|
|
data_1IMX |
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|
|
_entry.id 1IMX |
|
|
|
|
|
_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 |
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loop_ |
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_database_2.database_id |
|
|
_database_2.database_code |
|
|
_database_2.pdbx_database_accession |
|
|
_database_2.pdbx_DOI |
|
|
PDB 1IMX pdb_00001imx 10.2210/pdb1imx/pdb |
|
|
RCSB RCSB013417 ? ? |
|
|
WWPDB D_1000013417 ? ? |
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loop_ |
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|
_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 2001-09-05 |
|
|
2 'Structure model' 1 1 2008-04-27 |
|
|
3 'Structure model' 1 2 2011-07-13 |
|
|
4 'Structure model' 1 3 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' 'Version format compliance' |
|
|
2 3 'Structure model' 'Version format compliance' |
|
|
3 4 'Structure model' 'Data collection' |
|
|
4 4 'Structure model' 'Database references' |
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|
5 4 'Structure model' 'Derived calculations' |
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|
6 4 'Structure model' 'Structure summary' |
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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 4 'Structure model' chem_comp_atom |
|
|
2 4 'Structure model' chem_comp_bond |
|
|
3 4 'Structure model' database_2 |
|
|
4 4 'Structure model' pdbx_entry_details |
|
|
5 4 'Structure model' pdbx_modification_feature |
|
|
6 4 'Structure model' struct_site |
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loop_ |
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|
_pdbx_audit_revision_item.ordinal |
|
|
_pdbx_audit_revision_item.revision_ordinal |
|
|
_pdbx_audit_revision_item.data_content_type |
|
|
_pdbx_audit_revision_item.item |
|
|
1 4 'Structure model' '_database_2.pdbx_DOI' |
|
|
2 4 'Structure model' '_database_2.pdbx_database_accession' |
|
|
3 4 'Structure model' '_struct_site.pdbx_auth_asym_id' |
|
|
4 4 'Structure model' '_struct_site.pdbx_auth_comp_id' |
|
|
5 4 'Structure model' '_struct_site.pdbx_auth_seq_id' |
|
|
|
|
|
_pdbx_database_status.status_code REL |
|
|
_pdbx_database_status.entry_id 1IMX |
|
|
_pdbx_database_status.recvd_initial_deposition_date 2001-05-11 |
|
|
_pdbx_database_status.deposit_site RCSB |
|
|
_pdbx_database_status.process_site RCSB |
|
|
_pdbx_database_status.status_code_sf REL |
|
|
_pdbx_database_status.SG_entry . |
|
|
_pdbx_database_status.pdb_format_compatible Y |
|
|
_pdbx_database_status.status_code_mr ? |
|
|
_pdbx_database_status.status_code_cs ? |
|
|
_pdbx_database_status.status_code_nmr_data ? |
|
|
_pdbx_database_status.methods_development_category ? |
|
|
|
|
|
loop_ |
|
|
_audit_author.name |
|
|
_audit_author.pdbx_ordinal |
|
|
'Vajdos, F.F.' 1 |
|
|
'Ultsch, M.' 2 |
|
|
'Schaffer, M.L.' 3 |
|
|
'Deshayes, K.D.' 4 |
|
|
'Liu, J.' 5 |
|
|
'Skelton, N.J.' 6 |
|
|
'de Vos, A.M.' 7 |
|
|
|
|
|
_citation.id primary |
|
|
_citation.title |
|
|
'Crystal structure of human insulin-like growth factor-1: detergent binding inhibits binding protein interactions.' |
|
|
_citation.journal_abbrev Biochemistry |
|
|
_citation.journal_volume 40 |
|
|
_citation.page_first 11022 |
|
|
_citation.page_last 11029 |
|
|
_citation.year 2001 |
|
|
_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 11551198 |
|
|
_citation.pdbx_database_id_DOI 10.1021/bi0109111 |
|
|
|
|
|
loop_ |
|
|
_citation_author.citation_id |
|
|
_citation_author.name |
|
|
_citation_author.ordinal |
|
|
_citation_author.identifier_ORCID |
|
|
primary 'Vajdos, F.F.' 1 ? |
|
|
primary 'Ultsch, M.' 2 ? |
|
|
primary 'Schaffer, M.L.' 3 ? |
|
|
primary 'Deshayes, K.D.' 4 ? |
|
|
primary 'Liu, J.' 5 ? |
|
|
primary 'Skelton, N.J.' 6 ? |
|
|
primary 'de Vos, A.M.' 7 ? |
|
|
|
|
|
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 1A' 7663.752 1 ? ? ? ? |
|
|
2 non-polymer syn 'BROMIDE ION' 79.904 1 ? ? ? ? |
|
|
3 non-polymer syn 'N,N-BIS(3-D-GLUCONAMIDOPROPYL)DEOXYCHOLAMIDE' 862.056 1 ? ? ? ? |
|
|
4 water nat water 18.015 47 ? ? ? ? |
|
|
|
|
|
_entity_name_com.entity_id 1 |
|
|
_entity_name_com.name IGF-1 |
|
|
|
|
|
_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 A |
|
|
_entity_poly.pdbx_target_identifier ? |
|
|
|
|
|
loop_ |
|
|
_pdbx_entity_nonpoly.entity_id |
|
|
_pdbx_entity_nonpoly.name |
|
|
_pdbx_entity_nonpoly.comp_id |
|
|
2 'BROMIDE ION' BR |
|
|
3 'N,N-BIS(3-D-GLUCONAMIDOPROPYL)DEOXYCHOLAMIDE' CPQ |
|
|
4 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 Homo |
|
|
_entity_src_gen.pdbx_gene_src_gene IGF-1 |
|
|
_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 Escherichia |
|
|
_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 |
|
|
BR non-polymer . 'BROMIDE ION' ? 'Br -1' 79.904 |
|
|
CPQ non-polymer . 'N,N-BIS(3-D-GLUCONAMIDOPROPYL)DEOXYCHOLAMIDE' DEOXY-BIGCHAP 'C42 H75 N3 O15' 862.056 |
|
|
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 ? ? ? A . n |
|
|
A 1 2 PRO 2 2 ? ? ? A . n |
|
|
A 1 3 GLU 3 3 3 GLU GLU A . n |
|
|
A 1 4 THR 4 4 4 THR THR A . n |
|
|
A 1 5 LEU 5 5 5 LEU LEU A . n |
|
|
A 1 6 CYS 6 6 6 CYS CYS A . n |
|
|
A 1 7 GLY 7 7 7 GLY GLY A . n |
|
|
A 1 8 ALA 8 8 8 ALA ALA A . n |
|
|
A 1 9 GLU 9 9 9 GLU GLU A . n |
|
|
A 1 10 LEU 10 10 10 LEU LEU A . n |
|
|
A 1 11 VAL 11 11 11 VAL VAL A . n |
|
|
A 1 12 ASP 12 12 12 ASP ASP A . n |
|
|
A 1 13 ALA 13 13 13 ALA ALA A . n |
|
|
A 1 14 LEU 14 14 14 LEU LEU A . n |
|
|
A 1 15 GLN 15 15 15 GLN GLN A . n |
|
|
A 1 16 PHE 16 16 16 PHE PHE A . n |
|
|
A 1 17 VAL 17 17 17 VAL VAL A . n |
|
|
A 1 18 CYS 18 18 18 CYS CYS A . n |
|
|
A 1 19 GLY 19 19 19 GLY GLY A . n |
|
|
A 1 20 ASP 20 20 20 ASP ASP A . n |
|
|
A 1 21 ARG 21 21 21 ARG ARG A . n |
|
|
A 1 22 GLY 22 22 22 GLY GLY A . n |
|
|
A 1 23 PHE 23 23 23 PHE PHE A . n |
|
|
A 1 24 TYR 24 24 24 TYR TYR A . n |
|
|
A 1 25 PHE 25 25 25 PHE PHE A . n |
|
|
A 1 26 ASN 26 26 26 ASN ASN A . n |
|
|
A 1 27 LYS 27 27 27 LYS LYS A . n |
|
|
A 1 28 PRO 28 28 28 PRO PRO A . n |
|
|
A 1 29 THR 29 29 29 THR THR A . n |
|
|
A 1 30 GLY 30 30 30 GLY GLY A . n |
|
|
A 1 31 TYR 31 31 31 TYR TYR A . n |
|
|
A 1 32 GLY 32 32 32 GLY GLY A . n |
|
|
A 1 33 SER 33 33 33 SER SER A . n |
|
|
A 1 34 SER 34 34 34 SER SER A . n |
|
|
A 1 35 SER 35 35 ? ? ? A . n |
|
|
A 1 36 ARG 36 36 ? ? ? A . n |
|
|
A 1 37 ARG 37 37 ? ? ? A . n |
|
|
A 1 38 ALA 38 38 ? ? ? A . n |
|
|
A 1 39 PRO 39 39 ? ? ? A . n |
|
|
A 1 40 GLN 40 40 ? ? ? A . n |
|
|
A 1 41 THR 41 41 41 THR THR A . n |
|
|
A 1 42 GLY 42 42 42 GLY GLY A . n |
|
|
A 1 43 ILE 43 43 43 ILE ILE A . n |
|
|
A 1 44 VAL 44 44 44 VAL VAL A . n |
|
|
A 1 45 ASP 45 45 45 ASP ASP A . n |
|
|
A 1 46 GLU 46 46 46 GLU GLU A . n |
|
|
A 1 47 CYS 47 47 47 CYS CYS A . n |
|
|
A 1 48 CYS 48 48 48 CYS CYS A . n |
|
|
A 1 49 PHE 49 49 49 PHE PHE A . n |
|
|
A 1 50 ARG 50 50 50 ARG ARG A . n |
|
|
A 1 51 SER 51 51 51 SER SER A . n |
|
|
A 1 52 CYS 52 52 52 CYS CYS A . n |
|
|
A 1 53 ASP 53 53 53 ASP ASP A . n |
|
|
A 1 54 LEU 54 54 54 LEU LEU A . n |
|
|
A 1 55 ARG 55 55 55 ARG ARG A . n |
|
|
A 1 56 ARG 56 56 56 ARG ARG A . n |
|
|
A 1 57 LEU 57 57 57 LEU LEU A . n |
|
|
A 1 58 GLU 58 58 58 GLU GLU A . n |
|
|
A 1 59 MET 59 59 59 MET MET A . n |
|
|
A 1 60 TYR 60 60 60 TYR TYR A . n |
|
|
A 1 61 CYS 61 61 61 CYS CYS A . n |
|
|
A 1 62 ALA 62 62 62 ALA ALA A . n |
|
|
A 1 63 PRO 63 63 63 PRO PRO A . n |
|
|
A 1 64 LEU 64 64 64 LEU LEU A . n |
|
|
A 1 65 LYS 65 65 ? ? ? A . n |
|
|
A 1 66 PRO 66 66 ? ? ? A . n |
|
|
A 1 67 ALA 67 67 ? ? ? A . n |
|
|
A 1 68 LYS 68 68 ? ? ? A . n |
|
|
A 1 69 SER 69 69 ? ? ? A . n |
|
|
A 1 70 ALA 70 70 ? ? ? A . 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 BR 1 201 1 BR BR A . |
|
|
C 3 CPQ 1 101 1 CPQ DBC A . |
|
|
D 4 HOH 1 202 1 HOH HOH A . |
|
|
D 4 HOH 2 203 2 HOH HOH A . |
|
|
D 4 HOH 3 204 3 HOH HOH A . |
|
|
D 4 HOH 4 205 4 HOH HOH A . |
|
|
D 4 HOH 5 206 5 HOH HOH A . |
|
|
D 4 HOH 6 207 6 HOH HOH A . |
|
|
D 4 HOH 7 208 7 HOH HOH A . |
|
|
D 4 HOH 8 209 8 HOH HOH A . |
|
|
D 4 HOH 9 210 9 HOH HOH A . |
|
|
D 4 HOH 10 211 10 HOH HOH A . |
|
|
D 4 HOH 11 212 11 HOH HOH A . |
|
|
D 4 HOH 12 213 12 HOH HOH A . |
|
|
D 4 HOH 13 214 13 HOH HOH A . |
|
|
D 4 HOH 14 215 14 HOH HOH A . |
|
|
D 4 HOH 15 216 15 HOH HOH A . |
|
|
D 4 HOH 16 217 16 HOH HOH A . |
|
|
D 4 HOH 17 218 17 HOH HOH A . |
|
|
D 4 HOH 18 219 18 HOH HOH A . |
|
|
D 4 HOH 19 220 19 HOH HOH A . |
|
|
D 4 HOH 20 221 20 HOH HOH A . |
|
|
D 4 HOH 21 222 21 HOH HOH A . |
|
|
D 4 HOH 22 223 22 HOH HOH A . |
|
|
D 4 HOH 23 224 23 HOH HOH A . |
|
|
D 4 HOH 24 225 24 HOH HOH A . |
|
|
D 4 HOH 25 226 26 HOH HOH A . |
|
|
D 4 HOH 26 227 27 HOH HOH A . |
|
|
D 4 HOH 27 228 28 HOH HOH A . |
|
|
D 4 HOH 28 229 29 HOH HOH A . |
|
|
D 4 HOH 29 230 30 HOH HOH A . |
|
|
D 4 HOH 30 231 31 HOH HOH A . |
|
|
D 4 HOH 31 232 32 HOH HOH A . |
|
|
D 4 HOH 32 233 33 HOH HOH A . |
|
|
D 4 HOH 33 234 34 HOH HOH A . |
|
|
D 4 HOH 34 235 35 HOH HOH A . |
|
|
D 4 HOH 35 236 37 HOH HOH A . |
|
|
D 4 HOH 36 237 38 HOH HOH A . |
|
|
D 4 HOH 37 238 39 HOH HOH A . |
|
|
D 4 HOH 38 239 41 HOH HOH A . |
|
|
D 4 HOH 39 240 42 HOH HOH A . |
|
|
D 4 HOH 40 241 43 HOH HOH A . |
|
|
D 4 HOH 41 242 44 HOH HOH A . |
|
|
D 4 HOH 42 243 45 HOH HOH A . |
|
|
D 4 HOH 43 244 46 HOH HOH A . |
|
|
D 4 HOH 44 245 47 HOH HOH A . |
|
|
D 4 HOH 45 246 48 HOH HOH A . |
|
|
D 4 HOH 46 247 49 HOH HOH A . |
|
|
D 4 HOH 47 248 50 HOH HOH A . |
|
|
|
|
|
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 N 0 A CPQ 101 ? C81 ? C CPQ ? C81 |
|
|
2 1 N 0 A CPQ 101 ? O87 ? C CPQ ? O87 |
|
|
3 1 N 0 A CPQ 101 ? C82 ? C CPQ ? C82 |
|
|
4 1 N 0 A CPQ 101 ? O88 ? C CPQ ? O88 |
|
|
5 1 N 0 A CPQ 101 ? C83 ? C CPQ ? C83 |
|
|
6 1 N 0 A CPQ 101 ? O89 ? C CPQ ? O89 |
|
|
7 1 N 0 A CPQ 101 ? C84 ? C CPQ ? C84 |
|
|
8 1 N 0 A CPQ 101 ? O85 ? C CPQ ? O85 |
|
|
9 1 N 0 A CPQ 101 ? C92 ? C CPQ ? C92 |
|
|
10 1 N 0 A CPQ 101 ? O98 ? C CPQ ? O98 |
|
|
11 1 N 0 A CPQ 101 ? C93 ? C CPQ ? C93 |
|
|
12 1 N 0 A CPQ 101 ? O99 ? C CPQ ? O99 |
|
|
13 1 N 0 A CPQ 101 ? C94 ? C CPQ ? C94 |
|
|
14 1 N 0 A CPQ 101 ? O95 ? C CPQ ? O95 |
|
|
|
|
|
loop_ |
|
|
_software.name |
|
|
_software.classification |
|
|
_software.version |
|
|
_software.citation_id |
|
|
_software.pdbx_ordinal |
|
|
DENZO 'data reduction' . ? 1 |
|
|
SCALEPACK 'data scaling' . ? 2 |
|
|
SHARP phasing . ? 3 |
|
|
CNX refinement 2000 ? 4 |
|
|
|
|
|
_cell.entry_id 1IMX |
|
|
_cell.length_a 31.831 |
|
|
_cell.length_b 71.055 |
|
|
_cell.length_c 65.996 |
|
|
_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 1IMX |
|
|
_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 1IMX |
|
|
_exptl.method 'X-RAY DIFFRACTION' |
|
|
_exptl.crystals_number 1 |
