? A -8.215 -3.153 12.002 1.000 1 A 76.140 1
ATOM 273 N N . ILE 18 18 ? A -7.086 -2.747 7.719 1.000 1 A 78.050 1
ATOM 274 C CA . ILE 18 18 ? A -7.488 -1.696 6.783 1.000 1 A 78.050 1
ATOM 275 C C . ILE 18 18 ? A -7.878 -2.344 5.444 1.000 1 A 78.050 1
ATOM 276 O O . ILE 18 18 ? A -6.997 -2.634 4.631 1.000 1 A 78.050 1
ATOM 277 C CB . ILE 18 18 ? A -6.380 -0.632 6.638 1.000 1 A 78.050 1
ATOM 278 C CG1 . ILE 18 18 ? A -5.931 -0.081 8.012 1.000 1 A 78.050 1
ATOM 279 C CG2 . ILE 18 18 ? A -6.888 0.518 5.739 1.000 1 A 78.050 1
ATOM 280 C CD1 . ILE 18 18 ? A -4.782 0.930 7.925 1.000 1 A 78.050 1
ATOM 281 H H . ILE 18 18 ? A -6.148 -3.116 7.652 1.000 1 A 78.050 1
ATOM 282 H HA . ILE 18 18 ? A -8.347 -1.169 7.201 1.000 1 A 78.050 1
ATOM 283 H HB . ILE 18 18 ? A -5.514 -1.105 6.176 1.000 1 A 78.050 1
ATOM 284 H HG12 . ILE 18 18 ? A -6.776 0.386 8.517 1.000 1 A 78.050 1
ATOM 285 H HG13 . ILE 18 18 ? A -5.578 -0.901 8.637 1.000 1 A 78.050 1
ATOM 286 H HG21 . ILE 18 18 ? A -7.701 1.047 6.235 1.000 1 A 78.050 1
ATOM 287 H HG22 . ILE 18 18 ? A -7.239 0.140 4.778 1.000 1 A 78.050 1
ATOM 288 H HG23 . ILE 18 18 ? A -6.081 1.222 5.536 1.000 1 A 78.050 1
ATOM 289 H HD11 . ILE 18 18 ? A -4.393 1.119 8.925 1.000 1 A 78.050 1
ATOM 290 H HD12 . ILE 18 18 ? A -3.981 0.535 7.300 1.000 1 A 78.050 1
ATOM 291 H HD13 . ILE 18 18 ? A -5.135 1.874 7.509 1.000 1 A 78.050 1
ATOM 292 N N . PRO 19 19 ? A -9.179 -2.533 5.142 1.000 1 A 70.540 1
ATOM 293 C CA . PRO 19 19 ? A -9.609 -3.196 3.906 1.000 1 A 70.540 1
ATOM 294 C C . PRO 19 19 ? A -9.083 -2.498 2.640 1.000 1 A 70.540 1
ATOM 295 O O . PRO 19 19 ? A -8.772 -3.164 1.654 1.000 1 A 70.540 1
ATOM 296 C CB . PRO 19 19 ? A -11.142 -3.225 3.969 1.000 1 A 70.540 1
ATOM 297 C CG . PRO 19 19 ? A -11.507 -2.129 4.971 1.000 1 A 70.540 1
ATOM 298 C CD . PRO 19 19 ? A -10.332 -2.144 5.941 1.000 1 A 70.540 1
ATOM 299 H HA . PRO 19 19 ? A -9.233 -4.219 3.902 1.000 1 A 70.540 1
ATOM 300 H HB2 . PRO 19 19 ? A -11.600 -3.046 2.996 1.000 1 A 70.540 1
ATOM 301 H HB3 . PRO 19 19 ? A -11.465 -4.189 4.361 1.000 1 A 70.540 1
ATOM 302 H HG2 . PRO 19 19 ? A -11.548 -1.166 4.462 1.000 1 A 70.540 1
ATOM 303 H HG3 . PRO 19 19 ? A -12.450 -2.337 5.477 1.000 1 A 70.540 1
ATOM 304 H HD2 . PRO 19 19 ? A -10.218 -1.154 6.383 1.000 1 A 70.540 1
ATOM 305 H HD3 . PRO 19 19 ? A -10.500 -2.889 6.719 1.000 1 A 70.540 1
ATOM 306 N N . GLY 20 20 ? A -8.910 -1.171 2.690 1.000 1 A 80.190 1
ATOM 307 C CA . GLY 20 20 ? A -8.338 -0.382 1.597 1.000 1 A 80.190 1
ATOM 308 C C . GLY 20 20 ? A -6.815 -0.477 1.457 1.000 1 A 80.190 1
ATOM 309 O O . GLY 20 20 ? A -6.299 -0.204 0.378 1.000 1 A 80.190 1
ATOM 310 H H . GLY 20 20 ? A -9.187 -0.691 3.534 1.000 1 A 80.190 1
ATOM 311 H HA2 . GLY 20 20 ? A -8.590 0.667 1.753 1.000 1 A 80.190 1
ATOM 312 H HA3 . GLY 20 20 ? A -8.784 -0.698 0.654 1.000 1 A 80.190 1
ATOM 313 N N . LEU 21 21 ? A -6.073 -0.892 2.493 1.000 1 A 83.700 1
ATOM 314 C CA . LEU 21 21 ? A -4.608 -0.932 2.436 1.000 1 A 83.700 1
ATOM 315 C C . LEU 21 21 ? A -4.118 -2.060 1.528 1.000 1 A 83.700 1
ATOM 316 O O . LEU 21 21 ? A -3.226 -1.850 0.710 1.000 1 A 83.700 1
ATOM 317 C CB . LEU 21 21 ? A -4.024 -1.047 3.853 1.000 1 A 83.700 1
ATOM 318 C CG . LEU 21 21 ? A -2.485 -1.084 3.895 1.000 1 A 83.700 1
ATOM 319 C CD1 . LEU 21 21 ? A -1.854 0.173 3.295 1.000 1 A 83.700 1
ATOM 320 C CD2 . LEU 21 21 ? A -1.997 -1.194 5.328 1.000 1 A 83.700 1
ATOM 321 H H . LEU 21 21 ? A -6.528 -1.224 3.331 1.000 1 A 83.700 1
ATOM 322 H HA . LEU 21 21 ? A -4.264 0.007 2.003 1.000 1 A 83.700 1
ATOM 323 H HB2 . LEU 21 21 ? A -4.359 -0.189 4.436 1.000 1 A 83.700 1
ATOM 324 H HB3 . LEU 21 21 ? A -4.401 -1.959 4.316 1.000 1 A 83.700 1
ATOM 325 H HG . LEU 21 21 ? A -2.133 -1.962 3.353 1.000 1 A 83.700 1
ATOM 326 H HD11 . LEU 21 21 ? A -0.776 0.148 3.451 1.000 1 A 83.700 1
