data_ma-asfv-asfvg-012
_entry.id ma-asfv-asfvg-012
_entry.ma_collection_id ma-asfv-asfvg

_struct.entry_id ma-asfv-asfvg-012
_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 00120'

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

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

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

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

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

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

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

loop_
_chem_comp.id
_chem_comp.type
_chem_comp.name
_chem_comp.formula
_chem_comp.formula_weight
_chem_comp.ma_provenance
ALA 'L-peptide linking' ALANINE 'C3 H7 N O2' 89.094 'CCD Core'
ARG 'L-peptide linking' ARGININE 'C6 H15 N4 O2 1' 175.212 'CCD Core'
ASN 'L-peptide linking' ASPARAGINE 'C4 H8 N2 O3' 132.119 'CCD Core'
CYS 'L-peptide linking' CYSTEINE 'C3 H7 N O2 S' 121.154 'CCD Core'
GLN 'L-peptide linking' GLUTAMINE 'C5 H10 N2 O3' 146.146 'CCD Core'
GLU 'L-peptide linking' 'GLUTAMIC ACID' 'C5 H9 N O4' 147.130 'CCD Core'
GLY 'peptide linking' GLYCINE 'C2 H5 N O2' 75.067 'CCD Core'
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 00120 protein' 10420.070 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 . A0A481U4W7_ASF A0A481U4W7 . 1 74 10497 'African swine fever virus (ASFV)' 2019-06-05 02B9C0293FC215A3
1 NCBI . CAD2068347.1 1886136872 . 1 74 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
;MFYREKVFLAYECTWFRTLKKNKRNYLILAVIFFQLATSQVTKELHCSFILRKRLNFGQKKSYLIKNPHR
SFFS
;
;MFYREKVFLAYECTWFRTLKKNKRNYLILAVIFFQLATSQVTKELHCSFILRKRLNFGQKKSYLIKNPHR
SFFS
;

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 TYR .
1 4 ARG .
1 5 GLU .
1 6 LYS .
1 7 VAL .
1 8 PHE .
1 9 LEU .
1 10 ALA .
1 11 TYR .
1 12 GLU .
1 13 CYS .
1 14 THR .
1 15 TRP .
1 16 PHE .
1 17 ARG .
1 18 THR .
1 19 LEU .
1 20 LYS .
1 21 LYS .
1 22 ASN .
1 23 LYS .
1 24 ARG .
1 25 ASN .
1 26 TYR .
1 27 LEU .
1 28 ILE .
1 29 LEU .
1 30 ALA .
1 31 VAL .
1 32 ILE .
1 33 PHE .
1 34 PHE .
1 35 GLN .
1 36 LEU .
1 37 ALA .
1 38 THR .
1 39 SER .
1 40 GLN .
1 41 VAL .
1 42 THR .
1 43 LYS .
1 44 GLU .
1 45 LEU .
1 46 HIS .
1 47 CYS .
1 48 SER .
1 49 PHE .
1 50 ILE .
1 51 LEU .
1 52 ARG .
1 53 LYS .
1 54 ARG .
1 55 LEU .
1 56 ASN .
1 57 PHE .
1 58 GLY .
1 59 GLN .
1 60 LYS .
1 61 LYS .
1 62 SER .
1 63 TYR .
1 64 LEU .
1 65 ILE .
1 66 LYS .
1 67 ASN .
1 68 PRO .
1 69 HIS .
1 70 ARG .
1 71 SER .
1 72 PHE .
1 73 PHE .
1 74 SER .

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 TYR 3 3 TYR TYR A .
A 1 4 ARG 4 4 ARG ARG A .
A 1 5 GLU 5 5 GLU GLU A .
A 1 6 LYS 6 6 LYS LYS A .
A 1 7 VAL 7 7 VAL VAL A .
A 1 8 PHE 8 8 PHE PHE A .
A 1 9 LEU 9 9 LEU LEU A .
A 1 10 ALA 10 10 ALA ALA A .
A 1 11 TYR 11 11 TYR TYR A .
A 1 12 GLU 12 12 GLU GLU A .
A 1 13 CYS 13 13 CYS CYS A .
A 1 14 THR 14 14 THR THR A .
A 1 15 TRP 15 15 TRP TRP A .
A 1 16 PHE 16 16 PHE PHE A .
A 1 17 ARG 17 17 ARG ARG A .
A 1 18 THR 18 18 THR THR A .
A 1 19 LEU 19 19 LEU LEU A .
A 1 20 LYS 20 20 LYS LYS A .
A 1 21 LYS 21 21 LYS LYS A .
A 1 22 ASN 22 22 ASN ASN A .
A 1 23 LYS 23 23 LYS LYS A .
A 1 24 ARG 24 24 ARG ARG A .
A 1 25 ASN 25 25 ASN ASN A .
A 1 26 TYR 26 26 TYR TYR A .
A 1 27 LEU 27 27 LEU LEU A .
A 1 28 ILE 28 28 ILE ILE A .
A 1 29 LEU 29 29 LEU LEU A .
A 1 30 ALA 30 30 ALA ALA A .
A 1 31 VAL 31 31 VAL VAL A .
A 1 32 ILE 32 32 ILE ILE A .
A 1 33 PHE 33 33 PHE PHE A .
A 1 34 PHE 34 34 PHE PHE A .
A 1 35 GLN 35 35 GLN GLN A .
A 1 36 LEU 36 36 LEU LEU A .
A 1 37 ALA 37 37 ALA ALA A .
A 1 38 THR 38 38 THR THR A .
A 1 39 SER 39 39 SER SER A .
A 1 40 GLN 40 40 GLN GLN A .
A 1 41 VAL 41 41 VAL VAL A .
A 1 42 THR 42 42 THR THR A .
A 1 43 LYS 43 43 LYS LYS A .
A 1 44 GLU 44 44 GLU GLU A .
A 1 45 LEU 45 45 LEU LEU A .
A 1 46 HIS 46 46 HIS HIS A .
A 1 47 CYS 47 47 CYS CYS A .
A 1 48 SER 48 48 SER SER A .
A 1 49 PHE 49 49 PHE PHE A .
A 1 50 ILE 50 50 ILE ILE A .
A 1 51 LEU 51 51 LEU LEU A .
A 1 52 ARG 52 52 ARG ARG A .
A 1 53 LYS 53 53 LYS LYS A .
A 1 54 ARG 54 54 ARG ARG A .
A 1 55 LEU 55 55 LEU LEU A .
A 1 56 ASN 56 56 ASN ASN A .
A 1 57 PHE 57 57 PHE PHE A .
A 1 58 GLY 58 58 GLY GLY A .
A 1 59 GLN 59 59 GLN GLN A .
A 1 60 LYS 60 60 LYS LYS A .
A 1 61 LYS 61 61 LYS LYS A .
A 1 62 SER 62 62 SER SER A .
A 1 63 TYR 63 63 TYR TYR A .
A 1 64 LEU 64 64 LEU LEU A .
A 1 65 ILE 65 65 ILE ILE A .
A 1 66 LYS 66 66 LYS LYS A .
A 1 67 ASN 67 67 ASN ASN A .
A 1 68 PRO 68 68 PRO PRO A .
A 1 69 HIS 69 69 HIS HIS A .
A 1 70 ARG 70 70 ARG ARG A .
A 1 71 SER 71 71 SER SER A .
A 1 72 PHE 72 72 PHE PHE A .
A 1 73 PHE 73 73 PHE PHE A .
A 1 74 SER 74 74 SER SER A .

