|
|
data_1GZZ |
|
|
|
|
|
_entry.id 1GZZ |
|
|
|
|
|
_audit_conform.dict_name mmcif_pdbx.dic |
|
|
_audit_conform.dict_version 5.399 |
|
|
_audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic |
|
|
|
|
|
loop_ |
|
|
_database_2.database_id |
|
|
_database_2.database_code |
|
|
_database_2.pdbx_database_accession |
|
|
_database_2.pdbx_DOI |
|
|
PDB 1GZZ pdb_00001gzz 10.2210/pdb1gzz/pdb |
|
|
PDBE EBI-9910 ? ? |
|
|
WWPDB D_1290009910 ? ? |
|
|
|
|
|
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 2002-07-25 |
|
|
2 'Structure model' 1 1 2011-07-13 |
|
|
3 'Structure model' 1 2 2019-05-08 |
|
|
4 'Structure model' 1 3 2019-07-24 |
|
|
5 'Structure model' 1 4 2023-12-13 |
|
|
6 'Structure model' 1 5 2024-11-20 |
|
|
|
|
|
_pdbx_audit_revision_details.ordinal 1 |
|
|
_pdbx_audit_revision_details.revision_ordinal 1 |
|
|
_pdbx_audit_revision_details.data_content_type 'Structure model' |
|
|
_pdbx_audit_revision_details.provider repository |
|
|
_pdbx_audit_revision_details.type 'Initial release' |
|
|
_pdbx_audit_revision_details.description ? |
|
|
_pdbx_audit_revision_details.details ? |
|
|
|
|
|
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' Advisory |
|
|
2 2 'Structure model' 'Version format compliance' |
|
|
3 3 'Structure model' Advisory |
|
|
4 3 'Structure model' 'Data collection' |
|
|
5 3 'Structure model' 'Experimental preparation' |
|
|
6 3 'Structure model' Other |
|
|
7 4 'Structure model' 'Data collection' |
|
|
8 5 'Structure model' Advisory |
|
|
9 5 'Structure model' 'Data collection' |
|
|
10 5 'Structure model' 'Database references' |
|
|
11 5 'Structure model' 'Refinement description' |
|
|
12 6 'Structure model' 'Structure summary' |
|
|
|
|
|
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 3 'Structure model' database_PDB_rev |
|
|
2 3 'Structure model' database_PDB_rev_record |
|
|
3 3 'Structure model' exptl_crystal_grow |
|
|
4 3 'Structure model' pdbx_database_proc |
|
|
5 3 'Structure model' pdbx_database_status |
|
|
6 3 'Structure model' pdbx_unobs_or_zero_occ_atoms |
|
|
7 4 'Structure model' diffrn_source |
|
|
8 5 'Structure model' chem_comp_atom |
|
|
9 5 'Structure model' chem_comp_bond |
|
|
10 5 'Structure model' database_2 |
|
|
11 5 'Structure model' pdbx_initial_refinement_model |
|
|
12 5 'Structure model' pdbx_unobs_or_zero_occ_atoms |
|
|
13 6 'Structure model' pdbx_entry_details |
|
|
14 6 'Structure model' pdbx_modification_feature |
|
|
|
|
|
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 3 'Structure model' '_exptl_crystal_grow.method' |
|
|
2 3 'Structure model' '_pdbx_database_status.recvd_author_approval' |
|
|
3 4 'Structure model' '_diffrn_source.pdbx_synchrotron_site' |
|
|
4 5 'Structure model' '_database_2.pdbx_DOI' |
|
|
5 5 'Structure model' '_database_2.pdbx_database_accession' |
|
|
6 6 'Structure model' '_pdbx_entry_details.has_protein_modification' |
|
|
|
|
|
_pdbx_database_status.status_code REL |
|
|
_pdbx_database_status.entry_id 1GZZ |
|
|
_pdbx_database_status.deposit_site PDBE |
|
|
_pdbx_database_status.process_site PDBE |
|
|
_pdbx_database_status.SG_entry . |
|
|
_pdbx_database_status.recvd_initial_deposition_date 2002-06-10 |
|
|
_pdbx_database_status.pdb_format_compatible Y |
|
|
_pdbx_database_status.status_code_sf ? |
|
|
_pdbx_database_status.status_code_mr ? |
|
|
_pdbx_database_status.status_code_cs ? |
|
|
_pdbx_database_status.methods_development_category ? |
|
|
_pdbx_database_status.status_code_nmr_data ? |
|
|
|
|
|
loop_ |
|
|
_pdbx_database_related.db_name |
|
|
_pdbx_database_related.db_id |
|
|
_pdbx_database_related.content_type |
|
|
_pdbx_database_related.details |
|
|
PDB 1GZR unspecified 'HUMAN INSULIN-LIKE GROWTH FACTOR; ESRF DATA' |
|
|
PDB 1GZY unspecified 'HUMAN INSULIN-LIKE GROWTH FACTOR; IN-HOUSE DATA' |
|
|
PDB 1H02 unspecified 'HUMAN INSULIN-LIKE GROWTH FACTOR; DARESBURY DATA' |
|
|
PDB 1H59 unspecified 'COMPLEX OF IGFBP-5 WITH IGF-I' |
|
|
PDB 1IMX unspecified '1.8 ANGSTROM CRYSTAL STRUCTURE OF IGF-1' |
|
|
PDB 2GF1 unspecified 'INSULIN-LIKE GROWTH FACTOR (NMR, MINIMUM AVERAGE STRUCTURE)' |
|
|
PDB 3GF1 unspecified 'INSULIN-LIKE GROWTH FACTOR (NMR, 10 STRUCTURES)' |
|
|
|
|
|
loop_ |
|
|
_audit_author.name |
|
|
_audit_author.pdbx_ordinal |
|
|
'Brzozowski, A.M.' 1 |
|
|
'Dodson, E.J.' 2 |
|
|
'Dodson, G.G.' 3 |
|
|
'Murshudov, G.' 4 |
|
|
'Verma, C.' 5 |
|
|
'Turkenburg, J.P.' 6 |
|
|
'De Bree, F.M.' 7 |
|
|
'Dauter, Z.' 8 |
|
|
|
|
|
_citation.id primary |
|
|
_citation.title |
|
|
'Structural Origins of the Functional Divergence of Human Insulin-Like Growth Factor-I and Insulin' |
|
|
_citation.journal_abbrev Biochemistry |
|
|
_citation.journal_volume 41 |
|
|
_citation.page_first 9389 |
|
|
_citation.page_last ? |
|
|
_citation.year 2002 |
|
|
_citation.journal_id_ASTM BICHAW |
|
|
_citation.country US |
|
|
_citation.journal_id_ISSN 0006-2960 |
|
|
_citation.journal_id_CSD 0033 |
|
|
_citation.book_publisher ? |
|
|
_citation.pdbx_database_id_PubMed 12135360 |
|
|
_citation.pdbx_database_id_DOI 10.1021/BI020084J |
|
|
|
|
|
loop_ |
|
|
_citation_author.citation_id |
|
|
_citation_author.name |
|
|
_citation_author.ordinal |
|
|
_citation_author.identifier_ORCID |
|
|
primary 'Brzozowski, A.M.' 1 ? |
|
|
primary 'Dodson, E.J.' 2 ? |
|
|
primary 'Dodson, G.G.' 3 ? |
|
|
primary 'Murshudov, G.' 4 ? |
|
|
primary 'Verma, C.' 5 ? |
|
|
primary 'Turkenburg, J.P.' 6 ? |
|
|
primary 'De Bree, F.M.' 7 ? |
|
|
primary 'Dauter, Z.' 8 ? |
|
|
|
|
|
loop_ |
|
|
_entity.id |
|
|
_entity.type |
|
|
_entity.src_method |
|
|
_entity.pdbx_description |
|
|
_entity.formula_weight |
|
|
_entity.pdbx_number_of_molecules |
|
|
_entity.pdbx_ec |
|
|
_entity.pdbx_mutation |
|
|
_entity.pdbx_fragment |
|
|
_entity.details |
|
|
1 polymer man 'INSULIN-LIKE GROWTH FACTOR I' 7663.752 1 ? ? ? ? |
|
|
2 non-polymer syn N-DODECYL-N,N-DIMETHYL-3-AMMONIO-1-PROPANESULFONATE 336.554 1 ? ? ? ? |
|
|
3 water nat water 18.015 13 ? ? ? ? |
|
|
|
|
|
_entity_name_com.entity_id 1 |
|
|
_entity_name_com.name 'SOMATOMEDIN C, IGF1, IBP1' |
|
|
|
|
|
_entity_poly.entity_id 1 |
|
|
_entity_poly.type 'polypeptide(L)' |
|
|
_entity_poly.nstd_linkage no |
|
|
_entity_poly.nstd_monomer no |
|
|
_entity_poly.pdbx_seq_one_letter_code GPETLCGAELVDALQFVCGDRGFYFNKPTGYGSSSRRAPQTGIVDECCFRSCDLRRLEMYCAPLKPAKSA |
|
|
_entity_poly.pdbx_seq_one_letter_code_can GPETLCGAELVDALQFVCGDRGFYFNKPTGYGSSSRRAPQTGIVDECCFRSCDLRRLEMYCAPLKPAKSA |
|
|
_entity_poly.pdbx_strand_id B |
|
|
_entity_poly.pdbx_target_identifier ? |
|
|
|
|
|
loop_ |
|
|
_pdbx_entity_nonpoly.entity_id |
|
|
_pdbx_entity_nonpoly.name |
|
|
_pdbx_entity_nonpoly.comp_id |
|
|
2 N-DODECYL-N,N-DIMETHYL-3-AMMONIO-1-PROPANESULFONATE C15 |
|
|
3 water HOH |
|
|
|
|
|
loop_ |
|
|
_entity_poly_seq.entity_id |
|
|
_entity_poly_seq.num |
|
|
_entity_poly_seq.mon_id |
|
|
_entity_poly_seq.hetero |
|
|
1 1 GLY n |
|
|
1 2 PRO n |
|
|
1 3 GLU n |
|
|
1 4 THR n |
|
|
1 5 LEU n |
|
|
1 6 CYS n |
|
|
1 7 GLY n |
|
|
1 8 ALA n |
|
|
1 9 GLU n |
|
|
1 10 LEU n |
|
|
1 11 VAL n |
|
|
1 12 ASP n |
|
|
1 13 ALA n |
|
|
1 14 LEU n |
|
|
1 15 GLN n |
|
|
1 16 PHE n |
|
|
1 17 VAL n |
|
|
1 18 CYS n |
|
|
1 19 GLY n |
|
|
1 20 ASP n |
|
|
1 21 ARG n |
|
|
1 22 GLY n |
|
|
1 23 PHE n |
|
|
1 24 TYR n |
|
|
1 25 PHE n |
|
|
1 26 ASN n |
|
|
1 27 LYS n |
|
|
1 28 PRO n |
|
|
1 29 THR n |
|
|
1 30 GLY n |
|
|
1 31 TYR n |
|
|
1 32 GLY n |
|
|
1 33 SER n |
|
|
1 34 SER n |
|
|
1 35 SER n |
|
|
1 36 ARG n |
|
|
1 37 ARG n |
|
|
1 38 ALA n |
|
|
1 39 PRO n |
|
|
1 40 GLN n |
|
|
1 41 THR n |
|
|
1 42 GLY n |
|
|
1 43 ILE n |
|
|
1 44 VAL n |
|
|
1 45 ASP n |
|
|
1 46 GLU n |
|
|
1 47 CYS n |
|
|
1 48 CYS n |
|
|
1 49 PHE n |
|
|
1 50 ARG n |
|
|
1 51 SER n |
|
|
1 52 CYS n |
|
|
1 53 ASP n |
|
|
1 54 LEU n |
|
|
1 55 ARG n |
|
|
1 56 ARG n |
|
|
1 57 LEU n |
|
|
1 58 GLU n |
|
|
1 59 MET n |
|
|
1 60 TYR n |
|
|
1 61 CYS n |
|
|
1 62 ALA n |
|
|
1 63 PRO n |
|
|
1 64 LEU n |
|
|
1 65 LYS n |
|
|
1 66 PRO n |
|
|
1 67 ALA n |
|
|
1 68 LYS n |
|
|
1 69 SER n |
|
|
1 70 ALA n |
|
|
|
|
|
_entity_src_gen.entity_id 1 |
|
|
_entity_src_gen.pdbx_src_id 1 |
|
|
_entity_src_gen.pdbx_alt_source_flag sample |
|
|
_entity_src_gen.pdbx_seq_type ? |
|
|
_entity_src_gen.pdbx_beg_seq_num ? |
|
|
_entity_src_gen.pdbx_end_seq_num ? |
|
|
_entity_src_gen.gene_src_common_name HUMAN |
|
|
_entity_src_gen.gene_src_genus ? |
|
|
_entity_src_gen.pdbx_gene_src_gene ? |
|
|
_entity_src_gen.gene_src_species ? |
|
|
_entity_src_gen.gene_src_strain ? |
|
|
_entity_src_gen.gene_src_tissue ? |
|
|
_entity_src_gen.gene_src_tissue_fraction ? |
|
|
_entity_src_gen.gene_src_details ? |
|
|
_entity_src_gen.pdbx_gene_src_fragment ? |
|
|
_entity_src_gen.pdbx_gene_src_scientific_name 'HOMO SAPIENS' |
|
|
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 9606 |
|
|
_entity_src_gen.pdbx_gene_src_variant ? |
|
|
_entity_src_gen.pdbx_gene_src_cell_line ? |
|
|
_entity_src_gen.pdbx_gene_src_atcc ? |
|
|
_entity_src_gen.pdbx_gene_src_organ ? |
|
|
_entity_src_gen.pdbx_gene_src_organelle ? |
|
|
_entity_src_gen.pdbx_gene_src_cell ? |
|
|
_entity_src_gen.pdbx_gene_src_cellular_location ? |
|
|
_entity_src_gen.host_org_common_name ? |
|
|
_entity_src_gen.pdbx_host_org_scientific_name 'ESCHERICHIA COLI' |
|
|
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 562 |
|
|
_entity_src_gen.host_org_genus ? |
|
|
_entity_src_gen.pdbx_host_org_gene ? |
|
|
_entity_src_gen.pdbx_host_org_organ ? |
|
|
_entity_src_gen.host_org_species ? |
|
|
_entity_src_gen.pdbx_host_org_tissue ? |
|
|
_entity_src_gen.pdbx_host_org_tissue_fraction ? |
|
|
_entity_src_gen.pdbx_host_org_strain ? |
|
|
_entity_src_gen.pdbx_host_org_variant ? |
|
|
_entity_src_gen.pdbx_host_org_cell_line ? |
|
|
_entity_src_gen.pdbx_host_org_atcc ? |
|
|
_entity_src_gen.pdbx_host_org_culture_collection ? |
|
|
_entity_src_gen.pdbx_host_org_cell ? |
|
|
_entity_src_gen.pdbx_host_org_organelle ? |
|
|
_entity_src_gen.pdbx_host_org_cellular_location ? |
|
|
_entity_src_gen.pdbx_host_org_vector_type ? |
|
|
_entity_src_gen.pdbx_host_org_vector ? |
|
|
_entity_src_gen.host_org_details ? |
|
|
_entity_src_gen.expression_system_id ? |
|
|
_entity_src_gen.plasmid_name ? |
|
|
_entity_src_gen.plasmid_details ? |
|
|
_entity_src_gen.pdbx_description ? |
|
|
|
|
|
loop_ |
|
|
_chem_comp.id |
|
|
_chem_comp.type |
|
|
_chem_comp.mon_nstd_flag |
|
|
_chem_comp.name |
|
|
_chem_comp.pdbx_synonyms |
|
|
_chem_comp.formula |
|
|
_chem_comp.formula_weight |
|
|
ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 |
|
|
ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 |
|
|
ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 |
|
|
ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 |
|
|
C15 non-polymer . N-DODECYL-N,N-DIMETHYL-3-AMMONIO-1-PROPANESULFONATE ? 'C17 H38 N O3 S 1' 336.554 |
|
|
CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 |
|
|
GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 |
|
|
GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 |
|
|
GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 |
|
|
HOH non-polymer . WATER ? 'H2 O' 18.015 |
|
|
ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 |
|
|
LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 |
|
|
LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 |
|
|
MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 |
|
|
PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 |
|
|
PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 |
|
|
SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 |
|
|
THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 |
|
|
TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 |
|
|
VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 |
|
|
|
|
|
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.ndb_seq_num |
|
|
_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 |
|
|
_pdbx_poly_seq_scheme.hetero |
|
|
A 1 1 GLY 1 1 1 GLY GLY B . n |
|
|
A 1 2 PRO 2 2 2 PRO PRO B . n |
|
|
A 1 3 GLU 3 3 3 GLU GLU B . n |
|
|
A 1 4 THR 4 4 4 THR THR B . n |
|
|
A 1 5 LEU 5 5 5 LEU LEU B . n |
|
|
A 1 6 CYS 6 6 6 CYS CYS B . n |
|
|
A 1 7 GLY 7 7 7 GLY GLY B . n |
|
|
A 1 8 ALA 8 8 8 ALA ALA B . n |
|
|
A 1 9 GLU 9 9 9 GLU GLU B . n |
|
|
A 1 10 LEU 10 10 10 LEU LEU B . n |
|
|
A 1 11 VAL 11 11 11 VAL VAL B . n |
|
|
A 1 12 ASP 12 12 12 ASP ASP B . n |
|
|
A 1 13 ALA 13 13 13 ALA ALA B . n |
|
|
A 1 14 LEU 14 14 14 LEU LEU B . n |
|
|
A 1 15 GLN 15 15 15 GLN GLN B . n |
|
|
A 1 16 PHE 16 16 16 PHE PHE B . n |
|
|
A 1 17 VAL 17 17 17 VAL VAL B . n |
|
|
A 1 18 CYS 18 18 18 CYS CYS B . n |
|
|
A 1 19 GLY 19 19 19 GLY GLY B . n |
|
|
A 1 20 ASP 20 20 20 ASP ASP B . n |
|
|
A 1 21 ARG 21 21 21 ARG ARG B . n |
|
|
A 1 22 GLY 22 22 22 GLY GLY B . n |
|
|
A 1 23 PHE 23 23 23 PHE PHE B . n |
|
|
A 1 24 TYR 24 24 24 TYR TYR B . n |
|
|
A 1 25 PHE 25 25 25 PHE PHE B . n |
|
|
A 1 26 ASN 26 26 26 ASN ASN B . n |
|
|
A 1 27 LYS 27 27 27 LYS LYS B . n |
|
|
A 1 28 PRO 28 28 28 PRO PRO B . n |
|
|
A 1 29 THR 29 29 29 THR THR B . n |
|
|
A 1 30 GLY 30 30 30 GLY GLY B . n |
|
|
A 1 31 TYR 31 31 31 TYR TYR B . n |
|
|
A 1 32 GLY 32 32 ? ? ? B . n |
|
|
A 1 33 SER 33 33 ? ? ? B . n |
|
|
A 1 34 SER 34 34 ? ? ? B . n |
|
|
A 1 35 SER 35 35 ? ? ? B . n |
|
|
A 1 36 ARG 36 36 ? ? ? B . n |
|
|
A 1 37 ARG 37 37 ? ? ? B . n |
|
|
A 1 38 ALA 38 38 38 ALA ALA B . n |
|
|
A 1 39 PRO 39 39 39 PRO PRO B . n |
|
|
A 1 40 GLN 40 40 40 GLN GLN B . n |
|
|
A 1 41 THR 41 41 41 THR THR B . n |
|
|
A 1 42 GLY 42 42 42 GLY GLY B . n |
|
|
A 1 43 ILE 43 43 43 ILE ILE B . n |
|
|
A 1 44 VAL 44 44 44 VAL VAL B . n |
|
|
A 1 45 ASP 45 45 45 ASP ASP B . n |
|
|
A 1 46 GLU 46 46 46 GLU GLU B . n |
|
|
A 1 47 CYS 47 47 47 CYS CYS B . n |
|
|
A 1 48 CYS 48 48 48 CYS CYS B . n |
|
|
A 1 49 PHE 49 49 49 PHE PHE B . n |
|
|
A 1 50 ARG 50 50 50 ARG ARG B . n |
|
|
A 1 51 SER 51 51 51 SER SER B . n |
|
|
A 1 52 CYS 52 52 52 CYS CYS B . n |
|
|
A 1 53 ASP 53 53 53 ASP ASP B . n |
|
|
A 1 54 LEU 54 54 54 LEU LEU B . n |
|
|
A 1 55 ARG 55 55 55 ARG ARG B . n |
|
|
A 1 56 ARG 56 56 56 ARG ARG B . n |
|
|
A 1 57 LEU 57 57 57 LEU LEU B . n |
|
|
A 1 58 GLU 58 58 58 GLU GLU B . n |
|
|
A 1 59 MET 59 59 59 MET MET B . n |
|
|
A 1 60 TYR 60 60 60 TYR TYR B . n |
|
|
A 1 61 CYS 61 61 61 CYS CYS B . n |
|
|
A 1 62 ALA 62 62 62 ALA ALA B . n |
|
|
A 1 63 PRO 63 63 63 PRO PRO B . n |
|
|
A 1 64 LEU 64 64 64 LEU LEU B . n |
|
|
A 1 65 LYS 65 65 65 LYS LYS B . n |
|
|
A 1 66 PRO 66 66 66 PRO PRO B . n |
|
|
A 1 67 ALA 67 67 ? ? ? B . n |
|
|
A 1 68 LYS 68 68 ? ? ? B . n |
|
|
A 1 69 SER 69 69 ? ? ? B . n |
|
|
A 1 70 ALA 70 70 ? ? ? B . n |
|
|
|
|
|
loop_ |
|
|
_pdbx_nonpoly_scheme.asym_id |
|
|
_pdbx_nonpoly_scheme.entity_id |
|
|
_pdbx_nonpoly_scheme.mon_id |
|
|
_pdbx_nonpoly_scheme.ndb_seq_num |
|
|
_pdbx_nonpoly_scheme.pdb_seq_num |
|
|
_pdbx_nonpoly_scheme.auth_seq_num |
|
|
_pdbx_nonpoly_scheme.pdb_mon_id |
|
|
_pdbx_nonpoly_scheme.auth_mon_id |
|
|
_pdbx_nonpoly_scheme.pdb_strand_id |
|
|
_pdbx_nonpoly_scheme.pdb_ins_code |
|
|
B 2 C15 1 1067 1067 C15 C15 B . |
|
|
C 3 HOH 1 2001 2001 HOH HOH B . |
|
|