|
|
|
|
|
_exptl_crystal.id 1 |
|
|
_exptl_crystal.density_meas ? |
|
|
_exptl_crystal.density_Matthews 2.43 |
|
|
_exptl_crystal.density_percent_sol 49.45 |
|
|
_exptl_crystal.description ? |
|
|
|
|
|
_exptl_crystal_grow.crystal_id 1 |
|
|
_exptl_crystal_grow.method 'VAPOR DIFFUSION, HANGING DROP' |
|
|
_exptl_crystal_grow.temp 293 |
|
|
_exptl_crystal_grow.temp_details ? |
|
|
_exptl_crystal_grow.pH 6.5 |
|
|
_exptl_crystal_grow.pdbx_details |
|
|
'PEG 3350, deoxy big CHAPS, sodium cacodylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K' |
|
|
_exptl_crystal_grow.pdbx_pH_range ? |
|
|
|
|
|
_diffrn.id 1 |
|
|
_diffrn.ambient_temp 100 |
|
|
_diffrn.ambient_temp_details ? |
|
|
_diffrn.crystal_id 1 |
|
|
|
|
|
_diffrn_detector.diffrn_id 1 |
|
|
_diffrn_detector.detector CCD |
|
|
_diffrn_detector.type 'ADSC QUANTUM 4' |
|
|
_diffrn_detector.pdbx_collection_date 2001-01-04 |
|
|
_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 'double-crystal monochromator' |
|
|
_diffrn_radiation.pdbx_diffrn_protocol MAD |
|
|
_diffrn_radiation.pdbx_scattering_type x-ray |
|
|
|
|
|
loop_ |
|
|
_diffrn_radiation_wavelength.id |
|
|
_diffrn_radiation_wavelength.wavelength |
|
|
_diffrn_radiation_wavelength.wt |
|
|
1 0.9197 1.0 |
|
|
2 1.5406 1.0 |
|
|
3 0.9199 1.0 |
|
|
4 0.8610 1.0 |
|
|
|
|
|
_diffrn_source.diffrn_id 1 |
|
|
_diffrn_source.source SYNCHROTRON |
|
|
_diffrn_source.type 'SSRL BEAMLINE BL9-2' |
|
|
_diffrn_source.pdbx_synchrotron_site SSRL |
|
|
_diffrn_source.pdbx_synchrotron_beamline BL9-2 |
|
|
_diffrn_source.pdbx_wavelength ? |
|
|
_diffrn_source.pdbx_wavelength_list '0.9197, 1.5406, 0.9199, 0.8610' |
|
|
|
|
|
_reflns.entry_id 1IMX |
|
|
_reflns.observed_criterion_sigma_I 2 |
|
|
_reflns.observed_criterion_sigma_F 2 |
|
|
_reflns.d_resolution_low 20.0 |
|
|
_reflns.d_resolution_high 1.82 |
|
|
_reflns.number_obs 6871 |
|
|
_reflns.number_all 6982 |
|
|
_reflns.percent_possible_obs 98.4 |
|
|
_reflns.pdbx_Rmerge_I_obs 0.038 |
|
|
_reflns.pdbx_Rsym_value ? |
|
|
_reflns.pdbx_netI_over_sigmaI 16.7 |
|
|
_reflns.B_iso_Wilson_estimate 26.2 |
|
|
_reflns.pdbx_redundancy 1.8 |
|
|
_reflns.R_free_details ? |
|
|
_reflns.limit_h_max ? |
|
|
_reflns.limit_h_min ? |
|
|
_reflns.limit_k_max ? |
|
|
_reflns.limit_k_min ? |
|
|
_reflns.limit_l_max ? |
|
|
_reflns.limit_l_min ? |
|
|
_reflns.observed_criterion_F_max ? |
|
|
_reflns.observed_criterion_F_min ? |
|
|
_reflns.pdbx_diffrn_id 1 |
|
|
_reflns.pdbx_ordinal 1 |
|
|
|
|
|
_reflns_shell.d_res_high 1.80 |
|
|
_reflns_shell.d_res_low 1.83 |
|
|
_reflns_shell.percent_possible_all 99.1 |
|
|
_reflns_shell.Rmerge_I_obs 0.29 |
|
|
_reflns_shell.pdbx_Rsym_value ? |
|
|
_reflns_shell.meanI_over_sigI_obs 3.5 |
|
|
_reflns_shell.pdbx_redundancy 1.8 |
|
|
_reflns_shell.percent_possible_obs ? |
|
|
_reflns_shell.number_unique_all ? |
|
|
_reflns_shell.pdbx_diffrn_id ? |
|
|
_reflns_shell.pdbx_ordinal 1 |
|
|
|
|
|
_refine.entry_id 1IMX |
|
|
_refine.ls_number_reflns_obs 6871 |
|
|
_refine.ls_number_reflns_all 7015 |
|
|
_refine.pdbx_ls_sigma_I ? |
|
|
_refine.pdbx_ls_sigma_F 0.0 |
|
|
_refine.pdbx_data_cutoff_high_absF 864194.51 |
|
|
_refine.pdbx_data_cutoff_low_absF 0.00 |
|
|
_refine.ls_d_res_low 19.00 |
|
|
_refine.ls_d_res_high 1.82 |
|
|
_refine.ls_percent_reflns_obs 97.9 |
|
|
_refine.ls_R_factor_obs ? |
|
|
_refine.ls_R_factor_all ? |
|
|
_refine.ls_R_factor_R_work 0.245 |
|
|
_refine.ls_R_factor_R_free 0.258 |
|
|
_refine.ls_R_factor_R_free_error 0.011 |
|
|
_refine.ls_R_factor_R_free_error_details ? |
|
|
_refine.ls_percent_reflns_R_free 8.1 |
|
|
_refine.ls_number_reflns_R_free 558 |
|
|
_refine.ls_number_parameters ? |
|
|
_refine.ls_number_restraints ? |
|
|
_refine.occupancy_min ? |
|
|
_refine.occupancy_max ? |
|
|
_refine.B_iso_mean 33.8 |
|
|
_refine.aniso_B[1][1] -3.68 |
|
|
_refine.aniso_B[2][2] -1.65 |
|
|
_refine.aniso_B[3][3] 5.33 |
|
|
_refine.aniso_B[1][2] 0.00 |
|
|
_refine.aniso_B[1][3] 0.00 |
|
|
_refine.aniso_B[2][3] 0.00 |
|
|
_refine.solvent_model_details ? |
|
|
_refine.solvent_model_param_ksol ? |
|
|
_refine.solvent_model_param_bsol ? |
|
|
_refine.pdbx_ls_cross_valid_method THROUGHOUT |
|
|
_refine.details ? |
|
|
_refine.pdbx_starting_model ? |
|
|
_refine.pdbx_method_to_determine_struct MAD |
|
|
_refine.pdbx_isotropic_thermal_model RESTRAINED |
|
|
_refine.pdbx_stereochemistry_target_values 'Engh & Huber' |
|
|
_refine.pdbx_stereochem_target_val_spec_case ? |
|
|
_refine.pdbx_R_Free_selection_details RANDOM |
|
|
_refine.pdbx_overall_ESU_R_Free ? |
|
|
_refine.overall_SU_B ? |
|
|
_refine.ls_redundancy_reflns_obs ? |
|
|
_refine.B_iso_min ? |
|
|
_refine.B_iso_max ? |
|
|
_refine.correlation_coeff_Fo_to_Fc ? |
|
|
_refine.correlation_coeff_Fo_to_Fc_free ? |
|
|
_refine.overall_SU_R_Cruickshank_DPI ? |
|
|
_refine.overall_SU_R_free ? |
|
|
_refine.overall_SU_ML ? |
|
|
_refine.pdbx_overall_ESU_R ? |
|
|
_refine.pdbx_data_cutoff_high_rms_absF ? |
|
|
_refine.pdbx_refine_id 'X-RAY DIFFRACTION' |
|
|
_refine.pdbx_diffrn_id 1 |
|
|
_refine.pdbx_TLS_residual_ADP_flag ? |
|
|
_refine.pdbx_solvent_vdw_probe_radii ? |
|
|
_refine.pdbx_solvent_ion_probe_radii ? |
|
|
_refine.pdbx_solvent_shrinkage_radii ? |
|
|
_refine.pdbx_overall_phase_error ? |
|
|
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? |
|
|
_refine.pdbx_overall_SU_R_Blow_DPI ? |
|
|
_refine.pdbx_overall_SU_R_free_Blow_DPI ? |
|
|
|
|
|
_refine_analyze.entry_id 1IMX |
|
|
_refine_analyze.Luzzati_coordinate_error_obs 0.24 |
|
|
_refine_analyze.Luzzati_sigma_a_obs 0.12 |
|
|
_refine_analyze.Luzzati_d_res_low_obs 5.00 |
|
|
_refine_analyze.Luzzati_coordinate_error_free 0.27 |
|
|
_refine_analyze.Luzzati_sigma_a_free 0.17 |
|
|
_refine_analyze.Luzzati_d_res_low_free ? |
|
|
_refine_analyze.number_disordered_residues ? |
|
|
_refine_analyze.occupancy_sum_hydrogen ? |
|
|
_refine_analyze.occupancy_sum_non_hydrogen ? |
|
|
_refine_analyze.pdbx_Luzzati_d_res_high_obs ? |
|
|
_refine_analyze.pdbx_refine_id 'X-RAY DIFFRACTION' |
|
|
|
|
|
_refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' |
|
|
_refine_hist.cycle_id LAST |
|
|
_refine_hist.pdbx_number_atoms_protein 431 |
|
|
_refine_hist.pdbx_number_atoms_nucleic_acid 0 |
|
|
_refine_hist.pdbx_number_atoms_ligand 61 |
|
|
_refine_hist.number_atoms_solvent 47 |
|
|
_refine_hist.number_atoms_total 539 |
|
|
_refine_hist.d_res_high 1.82 |
|
|
_refine_hist.d_res_low 19.00 |
|
|
|
|
|
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 |
|
|
c_bond_d 0.009 ? ? ? 'X-RAY DIFFRACTION' ? |
|
|
c_angle_deg 1.2 ? ? ? 'X-RAY DIFFRACTION' ? |
|
|
c_dihedral_angle_d 20.2 ? ? ? 'X-RAY DIFFRACTION' ? |
|
|
c_improper_angle_d 0.75 ? ? ? 'X-RAY DIFFRACTION' ? |
|
|
c_mcbond_it 1.86 1.50 ? ? 'X-RAY DIFFRACTION' ? |
|
|
c_mcangle_it 3.16 2.00 ? ? 'X-RAY DIFFRACTION' ? |
|
|
c_scbond_it 2.68 2.00 ? ? 'X-RAY DIFFRACTION' ? |
|
|
c_scangle_it 4.21 2.50 ? ? 'X-RAY DIFFRACTION' ? |
|
|
|
|
|
_refine_ls_shell.pdbx_total_number_of_bins_used 6 |
|
|
_refine_ls_shell.d_res_high 1.80 |
|
|
_refine_ls_shell.d_res_low 1.91 |
|
|
_refine_ls_shell.number_reflns_R_work 825 |
|
|
_refine_ls_shell.R_factor_R_work 0.274 |
|
|
_refine_ls_shell.percent_reflns_obs 74.6 |
|
|
_refine_ls_shell.R_factor_R_free 0.335 |
|
|
_refine_ls_shell.R_factor_R_free_error 0.046 |
|
|
_refine_ls_shell.percent_reflns_R_free 6.1 |
|
|
_refine_ls_shell.number_reflns_R_free 54 |
|
|
_refine_ls_shell.number_reflns_obs ? |
|
|
_refine_ls_shell.redundancy_reflns_obs ? |
|
|
_refine_ls_shell.number_reflns_all ? |
|
|
_refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' |
|
|
_refine_ls_shell.R_factor_all ? |
|
|
|
|
|
loop_ |
|
|
_pdbx_xplor_file.serial_no |
|
|
_pdbx_xplor_file.param_file |
|
|
_pdbx_xplor_file.topol_file |
|
|
_pdbx_xplor_file.pdbx_refine_id |
|
|
1 PROTEIN_REP.PARAM PROTEIN.TOP 'X-RAY DIFFRACTION' |
|
|
2 WATER_REP.PARAM WATER.TOP 'X-RAY DIFFRACTION' |
|
|
3 ION.PARAM ION.TOP 'X-RAY DIFFRACTION' |
|
|
4 DBC.PAR DBC.TOP 'X-RAY DIFFRACTION' |
|
|
|
|
|
_database_PDB_matrix.entry_id 1IMX |
|
|
_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 1IMX |
|
|
_struct.title '1.8 Angstrom crystal structure of IGF-1' |
|
|
_struct.pdbx_model_details ? |
|
|
_struct.pdbx_CASP_flag ? |
|
|
_struct.pdbx_model_type_details ? |
|
|
|
|
|
_struct_keywords.entry_id 1IMX |
|
|
_struct_keywords.pdbx_keywords 'HORMONE/GROWTH FACTOR' |
|
|
_struct_keywords.text 'insulin/relaxin, detergent, HORMONE-GROWTH FACTOR COMPLEX' |
|
|
|
|
|
loop_ |
|
|
_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 ? |
|
|
D N N 4 ? |
|
|
|
|
|
_struct_ref.id 1 |
|
|
_struct_ref.db_name UNP |
|
|
_struct_ref.db_code IGF1A_HUMAN |
|
|
_struct_ref.entity_id 1 |
|
|
_struct_ref.pdbx_seq_one_letter_code GPETLCGAELVDALQFVCGDRGFYFNKPTGYGSSSRRAPQTGIVDECCFRSCDLRRLEMYCAPLKPAKSA |
|
|
_struct_ref.pdbx_align_begin 49 |
|
|
_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 1IMX |
|
|
_struct_ref_seq.pdbx_strand_id A |
|
|
_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_defined_assembly |
|
|
_pdbx_struct_assembly.method_details ? |
|
|
_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,D |
|
|
|
|
|
_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 |
|
|
_struct_biol.pdbx_parent_biol_id ? |
|
|
_struct_biol.details ? |
|
|
|
|
|
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 A 6 GLY A 19 1 ? 14 |
|
|
HELX_P HELX_P2 2 GLY A 42 ? CYS A 48 ? GLY A 42 CYS A 48 1 ? 7 |
|
|
HELX_P HELX_P3 3 ASP A 53 ? MET A 59 ? ASP A 53 MET A 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 ? ? A CYS 6 A CYS 48 1_555 ? ? ? ? ? ? ? 2.031 ? ? |
|
|
disulf2 disulf ? ? A CYS 18 SG ? ? ? 1_555 A CYS 61 SG ? ? A CYS 18 A CYS 61 1_555 ? ? ? ? ? ? ? 2.028 ? ? |
|
|
disulf3 disulf ? ? A CYS 47 SG ? ? ? 1_555 A CYS 52 SG ? ? A CYS 47 A CYS 52 1_555 ? ? ? ? ? ? ? 2.034 ? ? |
|
|
|
|
|
_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 A 6 ? 1_555 CYS A 48 ? 1_555 SG SG . . . None 'Disulfide bridge' |
|
|
2 CYS A 18 ? CYS A 61 ? CYS A 18 ? 1_555 CYS A 61 ? 1_555 SG SG . . . None 'Disulfide bridge' |
|
|
3 CYS A 47 ? CYS A 52 ? CYS A 47 ? 1_555 CYS A 52 ? 1_555 SG SG . . . None 'Disulfide bridge' |
|
|
|
|
|
loop_ |
|
|
_struct_site.id |
|
|
_struct_site.pdbx_evidence_code |
|
|
_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 |
|
|
_struct_site.details |
|
|
AC1 Software A BR 201 ? 3 'BINDING SITE FOR RESIDUE BR A 201' |
|
|
AC2 Software A CPQ 101 ? 13 'BINDING SITE FOR RESIDUE CPQ A 101' |
|
|
|
|
|
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 3 TYR A 24 ? TYR A 24 . ? 1_555 ? |
|
|
2 AC1 3 PHE A 25 ? PHE A 25 . ? 1_555 ? |
|
|
3 AC1 3 ASN A 26 ? ASN A 26 . ? 1_555 ? |
|
|
4 AC2 13 GLU A 3 ? GLU A 3 . ? 1_555 ? |
|
|
5 AC2 13 THR A 4 ? THR A 4 . ? 1_555 ? |
|
|
6 AC2 13 LEU A 5 ? LEU A 5 . ? 1_555 ? |