ATOM 327 H HD12 . LEU 21 21 ? A -2.265 1.066 3.767 1.000 1 A 83.700 1
ATOM 328 H HD13 . LEU 21 21 ? A -2.035 0.203 2.220 1.000 1 A 83.700 1
ATOM 329 H HD21 . LEU 21 21 ? A -0.922 -1.374 5.340 1.000 1 A 83.700 1
ATOM 330 H HD22 . LEU 21 21 ? A -2.214 -0.270 5.864 1.000 1 A 83.700 1
ATOM 331 H HD23 . LEU 21 21 ? A -2.490 -2.033 5.820 1.000 1 A 83.700 1
ATOM 332 N N . ARG 22 22 ? A -4.740 -3.242 1.602 1.000 1 A 80.820 1
ATOM 333 C CA . ARG 22 22 ? A -4.399 -4.364 0.713 1.000 1 A 80.820 1
ATOM 334 C C . ARG 22 22 ? A -4.644 -4.023 -0.758 1.000 1 A 80.820 1
ATOM 335 O O . ARG 22 22 ? A -3.850 -4.404 -1.619 1.000 1 A 80.820 1
ATOM 336 C CB . ARG 22 22 ? A -5.185 -5.606 1.149 1.000 1 A 80.820 1
ATOM 337 C CG . ARG 22 22 ? A -4.723 -6.856 0.382 1.000 1 A 80.820 1
ATOM 338 C CD . ARG 22 22 ? A -5.449 -8.113 0.867 1.000 1 A 80.820 1
ATOM 339 N NE . ARG 22 22 ? A -6.887 -8.083 0.518 1.000 1 A 80.820 1
ATOM 340 C CZ . ARG 22 22 ? A -7.904 -8.348 1.319 1.000 1 A 80.820 1
ATOM 341 N NH1 . ARG 22 22 ? A -7.747 -8.661 2.575 1.000 1 A 80.820 1
ATOM 342 N NH2 . ARG 22 22 ? A -9.125 -8.290 0.864 1.000 1 A 80.820 1
ATOM 343 H H . ARG 22 22 ? A -5.446 -3.359 2.315 1.000 1 A 80.820 1
ATOM 344 H HA . ARG 22 22 ? A -3.332 -4.563 0.814 1.000 1 A 80.820 1
ATOM 345 H HB2 . ARG 22 22 ? A -6.250 -5.435 0.985 1.000 1 A 80.820 1
ATOM 346 H HB3 . ARG 22 22 ? A -5.022 -5.768 2.214 1.000 1 A 80.820 1
ATOM 347 H HG2 . ARG 22 22 ? A -4.900 -6.734 -0.686 1.000 1 A 80.820 1
ATOM 348 H HG3 . ARG 22 22 ? A -3.653 -6.991 0.543 1.000 1 A 80.820 1
ATOM 349 H HD2 . ARG 22 22 ? A -4.989 -8.982 0.396 1.000 1 A 80.820 1
ATOM 350 H HD3 . ARG 22 22 ? A -5.299 -8.200 1.943 1.000 1 A 80.820 1
ATOM 351 H HE . ARG 22 22 ? A -7.121 -7.766 -0.412 1.000 1 A 80.820 1
ATOM 352 H HH11 . ARG 22 22 ? A -6.825 -8.614 2.983 1.000 1 A 80.820 1
ATOM 353 H HH12 . ARG 22 22 ? A -8.539 -8.789 3.188 1.000 1 A 80.820 1
ATOM 354 H HH21 . ARG 22 22 ? A -9.313 -7.937 -0.063 1.000 1 A 80.820 1
ATOM 355 H HH22 . ARG 22 22 ? A -9.896 -8.447 1.498 1.000 1 A 80.820 1
ATOM 356 N N . GLU 23 23 ? A -5.735 -3.317 -1.049 1.000 1 A 86.330 1
ATOM 357 C CA . GLU 23 23 ? A -6.021 -2.831 -2.401 1.000 1 A 86.330 1
ATOM 358 C C . GLU 23 23 ? A -5.012 -1.759 -2.824 1.000 1 A 86.330 1
ATOM 359 O O . GLU 23 23 ? A -4.435 -1.870 -3.903 1.000 1 A 86.330 1
ATOM 360 C CB . GLU 23 23 ? A -7.466 -2.328 -2.485 1.000 1 A 86.330 1
ATOM 361 C CG . GLU 23 23 ? A -7.844 -2.004 -3.935 1.000 1 A 86.330 1
ATOM 362 C CD . GLU 23 23 ? A -9.336 -1.689 -4.045 1.000 1 A 86.330 1
ATOM 363 O OE1 . GLU 23 23 ? A -9.668 -0.490 -4.156 1.000 1 A 86.330 1
ATOM 364 O OE2 . GLU 23 23 ? A -10.116 -2.669 -4.008 1.000 1 A 86.330 1
ATOM 365 H H . GLU 23 23 ? A -6.329 -3.008 -0.293 1.000 1 A 86.330 1
ATOM 366 H HA . GLU 23 23 ? A -5.917 -3.659 -3.101 1.000 1 A 86.330 1
ATOM 367 H HB2 . GLU 23 23 ? A -7.590 -1.442 -1.863 1.000 1 A 86.330 1
ATOM 368 H HB3 . GLU 23 23 ? A -8.126 -3.112 -2.112 1.000 1 A 86.330 1
ATOM 369 H HG2 . GLU 23 23 ? A -7.255 -1.156 -4.285 1.000 1 A 86.330 1
ATOM 370 H HG3 . GLU 23 23 ? A -7.606 -2.861 -4.565 1.000 1 A 86.330 1
ATOM 371 N N . LEU 24 24 ? A -4.704 -0.801 -1.946 1.000 1 A 87.590 1
ATOM 372 C CA . LEU 24 24 ? A -3.695 0.230 -2.184 1.000 1 A 87.590 1
ATOM 373 C C . LEU 24 24 ? A -2.322 -0.370 -2.514 1.000 1 A 87.590 1
ATOM 374 O O . LEU 24 24 ? A -1.703 0.043 -3.494 1.000 1 A 87.590 1
ATOM 375 C CB . LEU 24 24 ? A -3.629 1.143 -0.946 1.000 1 A 87.590 1
ATOM 376 C CG . LEU 24 24 ? A -2.615 2.294 -1.052 1.000 1 A 87.590 1
ATOM 377 C CD1 . LEU 24 24 ? A -3.006 3.292 -2.142 1.000 1 A 87.590 1
ATOM 378 C CD2 . LEU 24 24 ? A -2.539 3.030 0.285 1.000 1 A 87.590 1
ATOM 379 H H . LEU 24 24 ? A -5.237 -0.740 -1.091 1.000 1 A 87.590 1
ATOM 380 H HA . LEU 24 24 ? A -4.014 0.819 -3.044 1.000 1 A 87.590 1