C 3 HOH 2 2002 2002 HOH HOH B . |
|
|
C 3 HOH 3 2003 2003 HOH HOH B . |
|
|
C 3 HOH 4 2004 2004 HOH HOH B . |
|
|
C 3 HOH 5 2005 2005 HOH HOH B . |
|
|
C 3 HOH 6 2006 2006 HOH HOH B . |
|
|
C 3 HOH 7 2007 2007 HOH HOH B . |
|
|
C 3 HOH 8 2008 2008 HOH HOH B . |
|
|
C 3 HOH 9 2009 2009 HOH HOH B . |
|
|
C 3 HOH 10 2010 2010 HOH HOH B . |
|
|
C 3 HOH 11 2011 2011 HOH HOH B . |
|
|
C 3 HOH 12 2012 2012 HOH HOH B . |
|
|
C 3 HOH 13 2013 2013 HOH HOH B . |
|
|
|
|
|
loop_ |
|
|
_pdbx_unobs_or_zero_occ_atoms.id |
|
|
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num |
|
|
_pdbx_unobs_or_zero_occ_atoms.polymer_flag |
|
|
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag |
|
|
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id |
|
|
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id |
|
|
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id |
|
|
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code |
|
|
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id |
|
|
_pdbx_unobs_or_zero_occ_atoms.label_alt_id |
|
|
_pdbx_unobs_or_zero_occ_atoms.label_asym_id |
|
|
_pdbx_unobs_or_zero_occ_atoms.label_comp_id |
|
|
_pdbx_unobs_or_zero_occ_atoms.label_seq_id |
|
|
_pdbx_unobs_or_zero_occ_atoms.label_atom_id |
|
|
1 1 Y 0 B LYS 27 ? CE ? A LYS 27 CE |
|
|
2 1 Y 0 B LYS 27 ? NZ ? A LYS 27 NZ |
|
|
3 1 N 1 B C15 1067 ? C1N ? B C15 1 C1N |
|
|
4 1 N 1 B C15 1067 ? C2N ? B C15 1 C2N |
|
|
|
|
|
loop_ |
|
|
_software.name |
|
|
_software.classification |
|
|
_software.version |
|
|
_software.citation_id |
|
|
_software.pdbx_ordinal |
|
|
REFMAC refinement 5.1.19 ? 1 |
|
|
DENZO 'data reduction' . ? 2 |
|
|
SCALEPACK 'data scaling' . ? 3 |
|
|
AMoRE phasing . ? 4 |
|
|
|
|
|
_cell.entry_id 1GZZ |
|
|
_cell.length_a 30.723 |
|
|
_cell.length_b 69.282 |
|
|
_cell.length_c 64.528 |
|
|
_cell.angle_alpha 90.00 |
|
|
_cell.angle_beta 90.00 |
|
|
_cell.angle_gamma 90.00 |
|
|
_cell.Z_PDB 8 |
|
|
_cell.pdbx_unique_axis ? |
|
|
|
|
|
_symmetry.entry_id 1GZZ |
|
|
_symmetry.space_group_name_H-M 'C 2 2 21' |
|
|
_symmetry.pdbx_full_space_group_name_H-M ? |
|
|
_symmetry.cell_setting ? |
|
|
_symmetry.Int_Tables_number 20 |
|
|
|
|
|
_exptl.entry_id 1GZZ |
|
|
_exptl.method 'X-RAY DIFFRACTION' |
|
|
_exptl.crystals_number 1 |
|
|
|
|
|
_exptl_crystal.id 1 |
|
|
_exptl_crystal.density_meas ? |
|
|
_exptl_crystal.density_Matthews 2.5 |
|
|
_exptl_crystal.density_percent_sol 50 |
|
|
_exptl_crystal.description ? |
|
|
|
|
|
_exptl_crystal_grow.crystal_id 1 |
|
|
_exptl_crystal_grow.method 'VAPOR DIFFUSION, HANGING DROP' |
|
|
_exptl_crystal_grow.temp ? |
|
|
_exptl_crystal_grow.temp_details ? |
|
|
_exptl_crystal_grow.pH 7.50 |
|
|
_exptl_crystal_grow.pdbx_pH_range ? |
|
|
_exptl_crystal_grow.pdbx_details |
|
|
;THE PROTEIN WAS CRYSTALLIZED BY THE HANGING DROP METHOD IN WHICH DROPS WERE COMPOSED OF VARIOUS RATIOS OF HIGF-I AT 7MG/ML (IN H2O) WITH RESERVOIR SOLUTION CONSISTING OF 0.1M TRIS.HCL PH 7.5, 12-15% (W/V) PEG 2K AND 5MM SB12 DETERGENT. |
|
|
; |
|
|
|
|
|
_diffrn.id 1 |
|
|
_diffrn.ambient_temp 293.0 |
|
|
_diffrn.ambient_temp_details ? |
|
|
_diffrn.crystal_id 1 |
|
|
|
|
|
_diffrn_detector.diffrn_id 1 |
|
|
_diffrn_detector.detector 'IMAGE PLATE' |
|
|
_diffrn_detector.type MARRESEARCH |
|
|
_diffrn_detector.pdbx_collection_date ? |
|
|
_diffrn_detector.details ? |
|
|
|
|
|
_diffrn_radiation.diffrn_id 1 |
|
|
_diffrn_radiation.wavelength_id 1 |
|
|
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l M |
|
|
_diffrn_radiation.monochromator ? |
|
|
_diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' |
|
|
_diffrn_radiation.pdbx_scattering_type x-ray |
|
|
|
|
|
_diffrn_radiation_wavelength.id 1 |
|
|
_diffrn_radiation_wavelength.wavelength 0.83 |
|
|
_diffrn_radiation_wavelength.wt 1.0 |
|
|
|
|
|
_diffrn_source.diffrn_id 1 |
|
|
_diffrn_source.source SYNCHROTRON |
|
|
_diffrn_source.type 'EMBL/DESY, HAMBURG BEAMLINE BW7B' |
|
|
_diffrn_source.pdbx_synchrotron_site 'EMBL/DESY, HAMBURG' |
|
|
_diffrn_source.pdbx_synchrotron_beamline BW7B |
|
|
_diffrn_source.pdbx_wavelength 0.83 |
|
|
_diffrn_source.pdbx_wavelength_list ? |
|
|
|
|
|
_reflns.pdbx_diffrn_id 1 |
|
|
_reflns.pdbx_ordinal 1 |
|
|
_reflns.entry_id 1GZZ |
|
|
_reflns.observed_criterion_sigma_I ? |
|
|
_reflns.observed_criterion_sigma_F ? |
|
|
_reflns.d_resolution_low 20.000 |
|
|
_reflns.d_resolution_high 2.300 |
|
|
_reflns.number_obs 3285 |
|
|
_reflns.number_all ? |
|
|
_reflns.percent_possible_obs 96.1 |
|
|
_reflns.pdbx_Rmerge_I_obs 0.07400 |
|
|
_reflns.pdbx_Rsym_value ? |
|
|
_reflns.pdbx_netI_over_sigmaI ? |
|
|
_reflns.B_iso_Wilson_estimate ? |
|
|
_reflns.pdbx_redundancy 5.900 |
|
|
|
|
|
_reflns_shell.pdbx_diffrn_id 1 |
|
|
_reflns_shell.pdbx_ordinal 1 |
|
|
_reflns_shell.d_res_high 2.30 |
|
|
_reflns_shell.d_res_low 2.34 |
|
|
_reflns_shell.percent_possible_all 96.7 |
|
|
_reflns_shell.Rmerge_I_obs 0.45400 |
|
|
_reflns_shell.pdbx_Rsym_value ? |
|
|
_reflns_shell.meanI_over_sigI_obs ? |
|
|
_reflns_shell.pdbx_redundancy ? |
|
|
|
|
|
_refine.pdbx_refine_id 'X-RAY DIFFRACTION' |
|
|
_refine.entry_id 1GZZ |
|
|
_refine.pdbx_diffrn_id 1 |
|
|
_refine.pdbx_TLS_residual_ADP_flag 'LIKELY RESIDUAL' |
|
|
_refine.ls_number_reflns_obs 2840 |
|
|
_refine.ls_number_reflns_all ? |
|
|
_refine.pdbx_ls_sigma_I ? |
|
|
_refine.pdbx_ls_sigma_F ? |
|
|
_refine.pdbx_data_cutoff_high_absF ? |
|
|
_refine.pdbx_data_cutoff_low_absF ? |
|
|
_refine.pdbx_data_cutoff_high_rms_absF ? |
|
|
_refine.ls_d_res_low 25.00 |
|
|
_refine.ls_d_res_high 2.30 |
|
|
_refine.ls_percent_reflns_obs 96.1 |
|
|
_refine.ls_R_factor_obs 0.238 |
|
|
_refine.ls_R_factor_all ? |
|
|
_refine.ls_R_factor_R_work 0.234 |
|
|
_refine.ls_R_factor_R_free 0.275 |
|
|
_refine.ls_R_factor_R_free_error ? |
|
|
_refine.ls_R_factor_R_free_error_details ? |
|
|
_refine.ls_percent_reflns_R_free 9.600 |
|
|
_refine.ls_number_reflns_R_free 301 |
|
|
_refine.ls_number_parameters ? |
|
|
_refine.ls_number_restraints ? |
|
|
_refine.occupancy_min ? |
|
|
_refine.occupancy_max ? |
|
|
_refine.correlation_coeff_Fo_to_Fc 0.919 |
|
|
_refine.correlation_coeff_Fo_to_Fc_free 0.903 |
|
|
_refine.B_iso_mean ? |
|
|
_refine.aniso_B[1][1] ? |
|
|
_refine.aniso_B[2][2] ? |
|
|
_refine.aniso_B[3][3] ? |
|
|
_refine.aniso_B[1][2] ? |
|
|
_refine.aniso_B[1][3] ? |
|
|
_refine.aniso_B[2][3] ? |
|
|
_refine.solvent_model_details 'BABINET MODEL WITH MASK' |
|
|
_refine.solvent_model_param_ksol ? |
|
|
_refine.solvent_model_param_bsol ? |
|
|
_refine.pdbx_solvent_vdw_probe_radii 1.40 |
|
|
_refine.pdbx_solvent_ion_probe_radii 0.80 |
|
|
_refine.pdbx_solvent_shrinkage_radii 0.80 |
|
|
_refine.pdbx_ls_cross_valid_method THROUGHOUT |
|
|
_refine.details |
|
|
;THE GEOMETRY OF THE N- AND CREMARK 3 T BREAK IN THE MAIN CHAIN, IS DIFFICULT TO DETERMINE FORM THE LOCAL ELECTRON DENSITY. THEY HAVE INTENTIONALLY NOT BEEN REGULARISED. |
|
|
; |
|
|
_refine.pdbx_starting_model 'PDB ENTRY 4INS' |
|
|
_refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' |
|
|
_refine.pdbx_isotropic_thermal_model ? |
|
|
_refine.pdbx_stereochemistry_target_values 'MAXIMUM LIKELIHOOD' |
|
|
_refine.pdbx_stereochem_target_val_spec_case ? |
|
|
_refine.pdbx_R_Free_selection_details RANDOM |
|
|
_refine.pdbx_overall_ESU_R 0.428 |
|
|
_refine.pdbx_overall_ESU_R_Free 0.276 |
|
|
_refine.overall_SU_ML 0.128 |
|
|
_refine.pdbx_overall_phase_error ? |
|
|
_refine.overall_SU_B 5.137 |
|
|
_refine.overall_SU_R_Cruickshank_DPI ? |
|
|
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? |
|
|
_refine.pdbx_overall_SU_R_Blow_DPI ? |
|
|
_refine.pdbx_overall_SU_R_free_Blow_DPI ? |
|
|
|
|
|
_refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' |
|
|
_refine_hist.cycle_id LAST |
|
|
_refine_hist.pdbx_number_atoms_protein 463 |
|
|
_refine_hist.pdbx_number_atoms_nucleic_acid 0 |
|
|
_refine_hist.pdbx_number_atoms_ligand 20 |
|
|
_refine_hist.number_atoms_solvent 13 |
|
|
_refine_hist.number_atoms_total 496 |
|
|
_refine_hist.d_res_high 2.30 |
|
|
_refine_hist.d_res_low 25.00 |
|
|
|
|
|
loop_ |
|
|
_refine_ls_restr.type |
|
|
_refine_ls_restr.dev_ideal |
|
|
_refine_ls_restr.dev_ideal_target |
|
|
_refine_ls_restr.weight |
|
|
_refine_ls_restr.number |
|
|
_refine_ls_restr.pdbx_refine_id |
|
|
_refine_ls_restr.pdbx_restraint_function |
|
|
r_bond_refined_d 0.011 0.021 ? 493 'X-RAY DIFFRACTION' ? |
|
|
r_bond_other_d ? ? ? ? 'X-RAY DIFFRACTION' ? |
|
|
r_angle_refined_deg ? ? ? ? 'X-RAY DIFFRACTION' ? |
|
|
r_angle_other_deg 3.259 2.027 ? 663 'X-RAY DIFFRACTION' ? |
|
|
r_dihedral_angle_1_deg ? ? ? ? 'X-RAY DIFFRACTION' ? |
|
|
r_dihedral_angle_2_deg ? ? ? ? 'X-RAY DIFFRACTION' ? |
|
|
r_dihedral_angle_3_deg ? ? ? ? 'X-RAY DIFFRACTION' ? |
|
|
r_dihedral_angle_4_deg ? ? ? ? 'X-RAY DIFFRACTION' ? |
|
|
r_chiral_restr 9.596 5.000 ? 58 'X-RAY DIFFRACTION' ? |
|
|
r_gen_planes_refined 0.004 0.020 ? 368 'X-RAY DIFFRACTION' ? |
|
|
r_gen_planes_other ? ? ? ? 'X-RAY DIFFRACTION' ? |
|
|
r_nbd_refined 0.297 0.200 ? 191 'X-RAY DIFFRACTION' ? |
|
|
r_nbd_other ? ? ? ? 'X-RAY DIFFRACTION' ? |
|
|
r_nbtor_refined ? ? ? ? 'X-RAY DIFFRACTION' ? |
|
|
r_nbtor_other ? ? ? ? 'X-RAY DIFFRACTION' ? |
|
|
r_xyhbond_nbd_refined 0.150 0.200 ? 16 'X-RAY DIFFRACTION' ? |
|
|
r_xyhbond_nbd_other ? ? ? ? 'X-RAY DIFFRACTION' ? |
|
|
r_metal_ion_refined ? ? ? ? 'X-RAY DIFFRACTION' ? |
|
|
r_metal_ion_other ? ? ? ? 'X-RAY DIFFRACTION' ? |
|
|
r_symmetry_vdw_refined 0.348 0.200 ? 28 'X-RAY DIFFRACTION' ? |
|
|
r_symmetry_vdw_other ? ? ? ? 'X-RAY DIFFRACTION' ? |
|
|
r_symmetry_hbond_refined 0.481 0.200 ? 6 'X-RAY DIFFRACTION' ? |
|
|
r_symmetry_hbond_other ? ? ? ? 'X-RAY DIFFRACTION' ? |
|
|
r_symmetry_metal_ion_refined ? ? ? ? 'X-RAY DIFFRACTION' ? |
|
|
r_symmetry_metal_ion_other ? ? ? ? 'X-RAY DIFFRACTION' ? |
|
|
r_mcbond_it 1.215 1.500 ? 297 'X-RAY DIFFRACTION' ? |
|
|
r_mcbond_other ? ? ? ? 'X-RAY DIFFRACTION' ? |
|
|
r_mcangle_it 1.912 2.000 ? 474 'X-RAY DIFFRACTION' ? |
|
|
r_mcangle_other ? ? ? ? 'X-RAY DIFFRACTION' ? |
|
|
r_scbond_it 3.357 3.000 ? 196 'X-RAY DIFFRACTION' ? |
|
|
r_scbond_other ? ? ? ? 'X-RAY DIFFRACTION' ? |
|
|
r_scangle_it 4.989 4.500 ? 189 'X-RAY DIFFRACTION' ? |
|
|
r_scangle_other ? ? ? ? 'X-RAY DIFFRACTION' ? |
|
|
r_long_range_B_refined ? ? ? ? 'X-RAY DIFFRACTION' ? |
|
|
r_long_range_B_other ? ? ? ? 'X-RAY DIFFRACTION' ? |
|
|
r_rigid_bond_restr ? ? ? ? 'X-RAY DIFFRACTION' ? |
|
|
r_sphericity_free ? ? ? ? 'X-RAY DIFFRACTION' ? |
|
|
r_sphericity_bonded ? ? ? ? 'X-RAY DIFFRACTION' ? |
|
|
|
|
|
_refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' |
|
|
_refine_ls_shell.pdbx_total_number_of_bins_used 20 |
|
|
_refine_ls_shell.d_res_high 2.30 |
|
|
_refine_ls_shell.d_res_low 2.36 |
|
|
_refine_ls_shell.number_reflns_R_work 190 |
|
|
_refine_ls_shell.R_factor_R_work 0.3810 |
|
|
_refine_ls_shell.percent_reflns_obs ? |
|
|
_refine_ls_shell.R_factor_R_free 0.5050 |
|
|
_refine_ls_shell.R_factor_R_free_error ? |
|
|
_refine_ls_shell.percent_reflns_R_free ? |
|
|
_refine_ls_shell.number_reflns_R_free 24 |
|
|
_refine_ls_shell.number_reflns_all ? |
|
|
_refine_ls_shell.R_factor_all ? |
|
|
|
|
|
_database_PDB_matrix.entry_id 1GZZ |
|
|
_database_PDB_matrix.origx[1][1] 1.000000 |
|
|
_database_PDB_matrix.origx[1][2] 0.000000 |
|
|
_database_PDB_matrix.origx[1][3] 0.000000 |
|
|
_database_PDB_matrix.origx[2][1] 0.000000 |
|
|
_database_PDB_matrix.origx[2][2] 1.000000 |
|
|
_database_PDB_matrix.origx[2][3] 0.000000 |
|
|
_database_PDB_matrix.origx[3][1] 0.000000 |
|
|
_database_PDB_matrix.origx[3][2] 0.000000 |
|
|
_database_PDB_matrix.origx[3][3] 1.000000 |
|
|
_database_PDB_matrix.origx_vector[1] 0.00000 |
|
|
_database_PDB_matrix.origx_vector[2] 0.00000 |
|
|
_database_PDB_matrix.origx_vector[3] 0.00000 |
|
|
|
|
|
_struct.entry_id 1GZZ |
|
|
_struct.title 'Human Insulin-like growth factor; Hamburg data' |
|
|
_struct.pdbx_model_details ? |
|
|
_struct.pdbx_CASP_flag ? |
|
|
_struct.pdbx_model_type_details ? |
|
|
|
|
|
_struct_keywords.entry_id 1GZZ |
|
|
_struct_keywords.pdbx_keywords 'GROWTH FACTOR' |
|
|
_struct_keywords.text 'GROWTH FACTOR, INSULIN FAMILY, IGF-1, PLASMA' |
|
|
|
|
|
loop_ |
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|
_struct_asym.id |
|
|
_struct_asym.pdbx_blank_PDB_chainid_flag |
|
|
_struct_asym.pdbx_modified |
|
|
_struct_asym.entity_id |
|
|
_struct_asym.details |
|
|
A N N 1 ? |
|
|
B N N 2 ? |
|
|
C N N 3 ? |
|
|
|
|
|
_struct_ref.id 1 |
|
|
_struct_ref.db_name UNP |
|
|
_struct_ref.db_code IGFA_HUMAN |
|
|
_struct_ref.entity_id 1 |
|
|
_struct_ref.pdbx_seq_one_letter_code ? |
|
|
_struct_ref.pdbx_align_begin ? |
|
|
_struct_ref.pdbx_db_accession P01343 |
|
|
_struct_ref.pdbx_db_isoform ? |
|
|
|
|
|
_struct_ref_seq.align_id 1 |
|
|
_struct_ref_seq.ref_id 1 |
|
|
_struct_ref_seq.pdbx_PDB_id_code 1GZZ |
|
|
_struct_ref_seq.pdbx_strand_id B |
|
|
_struct_ref_seq.seq_align_beg 1 |
|
|
_struct_ref_seq.pdbx_seq_align_beg_ins_code ? |
|
|
_struct_ref_seq.seq_align_end 70 |
|
|
_struct_ref_seq.pdbx_seq_align_end_ins_code ? |
|
|
_struct_ref_seq.pdbx_db_accession P01343 |
|
|
_struct_ref_seq.db_align_beg 49 |
|
|
_struct_ref_seq.pdbx_db_align_beg_ins_code ? |
|
|
_struct_ref_seq.db_align_end 118 |
|
|
_struct_ref_seq.pdbx_db_align_end_ins_code ? |
|
|
_struct_ref_seq.pdbx_auth_seq_align_beg 1 |
|
|
_struct_ref_seq.pdbx_auth_seq_align_end 70 |
|
|
|
|
|
_pdbx_struct_assembly.id 1 |
|
|
_pdbx_struct_assembly.details author_and_software_defined_assembly |
|
|
_pdbx_struct_assembly.method_details PQS |
|
|
_pdbx_struct_assembly.oligomeric_details monomeric |
|
|
_pdbx_struct_assembly.oligomeric_count 1 |
|
|
|
|
|
_pdbx_struct_assembly_gen.assembly_id 1 |
|
|
_pdbx_struct_assembly_gen.oper_expression 1 |
|
|
_pdbx_struct_assembly_gen.asym_id_list A,B,C |
|
|
|
|
|
_pdbx_struct_oper_list.id 1 |
|
|
_pdbx_struct_oper_list.type 'identity operation' |
|
|
_pdbx_struct_oper_list.name 1_555 |
|
|
_pdbx_struct_oper_list.symmetry_operation x,y,z |
|
|
_pdbx_struct_oper_list.matrix[1][1] 1.0000000000 |
|
|
_pdbx_struct_oper_list.matrix[1][2] 0.0000000000 |
|
|
_pdbx_struct_oper_list.matrix[1][3] 0.0000000000 |
|
|
_pdbx_struct_oper_list.vector[1] 0.0000000000 |
|
|
_pdbx_struct_oper_list.matrix[2][1] 0.0000000000 |
|
|
_pdbx_struct_oper_list.matrix[2][2] 1.0000000000 |
|
|
_pdbx_struct_oper_list.matrix[2][3] 0.0000000000 |
|
|
_pdbx_struct_oper_list.vector[2] 0.0000000000 |
|
|
_pdbx_struct_oper_list.matrix[3][1] 0.0000000000 |
|
|
_pdbx_struct_oper_list.matrix[3][2] 0.0000000000 |
|
|
_pdbx_struct_oper_list.matrix[3][3] 1.0000000000 |
|
|
_pdbx_struct_oper_list.vector[3] 0.0000000000 |
|
|
|
|
|
_struct_biol.id 1 |
|
|
|
|
|
loop_ |
|
|
_struct_conf.conf_type_id |
|
|
_struct_conf.id |
|
|
_struct_conf.pdbx_PDB_helix_id |
|
|
_struct_conf.beg_label_comp_id |
|
|
_struct_conf.beg_label_asym_id |
|
|
_struct_conf.beg_label_seq_id |
|
|
_struct_conf.pdbx_beg_PDB_ins_code |
|
|
_struct_conf.end_label_comp_id |
|
|
_struct_conf.end_label_asym_id |
|
|
_struct_conf.end_label_seq_id |
|
|
_struct_conf.pdbx_end_PDB_ins_code |
|
|
_struct_conf.beg_auth_comp_id |
|
|
_struct_conf.beg_auth_asym_id |
|
|
_struct_conf.beg_auth_seq_id |