loop_
_ma_data.id
_ma_data.name
_ma_data.content_type
_ma_data.content_type_other_details
1 'ASFV-G ASFV G ACD 00120 protein' target .
2 'Model 1 (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 1 (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 33.535 11.035 -30.882 1.000 1 A 58.640 1
ATOM 2 C CA . MET 1 1 ? A 33.035 11.718 -29.666 1.000 1 A 58.640 1
ATOM 3 C C . MET 1 1 ? A 31.536 11.477 -29.423 1.000 1 A 58.640 1
ATOM 4 O O . MET 1 1 ? A 31.179 11.121 -28.311 1.000 1 A 58.640 1
ATOM 5 C CB . MET 1 1 ? A 33.440 13.196 -29.686 1.000 1 A 58.640 1
ATOM 6 C CG . MET 1 1 ? A 33.707 13.734 -28.279 1.000 1 A 58.640 1
ATOM 7 S SD . MET 1 1 ? A 34.742 15.217 -28.321 1.000 1 A 58.640 1
ATOM 8 C CE . MET 1 1 ? A 34.624 15.750 -26.592 1.000 1 A 58.640 1
ATOM 9 H H . MET 1 1 ? A 34.536 11.150 -30.942 1.000 1 A 58.640 1
ATOM 10 H H2 . MET 1 1 ? A 33.323 10.048 -30.853 1.000 1 A 58.640 1
ATOM 11 H HA . MET 1 1 ? A 33.543 11.272 -28.811 1.000 1 A 58.640 1
ATOM 12 H HB2 . MET 1 1 ? A 34.367 13.294 -30.250 1.000 1 A 58.640 1
ATOM 13 H HB3 . MET 1 1 ? A 32.677 13.799 -30.179 1.000 1 A 58.640 1
ATOM 14 H HG2 . MET 1 1 ? A 32.758 13.967 -27.798 1.000 1 A 58.640 1
ATOM 15 H HG3 . MET 1 1 ? A 34.225 12.979 -27.687 1.000 1 A 58.640 1
ATOM 16 H HE1 . MET 1 1 ? A 35.208 16.660 -26.454 1.000 1 A 58.640 1
ATOM 17 H HE2 . MET 1 1 ? A 33.583 15.957 -26.341 1.000 1 A 58.640 1
ATOM 18 H HE3 . MET 1 1 ? A 35.011 14.972 -25.935 1.000 1 A 58.640 1
ATOM 19 H H3 . MET 1 1 ? A 33.128 11.448 -31.710 1.000 1 A 58.640 1
ATOM 20 N N . PHE 2 2 ? A 30.685 11.507 -30.457 1.000 1 A 63.700 1
ATOM 21 C CA . PHE 2 2 ? A 29.217 11.347 -30.369 1.000 1 A 63.700 1
ATOM 22 C C . PHE 2 2 ? A 28.646 10.052 -29.749 1.000 1 A 63.700 1
ATOM 23 O O . PHE 2 2 ? A 27.504 10.046 -29.294 1.000 1 A 63.700 1
ATOM 24 C CB . PHE 2 2 ? A 28.672 11.481 -31.799 1.000 1 A 63.700 1
ATOM 25 C CG . PHE 2 2 ? A 28.772 12.890 -32.341 1.000 1 A 63.700 1
ATOM 26 C CD1 . PHE 2 2 ? A 27.823 13.842 -31.928 1.000 1 A 63.700 1
ATOM 27 C CD2 . PHE 2 2 ? A 29.811 13.267 -33.216 1.000 1 A 63.700 1
ATOM 28 C CE1 . PHE 2 2 ? A 27.902 15.164 -32.393 1.000 1 A 63.700 1
ATOM 29 C CE2 . PHE 2 2 ? A 29.898 14.598 -33.666 1.000 1 A 63.700 1
ATOM 30 C CZ . PHE 2 2 ? A 28.942 15.543 -33.257 1.000 1 A 63.700 1
ATOM 31 H H . PHE 2 2 ? A 30.985 11.955 -31.311 1.000 1 A 63.700 1
ATOM 32 H HA . PHE 2 2 ? A 28.816 12.168 -29.773 1.000 1 A 63.700 1
ATOM 33 H HB2 . PHE 2 2 ? A 29.191 10.790 -32.462 1.000 1 A 63.700 1
ATOM 34 H HB3 . PHE 2 2 ? A 27.618 11.205 -31.803 1.000 1 A 63.700 1
ATOM 35 H HD1 . PHE 2 2 ? A 27.047 13.578 -31.225 1.000 1 A 63.700 1
ATOM 36 H HD2 . PHE 2 2 ? A 30.530 12.542 -33.566 1.000 1 A 63.700 1
ATOM 37 H HE1 . PHE 2 2 ? A 27.186 15.898 -32.056 1.000 1 A 63.700 1
ATOM 38 H HE2 . PHE 2 2 ? A 30.685 14.897 -34.342 1.000 1 A 63.700 1
ATOM 39 H HZ . PHE 2 2 ? A 29.008 16.565 -33.601 1.000 1 A 63.700 1
ATOM 40 N N . TYR 3 3 ? A 29.379 8.932 -29.736 1.000 1 A 71.510 1
ATOM 41 C CA . TYR 3 3 ? A 28.822 7.663 -29.236 1.000 1 A 71.510 1
ATOM 42 C C . TYR 3 3 ? A 28.637 7.661 -27.710 1.000 1 A 71.510 1
ATOM 43 O O . TYR 3 3 ? A 27.645 7.137 -27.210 1.000 1 A 71.510 1
ATOM 44 C CB . TYR 3 3 ? A 29.689 6.486 -29.704 1.000 1 A 71.510 1
ATOM 45 C CG . TYR 3 3 ? A 29.002 5.137 -29.575 1.000 1 A 71.510 1
ATOM 46 C CD1 . TYR 3 3 ? A 29.217 4.327 -28.442 1.000 1 A 71.510 1
ATOM 47 C CD2 . TYR 3 3 ? A 28.142 4.694 -30.599 1.000 1 A 71.510 1
ATOM 48 C CE1 . TYR 3 3 ? A 28.582 3.073 -28.337 1.000 1 A 71.510 1
ATOM 49 C CE2 . TYR 3 3 ? A 27.501 3.445 -30.493 1.000 1 A 71.510 1
ATOM 50 C CZ . TYR 3 3 ? A 27.720 2.631 -29.364 1.000 1 A 71.510 1
ATOM 51 O OH . TYR 3 3 ? A 27.100 1.426 -29.278 1.000 1 A 71.510 1
ATOM 52 H H . TYR 3 3 ? A 30.298 8.936 -30.154 1.000 1 A 71.510 1
ATOM 53 H HA . TYR 3 3 ? A 27.831 7.530 -29.671 1.000 1 A 71.510 1
ATOM 54 H HB2 . TYR 3 3 ? A 30.622 6.475 -29.141 1.000 1 A 71.510 1
ATOM 55 H HB3 . TYR 3 3 ? A 29.942 6.630 -30.755 1.000 1 A 71.510 1
ATOM 56 H HD1 . TYR 3 3 ? A 29.867 4.662 -27.647 1.000 1 A 71.510 1
ATOM 57 H HD2 . TYR 3 3 ? A 27.979 5.301 -31.477 1.000 1 A 71.510 1
ATOM 58 H HE1 . TYR 3 3 ? A 28.750 2.449 -27.471 1.000 1 A 71.510 1
ATOM 59 H HE2 . TYR 3 3 ? A 26.848 3.088 -31.275 1.000 1 A 71.510 1
ATOM 60 H HH . TYR 3 3 ? A 27.347 0.933 -28.492 1.000 1 A 71.510 1
ATOM 61 N N . ARG 4 4 ? A 29.554 8.291 -26.960 1.000 1 A 73.070 1
ATOM 62 C CA . ARG 4 4 ? A 29.480 8.314 -25.489 1.000 1 A 73.070 1
ATOM 63 C C . ARG 4 4 ? A 28.305 9.147 -24.976 1.000 1 A 73.070 1
ATOM 64 O O . ARG 4 4 ? A 27.644 8.721 -24.037 1.000 1 A 73.070 1
ATOM 65 C CB . ARG 4 4 ? A 30.804 8.779 -24.863 1.000 1 A 73.070 1
ATOM 66 C CG . ARG 4 4 ? A 31.927 7.737 -25.013 1.000 1 A 73.070 1
ATOM 67 C CD . ARG 4 4 ? A 32.985 7.939 -23.920 1.000 1 A 73.070 1
ATOM 68 N NE . ARG 4 4 ? A 34.109 6.987 -24.045 1.000 1 A 73.070 1
ATOM 69 C CZ . ARG 4 4 ? A 34.827 6.472 -23.057 1.000 1 A 73.070 1
ATOM 70 N NH1 . ARG 4 4 ? A 34.562 6.704 -21.801 1.000 1 A 73.070 1
ATOM 71 N NH2 . ARG 4 4 ? A 35.848 5.703 -23.316 1.000 1 A 73.070 1
ATOM 72 H H . ARG 4 4 ? A 30.276 8.824 -27.423 1.000 1 A 73.070 1
ATOM 73 H HA . ARG 4 4 ? A 29.266 7.307 -25.133 1.000 1 A 73.070 1
ATOM 74 H HB2 . ARG 4 4 ? A 30.621 8.937 -23.800 1.000 1 A 73.070 1
ATOM 75 H HB3 . ARG 4 4 ? A 31.115 9.730 -25.294 1.000 1 A 73.070 1
ATOM 76 H HG2 . ARG 4 4 ? A 32.382 7.831 -26.000 1.000 1 A 73.070 1
ATOM 77 H HG3 . ARG 4 4 ? A 31.513 6.735 -24.907 1.000 1 A 73.070 1
ATOM 78 H HD2 . ARG 4 4 ? A 33.371 8.957 -23.983 1.000 1 A 73.070 1
ATOM 79 H HD3 . ARG 4 4 ? A 32.497 7.820 -22.952 1.000 1 A 73.070 1
ATOM 80 H HE . ARG 4 4 ? A 34.394 6.734 -24.980 1.000 1 A 73.070 1
ATOM 81 H HH11 . ARG 4 4 ? A 35.135 6.308 -21.069 1.000 1 A 73.070 1
ATOM 82 H HH12 . ARG 4 4 ? A 33.798 7.317 -21.557 1.000 1 A 73.070 1
ATOM 83 H HH21 . ARG 4 4 ? A 36.398 5.325 -22.558 1.000 1 A 73.070 1
ATOM 84 H HH22 . ARG 4 4 ? A 36.114 5.487 -24.266 1.000 1 A 73.070 1
ATOM 85 N N . GLU 5 5 ? A 28.001 10.268 -25.624 1.000 1 A 75.630 1
ATOM 86 C CA . GLU 5 5 ? A 26.862 11.123 -25.258 1.000 1 A 75.630 1
ATOM 87 C C . GLU 5 5 ? A 25.523 10.410 -25.469 1.000 1 A 75.630 1
ATOM 88 O O . GLU 5 5 ? A 24.659 10.440 -24.595 1.000 1 A 75.630 1
ATOM 89 C CB . GLU 5 5 ? A 26.896 12.404 -26.095 1.000 1 A 75.630 1
ATOM 90 C CG . GLU 5 5 ? A 28.088 13.297 -25.725 1.000 1 A 75.630 1
ATOM 91 C CD . GLU 5 5 ? A 28.198 14.527 -26.633 1.000 1 A 75.630 1
ATOM 92 O OE1 . GLU 5 5 ? A 28.856 15.493 -26.197 1.000 1 A 75.630 1
ATOM 93 O OE2 . GLU 5 5 ? A 27.712 14.442 -27.786 1.000 1 A 75.630 1
ATOM 94 H H . GLU 5 5 ? A 28.604 10.587 -26.369 1.000 1 A 75.630 1
ATOM 95 H HA . GLU 5 5 ? A 26.923 11.397 -24.204 1.000 1 A 75.630 1
ATOM 96 H HB2 . GLU 5 5 ? A 25.976 12.963 -25.928 1.000 1 A 75.630 1
ATOM 97 H HB3 . GLU 5 5 ? A 26.949 12.122 -27.147 1.000 1 A 75.630 1
ATOM 98 H HG2 . GLU 5 5 ? A 29.010 12.722 -25.815 1.000 1 A 75.630 1
ATOM 99 H HG3 . GLU 5 5 ? A 27.982 13.607 -24.685 1.000 1 A 75.630 1
ATOM 100 N N . LYS 6 6 ? A 25.365 9.685 -26.586 1.000 1 A 76.900 1
ATOM 101 C CA . LYS 6 6 ? A 24.144 8.906 -26.851 1.000 1 A 76.900 1
ATOM 102 C C . LYS 6 6 ? A 23.931 7.790 -25.827 1.000 1 A 76.900 1
ATOM 103 O O . LYS 6 6 ? A 22.802 7.577 -25.388 1.000 1 A 76.900 1
ATOM 104 C CB . LYS 6 6 ? A 24.165 8.335 -28.275 1.000 1 A 76.900 1
ATOM 105 C CG . LYS 6 6 ? A 23.950 9.428 -29.332 1.000 1 A 76.900 1
ATOM 106 C CD . LYS 6 6 ? A 23.801 8.811 -30.728 1.000 1 A 76.900 1
ATOM 107 C CE . LYS 6 6 ? A 23.527 9.915 -31.757 1.000 1 A 76.900 1
ATOM 108 N NZ . LYS 6 6 ? A 23.284 9.363 -33.115 1.000 1 A 76.900 1
ATOM 109 H H . LYS 6 6 ? A 26.100 9.711 -27.278 1.000 1 A 76.900 1
ATOM 110 H HA . LYS 6 6 ? A 23.282 9.564 -26.744 1.000 1 A 76.900 1
ATOM 111 H HB2 . LYS 6 6 ? A 23.358 7.608 -28.364 1.000 1 A 76.900 1
ATOM 112 H HB3 . LYS 6 6 ? A 25.110 7.823 -28.456 1.000 1 A 76.900 1
ATOM 113 H HG2 . LYS 6 6 ? A 24.792 10.119 -29.325 1.000 1 A 76.900 1
ATOM 114 H HG3 . LYS 6 6 ? A 23.041 9.980 -29.092 1.000 1 A 76.900 1
ATOM 115 H HD2 . LYS 6 6 ? A 24.720 8.283 -30.986 1.000 1 A 76.900 1
ATOM 116 H HD3 . LYS 6 6 ? A 22.971 8.105 -30.719 1.000 1 A 76.900 1
ATOM 117 H HE2 . LYS 6 6 ? A 24.378 10.596 -31.770 1.000 1 A 76.900 1
ATOM 118 H HE3 . LYS 6 6 ? A 22.658 10.484 -31.427 1.000 1 A 76.900 1
ATOM 119 H HZ1 . LYS 6 6 ? A 23.111 10.112 -33.770 1.000 1 A 76.900 1
ATOM 120 H HZ2 . LYS 6 6 ? A 24.084 8.838 -33.439 1.000 1 A 76.900 1
ATOM 121 H HZ3 . LYS 6 6 ? A 22.476 8.757 -33.114 1.000 1 A 76.900 1
ATOM 122 N N . VAL 7 7 ? A 25.000 7.097 -25.430 1.000 1 A 79.340 1
ATOM 123 C CA . VAL 7 7 ? A 24.932 6.044 -24.402 1.000 1 A 79.340 1
ATOM 124 C C . VAL 7 7 ? A 24.578 6.636 -23.036 1.000 1 A 79.340 1
ATOM 125 O O . VAL 7 7 ? A 23.733 6.080 -22.336 1.000 1 A 79.340 1
ATOM 126 C CB . VAL 7 7 ? A 26.248 5.244 -24.350 1.000 1 A 79.340 1
ATOM 127 C CG1 . VAL 7 7 ? A 26.278 4.235 -23.195 1.000 1 A 79.340 1
ATOM 128 C CG2 . VAL 7 7 ? A 26.446 4.443 -25.645 1.000 1 A 79.340 1
ATOM 129 H H . VAL 7 7 ? A 25.894 7.315 -25.848 1.000 1 A 79.340 1
ATOM 130 H HA . VAL 7 7 ? A 24.130 5.353 -24.659 1.000 1 A 79.340 1
ATOM 131 H HB . VAL 7 7 ? A 27.085 5.932 -24.232 1.000 1 A 79.340 1
ATOM 132 H HG11 . VAL 7 7 ? A 27.185 3.633 -23.247 1.000 1 A 79.340 1
ATOM 133 H HG12 . VAL 7 7 ? A 26.275 4.754 -22.236 1.000 1 A 79.340 1
ATOM 134 H HG13 . VAL 7 7 ? A 25.409 3.578 -23.246 1.000 1 A 79.340 1
ATOM 135 H HG21 . VAL 7 7 ? A 27.419 3.952 -25.628 1.000 1 A 79.340 1
ATOM 136 H HG22 . VAL 7 7 ? A 26.403 5.094 -26.518 1.000 1 A 79.340 1
ATOM 137 H HG23 . VAL 7 7 ? A 25.666 3.688 -25.740 1.000 1 A 79.340 1
ATOM 138 N N . PHE 8 8 ? A 25.159 7.784 -22.681 1.000 1 A 81.100 1
ATOM 139 C CA . PHE 8 8 ? A 24.854 8.475 -21.428 1.000 1 A 81.100 1
ATOM 140 C C . PHE 8 8 ? A 23.383 8.919 -21.357 1.000 1 A 81.100 1
ATOM 141 O O . PHE 8 8 ? A 22.689 8.597 -20.394 1.000 1 A 81.100 1
ATOM 142 C CB . PHE 8 8 ? A 25.826 9.648 -21.266 1.000 1 A 81.100 1
ATOM 143 C CG . PHE 8 8 ? A 25.690 10.343 -19.931 1.000 1 A 81.100 1
ATOM 144 C CD1 . PHE 8 8 ? A 24.938 11.527 -19.824 1.000 1 A 81.100 1
ATOM 145 C CD2 . PHE 8 8 ? A 26.279 9.777 -18.783 1.000 1 A 81.100 1
ATOM 146 C CE1 . PHE 8 8 ? A 24.776 12.141 -18.573 1.000 1 A 81.100 1
ATOM 147 C CE2 . PHE 8 8 ? A 26.113 10.394 -17.530 1.000 1 A 81.100 1
ATOM 148 C CZ . PHE 8 8 ? A 25.357 11.575 -17.427 1.000 1 A 81.100 1
ATOM 149 H H . PHE 8 8 ? A 25.851 8.197 -23.288 1.000 1 A 81.100 1
ATOM 150 H HA . PHE 8 8 ? A 25.016 7.784 -20.600 1.000 1 A 81.100 1
ATOM 151 H HB2 . PHE 8 8 ? A 25.664 10.370 -22.066 1.000 1 A 81.100 1
ATOM 152 H HB3 . PHE 8 8 ? A 26.847 9.279 -21.357 1.000 1 A 81.100 1
ATOM 153 H HD1 . PHE 8 8 ? A 24.461 11.958 -20.692 1.000 1 A 81.100 1
ATOM 154 H HD2 . PHE 8 8 ? A 26.847 8.862 -18.858 1.000 1 A 81.100 1
ATOM 155 H HE1 . PHE 8 8 ? A 24.166 13.027 -18.478 1.000 1 A 81.100 1
ATOM 156 H HE2 . PHE 8 8 ? A 26.550 9.958 -16.644 1.000 1 A 81.100 1
ATOM 157 H HZ . PHE 8 8 ? A 25.192 12.040 -16.466 1.000 1 A 81.100 1
ATOM 158 N N . LEU 9 9 ? A 22.862 9.540 -22.421 1.000 1 A 78.000 1
ATOM 159 C CA . LEU 9 9 ? A 21.451 9.940 -22.508 1.000 1 A 78.000 1
ATOM 160 C C . LEU 9 9 ? A 20.491 8.743 -22.420 1.000 1 A 78.000 1
ATOM 161 O O . LEU 9 9 ? A 19.440 8.828 -21.779 1.000 1 A 78.000 1
ATOM 162 C CB . LEU 9 9 ? A 21.230 10.695 -23.831 1.000 1 A 78.000 1
ATOM 163 C CG . LEU 9 9 ? A 21.822 12.115 -23.854 1.000 1 A 78.000 1
ATOM 164 C CD1 . LEU 9 9 ? A 21.795 12.647 -25.288 1.000 1 A 78.000 1
ATOM 165 C CD2 . LEU 9 9 ? A 21.022 13.074 -22.971 1.000 1 A 78.000 1
ATOM 166 H H . LEU 9 9 ? A 23.484 9.803 -23.172 1.000 1 A 78.000 1
ATOM 167 H HA . LEU 9 9 ? A 21.217 10.593 -21.667 1.000 1 A 78.000 1
ATOM 168 H HB2 . LEU 9 9 ? A 20.159 10.769 -24.021 1.000 1 A 78.000 1
ATOM 169 H HB3 . LEU 9 9 ? A 21.668 10.109 -24.639 1.000 1 A 78.000 1
ATOM 170 H HG . LEU 9 9 ? A 22.856 12.096 -23.510 1.000 1 A 78.000 1
ATOM 171 H HD11 . LEU 9 9 ? A 20.770 12.682 -25.659 1.000 1 A 78.000 1
ATOM 172 H HD12 . LEU 9 9 ? A 22.220 13.650 -25.309 1.000 1 A 78.000 1
ATOM 173 H HD13 . LEU 9 9 ? A 22.401 12.004 -25.927 1.000 1 A 78.000 1
ATOM 174 H HD21 . LEU 9 9 ? A 19.975 13.095 -23.273 1.000 1 A 78.000 1
ATOM 175 H HD22 . LEU 9 9 ? A 21.091 12.774 -21.925 1.000 1 A 78.000 1
ATOM 176 H HD23 . LEU 9 9 ? A 21.439 14.078 -23.051 1.000 1 A 78.000 1
ATOM 177 N N . ALA 10 10 ? A 20.843 7.611 -23.038 1.000 1 A 80.580 1
ATOM 178 C CA . ALA 10 10 ? A 20.056 6.385 -22.934 1.000 1 A 80.580 1
ATOM 179 C C . ALA 10 10 ? A 20.038 5.842 -21.492 1.000 1 A 80.580 1
ATOM 180 O O . ALA 10 10 ? A 18.973 5.471 -20.985 1.000 1 A 80.580 1
ATOM 181 C CB . ALA 10 10 ? A 20.602 5.357 -23.932 1.000 1 A 80.580 1
ATOM 182 H H . ALA 10 10 ? A 21.693 7.600 -23.583 1.000 1 A 80.580 1
ATOM 183 H HA . ALA 10 10 ? A 19.026 6.612 -23.210 1.000 1 A 80.580 1
ATOM 184 H HB1 . ALA 10 10 ? A 21.633 5.104 -23.686 1.000 1 A 80.580 1
ATOM 185 H HB2 . ALA 10 10 ? A 19.995 4.452 -23.895 1.000 1 A 80.580 1
ATOM 186 H HB3 . ALA 10 10 ? A 20.568 5.768 -24.941 1.000 1 A 80.580 1
ATOM 187 N N . TYR 11 11 ? A 21.188 5.852 -20.809 1.000 1 A 80.080 1
ATOM 188 C CA . TYR 11 11 ? A 21.295 5.446 -19.408 1.000 1 A 80.080 1
ATOM 189 C C . TYR 11 11 ? A 20.440 6.337 -18.496 1.000 1 A 80.080 1
ATOM 190 O O . TYR 11 11 ? A 19.606 5.822 -17.752 1.000 1 A 80.080 1
ATOM 191 C CB . TYR 11 11 ? A 22.765 5.437 -18.975 1.000 1 A 80.080 1
ATOM 192 C CG . TYR 11 11 ? A 22.957 4.919 -17.565 1.000 1 A 80.080 1
ATOM 193 C CD1 . TYR 11 11 ? A 23.096 5.821 -16.492 1.000 1 A 80.080 1
ATOM 194 C CD2 . TYR 11 11 ? A 22.961 3.531 -17.325 1.000 1 A 80.080 1
ATOM 195 C CE1 . TYR 11 11 ? A 23.248 5.336 -15.178 1.000 1 A 80.080 1
ATOM 196 C CE2 . TYR 11 11 ? A 23.112 3.043 -16.013 1.000 1 A 80.080 1
ATOM 197 C CZ . TYR 11 11 ? A 23.256 3.944 -14.938 1.000 1 A 80.080 1
ATOM 198 O OH . TYR 11 11 ? A 23.398 3.466 -13.675 1.000 1 A 80.080 1
ATOM 199 H H . TYR 11 11 ? A 22.024 6.180 -21.271 1.000 1 A 80.080 1
ATOM 200 H HA . TYR 11 11 ? A 20.920 4.427 -19.315 1.000 1 A 80.080 1
ATOM 201 H HB2 . TYR 11 11 ? A 23.176 6.444 -19.044 1.000 1 A 80.080 1
ATOM 202 H HB3 . TYR 11 11 ? A 23.332 4.805 -19.659 1.000 1 A 80.080 1
ATOM 203 H HD1 . TYR 11 11 ? A 23.087 6.885 -16.676 1.000 1 A 80.080 1
ATOM 204 H HD2 . TYR 11 11 ? A 22.847 2.839 -18.146 1.000 1 A 80.080 1
ATOM 205 H HE1 . TYR 11 11 ? A 23.358 6.031 -14.359 1.000 1 A 80.080 1
ATOM 206 H HE2 . TYR 11 11 ? A 23.120 1.981 -15.816 1.000 1 A 80.080 1
ATOM 207 H HH . TYR 11 11 ? A 23.508 4.172 -13.034 1.000 1 A 80.080 1
ATOM 208 N N . GLU 12 12 ? A 20.530 7.663 -18.625 1.000 1 A 79.530 1
ATOM 209 C CA . GLU 12 12 ? A 19.692 8.584 -17.849 1.000 1 A 79.530 1
ATOM 210 C C . GLU 12 12 ? A 18.197 8.367 -18.116 1.000 1 A 79.530 1
ATOM 211 O O . GLU 12 12 ? A 17.405 8.264 -17.178 1.000 1 A 79.530 1
ATOM 212 C CB . GLU 12 12 ? A 20.059 10.039 -18.147 1.000 1 A 79.530 1
ATOM 213 C CG . GLU 12 12 ? A 21.417 10.435 -17.552 1.000 1 A 79.530 1
ATOM 214 C CD . GLU 12 12 ? A 21.606 11.957 -17.566 1.000 1 A 79.530 1
ATOM 215 O OE1 . GLU 12 12 ? A 22.252 12.459 -16.621 1.000 1 A 79.530 1
ATOM 216 O OE2 . GLU 12 12 ? A 21.061 12.606 -18.488 1.000 1 A 79.530 1
ATOM 217 H H . GLU 12 12 ? A 21.231 8.052 -19.240 1.000 1 A 79.530 1
ATOM 218 H HA . GLU 12 12 ? A 19.856 8.404 -16.786 1.000 1 A 79.530 1
ATOM 219 H HB2 . GLU 12 12 ? A 20.059 10.204 -19.225 1.000 1 A 79.530 1
ATOM 220 H HB3 . GLU 12 12 ? A 19.294 10.673 -17.700 1.000 1 A 79.530 1
ATOM 221 H HG2 . GLU 12 12 ? A 22.217 9.954 -18.115 1.000 1 A 79.530 1
ATOM 222 H HG3 . GLU 12 12 ? A 21.462 10.075 -16.525 1.000 1 A 79.530 1