ATOM 381 H HB2 . LEU 24 24 ? A -4.617 1.564 -0.766 1.000 1 A 87.590 1
ATOM 382 H HB3 . LEU 24 24 ? A -3.359 0.538 -0.080 1.000 1 A 87.590 1
ATOM 383 H HG . LEU 24 24 ? A -1.624 1.897 -1.273 1.000 1 A 87.590 1
ATOM 384 H HD11 . LEU 24 24 ? A -2.295 4.118 -2.153 1.000 1 A 87.590 1
ATOM 385 H HD12 . LEU 24 24 ? A -4.007 3.681 -1.956 1.000 1 A 87.590 1
ATOM 386 H HD13 . LEU 24 24 ? A -2.978 2.812 -3.120 1.000 1 A 87.590 1
ATOM 387 H HD21 . LEU 24 24 ? A -2.220 2.343 1.069 1.000 1 A 87.590 1
ATOM 388 H HD22 . LEU 24 24 ? A -3.515 3.442 0.543 1.000 1 A 87.590 1
ATOM 389 H HD23 . LEU 24 24 ? A -1.814 3.840 0.218 1.000 1 A 87.590 1
ATOM 390 N N . ILE 25 25 ? A -1.859 -1.366 -1.750 1.000 1 A 86.580 1
ATOM 391 C CA . ILE 25 25 ? A -0.590 -2.068 -2.004 1.000 1 A 86.580 1
ATOM 392 C C . ILE 25 25 ? A -0.632 -2.765 -3.367 1.000 1 A 86.580 1
ATOM 393 O O . ILE 25 25 ? A 0.323 -2.661 -4.136 1.000 1 A 86.580 1
ATOM 394 C CB . ILE 25 25 ? A -0.288 -3.081 -0.877 1.000 1 A 86.580 1
ATOM 395 C CG1 . ILE 25 25 ? A -0.014 -2.371 0.467 1.000 1 A 86.580 1
ATOM 396 C CG2 . ILE 25 25 ? A 0.931 -3.961 -1.230 1.000 1 A 86.580 1
ATOM 397 C CD1 . ILE 25 25 ? A -0.313 -3.285 1.661 1.000 1 A 86.580 1
ATOM 398 H H . ILE 25 25 ? A -2.396 -1.621 -0.934 1.000 1 A 86.580 1
ATOM 399 H HA . ILE 25 25 ? A 0.218 -1.337 -2.036 1.000 1 A 86.580 1
ATOM 400 H HB . ILE 25 25 ? A -1.157 -3.729 -0.762 1.000 1 A 86.580 1
ATOM 401 H HG12 . ILE 25 25 ? A 1.026 -2.047 0.508 1.000 1 A 86.580 1
ATOM 402 H HG13 . ILE 25 25 ? A -0.635 -1.480 0.569 1.000 1 A 86.580 1
ATOM 403 H HG21 . ILE 25 25 ? A 0.715 -4.600 -2.086 1.000 1 A 86.580 1
ATOM 404 H HG22 . ILE 25 25 ? A 1.191 -4.613 -0.396 1.000 1 A 86.580 1
ATOM 405 H HG23 . ILE 25 25 ? A 1.791 -3.332 -1.460 1.000 1 A 86.580 1
ATOM 406 H HD11 . ILE 25 25 ? A -1.385 -3.472 1.723 1.000 1 A 86.580 1
ATOM 407 H HD12 . ILE 25 25 ? A 0.013 -2.804 2.583 1.000 1 A 86.580 1
ATOM 408 H HD13 . ILE 25 25 ? A 0.179 -4.252 1.553 1.000 1 A 86.580 1
ATOM 409 N N . ARG 26 26 ? A -1.741 -3.438 -3.706 1.000 1 A 86.050 1
ATOM 410 C CA . ARG 26 26 ? A -1.898 -4.117 -5.002 1.000 1 A 86.050 1
ATOM 411 C C . ARG 26 26 ? A -1.855 -3.129 -6.166 1.000 1 A 86.050 1
ATOM 412 O O . ARG 26 26 ? A -1.138 -3.370 -7.138 1.000 1 A 86.050 1
ATOM 413 C CB . ARG 26 26 ? A -3.199 -4.933 -4.999 1.000 1 A 86.050 1
ATOM 414 C CG . ARG 26 26 ? A -3.387 -5.715 -6.310 1.000 1 A 86.050 1
ATOM 415 C CD . ARG 26 26 ? A -4.704 -6.495 -6.315 1.000 1 A 86.050 1
ATOM 416 N NE . ARG 26 26 ? A -4.684 -7.620 -5.359 1.000 1 A 86.050 1
ATOM 417 C CZ . ARG 26 26 ? A -5.675 -8.461 -5.138 1.000 1 A 86.050 1
ATOM 418 N NH1 . ARG 26 26 ? A -6.837 -8.323 -5.715 1.000 1 A 86.050 1
ATOM 419 N NH2 . ARG 26 26 ? A -5.513 -9.471 -4.329 1.000 1 A 86.050 1
ATOM 420 H H . ARG 26 26 ? A -2.503 -3.459 -3.043 1.000 1 A 86.050 1
ATOM 421 H HA . ARG 26 26 ? A -1.052 -4.791 -5.142 1.000 1 A 86.050 1
ATOM 422 H HB2 . ARG 26 26 ? A -4.049 -4.265 -4.858 1.000 1 A 86.050 1
ATOM 423 H HB3 . ARG 26 26 ? A -3.169 -5.631 -4.162 1.000 1 A 86.050 1
ATOM 424 H HG2 . ARG 26 26 ? A -2.553 -6.400 -6.458 1.000 1 A 86.050 1
ATOM 425 H HG3 . ARG 26 26 ? A -3.415 -5.020 -7.149 1.000 1 A 86.050 1
ATOM 426 H HD2 . ARG 26 26 ? A -4.863 -6.882 -7.321 1.000 1 A 86.050 1
ATOM 427 H HD3 . ARG 26 26 ? A -5.518 -5.810 -6.076 1.000 1 A 86.050 1
ATOM 428 H HE . ARG 26 26 ? A -3.819 -7.771 -4.861 1.000 1 A 86.050 1
ATOM 429 H HH11 . ARG 26 26 ? A -6.984 -7.525 -6.316 1.000 1 A 86.050 1
ATOM 430 H HH12 . ARG 26 26 ? A -7.593 -8.974 -5.553 1.000 1 A 86.050 1
ATOM 431 H HH21 . ARG 26 26 ? A -4.608 -9.636 -3.912 1.000 1 A 86.050 1
ATOM 432 H HH22 . ARG 26 26 ? A -6.250 -10.153 -4.221 1.000 1 A 86.050 1
ATOM 433 N N . VAL 27 27 ? A -2.605 -2.034 -6.070 1.000 1 A 90.050 1