|
|
_struct_conf.end_auth_comp_id |
|
|
_struct_conf.end_auth_asym_id |
|
|
_struct_conf.end_auth_seq_id |
|
|
_struct_conf.pdbx_PDB_helix_class |
|
|
_struct_conf.details |
|
|
_struct_conf.pdbx_PDB_helix_length |
|
|
HELX_P HELX_P1 1 CYS A 6 ? GLY A 19 ? CYS B 6 GLY B 19 1 ? 14 |
|
|
HELX_P HELX_P2 2 ASP A 20 ? GLY A 22 ? ASP B 20 GLY B 22 5 ? 3 |
|
|
HELX_P HELX_P3 3 GLY A 42 ? CYS A 48 ? GLY B 42 CYS B 48 1 ? 7 |
|
|
HELX_P HELX_P4 4 ASP A 53 ? MET A 59 ? ASP B 53 MET B 59 1 ? 7 |
|
|
|
|
|
_struct_conf_type.id HELX_P |
|
|
_struct_conf_type.criteria ? |
|
|
_struct_conf_type.reference ? |
|
|
|
|
|
loop_ |
|
|
_struct_conn.id |
|
|
_struct_conn.conn_type_id |
|
|
_struct_conn.pdbx_leaving_atom_flag |
|
|
_struct_conn.pdbx_PDB_id |
|
|
_struct_conn.ptnr1_label_asym_id |
|
|
_struct_conn.ptnr1_label_comp_id |
|
|
_struct_conn.ptnr1_label_seq_id |
|
|
_struct_conn.ptnr1_label_atom_id |
|
|
_struct_conn.pdbx_ptnr1_label_alt_id |
|
|
_struct_conn.pdbx_ptnr1_PDB_ins_code |
|
|
_struct_conn.pdbx_ptnr1_standard_comp_id |
|
|
_struct_conn.ptnr1_symmetry |
|
|
_struct_conn.ptnr2_label_asym_id |
|
|
_struct_conn.ptnr2_label_comp_id |
|
|
_struct_conn.ptnr2_label_seq_id |
|
|
_struct_conn.ptnr2_label_atom_id |
|
|
_struct_conn.pdbx_ptnr2_label_alt_id |
|
|
_struct_conn.pdbx_ptnr2_PDB_ins_code |
|
|
_struct_conn.ptnr1_auth_asym_id |
|
|
_struct_conn.ptnr1_auth_comp_id |
|
|
_struct_conn.ptnr1_auth_seq_id |
|
|
_struct_conn.ptnr2_auth_asym_id |
|
|
_struct_conn.ptnr2_auth_comp_id |
|
|
_struct_conn.ptnr2_auth_seq_id |
|
|
_struct_conn.ptnr2_symmetry |
|
|
_struct_conn.pdbx_ptnr3_label_atom_id |
|
|
_struct_conn.pdbx_ptnr3_label_seq_id |
|
|
_struct_conn.pdbx_ptnr3_label_comp_id |
|
|
_struct_conn.pdbx_ptnr3_label_asym_id |
|
|
_struct_conn.pdbx_ptnr3_label_alt_id |
|
|
_struct_conn.pdbx_ptnr3_PDB_ins_code |
|
|
_struct_conn.details |
|
|
_struct_conn.pdbx_dist_value |
|
|
_struct_conn.pdbx_value_order |
|
|
_struct_conn.pdbx_role |
|
|
disulf1 disulf ? ? A CYS 6 SG ? ? ? 1_555 A CYS 48 SG ? ? B CYS 6 B CYS 48 1_555 ? ? ? ? ? ? ? 2.015 ? ? |
|
|
disulf2 disulf ? ? A CYS 18 SG ? ? ? 1_555 A CYS 61 SG ? ? B CYS 18 B CYS 61 1_555 ? ? ? ? ? ? ? 1.993 ? ? |
|
|
disulf3 disulf ? ? A CYS 47 SG ? ? ? 1_555 A CYS 52 SG ? ? B CYS 47 B CYS 52 1_555 ? ? ? ? ? ? ? 2.013 ? ? |
|
|
|
|
|
_struct_conn_type.id disulf |
|
|
_struct_conn_type.criteria ? |
|
|
_struct_conn_type.reference ? |
|
|
|
|
|
loop_ |
|
|
_pdbx_modification_feature.ordinal |
|
|
_pdbx_modification_feature.label_comp_id |
|
|
_pdbx_modification_feature.label_asym_id |
|
|
_pdbx_modification_feature.label_seq_id |
|
|
_pdbx_modification_feature.label_alt_id |
|
|
_pdbx_modification_feature.modified_residue_label_comp_id |
|
|
_pdbx_modification_feature.modified_residue_label_asym_id |
|
|
_pdbx_modification_feature.modified_residue_label_seq_id |
|
|
_pdbx_modification_feature.modified_residue_label_alt_id |
|
|
_pdbx_modification_feature.auth_comp_id |
|
|
_pdbx_modification_feature.auth_asym_id |
|
|
_pdbx_modification_feature.auth_seq_id |
|
|
_pdbx_modification_feature.PDB_ins_code |
|
|
_pdbx_modification_feature.symmetry |
|
|
_pdbx_modification_feature.modified_residue_auth_comp_id |
|
|
_pdbx_modification_feature.modified_residue_auth_asym_id |
|
|
_pdbx_modification_feature.modified_residue_auth_seq_id |
|
|
_pdbx_modification_feature.modified_residue_PDB_ins_code |
|
|
_pdbx_modification_feature.modified_residue_symmetry |
|
|
_pdbx_modification_feature.comp_id_linking_atom |
|
|
_pdbx_modification_feature.modified_residue_id_linking_atom |
|
|
_pdbx_modification_feature.modified_residue_id |
|
|
_pdbx_modification_feature.ref_pcm_id |
|
|
_pdbx_modification_feature.ref_comp_id |
|
|
_pdbx_modification_feature.type |
|
|
_pdbx_modification_feature.category |
|
|
1 CYS A 6 ? CYS A 48 ? CYS B 6 ? 1_555 CYS B 48 ? 1_555 SG SG . . . None 'Disulfide bridge' |
|
|
2 CYS A 18 ? CYS A 61 ? CYS B 18 ? 1_555 CYS B 61 ? 1_555 SG SG . . . None 'Disulfide bridge' |
|
|
3 CYS A 47 ? CYS A 52 ? CYS B 47 ? 1_555 CYS B 52 ? 1_555 SG SG . . . None 'Disulfide bridge' |
|
|
|
|
|
_struct_mon_prot_cis.pdbx_id 1 |
|
|
_struct_mon_prot_cis.label_comp_id GLY |
|
|
_struct_mon_prot_cis.label_seq_id 30 |
|
|
_struct_mon_prot_cis.label_asym_id A |
|
|
_struct_mon_prot_cis.label_alt_id . |
|
|
_struct_mon_prot_cis.pdbx_PDB_ins_code ? |
|
|
_struct_mon_prot_cis.auth_comp_id GLY |
|
|
_struct_mon_prot_cis.auth_seq_id 30 |
|
|
_struct_mon_prot_cis.auth_asym_id B |
|
|
_struct_mon_prot_cis.pdbx_label_comp_id_2 TYR |
|
|
_struct_mon_prot_cis.pdbx_label_seq_id_2 31 |
|
|
_struct_mon_prot_cis.pdbx_label_asym_id_2 A |
|
|
_struct_mon_prot_cis.pdbx_PDB_ins_code_2 ? |
|
|
_struct_mon_prot_cis.pdbx_auth_comp_id_2 TYR |
|
|
_struct_mon_prot_cis.pdbx_auth_seq_id_2 31 |
|
|
_struct_mon_prot_cis.pdbx_auth_asym_id_2 B |
|
|
_struct_mon_prot_cis.pdbx_PDB_model_num 1 |
|
|
_struct_mon_prot_cis.pdbx_omega_angle 13.75 |
|
|
|
|
|
_struct_site.id AC1 |
|
|
_struct_site.pdbx_evidence_code Software |
|
|
_struct_site.pdbx_auth_asym_id ? |
|
|
_struct_site.pdbx_auth_comp_id ? |
|
|
_struct_site.pdbx_auth_seq_id ? |
|
|
_struct_site.pdbx_auth_ins_code ? |
|
|
_struct_site.pdbx_num_residues 4 |
|
|
_struct_site.details 'BINDING SITE FOR RESIDUE C15 B1067' |
|
|
|
|
|
loop_ |
|
|
_struct_site_gen.id |
|
|
_struct_site_gen.site_id |
|
|
_struct_site_gen.pdbx_num_res |
|
|
_struct_site_gen.label_comp_id |
|
|
_struct_site_gen.label_asym_id |
|
|
_struct_site_gen.label_seq_id |
|
|
_struct_site_gen.pdbx_auth_ins_code |
|
|
_struct_site_gen.auth_comp_id |
|
|
_struct_site_gen.auth_asym_id |
|
|
_struct_site_gen.auth_seq_id |
|
|
_struct_site_gen.label_atom_id |
|
|
_struct_site_gen.label_alt_id |
|
|
_struct_site_gen.symmetry |
|
|
_struct_site_gen.details |
|
|
1 AC1 4 PHE A 16 ? PHE B 16 . ? 1_555 ? |
|
|
2 AC1 4 PHE A 25 ? PHE B 25 . ? 1_555 ? |
|
|
3 AC1 4 ASN A 26 ? ASN B 26 . ? 1_555 ? |
|
|
4 AC1 4 TYR A 31 ? TYR B 31 . ? 1_555 ? |
|
|
|
|
|
_pdbx_entry_details.entry_id 1GZZ |
|
|
_pdbx_entry_details.compound_details |
|
|
;INSULIN-LIKE GROWTH FACTORS,ARE FUNCTIONALLY AND |
|
|
STRUCTURALLY RELATED TO INSULIN WITH HIGHER GROWTH-PROMOTING |
|
|
ACTIVITY. |
|
|
; |
|
|
_pdbx_entry_details.source_details ? |
|
|
_pdbx_entry_details.nonpolymer_details ? |
|
|
_pdbx_entry_details.sequence_details ? |
|
|
_pdbx_entry_details.has_ligand_of_interest ? |
|
|
_pdbx_entry_details.has_protein_modification Y |
|
|
|
|
|
loop_ |
|
|
_pdbx_validate_close_contact.id |
|
|
_pdbx_validate_close_contact.PDB_model_num |
|
|
_pdbx_validate_close_contact.auth_atom_id_1 |
|
|
_pdbx_validate_close_contact.auth_asym_id_1 |
|
|
_pdbx_validate_close_contact.auth_comp_id_1 |
|
|
_pdbx_validate_close_contact.auth_seq_id_1 |
|
|
_pdbx_validate_close_contact.PDB_ins_code_1 |
|
|
_pdbx_validate_close_contact.label_alt_id_1 |
|
|
_pdbx_validate_close_contact.auth_atom_id_2 |
|
|
_pdbx_validate_close_contact.auth_asym_id_2 |
|
|
_pdbx_validate_close_contact.auth_comp_id_2 |
|
|
_pdbx_validate_close_contact.auth_seq_id_2 |
|
|
_pdbx_validate_close_contact.PDB_ins_code_2 |
|
|
_pdbx_validate_close_contact.label_alt_id_2 |
|
|
_pdbx_validate_close_contact.dist |
|
|
1 1 O B LYS 65 ? ? CD B PRO 66 ? ? 1.22 |
|
|
2 1 C B LYS 65 ? ? CD B PRO 66 ? ? 1.29 |
|
|
3 1 NE B ARG 55 ? ? O B HOH 2013 ? ? 2.09 |
|
|
|
|
|
_pdbx_validate_symm_contact.id 1 |
|
|
_pdbx_validate_symm_contact.PDB_model_num 1 |
|
|
_pdbx_validate_symm_contact.auth_atom_id_1 O |
|
|
_pdbx_validate_symm_contact.auth_asym_id_1 B |
|
|
_pdbx_validate_symm_contact.auth_comp_id_1 PHE |
|
|
_pdbx_validate_symm_contact.auth_seq_id_1 23 |
|
|
_pdbx_validate_symm_contact.PDB_ins_code_1 ? |
|
|
_pdbx_validate_symm_contact.label_alt_id_1 ? |
|
|
_pdbx_validate_symm_contact.site_symmetry_1 1_555 |
|
|
_pdbx_validate_symm_contact.auth_atom_id_2 O |
|
|
_pdbx_validate_symm_contact.auth_asym_id_2 B |
|
|
_pdbx_validate_symm_contact.auth_comp_id_2 GLY |
|
|
_pdbx_validate_symm_contact.auth_seq_id_2 30 |
|
|
_pdbx_validate_symm_contact.PDB_ins_code_2 ? |
|
|
_pdbx_validate_symm_contact.label_alt_id_2 ? |
|
|
_pdbx_validate_symm_contact.site_symmetry_2 4_556 |
|
|
_pdbx_validate_symm_contact.dist 2.16 |
|
|
|
|
|
_pdbx_validate_rmsd_bond.id 1 |
|
|
_pdbx_validate_rmsd_bond.PDB_model_num 1 |
|
|
_pdbx_validate_rmsd_bond.auth_atom_id_1 CD |
|
|
_pdbx_validate_rmsd_bond.auth_asym_id_1 B |
|
|
_pdbx_validate_rmsd_bond.auth_comp_id_1 LYS |
|
|
_pdbx_validate_rmsd_bond.auth_seq_id_1 27 |
|
|
_pdbx_validate_rmsd_bond.PDB_ins_code_1 ? |
|
|
_pdbx_validate_rmsd_bond.label_alt_id_1 ? |
|
|
_pdbx_validate_rmsd_bond.auth_atom_id_2 CE |
|
|
_pdbx_validate_rmsd_bond.auth_asym_id_2 B |
|
|
_pdbx_validate_rmsd_bond.auth_comp_id_2 LYS |
|
|
_pdbx_validate_rmsd_bond.auth_seq_id_2 27 |
|
|
_pdbx_validate_rmsd_bond.PDB_ins_code_2 ? |
|
|
_pdbx_validate_rmsd_bond.label_alt_id_2 ? |
|
|
_pdbx_validate_rmsd_bond.bond_value 0.561 |
|
|
_pdbx_validate_rmsd_bond.bond_target_value 1.508 |
|
|
_pdbx_validate_rmsd_bond.bond_deviation -0.947 |
|
|
_pdbx_validate_rmsd_bond.bond_standard_deviation 0.025 |
|
|
_pdbx_validate_rmsd_bond.linker_flag N |
|
|
|
|
|
loop_ |
|
|
_pdbx_validate_rmsd_angle.id |
|
|
_pdbx_validate_rmsd_angle.PDB_model_num |
|
|
_pdbx_validate_rmsd_angle.auth_atom_id_1 |
|
|
_pdbx_validate_rmsd_angle.auth_asym_id_1 |
|
|
_pdbx_validate_rmsd_angle.auth_comp_id_1 |
|
|
_pdbx_validate_rmsd_angle.auth_seq_id_1 |
|
|
_pdbx_validate_rmsd_angle.PDB_ins_code_1 |
|
|
_pdbx_validate_rmsd_angle.label_alt_id_1 |
|
|
_pdbx_validate_rmsd_angle.auth_atom_id_2 |
|
|
_pdbx_validate_rmsd_angle.auth_asym_id_2 |
|
|
_pdbx_validate_rmsd_angle.auth_comp_id_2 |
|
|
_pdbx_validate_rmsd_angle.auth_seq_id_2 |
|
|
_pdbx_validate_rmsd_angle.PDB_ins_code_2 |
|
|
_pdbx_validate_rmsd_angle.label_alt_id_2 |
|
|
_pdbx_validate_rmsd_angle.auth_atom_id_3 |
|
|
_pdbx_validate_rmsd_angle.auth_asym_id_3 |
|
|
_pdbx_validate_rmsd_angle.auth_comp_id_3 |
|
|
_pdbx_validate_rmsd_angle.auth_seq_id_3 |
|
|
_pdbx_validate_rmsd_angle.PDB_ins_code_3 |
|
|
_pdbx_validate_rmsd_angle.label_alt_id_3 |
|
|
_pdbx_validate_rmsd_angle.angle_value |
|
|
_pdbx_validate_rmsd_angle.angle_target_value |
|
|
_pdbx_validate_rmsd_angle.angle_deviation |
|
|
_pdbx_validate_rmsd_angle.angle_standard_deviation |
|
|
_pdbx_validate_rmsd_angle.linker_flag |
|
|
1 1 CB B ASP 53 ? ? CG B ASP 53 ? ? OD2 B ASP 53 ? ? 123.99 118.30 5.69 0.90 N |
|
|
2 1 C B LYS 65 ? ? N B PRO 66 ? ? CA B PRO 66 ? ? 150.44 119.30 31.14 1.50 Y |
|
|
3 1 C B LYS 65 ? ? N B PRO 66 ? ? CD B PRO 66 ? ? 54.51 128.40 -73.89 2.10 Y |
|
|
4 1 CA B PRO 66 ? ? N B PRO 66 ? ? CD B PRO 66 ? ? 95.93 111.70 -15.77 1.40 N |
|
|
|
|
|
loop_ |
|
|
_pdbx_validate_torsion.id |
|
|
_pdbx_validate_torsion.PDB_model_num |
|
|
_pdbx_validate_torsion.auth_comp_id |
|
|
_pdbx_validate_torsion.auth_asym_id |
|
|
_pdbx_validate_torsion.auth_seq_id |
|
|
_pdbx_validate_torsion.PDB_ins_code |
|
|
_pdbx_validate_torsion.label_alt_id |
|
|
_pdbx_validate_torsion.phi |
|
|
_pdbx_validate_torsion.psi |
|
|
1 1 PRO B 2 ? ? -47.58 -135.16 |
|
|
2 1 GLU B 3 ? ? 97.01 16.52 |
|
|
3 1 PRO B 39 ? ? -18.95 157.14 |
|
|
|
|
|
_pdbx_refine_tls.pdbx_refine_id 'X-RAY DIFFRACTION' |
|
|
_pdbx_refine_tls.id 1 |
|
|
_pdbx_refine_tls.details ? |
|
|
_pdbx_refine_tls.method refined |
|
|
_pdbx_refine_tls.origin_x 9.9897 |
|
|
_pdbx_refine_tls.origin_y 10.0758 |
|
|
_pdbx_refine_tls.origin_z 29.0018 |
|
|
_pdbx_refine_tls.T[1][1] 0.0188 |
|
|
_pdbx_refine_tls.T[2][2] 0.0470 |
|
|
_pdbx_refine_tls.T[3][3] 0.1165 |
|
|
_pdbx_refine_tls.T[1][2] -0.0060 |
|
|
_pdbx_refine_tls.T[1][3] 0.0446 |
|
|
_pdbx_refine_tls.T[2][3] -0.0364 |
|
|
_pdbx_refine_tls.L[1][1] 14.5499 |
|
|
_pdbx_refine_tls.L[2][2] 10.8206 |
|
|
_pdbx_refine_tls.L[3][3] 11.1099 |
|
|
_pdbx_refine_tls.L[1][2] 1.3143 |
|
|
_pdbx_refine_tls.L[1][3] -3.4405 |
|
|
_pdbx_refine_tls.L[2][3] 0.2277 |
|
|
_pdbx_refine_tls.S[1][1] -0.5918 |
|
|
_pdbx_refine_tls.S[1][2] 0.5956 |
|
|
_pdbx_refine_tls.S[1][3] -0.8524 |
|
|
_pdbx_refine_tls.S[2][1] -0.2139 |
|
|
_pdbx_refine_tls.S[2][2] -0.1223 |
|
|
_pdbx_refine_tls.S[2][3] -0.2143 |
|
|
_pdbx_refine_tls.S[3][1] 1.0330 |
|
|
_pdbx_refine_tls.S[3][2] -0.0782 |
|
|
_pdbx_refine_tls.S[3][3] 0.7141 |
|
|
|
|
|
_pdbx_refine_tls_group.pdbx_refine_id 'X-RAY DIFFRACTION' |
|
|
_pdbx_refine_tls_group.id 1 |
|
|
_pdbx_refine_tls_group.refine_tls_id 1 |
|
|
_pdbx_refine_tls_group.beg_auth_asym_id B |
|
|
_pdbx_refine_tls_group.beg_auth_seq_id 1 |
|
|
_pdbx_refine_tls_group.beg_label_asym_id ? |
|
|
_pdbx_refine_tls_group.beg_label_seq_id ? |
|
|
_pdbx_refine_tls_group.end_auth_asym_id B |
|
|
_pdbx_refine_tls_group.end_auth_seq_id 66 |
|
|
_pdbx_refine_tls_group.end_label_asym_id ? |
|
|
_pdbx_refine_tls_group.end_label_seq_id ? |
|
|
_pdbx_refine_tls_group.selection ? |
|
|
_pdbx_refine_tls_group.selection_details ? |
|
|
|
|
|
loop_ |
|
|
_pdbx_unobs_or_zero_occ_residues.id |
|
|
_pdbx_unobs_or_zero_occ_residues.PDB_model_num |
|
|
_pdbx_unobs_or_zero_occ_residues.polymer_flag |
|
|
_pdbx_unobs_or_zero_occ_residues.occupancy_flag |
|
|
_pdbx_unobs_or_zero_occ_residues.auth_asym_id |
|
|
_pdbx_unobs_or_zero_occ_residues.auth_comp_id |
|
|
_pdbx_unobs_or_zero_occ_residues.auth_seq_id |
|
|
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code |
|
|
_pdbx_unobs_or_zero_occ_residues.label_asym_id |
|
|
_pdbx_unobs_or_zero_occ_residues.label_comp_id |
|
|
_pdbx_unobs_or_zero_occ_residues.label_seq_id |
|
|
1 1 Y 1 B GLY 32 ? A GLY 32 |
|
|
2 1 Y 1 B SER 33 ? A SER 33 |
|
|
3 1 Y 1 B SER 34 ? A SER 34 |
|
|
4 1 Y 1 B SER 35 ? A SER 35 |
|
|
5 1 Y 1 B ARG 36 ? A ARG 36 |
|
|
6 1 Y 1 B ARG 37 ? A ARG 37 |
|
|
7 1 Y 1 B ALA 67 ? A ALA 67 |
|
|
8 1 Y 1 B LYS 68 ? A LYS 68 |
|
|
9 1 Y 1 B SER 69 ? A SER 69 |
|
|
10 1 Y 1 B ALA 70 ? A ALA 70 |
|
|
|
|
|
loop_ |
|
|
_chem_comp_atom.comp_id |
|
|
_chem_comp_atom.atom_id |
|
|
_chem_comp_atom.type_symbol |
|
|
_chem_comp_atom.pdbx_aromatic_flag |
|
|
_chem_comp_atom.pdbx_stereo_config |
|
|
_chem_comp_atom.pdbx_ordinal |
|
|
ALA N N N N 1 |
|
|
ALA CA C N S 2 |
|
|
ALA C C N N 3 |
|
|
ALA O O N N 4 |
|
|
ALA CB C N N 5 |
|
|
ALA OXT O N N 6 |
|
|
ALA H H N N 7 |
|
|
ALA H2 H N N 8 |
|
|
ALA HA H N N 9 |
|
|
ALA HB1 H N N 10 |
|
|
ALA HB2 H N N 11 |
|
|
ALA HB3 H N N 12 |
|
|
ALA HXT H N N 13 |
|
|
ARG N N N N 14 |
|
|
ARG CA C N S 15 |
|
|
ARG C C N N 16 |
|
|
ARG O O N N 17 |
|
|
ARG CB C N N 18 |
|
|
ARG CG C N N 19 |
|
|
ARG CD C N N 20 |
|
|
ARG NE N N N 21 |
|
|
ARG CZ C N N 22 |
|
|
ARG NH1 N N N 23 |
|
|
ARG NH2 N N N 24 |
|
|
ARG OXT O N N 25 |
|
|
ARG H H N N 26 |
|
|
ARG H2 H N N 27 |
|
|
ARG HA H N N 28 |
|
|
ARG HB2 H N N 29 |
|
|
ARG HB3 H N N 30 |
|
|
ARG HG2 H N N 31 |
|
|
ARG HG3 H N N 32 |
|
|
ARG HD2 H N N 33 |
|
|
ARG HD3 H N N 34 |
|
|
ARG HE H N N 35 |
|
|
ARG HH11 H N N 36 |
|
|
ARG HH12 H N N 37 |
|
|
ARG HH21 H N N 38 |
|
|
ARG HH22 H N N 39 |
|
|
ARG HXT H N N 40 |
|
|
ASN N N N N 41 |
|
|
ASN CA C N S 42 |
|
|
ASN C C N N 43 |
|
|
ASN O O N N 44 |
|
|
ASN CB C N N 45 |
|
|
ASN CG C N N 46 |
|
|
ASN OD1 O N N 47 |
|
|
ASN ND2 N N N 48 |
|
|
ASN OXT O N N 49 |
|
|
ASN H H N N 50 |