ATOM 223 N N . CYS 13 13 ? A 17.787 8.204 -19.379 1.000 1 A 77.700 1
ATOM 224 C CA . CYS 13 13 ? A 16.386 7.950 -19.725 1.000 1 A 77.700 1
ATOM 225 C C . CYS 13 13 ? A 15.852 6.659 -19.089 1.000 1 A 77.700 1
ATOM 226 O O . CYS 13 13 ? A 14.724 6.632 -18.585 1.000 1 A 77.700 1
ATOM 227 C CB . CYS 13 13 ? A 16.237 7.872 -21.248 1.000 1 A 77.700 1
ATOM 228 S SG . CYS 13 13 ? A 16.324 9.531 -21.964 1.000 1 A 77.700 1
ATOM 229 H H . CYS 13 13 ? A 18.467 8.316 -20.118 1.000 1 A 77.700 1
ATOM 230 H HA . CYS 13 13 ? A 15.778 8.773 -19.350 1.000 1 A 77.700 1
ATOM 231 H HB2 . CYS 13 13 ? A 17.023 7.245 -21.670 1.000 1 A 77.700 1
ATOM 232 H HB3 . CYS 13 13 ? A 15.268 7.439 -21.495 1.000 1 A 77.700 1
ATOM 233 H HG . CYS 13 13 ? A 17.633 9.706 -21.762 1.000 1 A 77.700 1
ATOM 234 N N . THR 14 14 ? A 16.640 5.580 -19.108 1.000 1 A 79.850 1
ATOM 235 C CA . THR 14 14 ? A 16.252 4.309 -18.475 1.000 1 A 79.850 1
ATOM 236 C C . THR 14 14 ? A 16.195 4.427 -16.955 1.000 1 A 79.850 1
ATOM 237 O O . THR 14 14 ? A 15.223 3.963 -16.351 1.000 1 A 79.850 1
ATOM 238 C CB . THR 14 14 ? A 17.151 3.137 -18.887 1.000 1 A 79.850 1
ATOM 239 O OG1 . THR 14 14 ? A 18.506 3.373 -18.617 1.000 1 A 79.850 1
ATOM 240 C CG2 . THR 14 14 ? A 16.999 2.786 -20.365 1.000 1 A 79.850 1
ATOM 241 H H . THR 14 14 ? A 17.548 5.661 -19.543 1.000 1 A 79.850 1
ATOM 242 H HA . THR 14 14 ? A 15.241 4.060 -18.800 1.000 1 A 79.850 1
ATOM 243 H HB . THR 14 14 ? A 16.847 2.261 -18.314 1.000 1 A 79.850 1
ATOM 244 H HG1 . THR 14 14 ? A 18.774 4.236 -18.940 1.000 1 A 79.850 1
ATOM 245 H HG21 . THR 14 14 ? A 17.681 1.973 -20.612 1.000 1 A 79.850 1
ATOM 246 H HG22 . THR 14 14 ? A 17.231 3.645 -20.995 1.000 1 A 79.850 1
ATOM 247 H HG23 . THR 14 14 ? A 15.977 2.460 -20.563 1.000 1 A 79.850 1
ATOM 248 N N . TRP 15 15 ? A 17.148 5.126 -16.337 1.000 1 A 76.620 1
ATOM 249 C CA . TRP 15 15 ? A 17.148 5.412 -14.905 1.000 1 A 76.620 1
ATOM 250 C C . TRP 15 15 ? A 15.925 6.237 -14.482 1.000 1 A 76.620 1
ATOM 251 O O . TRP 15 15 ? A 15.176 5.821 -13.597 1.000 1 A 76.620 1
ATOM 252 C CB . TRP 15 15 ? A 18.456 6.116 -14.542 1.000 1 A 76.620 1
ATOM 253 C CG . TRP 15 15 ? A 18.585 6.419 -13.087 1.000 1 A 76.620 1
ATOM 254 C CD1 . TRP 15 15 ? A 18.497 7.644 -12.525 1.000 1 A 76.620 1
ATOM 255 C CD2 . TRP 15 15 ? A 18.843 5.488 -11.993 1.000 1 A 76.620 1
ATOM 256 N NE1 . TRP 15 15 ? A 18.693 7.538 -11.163 1.000 1 A 76.620 1
ATOM 257 C CE2 . TRP 15 15 ? A 18.880 6.228 -10.775 1.000 1 A 76.620 1
ATOM 258 C CE3 . TRP 15 15 ? A 19.074 4.097 -11.912 1.000 1 A 76.620 1
ATOM 259 C CZ2 . TRP 15 15 ? A 19.112 5.620 -9.533 1.000 1 A 76.620 1
ATOM 260 C CZ3 . TRP 15 15 ? A 19.318 3.477 -10.671 1.000 1 A 76.620 1
ATOM 261 C CH2 . TRP 15 15 ? A 19.332 4.233 -9.485 1.000 1 A 76.620 1
ATOM 262 H H . TRP 15 15 ? A 17.941 5.445 -16.874 1.000 1 A 76.620 1
ATOM 263 H HA . TRP 15 15 ? A 17.114 4.471 -14.356 1.000 1 A 76.620 1
ATOM 264 H HB2 . TRP 15 15 ? A 18.539 7.046 -15.105 1.000 1 A 76.620 1
ATOM 265 H HB3 . TRP 15 15 ? A 19.292 5.480 -14.832 1.000 1 A 76.620 1
ATOM 266 H HD1 . TRP 15 15 ? A 18.350 8.565 -13.071 1.000 1 A 76.620 1
ATOM 267 H HE1 . TRP 15 15 ? A 18.782 8.339 -10.554 1.000 1 A 76.620 1
ATOM 268 H HE3 . TRP 15 15 ? A 19.094 3.511 -12.819 1.000 1 A 76.620 1
ATOM 269 H HZ2 . TRP 15 15 ? A 19.158 6.215 -8.633 1.000 1 A 76.620 1
ATOM 270 H HZ3 . TRP 15 15 ? A 19.519 2.417 -10.631 1.000 1 A 76.620 1
ATOM 271 H HH2 . TRP 15 15 ? A 19.542 3.751 -8.542 1.000 1 A 76.620 1
ATOM 272 N N . PHE 16 16 ? A 15.625 7.342 -15.173 1.000 1 A 76.100 1
ATOM 273 C CA . PHE 16 16 ? A 14.448 8.174 -14.895 1.000 1 A 76.100 1
ATOM 274 C C . PHE 16 16 ? A 13.129 7.423 -15.106 1.000 1 A 76.100 1
ATOM 275 O O . PHE 16 16 ? A 12.206 7.560 -14.298 1.000 1 A 76.100 1
ATOM 276 C CB . PHE 16 16 ? A 14.474 9.448 -15.753 1.000 1 A 76.100 1
ATOM 277 C CG . PHE 16 16 ? A 15.289 10.573 -15.149 1.000 1 A 76.100 1
ATOM 278 C CD1 . PHE 16 16 ? A 14.820 11.233 -13.996 1.000 1 A 76.100 1
ATOM 279 C CD2 . PHE 16 16 ? A 16.498 10.986 -15.739 1.000 1 A 76.100 1
ATOM 280 C CE1 . PHE 16 16 ? A 15.566 12.282 -13.429 1.000 1 A 76.100 1
ATOM 281 C CE2 . PHE 16 16 ? A 17.251 12.022 -15.165 1.000 1 A 76.100 1
ATOM 282 C CZ . PHE 16 16 ? A 16.785 12.671 -14.010 1.000 1 A 76.100 1
ATOM 283 H H . PHE 16 16 ? A 16.282 7.656 -15.874 1.000 1 A 76.100 1
ATOM 284 H HA . PHE 16 16 ? A 14.478 8.468 -13.846 1.000 1 A 76.100 1
ATOM 285 H HB2 . PHE 16 16 ? A 14.838 9.213 -16.753 1.000 1 A 76.100 1
ATOM 286 H HB3 . PHE 16 16 ? A 13.455 9.820 -15.863 1.000 1 A 76.100 1
ATOM 287 H HD1 . PHE 16 16 ? A 13.883 10.938 -13.546 1.000 1 A 76.100 1
ATOM 288 H HD2 . PHE 16 16 ? A 16.855 10.529 -16.651 1.000 1 A 76.100 1
ATOM 289 H HE1 . PHE 16 16 ? A 15.211 12.795 -12.548 1.000 1 A 76.100 1
ATOM 290 H HE2 . PHE 16 16 ? A 18.179 12.332 -15.622 1.000 1 A 76.100 1
ATOM 291 H HZ . PHE 16 16 ? A 17.365 13.475 -13.582 1.000 1 A 76.100 1
ATOM 292 N N . ARG 17 17 ? A 13.021 6.593 -16.154 1.000 1 A 76.310 1
ATOM 293 C CA . ARG 17 17 ? A 11.845 5.730 -16.367 1.000 1 A 76.310 1
ATOM 294 C C . ARG 17 17 ? A 11.680 4.720 -15.236 1.000 1 A 76.310 1
ATOM 295 O O . ARG 17 17 ? A 10.559 4.526 -14.762 1.000 1 A 76.310 1
ATOM 296 C CB . ARG 17 17 ? A 11.945 5.004 -17.716 1.000 1 A 76.310 1
ATOM 297 C CG . ARG 17 17 ? A 11.577 5.912 -18.897 1.000 1 A 76.310 1
ATOM 298 C CD . ARG 17 17 ? A 11.740 5.143 -20.213 1.000 1 A 76.310 1
ATOM 299 N NE . ARG 17 17 ? A 11.453 5.994 -21.383 1.000 1 A 76.310 1
ATOM 300 C CZ . ARG 17 17 ? A 11.339 5.587 -22.637 1.000 1 A 76.310 1
ATOM 301 N NH1 . ARG 17 17 ? A 11.434 4.330 -22.970 1.000 1 A 76.310 1
ATOM 302 N NH2 . ARG 17 17 ? A 11.133 6.448 -23.594 1.000 1 A 76.310 1
ATOM 303 H H . ARG 17 17 ? A 13.799 6.541 -16.796 1.000 1 A 76.310 1
ATOM 304 H HA . ARG 17 17 ? A 10.944 6.344 -16.354 1.000 1 A 76.310 1
ATOM 305 H HB2 . ARG 17 17 ? A 12.954 4.614 -17.846 1.000 1 A 76.310 1
ATOM 306 H HB3 . ARG 17 17 ? A 11.255 4.159 -17.714 1.000 1 A 76.310 1
ATOM 307 H HG2 . ARG 17 17 ? A 10.540 6.235 -18.796 1.000 1 A 76.310 1
ATOM 308 H HG3 . ARG 17 17 ? A 12.217 6.794 -18.907 1.000 1 A 76.310 1
ATOM 309 H HD2 . ARG 17 17 ? A 12.767 4.785 -20.280 1.000 1 A 76.310 1
ATOM 310 H HD3 . ARG 17 17 ? A 11.068 4.286 -20.204 1.000 1 A 76.310 1
ATOM 311 H HE . ARG 17 17 ? A 11.439 6.992 -21.229 1.000 1 A 76.310 1
ATOM 312 H HH11 . ARG 17 17 ? A 11.655 3.644 -22.262 1.000 1 A 76.310 1
ATOM 313 H HH12 . ARG 17 17 ? A 11.371 4.049 -23.939 1.000 1 A 76.310 1
ATOM 314 H HH21 . ARG 17 17 ? A 11.075 6.137 -24.553 1.000 1 A 76.310 1
ATOM 315 H HH22 . ARG 17 17 ? A 11.110 7.440 -23.404 1.000 1 A 76.310 1
ATOM 316 N N . THR 18 18 ? A 12.778 4.130 -14.773 1.000 1 A 75.010 1
ATOM 317 C CA . THR 18 18 ? A 12.780 3.163 -13.668 1.000 1 A 75.010 1
ATOM 318 C C . THR 18 18 ? A 12.391 3.836 -12.355 1.000 1 A 75.010 1
ATOM 319 O O . THR 18 18 ? A 11.494 3.353 -11.669 1.000 1 A 75.010 1
ATOM 320 C CB . THR 18 18 ? A 14.140 2.461 -13.557 1.000 1 A 75.010 1
ATOM 321 O OG1 . THR 18 18 ? A 14.437 1.872 -14.799 1.000 1 A 75.010 1
ATOM 322 C CG2 . THR 18 18 ? A 14.120 1.332 -12.529 1.000 1 A 75.010 1
ATOM 323 H H . THR 18 18 ? A 13.658 4.338 -15.222 1.000 1 A 75.010 1
ATOM 324 H HA . THR 18 18 ? A 12.035 2.395 -13.875 1.000 1 A 75.010 1
ATOM 325 H HB . THR 18 18 ? A 14.920 3.178 -13.300 1.000 1 A 75.010 1
ATOM 326 H HG1 . THR 18 18 ? A 14.876 2.531 -15.342 1.000 1 A 75.010 1
ATOM 327 H HG21 . THR 18 18 ? A 13.309 0.638 -12.747 1.000 1 A 75.010 1
ATOM 328 H HG22 . THR 18 18 ? A 13.997 1.739 -11.525 1.000 1 A 75.010 1
ATOM 329 H HG23 . THR 18 18 ? A 15.069 0.797 -12.571 1.000 1 A 75.010 1
ATOM 330 N N . LEU 19 19 ? A 12.943 5.016 -12.054 1.000 1 A 74.400 1
ATOM 331 C CA . LEU 19 19 ? A 12.535 5.831 -10.908 1.000 1 A 74.400 1
ATOM 332 C C . LEU 19 19 ? A 11.055 6.220 -10.972 1.000 1 A 74.400 1
ATOM 333 O O . LEU 19 19 ? A 10.353 6.127 -9.968 1.000 1 A 74.400 1
ATOM 334 C CB . LEU 19 19 ? A 13.401 7.100 -10.836 1.000 1 A 74.400 1
ATOM 335 C CG . LEU 19 19 ? A 14.837 6.897 -10.321 1.000 1 A 74.400 1
ATOM 336 C CD1 . LEU 19 19 ? A 15.541 8.253 -10.360 1.000 1 A 74.400 1
ATOM 337 C CD2 . LEU 19 19 ? A 14.865 6.386 -8.878 1.000 1 A 74.400 1
ATOM 338 H H . LEU 19 19 ? A 13.704 5.347 -12.629 1.000 1 A 74.400 1
ATOM 339 H HA . LEU 19 19 ? A 12.663 5.248 -9.996 1.000 1 A 74.400 1
ATOM 340 H HB2 . LEU 19 19 ? A 13.444 7.554 -11.826 1.000 1 A 74.400 1
ATOM 341 H HB3 . LEU 19 19 ? A 12.909 7.811 -10.172 1.000 1 A 74.400 1
ATOM 342 H HG . LEU 19 19 ? A 15.373 6.193 -10.959 1.000 1 A 74.400 1
ATOM 343 H HD11 . LEU 19 19 ? A 15.690 8.560 -11.395 1.000 1 A 74.400 1
ATOM 344 H HD12 . LEU 19 19 ? A 16.515 8.171 -9.879 1.000 1 A 74.400 1
ATOM 345 H HD13 . LEU 19 19 ? A 14.961 9.008 -9.829 1.000 1 A 74.400 1
ATOM 346 H HD21 . LEU 19 19 ? A 14.296 7.045 -8.223 1.000 1 A 74.400 1
ATOM 347 H HD22 . LEU 19 19 ? A 14.471 5.371 -8.826 1.000 1 A 74.400 1
ATOM 348 H HD23 . LEU 19 19 ? A 15.898 6.347 -8.533 1.000 1 A 74.400 1
ATOM 349 N N . LYS 20 20 ? A 10.545 6.619 -12.143 1.000 1 A 74.630 1
ATOM 350 C CA . LYS 20 20 ? A 9.126 6.969 -12.324 1.000 1 A 74.630 1
ATOM 351 C C . LYS 20 20 ? A 8.213 5.756 -12.122 1.000 1 A 74.630 1
ATOM 352 O O . LYS 20 20 ? A 7.157 5.894 -11.503 1.000 1 A 74.630 1
ATOM 353 C CB . LYS 20 20 ? A 8.943 7.628 -13.700 1.000 1 A 74.630 1
ATOM 354 C CG . LYS 20 20 ? A 7.553 8.263 -13.878 1.000 1 A 74.630 1
ATOM 355 C CD . LYS 20 20 ? A 7.482 9.041 -15.203 1.000 1 A 74.630 1
ATOM 356 C CE . LYS 20 20 ? A 6.137 9.767 -15.358 1.000 1 A 74.630 1
ATOM 357 N NZ . LYS 20 20 ? A 6.107 10.621 -16.578 1.000 1 A 74.630 1
ATOM 358 H H . LYS 20 20 ? A 11.181 6.725 -12.920 1.000 1 A 74.630 1
ATOM 359 H HA . LYS 20 20 ? A 8.855 7.689 -11.552 1.000 1 A 74.630 1
ATOM 360 H HB2 . LYS 20 20 ? A 9.112 6.891 -14.485 1.000 1 A 74.630 1
ATOM 361 H HB3 . LYS 20 20 ? A 9.691 8.413 -13.803 1.000 1 A 74.630 1
ATOM 362 H HG2 . LYS 20 20 ? A 6.789 7.486 -13.874 1.000 1 A 74.630 1
ATOM 363 H HG3 . LYS 20 20 ? A 7.366 8.949 -13.052 1.000 1 A 74.630 1
ATOM 364 H HD2 . LYS 20 20 ? A 8.288 9.775 -15.220 1.000 1 A 74.630 1
ATOM 365 H HD3 . LYS 20 20 ? A 7.624 8.348 -16.032 1.000 1 A 74.630 1
ATOM 366 H HE2 . LYS 20 20 ? A 5.339 9.026 -15.395 1.000 1 A 74.630 1
ATOM 367 H HE3 . LYS 20 20 ? A 5.981 10.388 -14.476 1.000 1 A 74.630 1
ATOM 368 H HZ1 . LYS 20 20 ? A 6.841 11.314 -16.546 1.000 1 A 74.630 1
ATOM 369 H HZ2 . LYS 20 20 ? A 6.236 10.076 -17.419 1.000 1 A 74.630 1
ATOM 370 H HZ3 . LYS 20 20 ? A 5.234 11.123 -16.657 1.000 1 A 74.630 1
ATOM 371 N N . LYS 21 21 ? A 8.619 4.574 -12.599 1.000 1 A 75.390 1
ATOM 372 C CA . LYS 21 21 ? A 7.897 3.311 -12.383 1.000 1 A 75.390 1
ATOM 373 C C . LYS 21 21 ? A 7.920 2.908 -10.907 1.000 1 A 75.390 1
ATOM 374 O O . LYS 21 21 ? A 6.869 2.605 -10.354 1.000 1 A 75.390 1
ATOM 375 C CB . LYS 21 21 ? A 8.481 2.222 -13.299 1.000 1 A 75.390 1
ATOM 376 C CG . LYS 21 21 ? A 7.601 0.962 -13.332 1.000 1 A 75.390 1
ATOM 377 C CD . LYS 21 21 ? A 8.172 -0.089 -14.296 1.000 1 A 75.390 1
ATOM 378 C CE . LYS 21 21 ? A 7.275 -1.335 -14.321 1.000 1 A 75.390 1
ATOM 379 N NZ . LYS 21 21 ? A 7.822 -2.406 -15.196 1.000 1 A 75.390 1
ATOM 380 H H . LYS 21 21 ? A 9.487 4.549 -13.114 1.000 1 A 75.390 1
ATOM 381 H HA . LYS 21 21 ? A 6.849 3.457 -12.643 1.000 1 A 75.390 1
ATOM 382 H HB2 . LYS 21 21 ? A 9.484 1.958 -12.963 1.000 1 A 75.390 1
ATOM 383 H HB3 . LYS 21 21 ? A 8.553 2.618 -14.313 1.000 1 A 75.390 1
ATOM 384 H HG2 . LYS 21 21 ? A 6.596 1.235 -13.654 1.000 1 A 75.390 1
ATOM 385 H HG3 . LYS 21 21 ? A 7.543 0.532 -12.332 1.000 1 A 75.390 1
ATOM 386 H HD2 . LYS 21 21 ? A 9.172 -0.366 -13.962 1.000 1 A 75.390 1
ATOM 387 H HD3 . LYS 21 21 ? A 8.237 0.337 -15.298 1.000 1 A 75.390 1
ATOM 388 H HE2 . LYS 21 21 ? A 6.280 -1.046 -14.660 1.000 1 A 75.390 1
ATOM 389 H HE3 . LYS 21 21 ? A 7.177 -1.708 -13.302 1.000 1 A 75.390 1
ATOM 390 H HZ1 . LYS 21 21 ? A 7.903 -2.097 -16.154 1.000 1 A 75.390 1
ATOM 391 H HZ2 . LYS 21 21 ? A 7.221 -3.218 -15.181 1.000 1 A 75.390 1
ATOM 392 H HZ3 . LYS 21 21 ? A 8.734 -2.700 -14.875 1.000 1 A 75.390 1
ATOM 393 N N . ASN 22 22 ? A 9.070 3.015 -10.246 1.000 1 A 73.660 1
ATOM 394 C CA . ASN 22 22 ? A 9.208 2.710 -8.824 1.000 1 A 73.660 1
ATOM 395 C C . ASN 22 22 ? A 8.388 3.671 -7.956 1.000 1 A 73.660 1
ATOM 396 O O . ASN 22 22 ? A 7.658 3.211 -7.088 1.000 1 A 73.660 1
ATOM 397 C CB . ASN 22 22 ? A 10.699 2.694 -8.443 1.000 1 A 73.660 1
ATOM 398 C CG . ASN 22 22 ? A 11.432 1.481 -8.997 1.000 1 A 73.660 1
ATOM 399 O OD1 . ASN 22 22 ? A 10.845 0.554 -9.530 1.000 1 A 73.660 1
ATOM 400 N ND2 . ASN 22 22 ? A 12.737 1.442 -8.876 1.000 1 A 73.660 1
ATOM 401 H H . ASN 22 22 ? A 9.909 3.211 -10.773 1.000 1 A 73.660 1
ATOM 402 H HA . ASN 22 22 ? A 8.803 1.715 -8.640 1.000 1 A 73.660 1
ATOM 403 H HB2 . ASN 22 22 ? A 11.187 3.602 -8.795 1.000 1 A 73.660 1
ATOM 404 H HB3 . ASN 22 22 ? A 10.787 2.653 -7.357 1.000 1 A 73.660 1
ATOM 405 H HD21 . ASN 22 22 ? A 13.249 2.173 -8.403 1.000 1 A 73.660 1
ATOM 406 H HD22 . ASN 22 22 ? A 13.189 0.603 -9.210 1.000 1 A 73.660 1
ATOM 407 N N . LYS 23 23 ? A 8.407 4.985 -8.230 1.000 1 A 71.540 1
ATOM 408 C CA . LYS 23 23 ? A 7.551 5.965 -7.531 1.000 1 A 71.540 1
ATOM 409 C C . LYS 23 23 ? A 6.066 5.630 -7.667 1.000 1 A 71.540 1
ATOM 410 O O . LYS 23 23 ? A 5.339 5.696 -6.682 1.000 1 A 71.540 1
ATOM 411 C CB . LYS 23 23 ? A 7.813 7.390 -8.047 1.000 1 A 71.540 1
ATOM 412 C CG . LYS 23 23 ? A 9.106 7.994 -7.479 1.000 1 A 71.540 1
ATOM 413 C CD . LYS 23 23 ? A 9.291 9.445 -7.951 1.000 1 A 71.540 1
ATOM 414 C CE . LYS 23 23 ? A 10.574 10.030 -7.343 1.000 1 A 71.540 1
ATOM 415 N NZ . LYS 23 23 ? A 10.756 11.471 -7.666 1.000 1 A 71.540 1
ATOM 416 H H . LYS 23 23 ? A 9.057 5.315 -8.929 1.000 1 A 71.540 1
ATOM 417 H HA . LYS 23 23 ? A 7.761 5.929 -6.462 1.000 1 A 71.540 1
ATOM 418 H HB2 . LYS 23 23 ? A 6.984 8.027 -7.736 1.000 1 A 71.540 1
ATOM 419 H HB3 . LYS 23 23 ? A 7.850 7.388 -9.136 1.000 1 A 71.540 1
ATOM 420 H HG2 . LYS 23 23 ? A 9.965 7.398 -7.787 1.000 1 A 71.540 1
ATOM 421 H HG3 . LYS 23 23 ? A 9.052 7.982 -6.391 1.000 1 A 71.540 1
ATOM 422 H HD2 . LYS 23 23 ? A 9.357 9.465 -9.039 1.000 1 A 71.540 1
ATOM 423 H HD3 . LYS 23 23 ? A 8.433 10.035 -7.629 1.000 1 A 71.540 1
ATOM 424 H HE2 . LYS 23 23 ? A 10.527 9.904 -6.261 1.000 1 A 71.540 1
ATOM 425 H HE3 . LYS 23 23 ? A 11.426 9.453 -7.700 1.000 1 A 71.540 1
ATOM 426 H HZ1 . LYS 23 23 ? A 10.829 11.623 -8.662 1.000 1 A 71.540 1
ATOM 427 H HZ2 . LYS 23 23 ? A 9.990 12.020 -7.302 1.000 1 A 71.540 1
ATOM 428 H HZ3 . LYS 23 23 ? A 11.600 11.820 -7.235 1.000 1 A 71.540 1
ATOM 429 N N . ARG 24 24 ? A 5.618 5.241 -8.867 1.000 1 A 73.870 1
ATOM 430 C CA . ARG 24 24 ? A 4.237 4.779 -9.074 1.000 1 A 73.870 1
ATOM 431 C C . ARG 24 24 ? A 3.946 3.505 -8.288 1.000 1 A 73.870 1
ATOM 432 O O . ARG 24 24 ? A 2.897 3.439 -7.666 1.000 1 A 73.870 1
ATOM 433 C CB . ARG 24 24 ? A 3.931 4.585 -10.563 1.000 1 A 73.870 1
ATOM 434 C CG . ARG 24 24 ? A 3.666 5.927 -11.256 1.000 1 A 73.870 1
ATOM 435 C CD . ARG 24 24 ? A 3.271 5.684 -12.715 1.000 1 A 73.870 1
ATOM 436 N NE . ARG 24 24 ? A 2.855 6.933 -13.381 1.000 1 A 73.870 1
ATOM 437 C CZ . ARG 24 24 ? A 2.375 7.033 -14.609 1.000 1 A 73.870 1
ATOM 438 N NH1 . ARG 24 24 ? A 2.277 6.001 -15.399 1.000 1 A 73.870 1
ATOM 439 N NH2 . ARG 24 24 ? A 1.973 8.186 -15.068 1.000 1 A 73.870 1
ATOM 440 H H . ARG 24 24 ? A 6.274 5.204 -9.634 1.000 1 A 73.870 1
ATOM 441 H HA . ARG 24 24 ? A 3.549 5.517 -8.662 1.000 1 A 73.870 1
ATOM 442 H HB2 . ARG 24 24 ? A 4.754 4.065 -11.052 1.000 1 A 73.870 1
ATOM 443 H HB3 . ARG 24 24 ? A 3.035 3.971 -10.654 1.000 1 A 73.870 1