ATOM 434 C CA . VAL 27 27 ? A -2.660 -0.988 -7.099 1.000 1 A 90.050 1
ATOM 435 C C . VAL 27 27 ? A -1.285 -0.339 -7.253 1.000 1 A 90.050 1
ATOM 436 O O . VAL 27 27 ? A -0.759 -0.281 -8.362 1.000 1 A 90.050 1
ATOM 437 C CB . VAL 27 27 ? A -3.756 0.043 -6.758 1.000 1 A 90.050 1
ATOM 438 C CG1 . VAL 27 27 ? A -3.732 1.248 -7.706 1.000 1 A 90.050 1
ATOM 439 C CG2 . VAL 27 27 ? A -5.149 -0.592 -6.869 1.000 1 A 90.050 1
ATOM 440 H H . VAL 27 27 ? A -3.172 -1.919 -5.243 1.000 1 A 90.050 1
ATOM 441 H HA . VAL 27 27 ? A -2.908 -1.441 -8.059 1.000 1 A 90.050 1
ATOM 442 H HB . VAL 27 27 ? A -3.609 0.401 -5.739 1.000 1 A 90.050 1
ATOM 443 H HG11 . VAL 27 27 ? A -3.799 0.916 -8.742 1.000 1 A 90.050 1
ATOM 444 H HG12 . VAL 27 27 ? A -2.816 1.822 -7.568 1.000 1 A 90.050 1
ATOM 445 H HG13 . VAL 27 27 ? A -4.574 1.905 -7.486 1.000 1 A 90.050 1
ATOM 446 H HG21 . VAL 27 27 ? A -5.354 -0.875 -7.902 1.000 1 A 90.050 1
ATOM 447 H HG22 . VAL 27 27 ? A -5.904 0.122 -6.540 1.000 1 A 90.050 1
ATOM 448 H HG23 . VAL 27 27 ? A -5.229 -1.479 -6.240 1.000 1 A 90.050 1
ATOM 449 N N . THR 28 28 ? A -0.653 0.050 -6.145 1.000 1 A 91.980 1
ATOM 450 C CA . THR 28 28 ? A 0.670 0.693 -6.148 1.000 1 A 91.980 1
ATOM 451 C C . THR 28 28 ? A 1.748 -0.239 -6.704 1.000 1 A 91.980 1
ATOM 452 O O . THR 28 28 ? A 2.494 0.158 -7.595 1.000 1 A 91.980 1
ATOM 453 C CB . THR 28 28 ? A 1.056 1.176 -4.740 1.000 1 A 91.980 1
ATOM 454 O OG1 . THR 28 28 ? A 0.032 1.987 -4.214 1.000 1 A 91.980 1
ATOM 455 C CG2 . THR 28 28 ? A 2.323 2.028 -4.747 1.000 1 A 91.980 1
ATOM 456 H H . THR 28 28 ? A -1.131 -0.051 -5.261 1.000 1 A 91.980 1
ATOM 457 H HA . THR 28 28 ? A 0.628 1.567 -6.798 1.000 1 A 91.980 1
ATOM 458 H HB . THR 28 28 ? A 1.202 0.319 -4.083 1.000 1 A 91.980 1
ATOM 459 H HG1 . THR 28 28 ? A -0.664 1.403 -3.905 1.000 1 A 91.980 1
ATOM 460 H HG21 . THR 28 28 ? A 2.509 2.403 -3.741 1.000 1 A 91.980 1
ATOM 461 H HG22 . THR 28 28 ? A 3.181 1.433 -5.062 1.000 1 A 91.980 1
ATOM 462 H HG23 . THR 28 28 ? A 2.196 2.873 -5.424 1.000 1 A 91.980 1
ATOM 463 N N . GLY 29 29 ? A 1.804 -1.497 -6.254 1.000 1 A 89.740 1
ATOM 464 C CA . GLY 29 29 ? A 2.772 -2.482 -6.745 1.000 1 A 89.740 1
ATOM 465 C C . GLY 29 29 ? A 2.609 -2.787 -8.236 1.000 1 A 89.740 1
ATOM 466 O O . GLY 29 29 ? A 3.601 -2.872 -8.957 1.000 1 A 89.740 1
ATOM 467 H H . GLY 29 29 ? A 1.171 -1.783 -5.521 1.000 1 A 89.740 1
ATOM 468 H HA2 . GLY 29 29 ? A 3.783 -2.113 -6.578 1.000 1 A 89.740 1
ATOM 469 H HA3 . GLY 29 29 ? A 2.643 -3.412 -6.191 1.000 1 A 89.740 1
ATOM 470 N N . THR 30 30 ? A 1.366 -2.872 -8.723 1.000 1 A 90.390 1
ATOM 471 C CA . THR 30 30 ? A 1.076 -3.055 -10.157 1.000 1 A 90.390 1
ATOM 472 C C . THR 30 30 ? A 1.544 -1.853 -10.979 1.000 1 A 90.390 1
ATOM 473 O O . THR 30 30 ? A 2.177 -2.036 -12.018 1.000 1 A 90.390 1
ATOM 474 C CB . THR 30 30 ? A -0.425 -3.285 -10.397 1.000 1 A 90.390 1
ATOM 475 O OG1 . THR 30 30 ? A -0.872 -4.389 -9.642 1.000 1 A 90.390 1
ATOM 476 C CG2 . THR 30 30 ? A -0.751 -3.587 -11.860 1.000 1 A 90.390 1
ATOM 477 H H . THR 30 30 ? A 0.593 -2.776 -8.081 1.000 1 A 90.390 1
ATOM 478 H HA . THR 30 30 ? A 1.615 -3.930 -10.517 1.000 1 A 90.390 1
ATOM 479 H HB . THR 30 30 ? A -0.983 -2.402 -10.087 1.000 1 A 90.390 1
ATOM 480 H HG1 . THR 30 30 ? A -0.917 -4.097 -8.728 1.000 1 A 90.390 1
ATOM 481 H HG21 . THR 30 30 ? A -0.533 -2.721 -12.485 1.000 1 A 90.390 1
ATOM 482 H HG22 . THR 30 30 ? A -0.165 -4.439 -12.204 1.000 1 A 90.390 1
ATOM 483 H HG23 . THR 30 30 ? A -1.812 -3.819 -11.952 1.000 1 A 90.390 1
ATOM 484 N N . LEU 31 31 ? A 1.281 -0.629 -10.508 1.000 1 A 90.730 1
ATOM 485 C CA . LEU 31 31 ? A 1.724 0.600 -11.173 1.000 1 A 90.730 1
ATOM 486 C C . LEU 31 31 ? A 3.252 0.697 -11.234 1.000 1 A 90.730 1
ATOM 487 O O . LEU 31 31 ? A 3.799 1.009 -12.290 1.000 1 A 90.730 1