|
|
ASN H2 H N N 51 |
|
|
ASN HA H N N 52 |
|
|
ASN HB2 H N N 53 |
|
|
ASN HB3 H N N 54 |
|
|
ASN HD21 H N N 55 |
|
|
ASN HD22 H N N 56 |
|
|
ASN HXT H N N 57 |
|
|
ASP N N N N 58 |
|
|
ASP CA C N S 59 |
|
|
ASP C C N N 60 |
|
|
ASP O O N N 61 |
|
|
ASP CB C N N 62 |
|
|
ASP CG C N N 63 |
|
|
ASP OD1 O N N 64 |
|
|
ASP OD2 O N N 65 |
|
|
ASP OXT O N N 66 |
|
|
ASP H H N N 67 |
|
|
ASP H2 H N N 68 |
|
|
ASP HA H N N 69 |
|
|
ASP HB2 H N N 70 |
|
|
ASP HB3 H N N 71 |
|
|
ASP HD2 H N N 72 |
|
|
ASP HXT H N N 73 |
|
|
C15 C1 C N N 74 |
|
|
C15 C2 C N N 75 |
|
|
C15 C3 C N N 76 |
|
|
C15 C5 C N N 77 |
|
|
C15 C6 C N N 78 |
|
|
C15 C7 C N N 79 |
|
|
C15 C8 C N N 80 |
|
|
C15 N1 N N N 81 |
|
|
C15 C1N C N N 82 |
|
|
C15 C2N C N N 83 |
|
|
C15 C9 C N N 84 |
|
|
C15 C10 C N N 85 |
|
|
C15 C11 C N N 86 |
|
|
C15 C12 C N N 87 |
|
|
C15 C13 C N N 88 |
|
|
C15 C14 C N N 89 |
|
|
C15 C15 C N N 90 |
|
|
C15 C16 C N N 91 |
|
|
C15 S1 S N N 92 |
|
|
C15 O1S O N N 93 |
|
|
C15 O2S O N N 94 |
|
|
C15 O3S O N N 95 |
|
|
C15 H1C1 H N N 96 |
|
|
C15 H1C2 H N N 97 |
|
|
C15 H2C1 H N N 98 |
|
|
C15 H2C2 H N N 99 |
|
|
C15 H3C1 H N N 100 |
|
|
C15 H3C2 H N N 101 |
|
|
C15 H5C1 H N N 102 |
|
|
C15 H5C2 H N N 103 |
|
|
C15 H5C3 H N N 104 |
|
|
C15 H6C1 H N N 105 |
|
|
C15 H6C2 H N N 106 |
|
|
C15 H7C1 H N N 107 |
|
|
C15 H7C2 H N N 108 |
|
|
C15 H8C1 H N N 109 |
|
|
C15 H8C2 H N N 110 |
|
|
C15 HCN1 H N N 111 |
|
|
C15 HCN2 H N N 112 |
|
|
C15 HCN3 H N N 113 |
|
|
C15 HCN4 H N N 114 |
|
|
C15 HCN5 H N N 115 |
|
|
C15 HCN6 H N N 116 |
|
|
C15 H9C1 H N N 117 |
|
|
C15 H9C2 H N N 118 |
|
|
C15 H101 H N N 119 |
|
|
C15 H102 H N N 120 |
|
|
C15 H111 H N N 121 |
|
|
C15 H112 H N N 122 |
|
|
C15 H121 H N N 123 |
|
|
C15 H122 H N N 124 |
|
|
C15 H131 H N N 125 |
|
|
C15 H132 H N N 126 |
|
|
C15 H141 H N N 127 |
|
|
C15 H142 H N N 128 |
|
|
C15 H151 H N N 129 |
|
|
C15 H152 H N N 130 |
|
|
C15 H161 H N N 131 |
|
|
C15 H162 H N N 132 |
|
|
C15 H3S H N N 133 |
|
|
CYS N N N N 134 |
|
|
CYS CA C N R 135 |
|
|
CYS C C N N 136 |
|
|
CYS O O N N 137 |
|
|
CYS CB C N N 138 |
|
|
CYS SG S N N 139 |
|
|
CYS OXT O N N 140 |
|
|
CYS H H N N 141 |
|
|
CYS H2 H N N 142 |
|
|
CYS HA H N N 143 |
|
|
CYS HB2 H N N 144 |
|
|
CYS HB3 H N N 145 |
|
|
CYS HG H N N 146 |
|
|
CYS HXT H N N 147 |
|
|
GLN N N N N 148 |
|
|
GLN CA C N S 149 |
|
|
GLN C C N N 150 |
|
|
GLN O O N N 151 |
|
|
GLN CB C N N 152 |
|
|
GLN CG C N N 153 |
|
|
GLN CD C N N 154 |
|
|
GLN OE1 O N N 155 |
|
|
GLN NE2 N N N 156 |
|
|
GLN OXT O N N 157 |
|
|
GLN H H N N 158 |
|
|
GLN H2 H N N 159 |
|
|
GLN HA H N N 160 |
|
|
GLN HB2 H N N 161 |
|
|
GLN HB3 H N N 162 |
|
|
GLN HG2 H N N 163 |
|
|
GLN HG3 H N N 164 |
|
|
GLN HE21 H N N 165 |
|
|
GLN HE22 H N N 166 |
|
|
GLN HXT H N N 167 |
|
|
GLU N N N N 168 |
|
|
GLU CA C N S 169 |
|
|
GLU C C N N 170 |
|
|
GLU O O N N 171 |
|
|
GLU CB C N N 172 |
|
|
GLU CG C N N 173 |
|
|
GLU CD C N N 174 |
|
|
GLU OE1 O N N 175 |
|
|
GLU OE2 O N N 176 |
|
|
GLU OXT O N N 177 |
|
|
GLU H H N N 178 |
|
|
GLU H2 H N N 179 |
|
|
GLU HA H N N 180 |
|
|
GLU HB2 H N N 181 |
|
|
GLU HB3 H N N 182 |
|
|
GLU HG2 H N N 183 |
|
|
GLU HG3 H N N 184 |
|
|
GLU HE2 H N N 185 |
|
|
GLU HXT H N N 186 |
|
|
GLY N N N N 187 |
|
|
GLY CA C N N 188 |
|
|
GLY C C N N 189 |
|
|
GLY O O N N 190 |
|
|
GLY OXT O N N 191 |
|
|
GLY H H N N 192 |
|
|
GLY H2 H N N 193 |
|
|
GLY HA2 H N N 194 |
|
|
GLY HA3 H N N 195 |
|
|
GLY HXT H N N 196 |
|
|
HOH O O N N 197 |
|
|
HOH H1 H N N 198 |
|
|
HOH H2 H N N 199 |
|
|
ILE N N N N 200 |
|
|
ILE CA C N S 201 |
|
|
ILE C C N N 202 |
|
|
ILE O O N N 203 |
|
|
ILE CB C N S 204 |
|
|
ILE CG1 C N N 205 |
|
|
ILE CG2 C N N 206 |
|
|
ILE CD1 C N N 207 |
|
|
ILE OXT O N N 208 |
|
|
ILE H H N N 209 |
|
|
ILE H2 H N N 210 |
|
|
ILE HA H N N 211 |
|
|
ILE HB H N N 212 |
|
|
ILE HG12 H N N 213 |
|
|
ILE HG13 H N N 214 |
|
|
ILE HG21 H N N 215 |
|
|
ILE HG22 H N N 216 |
|
|
ILE HG23 H N N 217 |
|
|
ILE HD11 H N N 218 |
|
|
ILE HD12 H N N 219 |
|
|
ILE HD13 H N N 220 |
|
|
ILE HXT H N N 221 |
|
|
LEU N N N N 222 |
|
|
LEU CA C N S 223 |
|
|
LEU C C N N 224 |
|
|
LEU O O N N 225 |
|
|
LEU CB C N N 226 |
|
|
LEU CG C N N 227 |
|
|
LEU CD1 C N N 228 |
|
|
LEU CD2 C N N 229 |
|
|
LEU OXT O N N 230 |
|
|
LEU H H N N 231 |
|
|
LEU H2 H N N 232 |
|
|
LEU HA H N N 233 |
|
|
LEU HB2 H N N 234 |
|
|
LEU HB3 H N N 235 |
|
|
LEU HG H N N 236 |
|
|
LEU HD11 H N N 237 |
|
|
LEU HD12 H N N 238 |
|
|
LEU HD13 H N N 239 |
|
|
LEU HD21 H N N 240 |
|
|
LEU HD22 H N N 241 |
|
|
LEU HD23 H N N 242 |
|
|
LEU HXT H N N 243 |
|
|
LYS N N N N 244 |
|
|
LYS CA C N S 245 |
|
|
LYS C C N N 246 |
|
|
LYS O O N N 247 |
|
|
LYS CB C N N 248 |
|
|
LYS CG C N N 249 |
|
|
LYS CD C N N 250 |
|
|
LYS CE C N N 251 |
|
|
LYS NZ N N N 252 |
|
|
LYS OXT O N N 253 |
|
|
LYS H H N N 254 |
|
|
LYS H2 H N N 255 |
|
|
LYS HA H N N 256 |
|
|
LYS HB2 H N N 257 |
|
|
LYS HB3 H N N 258 |
|
|
LYS HG2 H N N 259 |
|
|
LYS HG3 H N N 260 |
|
|
LYS HD2 H N N 261 |
|
|
LYS HD3 H N N 262 |
|
|
LYS HE2 H N N 263 |
|
|
LYS HE3 H N N 264 |
|
|
LYS HZ1 H N N 265 |
|
|
LYS HZ2 H N N 266 |
|
|
LYS HZ3 H N N 267 |
|
|
LYS HXT H N N 268 |
|
|
MET N N N N 269 |
|
|
MET CA C N S 270 |
|
|
MET C C N N 271 |
|
|
MET O O N N 272 |
|
|
MET CB C N N 273 |
|
|
MET CG C N N 274 |
|
|
MET SD S N N 275 |
|
|
MET CE C N N 276 |
|
|
MET OXT O N N 277 |
|
|
MET H H N N 278 |
|
|
MET H2 H N N 279 |
|
|
MET HA H N N 280 |
|
|
MET HB2 H N N 281 |
|
|
MET HB3 H N N 282 |
|
|
MET HG2 H N N 283 |
|
|
MET HG3 H N N 284 |
|
|
MET HE1 H N N 285 |
|
|
MET HE2 H N N 286 |
|
|
MET HE3 H N N 287 |
|
|
MET HXT H N N 288 |
|
|
PHE N N N N 289 |
|
|
PHE CA C N S 290 |
|
|
PHE C C N N 291 |
|
|
PHE O O N N 292 |
|
|
PHE CB C N N 293 |
|
|
PHE CG C Y N 294 |
|
|
PHE CD1 C Y N 295 |
|
|
PHE CD2 C Y N 296 |
|
|
PHE CE1 C Y N 297 |
|
|
PHE CE2 C Y N 298 |
|
|
PHE CZ C Y N 299 |
|
|
PHE OXT O N N 300 |
|
|
PHE H H N N 301 |
|
|
PHE H2 H N N 302 |
|
|
PHE HA H N N 303 |
|
|
PHE HB2 H N N 304 |
|
|
PHE HB3 H N N 305 |
|
|
PHE HD1 H N N 306 |
|
|
PHE HD2 H N N 307 |
|
|
PHE HE1 H N N 308 |
|
|
PHE HE2 H N N 309 |
|
|
PHE HZ H N N 310 |
|
|
PHE HXT H N N 311 |
|
|
PRO N N N N 312 |
|
|
PRO CA C N S 313 |
|
|
PRO C C N N 314 |
|
|
PRO O O N N 315 |
|
|
PRO CB C N N 316 |
|
|
PRO CG C N N 317 |
|
|
PRO CD C N N 318 |
|
|
PRO OXT O N N 319 |
|
|
PRO H H N N 320 |
|
|
PRO HA H N N 321 |
|
|
PRO HB2 H N N 322 |
|
|
PRO HB3 H N N 323 |
|
|
PRO HG2 H N N 324 |
|
|
PRO HG3 H N N 325 |
|
|
PRO HD2 H N N 326 |
|
|
PRO HD3 H N N 327 |
|
|
PRO HXT H N N 328 |
|
|
SER N N N N 329 |
|
|
SER CA C N S 330 |
|
|
SER C C N N 331 |
|
|
SER O O N N 332 |
|
|
SER CB C N N 333 |
|
|
SER OG O N N 334 |
|
|
SER OXT O N N 335 |
|
|
SER H H N N 336 |
|
|
SER H2 H N N 337 |
|
|
SER HA H N N 338 |
|
|
SER HB2 H N N 339 |
|
|
SER HB3 H N N 340 |
|
|
SER HG H N N 341 |
|
|
SER HXT H N N 342 |
|
|
THR N N N N 343 |
|
|
THR CA C N S 344 |
|
|
THR C C N N 345 |
|
|
THR O O N N 346 |
|
|
THR CB C N R 347 |
|
|
THR OG1 O N N 348 |
|
|
THR CG2 C N N 349 |
|
|
THR OXT O N N 350 |
|
|
THR H H N N 351 |
|
|
THR H2 H N N 352 |
|
|
THR HA H N N 353 |
|
|
THR HB H N N 354 |
|
|
THR HG1 H N N 355 |
|
|
THR HG21 H N N 356 |
|
|
THR HG22 H N N 357 |
|
|
THR HG23 H N N 358 |
|
|
THR HXT H N N 359 |
|
|
TYR N N N N 360 |
|
|
TYR CA C N S 361 |
|
|
TYR C C N N 362 |
|
|
TYR O O N N 363 |
|
|
TYR CB C N N 364 |
|
|
TYR CG C Y N 365 |
|
|
TYR CD1 C Y N 366 |
|
|
TYR CD2 C Y N 367 |
|
|
TYR CE1 C Y N 368 |
|
|
TYR CE2 C Y N 369 |
|
|
TYR CZ C Y N 370 |
|
|
TYR OH O N N 371 |
|
|
TYR OXT O N N 372 |
|
|
TYR H H N N 373 |
|
|
TYR H2 H N N 374 |
|
|
TYR HA H N N 375 |
|
|
TYR HB2 H N N 376 |
|
|
TYR HB3 H N N 377 |
|
|
TYR HD1 H N N 378 |
|
|
TYR HD2 H N N 379 |
|
|
TYR HE1 H N N 380 |
|
|
TYR HE2 H N N 381 |
|
|
TYR HH H N N 382 |
|
|
TYR HXT H N N 383 |
|
|
VAL N N N N 384 |
|
|
VAL CA C N S 385 |
|
|
VAL C C N N 386 |
|
|
VAL O O N N 387 |
|
|
VAL CB C N N 388 |
|
|
VAL CG1 C N N 389 |
|
|
VAL CG2 C N N 390 |
|
|
VAL OXT O N N 391 |
|
|
VAL H H N N 392 |
|
|
VAL H2 H N N 393 |
|
|
VAL HA H N N 394 |
|
|
VAL HB H N N 395 |
|
|
VAL HG11 H N N 396 |
|
|
VAL HG12 H N N 397 |
|
|
VAL HG13 H N N 398 |
|
|
VAL HG21 H N N 399 |
|
|
VAL HG22 H N N 400 |
|
|
VAL HG23 H N N 401 |
|
|
VAL HXT H N N 402 |
|
|
|
|
|
loop_ |
|
|
_chem_comp_bond.comp_id |
|
|
_chem_comp_bond.atom_id_1 |
|
|
_chem_comp_bond.atom_id_2 |
|
|
_chem_comp_bond.value_order |
|
|
_chem_comp_bond.pdbx_aromatic_flag |
|
|
_chem_comp_bond.pdbx_stereo_config |
|
|
_chem_comp_bond.pdbx_ordinal |
|
|
ALA N CA sing N N 1 |
|
|
ALA N H sing N N 2 |
|
|
ALA N H2 sing N N 3 |
|
|
ALA CA C sing N N 4 |
|
|
ALA CA CB sing N N 5 |
|
|
ALA CA HA sing N N 6 |
|
|
ALA C O doub N N 7 |
|
|
ALA C OXT sing N N 8 |
|
|
ALA CB HB1 sing N N 9 |
|
|
ALA CB HB2 sing N N 10 |
|
|
ALA CB HB3 sing N N 11 |
|
|
ALA OXT HXT sing N N 12 |
|
|
ARG N CA sing N N 13 |
|
|
ARG N H sing N N 14 |
|
|
ARG N H2 sing N N 15 |
|
|
ARG CA C sing N N 16 |
|
|
ARG CA CB sing N N 17 |
|
|
ARG CA HA sing N N 18 |
|
|
ARG C O doub N N 19 |
|
|
ARG C OXT sing N N 20 |
|
|
ARG CB CG sing N N 21 |
|
|
ARG CB HB2 sing N N 22 |
|
|
ARG CB HB3 sing N N 23 |
|
|
ARG CG CD sing N N 24 |
|
|
ARG CG HG2 sing N N 25 |
|
|
ARG CG HG3 sing N N 26 |
|
|
ARG CD NE sing N N 27 |
|
|
ARG CD HD2 sing N N 28 |
|
|
ARG CD HD3 sing N N 29 |
|
|
ARG NE CZ sing N N 30 |
|
|
ARG NE HE sing N N 31 |
|
|
ARG CZ NH1 sing N N 32 |
|
|
ARG CZ NH2 doub N N 33 |
|
|
ARG NH1 HH11 sing N N 34 |
|
|
ARG NH1 HH12 sing N N 35 |
|
|
ARG NH2 HH21 sing N N 36 |
|
|
ARG NH2 HH22 sing N N 37 |
|
|
ARG OXT HXT sing N N 38 |
|
|
ASN N CA sing N N 39 |
|
|
ASN N H sing N N 40 |
|
|
ASN N H2 sing N N 41 |
|
|
ASN CA C sing N N 42 |
|
|
ASN CA CB sing N N 43 |
|
|
ASN CA HA sing N N 44 |
|
|
ASN C O doub N N 45 |
|
|
ASN C OXT sing N N 46 |
|
|
ASN CB CG sing N N 47 |
|
|
ASN CB HB2 sing N N 48 |
|
|
ASN CB HB3 sing N N 49 |
|
|
ASN CG OD1 doub N N 50 |
|
|
ASN CG ND2 sing N N 51 |
|
|
ASN ND2 HD21 sing N N 52 |
|
|
ASN ND2 HD22 sing N N 53 |
|
|
ASN OXT HXT sing N N 54 |
|
|
ASP N CA sing N N 55 |
|
|
ASP N H sing N N 56 |
|
|
ASP N H2 sing N N 57 |
|
|
ASP CA C sing N N 58 |
|
|
ASP CA CB sing N N 59 |
|
|
ASP CA HA sing N N 60 |
|
|
ASP C O doub N N 61 |
|
|
ASP C OXT sing N N 62 |
|
|
ASP CB CG sing N N 63 |
|
|
ASP CB HB2 sing N N 64 |
|
|
ASP CB HB3 sing N N 65 |
|
|
ASP CG OD1 doub N N 66 |
|
|
ASP CG OD2 sing N N 67 |
|
|
ASP OD2 HD2 sing N N 68 |
|
|
ASP OXT HXT sing N N 69 |
|
|
C15 C1 C2 sing N N 70 |
|
|
C15 C1 S1 sing N N 71 |
|
|
C15 C1 H1C1 sing N N 72 |
|
|
C15 C1 H1C2 sing N N 73 |
|
|
C15 C2 C3 sing N N 74 |
|
|
C15 C2 H2C1 sing N N 75 |
|
|
C15 C2 H2C2 sing N N 76 |
|
|
C15 C3 N1 sing N N 77 |
|
|
C15 C3 H3C1 sing N N 78 |
|
|
C15 C3 H3C2 sing N N 79 |
|
|
C15 C5 C6 sing N N 80 |
|
|
C15 C5 H5C1 sing N N 81 |
|
|
C15 C5 H5C2 sing N N 82 |
|
|
C15 C5 H5C3 sing N N 83 |
|
|
C15 C6 C7 sing N N 84 |
|
|
C15 C6 H6C1 sing N N 85 |
|
|
C15 C6 H6C2 sing N N 86 |
|
|
C15 C7 C8 sing N N 87 |
|
|
C15 C7 H7C1 sing N N 88 |
|
|
C15 C7 H7C2 sing N N 89 |
|
|
C15 C8 C9 sing N N 90 |
|
|
C15 C8 H8C1 sing N N 91 |
|
|
C15 C8 H8C2 sing N N 92 |
|
|
C15 N1 C1N sing N N 93 |
|
|
C15 N1 C2N sing N N 94 |
|
|
C15 N1 C16 sing N N 95 |
|
|
C15 C1N HCN1 sing N N 96 |
|
|
C15 C1N HCN2 sing N N 97 |
|
|
C15 C1N HCN3 sing N N 98 |
|
|
C15 C2N HCN4 sing N N 99 |
|
|
C15 C2N HCN5 sing N N 100 |
|
|
C15 C2N HCN6 sing N N 101 |
|
|
C15 C9 C10 sing N N 102 |
|
|
C15 C9 H9C1 sing N N 103 |
|
|
C15 C9 H9C2 sing N N 104 |
|
|
C15 C10 C11 sing N N 105 |
|
|
C15 C10 H101 sing N N 106 |
|
|
C15 C10 H102 sing N N 107 |
|
|
C15 C11 C12 sing N N 108 |
|
|
C15 C11 H111 sing N N 109 |
|
|
C15 C11 H112 sing N N 110 |
|
|
C15 C12 C13 sing N N 111 |
|
|
C15 C12 H121 sing N N 112 |
|
|
C15 C12 H122 sing N N 113 |
|
|
C15 C13 C14 sing N N 114 |
|
|
C15 C13 H131 sing N N 115 |
|
|
C15 C13 H132 sing N N 116 |
|
|
C15 C14 C15 sing N N 117 |
|
|
C15 C14 H141 sing N N 118 |
|
|
C15 C14 H142 sing N N 119 |
|
|
C15 C15 C16 sing N N 120 |
|
|
C15 C15 H151 sing N N 121 |
|
|
C15 C15 H152 sing N N 122 |
|
|
C15 C16 H161 sing N N 123 |
|
|
C15 C16 H162 sing N N 124 |
|
|
C15 S1 O1S doub N N 125 |
|
|
C15 S1 O2S doub N N 126 |
|
|
C15 S1 O3S sing N N 127 |
|
|
C15 O3S H3S sing N N 128 |
|
|
CYS N CA sing N N 129 |
|
|
CYS N H sing N N 130 |
|
|
CYS N H2 sing N N 131 |
|
|
CYS CA C sing N N 132 |
|
|
CYS CA CB sing N N 133 |
|
|
CYS CA HA sing N N 134 |
|
|
CYS C O doub N N 135 |
|
|
CYS C OXT sing N N 136 |
|
|
CYS CB SG sing N N 137 |
|
|
CYS CB HB2 sing N N 138 |
|
|
CYS CB HB3 sing N N 139 |
|
|
CYS SG HG sing N N 140 |
|
|
CYS OXT HXT sing N N 141 |
|
|
GLN N CA sing N N 142 |
|
|
GLN N H sing N N 143 |
|
|
GLN N H2 sing N N 144 |
|
|
GLN CA C sing N N 145 |
|
|
GLN CA CB sing N N 146 |
|
|
GLN CA HA sing N N 147 |
|
|
GLN C O doub N N 148 |
|
|
GLN C OXT sing N N 149 |
|
|
GLN CB CG sing N N 150 |
|
|
GLN CB HB2 sing N N 151 |
|
|
GLN CB HB3 sing N N 152 |
|
|
GLN CG CD sing N N 153 |
|
|
GLN CG HG2 sing N N 154 |
|
|
GLN CG HG3 sing N N 155 |
|
|
GLN CD OE1 doub N N 156 |
|
|
GLN CD NE2 sing N N 157 |
|
|
GLN NE2 HE21 sing N N 158 |
|
|
GLN NE2 HE22 sing N N 159 |
|
|
GLN OXT HXT sing N N 160 |
|
|
GLU N CA sing N N 161 |
|
|
GLU N H sing N N 162 |
|
|
GLU N H2 sing N N 163 |
|
|
GLU CA C sing N N 164 |
|
|
GLU CA CB sing N N 165 |
|
|
GLU CA HA sing N N 166 |
|
|
GLU C O doub N N 167 |
|
|
GLU C OXT sing N N 168 |
|
|
GLU CB CG sing N N 169 |
|
|
GLU CB HB2 sing N N 170 |
|
|
GLU CB HB3 sing N N 171 |
|
|
GLU CG CD sing N N 172 |
|
|
GLU CG HG2 sing N N 173 |
|
|
GLU CG HG3 sing N N 174 |
|
|
GLU CD OE1 doub N N 175 |
|
|
GLU CD OE2 sing N N 176 |
|
|
GLU OE2 HE2 sing N N 177 |
|
|
GLU OXT HXT sing N N 178 |
|
|
GLY N CA sing N N 179 |
|
|
GLY N H sing N N 180 |
|
|
GLY N H2 sing N N 181 |
|
|
GLY CA C sing N N 182 |
|
|
GLY CA HA2 sing N N 183 |
|
|
GLY CA HA3 sing N N 184 |
|
|
GLY C O doub N N 185 |
|
|
GLY C OXT sing N N 186 |
|
|
GLY OXT HXT sing N N 187 |
|
|
HOH O H1 sing N N 188 |
|
|
HOH O H2 sing N N 189 |
|
|
ILE N CA sing N N 190 |
|
|
ILE N H sing N N 191 |
|
|
ILE N H2 sing N N 192 |
|
|
ILE CA C sing N N 193 |
|
|
ILE CA CB sing N N 194 |
|
|
ILE CA HA sing N N 195 |
|
|
ILE C O doub N N 196 |
|
|
ILE C OXT sing N N 197 |
|
|
ILE CB CG1 sing N N 198 |
|
|
ILE CB CG2 sing N N 199 |
|
|
ILE CB HB sing N N 200 |
|
|
ILE CG1 CD1 sing N N 201 |
|
|
ILE CG1 HG12 sing N N 202 |
|
|
ILE CG1 HG13 sing N N 203 |
|
|
ILE CG2 HG21 sing N N 204 |
|
|
ILE CG2 HG22 sing N N 205 |
|
|
ILE CG2 HG23 sing N N 206 |
|
|
ILE CD1 HD11 sing N N 207 |
|
|
ILE CD1 HD12 sing N N 208 |
|
|
ILE CD1 HD13 sing N N 209 |
|
|
ILE OXT HXT sing N N 210 |
|
|
LEU N CA sing N N 211 |
|
|
LEU N H sing N N 212 |
|
|
LEU N H2 sing N N 213 |
|
|
LEU CA C sing N N 214 |
|
|
LEU CA CB sing N N 215 |
|
|
LEU CA HA sing N N 216 |
|
|
LEU C O doub N N 217 |
|
|
LEU C OXT sing N N 218 |
|
|
LEU CB CG sing N N 219 |
|
|
LEU CB HB2 sing N N 220 |
|
|
LEU CB HB3 sing N N 221 |
|
|
LEU CG CD1 sing N N 222 |
|
|
LEU CG CD2 sing N N 223 |
|
|
LEU CG HG sing N N 224 |
|
|
LEU CD1 HD11 sing N N 225 |