|
|
7 AC2 13 GLN A 15 ? GLN A 15 . ? 8_456 ? |
|
|
8 AC2 13 PHE A 16 ? PHE A 16 . ? 1_555 ? |
|
|
9 AC2 13 PHE A 25 ? PHE A 25 . ? 8_456 ? |
|
|
10 AC2 13 TYR A 31 ? TYR A 31 . ? 5_455 ? |
|
|
11 AC2 13 ARG A 50 ? ARG A 50 . ? 6_655 ? |
|
|
12 AC2 13 CYS A 52 ? CYS A 52 . ? 1_555 ? |
|
|
13 AC2 13 HOH D . ? HOH A 203 . ? 1_555 ? |
|
|
14 AC2 13 HOH D . ? HOH A 204 . ? 1_555 ? |
|
|
15 AC2 13 HOH D . ? HOH A 212 . ? 1_555 ? |
|
|
16 AC2 13 HOH D . ? HOH A 215 . ? 1_555 ? |
|
|
|
|
|
_pdbx_entry_details.entry_id 1IMX |
|
|
_pdbx_entry_details.compound_details ? |
|
|
_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_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 A GLY 1 ? A GLY 1 |
|
|
2 1 Y 1 A PRO 2 ? A PRO 2 |
|
|
3 1 Y 1 A SER 35 ? A SER 35 |
|
|
4 1 Y 1 A ARG 36 ? A ARG 36 |
|
|
5 1 Y 1 A ARG 37 ? A ARG 37 |
|
|
6 1 Y 1 A ALA 38 ? A ALA 38 |
|
|
7 1 Y 1 A PRO 39 ? A PRO 39 |
|
|
8 1 Y 1 A GLN 40 ? A GLN 40 |
|
|
9 1 Y 1 A LYS 65 ? A LYS 65 |
|
|
10 1 Y 1 A PRO 66 ? A PRO 66 |
|
|
11 1 Y 1 A ALA 67 ? A ALA 67 |
|
|
12 1 Y 1 A LYS 68 ? A LYS 68 |
|
|
13 1 Y 1 A SER 69 ? A SER 69 |
|
|
14 1 Y 1 A 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 |
|
|
BR BR BR N N 74 |
|
|
CPQ C1 C N N 75 |
|
|
CPQ C2 C N S 76 |
|
|
CPQ C3 C N N 77 |
|
|
CPQ C4 C N S 78 |
|
|
CPQ C5 C N R 79 |
|
|
CPQ C6 C N S 80 |
|
|
CPQ C7 C N N 81 |
|
|
CPQ C8 C N N 82 |
|
|
CPQ C9 C N R 83 |
|
|
CPQ C10 C N N 84 |
|
|
CPQ C11 C N N 85 |
|
|
CPQ C12 C N N 86 |
|
|
CPQ C13 C N R 87 |
|
|
CPQ C14 C N N 88 |
|
|
CPQ C15 C N R 89 |
|
|
CPQ C16 C N N 90 |
|
|
CPQ C17 C N N 91 |
|
|
CPQ C18 C N R 92 |
|
|
CPQ C19 C N S 93 |
|
|
CPQ C20 C N R 94 |
|
|
CPQ C21 C N N 95 |
|
|
CPQ C22 C N N 96 |
|
|
CPQ C23 C N N 97 |
|
|
CPQ O2 O N N 98 |
|
|
CPQ O4 O N N 99 |
|
|
CPQ C57 C N N 100 |
|
|
CPQ N59 N N N 101 |
|
|
CPQ C74 C N N 102 |
|
|
CPQ C75 C N N 103 |
|
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CPQ C76 C N N 104 |
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CPQ N77 N N N 105 |
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CPQ C78 C N N 106 |
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CPQ C80 C N R 107 |
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CPQ O86 O N N 108 |
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CPQ C81 C N S 109 |
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CPQ O87 O N N 110 |
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CPQ C82 C N R 111 |
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CPQ O88 O N N 112 |
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CPQ C83 C N R 113 |
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CPQ O89 O N N 114 |
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CPQ C84 C N N 115 |
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CPQ O85 O N N 116 |
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CPQ O79 O N N 117 |
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CPQ C68 C N N 118 |
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CPQ C69 C N N 119 |
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CPQ C70 C N N 120 |
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CPQ N71 N N N 121 |
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CPQ C72 C N N 122 |
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CPQ C90 C N R 123 |
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CPQ O96 O N N 124 |
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CPQ C91 C N S 125 |
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CPQ O97 O N N 126 |
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CPQ C92 C N R 127 |
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CPQ O98 O N N 128 |
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CPQ C93 C N R 129 |
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CPQ O99 O N N 130 |
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CPQ C94 C N N 131 |
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CPQ O95 O N N 132 |
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CPQ O73 O N N 133 |
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CPQ O58 O N N 134 |
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CPQ H11 H N N 135 |
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CPQ H12 H N N 136 |
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CPQ H31 H N N 137 |
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CPQ H32 H N N 138 |
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CPQ H4 H N N 139 |
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CPQ H6 H N N 140 |
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CPQ H71 H N N 141 |
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CPQ H72 H N N 142 |
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CPQ H81 H N N 143 |
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CPQ H82 H N N 144 |
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CPQ H9 H N N 145 |
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CPQ H101 H N N 146 |
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CPQ H102 H N N 147 |
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CPQ H103 H N N 148 |
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CPQ H111 H N N 149 |
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CPQ H112 H N N 150 |
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CPQ H113 H N N 151 |
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CPQ H121 H N N 152 |
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CPQ H122 H N N 153 |
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CPQ H13 H N N 154 |
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CPQ H141 H N N 155 |
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CPQ H142 H N N 156 |
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CPQ H151 H N N 157 |
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CPQ H161 H N N 158 |
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CPQ H162 H N N 159 |
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CPQ H171 H N N 160 |
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CPQ H172 H N N 161 |
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CPQ H18 H N N 162 |
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CPQ H19 H N N 163 |
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CPQ H20 H N N 164 |
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CPQ H211 H N N 165 |
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CPQ H212 H N N 166 |
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CPQ H213 H N N 167 |
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CPQ H221 H N N 168 |
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CPQ H222 H N N 169 |
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CPQ H231 H N N 170 |
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CPQ H232 H N N 171 |
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CPQ HO2 H N N 172 |
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CPQ HO4 H N N 173 |
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CPQ H741 H N N 174 |
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CPQ H742 H N N 175 |
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CPQ H751 H N N 176 |
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CPQ H752 H N N 177 |
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CPQ H761 H N N 178 |
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CPQ H762 H N N 179 |
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CPQ H771 H N N 180 |
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CPQ H801 H N N 181 |
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CPQ H861 H N N 182 |
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CPQ H811 H N N 183 |
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CPQ H871 H N N 184 |
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CPQ H821 H N N 185 |
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CPQ H881 H N N 186 |
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CPQ H831 H N N 187 |
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CPQ H891 H N N 188 |
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CPQ H841 H N N 189 |
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CPQ H842 H N N 190 |
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CPQ H851 H N N 191 |
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CPQ H681 H N N 192 |
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CPQ H682 H N N 193 |
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CPQ H691 H N N 194 |
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CPQ H692 H N N 195 |
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CPQ H701 H N N 196 |
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CPQ H702 H N N 197 |
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CPQ H711 H N N 198 |
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CPQ H901 H N N 199 |
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CPQ H961 H N N 200 |
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CPQ H911 H N N 201 |
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CPQ H971 H N N 202 |
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CPQ H921 H N N 203 |
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CPQ H981 H N N 204 |
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CPQ H931 H N N 205 |
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CPQ H991 H N N 206 |
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CPQ H941 H N N 207 |
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CPQ H942 H N N 208 |
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CPQ H951 H N N 209 |
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CYS N N N N 210 |
|
|
CYS CA C N R 211 |
|
|
CYS C C N N 212 |
|
|
CYS O O N N 213 |
|
|
CYS CB C N N 214 |
|
|
CYS SG S N N 215 |
|
|
CYS OXT O N N 216 |
|
|
CYS H H N N 217 |
|
|
CYS H2 H N N 218 |
|
|
CYS HA H N N 219 |
|
|
CYS HB2 H N N 220 |
|
|
CYS HB3 H N N 221 |
|
|
CYS HG H N N 222 |
|
|
CYS HXT H N N 223 |
|
|
GLN N N N N 224 |
|
|
GLN CA C N S 225 |
|
|
GLN C C N N 226 |
|
|
GLN O O N N 227 |
|
|
GLN CB C N N 228 |
|
|
GLN CG C N N 229 |
|
|
GLN CD C N N 230 |
|
|
GLN OE1 O N N 231 |
|
|
GLN NE2 N N N 232 |
|
|
GLN OXT O N N 233 |
|
|
GLN H H N N 234 |
|
|
GLN H2 H N N 235 |
|
|
GLN HA H N N 236 |
|
|
GLN HB2 H N N 237 |
|
|
GLN HB3 H N N 238 |
|
|
GLN HG2 H N N 239 |
|
|
GLN HG3 H N N 240 |
|
|
GLN HE21 H N N 241 |
|
|
GLN HE22 H N N 242 |
|
|
GLN HXT H N N 243 |
|
|
GLU N N N N 244 |
|
|
GLU CA C N S 245 |
|
|
GLU C C N N 246 |
|
|
GLU O O N N 247 |
|
|
GLU CB C N N 248 |
|
|
GLU CG C N N 249 |
|
|
GLU CD C N N 250 |
|
|
GLU OE1 O N N 251 |
|
|
GLU OE2 O N N 252 |
|
|
GLU OXT O N N 253 |