ATOM 488 C CB . LEU 31 31 ? A 1.143 1.824 -10.442 1.000 1 A 90.730 1
ATOM 489 C CG . LEU 31 31 ? A -0.367 2.041 -10.645 1.000 1 A 90.730 1
ATOM 490 C CD1 . LEU 31 31 ? A -0.850 3.139 -9.696 1.000 1 A 90.730 1
ATOM 491 C CD2 . LEU 31 31 ? A -0.698 2.461 -12.078 1.000 1 A 90.730 1
ATOM 492 H H . LEU 31 31 ? A 0.753 -0.539 -9.652 1.000 1 A 90.730 1
ATOM 493 H HA . LEU 31 31 ? A 1.376 0.593 -12.206 1.000 1 A 90.730 1
ATOM 494 H HB2 . LEU 31 31 ? A 1.346 1.722 -9.376 1.000 1 A 90.730 1
ATOM 495 H HB3 . LEU 31 31 ? A 1.663 2.717 -10.787 1.000 1 A 90.730 1
ATOM 496 H HG . LEU 31 31 ? A -0.914 1.124 -10.428 1.000 1 A 90.730 1
ATOM 497 H HD11 . LEU 31 31 ? A -1.923 3.285 -9.818 1.000 1 A 90.730 1
ATOM 498 H HD12 . LEU 31 31 ? A -0.655 2.843 -8.665 1.000 1 A 90.730 1
ATOM 499 H HD13 . LEU 31 31 ? A -0.331 4.074 -9.907 1.000 1 A 90.730 1
ATOM 500 H HD21 . LEU 31 31 ? A -1.767 2.660 -12.163 1.000 1 A 90.730 1
ATOM 501 H HD22 . LEU 31 31 ? A -0.144 3.362 -12.343 1.000 1 A 90.730 1
ATOM 502 H HD23 . LEU 31 31 ? A -0.446 1.662 -12.775 1.000 1 A 90.730 1
ATOM 503 N N . VAL 32 32 ? A 3.944 0.384 -10.134 1.000 1 A 90.190 1
ATOM 504 C CA . VAL 32 32 ? A 5.414 0.369 -10.086 1.000 1 A 90.190 1
ATOM 505 C C . VAL 32 32 ? A 5.976 -0.688 -11.034 1.000 1 A 90.190 1
ATOM 506 O O . VAL 32 32 ? A 6.878 -0.386 -11.810 1.000 1 A 90.190 1
ATOM 507 C CB . VAL 32 32 ? A 5.920 0.147 -8.647 1.000 1 A 90.190 1
ATOM 508 C CG1 . VAL 32 32 ? A 7.441 -0.060 -8.584 1.000 1 A 90.190 1
ATOM 509 C CG2 . VAL 32 32 ? A 5.596 1.361 -7.766 1.000 1 A 90.190 1
ATOM 510 H H . VAL 32 32 ? A 3.429 0.166 -9.292 1.000 1 A 90.190 1
ATOM 511 H HA . VAL 32 32 ? A 5.786 1.334 -10.430 1.000 1 A 90.190 1
ATOM 512 H HB . VAL 32 32 ? A 5.433 -0.733 -8.227 1.000 1 A 90.190 1
ATOM 513 H HG11 . VAL 32 32 ? A 7.763 -0.117 -7.544 1.000 1 A 90.190 1
ATOM 514 H HG12 . VAL 32 32 ? A 7.954 0.768 -9.072 1.000 1 A 90.190 1
ATOM 515 H HG13 . VAL 32 32 ? A 7.720 -0.993 -9.073 1.000 1 A 90.190 1
ATOM 516 H HG21 . VAL 32 32 ? A 4.534 1.600 -7.809 1.000 1 A 90.190 1
ATOM 517 H HG22 . VAL 32 32 ? A 6.159 2.230 -8.104 1.000 1 A 90.190 1
ATOM 518 H HG23 . VAL 32 32 ? A 5.860 1.144 -6.731 1.000 1 A 90.190 1
ATOM 519 N N . PHE 33 33 ? A 5.430 -1.905 -11.031 1.000 1 A 88.200 1
ATOM 520 C CA . PHE 33 33 ? A 5.881 -2.971 -11.927 1.000 1 A 88.200 1
ATOM 521 C C . PHE 33 33 ? A 5.699 -2.595 -13.402 1.000 1 A 88.200 1
ATOM 522 O O . PHE 33 33 ? A 6.615 -2.754 -14.207 1.000 1 A 88.200 1
ATOM 523 C CB . PHE 33 33 ? A 5.118 -4.254 -11.590 1.000 1 A 88.200 1
ATOM 524 C CG . PHE 33 33 ? A 5.595 -5.459 -12.370 1.000 1 A 88.200 1
ATOM 525 C CD1 . PHE 33 33 ? A 4.852 -5.944 -13.462 1.000 1 A 88.200 1
ATOM 526 C CD2 . PHE 33 33 ? A 6.788 -6.101 -11.994 1.000 1 A 88.200 1
ATOM 527 C CE1 . PHE 33 33 ? A 5.289 -7.088 -14.152 1.000 1 A 88.200 1
ATOM 528 C CE2 . PHE 33 33 ? A 7.239 -7.228 -12.702 1.000 1 A 88.200 1
ATOM 529 C CZ . PHE 33 33 ? A 6.487 -7.724 -13.780 1.000 1 A 88.200 1
ATOM 530 H H . PHE 33 33 ? A 4.695 -2.112 -10.370 1.000 1 A 88.200 1
ATOM 531 H HA . PHE 33 33 ? A 6.945 -3.142 -11.765 1.000 1 A 88.200 1
ATOM 532 H HB2 . PHE 33 33 ? A 4.054 -4.101 -11.771 1.000 1 A 88.200 1
ATOM 533 H HB3 . PHE 33 33 ? A 5.242 -4.468 -10.528 1.000 1 A 88.200 1
ATOM 534 H HD1 . PHE 33 33 ? A 3.939 -5.450 -13.761 1.000 1 A 88.200 1
ATOM 535 H HD2 . PHE 33 33 ? A 7.365 -5.725 -11.161 1.000 1 A 88.200 1
ATOM 536 H HE1 . PHE 33 33 ? A 4.709 -7.471 -14.979 1.000 1 A 88.200 1
ATOM 537 H HE2 . PHE 33 33 ? A 8.161 -7.712 -12.416 1.000 1 A 88.200 1
ATOM 538 H HZ . PHE 33 33 ? A 6.830 -8.592 -14.322 1.000 1 A 88.200 1
ATOM 539 N N . HIS 34 34 ? A 4.541 -2.031 -13.750 1.000 1 A 86.980 1
ATOM 540 C CA . HIS 34 34 ? A 4.284 -1.522 -15.091 1.000 1 A 86.980 1
ATOM 541 C C . HIS 34 34 ? A 5.263 -0.402 -15.467 1.000 1 A 86.980 1