ATOM 444 H HG2 . ARG 24 24 ? A 4.558 6.553 -11.215 1.000 1 A 73.870 1
ATOM 445 H HG3 . ARG 24 24 ? A 2.849 6.435 -10.744 1.000 1 A 73.870 1
ATOM 446 H HD2 . ARG 24 24 ? A 4.121 5.247 -13.239 1.000 1 A 73.870 1
ATOM 447 H HD3 . ARG 24 24 ? A 2.443 4.975 -12.734 1.000 1 A 73.870 1
ATOM 448 H HE . ARG 24 24 ? A 2.830 7.761 -12.803 1.000 1 A 73.870 1
ATOM 449 H HH11 . ARG 24 24 ? A 1.819 6.074 -16.297 1.000 1 A 73.870 1
ATOM 450 H HH12 . ARG 24 24 ? A 2.492 5.086 -15.030 1.000 1 A 73.870 1
ATOM 451 H HH21 . ARG 24 24 ? A 1.850 8.960 -14.431 1.000 1 A 73.870 1
ATOM 452 H HH22 . ARG 24 24 ? A 1.489 8.220 -15.954 1.000 1 A 73.870 1
ATOM 453 N N . ASN 25 25 ? A 4.868 2.547 -8.254 1.000 1 A 72.600 1
ATOM 454 C CA . ASN 25 25 ? A 4.697 1.325 -7.469 1.000 1 A 72.600 1
ATOM 455 C C . ASN 25 25 ? A 4.586 1.623 -5.970 1.000 1 A 72.600 1
ATOM 456 O O . ASN 25 25 ? A 3.672 1.114 -5.333 1.000 1 A 72.600 1
ATOM 457 C CB . ASN 25 25 ? A 5.846 0.348 -7.756 1.000 1 A 72.600 1
ATOM 458 C CG . ASN 25 25 ? A 5.781 -0.288 -9.131 1.000 1 A 72.600 1
ATOM 459 O OD1 . ASN 25 25 ? A 4.879 -0.087 -9.929 1.000 1 A 72.600 1
ATOM 460 N ND2 . ASN 25 25 ? A 6.753 -1.108 -9.452 1.000 1 A 72.600 1
ATOM 461 H H . ASN 25 25 ? A 5.686 2.633 -8.841 1.000 1 A 72.600 1
ATOM 462 H HA . ASN 25 25 ? A 3.761 0.847 -7.758 1.000 1 A 72.600 1
ATOM 463 H HB2 . ASN 25 25 ? A 6.808 0.846 -7.636 1.000 1 A 72.600 1
ATOM 464 H HB3 . ASN 25 25 ? A 5.799 -0.462 -7.028 1.000 1 A 72.600 1
ATOM 465 H HD21 . ASN 25 25 ? A 7.481 -1.314 -8.783 1.000 1 A 72.600 1
ATOM 466 H HD22 . ASN 25 25 ? A 6.628 -1.639 -10.301 1.000 1 A 72.600 1
ATOM 467 N N . TYR 26 26 ? A 5.447 2.487 -5.422 1.000 1 A 74.850 1
ATOM 468 C CA . TYR 26 26 ? A 5.357 2.910 -4.021 1.000 1 A 74.850 1
ATOM 469 C C . TYR 26 26 ? A 4.036 3.620 -3.716 1.000 1 A 74.850 1
ATOM 470 O O . TYR 26 26 ? A 3.438 3.367 -2.675 1.000 1 A 74.850 1
ATOM 471 C CB . TYR 26 26 ? A 6.543 3.815 -3.658 1.000 1 A 74.850 1
ATOM 472 C CG . TYR 26 26 ? A 7.846 3.066 -3.463 1.000 1 A 74.850 1
ATOM 473 C CD1 . TYR 26 26 ? A 7.962 2.149 -2.401 1.000 1 A 74.850 1
ATOM 474 C CD2 . TYR 26 26 ? A 8.945 3.296 -4.313 1.000 1 A 74.850 1
ATOM 475 C CE1 . TYR 26 26 ? A 9.162 1.441 -2.209 1.000 1 A 74.850 1
ATOM 476 C CE2 . TYR 26 26 ? A 10.145 2.582 -4.131 1.000 1 A 74.850 1
ATOM 477 C CZ . TYR 26 26 ? A 10.252 1.649 -3.077 1.000 1 A 74.850 1
ATOM 478 O OH . TYR 26 26 ? A 11.404 0.959 -2.880 1.000 1 A 74.850 1
ATOM 479 H H . TYR 26 26 ? A 6.213 2.834 -5.980 1.000 1 A 74.850 1
ATOM 480 H HA . TYR 26 26 ? A 5.390 2.025 -3.386 1.000 1 A 74.850 1
ATOM 481 H HB2 . TYR 26 26 ? A 6.661 4.584 -4.421 1.000 1 A 74.850 1
ATOM 482 H HB3 . TYR 26 26 ? A 6.319 4.320 -2.718 1.000 1 A 74.850 1
ATOM 483 H HD1 . TYR 26 26 ? A 7.135 1.989 -1.726 1.000 1 A 74.850 1
ATOM 484 H HD2 . TYR 26 26 ? A 8.871 4.035 -5.097 1.000 1 A 74.850 1
ATOM 485 H HE1 . TYR 26 26 ? A 9.262 0.737 -1.396 1.000 1 A 74.850 1
ATOM 486 H HE2 . TYR 26 26 ? A 10.992 2.760 -4.778 1.000 1 A 74.850 1
ATOM 487 H HH . TYR 26 26 ? A 12.109 1.204 -3.484 1.000 1 A 74.850 1
ATOM 488 N N . LEU 27 27 ? A 3.545 4.458 -4.634 1.000 1 A 78.750 1
ATOM 489 C CA . LEU 27 27 ? A 2.254 5.126 -4.474 1.000 1 A 78.750 1
ATOM 490 C C . LEU 27 27 ? A 1.095 4.122 -4.510 1.000 1 A 78.750 1
ATOM 491 O O . LEU 27 27 ? A 0.212 4.189 -3.663 1.000 1 A 78.750 1
ATOM 492 C CB . LEU 27 27 ? A 2.147 6.239 -5.531 1.000 1 A 78.750 1
ATOM 493 C CG . LEU 27 27 ? A 0.994 7.229 -5.274 1.000 1 A 78.750 1
ATOM 494 C CD1 . LEU 27 27 ? A 1.368 8.598 -5.847 1.000 1 A 78.750 1
ATOM 495 C CD2 . LEU 27 27 ? A -0.316 6.798 -5.940 1.000 1 A 78.750 1
ATOM 496 H H . LEU 27 27 ? A 4.100 4.662 -5.453 1.000 1 A 78.750 1
ATOM 497 H HA . LEU 27 27 ? A 2.239 5.591 -3.488 1.000 1 A 78.750 1
ATOM 498 H HB2 . LEU 27 27 ? A 2.053 5.805 -6.526 1.000 1 A 78.750 1
ATOM 499 H HB3 . LEU 27 27 ? A 3.084 6.796 -5.499 1.000 1 A 78.750 1
ATOM 500 H HG . LEU 27 27 ? A 0.835 7.342 -4.202 1.000 1 A 78.750 1
ATOM 501 H HD11 . LEU 27 27 ? A 0.556 9.302 -5.664 1.000 1 A 78.750 1
ATOM 502 H HD12 . LEU 27 27 ? A 2.260 8.974 -5.348 1.000 1 A 78.750 1
ATOM 503 H HD13 . LEU 27 27 ? A 1.547 8.523 -6.920 1.000 1 A 78.750 1
ATOM 504 H HD21 . LEU 27 27 ? A -0.666 5.856 -5.517 1.000 1 A 78.750 1
ATOM 505 H HD22 . LEU 27 27 ? A -1.085 7.547 -5.752 1.000 1 A 78.750 1
ATOM 506 H HD23 . LEU 27 27 ? A -0.179 6.681 -7.015 1.000 1 A 78.750 1
ATOM 507 N N . ILE 28 28 ? A 1.120 3.158 -5.433 1.000 1 A 82.080 1
ATOM 508 C CA . ILE 28 28 ? A 0.116 2.086 -5.507 1.000 1 A 82.080 1
ATOM 509 C C . ILE 28 28 ? A 0.130 1.251 -4.220 1.000 1 A 82.080 1
ATOM 510 O O . ILE 28 28 ? A -0.926 1.010 -3.642 1.000 1 A 82.080 1
ATOM 511 C CB . ILE 28 28 ? A 0.343 1.220 -6.768 1.000 1 A 82.080 1
ATOM 512 C CG1 . ILE 28 28 ? A 0.042 2.031 -8.050 1.000 1 A 82.080 1
ATOM 513 C CG2 . ILE 28 28 ? A -0.543 -0.040 -6.745 1.000 1 A 82.080 1
ATOM 514 C CD1 . ILE 28 28 ? A 0.647 1.412 -9.318 1.000 1 A 82.080 1
ATOM 515 H H . ILE 28 28 ? A 1.875 3.157 -6.104 1.000 1 A 82.080 1
ATOM 516 H HA . ILE 28 28 ? A -0.874 2.537 -5.576 1.000 1 A 82.080 1
ATOM 517 H HB . ILE 28 28 ? A 1.386 0.903 -6.786 1.000 1 A 82.080 1
ATOM 518 H HG12 . ILE 28 28 ? A -1.037 2.120 -8.176 1.000 1 A 82.080 1
ATOM 519 H HG13 . ILE 28 28 ? A 0.434 3.044 -7.956 1.000 1 A 82.080 1
ATOM 520 H HG21 . ILE 28 28 ? A -0.251 -0.695 -5.925 1.000 1 A 82.080 1
ATOM 521 H HG22 . ILE 28 28 ? A -1.590 0.236 -6.620 1.000 1 A 82.080 1
ATOM 522 H HG23 . ILE 28 28 ? A -0.433 -0.612 -7.667 1.000 1 A 82.080 1
ATOM 523 H HD11 . ILE 28 28 ? A 0.475 2.082 -10.160 1.000 1 A 82.080 1
ATOM 524 H HD12 . ILE 28 28 ? A 0.181 0.451 -9.538 1.000 1 A 82.080 1
ATOM 525 H HD13 . ILE 28 28 ? A 1.720 1.273 -9.190 1.000 1 A 82.080 1
ATOM 526 N N . LEU 29 29 ? A 1.313 0.869 -3.730 1.000 1 A 82.090 1
ATOM 527 C CA . LEU 29 29 ? A 1.472 0.170 -2.453 1.000 1 A 82.090 1
ATOM 528 C C . LEU 29 29 ? A 0.881 0.984 -1.294 1.000 1 A 82.090 1
ATOM 529 O O . LEU 29 29 ? A 0.097 0.443 -0.519 1.000 1 A 82.090 1
ATOM 530 C CB . LEU 29 29 ? A 2.966 -0.148 -2.236 1.000 1 A 82.090 1
ATOM 531 C CG . LEU 29 29 ? A 3.357 -1.528 -2.801 1.000 1 A 82.090 1
ATOM 532 C CD1 . LEU 29 29 ? A 4.775 -1.531 -3.373 1.000 1 A 82.090 1
ATOM 533 C CD2 . LEU 29 29 ? A 3.301 -2.585 -1.697 1.000 1 A 82.090 1
ATOM 534 H H . LEU 29 29 ? A 2.145 1.093 -4.257 1.000 1 A 82.090 1
ATOM 535 H HA . LEU 29 29 ? A 0.910 -0.763 -2.485 1.000 1 A 82.090 1
ATOM 536 H HB2 . LEU 29 29 ? A 3.570 0.631 -2.702 1.000 1 A 82.090 1
ATOM 537 H HB3 . LEU 29 29 ? A 3.193 -0.123 -1.170 1.000 1 A 82.090 1
ATOM 538 H HG . LEU 29 29 ? A 2.673 -1.809 -3.602 1.000 1 A 82.090 1
ATOM 539 H HD11 . LEU 29 29 ? A 5.024 -2.531 -3.729 1.000 1 A 82.090 1
ATOM 540 H HD12 . LEU 29 29 ? A 5.487 -1.234 -2.604 1.000 1 A 82.090 1
ATOM 541 H HD13 . LEU 29 29 ? A 4.838 -0.836 -4.210 1.000 1 A 82.090 1
ATOM 542 H HD21 . LEU 29 29 ? A 2.307 -2.598 -1.250 1.000 1 A 82.090 1
ATOM 543 H HD22 . LEU 29 29 ? A 3.505 -3.570 -2.117 1.000 1 A 82.090 1
ATOM 544 H HD23 . LEU 29 29 ? A 4.039 -2.367 -0.925 1.000 1 A 82.090 1
ATOM 545 N N . ALA 30 30 ? A 1.181 2.282 -1.206 1.000 1 A 80.220 1
ATOM 546 C CA . ALA 30 30 ? A 0.641 3.155 -0.164 1.000 1 A 80.220 1
ATOM 547 C C . ALA 30 30 ? A -0.896 3.252 -0.211 1.000 1 A 80.220 1
ATOM 548 O O . ALA 30 30 ? A -1.546 3.192 0.832 1.000 1 A 80.220 1
ATOM 549 C CB . ALA 30 30 ? A 1.300 4.533 -0.292 1.000 1 A 80.220 1
ATOM 550 H H . ALA 30 30 ? A 1.840 2.675 -1.863 1.000 1 A 80.220 1
ATOM 551 H HA . ALA 30 30 ? A 0.907 2.739 0.808 1.000 1 A 80.220 1
ATOM 552 H HB1 . ALA 30 30 ? A 1.047 4.986 -1.250 1.000 1 A 80.220 1
ATOM 553 H HB2 . ALA 30 30 ? A 0.947 5.181 0.511 1.000 1 A 80.220 1
ATOM 554 H HB3 . ALA 30 30 ? A 2.383 4.434 -0.214 1.000 1 A 80.220 1
ATOM 555 N N . VAL 31 31 ? A -1.485 3.338 -1.409 1.000 1 A 87.000 1
ATOM 556 C CA . VAL 31 31 ? A -2.946 3.358 -1.591 1.000 1 A 87.000 1
ATOM 557 C C . VAL 31 31 ? A -3.576 2.035 -1.151 1.000 1 A 87.000 1
ATOM 558 O O . VAL 31 31 ? A -4.579 2.051 -0.441 1.000 1 A 87.000 1
ATOM 559 C CB . VAL 31 31 ? A -3.313 3.703 -3.049 1.000 1 A 87.000 1
ATOM 560 C CG1 . VAL 31 31 ? A -4.814 3.559 -3.333 1.000 1 A 87.000 1
ATOM 561 C CG2 . VAL 31 31 ? A -2.942 5.157 -3.373 1.000 1 A 87.000 1
ATOM 562 H H . VAL 31 31 ? A -0.895 3.399 -2.226 1.000 1 A 87.000 1
ATOM 563 H HA . VAL 31 31 ? A -3.367 4.131 -0.947 1.000 1 A 87.000 1
ATOM 564 H HB . VAL 31 31 ? A -2.769 3.043 -3.725 1.000 1 A 87.000 1
ATOM 565 H HG11 . VAL 31 31 ? A -5.392 4.151 -2.623 1.000 1 A 87.000 1
ATOM 566 H HG12 . VAL 31 31 ? A -5.118 2.515 -3.254 1.000 1 A 87.000 1
ATOM 567 H HG13 . VAL 31 31 ? A -5.036 3.895 -4.346 1.000 1 A 87.000 1
ATOM 568 H HG21 . VAL 31 31 ? A -3.105 5.352 -4.433 1.000 1 A 87.000 1
ATOM 569 H HG22 . VAL 31 31 ? A -3.557 5.837 -2.784 1.000 1 A 87.000 1
ATOM 570 H HG23 . VAL 31 31 ? A -1.896 5.354 -3.137 1.000 1 A 87.000 1
ATOM 571 N N . ILE 32 32 ? A -2.971 0.894 -1.499 1.000 1 A 87.000 1
ATOM 572 C CA . ILE 32 32 ? A -3.456 -0.431 -1.081 1.000 1 A 87.000 1
ATOM 573 C C . ILE 32 32 ? A -3.412 -0.567 0.447 1.000 1 A 87.000 1
ATOM 574 O O . ILE 32 32 ? A -4.398 -0.995 1.046 1.000 1 A 87.000 1
ATOM 575 C CB . ILE 32 32 ? A -2.660 -1.553 -1.788 1.000 1 A 87.000 1
ATOM 576 C CG1 . ILE 32 32 ? A -2.980 -1.561 -3.302 1.000 1 A 87.000 1
ATOM 577 C CG2 . ILE 32 32 ? A -2.982 -2.936 -1.184 1.000 1 A 87.000 1
ATOM 578 C CD1 . ILE 32 32 ? A -2.009 -2.412 -4.132 1.000 1 A 87.000 1
ATOM 579 H H . ILE 32 32 ? A -2.147 0.944 -2.081 1.000 1 A 87.000 1
ATOM 580 H HA . ILE 32 32 ? A -4.502 -0.524 -1.372 1.000 1 A 87.000 1
ATOM 581 H HB . ILE 32 32 ? A -1.596 -1.361 -1.653 1.000 1 A 87.000 1
ATOM 582 H HG12 . ILE 32 32 ? A -2.942 -0.545 -3.695 1.000 1 A 87.000 1
ATOM 583 H HG13 . ILE 32 32 ? A -3.994 -1.928 -3.456 1.000 1 A 87.000 1
ATOM 584 H HG21 . ILE 32 32 ? A -2.669 -2.982 -0.141 1.000 1 A 87.000 1
ATOM 585 H HG22 . ILE 32 32 ? A -4.052 -3.132 -1.245 1.000 1 A 87.000 1
ATOM 586 H HG23 . ILE 32 32 ? A -2.441 -3.723 -1.711 1.000 1 A 87.000 1
ATOM 587 H HD11 . ILE 32 32 ? A -0.983 -2.097 -3.940 1.000 1 A 87.000 1
ATOM 588 H HD12 . ILE 32 32 ? A -2.118 -3.470 -3.893 1.000 1 A 87.000 1
ATOM 589 H HD13 . ILE 32 32 ? A -2.229 -2.274 -5.190 1.000 1 A 87.000 1
ATOM 590 N N . PHE 33 33 ? A -2.313 -0.159 1.093 1.000 1 A 84.820 1
ATOM 591 C CA . PHE 33 33 ? A -2.209 -0.184 2.557 1.000 1 A 84.820 1
ATOM 592 C C . PHE 33 33 ? A -3.245 0.725 3.227 1.000 1 A 84.820 1
ATOM 593 O O . PHE 33 33 ? A -3.890 0.310 4.191 1.000 1 A 84.820 1
ATOM 594 C CB . PHE 33 33 ? A -0.785 0.190 2.998 1.000 1 A 84.820 1
ATOM 595 C CG . PHE 33 33 ? A 0.196 -0.965 2.941 1.000 1 A 84.820 1
ATOM 596 C CD1 . PHE 33 33 ? A 0.041 -2.053 3.820 1.000 1 A 84.820 1
ATOM 597 C CD2 . PHE 33 33 ? A 1.277 -0.953 2.040 1.000 1 A 84.820 1
ATOM 598 C CE1 . PHE 33 33 ? A 0.943 -3.131 3.780 1.000 1 A 84.820 1
ATOM 599 C CE2 . PHE 33 33 ? A 2.171 -2.036 1.988 1.000 1 A 84.820 1
ATOM 600 C CZ . PHE 33 33 ? A 2.003 -3.127 2.858 1.000 1 A 84.820 1
ATOM 601 H H . PHE 33 33 ? A -1.522 0.163 0.555 1.000 1 A 84.820 1
ATOM 602 H HA . PHE 33 33 ? A -2.422 -1.195 2.903 1.000 1 A 84.820 1
ATOM 603 H HB2 . PHE 33 33 ? A -0.423 1.025 2.398 1.000 1 A 84.820 1
ATOM 604 H HB3 . PHE 33 33 ? A -0.820 0.530 4.033 1.000 1 A 84.820 1
ATOM 605 H HD1 . PHE 33 33 ? A -0.769 -2.061 4.534 1.000 1 A 84.820 1
ATOM 606 H HD2 . PHE 33 33 ? A 1.439 -0.099 1.400 1.000 1 A 84.820 1
ATOM 607 H HE1 . PHE 33 33 ? A 0.822 -3.962 4.459 1.000 1 A 84.820 1
ATOM 608 H HE2 . PHE 33 33 ? A 3.000 -2.021 1.297 1.000 1 A 84.820 1
ATOM 609 H HZ . PHE 33 33 ? A 2.698 -3.954 2.830 1.000 1 A 84.820 1
ATOM 610 N N . PHE 34 34 ? A -3.466 1.930 2.696 1.000 1 A 84.060 1
ATOM 611 C CA . PHE 34 34 ? A -4.486 2.846 3.209 1.000 1 A 84.060 1
ATOM 612 C C . PHE 34 34 ? A -5.907 2.277 3.060 1.000 1 A 84.060 1
ATOM 613 O O . PHE 34 34 ? A -6.727 2.349 3.979 1.000 1 A 84.060 1
ATOM 614 C CB . PHE 34 34 ? A -4.342 4.189 2.485 1.000 1 A 84.060 1
ATOM 615 C CG . PHE 34 34 ? A -5.271 5.252 3.028 1.000 1 A 84.060 1
ATOM 616 C CD1 . PHE 34 34 ? A -6.493 5.526 2.387 1.000 1 A 84.060 1
ATOM 617 C CD2 . PHE 34 34 ? A -4.925 5.945 4.203 1.000 1 A 84.060 1
ATOM 618 C CE1 . PHE 34 34 ? A -7.364 6.494 2.918 1.000 1 A 84.060 1
ATOM 619 C CE2 . PHE 34 34 ? A -5.796 6.912 4.733 1.000 1 A 84.060 1
ATOM 620 C CZ . PHE 34 34 ? A -7.015 7.187 4.091 1.000 1 A 84.060 1
ATOM 621 H H . PHE 34 34 ? A -2.894 2.233 1.921 1.000 1 A 84.060 1
ATOM 622 H HA . PHE 34 34 ? A -4.309 3.006 4.273 1.000 1 A 84.060 1
ATOM 623 H HB2 . PHE 34 34 ? A -3.316 4.541 2.591 1.000 1 A 84.060 1
ATOM 624 H HB3 . PHE 34 34 ? A -4.533 4.053 1.421 1.000 1 A 84.060 1
ATOM 625 H HD1 . PHE 34 34 ? A -6.767 4.992 1.489 1.000 1 A 84.060 1
ATOM 626 H HD2 . PHE 34 34 ? A -3.991 5.732 4.702 1.000 1 A 84.060 1
ATOM 627 H HE1 . PHE 34 34 ? A -8.302 6.704 2.426 1.000 1 A 84.060 1
ATOM 628 H HE2 . PHE 34 34 ? A -5.529 7.442 5.636 1.000 1 A 84.060 1
ATOM 629 H HZ . PHE 34 34 ? A -7.685 7.930 4.498 1.000 1 A 84.060 1
ATOM 630 N N . GLN 35 35 ? A -6.204 1.649 1.923 1.000 1 A 84.550 1
ATOM 631 C CA . GLN 35 35 ? A -7.495 1.010 1.682 1.000 1 A 84.550 1
ATOM 632 C C . GLN 35 35 ? A -7.711 -0.214 2.588 1.000 1 A 84.550 1
ATOM 633 O O . GLN 35 35 ? A -8.815 -0.429 3.091 1.000 1 A 84.550 1
ATOM 634 C CB . GLN 35 35 ? A -7.592 0.671 0.193 1.000 1 A 84.550 1
ATOM 635 C CG . GLN 35 35 ? A -9.004 0.217 -0.196 1.000 1 A 84.550 1
ATOM 636 C CD . GLN 35 35 ? A -9.183 0.079 -1.704 1.000 1 A 84.550 1
ATOM 637 O OE1 . GLN 35 35 ? A -8.350 0.446 -2.515 1.000 1 A 84.550 1
ATOM 638 N NE2 . GLN 35 35 ? A -10.296 -0.457 -2.150 1.000 1 A 84.550 1
ATOM 639 H H . GLN 35 35 ? A -5.515 1.632 1.184 1.000 1 A 84.550 1
ATOM 640 H HA . GLN 35 35 ? A -8.280 1.733 1.906 1.000 1 A 84.550 1
ATOM 641 H HB2 . GLN 35 35 ? A -6.871 -0.105 -0.063 1.000 1 A 84.550 1
ATOM 642 H HB3 . GLN 35 35 ? A -7.351 1.570 -0.375 1.000 1 A 84.550 1
ATOM 643 H HG2 . GLN 35 35 ? A -9.216 -0.745 0.271 1.000 1 A 84.550 1
ATOM 644 H HG3 . GLN 35 35 ? A -9.732 0.943 0.167 1.000 1 A 84.550 1
ATOM 645 H HE21 . GLN 35 35 ? A -11.023 -0.750 -1.513 1.000 1 A 84.550 1
ATOM 646 H HE22 . GLN 35 35 ? A -10.379 -0.512 -3.155 1.000 1 A 84.550 1
ATOM 647 N N . LEU 36 36 ? A -6.659 -0.993 2.857 1.000 1 A 82.300 1
ATOM 648 C CA . LEU 36 36 ? A -6.721 -2.114 3.794 1.000 1 A 82.300 1
ATOM 649 C C . LEU 36 36 ? A -6.991 -1.628 5.228 1.000 1 A 82.300 1
ATOM 650 O O . LEU 36 36 ? A -7.871 -2.168 5.899 1.000 1 A 82.300 1
ATOM 651 C CB . LEU 36 36 ? A -5.413 -2.921 3.700 1.000 1 A 82.300 1
ATOM 652 C CG . LEU 36 36 ? A -5.524 -4.319 4.335 1.000 1 A 82.300 1
ATOM 653 C CD1 . LEU 36 36 ? A -6.266 -5.292 3.411 1.000 1 A 82.300 1
ATOM 654 C CD2 . LEU 36 36 ? A -4.132 -4.885 4.603 1.000 1 A 82.300 1
ATOM 655 H H . LEU 36 36 ? A -5.786 -0.807 2.384 1.000 1 A 82.300 1
ATOM 656 H HA . LEU 36 36 ? A -7.556 -2.751 3.501 1.000 1 A 82.300 1
ATOM 657 H HB2 . LEU 36 36 ? A -4.624 -2.359 4.198 1.000 1 A 82.300 1
ATOM 658 H HB3 . LEU 36 36 ? A -5.127 -3.037 2.655 1.000 1 A 82.300 1
ATOM 659 H HG . LEU 36 36 ? A -6.054 -4.256 5.286 1.000 1 A 82.300 1
ATOM 660 H HD11 . LEU 36 36 ? A -7.284 -4.944 3.238 1.000 1 A 82.300 1
ATOM 661 H HD12 . LEU 36 36 ? A -6.308 -6.275 3.878 1.000 1 A 82.300 1
ATOM 662 H HD13 . LEU 36 36 ? A -5.744 -5.372 2.457 1.000 1 A 82.300 1
ATOM 663 H HD21 . LEU 36 36 ? A -4.213 -5.882 5.036 1.000 1 A 82.300 1
ATOM 664 H HD22 . LEU 36 36 ? A -3.608 -4.243 5.312 1.000 1 A 82.300 1
ATOM 665 H HD23 . LEU 36 36 ? A -3.561 -4.937 3.676 1.000 1 A 82.300 1
ATOM 666 N N . ALA 37 37 ? A -6.301 -0.569 5.663 1.000 1 A 79.790 1