|
|
LEU CD1 HD12 sing N N 226 |
|
|
LEU CD1 HD13 sing N N 227 |
|
|
LEU CD2 HD21 sing N N 228 |
|
|
LEU CD2 HD22 sing N N 229 |
|
|
LEU CD2 HD23 sing N N 230 |
|
|
LEU OXT HXT sing N N 231 |
|
|
LYS N CA sing N N 232 |
|
|
LYS N H sing N N 233 |
|
|
LYS N H2 sing N N 234 |
|
|
LYS CA C sing N N 235 |
|
|
LYS CA CB sing N N 236 |
|
|
LYS CA HA sing N N 237 |
|
|
LYS C O doub N N 238 |
|
|
LYS C OXT sing N N 239 |
|
|
LYS CB CG sing N N 240 |
|
|
LYS CB HB2 sing N N 241 |
|
|
LYS CB HB3 sing N N 242 |
|
|
LYS CG CD sing N N 243 |
|
|
LYS CG HG2 sing N N 244 |
|
|
LYS CG HG3 sing N N 245 |
|
|
LYS CD CE sing N N 246 |
|
|
LYS CD HD2 sing N N 247 |
|
|
LYS CD HD3 sing N N 248 |
|
|
LYS CE NZ sing N N 249 |
|
|
LYS CE HE2 sing N N 250 |
|
|
LYS CE HE3 sing N N 251 |
|
|
LYS NZ HZ1 sing N N 252 |
|
|
LYS NZ HZ2 sing N N 253 |
|
|
LYS NZ HZ3 sing N N 254 |
|
|
LYS OXT HXT sing N N 255 |
|
|
MET N CA sing N N 256 |
|
|
MET N H sing N N 257 |
|
|
MET N H2 sing N N 258 |
|
|
MET CA C sing N N 259 |
|
|
MET CA CB sing N N 260 |
|
|
MET CA HA sing N N 261 |
|
|
MET C O doub N N 262 |
|
|
MET C OXT sing N N 263 |
|
|
MET CB CG sing N N 264 |
|
|
MET CB HB2 sing N N 265 |
|
|
MET CB HB3 sing N N 266 |
|
|
MET CG SD sing N N 267 |
|
|
MET CG HG2 sing N N 268 |
|
|
MET CG HG3 sing N N 269 |
|
|
MET SD CE sing N N 270 |
|
|
MET CE HE1 sing N N 271 |
|
|
MET CE HE2 sing N N 272 |
|
|
MET CE HE3 sing N N 273 |
|
|
MET OXT HXT sing N N 274 |
|
|
PHE N CA sing N N 275 |
|
|
PHE N H sing N N 276 |
|
|
PHE N H2 sing N N 277 |
|
|
PHE CA C sing N N 278 |
|
|
PHE CA CB sing N N 279 |
|
|
PHE CA HA sing N N 280 |
|
|
PHE C O doub N N 281 |
|
|
PHE C OXT sing N N 282 |
|
|
PHE CB CG sing N N 283 |
|
|
PHE CB HB2 sing N N 284 |
|
|
PHE CB HB3 sing N N 285 |
|
|
PHE CG CD1 doub Y N 286 |
|
|
PHE CG CD2 sing Y N 287 |
|
|
PHE CD1 CE1 sing Y N 288 |
|
|
PHE CD1 HD1 sing N N 289 |
|
|
PHE CD2 CE2 doub Y N 290 |
|
|
PHE CD2 HD2 sing N N 291 |
|
|
PHE CE1 CZ doub Y N 292 |
|
|
PHE CE1 HE1 sing N N 293 |
|
|
PHE CE2 CZ sing Y N 294 |
|
|
PHE CE2 HE2 sing N N 295 |
|
|
PHE CZ HZ sing N N 296 |
|
|
PHE OXT HXT sing N N 297 |
|
|
PRO N CA sing N N 298 |
|
|
PRO N CD sing N N 299 |
|
|
PRO N H sing N N 300 |
|
|
PRO CA C sing N N 301 |
|
|
PRO CA CB sing N N 302 |
|
|
PRO CA HA sing N N 303 |
|
|
PRO C O doub N N 304 |
|
|
PRO C OXT sing N N 305 |
|
|
PRO CB CG sing N N 306 |
|
|
PRO CB HB2 sing N N 307 |
|
|
PRO CB HB3 sing N N 308 |
|
|
PRO CG CD sing N N 309 |
|
|
PRO CG HG2 sing N N 310 |
|
|
PRO CG HG3 sing N N 311 |
|
|
PRO CD HD2 sing N N 312 |
|
|
PRO CD HD3 sing N N 313 |
|
|
PRO OXT HXT sing N N 314 |
|
|
SER N CA sing N N 315 |
|
|
SER N H sing N N 316 |
|
|
SER N H2 sing N N 317 |
|
|
SER CA C sing N N 318 |
|
|
SER CA CB sing N N 319 |
|
|
SER CA HA sing N N 320 |
|
|
SER C O doub N N 321 |
|
|
SER C OXT sing N N 322 |
|
|
SER CB OG sing N N 323 |
|
|
SER CB HB2 sing N N 324 |
|
|
SER CB HB3 sing N N 325 |
|
|
SER OG HG sing N N 326 |
|
|
SER OXT HXT sing N N 327 |
|
|
THR N CA sing N N 328 |
|
|
THR N H sing N N 329 |
|
|
THR N H2 sing N N 330 |
|
|
THR CA C sing N N 331 |
|
|
THR CA CB sing N N 332 |
|
|
THR CA HA sing N N 333 |
|
|
THR C O doub N N 334 |
|
|
THR C OXT sing N N 335 |
|
|
THR CB OG1 sing N N 336 |
|
|
THR CB CG2 sing N N 337 |
|
|
THR CB HB sing N N 338 |
|
|
THR OG1 HG1 sing N N 339 |
|
|
THR CG2 HG21 sing N N 340 |
|
|
THR CG2 HG22 sing N N 341 |
|
|
THR CG2 HG23 sing N N 342 |
|
|
THR OXT HXT sing N N 343 |
|
|
TYR N CA sing N N 344 |
|
|
TYR N H sing N N 345 |
|
|
TYR N H2 sing N N 346 |
|
|
TYR CA C sing N N 347 |
|
|
TYR CA CB sing N N 348 |
|
|
TYR CA HA sing N N 349 |
|
|
TYR C O doub N N 350 |
|
|
TYR C OXT sing N N 351 |
|
|
TYR CB CG sing N N 352 |
|
|
TYR CB HB2 sing N N 353 |
|
|
TYR CB HB3 sing N N 354 |
|
|
TYR CG CD1 doub Y N 355 |
|
|
TYR CG CD2 sing Y N 356 |
|
|
TYR CD1 CE1 sing Y N 357 |
|
|
TYR CD1 HD1 sing N N 358 |
|
|
TYR CD2 CE2 doub Y N 359 |
|
|
TYR CD2 HD2 sing N N 360 |
|
|
TYR CE1 CZ doub Y N 361 |
|
|
TYR CE1 HE1 sing N N 362 |
|
|
TYR CE2 CZ sing Y N 363 |
|
|
TYR CE2 HE2 sing N N 364 |
|
|
TYR CZ OH sing N N 365 |
|
|
TYR OH HH sing N N 366 |
|
|
TYR OXT HXT sing N N 367 |
|
|
VAL N CA sing N N 368 |
|
|
VAL N H sing N N 369 |
|
|
VAL N H2 sing N N 370 |
|
|
VAL CA C sing N N 371 |
|
|
VAL CA CB sing N N 372 |
|
|
VAL CA HA sing N N 373 |
|
|
VAL C O doub N N 374 |
|
|
VAL C OXT sing N N 375 |
|
|
VAL CB CG1 sing N N 376 |
|
|
VAL CB CG2 sing N N 377 |
|
|
VAL CB HB sing N N 378 |
|
|
VAL CG1 HG11 sing N N 379 |
|
|
VAL CG1 HG12 sing N N 380 |
|
|
VAL CG1 HG13 sing N N 381 |
|
|
VAL CG2 HG21 sing N N 382 |
|
|
VAL CG2 HG22 sing N N 383 |
|
|
VAL CG2 HG23 sing N N 384 |
|
|
VAL OXT HXT sing N N 385 |
|
|
|
|
|
_pdbx_initial_refinement_model.id 1 |
|
|
_pdbx_initial_refinement_model.entity_id_list ? |
|
|
_pdbx_initial_refinement_model.type 'experimental model' |
|
|
_pdbx_initial_refinement_model.source_name PDB |
|
|
_pdbx_initial_refinement_model.accession_code 4INS |
|
|
_pdbx_initial_refinement_model.details 'PDB ENTRY 4INS' |
|
|
|
|
|
_atom_sites.entry_id 1GZZ |
|
|
_atom_sites.fract_transf_matrix[1][1] 0.032549 |
|
|
_atom_sites.fract_transf_matrix[1][2] 0.000000 |
|
|
_atom_sites.fract_transf_matrix[1][3] 0.000000 |
|
|
_atom_sites.fract_transf_matrix[2][1] 0.000000 |
|
|
_atom_sites.fract_transf_matrix[2][2] 0.014434 |
|
|
_atom_sites.fract_transf_matrix[2][3] 0.000000 |
|
|
_atom_sites.fract_transf_matrix[3][1] 0.000000 |
|
|
_atom_sites.fract_transf_matrix[3][2] 0.000000 |
|
|
_atom_sites.fract_transf_matrix[3][3] 0.015497 |
|
|
_atom_sites.fract_transf_vector[1] 0.00000 |
|
|
_atom_sites.fract_transf_vector[2] 0.00000 |
|
|
_atom_sites.fract_transf_vector[3] 0.00000 |
|
|
|
|
|
loop_ |
|
|
_atom_type.symbol |
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C |
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N |
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O |
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S |
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loop_ |
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_atom_site.group_PDB |
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_atom_site.id |
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_atom_site.type_symbol |
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_atom_site.label_atom_id |
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_atom_site.label_alt_id |
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_atom_site.label_comp_id |
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_atom_site.label_asym_id |
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_atom_site.label_entity_id |
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_atom_site.label_seq_id |
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_atom_site.pdbx_PDB_ins_code |
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_atom_site.Cartn_x |
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_atom_site.Cartn_y |
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_atom_site.Cartn_z |
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_atom_site.occupancy |
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_atom_site.B_iso_or_equiv |
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_atom_site.pdbx_formal_charge |
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_atom_site.auth_seq_id |
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_atom_site.auth_comp_id |
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_atom_site.auth_asym_id |
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_atom_site.auth_atom_id |
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_atom_site.pdbx_PDB_model_num |
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ATOM 1 N N . GLY A 1 1 ? 3.721 20.774 12.962 1.00 43.85 ? 1 GLY B N 1 |
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ATOM 2 C CA . GLY A 1 1 ? 2.634 20.605 13.967 1.00 43.27 ? 1 GLY B CA 1 |
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ATOM 3 C C . GLY A 1 1 ? 3.195 20.059 15.258 1.00 44.10 ? 1 GLY B C 1 |
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ATOM 4 O O . GLY A 1 1 ? 2.664 19.101 15.826 1.00 44.38 ? 1 GLY B O 1 |
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ATOM 5 N N . PRO A 1 2 ? 4.283 20.677 15.715 1.00 44.17 ? 2 PRO B N 1 |
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ATOM 6 C CA . PRO A 1 2 ? 5.080 20.180 16.840 1.00 42.89 ? 2 PRO B CA 1 |
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ATOM 7 C C . PRO A 1 2 ? 4.283 19.766 18.087 1.00 43.09 ? 2 PRO B C 1 |
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ATOM 8 O O . PRO A 1 2 ? 3.252 19.091 17.990 1.00 41.79 ? 2 PRO B O 1 |
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ATOM 9 C CB . PRO A 1 2 ? 5.977 21.377 17.169 1.00 42.82 ? 2 PRO B CB 1 |
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ATOM 10 C CG . PRO A 1 2 ? 6.155 22.067 15.880 1.00 42.96 ? 2 PRO B CG 1 |
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ATOM 11 C CD . PRO A 1 2 ? 4.839 21.923 15.151 1.00 44.49 ? 2 PRO B CD 1 |
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ATOM 12 N N . GLU A 1 3 ? 4.782 20.194 19.248 1.00 42.38 ? 3 GLU B N 1 |
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ATOM 13 C CA . GLU A 1 3 ? 4.460 19.617 20.551 1.00 42.01 ? 3 GLU B CA 1 |
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ATOM 14 C C . GLU A 1 3 ? 5.539 18.639 20.928 1.00 40.50 ? 3 GLU B C 1 |
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ATOM 15 O O . GLU A 1 3 ? 5.360 17.807 21.806 1.00 42.17 ? 3 GLU B O 1 |
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ATOM 16 C CB . GLU A 1 3 ? 3.114 18.904 20.571 1.00 43.96 ? 3 GLU B CB 1 |
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ATOM 17 C CG . GLU A 1 3 ? 2.492 18.890 21.957 1.00 46.78 ? 3 GLU B CG 1 |
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ATOM 18 C CD . GLU A 1 3 ? 1.830 20.218 22.294 1.00 48.36 ? 3 GLU B CD 1 |
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ATOM 19 O OE1 . GLU A 1 3 ? 2.335 20.906 23.213 1.00 48.01 ? 3 GLU B OE1 1 |
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ATOM 20 O OE2 . GLU A 1 3 ? 0.819 20.572 21.631 1.00 40.69 ? 3 GLU B OE2 1 |
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ATOM 21 N N . THR A 1 4 ? 6.666 18.742 20.243 1.00 37.74 ? 4 THR B N 1 |
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ATOM 22 C CA . THR A 1 4 ? 7.891 18.191 20.751 1.00 34.45 ? 4 THR B CA 1 |
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ATOM 23 C C . THR A 1 4 ? 8.237 18.886 22.077 1.00 33.76 ? 4 THR B C 1 |
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ATOM 24 O O . THR A 1 4 ? 7.958 20.073 22.268 1.00 32.68 ? 4 THR B O 1 |
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ATOM 25 C CB . THR A 1 4 ? 9.015 18.367 19.725 1.00 33.70 ? 4 THR B CB 1 |
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ATOM 26 O OG1 . THR A 1 4 ? 9.402 19.740 19.693 1.00 35.16 ? 4 THR B OG1 1 |
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ATOM 27 C CG2 . THR A 1 4 ? 8.504 18.108 18.310 1.00 31.76 ? 4 THR B CG2 1 |
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ATOM 28 N N . LEU A 1 5 ? 8.839 18.129 22.983 1.00 29.36 ? 5 LEU B N 1 |
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ATOM 29 C CA . LEU A 1 5 ? 9.413 18.677 24.194 1.00 29.60 ? 5 LEU B CA 1 |
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ATOM 30 C C . LEU A 1 5 ? 10.835 18.234 24.144 1.00 27.69 ? 5 LEU B C 1 |
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ATOM 31 O O . LEU A 1 5 ? 11.112 17.061 23.951 1.00 27.77 ? 5 LEU B O 1 |
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ATOM 32 C CB . LEU A 1 5 ? 8.745 18.072 25.456 1.00 29.59 ? 5 LEU B CB 1 |
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ATOM 33 C CG . LEU A 1 5 ? 7.249 18.319 25.631 1.00 32.90 ? 5 LEU B CG 1 |
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ATOM 34 C CD1 . LEU A 1 5 ? 6.578 17.250 26.445 1.00 37.53 ? 5 LEU B CD1 1 |
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ATOM 35 C CD2 . LEU A 1 5 ? 6.995 19.698 26.237 1.00 35.59 ? 5 LEU B CD2 1 |
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ATOM 36 N N . CYS A 1 6 ? 11.749 19.170 24.342 1.00 29.31 ? 6 CYS B N 1 |
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ATOM 37 C CA . CYS A 1 6 ? 13.168 18.882 24.262 1.00 25.61 ? 6 CYS B CA 1 |
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ATOM 38 C C . CYS A 1 6 ? 13.861 19.529 25.458 1.00 28.73 ? 6 CYS B C 1 |
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ATOM 39 O O . CYS A 1 6 ? 13.381 20.537 25.998 1.00 28.69 ? 6 CYS B O 1 |
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ATOM 40 C CB . CYS A 1 6 ? 13.738 19.460 22.968 1.00 26.10 ? 6 CYS B CB 1 |
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ATOM 41 S SG . CYS A 1 6 ? 13.161 18.668 21.445 1.00 24.21 ? 6 CYS B SG 1 |
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ATOM 42 N N . GLY A 1 7 ? 15.001 18.966 25.860 1.00 27.71 ? 7 GLY B N 1 |
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ATOM 43 C CA . GLY A 1 7 ? 15.846 19.628 26.819 1.00 27.61 ? 7 GLY B CA 1 |
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ATOM 44 C C . GLY A 1 7 ? 15.092 19.875 28.111 1.00 25.62 ? 7 GLY B C 1 |
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ATOM 45 O O . GLY A 1 7 ? 14.525 18.954 28.671 1.00 25.26 ? 7 GLY B O 1 |
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ATOM 46 N N . ALA A 1 8 ? 15.102 21.123 28.565 1.00 24.45 ? 8 ALA B N 1 |
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ATOM 47 C CA . ALA A 1 8 ? 14.625 21.511 29.887 1.00 24.37 ? 8 ALA B CA 1 |
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ATOM 48 C C . ALA A 1 8 ? 13.142 21.275 29.956 1.00 23.12 ? 8 ALA B C 1 |
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ATOM 49 O O . ALA A 1 8 ? 12.630 20.774 30.944 1.00 23.59 ? 8 ALA B O 1 |
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ATOM 50 C CB . ALA A 1 8 ? 14.954 23.025 30.155 1.00 23.18 ? 8 ALA B CB 1 |
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ATOM 51 N N . GLU A 1 9 ? 12.459 21.631 28.870 1.00 25.34 ? 9 GLU B N 1 |
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ATOM 52 C CA . GLU A 1 9 ? 11.020 21.464 28.749 1.00 25.66 ? 9 GLU B CA 1 |
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ATOM 53 C C . GLU A 1 9 ? 10.596 20.000 28.925 1.00 26.92 ? 9 GLU B C 1 |
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ATOM 54 O O . GLU A 1 9 ? 9.677 19.713 29.697 1.00 26.93 ? 9 GLU B O 1 |
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ATOM 55 C CB . GLU A 1 9 ? 10.534 22.037 27.416 1.00 26.67 ? 9 GLU B CB 1 |
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ATOM 56 C CG . GLU A 1 9 ? 10.507 23.560 27.422 1.00 28.15 ? 9 GLU B CG 1 |
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ATOM 57 C CD . GLU A 1 9 ? 9.840 24.178 26.204 1.00 37.21 ? 9 GLU B CD 1 |
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ATOM 58 O OE1 . GLU A 1 9 ? 9.542 23.456 25.222 1.00 39.13 ? 9 GLU B OE1 1 |