ATOM 542 O O . HIS 34 34 ? A 5.834 -0.438 -16.553 1.000 1 A 86.980 1
ATOM 543 C CB . HIS 34 34 ? A 2.829 -1.055 -15.163 1.000 1 A 86.980 1
ATOM 544 C CG . HIS 34 34 ? A 2.396 -0.672 -16.551 1.000 1 A 86.980 1
ATOM 545 N ND1 . HIS 34 34 ? A 2.004 -1.539 -17.542 1.000 1 A 86.980 1
ATOM 546 C CD2 . HIS 34 34 ? A 2.274 0.597 -17.051 1.000 1 A 86.980 1
ATOM 547 C CE1 . HIS 34 34 ? A 1.632 -0.808 -18.605 1.000 1 A 86.980 1
ATOM 548 N NE2 . HIS 34 34 ? A 1.779 0.501 -18.353 1.000 1 A 86.980 1
ATOM 549 H H . HIS 34 34 ? A 3.822 -1.923 -13.049 1.000 1 A 86.980 1
ATOM 550 H HA . HIS 34 34 ? A 4.426 -2.333 -15.806 1.000 1 A 86.980 1
ATOM 551 H HB2 . HIS 34 34 ? A 2.685 -0.204 -14.497 1.000 1 A 86.980 1
ATOM 552 H HB3 . HIS 34 34 ? A 2.180 -1.861 -14.819 1.000 1 A 86.980 1
ATOM 553 H HD1 . HIS 34 34 ? A 2.041 -2.548 -17.512 1.000 1 A 86.980 1
ATOM 554 H HD2 . HIS 34 34 ? A 2.496 1.512 -16.523 1.000 1 A 86.980 1
ATOM 555 H HE1 . HIS 34 34 ? A 1.310 -1.213 -19.553 1.000 1 A 86.980 1
ATOM 556 N N . ALA 35 35 ? A 5.529 0.548 -14.565 1.000 1 A 87.800 1
ATOM 557 C CA . ALA 35 35 ? A 6.505 1.609 -14.799 1.000 1 A 87.800 1
ATOM 558 C C . ALA 35 35 ? A 7.913 1.048 -15.050 1.000 1 A 87.800 1
ATOM 559 O O . ALA 35 35 ? A 8.556 1.449 -16.012 1.000 1 A 87.800 1
ATOM 560 C CB . ALA 35 35 ? A 6.483 2.582 -13.613 1.000 1 A 87.800 1
ATOM 561 H H . ALA 35 35 ? A 5.033 0.544 -13.685 1.000 1 A 87.800 1
ATOM 562 H HA . ALA 35 35 ? A 6.211 2.156 -15.695 1.000 1 A 87.800 1
ATOM 563 H HB1 . ALA 35 35 ? A 7.172 3.404 -13.804 1.000 1 A 87.800 1
ATOM 564 H HB2 . ALA 35 35 ? A 6.784 2.072 -12.699 1.000 1 A 87.800 1
ATOM 565 H HB3 . ALA 35 35 ? A 5.478 2.984 -13.484 1.000 1 A 87.800 1
ATOM 566 N N . VAL 36 36 ? A 8.369 0.080 -14.250 1.000 1 A 87.070 1
ATOM 567 C CA . VAL 36 36 ? A 9.691 -0.549 -14.415 1.000 1 A 87.070 1
ATOM 568 C C . VAL 36 36 ? A 9.801 -1.304 -15.740 1.000 1 A 87.070 1
ATOM 569 O O . VAL 36 36 ? A 10.825 -1.199 -16.403 1.000 1 A 87.070 1
ATOM 570 C CB . VAL 36 36 ? A 10.014 -1.468 -13.222 1.000 1 A 87.070 1
ATOM 571 C CG1 . VAL 36 36 ? A 11.308 -2.270 -13.422 1.000 1 A 87.070 1
ATOM 572 C CG2 . VAL 36 36 ? A 10.200 -0.644 -11.940 1.000 1 A 87.070 1
ATOM 573 H H . VAL 36 36 ? A 7.791 -0.209 -13.473 1.000 1 A 87.070 1
ATOM 574 H HA . VAL 36 36 ? A 10.449 0.234 -14.448 1.000 1 A 87.070 1
ATOM 575 H HB . VAL 36 36 ? A 9.191 -2.168 -13.075 1.000 1 A 87.070 1
ATOM 576 H HG11 . VAL 36 36 ? A 11.549 -2.821 -12.513 1.000 1 A 87.070 1
ATOM 577 H HG12 . VAL 36 36 ? A 12.131 -1.598 -13.665 1.000 1 A 87.070 1
ATOM 578 H HG13 . VAL 36 36 ? A 11.185 -2.989 -14.231 1.000 1 A 87.070 1
ATOM 579 H HG21 . VAL 36 36 ? A 10.323 -1.312 -11.088 1.000 1 A 87.070 1
ATOM 580 H HG22 . VAL 36 36 ? A 9.335 -0.007 -11.758 1.000 1 A 87.070 1
ATOM 581 H HG23 . VAL 36 36 ? A 11.082 -0.009 -12.030 1.000 1 A 87.070 1
ATOM 582 N N . LEU 37 37 ? A 8.759 -2.028 -16.159 1.000 1 A 83.080 1
ATOM 583 C CA . LEU 37 37 ? A 8.768 -2.733 -17.446 1.000 1 A 83.080 1
ATOM 584 C C . LEU 37 37 ? A 8.670 -1.793 -18.658 1.000 1 A 83.080 1
ATOM 585 O O . LEU 37 37 ? A 9.201 -2.112 -19.721 1.000 1 A 83.080 1
ATOM 586 C CB . LEU 37 37 ? A 7.609 -3.739 -17.489 1.000 1 A 83.080 1
ATOM 587 C CG . LEU 37 37 ? A 7.745 -4.969 -16.575 1.000 1 A 83.080 1
ATOM 588 C CD1 . LEU 37 37 ? A 6.533 -5.861 -16.841 1.000 1 A 83.080 1
ATOM 589 C CD2 . LEU 37 37 ? A 9.005 -5.792 -16.854 1.000 1 A 83.080 1
ATOM 590 H H . LEU 37 37 ? A 7.947 -2.103 -15.563 1.000 1 A 83.080 1
ATOM 591 H HA . LEU 37 37 ? A 9.715 -3.260 -17.558 1.000 1 A 83.080 1
ATOM 592 H HB2 . LEU 37 37 ? A 6.685 -3.217 -17.244 1.000 1 A 83.080 1
ATOM 593 H HB3 . LEU 37 37 ? A 7.522 -4.093 -18.516 1.000 1 A 83.080 1
ATOM 594 H HG . LEU 37 37 ? A 7.750 -4.671 -15.527 1.000 1 A 83.080 1