ATOM 667 C CA . ALA 37 37 ? A -6.484 0.024 6.986 1.000 1 A 79.790 1
ATOM 668 C C . ALA 37 37 ? A -7.905 0.581 7.177 1.000 1 A 79.790 1
ATOM 669 O O . ALA 37 37 ? A -8.563 0.297 8.176 1.000 1 A 79.790 1
ATOM 670 C CB . ALA 37 37 ? A -5.417 1.110 7.179 1.000 1 A 79.790 1
ATOM 671 H H . ALA 37 37 ? A -5.574 -0.192 5.072 1.000 1 A 79.790 1
ATOM 672 H HA . ALA 37 37 ? A -6.331 -0.747 7.741 1.000 1 A 79.790 1
ATOM 673 H HB1 . ALA 37 37 ? A -5.514 1.543 8.174 1.000 1 A 79.790 1
ATOM 674 H HB2 . ALA 37 37 ? A -4.424 0.671 7.082 1.000 1 A 79.790 1
ATOM 675 H HB3 . ALA 37 37 ? A -5.535 1.896 6.433 1.000 1 A 79.790 1
ATOM 676 N N . THR 38 38 ? A -8.434 1.313 6.190 1.000 1 A 78.340 1
ATOM 677 C CA . THR 38 38 ? A -9.808 1.847 6.250 1.000 1 A 78.340 1
ATOM 678 C C . THR 38 38 ? A -10.870 0.738 6.226 1.000 1 A 78.340 1
ATOM 679 O O . THR 38 38 ? A -11.882 0.831 6.925 1.000 1 A 78.340 1
ATOM 680 C CB . THR 38 38 ? A -10.074 2.862 5.128 1.000 1 A 78.340 1
ATOM 681 O OG1 . THR 38 38 ? A -9.730 2.329 3.876 1.000 1 A 78.340 1
ATOM 682 C CG2 . THR 38 38 ? A -9.267 4.149 5.291 1.000 1 A 78.340 1
ATOM 683 H H . THR 38 38 ? A -7.857 1.524 5.389 1.000 1 A 78.340 1
ATOM 684 H HA . THR 38 38 ? A -9.932 2.368 7.199 1.000 1 A 78.340 1
ATOM 685 H HB . THR 38 38 ? A -11.134 3.117 5.129 1.000 1 A 78.340 1
ATOM 686 H HG1 . THR 38 38 ? A -8.776 2.399 3.803 1.000 1 A 78.340 1
ATOM 687 H HG21 . THR 38 38 ? A -9.549 4.640 6.222 1.000 1 A 78.340 1
ATOM 688 H HG22 . THR 38 38 ? A -8.196 3.945 5.314 1.000 1 A 78.340 1
ATOM 689 H HG23 . THR 38 38 ? A -9.484 4.824 4.463 1.000 1 A 78.340 1
ATOM 690 N N . SER 39 39 ? A -10.630 -0.360 5.502 1.000 1 A 74.870 1
ATOM 691 C CA . SER 39 39 ? A -11.502 -1.545 5.513 1.000 1 A 74.870 1
ATOM 692 C C . SER 39 39 ? A -11.538 -2.244 6.880 1.000 1 A 74.870 1
ATOM 693 O O . SER 39 39 ? A -12.593 -2.701 7.321 1.000 1 A 74.870 1
ATOM 694 C CB . SER 39 39 ? A -11.045 -2.517 4.424 1.000 1 A 74.870 1
ATOM 695 O OG . SER 39 39 ? A -11.960 -3.590 4.265 1.000 1 A 74.870 1
ATOM 696 H H . SER 39 39 ? A -9.820 -0.361 4.899 1.000 1 A 74.870 1
ATOM 697 H HA . SER 39 39 ? A -12.519 -1.234 5.271 1.000 1 A 74.870 1
ATOM 698 H HB2 . SER 39 39 ? A -10.978 -1.976 3.480 1.000 1 A 74.870 1
ATOM 699 H HB3 . SER 39 39 ? A -10.059 -2.911 4.669 1.000 1 A 74.870 1
ATOM 700 H HG . SER 39 39 ? A -11.961 -3.815 3.332 1.000 1 A 74.870 1
ATOM 701 N N . GLN 40 40 ? A -10.415 -2.295 7.600 1.000 1 A 72.700 1
ATOM 702 C CA . GLN 40 40 ? A -10.385 -2.845 8.960 1.000 1 A 72.700 1
ATOM 703 C C . GLN 40 40 ? A -11.142 -1.952 9.949 1.000 1 A 72.700 1
ATOM 704 O O . GLN 40 40 ? A -12.032 -2.434 10.651 1.000 1 A 72.700 1
ATOM 705 C CB . GLN 40 40 ? A -8.935 -3.074 9.399 1.000 1 A 72.700 1
ATOM 706 C CG . GLN 40 40 ? A -8.320 -4.279 8.673 1.000 1 A 72.700 1
ATOM 707 C CD . GLN 40 40 ? A -6.893 -4.559 9.127 1.000 1 A 72.700 1
ATOM 708 O OE1 . GLN 40 40 ? A -6.118 -3.677 9.445 1.000 1 A 72.700 1
ATOM 709 N NE2 . GLN 40 40 ? A -6.473 -5.805 9.158 1.000 1 A 72.700 1
ATOM 710 H H . GLN 40 40 ? A -9.559 -1.928 7.210 1.000 1 A 72.700 1
ATOM 711 H HA . GLN 40 40 ? A -10.897 -3.808 8.966 1.000 1 A 72.700 1
ATOM 712 H HB2 . GLN 40 40 ? A -8.344 -2.178 9.207 1.000 1 A 72.700 1
ATOM 713 H HB3 . GLN 40 40 ? A -8.918 -3.275 10.471 1.000 1 A 72.700 1
ATOM 714 H HG2 . GLN 40 40 ? A -8.930 -5.159 8.874 1.000 1 A 72.700 1
ATOM 715 H HG3 . GLN 40 40 ? A -8.309 -4.110 7.596 1.000 1 A 72.700 1
ATOM 716 H HE21 . GLN 40 40 ? A -5.533 -5.921 9.511 1.000 1 A 72.700 1
ATOM 717 H HE22 . GLN 40 40 ? A -7.089 -6.579 8.955 1.000 1 A 72.700 1
ATOM 718 N N . VAL 41 41 ? A -10.878 -0.642 9.930 1.000 1 A 66.910 1
ATOM 719 C CA . VAL 41 41 ? A -11.536 0.323 10.828 1.000 1 A 66.910 1
ATOM 720 C C . VAL 41 41 ? A -13.054 0.340 10.621 1.000 1 A 66.910 1
ATOM 721 O O . VAL 41 41 ? A -13.818 0.374 11.584 1.000 1 A 66.910 1
ATOM 722 C CB . VAL 41 41 ? A -10.931 1.727 10.633 1.000 1 A 66.910 1
ATOM 723 C CG1 . VAL 41 41 ? A -11.664 2.799 11.449 1.000 1 A 66.910 1
ATOM 724 C CG2 . VAL 41 41 ? A -9.461 1.758 11.070 1.000 1 A 66.910 1
ATOM 725 H H . VAL 41 41 ? A -10.121 -0.318 9.345 1.000 1 A 66.910 1
ATOM 726 H HA . VAL 41 41 ? A -11.358 0.016 11.859 1.000 1 A 66.910 1
ATOM 727 H HB . VAL 41 41 ? A -10.988 1.997 9.579 1.000 1 A 66.910 1
ATOM 728 H HG11 . VAL 41 41 ? A -12.676 2.936 11.068 1.000 1 A 66.910 1
ATOM 729 H HG12 . VAL 41 41 ? A -11.140 3.752 11.365 1.000 1 A 66.910 1
ATOM 730 H HG13 . VAL 41 41 ? A -11.706 2.506 12.498 1.000 1 A 66.910 1
ATOM 731 H HG21 . VAL 41 41 ? A -8.878 1.001 10.546 1.000 1 A 66.910 1
ATOM 732 H HG22 . VAL 41 41 ? A -9.387 1.560 12.139 1.000 1 A 66.910 1
ATOM 733 H HG23 . VAL 41 41 ? A -9.028 2.735 10.856 1.000 1 A 66.910 1
ATOM 734 N N . THR 42 42 ? A -13.526 0.262 9.374 1.000 1 A 65.240 1
ATOM 735 C CA . THR 42 42 ? A -14.972 0.237 9.084 1.000 1 A 65.240 1
ATOM 736 C C . THR 42 42 ? A -15.657 -1.025 9.609 1.000 1 A 65.240 1
ATOM 737 O O . THR 42 42 ? A -16.773 -0.936 10.127 1.000 1 A 65.240 1
ATOM 738 C CB . THR 42 42 ? A -15.272 0.398 7.589 1.000 1 A 65.240 1
ATOM 739 O OG1 . THR 42 42 ? A -14.490 -0.471 6.815 1.000 1 A 65.240 1
ATOM 740 C CG2 . THR 42 42 ? A -14.999 1.817 7.100 1.000 1 A 65.240 1
ATOM 741 H H . THR 42 42 ? A -12.867 0.240 8.610 1.000 1 A 65.240 1
ATOM 742 H HA . THR 42 42 ? A -15.439 1.074 9.603 1.000 1 A 65.240 1
ATOM 743 H HB . THR 42 42 ? A -16.324 0.172 7.413 1.000 1 A 65.240 1
ATOM 744 H HG1 . THR 42 42 ? A -13.616 -0.080 6.754 1.000 1 A 65.240 1
ATOM 745 H HG21 . THR 42 42 ? A -13.993 2.139 7.369 1.000 1 A 65.240 1
ATOM 746 H HG22 . THR 42 42 ? A -15.117 1.861 6.017 1.000 1 A 65.240 1
ATOM 747 H HG23 . THR 42 42 ? A -15.715 2.500 7.557 1.000 1 A 65.240 1
ATOM 748 N N . LYS 43 43 ? A -14.996 -2.188 9.553 1.000 1 A 66.280 1
ATOM 749 C CA . LYS 43 43 ? A -15.520 -3.429 10.147 1.000 1 A 66.280 1
ATOM 750 C C . LYS 43 43 ? A -15.604 -3.338 11.667 1.000 1 A 66.280 1
ATOM 751 O O . LYS 43 43 ? A -16.627 -3.717 12.237 1.000 1 A 66.280 1
ATOM 752 C CB . LYS 43 43 ? A -14.660 -4.626 9.724 1.000 1 A 66.280 1
ATOM 753 C CG . LYS 43 43 ? A -14.888 -4.993 8.254 1.000 1 A 66.280 1
ATOM 754 C CD . LYS 43 43 ? A -13.960 -6.142 7.852 1.000 1 A 66.280 1
ATOM 755 C CE . LYS 43 43 ? A -14.136 -6.449 6.364 1.000 1 A 66.280 1
ATOM 756 N NZ . LYS 43 43 ? A -13.270 -7.576 5.943 1.000 1 A 66.280 1
ATOM 757 H H . LYS 43 43 ? A -14.085 -2.198 9.117 1.000 1 A 66.280 1
ATOM 758 H HA . LYS 43 43 ? A -16.541 -3.586 9.799 1.000 1 A 66.280 1
ATOM 759 H HB2 . LYS 43 43 ? A -13.608 -4.397 9.892 1.000 1 A 66.280 1
ATOM 760 H HB3 . LYS 43 43 ? A -14.925 -5.486 10.340 1.000 1 A 66.280 1
ATOM 761 H HG2 . LYS 43 43 ? A -15.925 -5.300 8.115 1.000 1 A 66.280 1
ATOM 762 H HG3 . LYS 43 43 ? A -14.694 -4.129 7.618 1.000 1 A 66.280 1
ATOM 763 H HD2 . LYS 43 43 ? A -12.928 -5.845 8.042 1.000 1 A 66.280 1
ATOM 764 H HD3 . LYS 43 43 ? A -14.198 -7.022 8.449 1.000 1 A 66.280 1
ATOM 765 H HE2 . LYS 43 43 ? A -13.884 -5.549 5.802 1.000 1 A 66.280 1
ATOM 766 H HE3 . LYS 43 43 ? A -15.184 -6.681 6.175 1.000 1 A 66.280 1
ATOM 767 H HZ1 . LYS 43 43 ? A -13.487 -8.410 6.470 1.000 1 A 66.280 1
ATOM 768 H HZ2 . LYS 43 43 ? A -12.301 -7.336 6.101 1.000 1 A 66.280 1
ATOM 769 H HZ3 . LYS 43 43 ? A -13.392 -7.766 4.959 1.000 1 A 66.280 1
ATOM 770 N N . GLU 44 44 ? A -14.578 -2.796 12.318 1.000 1 A 66.020 1
ATOM 771 C CA . GLU 44 44 ? A -14.581 -2.614 13.774 1.000 1 A 66.020 1
ATOM 772 C C . GLU 44 44 ? A -15.669 -1.635 14.229 1.000 1 A 66.020 1
ATOM 773 O O . GLU 44 44 ? A -16.419 -1.925 15.168 1.000 1 A 66.020 1
ATOM 774 C CB . GLU 44 44 ? A -13.209 -2.139 14.256 1.000 1 A 66.020 1
ATOM 775 C CG . GLU 44 44 ? A -12.162 -3.254 14.140 1.000 1 A 66.020 1
ATOM 776 C CD . GLU 44 44 ? A -10.839 -2.903 14.832 1.000 1 A 66.020 1
ATOM 777 O OE1 . GLU 44 44 ? A -9.972 -3.802 14.855 1.000 1 A 66.020 1
ATOM 778 O OE2 . GLU 44 44 ? A -10.720 -1.766 15.343 1.000 1 A 66.020 1
ATOM 779 H H . GLU 44 44 ? A -13.752 -2.531 11.802 1.000 1 A 66.020 1
ATOM 780 H HA . GLU 44 44 ? A -14.794 -3.568 14.255 1.000 1 A 66.020 1
ATOM 781 H HB2 . GLU 44 44 ? A -12.894 -1.266 13.685 1.000 1 A 66.020 1
ATOM 782 H HB3 . GLU 44 44 ? A -13.307 -1.858 15.304 1.000 1 A 66.020 1
ATOM 783 H HG2 . GLU 44 44 ? A -12.567 -4.156 14.598 1.000 1 A 66.020 1
ATOM 784 H HG3 . GLU 44 44 ? A -11.977 -3.470 13.087 1.000 1 A 66.020 1
ATOM 785 N N . LEU 45 45 ? A -15.836 -0.518 13.514 1.000 1 A 61.940 1
ATOM 786 C CA . LEU 45 45 ? A -16.900 0.450 13.781 1.000 1 A 61.940 1
ATOM 787 C C . LEU 45 45 ? A -18.290 -0.167 13.597 1.000 1 A 61.940 1
ATOM 788 O O . LEU 45 45 ? A -19.168 0.046 14.435 1.000 1 A 61.940 1
ATOM 789 C CB . LEU 45 45 ? A -16.720 1.677 12.871 1.000 1 A 61.940 1
ATOM 790 C CG . LEU 45 45 ? A -15.564 2.606 13.286 1.000 1 A 61.940 1
ATOM 791 C CD1 . LEU 45 45 ? A -15.326 3.634 12.180 1.000 1 A 61.940 1
ATOM 792 C CD2 . LEU 45 45 ? A -15.881 3.366 14.578 1.000 1 A 61.940 1
ATOM 793 H H . LEU 45 45 ? A -15.163 -0.316 12.788 1.000 1 A 61.940 1
ATOM 794 H HA . LEU 45 45 ? A -16.834 0.759 14.824 1.000 1 A 61.940 1
ATOM 795 H HB2 . LEU 45 45 ? A -17.642 2.258 12.873 1.000 1 A 61.940 1
ATOM 796 H HB3 . LEU 45 45 ? A -16.554 1.329 11.852 1.000 1 A 61.940 1
ATOM 797 H HG . LEU 45 45 ? A -14.651 2.030 13.433 1.000 1 A 61.940 1
ATOM 798 H HD11 . LEU 45 45 ? A -16.217 4.242 12.027 1.000 1 A 61.940 1
ATOM 799 H HD12 . LEU 45 45 ? A -15.075 3.118 11.253 1.000 1 A 61.940 1
ATOM 800 H HD13 . LEU 45 45 ? A -14.490 4.278 12.453 1.000 1 A 61.940 1
ATOM 801 H HD21 . LEU 45 45 ? A -16.805 3.934 14.468 1.000 1 A 61.940 1
ATOM 802 H HD22 . LEU 45 45 ? A -15.063 4.052 14.801 1.000 1 A 61.940 1
ATOM 803 H HD23 . LEU 45 45 ? A -15.970 2.670 15.412 1.000 1 A 61.940 1
ATOM 804 N N . HIS 46 46 ? A -18.495 -0.970 12.549 1.000 1 A 68.320 1
ATOM 805 C CA . HIS 46 46 ? A -19.776 -1.631 12.302 1.000 1 A 68.320 1
ATOM 806 C C . HIS 46 46 ? A -20.114 -2.654 13.400 1.000 1 A 68.320 1
ATOM 807 O O . HIS 46 46 ? A -21.235 -2.660 13.917 1.000 1 A 68.320 1
ATOM 808 C CB . HIS 46 46 ? A -19.755 -2.261 10.905 1.000 1 A 68.320 1
ATOM 809 C CG . HIS 46 46 ? A -21.118 -2.703 10.444 1.000 1 A 68.320 1
ATOM 810 N ND1 . HIS 46 46 ? A -21.596 -3.991 10.429 1.000 1 A 68.320 1
ATOM 811 C CD2 . HIS 46 46 ? A -22.098 -1.902 9.923 1.000 1 A 68.320 1
ATOM 812 C CE1 . HIS 46 46 ? A -22.826 -3.967 9.888 1.000 1 A 68.320 1
ATOM 813 N NE2 . HIS 46 46 ? A -23.190 -2.711 9.595 1.000 1 A 68.320 1
ATOM 814 H H . HIS 46 46 ? A -17.747 -1.094 11.882 1.000 1 A 68.320 1
ATOM 815 H HA . HIS 46 46 ? A -20.557 -0.871 12.316 1.000 1 A 68.320 1
ATOM 816 H HB2 . HIS 46 46 ? A -19.387 -1.525 10.190 1.000 1 A 68.320 1
ATOM 817 H HB3 . HIS 46 46 ? A -19.071 -3.110 10.894 1.000 1 A 68.320 1
ATOM 818 H HD1 . HIS 46 46 ? A -21.083 -4.818 10.698 1.000 1 A 68.320 1
ATOM 819 H HD2 . HIS 46 46 ? A -22.033 -0.833 9.779 1.000 1 A 68.320 1
ATOM 820 H HE1 . HIS 46 46 ? A -23.437 -4.836 9.695 1.000 1 A 68.320 1
ATOM 821 N N . CYS 47 47 ? A -19.141 -3.464 13.830 1.000 1 A 65.400 1
ATOM 822 C CA . CYS 47 47 ? A -19.308 -4.399 14.947 1.000 1 A 65.400 1
ATOM 823 C C . CYS 47 47 ? A -19.624 -3.671 16.262 1.000 1 A 65.400 1
ATOM 824 O O . CYS 47 47 ? A -20.564 -4.045 16.969 1.000 1 A 65.400 1
ATOM 825 C CB . CYS 47 47 ? A -18.039 -5.251 15.078 1.000 1 A 65.400 1
ATOM 826 S SG . CYS 47 47 ? A -18.003 -6.481 13.745 1.000 1 A 65.400 1
ATOM 827 H H . CYS 47 47 ? A -18.245 -3.437 13.364 1.000 1 A 65.400 1
ATOM 828 H HA . CYS 47 47 ? A -20.150 -5.060 14.740 1.000 1 A 65.400 1
ATOM 829 H HB2 . CYS 47 47 ? A -17.157 -4.613 15.020 1.000 1 A 65.400 1
ATOM 830 H HB3 . CYS 47 47 ? A -18.038 -5.769 16.037 1.000 1 A 65.400 1
ATOM 831 H HG . CYS 47 47 ? A -16.753 -6.904 13.956 1.000 1 A 65.400 1
ATOM 832 N N . SER 48 48 ? A -18.896 -2.591 16.561 1.000 1 A 69.470 1
ATOM 833 C CA . SER 48 48 ? A -19.129 -1.759 17.747 1.000 1 A 69.470 1
ATOM 834 C C . SER 48 48 ? A -20.525 -1.121 17.735 1.000 1 A 69.470 1
ATOM 835 O O . SER 48 48 ? A -21.240 -1.133 18.742 1.000 1 A 69.470 1
ATOM 836 C CB . SER 48 48 ? A -18.034 -0.693 17.821 1.000 1 A 69.470 1
ATOM 837 O OG . SER 48 48 ? A -18.144 0.071 19.007 1.000 1 A 69.470 1
ATOM 838 H H . SER 48 48 ? A -18.126 -2.350 15.953 1.000 1 A 69.470 1
ATOM 839 H HA . SER 48 48 ? A -19.054 -2.384 18.637 1.000 1 A 69.470 1
ATOM 840 H HB2 . SER 48 48 ? A -18.100 -0.034 16.955 1.000 1 A 69.470 1
ATOM 841 H HB3 . SER 48 48 ? A -17.062 -1.186 17.808 1.000 1 A 69.470 1
ATOM 842 H HG . SER 48 48 ? A -17.290 0.489 19.138 1.000 1 A 69.470 1
ATOM 843 N N . PHE 49 49 ? A -20.976 -0.638 16.574 1.000 1 A 69.310 1
ATOM 844 C CA . PHE 49 49 ? A -22.303 -0.047 16.412 1.000 1 A 69.310 1
ATOM 845 C C . PHE 49 49 ? A -23.433 -1.072 16.591 1.000 1 A 69.310 1
ATOM 846 O O . PHE 49 49 ? A -24.425 -0.788 17.271 1.000 1 A 69.310 1
ATOM 847 C CB . PHE 49 49 ? A -22.372 0.634 15.043 1.000 1 A 69.310 1
ATOM 848 C CG . PHE 49 49 ? A -23.616 1.474 14.855 1.000 1 A 69.310 1
ATOM 849 C CD1 . PHE 49 49 ? A -24.675 1.007 14.056 1.000 1 A 69.310 1
ATOM 850 C CD2 . PHE 49 49 ? A -23.692 2.748 15.447 1.000 1 A 69.310 1
ATOM 851 C CE1 . PHE 49 49 ? A -25.789 1.831 13.822 1.000 1 A 69.310 1
ATOM 852 C CE2 . PHE 49 49 ? A -24.818 3.560 15.233 1.000 1 A 69.310 1
ATOM 853 C CZ . PHE 49 49 ? A -25.863 3.107 14.411 1.000 1 A 69.310 1
ATOM 854 H H . PHE 49 49 ? A -20.349 -0.627 15.782 1.000 1 A 69.310 1
ATOM 855 H HA . PHE 49 49 ? A -22.432 0.717 17.179 1.000 1 A 69.310 1
ATOM 856 H HB2 . PHE 49 49 ? A -22.314 -0.119 14.258 1.000 1 A 69.310 1
ATOM 857 H HB3 . PHE 49 49 ? A -21.508 1.289 14.931 1.000 1 A 69.310 1
ATOM 858 H HD1 . PHE 49 49 ? A -24.599 0.045 13.572 1.000 1 A 69.310 1
ATOM 859 H HD2 . PHE 49 49 ? A -22.869 3.116 16.041 1.000 1 A 69.310 1
ATOM 860 H HE1 . PHE 49 49 ? A -26.548 1.504 13.126 1.000 1 A 69.310 1
ATOM 861 H HE2 . PHE 49 49 ? A -24.854 4.552 15.659 1.000 1 A 69.310 1
ATOM 862 H HZ . PHE 49 49 ? A -26.691 3.766 14.195 1.000 1 A 69.310 1
ATOM 863 N N . ILE 50 50 ? A -23.275 -2.286 16.048 1.000 1 A 69.220 1
ATOM 864 C CA . ILE 50 50 ? A -24.230 -3.387 16.251 1.000 1 A 69.220 1
ATOM 865 C C . ILE 50 50 ? A -24.303 -3.777 17.731 1.000 1 A 69.220 1
ATOM 866 O O . ILE 50 50 ? A -25.405 -3.926 18.267 1.000 1 A 69.220 1
ATOM 867 C CB . ILE 50 50 ? A -23.880 -4.600 15.357 1.000 1 A 69.220 1
ATOM 868 C CG1 . ILE 50 50 ? A -24.170 -4.260 13.879 1.000 1 A 69.220 1
ATOM 869 C CG2 . ILE 50 50 ? A -24.698 -5.845 15.772 1.000 1 A 69.220 1
ATOM 870 C CD1 . ILE 50 50 ? A -23.613 -5.290 12.891 1.000 1 A 69.220 1
ATOM 871 H H . ILE 50 50 ? A -22.455 -2.453 15.482 1.000 1 A 69.220 1
ATOM 872 H HA . ILE 50 50 ? A -25.224 -3.037 15.969 1.000 1 A 69.220 1
ATOM 873 H HB . ILE 50 50 ? A -22.820 -4.827 15.470 1.000 1 A 69.220 1
ATOM 874 H HG12 . ILE 50 50 ? A -25.248 -4.185 13.735 1.000 1 A 69.220 1
ATOM 875 H HG13 . ILE 50 50 ? A -23.740 -3.292 13.624 1.000 1 A 69.220 1
ATOM 876 H HG21 . ILE 50 50 ? A -24.450 -6.147 16.790 1.000 1 A 69.220 1
ATOM 877 H HG22 . ILE 50 50 ? A -24.456 -6.699 15.139 1.000 1 A 69.220 1
ATOM 878 H HG23 . ILE 50 50 ? A -25.765 -5.634 15.703 1.000 1 A 69.220 1
ATOM 879 H HD11 . ILE 50 50 ? A -23.963 -6.298 13.112 1.000 1 A 69.220 1
ATOM 880 H HD12 . ILE 50 50 ? A -22.523 -5.270 12.908 1.000 1 A 69.220 1
ATOM 881 H HD13 . ILE 50 50 ? A -23.977 -5.039 11.894 1.000 1 A 69.220 1
ATOM 882 N N . LEU 51 51 ? A -23.158 -3.910 18.408 1.000 1 A 65.920 1
ATOM 883 C CA . LEU 51 51 ? A -23.104 -4.245 19.834 1.000 1 A 65.920 1
ATOM 884 C C . LEU 51 51 ? A -23.794 -3.176 20.691 1.000 1 A 65.920 1
ATOM 885 O O . LEU 51 51 ? A -24.625 -3.515 21.536 1.000 1 A 65.920 1
ATOM 886 C CB . LEU 51 51 ? A -21.639 -4.453 20.256 1.000 1 A 65.920 1