|
|
GLU H H N N 254 |
|
|
GLU H2 H N N 255 |
|
|
GLU HA H N N 256 |
|
|
GLU HB2 H N N 257 |
|
|
GLU HB3 H N N 258 |
|
|
GLU HG2 H N N 259 |
|
|
GLU HG3 H N N 260 |
|
|
GLU HE2 H N N 261 |
|
|
GLU HXT H N N 262 |
|
|
GLY N N N N 263 |
|
|
GLY CA C N N 264 |
|
|
GLY C C N N 265 |
|
|
GLY O O N N 266 |
|
|
GLY OXT O N N 267 |
|
|
GLY H H N N 268 |
|
|
GLY H2 H N N 269 |
|
|
GLY HA2 H N N 270 |
|
|
GLY HA3 H N N 271 |
|
|
GLY HXT H N N 272 |
|
|
HOH O O N N 273 |
|
|
HOH H1 H N N 274 |
|
|
HOH H2 H N N 275 |
|
|
ILE N N N N 276 |
|
|
ILE CA C N S 277 |
|
|
ILE C C N N 278 |
|
|
ILE O O N N 279 |
|
|
ILE CB C N S 280 |
|
|
ILE CG1 C N N 281 |
|
|
ILE CG2 C N N 282 |
|
|
ILE CD1 C N N 283 |
|
|
ILE OXT O N N 284 |
|
|
ILE H H N N 285 |
|
|
ILE H2 H N N 286 |
|
|
ILE HA H N N 287 |
|
|
ILE HB H N N 288 |
|
|
ILE HG12 H N N 289 |
|
|
ILE HG13 H N N 290 |
|
|
ILE HG21 H N N 291 |
|
|
ILE HG22 H N N 292 |
|
|
ILE HG23 H N N 293 |
|
|
ILE HD11 H N N 294 |
|
|
ILE HD12 H N N 295 |
|
|
ILE HD13 H N N 296 |
|
|
ILE HXT H N N 297 |
|
|
LEU N N N N 298 |
|
|
LEU CA C N S 299 |
|
|
LEU C C N N 300 |
|
|
LEU O O N N 301 |
|
|
LEU CB C N N 302 |
|
|
LEU CG C N N 303 |
|
|
LEU CD1 C N N 304 |
|
|
LEU CD2 C N N 305 |
|
|
LEU OXT O N N 306 |
|
|
LEU H H N N 307 |
|
|
LEU H2 H N N 308 |
|
|
LEU HA H N N 309 |
|
|
LEU HB2 H N N 310 |
|
|
LEU HB3 H N N 311 |
|
|
LEU HG H N N 312 |
|
|
LEU HD11 H N N 313 |
|
|
LEU HD12 H N N 314 |
|
|
LEU HD13 H N N 315 |
|
|
LEU HD21 H N N 316 |
|
|
LEU HD22 H N N 317 |
|
|
LEU HD23 H N N 318 |
|
|
LEU HXT H N N 319 |
|
|
LYS N N N N 320 |
|
|
LYS CA C N S 321 |
|
|
LYS C C N N 322 |
|
|
LYS O O N N 323 |
|
|
LYS CB C N N 324 |
|
|
LYS CG C N N 325 |
|
|
LYS CD C N N 326 |
|
|
LYS CE C N N 327 |
|
|
LYS NZ N N N 328 |
|
|
LYS OXT O N N 329 |
|
|
LYS H H N N 330 |
|
|
LYS H2 H N N 331 |
|
|
LYS HA H N N 332 |
|
|
LYS HB2 H N N 333 |
|
|
LYS HB3 H N N 334 |
|
|
LYS HG2 H N N 335 |
|
|
LYS HG3 H N N 336 |
|
|
LYS HD2 H N N 337 |
|
|
LYS HD3 H N N 338 |
|
|
LYS HE2 H N N 339 |
|
|
LYS HE3 H N N 340 |
|
|
LYS HZ1 H N N 341 |
|
|
LYS HZ2 H N N 342 |
|
|
LYS HZ3 H N N 343 |
|
|
LYS HXT H N N 344 |
|
|
MET N N N N 345 |
|
|
MET CA C N S 346 |
|
|
MET C C N N 347 |
|
|
MET O O N N 348 |
|
|
MET CB C N N 349 |
|
|
MET CG C N N 350 |
|
|
MET SD S N N 351 |
|
|
MET CE C N N 352 |
|
|
MET OXT O N N 353 |
|
|
MET H H N N 354 |
|
|
MET H2 H N N 355 |
|
|
MET HA H N N 356 |
|
|
MET HB2 H N N 357 |
|
|
MET HB3 H N N 358 |
|
|
MET HG2 H N N 359 |
|
|
MET HG3 H N N 360 |
|
|
MET HE1 H N N 361 |
|
|
MET HE2 H N N 362 |
|
|
MET HE3 H N N 363 |
|
|
MET HXT H N N 364 |
|
|
PHE N N N N 365 |
|
|
PHE CA C N S 366 |
|
|
PHE C C N N 367 |
|
|
PHE O O N N 368 |
|
|
PHE CB C N N 369 |
|
|
PHE CG C Y N 370 |
|
|
PHE CD1 C Y N 371 |
|
|
PHE CD2 C Y N 372 |
|
|
PHE CE1 C Y N 373 |
|
|
PHE CE2 C Y N 374 |
|
|
PHE CZ C Y N 375 |
|
|
PHE OXT O N N 376 |
|
|
PHE H H N N 377 |
|
|
PHE H2 H N N 378 |
|
|
PHE HA H N N 379 |
|
|
PHE HB2 H N N 380 |
|
|
PHE HB3 H N N 381 |
|
|
PHE HD1 H N N 382 |
|
|
PHE HD2 H N N 383 |
|
|
PHE HE1 H N N 384 |
|
|
PHE HE2 H N N 385 |
|
|
PHE HZ H N N 386 |
|
|
PHE HXT H N N 387 |
|
|
PRO N N N N 388 |
|
|
PRO CA C N S 389 |
|
|
PRO C C N N 390 |
|
|
PRO O O N N 391 |
|
|
PRO CB C N N 392 |
|
|
PRO CG C N N 393 |
|
|
PRO CD C N N 394 |
|
|
PRO OXT O N N 395 |
|
|
PRO H H N N 396 |
|
|
PRO HA H N N 397 |
|
|
PRO HB2 H N N 398 |
|
|
PRO HB3 H N N 399 |
|
|
PRO HG2 H N N 400 |
|
|
PRO HG3 H N N 401 |
|
|
PRO HD2 H N N 402 |
|
|
PRO HD3 H N N 403 |
|
|
PRO HXT H N N 404 |
|
|
SER N N N N 405 |
|
|
SER CA C N S 406 |
|
|
SER C C N N 407 |
|
|
SER O O N N 408 |
|
|
SER CB C N N 409 |
|
|
SER OG O N N 410 |
|
|
SER OXT O N N 411 |
|
|
SER H H N N 412 |
|
|
SER H2 H N N 413 |
|
|
SER HA H N N 414 |
|
|
SER HB2 H N N 415 |
|
|
SER HB3 H N N 416 |
|
|
SER HG H N N 417 |
|
|
SER HXT H N N 418 |
|
|
THR N N N N 419 |
|
|
THR CA C N S 420 |
|
|
THR C C N N 421 |
|
|
THR O O N N 422 |
|
|
THR CB C N R 423 |
|
|
THR OG1 O N N 424 |
|
|
THR CG2 C N N 425 |
|
|
THR OXT O N N 426 |
|
|
THR H H N N 427 |
|
|
THR H2 H N N 428 |
|
|
THR HA H N N 429 |
|
|
THR HB H N N 430 |
|
|
THR HG1 H N N 431 |
|
|
THR HG21 H N N 432 |
|
|
THR HG22 H N N 433 |
|
|
THR HG23 H N N 434 |
|
|
THR HXT H N N 435 |
|
|
TYR N N N N 436 |
|
|
TYR CA C N S 437 |
|
|
TYR C C N N 438 |
|
|
TYR O O N N 439 |
|
|
TYR CB C N N 440 |
|
|
TYR CG C Y N 441 |
|
|
TYR CD1 C Y N 442 |
|
|
TYR CD2 C Y N 443 |
|
|
TYR CE1 C Y N 444 |
|
|
TYR CE2 C Y N 445 |
|
|
TYR CZ C Y N 446 |
|
|
TYR OH O N N 447 |
|
|
TYR OXT O N N 448 |
|
|
TYR H H N N 449 |
|
|
TYR H2 H N N 450 |
|
|
TYR HA H N N 451 |
|
|
TYR HB2 H N N 452 |
|
|
TYR HB3 H N N 453 |
|
|
TYR HD1 H N N 454 |
|
|
TYR HD2 H N N 455 |
|
|
TYR HE1 H N N 456 |
|
|
TYR HE2 H N N 457 |
|
|
TYR HH H N N 458 |
|
|
TYR HXT H N N 459 |
|
|
VAL N N N N 460 |
|
|
VAL CA C N S 461 |
|
|
VAL C C N N 462 |
|
|
VAL O O N N 463 |
|
|
VAL CB C N N 464 |
|
|
VAL CG1 C N N 465 |
|
|
VAL CG2 C N N 466 |
|
|
VAL OXT O N N 467 |
|
|
VAL H H N N 468 |
|
|
VAL H2 H N N 469 |
|
|
VAL HA H N N 470 |
|
|
VAL HB H N N 471 |
|
|
VAL HG11 H N N 472 |
|
|
VAL HG12 H N N 473 |
|
|
VAL HG13 H N N 474 |
|
|
VAL HG21 H N N 475 |
|
|
VAL HG22 H N N 476 |
|
|
VAL HG23 H N N 477 |
|
|
VAL HXT H N N 478 |
|
|
|
|
|
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 |
|
|
CPQ C1 C2 sing N N 70 |
|
|
CPQ C1 C12 sing N N 71 |
|
|
CPQ C1 H11 sing N N 72 |
|
|
CPQ C1 H12 sing N N 73 |
|
|
CPQ C2 C11 sing N N 74 |
|
|
CPQ C2 C15 sing N N 75 |
|
|
CPQ C2 C19 sing N N 76 |
|
|
CPQ C3 C4 sing N N 77 |
|
|
CPQ C3 C19 sing N N 78 |
|
|
CPQ C3 H31 sing N N 79 |
|
|
CPQ C3 H32 sing N N 80 |
|
|
CPQ C4 C5 sing N N 81 |
|
|
CPQ C4 O4 sing N N 82 |
|
|
CPQ C4 H4 sing N N 83 |
|
|
CPQ C5 C6 sing N N 84 |
|
|
CPQ C5 C9 sing N N 85 |
|
|
CPQ C5 C10 sing N N 86 |
|
|
CPQ C6 C7 sing N N 87 |
|
|
CPQ C6 C18 sing N N 88 |
|
|
CPQ C6 H6 sing N N 89 |
|
|
CPQ C7 C8 sing N N 90 |
|
|
CPQ C7 H71 sing N N 91 |
|
|
CPQ C7 H72 sing N N 92 |
|
|
CPQ C8 C9 sing N N 93 |
|
|
CPQ C8 H81 sing N N 94 |
|
|
CPQ C8 H82 sing N N 95 |
|
|
CPQ C9 C20 sing N N 96 |
|
|
CPQ C9 H9 sing N N 97 |
|
|
CPQ C10 H101 sing N N 98 |
|
|
CPQ C10 H102 sing N N 99 |
|
|
CPQ C10 H103 sing N N 100 |
|
|
CPQ C11 H111 sing N N 101 |
|
|
CPQ C11 H112 sing N N 102 |
|
|
CPQ C11 H113 sing N N 103 |
|
|
CPQ C12 C13 sing N N 104 |
|
|
CPQ C12 H121 sing N N 105 |
|
|
CPQ C12 H122 sing N N 106 |
|
|
CPQ C13 C14 sing N N 107 |
|
|
CPQ C13 O2 sing N N 108 |
|
|
CPQ C13 H13 sing N N 109 |
|
|
CPQ C14 C15 sing N N 110 |
|
|
CPQ C14 H141 sing N N 111 |
|
|
CPQ C14 H142 sing N N 112 |
|
|
CPQ C15 C16 sing N N 113 |
|
|
CPQ C15 H151 sing N N 114 |
|
|
CPQ C16 C17 sing N N 115 |
|
|
CPQ C16 H161 sing N N 116 |
|
|
CPQ C16 H162 sing N N 117 |
|
|
CPQ C17 C18 sing N N 118 |
|
|
CPQ C17 H171 sing N N 119 |
|
|
CPQ C17 H172 sing N N 120 |
|
|
CPQ C18 C19 sing N N 121 |
|
|
CPQ C18 H18 sing N N 122 |
|
|
CPQ C19 H19 sing N N 123 |
|
|
CPQ C20 C21 sing N N 124 |
|
|
CPQ C20 C22 sing N N 125 |
|
|
CPQ C20 H20 sing N N 126 |
|
|
CPQ C21 H211 sing N N 127 |
|
|
CPQ C21 H212 sing N N 128 |
|
|
CPQ C21 H213 sing N N 129 |
|
|
CPQ C22 C23 sing N N 130 |
|
|
CPQ C22 H221 sing N N 131 |
|
|
CPQ C22 H222 sing N N 132 |
|
|
CPQ C23 C57 sing N N 133 |
|
|
CPQ C23 H231 sing N N 134 |
|
|
CPQ C23 H232 sing N N 135 |
|
|
CPQ O2 HO2 sing N N 136 |
|
|
CPQ O4 HO4 sing N N 137 |
|
|
CPQ C57 N59 sing N N 138 |
|
|
CPQ C57 O58 doub N N 139 |
|
|
CPQ N59 C74 sing N N 140 |
|
|
CPQ N59 C68 sing N N 141 |
|
|
CPQ C74 C75 sing N N 142 |
|
|
CPQ C74 H741 sing N N 143 |
|
|
CPQ C74 H742 sing N N 144 |
|
|
CPQ C75 C76 sing N N 145 |
|
|
CPQ C75 H751 sing N N 146 |
|
|
CPQ C75 H752 sing N N 147 |
|
|
CPQ C76 N77 sing N N 148 |
|
|
CPQ C76 H761 sing N N 149 |
|
|
CPQ C76 H762 sing N N 150 |
|
|
CPQ N77 C78 sing N N 151 |
|
|
CPQ N77 H771 sing N N 152 |
|
|
CPQ C78 C80 sing N N 153 |
|
|
CPQ C78 O79 doub N N 154 |
|
|
CPQ C80 O86 sing N N 155 |
|
|
CPQ C80 C81 sing N N 156 |
|
|
CPQ C80 H801 sing N N 157 |
|
|
CPQ O86 H861 sing N N 158 |
|
|
CPQ C81 O87 sing N N 159 |
|
|
CPQ C81 C82 sing N N 160 |
|
|
CPQ C81 H811 sing N N 161 |
|
|
CPQ O87 H871 sing N N 162 |
|
|
CPQ C82 O88 sing N N 163 |
|
|
CPQ C82 C83 sing N N 164 |
|
|
CPQ C82 H821 sing N N 165 |
|
|
CPQ O88 H881 sing N N 166 |
|
|
CPQ C83 O89 sing N N 167 |
|
|
CPQ C83 C84 sing N N 168 |
|
|
CPQ C83 H831 sing N N 169 |
|
|
CPQ O89 H891 sing N N 170 |
|
|
CPQ C84 O85 sing N N 171 |
|
|
CPQ C84 H841 sing N N 172 |
|
|
CPQ C84 H842 sing N N 173 |
|
|
CPQ O85 H851 sing N N 174 |
|
|
CPQ C68 C69 sing N N 175 |
|
|
CPQ C68 H681 sing N N 176 |
|
|
CPQ C68 H682 sing N N 177 |
|
|
CPQ C69 C70 sing N N 178 |
|
|
CPQ C69 H691 sing N N 179 |
|
|
CPQ C69 H692 sing N N 180 |
|
|
CPQ C70 N71 sing N N 181 |
|
|
CPQ C70 H701 sing N N 182 |
|
|
CPQ C70 H702 sing N N 183 |
|
|
CPQ N71 C72 sing N N 184 |
|
|
CPQ N71 H711 sing N N 185 |
|
|
CPQ C72 C90 sing N N 186 |
|
|
CPQ C72 O73 doub N N 187 |
|
|
CPQ C90 O96 sing N N 188 |
|
|
CPQ C90 C91 sing N N 189 |
|
|
CPQ C90 H901 sing N N 190 |
|
|
CPQ O96 H961 sing N N 191 |
|
|
CPQ C91 O97 sing N N 192 |
|
|
CPQ C91 C92 sing N N 193 |
|
|
CPQ C91 H911 sing N N 194 |
|
|
CPQ O97 H971 sing N N 195 |
|
|
CPQ C92 O98 sing N N 196 |
|
|
CPQ C92 C93 sing N N 197 |
|
|
CPQ C92 H921 sing N N 198 |
|
|
CPQ O98 H981 sing N N 199 |
|
|
CPQ C93 O99 sing N N 200 |
|
|
CPQ C93 C94 sing N N 201 |
|
|
CPQ C93 H931 sing N N 202 |
|
|
CPQ O99 H991 sing N N 203 |
|
|
CPQ C94 O95 sing N N 204 |
|
|
CPQ C94 H941 sing N N 205 |
|
|
CPQ C94 H942 sing N N 206 |
|
|
CPQ O95 H951 sing N N 207 |
|
|
CYS N CA sing N N 208 |
|
|
CYS N H sing N N 209 |
|
|
CYS N H2 sing N N 210 |
|
|
CYS CA C sing N N 211 |
|
|
CYS CA CB sing N N 212 |
|
|
CYS CA HA sing N N 213 |
|
|
CYS C O doub N N 214 |
|
|
CYS C OXT sing N N 215 |
|
|
CYS CB SG sing N N 216 |
|
|
CYS CB HB2 sing N N 217 |
|
|
CYS CB HB3 sing N N 218 |
|
|
CYS SG HG sing N N 219 |
|
|
CYS OXT HXT sing N N 220 |
|
|
GLN N CA sing N N 221 |
|
|
GLN N H sing N N 222 |
|
|
GLN N H2 sing N N 223 |
|
|
GLN CA C sing N N 224 |
|
|
GLN CA CB sing N N 225 |
|
|
GLN CA HA sing N N 226 |
|
|
GLN C O doub N N 227 |
|
|
GLN C OXT sing N N 228 |
|
|
GLN CB CG sing N N 229 |
|
|
GLN CB HB2 sing N N 230 |
|
|
GLN CB HB3 sing N N 231 |
|
|
GLN CG CD sing N N 232 |
|
|
GLN CG HG2 sing N N 233 |
|
|
GLN CG HG3 sing N N 234 |
|
|
GLN CD OE1 doub N N 235 |
|
|
GLN CD NE2 sing N N 236 |
|
|
GLN NE2 HE21 sing N N 237 |
|
|
GLN NE2 HE22 sing N N 238 |
|
|
GLN OXT HXT sing N N 239 |
|
|
GLU N CA sing N N 240 |
|
|
GLU N H sing N N 241 |
|
|
GLU N H2 sing N N 242 |
|
|
GLU CA C sing N N 243 |
|
|
GLU CA CB sing N N 244 |
|
|
GLU CA HA sing N N 245 |
|
|
GLU C O doub N N 246 |
|
|