ATOM 595 H HD11 . LEU 37 37 ? A 6.425 -6.045 -17.910 1.000 1 A 83.080 1
ATOM 596 H HD12 . LEU 37 37 ? A 6.671 -6.822 -16.345 1.000 1 A 83.080 1
ATOM 597 H HD13 . LEU 37 37 ? A 5.635 -5.374 -16.461 1.000 1 A 83.080 1
ATOM 598 H HD21 . LEU 37 37 ? A 8.998 -6.696 -16.245 1.000 1 A 83.080 1
ATOM 599 H HD22 . LEU 37 37 ? A 9.890 -5.214 -16.586 1.000 1 A 83.080 1
ATOM 600 H HD23 . LEU 37 37 ? A 9.053 -6.060 -17.909 1.000 1 A 83.080 1
ATOM 601 N N . HIS 38 38 ? A 7.971 -0.661 -18.526 1.000 1 A 76.840 1
ATOM 602 C CA . HIS 38 38 ? A 7.821 0.328 -19.599 1.000 1 A 76.840 1
ATOM 603 C C . HIS 38 38 ? A 8.983 1.319 -19.683 1.000 1 A 76.840 1
ATOM 604 O O . HIS 38 38 ? A 9.180 1.935 -20.736 1.000 1 A 76.840 1
ATOM 605 C CB . HIS 38 38 ? A 6.484 1.061 -19.461 1.000 1 A 76.840 1
ATOM 606 C CG . HIS 38 38 ? A 5.348 0.266 -20.043 1.000 1 A 76.840 1
ATOM 607 N ND1 . HIS 38 38 ? A 4.777 0.478 -21.275 1.000 1 A 76.840 1
ATOM 608 C CD2 . HIS 38 38 ? A 4.766 -0.858 -19.522 1.000 1 A 76.840 1
ATOM 609 C CE1 . HIS 38 38 ? A 3.865 -0.484 -21.485 1.000 1 A 76.840 1
ATOM 610 N NE2 . HIS 38 38 ? A 3.838 -1.338 -20.454 1.000 1 A 76.840 1
ATOM 611 H H . HIS 38 38 ? A 7.505 -0.487 -17.647 1.000 1 A 76.840 1
ATOM 612 H HA . HIS 38 38 ? A 7.811 -0.197 -20.555 1.000 1 A 76.840 1
ATOM 613 H HB2 . HIS 38 38 ? A 6.284 1.298 -18.416 1.000 1 A 76.840 1
ATOM 614 H HB3 . HIS 38 38 ? A 6.537 2.005 -20.004 1.000 1 A 76.840 1
ATOM 615 H HD1 . HIS 38 38 ? A 4.989 1.244 -21.897 1.000 1 A 76.840 1
ATOM 616 H HD2 . HIS 38 38 ? A 5.022 -1.338 -18.589 1.000 1 A 76.840 1
ATOM 617 H HE1 . HIS 38 38 ? A 3.247 -0.572 -22.366 1.000 1 A 76.840 1
ATOM 618 N N . ILE 39 39 ? A 9.783 1.456 -18.625 1.000 1 A 71.050 1
ATOM 619 C CA . ILE 39 39 ? A 11.126 2.010 -18.750 1.000 1 A 71.050 1
ATOM 620 C C . ILE 39 39 ? A 11.901 0.985 -19.575 1.000 1 A 71.050 1
ATOM 621 O O . ILE 39 39 ? A 12.345 -0.038 -19.059 1.000 1 A 71.050 1
ATOM 622 C CB . ILE 39 39 ? A 11.758 2.302 -17.368 1.000 1 A 71.050 1
ATOM 623 C CG1 . ILE 39 39 ? A 10.977 3.404 -16.614 1.000 1 A 71.050 1
ATOM 624 C CG2 . ILE 39 39 ? A 13.215 2.779 -17.537 1.000 1 A 71.050 1
ATOM 625 C CD1 . ILE 39 39 ? A 11.216 3.389 -15.098 1.000 1 A 71.050 1
ATOM 626 H H . ILE 39 39 ? A 9.547 0.977 -17.767 1.000 1 A 71.050 1
ATOM 627 H HA . ILE 39 39 ? A 11.083 2.947 -19.306 1.000 1 A 71.050 1
ATOM 628 H HB . ILE 39 39 ? A 11.748 1.386 -16.778 1.000 1 A 71.050 1
ATOM 629 H HG12 . ILE 39 39 ? A 9.906 3.308 -16.791 1.000 1 A 71.050 1
ATOM 630 H HG13 . ILE 39 39 ? A 11.262 4.382 -17.004 1.000 1 A 71.050 1
ATOM 631 H HG21 . ILE 39 39 ? A 13.261 3.655 -18.184 1.000 1 A 71.050 1
ATOM 632 H HG22 . ILE 39 39 ? A 13.820 1.985 -17.974 1.000 1 A 71.050 1
ATOM 633 H HG23 . ILE 39 39 ? A 13.654 3.022 -16.569 1.000 1 A 71.050 1
ATOM 634 H HD11 . ILE 39 39 ? A 12.261 3.600 -14.873 1.000 1 A 71.050 1
ATOM 635 H HD12 . ILE 39 39 ? A 10.594 4.151 -14.629 1.000 1 A 71.050 1
ATOM 636 H HD13 . ILE 39 39 ? A 10.946 2.415 -14.688 1.000 1 A 71.050 1
ATOM 637 N N . LYS 40 40 ? A 12.028 1.237 -20.887 1.000 1 A 62.910 1
ATOM 638 C CA . LYS 40 40 ? A 13.022 0.546 -21.714 1.000 1 A 62.910 1
ATOM 639 C C . LYS 40 40 ? A 14.318 0.530 -20.899 1.000 1 A 62.910 1
ATOM 640 O O . LYS 40 40 ? A 14.741 1.624 -20.514 1.000 1 A 62.910 1
ATOM 641 C CB . LYS 40 40 ? A 13.276 1.298 -23.033 1.000 1 A 62.910 1
ATOM 642 C CG . LYS 40 40 ? A 12.373 0.821 -24.173 1.000 1 A 62.910 1
ATOM 643 C CD . LYS 40 40 ? A 12.668 1.633 -25.441 1.000 1 A 62.910 1
ATOM 644 C CE . LYS 40 40 ? A 11.898 1.052 -26.630 1.000 1 A 62.910 1
ATOM 645 N NZ . LYS 40 40 ? A 12.046 1.909 -27.831 1.000 1 A 62.910 1
ATOM 646 H H . LYS 40 40 ? A 11.525 2.030 -21.258 1.000 1 A 62.910 1
ATOM 647 H HA . LYS 40 40 ? A 12.688 -0.474 -21.901 1.000 1 A 62.910 1
ATOM 648 H HB2 . LYS 40 40 ? A 14.309 1.126 -23.336 1.000 1 A 62.910 1