ATOM 887 C CG . LEU 51 51 ? A -21.065 -5.816 19.828 1.000 1 A 65.920 1
ATOM 888 C CD1 . LEU 51 51 ? A -19.542 -5.799 19.936 1.000 1 A 65.920 1
ATOM 889 C CD2 . LEU 51 51 ? A -21.593 -6.950 20.714 1.000 1 A 65.920 1
ATOM 890 H H . LEU 51 51 ? A -22.286 -3.795 17.911 1.000 1 A 65.920 1
ATOM 891 H HA . LEU 51 51 ? A -23.656 -5.171 19.999 1.000 1 A 65.920 1
ATOM 892 H HB2 . LEU 51 51 ? A -21.560 -4.372 21.341 1.000 1 A 65.920 1
ATOM 893 H HB3 . LEU 51 51 ? A -21.034 -3.654 19.826 1.000 1 A 65.920 1
ATOM 894 H HG . LEU 51 51 ? A -21.336 -6.022 18.793 1.000 1 A 65.920 1
ATOM 895 H HD11 . LEU 51 51 ? A -19.137 -6.763 19.627 1.000 1 A 65.920 1
ATOM 896 H HD12 . LEU 51 51 ? A -19.135 -5.029 19.280 1.000 1 A 65.920 1
ATOM 897 H HD13 . LEU 51 51 ? A -19.236 -5.595 20.962 1.000 1 A 65.920 1
ATOM 898 H HD21 . LEU 51 51 ? A -21.149 -7.893 20.397 1.000 1 A 65.920 1
ATOM 899 H HD22 . LEU 51 51 ? A -21.321 -6.769 21.754 1.000 1 A 65.920 1
ATOM 900 H HD23 . LEU 51 51 ? A -22.677 -7.030 20.631 1.000 1 A 65.920 1
ATOM 901 N N . ARG 52 52 ? A -23.550 -1.887 20.415 1.000 1 A 67.330 1
ATOM 902 C CA . ARG 52 52 ? A -24.244 -0.777 21.095 1.000 1 A 67.330 1
ATOM 903 C C . ARG 52 52 ? A -25.755 -0.807 20.867 1.000 1 A 67.330 1
ATOM 904 O O . ARG 52 52 ? A -26.517 -0.649 21.820 1.000 1 A 67.330 1
ATOM 905 C CB . ARG 52 52 ? A -23.657 0.573 20.657 1.000 1 A 67.330 1
ATOM 906 C CG . ARG 52 52 ? A -22.326 0.873 21.360 1.000 1 A 67.330 1
ATOM 907 C CD . ARG 52 52 ? A -21.806 2.252 20.938 1.000 1 A 67.330 1
ATOM 908 N NE . ARG 52 52 ? A -20.530 2.574 21.607 1.000 1 A 67.330 1
ATOM 909 C CZ . ARG 52 52 ? A -20.167 3.727 22.147 1.000 1 A 67.330 1
ATOM 910 N NH1 . ARG 52 52 ? A -20.941 4.779 22.152 1.000 1 A 67.330 1
ATOM 911 N NH2 . ARG 52 52 ? A -18.994 3.852 22.700 1.000 1 A 67.330 1
ATOM 912 H H . ARG 52 52 ? A -22.838 -1.678 19.731 1.000 1 A 67.330 1
ATOM 913 H HA . ARG 52 52 ? A -24.113 -0.885 22.171 1.000 1 A 67.330 1
ATOM 914 H HB2 . ARG 52 52 ? A -24.361 1.361 20.921 1.000 1 A 67.330 1
ATOM 915 H HB3 . ARG 52 52 ? A -23.518 0.584 19.576 1.000 1 A 67.330 1
ATOM 916 H HG2 . ARG 52 52 ? A -21.591 0.112 21.098 1.000 1 A 67.330 1
ATOM 917 H HG3 . ARG 52 52 ? A -22.477 0.862 22.440 1.000 1 A 67.330 1
ATOM 918 H HD2 . ARG 52 52 ? A -22.566 2.995 21.178 1.000 1 A 67.330 1
ATOM 919 H HD3 . ARG 52 52 ? A -21.648 2.251 19.860 1.000 1 A 67.330 1
ATOM 920 H HE . ARG 52 52 ? A -19.839 1.837 21.615 1.000 1 A 67.330 1
ATOM 921 H HH11 . ARG 52 52 ? A -21.848 4.729 21.711 1.000 1 A 67.330 1
ATOM 922 H HH12 . ARG 52 52 ? A -20.625 5.642 22.572 1.000 1 A 67.330 1
ATOM 923 H HH21 . ARG 52 52 ? A -18.350 3.074 22.720 1.000 1 A 67.330 1
ATOM 924 H HH22 . ARG 52 52 ? A -18.708 4.733 23.103 1.000 1 A 67.330 1
ATOM 925 N N . LYS 53 53 ? A -26.214 -1.063 19.635 1.000 1 A 67.470 1
ATOM 926 C CA . LYS 53 53 ? A -27.654 -1.203 19.349 1.000 1 A 67.470 1
ATOM 927 C C . LYS 53 53 ? A -28.283 -2.374 20.108 1.000 1 A 67.470 1
ATOM 928 O O . LYS 53 53 ? A -29.379 -2.214 20.645 1.000 1 A 67.470 1
ATOM 929 C CB . LYS 53 53 ? A -27.911 -1.323 17.837 1.000 1 A 67.470 1
ATOM 930 C CG . LYS 53 53 ? A -27.967 0.051 17.150 1.000 1 A 67.470 1
ATOM 931 C CD . LYS 53 53 ? A -28.508 -0.071 15.716 1.000 1 A 67.470 1
ATOM 932 C CE . LYS 53 53 ? A -28.785 1.319 15.130 1.000 1 A 67.470 1
ATOM 933 N NZ . LYS 53 53 ? A -29.334 1.252 13.748 1.000 1 A 67.470 1
ATOM 934 H H . LYS 53 53 ? A -25.542 -1.160 18.887 1.000 1 A 67.470 1
ATOM 935 H HA . LYS 53 53 ? A -28.168 -0.317 19.723 1.000 1 A 67.470 1
ATOM 936 H HB2 . LYS 53 53 ? A -27.148 -1.946 17.370 1.000 1 A 67.470 1
ATOM 937 H HB3 . LYS 53 53 ? A -28.877 -1.809 17.696 1.000 1 A 67.470 1
ATOM 938 H HG2 . LYS 53 53 ? A -26.973 0.498 17.134 1.000 1 A 67.470 1
ATOM 939 H HG3 . LYS 53 53 ? A -28.635 0.700 17.716 1.000 1 A 67.470 1
ATOM 940 H HD2 . LYS 53 53 ? A -29.436 -0.643 15.727 1.000 1 A 67.470 1
ATOM 941 H HD3 . LYS 53 53 ? A -27.773 -0.595 15.104 1.000 1 A 67.470 1
ATOM 942 H HE2 . LYS 53 53 ? A -29.489 1.836 15.782 1.000 1 A 67.470 1
ATOM 943 H HE3 . LYS 53 53 ? A -27.854 1.887 15.143 1.000 1 A 67.470 1
ATOM 944 H HZ1 . LYS 53 53 ? A -30.221 0.770 13.732 1.000 1 A 67.470 1
ATOM 945 H HZ2 . LYS 53 53 ? A -28.700 0.768 13.129 1.000 1 A 67.470 1
ATOM 946 H HZ3 . LYS 53 53 ? A -29.480 2.180 13.376 1.000 1 A 67.470 1
ATOM 947 N N . ARG 54 54 ? A -27.602 -3.525 20.193 1.000 1 A 63.550 1
ATOM 948 C CA . ARG 54 54 ? A -28.094 -4.702 20.935 1.000 1 A 63.550 1
ATOM 949 C C . ARG 54 54 ? A -28.170 -4.452 22.444 1.000 1 A 63.550 1
ATOM 950 O O . ARG 54 54 ? A -29.179 -4.808 23.049 1.000 1 A 63.550 1
ATOM 951 C CB . ARG 54 54 ? A -27.241 -5.942 20.619 1.000 1 A 63.550 1
ATOM 952 C CG . ARG 54 54 ? A -27.541 -6.514 19.224 1.000 1 A 63.550 1
ATOM 953 C CD . ARG 54 54 ? A -26.798 -7.840 19.016 1.000 1 A 63.550 1
ATOM 954 N NE . ARG 54 54 ? A -27.129 -8.461 17.717 1.000 1 A 63.550 1
ATOM 955 C CZ . ARG 54 54 ? A -26.738 -9.655 17.298 1.000 1 A 63.550 1
ATOM 956 N NH1 . ARG 54 54 ? A -25.993 -10.438 18.028 1.000 1 A 63.550 1
ATOM 957 N NH2 . ARG 54 54 ? A -27.091 -10.093 16.122 1.000 1 A 63.550 1
ATOM 958 H H . ARG 54 54 ? A -26.712 -3.581 19.720 1.000 1 A 63.550 1
ATOM 959 H HA . ARG 54 54 ? A -29.122 -4.904 20.634 1.000 1 A 63.550 1
ATOM 960 H HB2 . ARG 54 54 ? A -26.182 -5.696 20.699 1.000 1 A 63.550 1
ATOM 961 H HB3 . ARG 54 54 ? A -27.466 -6.711 21.358 1.000 1 A 63.550 1
ATOM 962 H HG2 . ARG 54 54 ? A -28.613 -6.694 19.137 1.000 1 A 63.550 1
ATOM 963 H HG3 . ARG 54 54 ? A -27.240 -5.801 18.456 1.000 1 A 63.550 1
ATOM 964 H HD2 . ARG 54 54 ? A -27.070 -8.521 19.822 1.000 1 A 63.550 1
ATOM 965 H HD3 . ARG 54 54 ? A -25.726 -7.650 19.065 1.000 1 A 63.550 1
ATOM 966 H HE . ARG 54 54 ? A -27.695 -7.920 17.080 1.000 1 A 63.550 1
ATOM 967 H HH11 . ARG 54 54 ? A -25.703 -11.344 17.686 1.000 1 A 63.550 1
ATOM 968 H HH12 . ARG 54 54 ? A -25.694 -10.133 18.943 1.000 1 A 63.550 1
ATOM 969 H HH21 . ARG 54 54 ? A -27.668 -9.536 15.508 1.000 1 A 63.550 1
ATOM 970 H HH22 . ARG 54 54 ? A -26.792 -11.008 15.816 1.000 1 A 63.550 1
ATOM 971 N N . LEU 55 55 ? A -27.172 -3.791 23.034 1.000 1 A 61.750 1
ATOM 972 C CA . LEU 55 55 ? A -27.171 -3.434 24.460 1.000 1 A 61.750 1
ATOM 973 C C . LEU 55 55 ? A -28.323 -2.485 24.819 1.000 1 A 61.750 1
ATOM 974 O O . LEU 55 55 ? A -29.043 -2.737 25.786 1.000 1 A 61.750 1
ATOM 975 C CB . LEU 55 55 ? A -25.808 -2.824 24.833 1.000 1 A 61.750 1
ATOM 976 C CG . LEU 55 55 ? A -24.688 -3.870 24.993 1.000 1 A 61.750 1
ATOM 977 C CD1 . LEU 55 55 ? A -23.329 -3.174 25.008 1.000 1 A 61.750 1
ATOM 978 C CD2 . LEU 55 55 ? A -24.838 -4.660 26.296 1.000 1 A 61.750 1
ATOM 979 H H . LEU 55 55 ? A -26.357 -3.562 22.483 1.000 1 A 61.750 1
ATOM 980 H HA . LEU 55 55 ? A -27.330 -4.338 25.048 1.000 1 A 61.750 1
ATOM 981 H HB2 . LEU 55 55 ? A -25.526 -2.103 24.065 1.000 1 A 61.750 1
ATOM 982 H HB3 . LEU 55 55 ? A -25.904 -2.279 25.771 1.000 1 A 61.750 1
ATOM 983 H HG . LEU 55 55 ? A -24.709 -4.564 24.153 1.000 1 A 61.750 1
ATOM 984 H HD11 . LEU 55 55 ? A -23.173 -2.649 24.066 1.000 1 A 61.750 1
ATOM 985 H HD12 . LEU 55 55 ? A -22.538 -3.914 25.127 1.000 1 A 61.750 1
ATOM 986 H HD13 . LEU 55 55 ? A -23.279 -2.463 25.833 1.000 1 A 61.750 1
ATOM 987 H HD21 . LEU 55 55 ? A -24.011 -5.364 26.393 1.000 1 A 61.750 1
ATOM 988 H HD22 . LEU 55 55 ? A -25.769 -5.227 26.299 1.000 1 A 61.750 1
ATOM 989 H HD23 . LEU 55 55 ? A -24.823 -3.983 27.151 1.000 1 A 61.750 1
ATOM 990 N N . ASN 56 56 ? A -28.573 -1.460 23.998 1.000 1 A 61.450 1
ATOM 991 C CA . ASN 56 56 ? A -29.695 -0.537 24.208 1.000 1 A 61.450 1
ATOM 992 C C . ASN 56 56 ? A -31.061 -1.242 24.113 1.000 1 A 61.450 1
ATOM 993 O O . ASN 56 56 ? A -31.982 -0.927 24.869 1.000 1 A 61.450 1
ATOM 994 C CB . ASN 56 56 ? A -29.585 0.616 23.194 1.000 1 A 61.450 1
ATOM 995 C CG . ASN 56 56 ? A -28.472 1.597 23.526 1.000 1 A 61.450 1
ATOM 996 O OD1 . ASN 56 56 ? A -27.915 1.618 24.605 1.000 1 A 61.450 1
ATOM 997 N ND2 . ASN 56 56 ? A -28.130 2.477 22.615 1.000 1 A 61.450 1
ATOM 998 H H . ASN 56 56 ? A -27.910 -1.262 23.262 1.000 1 A 61.450 1
ATOM 999 H HA . ASN 56 56 ? A -29.628 -0.126 25.216 1.000 1 A 61.450 1
ATOM 1000 H HB2 . ASN 56 56 ? A -30.517 1.180 23.195 1.000 1 A 61.450 1
ATOM 1001 H HB3 . ASN 56 56 ? A -29.424 0.214 22.193 1.000 1 A 61.450 1
ATOM 1002 H HD21 . ASN 56 56 ? A -28.594 2.514 21.719 1.000 1 A 61.450 1
ATOM 1003 H HD22 . ASN 56 56 ? A -27.427 3.139 22.910 1.000 1 A 61.450 1
ATOM 1004 N N . PHE 57 57 ? A -31.198 -2.227 23.219 1.000 1 A 59.620 1
ATOM 1005 C CA . PHE 57 57 ? A -32.416 -3.039 23.114 1.000 1 A 59.620 1
ATOM 1006 C C . PHE 57 57 ? A -32.611 -3.961 24.327 1.000 1 A 59.620 1
ATOM 1007 O O . PHE 57 57 ? A -33.731 -4.097 24.825 1.000 1 A 59.620 1
ATOM 1008 C CB . PHE 57 57 ? A -32.399 -3.843 21.804 1.000 1 A 59.620 1
ATOM 1009 C CG . PHE 57 57 ? A -33.578 -3.529 20.909 1.000 1 A 59.620 1
ATOM 1010 C CD1 . PHE 57 57 ? A -34.806 -4.188 21.106 1.000 1 A 59.620 1
ATOM 1011 C CD2 . PHE 57 57 ? A -33.456 -2.558 19.899 1.000 1 A 59.620 1
ATOM 1012 C CE1 . PHE 57 57 ? A -35.904 -3.892 20.278 1.000 1 A 59.620 1
ATOM 1013 C CE2 . PHE 57 57 ? A -34.556 -2.260 19.074 1.000 1 A 59.620 1
ATOM 1014 C CZ . PHE 57 57 ? A -35.778 -2.930 19.261 1.000 1 A 59.620 1
ATOM 1015 H H . PHE 57 57 ? A -30.425 -2.431 22.603 1.000 1 A 59.620 1
ATOM 1016 H HA . PHE 57 57 ? A -33.273 -2.365 23.093 1.000 1 A 59.620 1
ATOM 1017 H HB2 . PHE 57 57 ? A -31.480 -3.649 21.251 1.000 1 A 59.620 1
ATOM 1018 H HB3 . PHE 57 57 ? A -32.405 -4.910 22.025 1.000 1 A 59.620 1
ATOM 1019 H HD1 . PHE 57 57 ? A -34.907 -4.914 21.899 1.000 1 A 59.620 1
ATOM 1020 H HD2 . PHE 57 57 ? A -32.517 -2.046 19.753 1.000 1 A 59.620 1
ATOM 1021 H HE1 . PHE 57 57 ? A -36.850 -4.393 20.422 1.000 1 A 59.620 1
ATOM 1022 H HE2 . PHE 57 57 ? A -34.465 -1.522 18.290 1.000 1 A 59.620 1
ATOM 1023 H HZ . PHE 57 57 ? A -36.621 -2.704 18.625 1.000 1 A 59.620 1
ATOM 1024 N N . GLY 58 58 ? A -31.527 -4.566 24.824 1.000 1 A 62.570 1
ATOM 1025 C CA . GLY 58 58 ? A -31.540 -5.402 26.025 1.000 1 A 62.570 1
ATOM 1026 C C . GLY 58 58 ? A -31.922 -4.619 27.281 1.000 1 A 62.570 1
ATOM 1027 O O . GLY 58 58 ? A -32.753 -5.081 28.061 1.000 1 A 62.570 1
ATOM 1028 H H . GLY 58 58 ? A -30.646 -4.436 24.348 1.000 1 A 62.570 1
ATOM 1029 H HA2 . GLY 58 58 ? A -32.249 -6.221 25.895 1.000 1 A 62.570 1
ATOM 1030 H HA3 . GLY 58 58 ? A -30.545 -5.820 26.174 1.000 1 A 62.570 1
ATOM 1031 N N . GLN 59 59 ? A -31.399 -3.399 27.443 1.000 1 A 59.200 1
ATOM 1032 C CA . GLN 59 59 ? A -31.760 -2.532 28.568 1.000 1 A 59.200 1
ATOM 1033 C C . GLN 59 59 ? A -33.221 -2.078 28.512 1.000 1 A 59.200 1
ATOM 1034 O O . GLN 59 59 ? A -33.890 -2.138 29.539 1.000 1 A 59.200 1
ATOM 1035 C CB . GLN 59 59 ? A -30.827 -1.322 28.643 1.000 1 A 59.200 1
ATOM 1036 C CG . GLN 59 59 ? A -29.426 -1.704 29.146 1.000 1 A 59.200 1
ATOM 1037 C CD . GLN 59 59 ? A -28.561 -0.480 29.430 1.000 1 A 59.200 1
ATOM 1038 O OE1 . GLN 59 59 ? A -28.946 0.657 29.225 1.000 1 A 59.200 1
ATOM 1039 N NE2 . GLN 59 59 ? A -27.360 -0.661 29.932 1.000 1 A 59.200 1
ATOM 1040 H H . GLN 59 59 ? A -30.692 -3.081 26.796 1.000 1 A 59.200 1
ATOM 1041 H HA . GLN 59 59 ? A -31.649 -3.099 29.492 1.000 1 A 59.200 1
ATOM 1042 H HB2 . GLN 59 59 ? A -31.257 -0.608 29.346 1.000 1 A 59.200 1
ATOM 1043 H HB3 . GLN 59 59 ? A -30.754 -0.843 27.666 1.000 1 A 59.200 1
ATOM 1044 H HG2 . GLN 59 59 ? A -28.922 -2.327 28.407 1.000 1 A 59.200 1
ATOM 1045 H HG3 . GLN 59 59 ? A -29.517 -2.274 30.070 1.000 1 A 59.200 1
ATOM 1046 H HE21 . GLN 59 59 ? A -26.838 0.183 30.121 1.000 1 A 59.200 1
ATOM 1047 H HE22 . GLN 59 59 ? A -27.004 -1.583 30.139 1.000 1 A 59.200 1
ATOM 1048 N N . LYS 60 60 ? A -33.754 -1.714 27.333 1.000 1 A 58.450 1
ATOM 1049 C CA . LYS 60 60 ? A -35.186 -1.387 27.184 1.000 1 A 58.450 1
ATOM 1050 C C . LYS 60 60 ? A -36.089 -2.567 27.546 1.000 1 A 58.450 1
ATOM 1051 O O . LYS 60 60 ? A -37.060 -2.374 28.271 1.000 1 A 58.450 1
ATOM 1052 C CB . LYS 60 60 ? A -35.503 -0.887 25.764 1.000 1 A 58.450 1
ATOM 1053 C CG . LYS 60 60 ? A -35.223 0.614 25.603 1.000 1 A 58.450 1
ATOM 1054 C CD . LYS 60 60 ? A -35.747 1.124 24.252 1.000 1 A 58.450 1
ATOM 1055 C CE . LYS 60 60 ? A -35.558 2.643 24.147 1.000 1 A 58.450 1
ATOM 1056 N NZ . LYS 60 60 ? A -36.189 3.201 22.922 1.000 1 A 58.450 1
ATOM 1057 H H . LYS 60 60 ? A -33.144 -1.641 26.531 1.000 1 A 58.450 1
ATOM 1058 H HA . LYS 60 60 ? A -35.443 -0.606 27.898 1.000 1 A 58.450 1
ATOM 1059 H HB2 . LYS 60 60 ? A -36.565 -1.049 25.575 1.000 1 A 58.450 1
ATOM 1060 H HB3 . LYS 60 60 ? A -34.937 -1.458 25.028 1.000 1 A 58.450 1
ATOM 1061 H HG2 . LYS 60 60 ? A -34.151 0.795 25.675 1.000 1 A 58.450 1
ATOM 1062 H HG3 . LYS 60 60 ? A -35.727 1.158 26.402 1.000 1 A 58.450 1
ATOM 1063 H HD2 . LYS 60 60 ? A -35.211 0.625 23.445 1.000 1 A 58.450 1
ATOM 1064 H HD3 . LYS 60 60 ? A -36.809 0.889 24.175 1.000 1 A 58.450 1
ATOM 1065 H HE2 . LYS 60 60 ? A -34.491 2.866 24.162 1.000 1 A 58.450 1
ATOM 1066 H HE3 . LYS 60 60 ? A -36.002 3.105 25.029 1.000 1 A 58.450 1
ATOM 1067 H HZ1 . LYS 60 60 ? A -35.796 2.794 22.085 1.000 1 A 58.450 1
ATOM 1068 H HZ2 . LYS 60 60 ? A -36.065 4.202 22.886 1.000 1 A 58.450 1
ATOM 1069 H HZ3 . LYS 60 60 ? A -37.184 3.025 22.928 1.000 1 A 58.450 1
ATOM 1070 N N . LYS 61 61 ? A -35.755 -3.785 27.100 1.000 1 A 58.850 1
ATOM 1071 C CA . LYS 61 61 ? A -36.501 -4.999 27.478 1.000 1 A 58.850 1
ATOM 1072 C C . LYS 61 61 ? A -36.402 -5.290 28.979 1.000 1 A 58.850 1
ATOM 1073 O O . LYS 61 61 ? A -37.414 -5.595 29.596 1.000 1 A 58.850 1
ATOM 1074 C CB . LYS 61 61 ? A -36.045 -6.207 26.644 1.000 1 A 58.850 1
ATOM 1075 C CG . LYS 61 61 ? A -36.635 -6.188 25.225 1.000 1 A 58.850 1
ATOM 1076 C CD . LYS 61 61 ? A -36.293 -7.484 24.474 1.000 1 A 58.850 1
ATOM 1077 C CE . LYS 61 61 ? A -36.983 -7.516 23.103 1.000 1 A 58.850 1
ATOM 1078 N NZ . LYS 61 61 ? A -36.806 -8.827 22.424 1.000 1 A 58.850 1
ATOM 1079 H H . LYS 61 61 ? A -34.951 -3.867 26.494 1.000 1 A 58.850 1
ATOM 1080 H HA . LYS 61 61 ? A -37.563 -4.832 27.297 1.000 1 A 58.850 1
ATOM 1081 H HB2 . LYS 61 61 ? A -36.389 -7.113 27.142 1.000 1 A 58.850 1
ATOM 1082 H HB3 . LYS 61 61 ? A -34.956 -6.237 26.597 1.000 1 A 58.850 1
ATOM 1083 H HG2 . LYS 61 61 ? A -36.247 -5.331 24.674 1.000 1 A 58.850 1
ATOM 1084 H HG3 . LYS 61 61 ? A -37.720 -6.099 25.295 1.000 1 A 58.850 1
ATOM 1085 H HD2 . LYS 61 61 ? A -36.635 -8.332 25.067 1.000 1 A 58.850 1
ATOM 1086 H HD3 . LYS 61 61 ? A -35.212 -7.551 24.348 1.000 1 A 58.850 1
ATOM 1087 H HE2 . LYS 61 61 ? A -36.586 -6.708 22.488 1.000 1 A 58.850 1
ATOM 1088 H HE3 . LYS 61 61 ? A -38.046 -7.325 23.254 1.000 1 A 58.850 1
ATOM 1089 H HZ1 . LYS 61 61 ? A -35.831 -9.021 22.245 1.000 1 A 58.850 1
ATOM 1090 H HZ2 . LYS 61 61 ? A -37.308 -8.844 21.547 1.000 1 A 58.850 1
ATOM 1091 H HZ3 . LYS 61 61 ? A -37.179 -9.570 22.996 1.000 1 A 58.850 1
ATOM 1092 N N . SER 62 62 ? A -35.221 -5.140 29.580 1.000 1 A 56.490 1
ATOM 1093 C CA . SER 62 62 ? A -35.019 -5.352 31.022 1.000 1 A 56.490 1
ATOM 1094 C C . SER 62 62 ? A -35.771 -4.320 31.878 1.000 1 A 56.490 1
ATOM 1095 O O . SER 62 62 ? A -36.371 -4.676 32.890 1.000 1 A 56.490 1
ATOM 1096 C CB . SER 62 62 ? A -33.517 -5.343 31.324 1.000 1 A 56.490 1
ATOM 1097 O OG . SER 62 62 ? A -33.252 -5.853 32.615 1.000 1 A 56.490 1
ATOM 1098 H H . SER 62 62 ? A -34.418 -4.917 29.009 1.000 1 A 56.490 1
ATOM 1099 H HA . SER 62 62 ? A -35.408 -6.335 31.286 1.000 1 A 56.490 1
ATOM 1100 H HB2 . SER 62 62 ? A -33.007 -5.974 30.595 1.000 1 A 56.490 1
ATOM 1101 H HB3 . SER 62 62 ? A -33.128 -4.328 31.239 1.000 1 A 56.490 1