GLU C OXT sing N N 247 |
|
|
GLU CB CG sing N N 248 |
|
|
GLU CB HB2 sing N N 249 |
|
|
GLU CB HB3 sing N N 250 |
|
|
GLU CG CD sing N N 251 |
|
|
GLU CG HG2 sing N N 252 |
|
|
GLU CG HG3 sing N N 253 |
|
|
GLU CD OE1 doub N N 254 |
|
|
GLU CD OE2 sing N N 255 |
|
|
GLU OE2 HE2 sing N N 256 |
|
|
GLU OXT HXT sing N N 257 |
|
|
GLY N CA sing N N 258 |
|
|
GLY N H sing N N 259 |
|
|
GLY N H2 sing N N 260 |
|
|
GLY CA C sing N N 261 |
|
|
GLY CA HA2 sing N N 262 |
|
|
GLY CA HA3 sing N N 263 |
|
|
GLY C O doub N N 264 |
|
|
GLY C OXT sing N N 265 |
|
|
GLY OXT HXT sing N N 266 |
|
|
HOH O H1 sing N N 267 |
|
|
HOH O H2 sing N N 268 |
|
|
ILE N CA sing N N 269 |
|
|
ILE N H sing N N 270 |
|
|
ILE N H2 sing N N 271 |
|
|
ILE CA C sing N N 272 |
|
|
ILE CA CB sing N N 273 |
|
|
ILE CA HA sing N N 274 |
|
|
ILE C O doub N N 275 |
|
|
ILE C OXT sing N N 276 |
|
|
ILE CB CG1 sing N N 277 |
|
|
ILE CB CG2 sing N N 278 |
|
|
ILE CB HB sing N N 279 |
|
|
ILE CG1 CD1 sing N N 280 |
|
|
ILE CG1 HG12 sing N N 281 |
|
|
ILE CG1 HG13 sing N N 282 |
|
|
ILE CG2 HG21 sing N N 283 |
|
|
ILE CG2 HG22 sing N N 284 |
|
|
ILE CG2 HG23 sing N N 285 |
|
|
ILE CD1 HD11 sing N N 286 |
|
|
ILE CD1 HD12 sing N N 287 |
|
|
ILE CD1 HD13 sing N N 288 |
|
|
ILE OXT HXT sing N N 289 |
|
|
LEU N CA sing N N 290 |
|
|
LEU N H sing N N 291 |
|
|
LEU N H2 sing N N 292 |
|
|
LEU CA C sing N N 293 |
|
|
LEU CA CB sing N N 294 |
|
|
LEU CA HA sing N N 295 |
|
|
LEU C O doub N N 296 |
|
|
LEU C OXT sing N N 297 |
|
|
LEU CB CG sing N N 298 |
|
|
LEU CB HB2 sing N N 299 |
|
|
LEU CB HB3 sing N N 300 |
|
|
LEU CG CD1 sing N N 301 |
|
|
LEU CG CD2 sing N N 302 |
|
|
LEU CG HG sing N N 303 |
|
|
LEU CD1 HD11 sing N N 304 |
|
|
LEU CD1 HD12 sing N N 305 |
|
|
LEU CD1 HD13 sing N N 306 |
|
|
LEU CD2 HD21 sing N N 307 |
|
|
LEU CD2 HD22 sing N N 308 |
|
|
LEU CD2 HD23 sing N N 309 |
|
|
LEU OXT HXT sing N N 310 |
|
|
LYS N CA sing N N 311 |
|
|
LYS N H sing N N 312 |
|
|
LYS N H2 sing N N 313 |
|
|
LYS CA C sing N N 314 |
|
|
LYS CA CB sing N N 315 |
|
|
LYS CA HA sing N N 316 |
|
|
LYS C O doub N N 317 |
|
|
LYS C OXT sing N N 318 |
|
|
LYS CB CG sing N N 319 |
|
|
LYS CB HB2 sing N N 320 |
|
|
LYS CB HB3 sing N N 321 |
|
|
LYS CG CD sing N N 322 |
|
|
LYS CG HG2 sing N N 323 |
|
|
LYS CG HG3 sing N N 324 |
|
|
LYS CD CE sing N N 325 |
|
|
LYS CD HD2 sing N N 326 |
|
|
LYS CD HD3 sing N N 327 |
|
|
LYS CE NZ sing N N 328 |
|
|
LYS CE HE2 sing N N 329 |
|
|
LYS CE HE3 sing N N 330 |
|
|
LYS NZ HZ1 sing N N 331 |
|
|
LYS NZ HZ2 sing N N 332 |
|
|
LYS NZ HZ3 sing N N 333 |
|
|
LYS OXT HXT sing N N 334 |
|
|
MET N CA sing N N 335 |
|
|
MET N H sing N N 336 |
|
|
MET N H2 sing N N 337 |
|
|
MET CA C sing N N 338 |
|
|
MET CA CB sing N N 339 |
|
|
MET CA HA sing N N 340 |
|
|
MET C O doub N N 341 |
|
|
MET C OXT sing N N 342 |
|
|
MET CB CG sing N N 343 |
|
|
MET CB HB2 sing N N 344 |
|
|
MET CB HB3 sing N N 345 |
|
|
MET CG SD sing N N 346 |
|
|
MET CG HG2 sing N N 347 |
|
|
MET CG HG3 sing N N 348 |
|
|
MET SD CE sing N N 349 |
|
|
MET CE HE1 sing N N 350 |
|
|
MET CE HE2 sing N N 351 |
|
|
MET CE HE3 sing N N 352 |
|
|
MET OXT HXT sing N N 353 |
|
|
PHE N CA sing N N 354 |
|
|
PHE N H sing N N 355 |
|
|
PHE N H2 sing N N 356 |
|
|
PHE CA C sing N N 357 |
|
|
PHE CA CB sing N N 358 |
|
|
PHE CA HA sing N N 359 |
|
|
PHE C O doub N N 360 |
|
|
PHE C OXT sing N N 361 |
|
|
PHE CB CG sing N N 362 |
|
|
PHE CB HB2 sing N N 363 |
|
|
PHE CB HB3 sing N N 364 |
|
|
PHE CG CD1 doub Y N 365 |
|
|
PHE CG CD2 sing Y N 366 |
|
|
PHE CD1 CE1 sing Y N 367 |
|
|
PHE CD1 HD1 sing N N 368 |
|
|
PHE CD2 CE2 doub Y N 369 |
|
|
PHE CD2 HD2 sing N N 370 |
|
|
PHE CE1 CZ doub Y N 371 |
|
|
PHE CE1 HE1 sing N N 372 |
|
|
PHE CE2 CZ sing Y N 373 |
|
|
PHE CE2 HE2 sing N N 374 |
|
|
PHE CZ HZ sing N N 375 |
|
|
PHE OXT HXT sing N N 376 |
|
|
PRO N CA sing N N 377 |
|
|
PRO N CD sing N N 378 |
|
|
PRO N H sing N N 379 |
|
|
PRO CA C sing N N 380 |
|
|
PRO CA CB sing N N 381 |
|
|
PRO CA HA sing N N 382 |
|
|
PRO C O doub N N 383 |
|
|
PRO C OXT sing N N 384 |
|
|
PRO CB CG sing N N 385 |
|
|
PRO CB HB2 sing N N 386 |
|
|
PRO CB HB3 sing N N 387 |
|
|
PRO CG CD sing N N 388 |
|
|
PRO CG HG2 sing N N 389 |
|
|
PRO CG HG3 sing N N 390 |
|
|
PRO CD HD2 sing N N 391 |
|
|
PRO CD HD3 sing N N 392 |
|
|
PRO OXT HXT sing N N 393 |
|
|
SER N CA sing N N 394 |
|
|
SER N H sing N N 395 |
|
|
SER N H2 sing N N 396 |
|
|
SER CA C sing N N 397 |
|
|
SER CA CB sing N N 398 |
|
|
SER CA HA sing N N 399 |
|
|
SER C O doub N N 400 |
|
|
SER C OXT sing N N 401 |
|
|
SER CB OG sing N N 402 |
|
|
SER CB HB2 sing N N 403 |
|
|
SER CB HB3 sing N N 404 |
|
|
SER OG HG sing N N 405 |
|
|
SER OXT HXT sing N N 406 |
|
|
THR N CA sing N N 407 |
|
|
THR N H sing N N 408 |
|
|
THR N H2 sing N N 409 |
|
|
THR CA C sing N N 410 |
|
|
THR CA CB sing N N 411 |
|
|
THR CA HA sing N N 412 |
|
|
THR C O doub N N 413 |
|
|
THR C OXT sing N N 414 |
|
|
THR CB OG1 sing N N 415 |
|
|
THR CB CG2 sing N N 416 |
|
|
THR CB HB sing N N 417 |
|
|
THR OG1 HG1 sing N N 418 |
|
|
THR CG2 HG21 sing N N 419 |
|
|
THR CG2 HG22 sing N N 420 |
|
|
THR CG2 HG23 sing N N 421 |
|
|
THR OXT HXT sing N N 422 |
|
|
TYR N CA sing N N 423 |
|
|
TYR N H sing N N 424 |
|
|
TYR N H2 sing N N 425 |
|
|
TYR CA C sing N N 426 |
|
|
TYR CA CB sing N N 427 |
|
|
TYR CA HA sing N N 428 |
|
|
TYR C O doub N N 429 |
|
|
TYR C OXT sing N N 430 |
|
|
TYR CB CG sing N N 431 |
|
|
TYR CB HB2 sing N N 432 |
|
|
TYR CB HB3 sing N N 433 |
|
|
TYR CG CD1 doub Y N 434 |
|
|
TYR CG CD2 sing Y N 435 |
|
|
TYR CD1 CE1 sing Y N 436 |
|
|
TYR CD1 HD1 sing N N 437 |
|
|
TYR CD2 CE2 doub Y N 438 |
|
|
TYR CD2 HD2 sing N N 439 |
|
|
TYR CE1 CZ doub Y N 440 |
|
|
TYR CE1 HE1 sing N N 441 |
|
|
TYR CE2 CZ sing Y N 442 |
|
|
TYR CE2 HE2 sing N N 443 |
|
|
TYR CZ OH sing N N 444 |
|
|
TYR OH HH sing N N 445 |
|
|
TYR OXT HXT sing N N 446 |
|
|
VAL N CA sing N N 447 |
|
|
VAL N H sing N N 448 |
|
|
VAL N H2 sing N N 449 |
|
|
VAL CA C sing N N 450 |
|
|
VAL CA CB sing N N 451 |
|
|
VAL CA HA sing N N 452 |
|
|
VAL C O doub N N 453 |
|
|
VAL C OXT sing N N 454 |
|
|
VAL CB CG1 sing N N 455 |
|
|
VAL CB CG2 sing N N 456 |
|
|
VAL CB HB sing N N 457 |
|
|
VAL CG1 HG11 sing N N 458 |
|
|
VAL CG1 HG12 sing N N 459 |
|
|
VAL CG1 HG13 sing N N 460 |
|
|
VAL CG2 HG21 sing N N 461 |
|
|
VAL CG2 HG22 sing N N 462 |
|
|
VAL CG2 HG23 sing N N 463 |
|
|
VAL OXT HXT sing N N 464 |
|
|
|
|
|
_atom_sites.entry_id 1IMX |
|
|
_atom_sites.fract_transf_matrix[1][1] 0.031416 |
|
|
_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] 0.014074 |
|
|
_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] 0.015152 |
|
|
_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 |
|
|
BR |
|
|
C |
|
|
N |
|
|
O |
|
|
S |
|
|
|
|
|
loop_ |
|
|
_atom_site.group_PDB |
|
|
_atom_site.id |
|
|
_atom_site.type_symbol |
|
|
_atom_site.label_atom_id |
|
|
_atom_site.label_alt_id |
|
|
_atom_site.label_comp_id |
|
|
_atom_site.label_asym_id |
|
|
_atom_site.label_entity_id |
|
|
_atom_site.label_seq_id |
|
|
_atom_site.pdbx_PDB_ins_code |
|
|
_atom_site.Cartn_x |
|
|
_atom_site.Cartn_y |
|
|
_atom_site.Cartn_z |
|
|
_atom_site.occupancy |
|
|
_atom_site.B_iso_or_equiv |
|
|
_atom_site.pdbx_formal_charge |
|
|
_atom_site.auth_seq_id |
|
|
_atom_site.auth_comp_id |
|
|
_atom_site.auth_asym_id |
|
|
_atom_site.auth_atom_id |
|
|
_atom_site.pdbx_PDB_model_num |
|
|
ATOM 1 N N . GLU A 1 3 ? 21.345 23.186 19.281 1.00 40.58 ? 3 GLU A N 1 |
|
|
ATOM 2 C CA . GLU A 1 3 ? 21.763 23.360 20.702 1.00 39.28 ? 3 GLU A CA 1 |
|
|
ATOM 3 C C . GLU A 1 3 ? 22.290 22.034 21.238 1.00 36.12 ? 3 GLU A C 1 |
|
|
ATOM 4 O O . GLU A 1 3 ? 21.547 21.053 21.341 1.00 34.69 ? 3 GLU A O 1 |
|
|
ATOM 5 C CB . GLU A 1 3 ? 20.574 23.829 21.544 1.00 43.29 ? 3 GLU A CB 1 |
|
|
ATOM 6 C CG . GLU A 1 3 ? 20.929 24.248 22.961 1.00 47.70 ? 3 GLU A CG 1 |
|
|
ATOM 7 C CD . GLU A 1 3 ? 21.855 25.450 23.005 1.00 51.18 ? 3 GLU A CD 1 |
|
|
ATOM 8 O OE1 . GLU A 1 3 ? 23.016 25.333 22.555 1.00 53.19 ? 3 GLU A OE1 1 |
|
|
ATOM 9 O OE2 . GLU A 1 3 ? 21.417 26.516 23.491 1.00 53.34 ? 3 GLU A OE2 1 |
|
|
ATOM 10 N N . THR A 1 4 ? 23.577 22.006 21.570 1.00 32.31 ? 4 THR A N 1 |
|
|
ATOM 11 C CA . THR A 1 4 ? 24.198 20.790 22.081 1.00 28.03 ? 4 THR A CA 1 |
|
|
ATOM 12 C C . THR A 1 4 ? 24.819 21.025 23.459 1.00 25.42 ? 4 THR A C 1 |
|
|
ATOM 13 O O . THR A 1 4 ? 24.815 22.142 23.979 1.00 24.26 ? 4 THR A O 1 |
|
|
ATOM 14 C CB . THR A 1 4 ? 25.302 20.275 21.124 1.00 27.05 ? 4 THR A CB 1 |
|
|
ATOM 15 O OG1 . THR A 1 4 ? 26.390 21.207 21.103 1.00 30.04 ? 4 THR A OG1 1 |
|
|
ATOM 16 C CG2 . THR A 1 4 ? 24.759 20.119 19.705 1.00 30.38 ? 4 THR A CG2 1 |
|
|
ATOM 17 N N . LEU A 1 5 ? 25.352 19.960 24.043 1.00 23.00 ? 5 LEU A N 1 |
|
|
ATOM 18 C CA . LEU A 1 5 ? 25.973 20.038 25.363 1.00 20.75 ? 5 LEU A CA 1 |
|
|
ATOM 19 C C . LEU A 1 5 ? 27.440 19.652 25.278 1.00 21.04 ? 5 LEU A C 1 |
|
|
ATOM 20 O O . LEU A 1 5 ? 27.760 18.511 24.968 1.00 19.87 ? 5 LEU A O 1 |
|
|
ATOM 21 C CB . LEU A 1 5 ? 25.267 19.090 26.330 1.00 22.80 ? 5 LEU A CB 1 |
|
|
ATOM 22 C CG . LEU A 1 5 ? 23.833 19.428 26.732 1.00 23.29 ? 5 LEU A CG 1 |
|
|
ATOM 23 C CD1 . LEU A 1 5 ? 23.208 18.236 27.457 1.00 23.30 ? 5 LEU A CD1 1 |
|
|
ATOM 24 C CD2 . LEU A 1 5 ? 23.837 20.660 27.606 1.00 23.89 ? 5 LEU A CD2 1 |
|
|
ATOM 25 N N . CYS A 1 6 ? 28.325 20.596 25.571 1.00 22.34 ? 6 CYS A N 1 |
|
|
ATOM 26 C CA . CYS A 1 6 ? 29.754 20.318 25.518 1.00 23.49 ? 6 CYS A CA 1 |
|
|
ATOM 27 C C . CYS A 1 6 ? 30.466 20.794 26.775 1.00 21.36 ? 6 CYS A C 1 |
|
|
ATOM 28 O O . CYS A 1 6 ? 29.958 21.639 27.503 1.00 21.75 ? 6 CYS A O 1 |
|
|
ATOM 29 C CB . CYS A 1 6 ? 30.390 21.014 24.318 1.00 25.95 ? 6 CYS A CB 1 |
|
|
ATOM 30 S SG . CYS A 1 6 ? 29.722 20.565 22.681 1.00 32.41 ? 6 CYS A SG 1 |
|
|
ATOM 31 N N . GLY A 1 7 ? 31.653 20.245 27.012 1.00 22.02 ? 7 GLY A N 1 |
|
|
ATOM 32 C CA . GLY A 1 7 ? 32.445 20.648 28.160 1.00 21.33 ? 7 GLY A CA 1 |
|
|
ATOM 33 C C . GLY A 1 7 ? 31.727 20.660 29.494 1.00 19.79 ? 7 GLY A C 1 |
|
|
ATOM 34 O O . GLY A 1 7 ? 31.070 19.688 29.858 1.00 19.16 ? 7 GLY A O 1 |
|
|
ATOM 35 N N . ALA A 1 8 ? 31.859 21.763 30.227 1.00 18.95 ? 8 ALA A N 1 |
|
|
ATOM 36 C CA . ALA A 1 8 ? 31.240 21.895 31.539 1.00 19.05 ? 8 ALA A CA 1 |
|
|
ATOM 37 C C . ALA A 1 8 ? 29.720 21.775 31.502 1.00 19.49 ? 8 ALA A C 1 |
|
|
ATOM 38 O O . ALA A 1 8 ? 29.117 21.255 32.440 1.00 17.58 ? 8 ALA A O 1 |
|
|
ATOM 39 C CB . ALA A 1 8 ? 31.636 23.226 32.172 1.00 21.91 ? 8 ALA A CB 1 |
|
|
ATOM 40 N N . GLU A 1 9 ? 29.103 22.272 30.432 1.00 19.90 ? 9 GLU A N 1 |
|
|
ATOM 41 C CA . GLU A 1 9 ? 27.648 22.195 30.309 1.00 22.32 ? 9 GLU A CA 1 |
|
|
ATOM 42 C C . GLU A 1 9 ? 27.196 20.741 30.267 1.00 20.10 ? 9 GLU A C 1 |
|
|