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ATOM 59 O OE2 . GLU A 1 9 ? 9.609 25.412 26.227 1.00 42.44 ? 9 GLU B OE2 1 |
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ATOM 60 N N . LEU A 1 10 ? 11.277 19.081 28.234 1.00 26.54 ? 10 LEU B N 1 |
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ATOM 61 C CA . LEU A 1 10 ? 11.066 17.641 28.425 1.00 28.50 ? 10 LEU B CA 1 |
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ATOM 62 C C . LEU A 1 10 ? 11.231 17.226 29.899 1.00 27.87 ? 10 LEU B C 1 |
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ATOM 63 O O . LEU A 1 10 ? 10.399 16.522 30.439 1.00 29.60 ? 10 LEU B O 1 |
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ATOM 64 C CB . LEU A 1 10 ? 12.042 16.830 27.562 1.00 28.13 ? 10 LEU B CB 1 |
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ATOM 65 C CG . LEU A 1 10 ? 11.808 15.319 27.454 1.00 30.44 ? 10 LEU B CG 1 |
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ATOM 66 C CD1 . LEU A 1 10 ? 10.327 14.981 27.238 1.00 25.40 ? 10 LEU B CD1 1 |
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ATOM 67 C CD2 . LEU A 1 10 ? 12.690 14.745 26.314 1.00 29.07 ? 10 LEU B CD2 1 |
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ATOM 68 N N . VAL A 1 11 ? 12.273 17.701 30.560 1.00 26.15 ? 11 VAL B N 1 |
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ATOM 69 C CA . VAL A 1 11 ? 12.481 17.325 31.953 1.00 27.37 ? 11 VAL B CA 1 |
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ATOM 70 C C . VAL A 1 11 ? 11.410 17.924 32.879 1.00 27.56 ? 11 VAL B C 1 |
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ATOM 71 O O . VAL A 1 11 ? 10.896 17.253 33.780 1.00 25.34 ? 11 VAL B O 1 |
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ATOM 72 C CB . VAL A 1 11 ? 13.842 17.820 32.446 1.00 28.09 ? 11 VAL B CB 1 |
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ATOM 73 C CG1 . VAL A 1 11 ? 14.021 17.498 33.967 1.00 30.59 ? 11 VAL B CG1 1 |
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ATOM 74 C CG2 . VAL A 1 11 ? 14.970 17.225 31.596 1.00 28.68 ? 11 VAL B CG2 1 |
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ATOM 75 N N . ASP A 1 12 ? 11.110 19.205 32.669 1.00 27.18 ? 12 ASP B N 1 |
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ATOM 76 C CA . ASP A 1 12 ? 9.992 19.839 33.354 1.00 29.39 ? 12 ASP B CA 1 |
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ATOM 77 C C . ASP A 1 12 ? 8.752 18.974 33.237 1.00 27.45 ? 12 ASP B C 1 |
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ATOM 78 O O . ASP A 1 12 ? 8.038 18.768 34.216 1.00 28.41 ? 12 ASP B O 1 |
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ATOM 79 C CB . ASP A 1 12 ? 9.678 21.187 32.708 1.00 28.09 ? 12 ASP B CB 1 |
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ATOM 80 C CG . ASP A 1 12 ? 9.785 22.319 33.670 1.00 34.62 ? 12 ASP B CG 1 |
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ATOM 81 O OD1 . ASP A 1 12 ? 9.963 22.066 34.891 1.00 35.52 ? 12 ASP B OD1 1 |
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ATOM 82 O OD2 . ASP A 1 12 ? 9.725 23.510 33.291 1.00 40.92 ? 12 ASP B OD2 1 |
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ATOM 83 N N . ALA A 1 13 ? 8.488 18.497 32.028 1.00 26.32 ? 13 ALA B N 1 |
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ATOM 84 C CA . ALA A 1 13 ? 7.263 17.728 31.778 1.00 27.46 ? 13 ALA B CA 1 |
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ATOM 85 C C . ALA A 1 13 ? 7.309 16.419 32.542 1.00 26.50 ? 13 ALA B C 1 |
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ATOM 86 O O . ALA A 1 13 ? 6.299 15.989 33.128 1.00 26.74 ? 13 ALA B O 1 |
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ATOM 87 C CB . ALA A 1 13 ? 7.077 17.472 30.252 1.00 25.16 ? 13 ALA B CB 1 |
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ATOM 88 N N . LEU A 1 14 ? 8.483 15.787 32.533 1.00 25.80 ? 14 LEU B N 1 |
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ATOM 89 C CA . LEU A 1 14 ? 8.680 14.518 33.235 1.00 28.61 ? 14 LEU B CA 1 |
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ATOM 90 C C . LEU A 1 14 ? 8.549 14.680 34.755 1.00 28.85 ? 14 LEU B C 1 |
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ATOM 91 O O . LEU A 1 14 ? 7.906 13.854 35.420 1.00 27.16 ? 14 LEU B O 1 |
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ATOM 92 C CB . LEU A 1 14 ? 10.051 13.913 32.882 1.00 27.79 ? 14 LEU B CB 1 |
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ATOM 93 C CG . LEU A 1 14 ? 10.093 13.110 31.570 1.00 29.29 ? 14 LEU B CG 1 |
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ATOM 94 C CD1 . LEU A 1 14 ? 11.563 12.668 31.235 1.00 26.20 ? 14 LEU B CD1 1 |
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ATOM 95 C CD2 . LEU A 1 14 ? 9.109 11.895 31.657 1.00 24.32 ? 14 LEU B CD2 1 |
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ATOM 96 N N . GLN A 1 15 ? 9.157 15.742 35.293 1.00 27.60 ? 15 GLN B N 1 |
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ATOM 97 C CA . GLN A 1 15 ? 9.043 16.045 36.725 1.00 28.00 ? 15 GLN B CA 1 |
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ATOM 98 C C . GLN A 1 15 ? 7.581 16.246 37.069 1.00 28.08 ? 15 GLN B C 1 |
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ATOM 99 O O . GLN A 1 15 ? 7.102 15.826 38.124 1.00 28.55 ? 15 GLN B O 1 |
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ATOM 100 C CB . GLN A 1 15 ? 9.842 17.309 37.109 1.00 25.54 ? 15 GLN B CB 1 |
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ATOM 101 C CG . GLN A 1 15 ? 11.371 17.142 36.939 1.00 29.78 ? 15 GLN B CG 1 |
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ATOM 102 C CD . GLN A 1 15 ? 12.183 18.190 37.690 1.00 30.28 ? 15 GLN B CD 1 |
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ATOM 103 O OE1 . GLN A 1 15 ? 13.211 17.857 38.285 1.00 34.66 ? 15 GLN B OE1 1 |
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ATOM 104 N NE2 . GLN A 1 15 ? 11.731 19.453 37.663 1.00 28.67 ? 15 GLN B NE2 1 |
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ATOM 105 N N . PHE A 1 16 ? 6.859 16.916 36.188 1.00 27.83 ? 16 PHE B N 1 |
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ATOM 106 C CA . PHE A 1 16 ? 5.486 17.259 36.537 1.00 28.39 ? 16 PHE B CA 1 |
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ATOM 107 C C . PHE A 1 16 ? 4.627 16.002 36.472 1.00 26.01 ? 16 PHE B C 1 |
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ATOM 108 O O . PHE A 1 16 ? 3.925 15.663 37.395 1.00 26.11 ? 16 PHE B O 1 |
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ATOM 109 C CB . PHE A 1 16 ? 4.931 18.324 35.604 1.00 27.10 ? 16 PHE B CB 1 |
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ATOM 110 C CG . PHE A 1 16 ? 3.637 18.884 36.058 1.00 28.77 ? 16 PHE B CG 1 |
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ATOM 111 C CD1 . PHE A 1 16 ? 3.610 19.935 36.956 1.00 27.20 ? 16 PHE B CD1 1 |
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ATOM 112 C CD2 . PHE A 1 16 ? 2.435 18.337 35.610 1.00 26.31 ? 16 PHE B CD2 1 |
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ATOM 113 C CE1 . PHE A 1 16 ? 2.404 20.447 37.402 1.00 27.76 ? 16 PHE B CE1 1 |
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ATOM 114 C CE2 . PHE A 1 16 ? 1.245 18.843 36.042 1.00 25.49 ? 16 PHE B CE2 1 |
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ATOM 115 C CZ . PHE A 1 16 ? 1.217 19.905 36.930 1.00 26.72 ? 16 PHE B CZ 1 |
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ATOM 116 N N . VAL A 1 17 ? 4.700 15.304 35.365 1.00 25.58 ? 17 VAL B N 1 |
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ATOM 117 C CA . VAL A 1 17 ? 3.901 14.101 35.211 1.00 28.04 ? 17 VAL B CA 1 |
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ATOM 118 C C . VAL A 1 17 ? 4.292 12.988 36.220 1.00 27.63 ? 17 VAL B C 1 |
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ATOM 119 O O . VAL A 1 17 ? 3.441 12.316 36.786 1.00 27.37 ? 17 VAL B O 1 |
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ATOM 120 C CB . VAL A 1 17 ? 4.002 13.601 33.743 1.00 29.00 ? 17 VAL B CB 1 |
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ATOM 121 C CG1 . VAL A 1 17 ? 3.468 12.184 33.617 1.00 28.53 ? 17 VAL B CG1 1 |
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ATOM 122 C CG2 . VAL A 1 17 ? 3.248 14.593 32.817 1.00 27.38 ? 17 VAL B CG2 1 |
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ATOM 123 N N . CYS A 1 18 ? 5.585 12.773 36.420 1.00 27.98 ? 18 CYS B N 1 |
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ATOM 124 C CA . CYS A 1 18 ? 6.014 11.649 37.243 1.00 29.35 ? 18 CYS B CA 1 |
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ATOM 125 C C . CYS A 1 18 ? 5.935 11.927 38.747 1.00 29.42 ? 18 CYS B C 1 |
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ATOM 126 O O . CYS A 1 18 ? 5.772 11.002 39.547 1.00 28.67 ? 18 CYS B O 1 |
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ATOM 127 C CB . CYS A 1 18 ? 7.405 11.166 36.813 1.00 29.35 ? 18 CYS B CB 1 |
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ATOM 128 S SG . CYS A 1 18 ? 7.355 10.685 35.074 1.00 28.56 ? 18 CYS B SG 1 |
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ATOM 129 N N . GLY A 1 19 ? 6.026 13.198 39.127 1.00 28.77 ? 19 GLY B N 1 |
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ATOM 130 C CA . GLY A 1 19 ? 5.964 13.560 40.533 1.00 27.91 ? 19 GLY B CA 1 |
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ATOM 131 C C . GLY A 1 19 ? 7.076 12.877 41.299 1.00 28.55 ? 19 GLY B C 1 |
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ATOM 132 O O . GLY A 1 19 ? 8.242 12.933 40.890 1.00 29.34 ? 19 GLY B O 1 |
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ATOM 133 N N . ASP A 1 20 ? 6.727 12.200 42.386 1.00 29.10 ? 20 ASP B N 1 |
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ATOM 134 C CA . ASP A 1 20 ? 7.744 11.648 43.276 1.00 30.93 ? 20 ASP B CA 1 |
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ATOM 135 C C . ASP A 1 20 ? 8.315 10.302 42.812 1.00 31.55 ? 20 ASP B C 1 |
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ATOM 136 O O . ASP A 1 20 ? 9.235 9.778 43.416 1.00 32.16 ? 20 ASP B O 1 |
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ATOM 137 C CB . ASP A 1 20 ? 7.256 11.587 44.735 1.00 31.52 ? 20 ASP B CB 1 |
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ATOM 138 C CG . ASP A 1 20 ? 5.997 10.747 44.909 1.00 32.06 ? 20 ASP B CG 1 |
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ATOM 139 O OD1 . ASP A 1 20 ? 5.614 10.018 43.969 1.00 37.98 ? 20 ASP B OD1 1 |
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ATOM 140 O OD2 . ASP A 1 20 ? 5.326 10.746 45.962 1.00 35.83 ? 20 ASP B OD2 1 |
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ATOM 141 N N . ARG A 1 21 ? 7.791 9.755 41.724 1.00 32.75 ? 21 ARG B N 1 |
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ATOM 142 C CA . ARG A 1 21 ? 8.275 8.459 41.249 1.00 32.22 ? 21 ARG B CA 1 |
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ATOM 143 C C . ARG A 1 21 ? 9.630 8.576 40.574 1.00 31.33 ? 21 ARG B C 1 |
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ATOM 144 O O . ARG A 1 21 ? 10.344 7.586 40.437 1.00 33.12 ? 21 ARG B O 1 |
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ATOM 145 C CB . ARG A 1 21 ? 7.301 7.852 40.249 1.00 32.38 ? 21 ARG B CB 1 |
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ATOM 146 C CG . ARG A 1 21 ? 5.888 7.836 40.714 1.00 30.63 ? 21 ARG B CG 1 |
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ATOM 147 C CD . ARG A 1 21 ? 5.032 6.942 39.891 1.00 33.28 ? 21 ARG B CD 1 |
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ATOM 148 N NE . ARG A 1 21 ? 4.375 7.663 38.819 1.00 36.20 ? 21 ARG B NE 1 |
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ATOM 149 C CZ . ARG A 1 21 ? 3.917 7.082 37.722 1.00 38.10 ? 21 ARG B CZ 1 |
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ATOM 150 N NH1 . ARG A 1 21 ? 4.060 5.772 37.565 1.00 32.39 ? 21 ARG B NH1 1 |
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ATOM 151 N NH2 . ARG A 1 21 ? 3.324 7.812 36.778 1.00 35.93 ? 21 ARG B NH2 1 |
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ATOM 152 N N . GLY A 1 22 ? 9.973 9.775 40.125 1.00 29.50 ? 22 GLY B N 1 |
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ATOM 153 C CA . GLY A 1 22 ? 11.049 9.918 39.164 1.00 28.61 ? 22 GLY B CA 1 |
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ATOM 154 C C . GLY A 1 22 ? 10.762 9.334 37.781 1.00 28.13 ? 22 GLY B C 1 |
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ATOM 155 O O . GLY A 1 22 ? 9.707 8.773 37.530 1.00 28.73 ? 22 GLY B O 1 |
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ATOM 156 N N . PHE A 1 23 ? 11.734 9.463 36.886 1.00 27.78 ? 23 PHE B N 1 |
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ATOM 157 C CA . PHE A 1 23 ? 11.561 9.186 35.476 1.00 28.01 ? 23 PHE B CA 1 |
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ATOM 158 C C . PHE A 1 23 ? 12.904 8.741 34.910 1.00 28.87 ? 23 PHE B C 1 |
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ATOM 159 O O . PHE A 1 23 ? 13.965 8.922 35.516 1.00 26.24 ? 23 PHE B O 1 |
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ATOM 160 C CB . PHE A 1 23 ? 11.163 10.466 34.756 1.00 30.64 ? 23 PHE B CB 1 |
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ATOM 161 C CG . PHE A 1 23 ? 12.045 11.612 35.080 1.00 30.67 ? 23 PHE B CG 1 |
|
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ATOM 162 C CD1 . PHE A 1 23 ? 11.739 12.464 36.138 1.00 32.66 ? 23 PHE B CD1 1 |
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|
ATOM 163 C CD2 . PHE A 1 23 ? 13.194 11.835 34.349 1.00 31.08 ? 23 PHE B CD2 1 |
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ATOM 164 C CE1 . PHE A 1 23 ? 12.585 13.550 36.451 1.00 35.48 ? 23 PHE B CE1 1 |
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|
ATOM 165 C CE2 . PHE A 1 23 ? 14.036 12.898 34.648 1.00 37.90 ? 23 PHE B CE2 1 |
|
|
ATOM 166 C CZ . PHE A 1 23 ? 13.732 13.760 35.704 1.00 39.16 ? 23 PHE B CZ 1 |
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ATOM 167 N N . TYR A 1 24 ? 12.862 8.149 33.733 1.00 28.87 ? 24 TYR B N 1 |
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|
ATOM 168 C CA . TYR A 1 24 ? 14.088 7.675 33.130 1.00 28.66 ? 24 TYR B CA 1 |
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ATOM 169 C C . TYR A 1 24 ? 14.035 7.987 31.645 1.00 27.82 ? 24 TYR B C 1 |
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ATOM 170 O O . TYR A 1 24 ? 13.000 8.381 31.129 1.00 28.12 ? 24 TYR B O 1 |
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ATOM 171 C CB . TYR A 1 24 ? 14.315 6.174 33.428 1.00 29.61 ? 24 TYR B CB 1 |
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ATOM 172 C CG . TYR A 1 24 ? 13.191 5.248 33.008 1.00 30.39 ? 24 TYR B CG 1 |
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ATOM 173 C CD1 . TYR A 1 24 ? 13.191 4.662 31.755 1.00 36.51 ? 24 TYR B CD1 1 |
|
|
ATOM 174 C CD2 . TYR A 1 24 ? 12.144 4.950 33.863 1.00 35.36 ? 24 TYR B CD2 1 |
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|