ATOM 649 H HB3 . LYS 40 40 ? A 13.151 2.369 -22.874 1.000 1 A 62.910 1
ATOM 650 H HG2 . LYS 40 40 ? A 11.327 0.948 -23.892 1.000 1 A 62.910 1
ATOM 651 H HG3 . LYS 40 40 ? A 12.567 -0.235 -24.362 1.000 1 A 62.910 1
ATOM 652 H HD2 . LYS 40 40 ? A 12.370 2.667 -25.269 1.000 1 A 62.910 1
ATOM 653 H HD3 . LYS 40 40 ? A 13.737 1.600 -25.650 1.000 1 A 62.910 1
ATOM 654 H HE2 . LYS 40 40 ? A 12.276 0.048 -26.826 1.000 1 A 62.910 1
ATOM 655 H HE3 . LYS 40 40 ? A 10.848 0.966 -26.352 1.000 1 A 62.910 1
ATOM 656 H HZ1 . LYS 40 40 ? A 11.675 2.831 -27.649 1.000 1 A 62.910 1
ATOM 657 H HZ2 . LYS 40 40 ? A 13.023 2.001 -28.068 1.000 1 A 62.910 1
ATOM 658 H HZ3 . LYS 40 40 ? A 11.557 1.505 -28.617 1.000 1 A 62.910 1
ATOM 659 N N . PRO 41 41 ? A 14.926 -0.636 -20.610 1.000 1 A 61.070 1
ATOM 660 C CA . PRO 41 41 ? A 16.291 -0.623 -20.122 1.000 1 A 61.070 1
ATOM 661 C C . PRO 41 41 ? A 17.088 0.147 -21.175 1.000 1 A 61.070 1
ATOM 662 O O . PRO 41 41 ? A 17.100 -0.238 -22.347 1.000 1 A 61.070 1
ATOM 663 C CB . PRO 41 41 ? A 16.704 -2.088 -19.965 1.000 1 A 61.070 1
ATOM 664 C CG . PRO 41 41 ? A 15.774 -2.840 -20.918 1.000 1 A 61.070 1
ATOM 665 C CD . PRO 41 41 ? A 14.503 -1.990 -20.939 1.000 1 A 61.070 1
ATOM 666 H HA . PRO 41 41 ? A 16.354 -0.115 -19.160 1.000 1 A 61.070 1
ATOM 667 H HB2 . PRO 41 41 ? A 16.503 -2.408 -18.942 1.000 1 A 61.070 1
ATOM 668 H HB3 . PRO 41 41 ? A 17.754 -2.245 -20.213 1.000 1 A 61.070 1
ATOM 669 H HG2 . PRO 41 41 ? A 15.576 -3.854 -20.573 1.000 1 A 61.070 1
ATOM 670 H HG3 . PRO 41 41 ? A 16.216 -2.857 -21.915 1.000 1 A 61.070 1
ATOM 671 H HD2 . PRO 41 41 ? A 13.805 -2.342 -20.180 1.000 1 A 61.070 1
ATOM 672 H HD3 . PRO 41 41 ? A 14.050 -2.047 -21.929 1.000 1 A 61.070 1
ATOM 673 N N . ALA 42 42 ? A 17.574 1.319 -20.775 1.000 1 A 60.470 1
ATOM 674 C CA . ALA 42 42 ? A 18.445 2.138 -21.596 1.000 1 A 60.470 1
ATOM 675 C C . ALA 42 42 ? A 19.778 1.410 -21.777 1.000 1 A 60.470 1
ATOM 676 O O . ALA 42 42 ? A 20.245 0.800 -20.786 1.000 1 A 60.470 1
ATOM 677 C CB . ALA 42 42 ? A 18.590 3.522 -20.951 1.000 1 A 60.470 1
ATOM 678 O OXT . ALA 42 42 ? A 20.282 1.493 -22.916 1.000 1 A 60.470 1
ATOM 679 H H . ALA 42 42 ? A 17.492 1.567 -19.799 1.000 1 A 60.470 1
ATOM 680 H HA . ALA 42 42 ? A 18.011 2.246 -22.590 1.000 1 A 60.470 1
ATOM 681 H HB1 . ALA 42 42 ? A 17.611 3.992 -20.854 1.000 1 A 60.470 1
ATOM 682 H HB2 . ALA 42 42 ? A 19.053 3.422 -19.970 1.000 1 A 60.470 1
ATOM 683 H HB3 . ALA 42 42 ? A 19.231 4.141 -21.580 1.000 1 A 60.470 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 76.474

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 48.280
2 1 A 2 HIS 2 66.970
3 1 A 3 GLN 2 64.910
4 1 A 4 MET 2 58.800
5 1 A 5 ASN 2 73.730
6 1 A 6 LEU 2 68.770
7 1 A 7 LEU 2 70.500
8 1 A 8 ASP 2 72.100
9 1 A 9 GLN 2 70.890
10 1 A 10 ASP 2 71.980
11 1 A 11 PHE 2 71.300
12 1 A 12 ILE 2 70.890
13 1 A 13 ASP 2 71.480
14 1 A 14 VAL 2 70.360
15 1 A 15 SER 2 65.710
16 1 A 16 MET 2 70.680
17 1 A 17 THR 2 76.140
18 1 A 18 ILE 2 78.050
19 1 A 19 PRO 2 70.540
20 1 A 20 GLY 2 80.190
21 1 A 21 LEU 2 83.700
22 1 A 22 ARG 2 80.820
23 1 A 23 GLU 2 86.330
24 1 A 24 LEU 2 87.590
25 1 A 25 ILE 2 86.580
26 1 A 26 ARG 2 86.050
27 1 A 27 VAL 2 90.050
28 1 A 28 THR 2 91.980
29 1 A 29 GLY 2 89.740
30 1 A 30 THR 2 90.390
31 1 A 31 LEU 2 90.730
32 1 A 32 VAL 2 90.190
33 1 A 33 PHE 2 88.200
34 1 A 34 HIS 2 86.980
35 1 A 35 ALA 2 87.800
36 1 A 36 VAL 2 87.070
37 1 A 37 LEU 2 83.080
38 1 A 38 HIS 2 76.840
39 1 A 39 ILE 2 71.050
40 1 A 40 LYS 2 62.910
41 1 A 41 PRO 2 61.070
42 1 A 42 ALA 2 60.470

_database_2.database_id ModelArchive
_database_2.database_code ma-asfv-asfvg-013
_database_2.pdbx_DOI 10.5452/ma-asfv-asfvg-013

_pdbx_database_status.entry_id ma-asfv-asfvg-013
_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'