ATOM 43 O O . GLU A 1 9 ? 26.156 20.387 30.827 1.00 18.44 ? 9 GLU A O 1 |
|
|
ATOM 44 C CB . GLU A 1 9 ? 27.170 22.921 29.044 1.00 23.26 ? 9 GLU A CB 1 |
|
|
ATOM 45 C CG . GLU A 1 9 ? 27.153 24.436 29.162 1.00 33.59 ? 9 GLU A CG 1 |
|
|
ATOM 46 C CD . GLU A 1 9 ? 26.747 25.128 27.865 1.00 40.51 ? 9 GLU A CD 1 |
|
|
ATOM 47 O OE1 . GLU A 1 9 ? 25.691 24.772 27.288 1.00 41.76 ? 9 GLU A OE1 1 |
|
|
ATOM 48 O OE2 . GLU A 1 9 ? 27.486 26.037 27.427 1.00 46.41 ? 9 GLU A OE2 1 |
|
|
ATOM 49 N N . LEU A 1 10 ? 27.988 19.906 29.601 1.00 18.27 ? 10 LEU A N 1 |
|
|
ATOM 50 C CA . LEU A 1 10 ? 27.688 18.489 29.464 1.00 19.45 ? 10 LEU A CA 1 |
|
|
ATOM 51 C C . LEU A 1 10 ? 27.833 17.797 30.805 1.00 18.61 ? 10 LEU A C 1 |
|
|
ATOM 52 O O . LEU A 1 10 ? 27.012 16.967 31.162 1.00 18.14 ? 10 LEU A O 1 |
|
|
ATOM 53 C CB . LEU A 1 10 ? 28.625 17.834 28.439 1.00 17.40 ? 10 LEU A CB 1 |
|
|
ATOM 54 C CG . LEU A 1 10 ? 28.493 16.318 28.247 1.00 17.55 ? 10 LEU A CG 1 |
|
|
ATOM 55 C CD1 . LEU A 1 10 ? 27.070 15.981 27.806 1.00 19.10 ? 10 LEU A CD1 1 |
|
|
ATOM 56 C CD2 . LEU A 1 10 ? 29.503 15.836 27.210 1.00 20.59 ? 10 LEU A CD2 1 |
|
|
ATOM 57 N N . VAL A 1 11 ? 28.881 18.145 31.544 1.00 18.70 ? 11 VAL A N 1 |
|
|
ATOM 58 C CA . VAL A 1 11 ? 29.112 17.550 32.852 1.00 16.93 ? 11 VAL A CA 1 |
|
|
ATOM 59 C C . VAL A 1 11 ? 28.022 17.975 33.830 1.00 16.76 ? 11 VAL A C 1 |
|
|
ATOM 60 O O . VAL A 1 11 ? 27.551 17.152 34.623 1.00 15.91 ? 11 VAL A O 1 |
|
|
ATOM 61 C CB . VAL A 1 11 ? 30.497 17.947 33.409 1.00 18.06 ? 11 VAL A CB 1 |
|
|
ATOM 62 C CG1 . VAL A 1 11 ? 30.688 17.361 34.802 1.00 18.45 ? 11 VAL A CG1 1 |
|
|
ATOM 63 C CG2 . VAL A 1 11 ? 31.590 17.425 32.478 1.00 19.40 ? 11 VAL A CG2 1 |
|
|
ATOM 64 N N . ASP A 1 12 ? 27.617 19.246 33.773 1.00 17.21 ? 12 ASP A N 1 |
|
|
ATOM 65 C CA . ASP A 1 12 ? 26.545 19.750 34.644 1.00 18.82 ? 12 ASP A CA 1 |
|
|
ATOM 66 C C . ASP A 1 12 ? 25.275 18.943 34.378 1.00 17.00 ? 12 ASP A C 1 |
|
|
ATOM 67 O O . ASP A 1 12 ? 24.578 18.538 35.304 1.00 16.81 ? 12 ASP A O 1 |
|
|
ATOM 68 C CB . ASP A 1 12 ? 26.199 21.225 34.361 1.00 20.21 ? 12 ASP A CB 1 |
|
|
ATOM 69 C CG . ASP A 1 12 ? 27.135 22.216 35.041 1.00 28.80 ? 12 ASP A CG 1 |
|
|
ATOM 70 O OD1 . ASP A 1 12 ? 27.539 21.989 36.197 1.00 30.36 ? 12 ASP A OD1 1 |
|
|
ATOM 71 O OD2 . ASP A 1 12 ? 27.433 23.256 34.416 1.00 32.22 ? 12 ASP A OD2 1 |
|
|
ATOM 72 N N . ALA A 1 13 ? 24.965 18.729 33.104 1.00 17.79 ? 13 ALA A N 1 |
|
|
ATOM 73 C CA . ALA A 1 13 ? 23.758 17.986 32.739 1.00 16.89 ? 13 ALA A CA 1 |
|
|
ATOM 74 C C . ALA A 1 13 ? 23.801 16.566 33.268 1.00 14.97 ? 13 ALA A C 1 |
|
|
ATOM 75 O O . ALA A 1 13 ? 22.814 16.064 33.792 1.00 17.49 ? 13 ALA A O 1 |
|
|
ATOM 76 C CB . ALA A 1 13 ? 23.572 17.971 31.210 1.00 14.93 ? 13 ALA A CB 1 |
|
|
ATOM 77 N N . LEU A 1 14 ? 24.949 15.913 33.134 1.00 15.67 ? 14 LEU A N 1 |
|
|
ATOM 78 C CA . LEU A 1 14 ? 25.086 14.548 33.618 1.00 18.93 ? 14 LEU A CA 1 |
|
|
ATOM 79 C C . LEU A 1 14 ? 24.970 14.472 35.133 1.00 18.34 ? 14 LEU A C 1 |
|
|
ATOM 80 O O . LEU A 1 14 ? 24.328 13.566 35.662 1.00 20.26 ? 14 LEU A O 1 |
|
|
ATOM 81 C CB . LEU A 1 14 ? 26.422 13.961 33.171 1.00 18.87 ? 14 LEU A CB 1 |
|
|
ATOM 82 C CG . LEU A 1 14 ? 26.467 13.635 31.678 1.00 21.41 ? 14 LEU A CG 1 |
|
|
ATOM 83 C CD1 . LEU A 1 14 ? 27.904 13.344 31.265 1.00 21.95 ? 14 LEU A CD1 1 |
|
|
ATOM 84 C CD2 . LEU A 1 14 ? 25.559 12.447 31.384 1.00 23.31 ? 14 LEU A CD2 1 |
|
|
ATOM 85 N N . GLN A 1 15 ? 25.599 15.408 35.835 1.00 18.83 ? 15 GLN A N 1 |
|
|
ATOM 86 C CA . GLN A 1 15 ? 25.530 15.394 37.296 1.00 20.82 ? 15 GLN A CA 1 |
|
|
ATOM 87 C C . GLN A 1 15 ? 24.092 15.594 37.756 1.00 20.67 ? 15 GLN A C 1 |
|
|
ATOM 88 O O . GLN A 1 15 ? 23.660 15.000 38.737 1.00 21.67 ? 15 GLN A O 1 |
|
|
ATOM 89 C CB . GLN A 1 15 ? 26.433 16.479 37.902 1.00 23.04 ? 15 GLN A CB 1 |
|
|
ATOM 90 C CG . GLN A 1 15 ? 27.904 16.332 37.526 1.00 27.53 ? 15 GLN A CG 1 |
|
|
ATOM 91 C CD . GLN A 1 15 ? 28.806 17.317 38.255 1.00 32.52 ? 15 GLN A CD 1 |
|
|
ATOM 92 O OE1 . GLN A 1 15 ? 29.329 17.021 39.327 1.00 37.34 ? 15 GLN A OE1 1 |
|
|
ATOM 93 N NE2 . GLN A 1 15 ? 28.984 18.495 37.677 1.00 34.41 ? 15 GLN A NE2 1 |
|
|
ATOM 94 N N . PHE A 1 16 ? 23.345 16.425 37.042 1.00 21.19 ? 16 PHE A N 1 |
|
|
ATOM 95 C CA . PHE A 1 16 ? 21.957 16.675 37.412 1.00 20.83 ? 16 PHE A CA 1 |
|
|
ATOM 96 C C . PHE A 1 16 ? 21.060 15.477 37.109 1.00 21.49 ? 16 PHE A C 1 |
|
|
ATOM 97 O O . PHE A 1 16 ? 20.275 15.039 37.960 1.00 21.46 ? 16 PHE A O 1 |
|
|
ATOM 98 C CB . PHE A 1 16 ? 21.413 17.895 36.672 1.00 21.79 ? 16 PHE A CB 1 |
|
|
ATOM 99 C CG . PHE A 1 16 ? 20.010 18.257 37.071 1.00 23.48 ? 16 PHE A CG 1 |
|
|
ATOM 100 C CD1 . PHE A 1 16 ? 19.769 18.915 38.272 1.00 26.61 ? 16 PHE A CD1 1 |
|
|
ATOM 101 C CD2 . PHE A 1 16 ? 18.927 17.902 36.270 1.00 24.91 ? 16 PHE A CD2 1 |
|
|
ATOM 102 C CE1 . PHE A 1 16 ? 18.464 19.217 38.678 1.00 27.63 ? 16 PHE A CE1 1 |
|
|
ATOM 103 C CE2 . PHE A 1 16 ? 17.617 18.195 36.660 1.00 25.43 ? 16 PHE A CE2 1 |
|
|
ATOM 104 C CZ . PHE A 1 16 ? 17.385 18.856 37.869 1.00 27.34 ? 16 PHE A CZ 1 |
|
|
ATOM 105 N N . VAL A 1 17 ? 21.175 14.948 35.894 1.00 20.63 ? 17 VAL A N 1 |
|
|
ATOM 106 C CA . VAL A 1 17 ? 20.361 13.811 35.478 1.00 22.47 ? 17 VAL A CA 1 |
|
|
ATOM 107 C C . VAL A 1 17 ? 20.721 12.504 36.183 1.00 23.97 ? 17 VAL A C 1 |
|
|
ATOM 108 O O . VAL A 1 17 ? 19.843 11.718 36.548 1.00 24.72 ? 17 VAL A O 1 |
|
|
ATOM 109 C CB . VAL A 1 17 ? 20.462 13.592 33.943 1.00 23.54 ? 17 VAL A CB 1 |
|
|
ATOM 110 C CG1 . VAL A 1 17 ? 19.797 12.278 33.543 1.00 23.66 ? 17 VAL A CG1 1 |
|
|
ATOM 111 C CG2 . VAL A 1 17 ? 19.809 14.749 33.220 1.00 22.83 ? 17 VAL A CG2 1 |
|
|
ATOM 112 N N . CYS A 1 18 ? 22.008 12.269 36.393 1.00 23.54 ? 18 CYS A N 1 |
|
|
ATOM 113 C CA . CYS A 1 18 ? 22.420 11.024 37.020 1.00 26.98 ? 18 CYS A CA 1 |
|
|
ATOM 114 C C . CYS A 1 18 ? 22.367 11.045 38.544 1.00 28.88 ? 18 CYS A C 1 |
|
|
ATOM 115 O O . CYS A 1 18 ? 22.364 9.994 39.186 1.00 28.42 ? 18 CYS A O 1 |
|
|
ATOM 116 C CB . CYS A 1 18 ? 23.819 10.655 36.546 1.00 24.14 ? 18 CYS A CB 1 |
|
|
ATOM 117 S SG . CYS A 1 18 ? 23.954 10.474 34.742 1.00 25.19 ? 18 CYS A SG 1 |
|
|
ATOM 118 N N . GLY A 1 19 ? 22.318 12.240 39.118 1.00 32.48 ? 19 GLY A N 1 |
|
|
ATOM 119 C CA . GLY A 1 19 ? 22.264 12.358 40.563 1.00 36.05 ? 19 GLY A CA 1 |
|
|
ATOM 120 C C . GLY A 1 19 ? 23.499 11.779 41.219 1.00 39.06 ? 19 GLY A C 1 |
|
|
ATOM 121 O O . GLY A 1 19 ? 24.613 12.222 40.945 1.00 40.69 ? 19 GLY A O 1 |
|
|
ATOM 122 N N . ASP A 1 20 ? 23.308 10.778 42.074 1.00 40.39 ? 20 ASP A N 1 |
|
|
ATOM 123 C CA . ASP A 1 20 ? 24.420 10.149 42.779 1.00 41.55 ? 20 ASP A CA 1 |
|
|
ATOM 124 C C . ASP A 1 20 ? 24.964 8.897 42.099 1.00 39.89 ? 20 ASP A C 1 |
|
|
ATOM 125 O O . ASP A 1 20 ? 25.958 8.326 42.546 1.00 39.78 ? 20 ASP A O 1 |
|
|
ATOM 126 C CB . ASP A 1 20 ? 23.998 9.806 44.206 1.00 46.52 ? 20 ASP A CB 1 |
|
|
ATOM 127 C CG . ASP A 1 20 ? 23.478 11.010 44.958 1.00 50.03 ? 20 ASP A CG 1 |
|
|
ATOM 128 O OD1 . ASP A 1 20 ? 24.218 12.012 45.051 1.00 54.04 ? 20 ASP A OD1 1 |
|
|
ATOM 129 O OD2 . ASP A 1 20 ? 22.333 10.955 45.456 1.00 51.23 ? 20 ASP A OD2 1 |
|
|
ATOM 130 N N . ARG A 1 21 ? 24.320 8.474 41.018 1.00 37.36 ? 21 ARG A N 1 |
|
|
ATOM 131 C CA . ARG A 1 21 ? 24.755 7.286 40.295 1.00 36.71 ? 21 ARG A CA 1 |
|
|
ATOM 132 C C . ARG A 1 21 ? 26.133 7.394 39.653 1.00 36.07 ? 21 ARG A C 1 |
|
|
ATOM 133 O O . ARG A 1 21 ? 26.879 6.417 39.611 1.00 38.35 ? 21 ARG A O 1 |
|
|
ATOM 134 C CB . ARG A 1 21 ? 23.742 6.932 39.206 1.00 37.93 ? 21 ARG A CB 1 |
|
|
ATOM 135 C CG . ARG A 1 21 ? 22.478 6.264 39.713 1.00 38.93 ? 21 ARG A CG 1 |
|
|
ATOM 136 C CD . ARG A 1 21 ? 21.509 6.039 38.564 1.00 40.09 ? 21 ARG A CD 1 |
|
|
ATOM 137 N NE . ARG A 1 21 ? 20.983 7.301 38.052 1.00 40.40 ? 21 ARG A NE 1 |
|
|
ATOM 138 C CZ . ARG A 1 21 ? 20.263 7.419 36.940 1.00 40.98 ? 21 ARG A CZ 1 |
|
|
ATOM 139 N NH1 . ARG A 1 21 ? 19.982 6.350 36.209 1.00 37.76 ? 21 ARG A NH1 1 |
|
|
ATOM 140 N NH2 . ARG A 1 21 ? 19.809 8.610 36.566 1.00 41.13 ? 21 ARG A NH2 1 |
|
|
ATOM 141 N N . GLY A 1 22 ? 26.478 8.577 39.163 1.00 33.95 ? 22 GLY A N 1 |
|
|
ATOM 142 C CA . GLY A 1 22 ? 27.755 8.727 38.488 1.00 29.91 ? 22 GLY A CA 1 |
|
|
ATOM 143 C C . GLY A 1 22 ? 27.475 8.526 37.010 1.00 27.04 ? 22 GLY A C 1 |
|
|
ATOM 144 O O . GLY A 1 22 ? 26.378 8.104 36.650 1.00 25.69 ? 22 GLY A O 1 |
|
|
ATOM 145 N N . PHE A 1 23 ? 28.451 8.808 36.154 1.00 22.68 ? 23 PHE A N 1 |
|
|
ATOM 146 C CA . PHE A 1 23 ? 28.249 8.684 34.717 1.00 23.59 ? 23 PHE A CA 1 |
|
|
ATOM 147 C C . PHE A 1 23 ? 29.534 8.346 33.986 1.00 23.23 ? 23 PHE A C 1 |
|
|
ATOM 148 O O . PHE A 1 23 ? 30.624 8.474 34.537 1.00 24.90 ? 23 PHE A O 1 |
|
|
ATOM 149 C CB . PHE A 1 23 ? 27.731 10.011 34.163 1.00 24.18 ? 23 PHE A CB 1 |
|
|
ATOM 150 C CG . PHE A 1 23 ? 28.592 11.189 34.536 1.00 24.77 ? 23 PHE A CG 1 |
|
|
ATOM 151 C CD1 . PHE A 1 23 ? 28.418 11.833 35.757 1.00 27.93 ? 23 PHE A CD1 1 |
|
|
ATOM 152 C CD2 . PHE A 1 23 ? 29.615 11.612 33.696 1.00 24.98 ? 23 PHE A CD2 1 |
|
|
ATOM 153 C CE1 . PHE A 1 23 ? 29.256 12.888 36.142 1.00 28.52 ? 23 PHE A CE1 1 |
|
|
ATOM 154 C CE2 . PHE A 1 23 ? 30.459 12.659 34.064 1.00 27.48 ? 23 PHE A CE2 1 |
|
|
ATOM 155 C CZ . PHE A 1 23 ? 30.280 13.300 35.292 1.00 29.68 ? 23 PHE A CZ 1 |
|
|
ATOM 156 N N . TYR A 1 24 ? 29.402 7.913 32.736 1.00 23.62 ? 24 TYR A N 1 |
|
|
ATOM 157 C CA . TYR A 1 24 ? 30.574 7.625 31.930 1.00 26.49 ? 24 TYR A CA 1 |
|
|
ATOM 158 C C . TYR A 1 24 ? 30.454 8.325 30.591 1.00 26.55 ? 24 TYR A C 1 |
|
|
ATOM 159 O O . TYR A 1 24 ? 29.370 8.763 30.200 1.00 27.51 ? 24 TYR A O 1 |
|
|
ATOM 160 C CB . TYR A 1 24 ? 30.780 6.118 31.710 1.00 32.44 ? 24 TYR A CB 1 |
|
|
ATOM 161 C CG . TYR A 1 24 ? 29.587 5.229 31.951 1.00 33.96 ? 24 TYR A CG 1 |
|
|
ATOM 162 C CD1 . TYR A 1 24 ? 29.450 4.525 33.148 1.00 39.32 ? 24 TYR A CD1 1 |
|
|
ATOM 163 C CD2 . TYR A 1 24 ? 28.619 5.047 30.966 1.00 37.96 ? 24 TYR A CD2 1 |
|
|
ATOM 164 C CE1 . TYR A 1 24 ? 28.380 3.653 33.355 1.00 39.45 ? 24 TYR A CE1 1 |
|
|
ATOM 165 C CE2 . TYR A 1 24 ? 27.545 4.181 31.163 1.00 39.66 ? 24 TYR A CE2 1 |
|
|
ATOM 166 C CZ . TYR A 1 24 ? 27.434 3.488 32.360 1.00 41.60 ? 24 TYR A CZ 1 |
|
|
ATOM 167 O OH . TYR A 1 24 ? 26.380 2.624 32.560 1.00 44.95 ? 24 TYR A OH 1 |
|
|
ATOM 168 N N . PHE A 1 25 ? 31.575 8.454 29.896 1.00 24.85 ? 25 PHE A N 1 |
|
|
ATOM 169 C CA . PHE A 1 25 ? 31.568 9.092 28.595 1.00 26.17 ? 25 PHE A CA 1 |
|
|
ATOM 170 C C . PHE A 1 25 ? 31.387 8.050 27.508 1.00 28.04 ? 25 PHE A C 1 |
|
|
ATOM 171 O O . PHE A 1 25 ? 30.926 8.356 26.413 1.00 25.14 ? 25 PHE A O 1 |
|
|
ATOM 172 C CB . PHE A 1 25 ? 32.859 9.876 28.389 1.00 26.44 ? 25 PHE A CB 1 |
|
|
ATOM 173 C CG . PHE A 1 25 ? 32.945 11.092 29.251 1.00 28.31 ? 25 PHE A CG 1 |
|
|