ATOM 175 C CE1 . TYR A 1 24 ? 12.181 3.821 31.354 1.00 33.01 ? 24 TYR B CE1 1 |
|
|
ATOM 176 C CE2 . TYR A 1 24 ? 11.119 4.098 33.471 1.00 33.97 ? 24 TYR B CE2 1 |
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|
ATOM 177 C CZ . TYR A 1 24 ? 11.145 3.545 32.207 1.00 36.01 ? 24 TYR B CZ 1 |
|
|
ATOM 178 O OH . TYR A 1 24 ? 10.151 2.685 31.785 1.00 41.21 ? 24 TYR B OH 1 |
|
|
ATOM 179 N N . PHE A 1 25 ? 15.147 7.831 30.953 1.00 28.60 ? 25 PHE B N 1 |
|
|
ATOM 180 C CA . PHE A 1 25 ? 15.205 8.332 29.589 1.00 29.18 ? 25 PHE B CA 1 |
|
|
ATOM 181 C C . PHE A 1 25 ? 15.185 7.198 28.559 1.00 30.28 ? 25 PHE B C 1 |
|
|
ATOM 182 O O . PHE A 1 25 ? 14.625 7.355 27.474 1.00 29.82 ? 25 PHE B O 1 |
|
|
ATOM 183 C CB . PHE A 1 25 ? 16.408 9.277 29.423 1.00 28.84 ? 25 PHE B CB 1 |
|
|
ATOM 184 C CG . PHE A 1 25 ? 16.269 10.557 30.208 1.00 26.10 ? 25 PHE B CG 1 |
|
|
ATOM 185 C CD1 . PHE A 1 25 ? 16.733 10.647 31.521 1.00 29.84 ? 25 PHE B CD1 1 |
|
|
ATOM 186 C CD2 . PHE A 1 25 ? 15.645 11.658 29.648 1.00 29.56 ? 25 PHE B CD2 1 |
|
|
ATOM 187 C CE1 . PHE A 1 25 ? 16.586 11.825 32.255 1.00 32.21 ? 25 PHE B CE1 1 |
|
|
ATOM 188 C CE2 . PHE A 1 25 ? 15.500 12.849 30.376 1.00 31.46 ? 25 PHE B CE2 1 |
|
|
ATOM 189 C CZ . PHE A 1 25 ? 15.958 12.934 31.671 1.00 26.85 ? 25 PHE B CZ 1 |
|
|
ATOM 190 N N . ASN A 1 26 ? 15.758 6.053 28.920 1.00 29.99 ? 26 ASN B N 1 |
|
|
ATOM 191 C CA . ASN A 1 26 ? 15.896 4.942 27.987 1.00 32.89 ? 26 ASN B CA 1 |
|
|
ATOM 192 C C . ASN A 1 26 ? 14.980 3.768 28.332 1.00 33.43 ? 26 ASN B C 1 |
|
|
ATOM 193 O O . ASN A 1 26 ? 15.130 3.139 29.386 1.00 33.25 ? 26 ASN B O 1 |
|
|
ATOM 194 C CB . ASN A 1 26 ? 17.353 4.448 27.922 1.00 32.58 ? 26 ASN B CB 1 |
|
|
ATOM 195 C CG . ASN A 1 26 ? 18.293 5.450 27.257 1.00 33.39 ? 26 ASN B CG 1 |
|
|
ATOM 196 O OD1 . ASN A 1 26 ? 17.863 6.330 26.516 1.00 32.56 ? 26 ASN B OD1 1 |
|
|
ATOM 197 N ND2 . ASN A 1 26 ? 19.591 5.310 27.521 1.00 37.59 ? 26 ASN B ND2 1 |
|
|
ATOM 198 N N . LYS A 1 27 ? 14.052 3.475 27.421 1.00 33.96 ? 27 LYS B N 1 |
|
|
ATOM 199 C CA . LYS A 1 27 ? 13.328 2.196 27.395 1.00 32.76 ? 27 LYS B CA 1 |
|
|
ATOM 200 C C . LYS A 1 27 ? 14.225 0.988 27.601 1.00 32.67 ? 27 LYS B C 1 |
|
|
ATOM 201 O O . LYS A 1 27 ? 15.225 0.818 26.912 1.00 32.64 ? 27 LYS B O 1 |
|
|
ATOM 202 C CB . LYS A 1 27 ? 12.542 2.030 26.091 1.00 32.04 ? 27 LYS B CB 1 |
|
|
ATOM 203 C CG . LYS A 1 27 ? 12.939 3.004 24.993 1.00 33.08 ? 27 LYS B CG 1 |
|
|
ATOM 204 C CD . LYS A 1 27 ? 12.853 2.357 23.617 1.00 34.37 ? 27 LYS B CD 1 |
|
|
ATOM 205 C CE . LYS A 1 27 ? 12.843 2.772 23.239 0.0000 40.00 ? 27 LYS B CE 1 |
|
|
ATOM 206 N NZ . LYS A 1 27 ? 11.881 2.406 22.201 0.0000 40.00 ? 27 LYS B NZ 1 |
|
|
ATOM 207 N N . PRO A 1 28 ? 13.839 0.136 28.541 1.00 33.27 ? 28 PRO B N 1 |
|
|
ATOM 208 C CA . PRO A 1 28 ? 14.555 -1.116 28.793 1.00 33.51 ? 28 PRO B CA 1 |
|
|
ATOM 209 C C . PRO A 1 28 ? 14.622 -1.974 27.533 1.00 32.94 ? 28 PRO B C 1 |
|
|
ATOM 210 O O . PRO A 1 28 ? 13.797 -1.821 26.633 1.00 34.10 ? 28 PRO B O 1 |
|
|
ATOM 211 C CB . PRO A 1 28 ? 13.690 -1.819 29.845 1.00 33.64 ? 28 PRO B CB 1 |
|
|
ATOM 212 C CG . PRO A 1 28 ? 12.855 -0.771 30.441 1.00 33.62 ? 28 PRO B CG 1 |
|
|
ATOM 213 C CD . PRO A 1 28 ? 12.667 0.308 29.416 1.00 33.06 ? 28 PRO B CD 1 |
|
|
ATOM 214 N N . THR A 1 29 ? 15.590 -2.873 27.474 1.00 30.89 ? 29 THR B N 1 |
|
|
ATOM 215 C CA . THR A 1 29 ? 15.652 -3.821 26.373 1.00 31.13 ? 29 THR B CA 1 |
|
|
ATOM 216 C C . THR A 1 29 ? 16.071 -5.220 26.836 1.00 29.34 ? 29 THR B C 1 |
|
|
ATOM 217 O O . THR A 1 29 ? 16.520 -5.398 27.968 1.00 28.07 ? 29 THR B O 1 |
|
|
ATOM 218 C CB . THR A 1 29 ? 16.590 -3.290 25.256 1.00 31.05 ? 29 THR B CB 1 |
|
|
ATOM 219 O OG1 . THR A 1 29 ? 16.947 -4.363 24.379 1.00 30.42 ? 29 THR B OG1 1 |
|
|
ATOM 220 C CG2 . THR A 1 29 ? 17.929 -2.849 25.829 1.00 31.02 ? 29 THR B CG2 1 |
|
|
ATOM 221 N N . GLY A 1 30 ? 15.904 -6.204 25.957 1.00 30.35 ? 30 GLY B N 1 |
|
|
ATOM 222 C CA . GLY A 1 30 ? 16.585 -7.491 26.075 1.00 29.63 ? 30 GLY B CA 1 |
|
|
ATOM 223 C C . GLY A 1 30 ? 16.101 -8.330 27.246 1.00 29.97 ? 30 GLY B C 1 |
|
|
ATOM 224 O O . GLY A 1 30 ? 15.648 -7.797 28.253 1.00 30.42 ? 30 GLY B O 1 |
|
|
ATOM 225 N N . TYR A 1 31 ? 16.206 -9.648 27.130 1.00 30.91 ? 31 TYR B N 1 |
|
|
ATOM 226 C CA . TYR A 1 31 ? 17.008 -10.275 26.096 1.00 31.57 ? 31 TYR B CA 1 |
|
|
ATOM 227 C C . TYR A 1 31 ? 16.151 -10.631 24.887 1.00 31.93 ? 31 TYR B C 1 |
|
|
ATOM 228 O O . TYR A 1 31 ? 15.101 -11.287 25.031 1.00 32.67 ? 31 TYR B O 1 |
|
|
ATOM 229 C CB . TYR A 1 31 ? 17.668 -11.533 26.647 1.00 32.23 ? 31 TYR B CB 1 |
|
|
ATOM 230 C CG . TYR A 1 31 ? 18.556 -11.305 27.850 1.00 32.70 ? 31 TYR B CG 1 |
|
|
ATOM 231 C CD1 . TYR A 1 31 ? 18.308 -10.269 28.745 1.00 32.37 ? 31 TYR B CD1 1 |
|
|
ATOM 232 C CD2 . TYR A 1 31 ? 19.639 -12.145 28.095 1.00 35.34 ? 31 TYR B CD2 1 |
|
|
ATOM 233 C CE1 . TYR A 1 31 ? 19.121 -10.069 29.844 1.00 34.19 ? 31 TYR B CE1 1 |
|
|
ATOM 234 C CE2 . TYR A 1 31 ? 20.456 -11.954 29.188 1.00 36.20 ? 31 TYR B CE2 1 |
|
|
ATOM 235 C CZ . TYR A 1 31 ? 20.195 -10.917 30.059 1.00 35.66 ? 31 TYR B CZ 1 |
|
|
ATOM 236 O OH . TYR A 1 31 ? 21.017 -10.739 31.146 1.00 38.79 ? 31 TYR B OH 1 |
|
|
ATOM 237 N N . ALA A 1 38 ? 19.458 -1.940 17.902 1.00 38.83 ? 38 ALA B N 1 |
|
|
ATOM 238 C CA . ALA A 1 38 ? 18.933 -0.733 17.280 1.00 38.37 ? 38 ALA B CA 1 |
|
|
ATOM 239 C C . ALA A 1 38 ? 19.261 0.488 18.131 1.00 38.56 ? 38 ALA B C 1 |
|
|
ATOM 240 O O . ALA A 1 38 ? 18.356 1.182 18.582 1.00 39.07 ? 38 ALA B O 1 |
|
|
ATOM 241 C CB . ALA A 1 38 ? 17.426 -0.856 17.085 1.00 37.89 ? 38 ALA B CB 1 |
|
|
ATOM 242 N N . PRO A 1 39 ? 20.551 0.766 18.314 1.00 38.78 ? 39 PRO B N 1 |
|
|
ATOM 243 C CA . PRO A 1 39 ? 21.070 1.447 19.505 1.00 38.79 ? 39 PRO B CA 1 |
|
|
ATOM 244 C C . PRO A 1 39 ? 20.059 2.233 20.346 1.00 40.78 ? 39 PRO B C 1 |
|
|
ATOM 245 O O . PRO A 1 39 ? 18.998 2.651 19.867 1.00 41.10 ? 39 PRO B O 1 |
|
|
ATOM 246 C CB . PRO A 1 39 ? 22.119 2.380 18.914 1.00 38.83 ? 39 PRO B CB 1 |
|
|
ATOM 247 C CG . PRO A 1 39 ? 22.674 1.566 17.685 1.00 38.88 ? 39 PRO B CG 1 |
|
|
ATOM 248 C CD . PRO A 1 39 ? 21.633 0.491 17.347 1.00 38.67 ? 39 PRO B CD 1 |
|
|
ATOM 249 N N . GLN A 1 40 ? 20.402 2.435 21.615 1.00 40.97 ? 40 GLN B N 1 |
|
|
ATOM 250 C CA . GLN A 1 40 ? 19.424 2.868 22.590 1.00 40.71 ? 40 GLN B CA 1 |
|
|
ATOM 251 C C . GLN A 1 40 ? 18.612 4.017 22.026 1.00 40.65 ? 40 GLN B C 1 |
|
|
ATOM 252 O O . GLN A 1 40 ? 19.163 4.988 21.508 1.00 41.68 ? 40 GLN B O 1 |
|
|
ATOM 253 C CB . GLN A 1 40 ? 20.094 3.253 23.912 1.00 40.91 ? 40 GLN B CB 1 |
|
|
ATOM 254 C CG . GLN A 1 40 ? 20.887 2.104 24.548 1.00 44.56 ? 40 GLN B CG 1 |
|
|
ATOM 255 C CD . GLN A 1 40 ? 19.997 0.948 24.988 1.00 46.63 ? 40 GLN B CD 1 |
|
|
ATOM 256 O OE1 . GLN A 1 40 ? 19.237 1.072 25.961 1.00 49.93 ? 40 GLN B OE1 1 |
|
|
ATOM 257 N NE2 . GLN A 1 40 ? 20.075 -0.167 24.270 1.00 38.74 ? 40 GLN B NE2 1 |
|
|
ATOM 258 N N . THR A 1 41 ? 17.295 3.870 22.102 1.00 39.62 ? 41 THR B N 1 |
|
|
ATOM 259 C CA . THR A 1 41 ? 16.364 4.942 21.803 1.00 38.60 ? 41 THR B CA 1 |
|
|
ATOM 260 C C . THR A 1 41 ? 15.404 5.047 22.980 1.00 37.08 ? 41 THR B C 1 |
|
|
ATOM 261 O O . THR A 1 41 ? 15.327 4.141 23.807 1.00 38.43 ? 41 THR B O 1 |
|
|
ATOM 262 C CB . THR A 1 41 ? 15.580 4.617 20.521 1.00 38.76 ? 41 THR B CB 1 |
|
|
ATOM 263 O OG1 . THR A 1 41 ? 14.499 5.545 20.382 1.00 40.45 ? 41 THR B OG1 1 |
|
|
ATOM 264 C CG2 . THR A 1 41 ? 14.869 3.283 20.660 1.00 39.31 ? 41 THR B CG2 1 |
|
|
ATOM 265 N N . GLY A 1 42 ? 14.677 6.151 23.060 1.00 33.68 ? 42 GLY B N 1 |
|
|
ATOM 266 C CA . GLY A 1 42 ? 13.792 6.368 24.184 1.00 30.39 ? 42 GLY B CA 1 |
|
|
ATOM 267 C C . GLY A 1 42 ? 13.038 7.669 24.058 1.00 29.12 ? 42 GLY B C 1 |
|
|
ATOM 268 O O . GLY A 1 42 ? 12.536 7.997 22.988 1.00 28.53 ? 42 GLY B O 1 |
|
|
ATOM 269 N N . ILE A 1 43 ? 12.958 8.419 25.149 1.00 28.98 ? 43 ILE B N 1 |
|
|
ATOM 270 C CA . ILE A 1 43 ? 12.021 9.527 25.212 1.00 29.22 ? 43 ILE B CA 1 |
|
|
ATOM 271 C C . ILE A 1 43 ? 12.400 10.690 24.310 1.00 30.16 ? 43 ILE B C 1 |
|
|
ATOM 272 O O . ILE A 1 43 ? 11.518 11.367 23.779 1.00 31.14 ? 43 ILE B O 1 |
|
|
ATOM 273 C CB . ILE A 1 43 ? 11.780 10.005 26.669 1.00 27.98 ? 43 ILE B CB 1 |
|
|
ATOM 274 C CG1 . ILE A 1 43 ? 10.568 10.939 26.729 1.00 29.18 ? 43 ILE B CG1 1 |
|
|
ATOM 275 C CG2 . ILE A 1 43 ? 13.008 10.681 27.235 1.00 26.80 ? 43 ILE B CG2 1 |
|
|
ATOM 276 C CD1 . ILE A 1 43 ? 10.163 11.346 28.162 1.00 32.57 ? 43 ILE B CD1 1 |
|
|
ATOM 277 N N . VAL A 1 44 ? 13.692 10.958 24.150 1.00 28.40 ? 44 VAL B N 1 |
|
|
ATOM 278 C CA . VAL A 1 44 ? 14.083 12.002 23.219 1.00 29.57 ? 44 VAL B CA 1 |
|
|
ATOM 279 C C . VAL A 1 44 ? 13.562 11.663 21.817 1.00 29.26 ? 44 VAL B C 1 |
|
|
ATOM 280 O O . VAL A 1 44 ? 12.989 12.514 21.139 1.00 30.01 ? 44 VAL B O 1 |
|
|
ATOM 281 C CB . VAL A 1 44 ? 15.622 12.232 23.185 1.00 28.98 ? 44 VAL B CB 1 |
|
|
ATOM 282 C CG1 . VAL A 1 44 ? 15.968 13.213 22.127 1.00 27.58 ? 44 VAL B CG1 1 |
|
|
ATOM 283 C CG2 . VAL A 1 44 ? 16.090 12.762 24.520 1.00 32.70 ? 44 VAL B CG2 1 |
|
|
ATOM 284 N N . ASP A 1 45 ? 13.751 10.414 21.402 1.00 27.27 ? 45 ASP B N 1 |
|
|
ATOM 285 C CA . ASP A 1 45 ? 13.304 9.964 20.095 1.00 27.54 ? 45 ASP B CA 1 |
|
|
ATOM 286 C C . ASP A 1 45 ? 11.780 10.052 19.903 1.00 27.25 ? 45 ASP B C 1 |
|
|
ATOM 287 O O . ASP A 1 45 ? 11.310 10.393 18.816 1.00 25.50 ? 45 ASP B O 1 |
|
|
ATOM 288 C CB . ASP A 1 45 ? 13.799 8.542 19.826 1.00 27.04 ? 45 ASP B CB 1 |
|
|
ATOM 289 C CG . ASP A 1 45 ? 15.290 8.403 20.041 1.00 29.42 ? 45 ASP B CG 1 |
|
|
ATOM 290 O OD1 . ASP A 1 45 ? 15.713 8.212 21.206 1.00 36.20 ? 45 ASP B OD1 1 |
|
|
ATOM 291 O OD2 . ASP A 1 45 ? 16.115 8.480 19.108 1.00 27.55 ? 45 ASP B OD2 1 |
|
|
ATOM 292 N N . GLU A 1 46 ? 11.019 9.745 20.950 1.00 25.59 ? 46 GLU B N 1 |
|
|
ATOM 293 C CA . GLU A 1 46 ? 9.568 9.650 20.826 1.00 25.77 ? 46 GLU B CA 1 |
|
|
ATOM 294 C C . GLU A 1 46 ? 8.884 10.992 21.099 1.00 26.55 ? 46 GLU B C 1 |
|
|
ATOM 295 O O . GLU A 1 46 ? 7.810 11.254 20.562 1.00 25.86 ? 46 GLU B O 1 |
|
|
ATOM 296 C CB . GLU A 1 46 ? 8.997 8.525 21.706 1.00 25.14 ? 46 GLU B CB 1 |
|
|
ATOM 297 C CG . GLU A 1 46 ? 9.598 7.152 21.406 1.00 27.72 ? 46 GLU B CG 1 |
|
|
ATOM 298 C CD . GLU A 1 46 ? 9.165 6.053 22.375 1.00 32.55 ? 46 GLU B CD 1 |
|
|
ATOM 299 O OE1 . GLU A 1 46 ? 8.764 6.360 23.501 1.00 29.32 ? 46 GLU B OE1 1 |
|
|
ATOM 300 O OE2 . GLU A 1 46 ? 9.236 4.856 22.012 1.00 41.68 ? 46 GLU B OE2 1 |
|
|
ATOM 301 N N . CYS A 1 47 ? 9.535 11.847 21.891 1.00 26.11 ? 47 CYS B N 1 |
|
|
ATOM 302 C CA . CYS A 1 47 ? 8.937 13.095 22.359 1.00 28.65 ? 47 CYS B CA 1 |
|
|
ATOM 303 C C . CYS A 1 47 ? 9.636 14.374 21.870 1.00 29.82 ? 47 CYS B C 1 |
|
|
ATOM 304 O O . CYS A 1 47 ? 9.010 15.434 21.791 1.00 29.60 ? 47 CYS B O 1 |
|
|
ATOM 305 C CB . CYS A 1 47 ? 8.869 13.105 23.891 1.00 29.31 ? 47 CYS B CB 1 |
|
|
ATOM 306 S SG . CYS A 1 47 ? 7.705 11.874 24.536 1.00 33.30 ? 47 CYS B SG 1 |
|
|
ATOM 307 N N . CYS A 1 48 ? 10.927 14.286 21.545 1.00 28.52 ? 48 CYS B N 1 |
|
|
ATOM 308 C CA . CYS A 1 48 ? 11.667 15.475 21.130 1.00 28.02 ? 48 CYS B CA 1 |
|
|
ATOM 309 C C . CYS A 1 48 ? 11.865 15.518 19.625 1.00 28.03 ? 48 CYS B C 1 |
|
|
ATOM 310 O O . CYS A 1 48 ? 11.550 16.519 18.982 1.00 30.04 ? 48 CYS B O 1 |
|
|
ATOM 311 C CB . CYS A 1 48 ? 13.006 15.568 21.860 1.00 29.00 ? 48 CYS B CB 1 |
|
|
ATOM 312 S SG . CYS A 1 48 ? 14.075 16.884 21.242 1.00 23.31 ? 48 CYS B SG 1 |
|
|
ATOM 313 N N . PHE A 1 49 ? 12.355 14.427 19.046 1.00 27.24 ? 49 PHE B N 1 |
|
|
ATOM 314 C CA . PHE A 1 49 ? 12.513 14.377 17.597 1.00 27.45 ? 49 PHE B CA 1 |
|
|
ATOM 315 C C . PHE A 1 49 ? 11.176 14.261 16.866 1.00 28.12 ? 49 PHE B C 1 |
|
|
ATOM 316 O O . PHE A 1 49 ? 11.060 14.675 15.715 1.00 26.97 ? 49 PHE B O 1 |
|
|
ATOM 317 C CB . PHE A 1 49 ? 13.466 13.254 17.193 1.00 27.58 ? 49 PHE B CB 1 |
|
|
ATOM 318 C CG . PHE A 1 49 ? 14.821 13.351 17.841 1.00 27.80 ? 49 PHE B CG 1 |
|
|
ATOM 319 C CD1 . PHE A 1 49 ? 15.319 14.579 18.267 1.00 25.50 ? 49 PHE B CD1 1 |
|
|
ATOM 320 C CD2 . PHE A 1 49 ? 15.594 12.219 18.026 1.00 26.01 ? 49 PHE B CD2 1 |
|
|
ATOM 321 C CE1 . PHE A 1 49 ? 16.559 14.668 18.858 1.00 24.39 ? 49 PHE B CE1 1 |
|
|
ATOM 322 C CE2 . PHE A 1 49 ? 16.836 12.305 18.613 1.00 25.44 ? 49 PHE B CE2 1 |
|
|
ATOM 323 C CZ . PHE A 1 49 ? 17.319 13.532 19.030 1.00 25.26 ? 49 PHE B CZ 1 |
|
|
ATOM 324 N N . ARG A 1 50 ? 10.175 13.695 17.540 1.00 28.30 ? 50 ARG B N 1 |
|
|
ATOM 325 C CA . ARG A 1 50 ? 8.803 13.724 17.052 1.00 30.17 ? 50 ARG B CA 1 |
|
|
ATOM 326 C C . ARG A 1 50 ? 7.876 13.946 18.227 1.00 30.56 ? 50 ARG B C 1 |
|
|
ATOM 327 O O . ARG A 1 50 ? 8.294 13.847 19.373 1.00 31.25 ? 50 ARG B O 1 |
|
|
ATOM 328 C CB . ARG A 1 50 ? 8.418 12.433 16.313 1.00 30.04 ? 50 ARG B CB 1 |
|
|
ATOM 329 C CG . ARG A 1 50 ? 9.484 11.362 16.262 1.00 32.25 ? 50 ARG B CG 1 |
|
|
ATOM 330 C CD . ARG A 1 50 ? 9.715 10.737 14.880 1.00 39.97 ? 50 ARG B CD 1 |
|
|
ATOM 331 N NE . ARG A 1 50 ? 11.026 10.091 14.827 1.00 45.55 ? 50 ARG B NE 1 |
|
|
ATOM 332 C CZ . ARG A 1 50 ? 11.517 9.336 15.811 1.00 46.58 ? 50 ARG B CZ 1 |
|
|
ATOM 333 N NH1 . ARG A 1 50 ? 10.795 9.109 16.904 1.00 44.98 ? 50 ARG B NH1 1 |
|
|
ATOM 334 N NH2 . ARG A 1 50 ? 12.722 8.795 15.704 1.00 47.80 ? 50 ARG B NH2 1 |
|
|
ATOM 335 N N . SER A 1 51 ? 6.619 14.267 17.954 1.00 30.51 ? 51 SER B N 1 |
|
|
ATOM 336 C CA . SER A 1 51 ? 5.702 14.562 19.044 1.00 30.72 ? 51 SER B CA 1 |
|
|
ATOM 337 C C . SER A 1 51 ? 5.257 13.265 19.672 1.00 30.12 ? 51 SER B C 1 |
|
|
ATOM 338 O O . SER A 1 51 ? 5.157 12.241 19.002 1.00 28.86 ? 51 SER B O 1 |
|
|
ATOM 339 C CB . SER A 1 51 ? 4.498 15.353 18.552 1.00 29.05 ? 51 SER B CB 1 |
|
|
ATOM 340 O OG . SER A 1 51 ? 4.590 15.534 17.160 1.00 31.53 ? 51 SER B OG 1 |
|
|
ATOM 341 N N . CYS A 1 52 ? 5.015 13.317 20.971 1.00 31.47 ? 52 CYS B N 1 |
|
|
ATOM 342 C CA . CYS A 1 52 ? 4.356 12.226 21.663 1.00 33.08 ? 52 CYS B CA 1 |
|
|
ATOM 343 C C . CYS A 1 52 ? 3.231 12.825 22.465 1.00 32.94 ? 52 CYS B C 1 |
|
|
ATOM 344 O O . CYS A 1 52 ? 3.237 14.019 22.746 1.00 33.01 ? 52 CYS B O 1 |
|
|
ATOM 345 C CB . CYS A 1 52 ? 5.327 11.520 22.603 1.00 33.08 ? 52 CYS B CB 1 |
|
|
ATOM 346 S SG . CYS A 1 52 ? 5.879 12.527 23.996 1.00 36.94 ? 52 CYS B SG 1 |
|
|
ATOM 347 N N . ASP A 1 53 ? 2.261 11.992 22.825 1.00 33.25 ? 53 ASP B N 1 |
|
|
ATOM 348 C CA . ASP A 1 53 ? 1.188 12.432 23.697 1.00 32.93 ? 53 ASP B CA 1 |
|
|
ATOM 349 C C . ASP A 1 53 ? 1.509 12.121 25.156 1.00 32.06 ? 53 ASP B C 1 |
|
|
ATOM 350 O O . ASP A 1 53 ? 2.567 11.562 25.474 1.00 33.65 ? 53 ASP B O 1 |
|
|
ATOM 351 C CB . ASP A 1 53 ? -0.126 11.789 23.280 1.00 31.47 ? 53 ASP B CB 1 |
|
|
ATOM 352 C CG . ASP A 1 53 ? -0.057 10.292 23.307 1.00 33.06 ? 53 ASP B CG 1 |
|
|
ATOM 353 O OD1 . ASP A 1 53 ? 0.914 9.783 23.885 1.00 32.77 ? 53 ASP B OD1 1 |
|
|
ATOM 354 O OD2 . ASP A 1 53 ? -0.906 9.539 22.764 1.00 39.84 ? 53 ASP B OD2 1 |
|
|
ATOM 355 N N . LEU A 1 54 ? 0.588 12.488 26.036 1.00 30.44 ? 54 LEU B N 1 |
|
|
ATOM 356 C CA . LEU A 1 54 ? 0.792 12.366 27.469 1.00 30.32 ? 54 LEU B CA 1 |
|
|
ATOM 357 C C . LEU A 1 54 ? 1.065 10.903 27.837 1.00 29.60 ? 54 LEU B C 1 |
|
|