ATOM 1102 H HG . SER 62 62 ? A -32.582 -6.537 32.540 1.000 1 A 56.490 1
ATOM 1103 N N . TYR 63 63 ? A -35.828 -3.059 31.434 1.000 1 A 55.490 1
ATOM 1104 C CA . TYR 63 63 ? A -36.622 -2.009 32.082 1.000 1 A 55.490 1
ATOM 1105 C C . TYR 63 63 ? A -38.131 -2.282 32.016 1.000 1 A 55.490 1
ATOM 1106 O O . TYR 63 63 ? A -38.824 -2.064 33.006 1.000 1 A 55.490 1
ATOM 1107 C CB . TYR 63 63 ? A -36.298 -0.636 31.466 1.000 1 A 55.490 1
ATOM 1108 C CG . TYR 63 63 ? A -35.608 0.301 32.434 1.000 1 A 55.490 1
ATOM 1109 C CD1 . TYR 63 63 ? A -36.387 1.097 33.294 1.000 1 A 55.490 1
ATOM 1110 C CD2 . TYR 63 63 ? A -34.202 0.366 32.488 1.000 1 A 55.490 1
ATOM 1111 C CE1 . TYR 63 63 ? A -35.762 1.970 34.204 1.000 1 A 55.490 1
ATOM 1112 C CE2 . TYR 63 63 ? A -33.572 1.241 33.397 1.000 1 A 55.490 1
ATOM 1113 C CZ . TYR 63 63 ? A -34.355 2.046 34.254 1.000 1 A 55.490 1
ATOM 1114 O OH . TYR 63 63 ? A -33.768 2.899 35.133 1.000 1 A 55.490 1
ATOM 1115 H H . TYR 63 63 ? A -35.287 -2.805 30.620 1.000 1 A 55.490 1
ATOM 1116 H HA . TYR 63 63 ? A -36.358 -1.982 33.139 1.000 1 A 55.490 1
ATOM 1117 H HB2 . TYR 63 63 ? A -37.221 -0.158 31.139 1.000 1 A 55.490 1
ATOM 1118 H HB3 . TYR 63 63 ? A -35.685 -0.745 30.571 1.000 1 A 55.490 1
ATOM 1119 H HD1 . TYR 63 63 ? A -37.465 1.039 33.255 1.000 1 A 55.490 1
ATOM 1120 H HD2 . TYR 63 63 ? A -33.609 -0.251 31.829 1.000 1 A 55.490 1
ATOM 1121 H HE1 . TYR 63 63 ? A -36.345 2.590 34.868 1.000 1 A 55.490 1
ATOM 1122 H HE2 . TYR 63 63 ? A -32.495 1.303 33.433 1.000 1 A 55.490 1
ATOM 1123 H HH . TYR 63 63 ? A -32.810 2.897 35.076 1.000 1 A 55.490 1
ATOM 1124 N N . LEU 64 64 ? A -38.627 -2.784 30.880 1.000 1 A 54.910 1
ATOM 1125 C CA . LEU 64 64 ? A -40.034 -3.167 30.701 1.000 1 A 54.910 1
ATOM 1126 C C . LEU 64 64 ? A -40.428 -4.377 31.561 1.000 1 A 54.910 1
ATOM 1127 O O . LEU 64 64 ? A -41.519 -4.394 32.115 1.000 1 A 54.910 1
ATOM 1128 C CB . LEU 64 64 ? A -40.297 -3.422 29.200 1.000 1 A 54.910 1
ATOM 1129 C CG . LEU 64 64 ? A -41.094 -2.282 28.530 1.000 1 A 54.910 1
ATOM 1130 C CD1 . LEU 64 64 ? A -40.517 -1.932 27.158 1.000 1 A 54.910 1
ATOM 1131 C CD2 . LEU 64 64 ? A -42.558 -2.686 28.349 1.000 1 A 54.910 1
ATOM 1132 H H . LEU 64 64 ? A -38.006 -2.888 30.090 1.000 1 A 54.910 1
ATOM 1133 H HA . LEU 64 64 ? A -40.667 -2.349 31.046 1.000 1 A 54.910 1
ATOM 1134 H HB2 . LEU 64 64 ? A -39.350 -3.570 28.682 1.000 1 A 54.910 1
ATOM 1135 H HB3 . LEU 64 64 ? A -40.850 -4.355 29.085 1.000 1 A 54.910 1
ATOM 1136 H HG . LEU 64 64 ? A -41.048 -1.381 29.142 1.000 1 A 54.910 1
ATOM 1137 H HD11 . LEU 64 64 ? A -40.544 -2.809 26.511 1.000 1 A 54.910 1
ATOM 1138 H HD12 . LEU 64 64 ? A -39.489 -1.589 27.276 1.000 1 A 54.910 1
ATOM 1139 H HD13 . LEU 64 64 ? A -41.109 -1.134 26.711 1.000 1 A 54.910 1
ATOM 1140 H HD21 . LEU 64 64 ? A -43.123 -1.856 27.924 1.000 1 A 54.910 1
ATOM 1141 H HD22 . LEU 64 64 ? A -42.641 -3.551 27.692 1.000 1 A 54.910 1
ATOM 1142 H HD23 . LEU 64 64 ? A -42.991 -2.933 29.319 1.000 1 A 54.910 1
ATOM 1143 N N . ILE 65 65 ? A -39.532 -5.354 31.731 1.000 1 A 59.170 1
ATOM 1144 C CA . ILE 65 65 ? A -39.779 -6.535 32.579 1.000 1 A 59.170 1
ATOM 1145 C C . ILE 65 65 ? A -39.767 -6.166 34.071 1.000 1 A 59.170 1
ATOM 1146 O O . ILE 65 65 ? A -40.570 -6.691 34.837 1.000 1 A 59.170 1
ATOM 1147 C CB . ILE 65 65 ? A -38.762 -7.650 32.239 1.000 1 A 59.170 1
ATOM 1148 C CG1 . ILE 65 65 ? A -38.991 -8.175 30.801 1.000 1 A 59.170 1
ATOM 1149 C CG2 . ILE 65 65 ? A -38.858 -8.829 33.228 1.000 1 A 59.170 1
ATOM 1150 C CD1 . ILE 65 65 ? A -37.796 -8.956 30.236 1.000 1 A 59.170 1
ATOM 1151 H H . ILE 65 65 ? A -38.675 -5.312 31.199 1.000 1 A 59.170 1
ATOM 1152 H HA . ILE 65 65 ? A -40.778 -6.914 32.365 1.000 1 A 59.170 1
ATOM 1153 H HB . ILE 65 65 ? A -37.760 -7.228 32.307 1.000 1 A 59.170 1
ATOM 1154 H HG12 . ILE 65 65 ? A -39.188 -7.345 30.122 1.000 1 A 59.170 1
ATOM 1155 H HG13 . ILE 65 65 ? A -39.874 -8.815 30.785 1.000 1 A 59.170 1
ATOM 1156 H HG21 . ILE 65 65 ? A -38.593 -8.509 34.236 1.000 1 A 59.170 1
ATOM 1157 H HG22 . ILE 65 65 ? A -39.875 -9.221 33.244 1.000 1 A 59.170 1
ATOM 1158 H HG23 . ILE 65 65 ? A -38.172 -9.629 32.950 1.000 1 A 59.170 1
ATOM 1159 H HD11 . ILE 65 65 ? A -36.894 -8.347 30.287 1.000 1 A 59.170 1
ATOM 1160 H HD12 . ILE 65 65 ? A -37.642 -9.882 30.791 1.000 1 A 59.170 1
ATOM 1161 H HD13 . ILE 65 65 ? A -37.994 -9.207 29.193 1.000 1 A 59.170 1
ATOM 1162 N N . LYS 66 66 ? A -38.884 -5.251 34.500 1.000 1 A 60.580 1
ATOM 1163 C CA . LYS 66 66 ? A -38.811 -4.802 35.904 1.000 1 A 60.580 1
ATOM 1164 C C . LYS 66 66 ? A -39.940 -3.852 36.318 1.000 1 A 60.580 1
ATOM 1165 O O . LYS 66 66 ? A -40.188 -3.723 37.510 1.000 1 A 60.580 1
ATOM 1166 C CB . LYS 66 66 ? A -37.440 -4.173 36.199 1.000 1 A 60.580 1
ATOM 1167 C CG . LYS 66 66 ? A -36.349 -5.237 36.379 1.000 1 A 60.580 1
ATOM 1168 C CD . LYS 66 66 ? A -35.028 -4.587 36.811 1.000 1 A 60.580 1
ATOM 1169 C CE . LYS 66 66 ? A -33.961 -5.664 37.032 1.000 1 A 60.580 1
ATOM 1170 N NZ . LYS 66 66 ? A -32.712 -5.088 37.591 1.000 1 A 60.580 1
ATOM 1171 H H . LYS 66 66 ? A -38.223 -4.880 33.833 1.000 1 A 60.580 1
ATOM 1172 H HA . LYS 66 66 ? A -38.942 -5.669 36.552 1.000 1 A 60.580 1
ATOM 1173 H HB2 . LYS 66 66 ? A -37.512 -3.606 37.127 1.000 1 A 60.580 1
ATOM 1174 H HB3 . LYS 66 66 ? A -37.170 -3.484 35.400 1.000 1 A 60.580 1
ATOM 1175 H HG2 . LYS 66 66 ? A -36.203 -5.775 35.442 1.000 1 A 60.580 1
ATOM 1176 H HG3 . LYS 66 66 ? A -36.663 -5.945 37.146 1.000 1 A 60.580 1
ATOM 1177 H HD2 . LYS 66 66 ? A -35.195 -4.040 37.739 1.000 1 A 60.580 1
ATOM 1178 H HD3 . LYS 66 66 ? A -34.701 -3.892 36.038 1.000 1 A 60.580 1
ATOM 1179 H HE2 . LYS 66 66 ? A -33.765 -6.157 36.080 1.000 1 A 60.580 1
ATOM 1180 H HE3 . LYS 66 66 ? A -34.365 -6.410 37.716 1.000 1 A 60.580 1
ATOM 1181 H HZ1 . LYS 66 66 ? A -32.029 -5.815 37.748 1.000 1 A 60.580 1
ATOM 1182 H HZ2 . LYS 66 66 ? A -32.903 -4.645 38.478 1.000 1 A 60.580 1
ATOM 1183 H HZ3 . LYS 66 66 ? A -32.324 -4.399 36.962 1.000 1 A 60.580 1
ATOM 1184 N N . ASN 67 67 ? A -40.612 -3.197 35.370 1.000 1 A 53.660 1
ATOM 1185 C CA . ASN 67 67 ? A -41.733 -2.288 35.628 1.000 1 A 53.660 1
ATOM 1186 C C . ASN 67 67 ? A -42.946 -2.636 34.745 1.000 1 A 53.660 1
ATOM 1187 O O . ASN 67 67 ? A -43.266 -1.885 33.819 1.000 1 A 53.660 1
ATOM 1188 C CB . ASN 67 67 ? A -41.265 -0.831 35.449 1.000 1 A 53.660 1
ATOM 1189 C CG . ASN 67 67 ? A -40.607 -0.277 36.694 1.000 1 A 53.660 1
ATOM 1190 O OD1 . ASN 67 67 ? A -41.128 -0.358 37.788 1.000 1 A 53.660 1
ATOM 1191 N ND2 . ASN 67 67 ? A -39.471 0.365 36.566 1.000 1 A 53.660 1
ATOM 1192 H H . ASN 67 67 ? A -40.350 -3.359 34.409 1.000 1 A 53.660 1
ATOM 1193 H HA . ASN 67 67 ? A -42.064 -2.399 36.661 1.000 1 A 53.660 1
ATOM 1194 H HB2 . ASN 67 67 ? A -42.128 -0.190 35.267 1.000 1 A 53.660 1
ATOM 1195 H HB3 . ASN 67 67 ? A -40.601 -0.752 34.588 1.000 1 A 53.660 1
ATOM 1196 H HD21 . ASN 67 67 ? A -39.073 0.700 37.432 1.000 1 A 53.660 1
ATOM 1197 H HD22 . ASN 67 67 ? A -38.987 0.369 35.680 1.000 1 A 53.660 1
ATOM 1198 N N . PRO 68 68 ? A -43.660 -3.740 35.032 1.000 1 A 57.050 1
ATOM 1199 C CA . PRO 68 68 ? A -44.814 -4.159 34.233 1.000 1 A 57.050 1
ATOM 1200 C C . PRO 68 68 ? A -46.009 -3.194 34.346 1.000 1 A 57.050 1
ATOM 1201 O O . PRO 68 68 ? A -46.850 -3.139 33.457 1.000 1 A 57.050 1
ATOM 1202 C CB . PRO 68 68 ? A -45.152 -5.566 34.741 1.000 1 A 57.050 1
ATOM 1203 C CG . PRO 68 68 ? A -44.653 -5.568 36.186 1.000 1 A 57.050 1
ATOM 1204 C CD . PRO 68 68 ? A -43.417 -4.676 36.124 1.000 1 A 57.050 1
ATOM 1205 H HA . PRO 68 68 ? A -44.532 -4.220 33.182 1.000 1 A 57.050 1
ATOM 1206 H HB2 . PRO 68 68 ? A -46.218 -5.784 34.680 1.000 1 A 57.050 1
ATOM 1207 H HB3 . PRO 68 68 ? A -44.586 -6.299 34.166 1.000 1 A 57.050 1
ATOM 1208 H HG2 . PRO 68 68 ? A -45.404 -5.115 36.833 1.000 1 A 57.050 1
ATOM 1209 H HG3 . PRO 68 68 ? A -44.410 -6.574 36.529 1.000 1 A 57.050 1
ATOM 1210 H HD2 . PRO 68 68 ? A -43.279 -4.167 37.078 1.000 1 A 57.050 1
ATOM 1211 H HD3 . PRO 68 68 ? A -42.543 -5.285 35.894 1.000 1 A 57.050 1
ATOM 1212 N N . HIS 69 69 ? A -46.075 -2.379 35.403 1.000 1 A 58.650 1
ATOM 1213 C CA . HIS 69 69 ? A -47.212 -1.489 35.669 1.000 1 A 58.650 1
ATOM 1214 C C . HIS 69 69 ? A -47.182 -0.150 34.914 1.000 1 A 58.650 1
ATOM 1215 O O . HIS 69 69 ? A -48.105 0.646 35.060 1.000 1 A 58.650 1
ATOM 1216 C CB . HIS 69 69 ? A -47.353 -1.303 37.186 1.000 1 A 58.650 1
ATOM 1217 C CG . HIS 69 69 ? A -47.923 -2.531 37.842 1.000 1 A 58.650 1
ATOM 1218 N ND1 . HIS 69 69 ? A -49.235 -2.941 37.766 1.000 1 A 58.650 1
ATOM 1219 C CD2 . HIS 69 69 ? A -47.250 -3.464 38.583 1.000 1 A 58.650 1
ATOM 1220 C CE1 . HIS 69 69 ? A -49.350 -4.094 38.445 1.000 1 A 58.650 1
ATOM 1221 N NE2 . HIS 69 69 ? A -48.162 -4.455 38.952 1.000 1 A 58.650 1
ATOM 1222 H H . HIS 69 69 ? A -45.370 -2.476 36.120 1.000 1 A 58.650 1
ATOM 1223 H HA . HIS 69 69 ? A -48.117 -1.987 35.321 1.000 1 A 58.650 1
ATOM 1224 H HB2 . HIS 69 69 ? A -48.036 -0.478 37.391 1.000 1 A 58.650 1
ATOM 1225 H HB3 . HIS 69 69 ? A -46.388 -1.055 37.627 1.000 1 A 58.650 1
ATOM 1226 H HD1 . HIS 69 69 ? A -49.991 -2.456 37.305 1.000 1 A 58.650 1
ATOM 1227 H HD2 . HIS 69 69 ? A -46.199 -3.447 38.831 1.000 1 A 58.650 1
ATOM 1228 H HE1 . HIS 69 69 ? A -50.264 -4.655 38.572 1.000 1 A 58.650 1
ATOM 1229 N N . ARG 70 70 ? A -46.152 0.122 34.097 1.000 1 A 53.480 1
ATOM 1230 C CA . ARG 70 70 ? A -46.015 1.407 33.381 1.000 1 A 53.480 1
ATOM 1231 C C . ARG 70 70 ? A -46.405 1.364 31.898 1.000 1 A 53.480 1
ATOM 1232 O O . ARG 70 70 ? A -46.359 2.402 31.253 1.000 1 A 53.480 1
ATOM 1233 C CB . ARG 70 70 ? A -44.617 2.009 33.628 1.000 1 A 53.480 1
ATOM 1234 C CG . ARG 70 70 ? A -44.716 3.472 34.091 1.000 1 A 53.480 1
ATOM 1235 C CD . ARG 70 70 ? A -43.322 4.081 34.283 1.000 1 A 53.480 1
ATOM 1236 N NE . ARG 70 70 ? A -43.394 5.421 34.899 1.000 1 A 53.480 1
ATOM 1237 C CZ . ARG 70 70 ? A -42.391 6.263 35.079 1.000 1 A 53.480 1
ATOM 1238 N NH1 . ARG 70 70 ? A -41.184 5.995 34.661 1.000 1 A 53.480 1
ATOM 1239 N NH2 . ARG 70 70 ? A -42.582 7.399 35.687 1.000 1 A 53.480 1
ATOM 1240 H H . ARG 70 70 ? A -45.442 -0.586 33.982 1.000 1 A 53.480 1
ATOM 1241 H HA . ARG 70 70 ? A -46.744 2.098 33.804 1.000 1 A 53.480 1
ATOM 1242 H HB2 . ARG 70 70 ? A -44.024 1.948 32.715 1.000 1 A 53.480 1
ATOM 1243 H HB3 . ARG 70 70 ? A -44.101 1.441 34.402 1.000 1 A 53.480 1
ATOM 1244 H HG2 . ARG 70 70 ? A -45.262 4.054 33.349 1.000 1 A 53.480 1
ATOM 1245 H HG3 . ARG 70 70 ? A -45.258 3.506 35.036 1.000 1 A 53.480 1
ATOM 1246 H HD2 . ARG 70 70 ? A -42.739 3.424 34.929 1.000 1 A 53.480 1
ATOM 1247 H HD3 . ARG 70 70 ? A -42.839 4.144 33.308 1.000 1 A 53.480 1
ATOM 1248 H HE . ARG 70 70 ? A -44.306 5.719 35.215 1.000 1 A 53.480 1
ATOM 1249 H HH11 . ARG 70 70 ? A -41.031 5.126 34.170 1.000 1 A 53.480 1
ATOM 1250 H HH12 . ARG 70 70 ? A -40.436 6.658 34.804 1.000 1 A 53.480 1
ATOM 1251 H HH21 . ARG 70 70 ? A -41.823 8.052 35.819 1.000 1 A 53.480 1
ATOM 1252 H HH22 . ARG 70 70 ? A -43.505 7.646 36.015 1.000 1 A 53.480 1
ATOM 1253 N N . SER 71 71 ? A -46.799 0.208 31.356 1.000 1 A 55.000 1
ATOM 1254 C CA . SER 71 71 ? A -47.154 0.049 29.933 1.000 1 A 55.000 1
ATOM 1255 C C . SER 71 71 ? A -48.646 0.218 29.611 1.000 1 A 55.000 1
ATOM 1256 O O . SER 71 71 ? A -49.041 -0.065 28.488 1.000 1 A 55.000 1
ATOM 1257 C CB . SER 71 71 ? A -46.626 -1.288 29.401 1.000 1 A 55.000 1
ATOM 1258 O OG . SER 71 71 ? A -47.199 -2.366 30.110 1.000 1 A 55.000 1
ATOM 1259 H H . SER 71 71 ? A -46.816 -0.624 31.928 1.000 1 A 55.000 1
ATOM 1260 H HA . SER 71 71 ? A -46.649 0.829 29.364 1.000 1 A 55.000 1
ATOM 1261 H HB2 . SER 71 71 ? A -45.543 -1.314 29.525 1.000 1 A 55.000 1
ATOM 1262 H HB3 . SER 71 71 ? A -46.852 -1.384 28.339 1.000 1 A 55.000 1
ATOM 1263 H HG . SER 71 71 ? A -48.087 -2.516 29.775 1.000 1 A 55.000 1
ATOM 1264 N N . PHE 72 72 ? A -49.471 0.655 30.569 1.000 1 A 53.590 1
ATOM 1265 C CA . PHE 72 72 ? A -50.919 0.843 30.376 1.000 1 A 53.590 1
ATOM 1266 C C . PHE 72 72 ? A -51.393 2.309 30.416 1.000 1 A 53.590 1
ATOM 1267 O O . PHE 72 72 ? A -52.581 2.559 30.259 1.000 1 A 53.590 1
ATOM 1268 C CB . PHE 72 72 ? A -51.690 -0.068 31.352 1.000 1 A 53.590 1
ATOM 1269 C CG . PHE 72 72 ? A -52.076 -1.402 30.739 1.000 1 A 53.590 1
ATOM 1270 C CD1 . PHE 72 72 ? A -53.244 -1.491 29.958 1.000 1 A 53.590 1
ATOM 1271 C CD2 . PHE 72 72 ? A -51.275 -2.544 30.928 1.000 1 A 53.590 1
ATOM 1272 C CE1 . PHE 72 72 ? A -53.615 -2.715 29.374 1.000 1 A 53.590 1
ATOM 1273 C CE2 . PHE 72 72 ? A -51.646 -3.769 30.343 1.000 1 A 53.590 1
ATOM 1274 C CZ . PHE 72 72 ? A -52.817 -3.855 29.568 1.000 1 A 53.590 1
ATOM 1275 H H . PHE 72 72 ? A -49.090 0.832 31.488 1.000 1 A 53.590 1
ATOM 1276 H HA . PHE 72 72 ? A -51.186 0.517 29.371 1.000 1 A 53.590 1
ATOM 1277 H HB2 . PHE 72 72 ? A -52.611 0.426 31.661 1.000 1 A 53.590 1
ATOM 1278 H HB3 . PHE 72 72 ? A -51.105 -0.230 32.257 1.000 1 A 53.590 1
ATOM 1279 H HD1 . PHE 72 72 ? A -53.857 -0.615 29.803 1.000 1 A 53.590 1
ATOM 1280 H HD2 . PHE 72 72 ? A -50.378 -2.482 31.526 1.000 1 A 53.590 1
ATOM 1281 H HE1 . PHE 72 72 ? A -54.512 -2.776 28.776 1.000 1 A 53.590 1
ATOM 1282 H HE2 . PHE 72 72 ? A -51.035 -4.647 30.494 1.000 1 A 53.590 1
ATOM 1283 H HZ . PHE 72 72 ? A -53.104 -4.796 29.122 1.000 1 A 53.590 1
ATOM 1284 N N . PHE 73 73 ? A -50.490 3.281 30.594 1.000 1 A 46.320 1
ATOM 1285 C CA . PHE 73 73 ? A -50.823 4.712 30.638 1.000 1 A 46.320 1
ATOM 1286 C C . PHE 73 73 ? A -49.855 5.533 29.767 1.000 1 A 46.320 1
ATOM 1287 O O . PHE 73 73 ? A -48.911 6.133 30.277 1.000 1 A 46.320 1
ATOM 1288 C CB . PHE 73 73 ? A -50.851 5.202 32.101 1.000 1 A 46.320 1
ATOM 1289 C CG . PHE 73 73 ? A -52.169 5.000 32.824 1.000 1 A 46.320 1
ATOM 1290 C CD1 . PHE 73 73 ? A -53.178 5.977 32.712 1.000 1 A 46.320 1
ATOM 1291 C CD2 . PHE 73 73 ? A -52.384 3.868 33.633 1.000 1 A 46.320 1
ATOM 1292 C CE1 . PHE 73 73 ? A -54.392 5.826 33.404 1.000 1 A 46.320 1
ATOM 1293 C CE2 . PHE 73 73 ? A -53.600 3.716 34.325 1.000 1 A 46.320 1
ATOM 1294 C CZ . PHE 73 73 ? A -54.603 4.695 34.212 1.000 1 A 46.320 1
ATOM 1295 H H . PHE 73 73 ? A -49.513 3.029 30.634 1.000 1 A 46.320 1
ATOM 1296 H HA . PHE 73 73 ? A -51.816 4.873 30.218 1.000 1 A 46.320 1
ATOM 1297 H HB2 . PHE 73 73 ? A -50.655 6.275 32.113 1.000 1 A 46.320 1
ATOM 1298 H HB3 . PHE 73 73 ? A -50.045 4.729 32.662 1.000 1 A 46.320 1
ATOM 1299 H HD1 . PHE 73 73 ? A -53.021 6.847 32.092 1.000 1 A 46.320 1
ATOM 1300 H HD2 . PHE 73 73 ? A -51.617 3.113 33.720 1.000 1 A 46.320 1
ATOM 1301 H HE1 . PHE 73 73 ? A -55.164 6.575 33.310 1.000 1 A 46.320 1
ATOM 1302 H HE2 . PHE 73 73 ? A -53.767 2.844 34.940 1.000 1 A 46.320 1
ATOM 1303 H HZ . PHE 73 73 ? A -55.538 4.576 34.739 1.000 1 A 46.320 1
ATOM 1304 N N . SER 74 74 ? A -50.051 5.491 28.449 1.000 1 A 43.100 1
ATOM 1305 C CA . SER 74 74 ? A -49.603 6.446 27.412 1.000 1 A 43.100 1
ATOM 1306 C C . SER 74 74 ? A -50.000 5.896 26.047 1.000 1 A 43.100 1
ATOM 1307 O O . SER 74 74 ? A -50.083 6.732 25.123 1.000 1 A 43.100 1
ATOM 1308 C CB . SER 74 74 ? A -48.088 6.647 27.413 1.000 1 A 43.100 1
ATOM 1309 O OG . SER 74 74 ? A -47.736 7.413 26.279 1.000 1 A 43.100 1
ATOM 1310 O OXT . SER 74 74 ? A -50.093 4.656 25.952 1.000 1 A 43.100 1
ATOM 1311 H H . SER 74 74 ? A -50.695 4.800 28.091 1.000 1 A 43.100 1
ATOM 1312 H HA . SER 74 74 ? A -50.100 7.408 27.537 1.000 1 A 43.100 1
ATOM 1313 H HB2 . SER 74 74 ? A -47.602 5.673 27.359 1.000 1 A 43.100 1
ATOM 1314 H HB3 . SER 74 74 ? A -47.772 7.161 28.321 1.000 1 A 43.100 1
ATOM 1315 H HG . SER 74 74 ? A -48.468 7.311 25.667 1.000 1 A 43.100 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 69.607