ATOM 174 C CD1 . PHE A 1 25 ? 33.276 10.985 30.596 1.00 29.24 ? 25 PHE A CD1 1 |
|
|
ATOM 175 C CD2 . PHE A 1 25 ? 32.606 12.335 28.740 1.00 29.24 ? 25 PHE A CD2 1 |
|
|
ATOM 176 C CE1 . PHE A 1 25 ? 33.262 12.105 31.423 1.00 30.62 ? 25 PHE A CE1 1 |
|
|
ATOM 177 C CE2 . PHE A 1 25 ? 32.588 13.461 29.558 1.00 32.10 ? 25 PHE A CE2 1 |
|
|
ATOM 178 C CZ . PHE A 1 25 ? 32.915 13.345 30.900 1.00 31.07 ? 25 PHE A CZ 1 |
|
|
ATOM 179 N N . ASN A 1 26 ? 31.746 6.814 27.833 1.00 29.92 ? 26 ASN A N 1 |
|
|
ATOM 180 C CA . ASN A 1 26 ? 31.617 5.702 26.903 1.00 32.13 ? 26 ASN A CA 1 |
|
|
ATOM 181 C C . ASN A 1 26 ? 31.026 4.521 27.666 1.00 32.29 ? 26 ASN A C 1 |
|
|
ATOM 182 O O . ASN A 1 26 ? 31.501 4.168 28.743 1.00 29.79 ? 26 ASN A O 1 |
|
|
ATOM 183 C CB . ASN A 1 26 ? 32.985 5.330 26.317 1.00 34.82 ? 26 ASN A CB 1 |
|
|
ATOM 184 C CG . ASN A 1 26 ? 33.622 6.477 25.543 1.00 36.75 ? 26 ASN A CG 1 |
|
|
ATOM 185 O OD1 . ASN A 1 26 ? 34.271 7.351 26.120 1.00 40.47 ? 26 ASN A OD1 1 |
|
|
ATOM 186 N ND2 . ASN A 1 26 ? 33.420 6.487 24.232 1.00 37.72 ? 26 ASN A ND2 1 |
|
|
ATOM 187 N N . LYS A 1 27 ? 29.981 3.918 27.112 1.00 34.64 ? 27 LYS A N 1 |
|
|
ATOM 188 C CA . LYS A 1 27 ? 29.329 2.787 27.764 1.00 38.05 ? 27 LYS A CA 1 |
|
|
ATOM 189 C C . LYS A 1 27 ? 30.245 1.569 27.794 1.00 39.00 ? 27 LYS A C 1 |
|
|
ATOM 190 O O . LYS A 1 27 ? 30.727 1.126 26.754 1.00 38.61 ? 27 LYS A O 1 |
|
|
ATOM 191 C CB . LYS A 1 27 ? 28.032 2.442 27.026 1.00 40.32 ? 27 LYS A CB 1 |
|
|
ATOM 192 C CG . LYS A 1 27 ? 27.064 3.609 26.921 1.00 41.22 ? 27 LYS A CG 1 |
|
|
ATOM 193 C CD . LYS A 1 27 ? 25.874 3.277 26.041 1.00 43.57 ? 27 LYS A CD 1 |
|
|
ATOM 194 C CE . LYS A 1 27 ? 24.941 4.471 25.928 1.00 43.55 ? 27 LYS A CE 1 |
|
|
ATOM 195 N NZ . LYS A 1 27 ? 23.815 4.228 24.984 1.00 46.75 ? 27 LYS A NZ 1 |
|
|
ATOM 196 N N . PRO A 1 28 ? 30.503 1.014 28.991 1.00 40.77 ? 28 PRO A N 1 |
|
|
ATOM 197 C CA . PRO A 1 28 ? 31.374 -0.165 29.090 1.00 41.46 ? 28 PRO A CA 1 |
|
|
ATOM 198 C C . PRO A 1 28 ? 30.842 -1.295 28.209 1.00 41.41 ? 28 PRO A C 1 |
|
|
ATOM 199 O O . PRO A 1 28 ? 29.631 -1.425 28.022 1.00 41.34 ? 28 PRO A O 1 |
|
|
ATOM 200 C CB . PRO A 1 28 ? 31.332 -0.504 30.580 1.00 42.12 ? 28 PRO A CB 1 |
|
|
ATOM 201 C CG . PRO A 1 28 ? 29.973 -0.008 31.004 1.00 43.88 ? 28 PRO A CG 1 |
|
|
ATOM 202 C CD . PRO A 1 28 ? 29.887 1.323 30.293 1.00 41.35 ? 28 PRO A CD 1 |
|
|
ATOM 203 N N . THR A 1 29 ? 31.743 -2.105 27.667 1.00 41.02 ? 29 THR A N 1 |
|
|
ATOM 204 C CA . THR A 1 29 ? 31.339 -3.199 26.791 1.00 42.00 ? 29 THR A CA 1 |
|
|
ATOM 205 C C . THR A 1 29 ? 31.029 -4.505 27.525 1.00 40.17 ? 29 THR A C 1 |
|
|
ATOM 206 O O . THR A 1 29 ? 30.170 -5.278 27.095 1.00 38.89 ? 29 THR A O 1 |
|
|
ATOM 207 C CB . THR A 1 29 ? 32.421 -3.479 25.726 1.00 43.18 ? 29 THR A CB 1 |
|
|
ATOM 208 O OG1 . THR A 1 29 ? 33.636 -3.882 26.370 1.00 45.44 ? 29 THR A OG1 1 |
|
|
ATOM 209 C CG2 . THR A 1 29 ? 32.684 -2.229 24.898 1.00 44.24 ? 29 THR A CG2 1 |
|
|
ATOM 210 N N . GLY A 1 30 ? 31.724 -4.747 28.631 1.00 38.89 ? 30 GLY A N 1 |
|
|
ATOM 211 C CA . GLY A 1 30 ? 31.502 -5.971 29.384 1.00 37.18 ? 30 GLY A CA 1 |
|
|
ATOM 212 C C . GLY A 1 30 ? 32.040 -7.188 28.649 1.00 35.73 ? 30 GLY A C 1 |
|
|
ATOM 213 O O . GLY A 1 30 ? 32.323 -7.125 27.452 1.00 35.86 ? 30 GLY A O 1 |
|
|
ATOM 214 N N . TYR A 1 31 ? 32.182 -8.301 29.359 1.00 31.62 ? 31 TYR A N 1 |
|
|
ATOM 215 C CA . TYR A 1 31 ? 32.697 -9.520 28.747 1.00 30.08 ? 31 TYR A CA 1 |
|
|
ATOM 216 C C . TYR A 1 31 ? 31.655 -10.226 27.891 1.00 31.39 ? 31 TYR A C 1 |
|
|
ATOM 217 O O . TYR A 1 31 ? 30.453 -10.080 28.108 1.00 29.43 ? 31 TYR A O 1 |
|
|
ATOM 218 C CB . TYR A 1 31 ? 33.196 -10.490 29.820 1.00 26.76 ? 31 TYR A CB 1 |
|
|
ATOM 219 C CG . TYR A 1 31 ? 34.354 -9.972 30.634 1.00 26.37 ? 31 TYR A CG 1 |
|
|
ATOM 220 C CD1 . TYR A 1 31 ? 34.152 -9.403 31.884 1.00 26.05 ? 31 TYR A CD1 1 |
|
|
ATOM 221 C CD2 . TYR A 1 31 ? 35.656 -10.043 30.148 1.00 27.14 ? 31 TYR A CD2 1 |
|
|
ATOM 222 C CE1 . TYR A 1 31 ? 35.218 -8.913 32.632 1.00 28.48 ? 31 TYR A CE1 1 |
|
|
ATOM 223 C CE2 . TYR A 1 31 ? 36.727 -9.561 30.886 1.00 29.24 ? 31 TYR A CE2 1 |
|
|
ATOM 224 C CZ . TYR A 1 31 ? 36.501 -8.996 32.125 1.00 28.34 ? 31 TYR A CZ 1 |
|
|
ATOM 225 O OH . TYR A 1 31 ? 37.563 -8.513 32.849 1.00 32.75 ? 31 TYR A OH 1 |
|
|
ATOM 226 N N . GLY A 1 32 ? 32.133 -10.991 26.914 1.00 33.05 ? 32 GLY A N 1 |
|
|
ATOM 227 C CA . GLY A 1 32 ? 31.244 -11.739 26.045 1.00 37.43 ? 32 GLY A CA 1 |
|
|
ATOM 228 C C . GLY A 1 32 ? 30.232 -10.918 25.272 1.00 40.27 ? 32 GLY A C 1 |
|
|
ATOM 229 O O . GLY A 1 32 ? 29.151 -11.408 24.950 1.00 40.33 ? 32 GLY A O 1 |
|
|
ATOM 230 N N . SER A 1 33 ? 30.576 -9.673 24.965 1.00 43.22 ? 33 SER A N 1 |
|
|
ATOM 231 C CA . SER A 1 33 ? 29.670 -8.811 24.221 1.00 46.19 ? 33 SER A CA 1 |
|
|
ATOM 232 C C . SER A 1 33 ? 29.694 -9.185 22.743 1.00 48.28 ? 33 SER A C 1 |
|
|
ATOM 233 O O . SER A 1 33 ? 30.669 -9.762 22.252 1.00 48.24 ? 33 SER A O 1 |
|
|
ATOM 234 C CB . SER A 1 33 ? 30.070 -7.345 24.391 1.00 46.55 ? 33 SER A CB 1 |
|
|
ATOM 235 O OG . SER A 1 33 ? 29.165 -6.496 23.709 1.00 49.41 ? 33 SER A OG 1 |
|
|
ATOM 236 N N . SER A 1 34 ? 28.612 -8.861 22.041 1.00 50.05 ? 34 SER A N 1 |
|
|
ATOM 237 C CA . SER A 1 34 ? 28.500 -9.155 20.619 1.00 51.50 ? 34 SER A CA 1 |
|
|
ATOM 238 C C . SER A 1 34 ? 28.018 -7.915 19.876 1.00 52.40 ? 34 SER A C 1 |
|
|
ATOM 239 O O . SER A 1 34 ? 26.906 -7.439 20.107 1.00 52.95 ? 34 SER A O 1 |
|
|
ATOM 240 C CB . SER A 1 34 ? 27.515 -10.304 20.388 1.00 52.60 ? 34 SER A CB 1 |
|
|
ATOM 241 O OG . SER A 1 34 ? 27.928 -11.485 21.055 1.00 53.91 ? 34 SER A OG 1 |
|
|
ATOM 242 N N . THR A 1 41 ? 31.264 4.809 19.593 1.00 44.38 ? 41 THR A N 1 |
|
|
ATOM 243 C CA . THR A 1 41 ? 31.362 6.210 19.986 1.00 43.56 ? 41 THR A CA 1 |
|
|
ATOM 244 C C . THR A 1 41 ? 31.023 6.425 21.459 1.00 40.79 ? 41 THR A C 1 |
|
|
ATOM 245 O O . THR A 1 41 ? 31.002 5.482 22.255 1.00 41.76 ? 41 THR A O 1 |
|
|
ATOM 246 C CB . THR A 1 41 ? 30.419 7.087 19.148 1.00 45.36 ? 41 THR A CB 1 |
|
|
ATOM 247 O OG1 . THR A 1 41 ? 29.089 6.557 19.214 1.00 47.98 ? 41 THR A OG1 1 |
|
|
ATOM 248 C CG2 . THR A 1 41 ? 30.881 7.135 17.702 1.00 46.93 ? 41 THR A CG2 1 |
|
|
ATOM 249 N N . GLY A 1 42 ? 30.760 7.677 21.813 1.00 36.62 ? 42 GLY A N 1 |
|
|
ATOM 250 C CA . GLY A 1 42 ? 30.427 8.001 23.186 1.00 31.50 ? 42 GLY A CA 1 |
|
|
ATOM 251 C C . GLY A 1 42 ? 29.500 9.194 23.275 1.00 26.80 ? 42 GLY A C 1 |
|
|
ATOM 252 O O . GLY A 1 42 ? 28.964 9.650 22.269 1.00 24.51 ? 42 GLY A O 1 |
|
|
ATOM 253 N N . ILE A 1 43 ? 29.322 9.714 24.482 1.00 24.75 ? 43 ILE A N 1 |
|
|
ATOM 254 C CA . ILE A 1 43 ? 28.430 10.848 24.688 1.00 23.99 ? 43 ILE A CA 1 |
|
|
ATOM 255 C C . ILE A 1 43 ? 28.864 12.125 23.981 1.00 23.68 ? 43 ILE A C 1 |
|
|
ATOM 256 O O . ILE A 1 43 ? 28.018 12.926 23.581 1.00 22.52 ? 43 ILE A O 1 |
|
|
ATOM 257 C CB . ILE A 1 43 ? 28.240 11.142 26.196 1.00 23.42 ? 43 ILE A CB 1 |
|
|
ATOM 258 C CG1 . ILE A 1 43 ? 27.074 12.115 26.388 1.00 25.45 ? 43 ILE A CG1 1 |
|
|
ATOM 259 C CG2 . ILE A 1 43 ? 29.521 11.731 26.784 1.00 25.31 ? 43 ILE A CG2 1 |
|
|
ATOM 260 C CD1 . ILE A 1 43 ? 26.673 12.310 27.833 1.00 27.38 ? 43 ILE A CD1 1 |
|
|
ATOM 261 N N . VAL A 1 44 ? 30.168 12.331 23.815 1.00 22.27 ? 44 VAL A N 1 |
|
|
ATOM 262 C CA . VAL A 1 44 ? 30.615 13.537 23.137 1.00 22.92 ? 44 VAL A CA 1 |
|
|
ATOM 263 C C . VAL A 1 44 ? 30.137 13.501 21.684 1.00 22.53 ? 44 VAL A C 1 |
|
|
ATOM 264 O O . VAL A 1 44 ? 29.667 14.503 21.160 1.00 21.49 ? 44 VAL A O 1 |
|
|
ATOM 265 C CB . VAL A 1 44 ? 32.152 13.686 23.173 1.00 25.71 ? 44 VAL A CB 1 |
|
|
ATOM 266 C CG1 . VAL A 1 44 ? 32.571 14.922 22.382 1.00 26.68 ? 44 VAL A CG1 1 |
|
|
ATOM 267 C CG2 . VAL A 1 44 ? 32.630 13.801 24.620 1.00 27.10 ? 44 VAL A CG2 1 |
|
|
ATOM 268 N N . ASP A 1 45 ? 30.243 12.332 21.058 1.00 23.57 ? 45 ASP A N 1 |
|
|
ATOM 269 C CA . ASP A 1 45 ? 29.822 12.141 19.670 1.00 25.68 ? 45 ASP A CA 1 |
|
|
ATOM 270 C C . ASP A 1 45 ? 28.315 12.341 19.528 1.00 25.35 ? 45 ASP A C 1 |
|
|
ATOM 271 O O . ASP A 1 45 ? 27.834 12.990 18.599 1.00 25.08 ? 45 ASP A O 1 |
|
|
ATOM 272 C CB . ASP A 1 45 ? 30.153 10.717 19.211 1.00 28.33 ? 45 ASP A CB 1 |
|
|
ATOM 273 C CG . ASP A 1 45 ? 31.617 10.359 19.399 1.00 33.31 ? 45 ASP A CG 1 |
|
|
ATOM 274 O OD1 . ASP A 1 45 ? 32.421 10.655 18.493 1.00 33.73 ? 45 ASP A OD1 1 |
|
|
ATOM 275 O OD2 . ASP A 1 45 ? 31.964 9.787 20.458 1.00 33.81 ? 45 ASP A OD2 1 |
|
|
ATOM 276 N N . GLU A 1 46 ? 27.577 11.775 20.472 1.00 25.17 ? 46 GLU A N 1 |
|
|
ATOM 277 C CA . GLU A 1 46 ? 26.124 11.817 20.450 1.00 25.18 ? 46 GLU A CA 1 |
|
|
ATOM 278 C C . GLU A 1 46 ? 25.461 13.097 20.946 1.00 25.24 ? 46 GLU A C 1 |
|
|
ATOM 279 O O . GLU A 1 46 ? 24.452 13.525 20.380 1.00 22.77 ? 46 GLU A O 1 |
|
|
ATOM 280 C CB . GLU A 1 46 ? 25.607 10.607 21.238 1.00 27.92 ? 46 GLU A CB 1 |
|
|
ATOM 281 C CG . GLU A 1 46 ? 24.101 10.473 21.364 1.00 32.79 ? 46 GLU A CG 1 |
|
|
ATOM 282 C CD . GLU A 1 46 ? 23.689 9.078 21.804 1.00 33.57 ? 46 GLU A CD 1 |
|
|
ATOM 283 O OE1 . GLU A 1 46 ? 24.427 8.467 22.604 1.00 34.85 ? 46 GLU A OE1 1 |
|
|
ATOM 284 O OE2 . GLU A 1 46 ? 22.626 8.591 21.360 1.00 38.92 ? 46 GLU A OE2 1 |
|
|
ATOM 285 N N . CYS A 1 47 ? 26.043 13.720 21.972 1.00 23.11 ? 47 CYS A N 1 |
|
|
ATOM 286 C CA . CYS A 1 47 ? 25.460 14.911 22.581 1.00 22.91 ? 47 CYS A CA 1 |
|
|
ATOM 287 C C . CYS A 1 47 ? 26.165 16.251 22.458 1.00 22.44 ? 47 CYS A C 1 |
|
|
ATOM 288 O O . CYS A 1 47 ? 25.554 17.285 22.732 1.00 22.24 ? 47 CYS A O 1 |
|
|
ATOM 289 C CB . CYS A 1 47 ? 25.219 14.640 24.065 1.00 24.62 ? 47 CYS A CB 1 |
|
|
ATOM 290 S SG . CYS A 1 47 ? 24.166 13.200 24.416 1.00 27.16 ? 47 CYS A SG 1 |
|
|
ATOM 291 N N . CYS A 1 48 ? 27.441 16.259 22.084 1.00 20.75 ? 48 CYS A N 1 |
|
|
ATOM 292 C CA . CYS A 1 48 ? 28.152 17.528 21.940 1.00 21.81 ? 48 CYS A CA 1 |
|
|
ATOM 293 C C . CYS A 1 48 ? 28.352 17.853 20.460 1.00 23.14 ? 48 CYS A C 1 |
|
|
ATOM 294 O O . CYS A 1 48 ? 28.018 18.941 20.012 1.00 24.19 ? 48 CYS A O 1 |
|
|
ATOM 295 C CB . CYS A 1 48 ? 29.495 17.488 22.682 1.00 24.97 ? 48 CYS A CB 1 |
|
|
ATOM 296 S SG . CYS A 1 48 ? 30.650 18.822 22.208 1.00 26.62 ? 48 CYS A SG 1 |
|
|
ATOM 297 N N . PHE A 1 49 ? 28.879 16.895 19.706 1.00 24.09 ? 49 PHE A N 1 |
|
|
ATOM 298 C CA . PHE A 1 49 ? 29.087 17.072 18.271 1.00 28.23 ? 49 PHE A CA 1 |
|
|
ATOM 299 C C . PHE A 1 49 ? 27.729 17.066 17.585 1.00 28.34 ? 49 PHE A C 1 |
|
|
ATOM 300 O O . PHE A 1 49 ? 27.534 17.698 16.546 1.00 29.11 ? 49 PHE A O 1 |
|
|
ATOM 301 C CB . PHE A 1 49 ? 29.953 15.934 17.732 1.00 26.33 ? 49 PHE A CB 1 |
|
|
ATOM 302 C CG . PHE A 1 49 ? 31.351 15.924 18.290 1.00 29.79 ? 49 PHE A CG 1 |
|
|
ATOM 303 C CD1 . PHE A 1 49 ? 32.075 14.739 18.361 1.00 29.68 ? 49 PHE A CD1 1 |
|
|
ATOM 304 C CD2 . PHE A 1 49 ? 31.945 17.101 18.740 1.00 29.60 ? 49 PHE A CD2 1 |