ATOM 358 O O . LEU A 1 54 ? 1.857 10.609 28.706 1.00 30.17 ? 54 LEU B O 1 |
|
|
ATOM 359 C CB . LEU A 1 54 ? -0.453 12.891 28.216 1.00 27.61 ? 54 LEU B CB 1 |
|
|
ATOM 360 C CG . LEU A 1 54 ? -0.569 12.682 29.723 1.00 24.88 ? 54 LEU B CG 1 |
|
|
ATOM 361 C CD1 . LEU A 1 54 ? 0.641 13.293 30.435 1.00 27.13 ? 54 LEU B CD1 1 |
|
|
ATOM 362 C CD2 . LEU A 1 54 ? -1.852 13.275 30.247 1.00 25.26 ? 54 LEU B CD2 1 |
|
|
ATOM 363 N N . ARG A 1 55 ? 0.387 9.987 27.182 1.00 31.49 ? 55 ARG B N 1 |
|
|
ATOM 364 C CA . ARG A 1 55 ? 0.534 8.578 27.523 1.00 32.72 ? 55 ARG B CA 1 |
|
|
ATOM 365 C C . ARG A 1 55 ? 1.891 7.965 27.172 1.00 31.98 ? 55 ARG B C 1 |
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ATOM 366 O O . ARG A 1 55 ? 2.400 7.126 27.913 1.00 32.53 ? 55 ARG B O 1 |
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ATOM 367 C CB . ARG A 1 55 ? -0.616 7.760 26.950 1.00 33.14 ? 55 ARG B CB 1 |
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ATOM 368 C CG . ARG A 1 55 ? -1.739 7.587 27.969 1.00 37.45 ? 55 ARG B CG 1 |
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ATOM 369 C CD . ARG A 1 55 ? -1.672 8.609 29.129 1.00 34.07 ? 55 ARG B CD 1 |
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ATOM 370 N NE . ARG A 1 55 ? -3.016 9.039 29.487 1.00 41.01 ? 55 ARG B NE 1 |
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ATOM 371 C CZ . ARG A 1 55 ? -3.745 9.907 28.792 1.00 42.23 ? 55 ARG B CZ 1 |
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ATOM 372 N NH1 . ARG A 1 55 ? -3.255 10.491 27.704 1.00 43.70 ? 55 ARG B NH1 1 |
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ATOM 373 N NH2 . ARG A 1 55 ? -4.969 10.200 29.196 1.00 42.43 ? 55 ARG B NH2 1 |
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ATOM 374 N N . ARG A 1 56 ? 2.487 8.387 26.063 1.00 30.26 ? 56 ARG B N 1 |
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ATOM 375 C CA . ARG A 1 56 ? 3.859 7.982 25.782 1.00 31.30 ? 56 ARG B CA 1 |
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ATOM 376 C C . ARG A 1 56 ? 4.741 8.463 26.918 1.00 29.79 ? 56 ARG B C 1 |
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ATOM 377 O O . ARG A 1 56 ? 5.466 7.682 27.554 1.00 29.34 ? 56 ARG B O 1 |
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ATOM 378 C CB . ARG A 1 56 ? 4.366 8.570 24.459 1.00 29.96 ? 56 ARG B CB 1 |
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ATOM 379 C CG . ARG A 1 56 ? 4.029 7.727 23.252 1.00 37.59 ? 56 ARG B CG 1 |
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ATOM 380 C CD . ARG A 1 56 ? 4.931 8.006 22.064 1.00 41.63 ? 56 ARG B CD 1 |
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ATOM 381 N NE . ARG A 1 56 ? 4.251 7.863 20.784 1.00 32.57 ? 56 ARG B NE 1 |
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ATOM 382 C CZ . ARG A 1 56 ? 4.790 8.238 19.630 1.00 37.48 ? 56 ARG B CZ 1 |
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ATOM 383 N NH1 . ARG A 1 56 ? 4.125 8.070 18.490 1.00 36.67 ? 56 ARG B NH1 1 |
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ATOM 384 N NH2 . ARG A 1 56 ? 6.003 8.790 19.615 1.00 31.52 ? 56 ARG B NH2 1 |
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ATOM 385 N N . LEU A 1 57 ? 4.661 9.764 27.165 1.00 28.65 ? 57 LEU B N 1 |
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ATOM 386 C CA . LEU A 1 57 ? 5.503 10.409 28.145 1.00 29.56 ? 57 LEU B CA 1 |
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ATOM 387 C C . LEU A 1 57 ? 5.450 9.686 29.485 1.00 29.18 ? 57 LEU B C 1 |
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ATOM 388 O O . LEU A 1 57 ? 6.467 9.512 30.162 1.00 28.64 ? 57 LEU B O 1 |
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ATOM 389 C CB . LEU A 1 57 ? 5.050 11.865 28.330 1.00 31.23 ? 57 LEU B CB 1 |
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ATOM 390 C CG . LEU A 1 57 ? 6.126 12.666 29.021 1.00 37.24 ? 57 LEU B CG 1 |
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ATOM 391 C CD1 . LEU A 1 57 ? 6.587 13.848 28.190 1.00 36.88 ? 57 LEU B CD1 1 |
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ATOM 392 C CD2 . LEU A 1 57 ? 5.661 13.035 30.398 1.00 38.08 ? 57 LEU B CD2 1 |
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ATOM 393 N N . GLU A 1 58 ? 4.249 9.294 29.887 1.00 28.70 ? 58 GLU B N 1 |
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ATOM 394 C CA . GLU A 1 58 ? 4.051 8.705 31.207 1.00 29.05 ? 58 GLU B CA 1 |
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ATOM 395 C C . GLU A 1 58 ? 4.689 7.301 31.282 1.00 26.89 ? 58 GLU B C 1 |
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ATOM 396 O O . GLU A 1 58 ? 4.914 6.765 32.351 1.00 24.70 ? 58 GLU B O 1 |
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ATOM 397 C CB . GLU A 1 58 ? 2.562 8.655 31.490 1.00 31.41 ? 58 GLU B CB 1 |
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ATOM 398 C CG . GLU A 1 58 ? 2.119 7.822 32.673 1.00 33.81 ? 58 GLU B CG 1 |
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ATOM 399 C CD . GLU A 1 58 ? 0.726 8.220 33.081 1.00 36.41 ? 58 GLU B CD 1 |
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ATOM 400 O OE1 . GLU A 1 58 ? -0.068 8.469 32.142 1.00 33.60 ? 58 GLU B OE1 1 |
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ATOM 401 O OE2 . GLU A 1 58 ? 0.440 8.291 34.309 1.00 34.12 ? 58 GLU B OE2 1 |
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ATOM 402 N N . MET A 1 59 ? 5.026 6.736 30.137 1.00 27.09 ? 59 MET B N 1 |
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|
ATOM 403 C CA . MET A 1 59 ? 5.755 5.467 30.113 1.00 28.24 ? 59 MET B CA 1 |
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|
ATOM 404 C C . MET A 1 59 ? 7.195 5.596 30.646 1.00 27.82 ? 59 MET B C 1 |
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|
ATOM 405 O O . MET A 1 59 ? 7.828 4.586 30.967 1.00 29.00 ? 59 MET B O 1 |
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|
ATOM 406 C CB . MET A 1 59 ? 5.724 4.830 28.716 1.00 27.05 ? 59 MET B CB 1 |
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|
ATOM 407 C CG . MET A 1 59 ? 4.377 4.208 28.343 1.00 33.33 ? 59 MET B CG 1 |
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|
ATOM 408 S SD . MET A 1 59 ? 4.422 3.329 26.751 1.00 45.34 ? 59 MET B SD 1 |
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|
ATOM 409 C CE . MET A 1 59 ? 4.573 4.681 25.590 1.00 46.37 ? 59 MET B CE 1 |
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|
ATOM 410 N N . TYR A 1 60 ? 7.689 6.828 30.776 1.00 25.24 ? 60 TYR B N 1 |
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|
ATOM 411 C CA . TYR A 1 60 ? 9.037 7.059 31.298 1.00 24.77 ? 60 TYR B CA 1 |
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|
ATOM 412 C C . TYR A 1 60 ? 9.119 7.413 32.797 1.00 25.46 ? 60 TYR B C 1 |
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|
ATOM 413 O O . TYR A 1 60 ? 10.200 7.693 33.312 1.00 26.08 ? 60 TYR B O 1 |
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|
ATOM 414 C CB . TYR A 1 60 ? 9.807 8.050 30.412 1.00 23.53 ? 60 TYR B CB 1 |
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|
ATOM 415 C CG . TYR A 1 60 ? 10.075 7.476 29.045 1.00 26.44 ? 60 TYR B CG 1 |
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ATOM 416 C CD1 . TYR A 1 60 ? 9.124 7.572 28.028 1.00 28.61 ? 60 TYR B CD1 1 |
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|
ATOM 417 C CD2 . TYR A 1 60 ? 11.256 6.792 28.780 1.00 22.33 ? 60 TYR B CD2 1 |
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|
ATOM 418 C CE1 . TYR A 1 60 ? 9.353 7.020 26.790 1.00 31.47 ? 60 TYR B CE1 1 |
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|
ATOM 419 C CE2 . TYR A 1 60 ? 11.487 6.237 27.552 1.00 29.46 ? 60 TYR B CE2 1 |
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|
ATOM 420 C CZ . TYR A 1 60 ? 10.540 6.356 26.556 1.00 30.76 ? 60 TYR B CZ 1 |
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|
ATOM 421 O OH . TYR A 1 60 ? 10.787 5.792 25.325 1.00 34.53 ? 60 TYR B OH 1 |
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|
ATOM 422 N N . CYS A 1 61 ? 7.986 7.368 33.498 1.00 25.59 ? 61 CYS B N 1 |
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|
ATOM 423 C CA . CYS A 1 61 ? 7.997 7.423 34.969 1.00 28.89 ? 61 CYS B CA 1 |
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|
ATOM 424 C C . CYS A 1 61 ? 8.495 6.100 35.582 1.00 28.80 ? 61 CYS B C 1 |
|
|
ATOM 425 O O . CYS A 1 61 ? 8.085 5.042 35.145 1.00 27.77 ? 61 CYS B O 1 |
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|
ATOM 426 C CB . CYS A 1 61 ? 6.600 7.779 35.527 1.00 26.67 ? 61 CYS B CB 1 |
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|
ATOM 427 S SG . CYS A 1 61 ? 5.919 9.321 34.853 1.00 27.45 ? 61 CYS B SG 1 |
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|
ATOM 428 N N . ALA A 1 62 ? 9.371 6.167 36.588 1.00 29.38 ? 62 ALA B N 1 |
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|
ATOM 429 C CA . ALA A 1 62 ? 9.794 4.967 37.317 1.00 30.77 ? 62 ALA B CA 1 |
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|
ATOM 430 C C . ALA A 1 62 ? 8.588 4.288 37.939 1.00 32.95 ? 62 ALA B C 1 |
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|
ATOM 431 O O . ALA A 1 62 ? 7.612 4.951 38.263 1.00 34.05 ? 62 ALA B O 1 |
|
|
ATOM 432 C CB . ALA A 1 62 ? 10.824 5.319 38.406 1.00 29.18 ? 62 ALA B CB 1 |
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|
ATOM 433 N N . PRO A 1 63 ? 8.650 2.969 38.102 1.00 35.44 ? 63 PRO B N 1 |
|
|
ATOM 434 C CA . PRO A 1 63 ? 7.560 2.202 38.711 1.00 36.12 ? 63 PRO B CA 1 |
|
|
ATOM 435 C C . PRO A 1 63 ? 7.160 2.661 40.115 1.00 38.42 ? 63 PRO B C 1 |
|
|
ATOM 436 O O . PRO A 1 63 ? 8.001 3.094 40.905 1.00 38.96 ? 63 PRO B O 1 |
|
|
ATOM 437 C CB . PRO A 1 63 ? 8.137 0.785 38.778 1.00 36.54 ? 63 PRO B CB 1 |
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|
ATOM 438 C CG . PRO A 1 63 ? 9.102 0.749 37.651 1.00 37.07 ? 63 PRO B CG 1 |
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|
ATOM 439 C CD . PRO A 1 63 ? 9.759 2.098 37.666 1.00 35.05 ? 63 PRO B CD 1 |
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|
ATOM 440 N N . LEU A 1 64 ? 5.867 2.534 40.411 1.00 39.73 ? 64 LEU B N 1 |
|
|
ATOM 441 C CA . LEU A 1 64 ? 5.327 2.713 41.756 1.00 39.80 ? 64 LEU B CA 1 |
|
|
ATOM 442 C C . LEU A 1 64 ? 5.848 1.663 42.724 1.00 39.87 ? 64 LEU B C 1 |
|
|
ATOM 443 O O . LEU A 1 64 ? 5.579 0.467 42.561 1.00 40.66 ? 64 LEU B O 1 |
|
|
ATOM 444 C CB . LEU A 1 64 ? 3.801 2.628 41.719 1.00 39.57 ? 64 LEU B CB 1 |
|
|
ATOM 445 C CG . LEU A 1 64 ? 3.067 3.819 42.329 1.00 40.85 ? 64 LEU B CG 1 |
|
|
ATOM 446 C CD1 . LEU A 1 64 ? 2.400 4.654 41.245 1.00 39.65 ? 64 LEU B CD1 1 |
|
|
ATOM 447 C CD2 . LEU A 1 64 ? 2.054 3.337 43.358 1.00 39.28 ? 64 LEU B CD2 1 |
|
|
ATOM 448 N N . LYS A 1 65 ? 6.581 2.104 43.744 1.00 39.54 ? 65 LYS B N 1 |
|
|
ATOM 449 C CA . LYS A 1 65 ? 6.992 1.194 44.812 1.00 39.32 ? 65 LYS B CA 1 |
|
|
ATOM 450 C C . LYS A 1 65 ? 6.084 1.295 46.036 1.00 38.56 ? 65 LYS B C 1 |
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|
ATOM 451 O O . LYS A 1 65 ? 5.710 2.398 46.452 1.00 38.39 ? 65 LYS B O 1 |
|
|
ATOM 452 C CB . LYS A 1 65 ? 8.457 1.422 45.202 1.00 39.82 ? 65 LYS B CB 1 |
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ATOM 453 C CG . LYS A 1 65 ? 9.351 0.199 45.017 1.00 37.56 ? 65 LYS B CG 1 |
|
|
ATOM 454 C CD . LYS A 1 65 ? 8.956 -0.931 45.954 1.00 33.73 ? 65 LYS B CD 1 |
|
|
ATOM 455 C CE . LYS A 1 65 ? 9.096 -2.288 45.284 1.00 30.98 ? 65 LYS B CE 1 |
|
|
ATOM 456 N NZ . LYS A 1 65 ? 9.171 -3.393 46.295 1.00 31.42 ? 65 LYS B NZ 1 |
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|
ATOM 457 N N . PRO A 1 66 ? 5.721 0.128 46.572 1.00 37.92 ? 66 PRO B N 1 |
|
|
ATOM 458 C CA . PRO A 1 66 ? 5.133 -0.643 47.674 1.00 37.44 ? 66 PRO B CA 1 |
|
|
ATOM 459 C C . PRO A 1 66 ? 4.881 -2.086 47.256 1.00 37.27 ? 66 PRO B C 1 |
|
|
ATOM 460 O O . PRO A 1 66 ? 5.357 -2.991 47.941 1.00 37.65 ? 66 PRO B O 1 |
|
|
ATOM 461 C CB . PRO A 1 66 ? 3.807 0.064 47.926 1.00 37.16 ? 66 PRO B CB 1 |
|
|
ATOM 462 C CG . PRO A 1 66 ? 4.150 1.456 47.801 1.00 37.52 ? 66 PRO B CG 1 |
|
|
ATOM 463 C CD . PRO A 1 66 ? 5.553 1.451 47.205 1.00 38.26 ? 66 PRO B CD 1 |
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HETATM 464 C C1 . C15 B 2 . ? 20.059 6.473 31.375 1.00 43.78 ? 1067 C15 B C1 1 |
|
|
HETATM 465 C C2 . C15 B 2 . ? 20.555 7.911 31.478 1.00 43.79 ? 1067 C15 B C2 1 |
|
|
HETATM 466 C C3 . C15 B 2 . ? 20.332 8.662 30.170 1.00 45.62 ? 1067 C15 B C3 1 |
|
|
HETATM 467 C C5 . C15 B 2 . ? 18.380 19.014 37.684 1.00 38.11 ? 1067 C15 B C5 1 |
|
|
HETATM 468 C C6 . C15 B 2 . ? 17.409 17.876 37.902 1.00 36.82 ? 1067 C15 B C6 1 |
|
|
HETATM 469 C C7 . C15 B 2 . ? 17.140 17.086 36.621 1.00 36.67 ? 1067 C15 B C7 1 |
|
|
HETATM 470 C C8 . C15 B 2 . ? 18.420 16.540 36.003 1.00 38.53 ? 1067 C15 B C8 1 |
|
|
HETATM 471 N N1 . C15 B 2 . ? 21.347 9.684 29.971 1.00 47.10 ? 1067 C15 B N1 1 |
|
|
HETATM 472 C C9 . C15 B 2 . ? 18.341 16.659 34.486 1.00 38.13 ? 1067 C15 B C9 1 |
|
|
HETATM 473 C C10 . C15 B 2 . ? 18.245 15.273 33.873 1.00 37.15 ? 1067 C15 B C10 1 |
|
|
HETATM 474 C C11 . C15 B 2 . ? 19.087 15.193 32.622 1.00 35.77 ? 1067 C15 B C11 1 |
|
|
HETATM 475 C C12 . C15 B 2 . ? 19.948 13.935 32.611 1.00 37.31 ? 1067 C15 B C12 1 |
|
|
HETATM 476 C C13 . C15 B 2 . ? 19.670 13.229 31.293 1.00 39.39 ? 1067 C15 B C13 1 |
|
|
HETATM 477 C C14 . C15 B 2 . ? 20.793 12.315 30.835 1.00 39.17 ? 1067 C15 B C14 1 |
|
|
HETATM 478 C C15 . C15 B 2 . ? 20.464 11.930 29.399 1.00 43.17 ? 1067 C15 B C15 1 |
|
|
HETATM 479 C C16 . C15 B 2 . ? 21.192 10.681 28.928 1.00 45.32 ? 1067 C15 B C16 1 |
|
|
HETATM 480 S S1 . C15 B 2 . ? 18.463 6.337 32.178 1.00 44.00 ? 1067 C15 B S1 1 |
|
|
HETATM 481 O O1S . C15 B 2 . ? 18.627 5.452 33.301 1.00 44.87 ? 1067 C15 B O1S 1 |
|
|
HETATM 482 O O2S . C15 B 2 . ? 17.946 7.620 32.600 1.00 40.00 ? 1067 C15 B O2S 1 |
|
|
HETATM 483 O O3S . C15 B 2 . ? 17.294 5.667 31.044 1.00 46.07 ? 1067 C15 B O3S 1 |
|
|
HETATM 484 O O . HOH C 3 . ? 10.818 21.853 21.079 1.00 42.42 ? 2001 HOH B O 1 |
|
|
HETATM 485 O O . HOH C 3 . ? 6.743 19.644 39.388 1.00 36.64 ? 2002 HOH B O 1 |
|
|
HETATM 486 O O . HOH C 3 . ? 16.083 22.911 27.208 1.00 36.99 ? 2003 HOH B O 1 |
|
|
HETATM 487 O O . HOH C 3 . ? 10.993 21.934 23.740 1.00 27.80 ? 2004 HOH B O 1 |
|
|
HETATM 488 O O . HOH C 3 . ? 7.701 20.602 36.323 1.00 30.26 ? 2005 HOH B O 1 |
|
|
HETATM 489 O O . HOH C 3 . ? 12.069 21.350 41.698 1.00 27.59 ? 2006 HOH B O 1 |
|
|
HETATM 490 O O . HOH C 3 . ? 10.217 14.001 39.580 1.00 47.04 ? 2007 HOH B O 1 |
|
|
HETATM 491 O O . HOH C 3 . ? 20.622 3.178 30.110 1.00 53.77 ? 2008 HOH B O 1 |
|
|
HETATM 492 O O . HOH C 3 . ? 17.239 -2.237 28.845 1.00 35.86 ? 2009 HOH B O 1 |
|
|
HETATM 493 O O . HOH C 3 . ? 6.526 14.656 14.663 1.00 32.42 ? 2010 HOH B O 1 |
|
|
HETATM 494 O O . HOH C 3 . ? -6.051 9.030 26.017 1.00 47.98 ? 2011 HOH B O 1 |
|
|
HETATM 495 O O . HOH C 3 . ? 1.247 5.105 29.693 1.00 34.24 ? 2012 HOH B O 1 |
|
|
HETATM 496 O O . HOH C 3 . ? -2.349 9.457 31.428 1.00 33.61 ? 2013 HOH B O 1 |
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