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 58.640
2 1 A 2 PHE 2 63.700
3 1 A 3 TYR 2 71.510
4 1 A 4 ARG 2 73.070
5 1 A 5 GLU 2 75.630
6 1 A 6 LYS 2 76.900
7 1 A 7 VAL 2 79.340
8 1 A 8 PHE 2 81.100
9 1 A 9 LEU 2 78.000
10 1 A 10 ALA 2 80.580
11 1 A 11 TYR 2 80.080
12 1 A 12 GLU 2 79.530
13 1 A 13 CYS 2 77.700
14 1 A 14 THR 2 79.850
15 1 A 15 TRP 2 76.620
16 1 A 16 PHE 2 76.100
17 1 A 17 ARG 2 76.310
18 1 A 18 THR 2 75.010
19 1 A 19 LEU 2 74.400
20 1 A 20 LYS 2 74.630
21 1 A 21 LYS 2 75.390
22 1 A 22 ASN 2 73.660
23 1 A 23 LYS 2 71.540
24 1 A 24 ARG 2 73.870
25 1 A 25 ASN 2 72.600
26 1 A 26 TYR 2 74.850
27 1 A 27 LEU 2 78.750
28 1 A 28 ILE 2 82.080
29 1 A 29 LEU 2 82.090
30 1 A 30 ALA 2 80.220
31 1 A 31 VAL 2 87.000
32 1 A 32 ILE 2 87.000
33 1 A 33 PHE 2 84.820
34 1 A 34 PHE 2 84.060
35 1 A 35 GLN 2 84.550
36 1 A 36 LEU 2 82.300
37 1 A 37 ALA 2 79.790
38 1 A 38 THR 2 78.340
39 1 A 39 SER 2 74.870
40 1 A 40 GLN 2 72.700
41 1 A 41 VAL 2 66.910
42 1 A 42 THR 2 65.240
43 1 A 43 LYS 2 66.280
44 1 A 44 GLU 2 66.020
45 1 A 45 LEU 2 61.940
46 1 A 46 HIS 2 68.320
47 1 A 47 CYS 2 65.400
48 1 A 48 SER 2 69.470
49 1 A 49 PHE 2 69.310
50 1 A 50 ILE 2 69.220
51 1 A 51 LEU 2 65.920
52 1 A 52 ARG 2 67.330
53 1 A 53 LYS 2 67.470
54 1 A 54 ARG 2 63.550
55 1 A 55 LEU 2 61.750
56 1 A 56 ASN 2 61.450
57 1 A 57 PHE 2 59.620
58 1 A 58 GLY 2 62.570
59 1 A 59 GLN 2 59.200
60 1 A 60 LYS 2 58.450
61 1 A 61 LYS 2 58.850
62 1 A 62 SER 2 56.490
63 1 A 63 TYR 2 55.490
64 1 A 64 LEU 2 54.910
65 1 A 65 ILE 2 59.170
66 1 A 66 LYS 2 60.580
67 1 A 67 ASN 2 53.660
68 1 A 68 PRO 2 57.050
69 1 A 69 HIS 2 58.650
70 1 A 70 ARG 2 53.480
71 1 A 71 SER 2 55.000
72 1 A 72 PHE 2 53.590
73 1 A 73 PHE 2 46.320
74 1 A 74 SER 2 43.100

_database_2.database_id ModelArchive
_database_2.database_code ma-asfv-asfvg-012
_database_2.pdbx_DOI 10.5452/ma-asfv-asfvg-012

_pdbx_database_status.entry_id ma-asfv-asfvg-012
_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'