|
|
ATOM 305 C CE1 . PHE A 1 49 ? 33.371 14.721 18.873 1.00 31.69 ? 49 PHE A CE1 1 |
|
|
ATOM 306 C CE2 . PHE A 1 49 ? 33.245 17.095 19.255 1.00 31.17 ? 49 PHE A CE2 1 |
|
|
ATOM 307 C CZ . PHE A 1 49 ? 33.957 15.903 19.322 1.00 29.97 ? 49 PHE A CZ 1 |
|
|
ATOM 308 N N . ARG A 1 50 ? 26.791 16.340 18.183 1.00 30.00 ? 50 ARG A N 1 |
|
|
ATOM 309 C CA . ARG A 1 50 ? 25.433 16.246 17.669 1.00 30.05 ? 50 ARG A CA 1 |
|
|
ATOM 310 C C . ARG A 1 50 ? 24.488 16.564 18.821 1.00 29.81 ? 50 ARG A C 1 |
|
|
ATOM 311 O O . ARG A 1 50 ? 24.905 16.609 19.980 1.00 27.39 ? 50 ARG A O 1 |
|
|
ATOM 312 C CB . ARG A 1 50 ? 25.160 14.835 17.152 1.00 30.92 ? 50 ARG A CB 1 |
|
|
ATOM 313 C CG . ARG A 1 50 ? 26.121 14.387 16.053 1.00 35.02 ? 50 ARG A CG 1 |
|
|
ATOM 314 C CD . ARG A 1 50 ? 25.747 13.021 15.519 1.00 37.07 ? 50 ARG A CD 1 |
|
|
ATOM 315 N NE . ARG A 1 50 ? 26.569 12.638 14.374 1.00 39.96 ? 50 ARG A NE 1 |
|
|
ATOM 316 C CZ . ARG A 1 50 ? 27.849 12.283 14.448 1.00 41.40 ? 50 ARG A CZ 1 |
|
|
ATOM 317 N NH1 . ARG A 1 50 ? 28.471 12.253 15.622 1.00 39.89 ? 50 ARG A NH1 1 |
|
|
ATOM 318 N NH2 . ARG A 1 50 ? 28.508 11.962 13.341 1.00 39.75 ? 50 ARG A NH2 1 |
|
|
ATOM 319 N N . SER A 1 51 ? 23.222 16.797 18.505 1.00 29.87 ? 51 SER A N 1 |
|
|
ATOM 320 C CA . SER A 1 51 ? 22.242 17.096 19.541 1.00 31.37 ? 51 SER A CA 1 |
|
|
ATOM 321 C C . SER A 1 51 ? 21.575 15.797 19.960 1.00 29.64 ? 51 SER A C 1 |
|
|
ATOM 322 O O . SER A 1 51 ? 21.213 14.976 19.120 1.00 30.88 ? 51 SER A O 1 |
|
|
ATOM 323 C CB . SER A 1 51 ? 21.192 18.080 19.015 1.00 32.94 ? 51 SER A CB 1 |
|
|
ATOM 324 O OG . SER A 1 51 ? 20.610 17.597 17.816 1.00 37.55 ? 51 SER A OG 1 |
|
|
ATOM 325 N N . CYS A 1 52 ? 21.422 15.596 21.263 1.00 28.52 ? 52 CYS A N 1 |
|
|
ATOM 326 C CA . CYS A 1 52 ? 20.791 14.381 21.744 1.00 26.31 ? 52 CYS A CA 1 |
|
|
ATOM 327 C C . CYS A 1 52 ? 19.670 14.760 22.708 1.00 26.88 ? 52 CYS A C 1 |
|
|
ATOM 328 O O . CYS A 1 52 ? 19.685 15.844 23.280 1.00 26.07 ? 52 CYS A O 1 |
|
|
ATOM 329 C CB . CYS A 1 52 ? 21.832 13.473 22.426 1.00 26.56 ? 52 CYS A CB 1 |
|
|
ATOM 330 S SG . CYS A 1 52 ? 22.278 13.907 24.144 1.00 28.95 ? 52 CYS A SG 1 |
|
|
ATOM 331 N N . ASP A 1 53 ? 18.683 13.886 22.869 1.00 28.02 ? 53 ASP A N 1 |
|
|
ATOM 332 C CA . ASP A 1 53 ? 17.586 14.188 23.778 1.00 27.91 ? 53 ASP A CA 1 |
|
|
ATOM 333 C C . ASP A 1 53 ? 17.844 13.595 25.159 1.00 25.38 ? 53 ASP A C 1 |
|
|
ATOM 334 O O . ASP A 1 53 ? 18.759 12.787 25.337 1.00 24.78 ? 53 ASP A O 1 |
|
|
ATOM 335 C CB . ASP A 1 53 ? 16.254 13.679 23.215 1.00 33.12 ? 53 ASP A CB 1 |
|
|
ATOM 336 C CG . ASP A 1 53 ? 16.282 12.206 22.878 1.00 37.43 ? 53 ASP A CG 1 |
|
|
ATOM 337 O OD1 . ASP A 1 53 ? 16.730 11.405 23.722 1.00 40.45 ? 53 ASP A OD1 1 |
|
|
ATOM 338 O OD2 . ASP A 1 53 ? 15.841 11.845 21.765 1.00 43.58 ? 53 ASP A OD2 1 |
|
|
ATOM 339 N N . LEU A 1 54 ? 17.031 13.999 26.130 1.00 23.51 ? 54 LEU A N 1 |
|
|
ATOM 340 C CA . LEU A 1 54 ? 17.172 13.548 27.516 1.00 21.61 ? 54 LEU A CA 1 |
|
|
ATOM 341 C C . LEU A 1 54 ? 17.299 12.032 27.684 1.00 24.44 ? 54 LEU A C 1 |
|
|
ATOM 342 O O . LEU A 1 54 ? 18.137 11.554 28.450 1.00 23.83 ? 54 LEU A O 1 |
|
|
ATOM 343 C CB . LEU A 1 54 ? 15.990 14.063 28.351 1.00 24.06 ? 54 LEU A CB 1 |
|
|
ATOM 344 C CG . LEU A 1 54 ? 16.009 13.745 29.851 1.00 23.03 ? 54 LEU A CG 1 |
|
|
ATOM 345 C CD1 . LEU A 1 54 ? 17.280 14.311 30.477 1.00 23.05 ? 54 LEU A CD1 1 |
|
|
ATOM 346 C CD2 . LEU A 1 54 ? 14.766 14.337 30.519 1.00 21.62 ? 54 LEU A CD2 1 |
|
|
ATOM 347 N N . ARG A 1 55 ? 16.453 11.282 26.983 1.00 25.32 ? 55 ARG A N 1 |
|
|
ATOM 348 C CA . ARG A 1 55 ? 16.472 9.824 27.056 1.00 29.27 ? 55 ARG A CA 1 |
|
|
ATOM 349 C C . ARG A 1 55 ? 17.863 9.270 26.741 1.00 29.08 ? 55 ARG A C 1 |
|
|
ATOM 350 O O . ARG A 1 55 ? 18.388 8.439 27.481 1.00 30.02 ? 55 ARG A O 1 |
|
|
ATOM 351 C CB . ARG A 1 55 ? 15.428 9.252 26.084 1.00 32.36 ? 55 ARG A CB 1 |
|
|
ATOM 352 C CG . ARG A 1 55 ? 15.889 8.069 25.255 1.00 38.90 ? 55 ARG A CG 1 |
|
|
ATOM 353 C CD . ARG A 1 55 ? 14.976 7.878 24.047 1.00 45.72 ? 55 ARG A CD 1 |
|
|
ATOM 354 N NE . ARG A 1 55 ? 15.564 6.999 23.039 1.00 47.82 ? 55 ARG A NE 1 |
|
|
ATOM 355 C CZ . ARG A 1 55 ? 15.107 6.877 21.797 1.00 50.67 ? 55 ARG A CZ 1 |
|
|
ATOM 356 N NH1 . ARG A 1 55 ? 14.051 7.577 21.403 1.00 51.86 ? 55 ARG A NH1 1 |
|
|
ATOM 357 N NH2 . ARG A 1 55 ? 15.713 6.063 20.942 1.00 52.69 ? 55 ARG A NH2 1 |
|
|
ATOM 358 N N . ARG A 1 56 ? 18.459 9.741 25.650 1.00 28.87 ? 56 ARG A N 1 |
|
|
ATOM 359 C CA . ARG A 1 56 ? 19.784 9.280 25.247 1.00 28.25 ? 56 ARG A CA 1 |
|
|
ATOM 360 C C . ARG A 1 56 ? 20.836 9.710 26.261 1.00 26.10 ? 56 ARG A C 1 |
|
|
ATOM 361 O O . ARG A 1 56 ? 21.733 8.943 26.605 1.00 24.59 ? 56 ARG A O 1 |
|
|
ATOM 362 C CB . ARG A 1 56 ? 20.131 9.824 23.864 1.00 32.15 ? 56 ARG A CB 1 |
|
|
ATOM 363 C CG . ARG A 1 56 ? 19.160 9.383 22.777 1.00 36.63 ? 56 ARG A CG 1 |
|
|
ATOM 364 C CD . ARG A 1 56 ? 19.130 7.868 22.640 1.00 41.12 ? 56 ARG A CD 1 |
|
|
ATOM 365 N NE . ARG A 1 56 ? 20.433 7.335 22.246 1.00 45.83 ? 56 ARG A NE 1 |
|
|
ATOM 366 C CZ . ARG A 1 56 ? 20.682 6.048 22.019 1.00 47.14 ? 56 ARG A CZ 1 |
|
|
ATOM 367 N NH1 . ARG A 1 56 ? 19.715 5.143 22.145 1.00 48.10 ? 56 ARG A NH1 1 |
|
|
ATOM 368 N NH2 . ARG A 1 56 ? 21.903 5.663 21.668 1.00 47.14 ? 56 ARG A NH2 1 |
|
|
ATOM 369 N N . LEU A 1 57 ? 20.722 10.937 26.749 1.00 23.77 ? 57 LEU A N 1 |
|
|
ATOM 370 C CA . LEU A 1 57 ? 21.666 11.438 27.737 1.00 24.25 ? 57 LEU A CA 1 |
|
|
ATOM 371 C C . LEU A 1 57 ? 21.681 10.571 28.999 1.00 23.07 ? 57 LEU A C 1 |
|
|
ATOM 372 O O . LEU A 1 57 ? 22.743 10.211 29.503 1.00 22.21 ? 57 LEU A O 1 |
|
|
ATOM 373 C CB . LEU A 1 57 ? 21.313 12.878 28.114 1.00 23.53 ? 57 LEU A CB 1 |
|
|
ATOM 374 C CG . LEU A 1 57 ? 22.196 13.524 29.182 1.00 26.78 ? 57 LEU A CG 1 |
|
|
ATOM 375 C CD1 . LEU A 1 57 ? 23.607 13.680 28.642 1.00 27.05 ? 57 LEU A CD1 1 |
|
|
ATOM 376 C CD2 . LEU A 1 57 ? 21.616 14.880 29.573 1.00 29.06 ? 57 LEU A CD2 1 |
|
|
ATOM 377 N N . GLU A 1 58 ? 20.502 10.221 29.505 1.00 22.38 ? 58 GLU A N 1 |
|
|
ATOM 378 C CA . GLU A 1 58 ? 20.416 9.418 30.720 1.00 23.58 ? 58 GLU A CA 1 |
|
|
ATOM 379 C C . GLU A 1 58 ? 20.997 8.011 30.577 1.00 24.58 ? 58 GLU A C 1 |
|
|
ATOM 380 O O . GLU A 1 58 ? 21.277 7.344 31.571 1.00 25.79 ? 58 GLU A O 1 |
|
|
ATOM 381 C CB . GLU A 1 58 ? 18.962 9.339 31.208 1.00 28.54 ? 58 GLU A CB 1 |
|
|
ATOM 382 C CG . GLU A 1 58 ? 18.846 8.882 32.659 1.00 33.93 ? 58 GLU A CG 1 |
|
|
ATOM 383 C CD . GLU A 1 58 ? 17.432 8.981 33.202 1.00 39.15 ? 58 GLU A CD 1 |
|
|
ATOM 384 O OE1 . GLU A 1 58 ? 17.255 8.853 34.436 1.00 40.04 ? 58 GLU A OE1 1 |
|
|
ATOM 385 O OE2 . GLU A 1 58 ? 16.501 9.186 32.393 1.00 38.91 ? 58 GLU A OE2 1 |
|
|
ATOM 386 N N . MET A 1 59 ? 21.186 7.555 29.344 1.00 23.90 ? 59 MET A N 1 |
|
|
ATOM 387 C CA . MET A 1 59 ? 21.754 6.234 29.129 1.00 25.40 ? 59 MET A CA 1 |
|
|
ATOM 388 C C . MET A 1 59 ? 23.227 6.189 29.535 1.00 23.91 ? 59 MET A C 1 |
|
|
ATOM 389 O O . MET A 1 59 ? 23.813 5.113 29.646 1.00 25.17 ? 59 MET A O 1 |
|
|
ATOM 390 C CB . MET A 1 59 ? 21.588 5.821 27.666 1.00 28.73 ? 59 MET A CB 1 |
|
|
ATOM 391 C CG . MET A 1 59 ? 20.160 5.402 27.336 1.00 32.85 ? 59 MET A CG 1 |
|
|
ATOM 392 S SD . MET A 1 59 ? 19.907 5.058 25.600 1.00 38.83 ? 59 MET A SD 1 |
|
|
ATOM 393 C CE . MET A 1 59 ? 18.099 5.131 25.506 1.00 39.18 ? 59 MET A CE 1 |
|
|
ATOM 394 N N . TYR A 1 60 ? 23.826 7.355 29.768 1.00 22.36 ? 60 TYR A N 1 |
|
|
ATOM 395 C CA . TYR A 1 60 ? 25.226 7.391 30.179 1.00 23.11 ? 60 TYR A CA 1 |
|
|
ATOM 396 C C . TYR A 1 60 ? 25.409 7.413 31.696 1.00 23.97 ? 60 TYR A C 1 |
|
|
ATOM 397 O O . TYR A 1 60 ? 26.525 7.531 32.199 1.00 23.36 ? 60 TYR A O 1 |
|
|
ATOM 398 C CB . TYR A 1 60 ? 25.947 8.570 29.527 1.00 21.55 ? 60 TYR A CB 1 |
|
|
ATOM 399 C CG . TYR A 1 60 ? 26.129 8.384 28.038 1.00 23.06 ? 60 TYR A CG 1 |
|
|
ATOM 400 C CD1 . TYR A 1 60 ? 25.159 8.817 27.134 1.00 24.60 ? 60 TYR A CD1 1 |
|
|
ATOM 401 C CD2 . TYR A 1 60 ? 27.248 7.726 27.536 1.00 24.45 ? 60 TYR A CD2 1 |
|
|
ATOM 402 C CE1 . TYR A 1 60 ? 25.302 8.594 25.759 1.00 27.25 ? 60 TYR A CE1 1 |
|
|
ATOM 403 C CE2 . TYR A 1 60 ? 27.399 7.496 26.171 1.00 25.83 ? 60 TYR A CE2 1 |
|
|
ATOM 404 C CZ . TYR A 1 60 ? 26.425 7.930 25.290 1.00 27.77 ? 60 TYR A CZ 1 |
|
|
ATOM 405 O OH . TYR A 1 60 ? 26.571 7.688 23.943 1.00 29.49 ? 60 TYR A OH 1 |
|
|
ATOM 406 N N . CYS A 1 61 ? 24.308 7.297 32.429 1.00 23.86 ? 61 CYS A N 1 |
|
|
ATOM 407 C CA . CYS A 1 61 ? 24.391 7.255 33.883 1.00 24.88 ? 61 CYS A CA 1 |
|
|
ATOM 408 C C . CYS A 1 61 ? 24.783 5.845 34.311 1.00 27.62 ? 61 CYS A C 1 |
|
|
ATOM 409 O O . CYS A 1 61 ? 24.285 4.867 33.760 1.00 28.37 ? 61 CYS A O 1 |
|
|
ATOM 410 C CB . CYS A 1 61 ? 23.044 7.577 34.517 1.00 24.80 ? 61 CYS A CB 1 |
|
|
ATOM 411 S SG . CYS A 1 61 ? 22.412 9.251 34.251 1.00 27.71 ? 61 CYS A SG 1 |
|
|
ATOM 412 N N . ALA A 1 62 ? 25.666 5.743 35.296 1.00 30.04 ? 62 ALA A N 1 |
|
|
ATOM 413 C CA . ALA A 1 62 ? 26.092 4.445 35.800 1.00 34.38 ? 62 ALA A CA 1 |
|
|
ATOM 414 C C . ALA A 1 62 ? 24.925 3.816 36.562 1.00 38.69 ? 62 ALA A C 1 |
|
|
ATOM 415 O O . ALA A 1 62 ? 23.958 4.498 36.904 1.00 37.54 ? 62 ALA A O 1 |
|
|
ATOM 416 C CB . ALA A 1 62 ? 27.295 4.613 36.720 1.00 34.56 ? 62 ALA A CB 1 |
|
|
ATOM 417 N N . PRO A 1 63 ? 24.996 2.504 36.830 1.00 42.56 ? 63 PRO A N 1 |
|
|
ATOM 418 C CA . PRO A 1 63 ? 23.912 1.834 37.557 1.00 46.12 ? 63 PRO A CA 1 |
|
|
ATOM 419 C C . PRO A 1 63 ? 23.867 2.163 39.053 1.00 49.22 ? 63 PRO A C 1 |
|
|
ATOM 420 O O . PRO A 1 63 ? 24.842 2.663 39.624 1.00 48.94 ? 63 PRO A O 1 |
|
|
ATOM 421 C CB . PRO A 1 63 ? 24.189 0.356 37.293 1.00 46.03 ? 63 PRO A CB 1 |
|
|
ATOM 422 C CG . PRO A 1 63 ? 25.691 0.314 37.226 1.00 45.18 ? 63 PRO A CG 1 |
|
|
ATOM 423 C CD . PRO A 1 63 ? 26.011 1.532 36.381 1.00 44.25 ? 63 PRO A CD 1 |
|
|
ATOM 424 N N . LEU A 1 64 ? 22.726 1.881 39.678 1.00 52.00 ? 64 LEU A N 1 |
|
|
ATOM 425 C CA . LEU A 1 64 ? 22.545 2.129 41.105 1.00 54.03 ? 64 LEU A CA 1 |
|
|
ATOM 426 C C . LEU A 1 64 ? 23.271 1.054 41.913 1.00 55.37 ? 64 LEU A C 1 |
|
|
ATOM 427 O O . LEU A 1 64 ? 22.604 0.370 42.718 1.00 56.59 ? 64 LEU A O 1 |
|
|
ATOM 428 C CB . LEU A 1 64 ? 21.056 2.117 41.472 1.00 54.86 ? 64 LEU A CB 1 |
|
|
ATOM 429 C CG . LEU A 1 64 ? 20.109 3.091 40.763 1.00 55.90 ? 64 LEU A CG 1 |
|
|
ATOM 430 C CD1 . LEU A 1 64 ? 19.928 2.679 39.310 1.00 56.40 ? 64 LEU A CD1 1 |
|
|
ATOM 431 C CD2 . LEU A 1 64 ? 18.766 3.096 41.472 1.00 56.33 ? 64 LEU A CD2 1 |
|
|
HETATM 432 BR BR . BR B 2 . ? 34.077 6.613 30.448 0.70 41.70 ? 201 BR A BR 1 |
|
|
HETATM 433 C C1 . CPQ C 3 . ? 18.400 21.185 25.754 1.00 28.06 ? 101 CPQ A C1 1 |
|
|
HETATM 434 C C2 . CPQ C 3 . ? 18.122 20.048 26.833 1.00 26.67 ? 101 CPQ A C2 1 |
|
|
HETATM 435 C C3 . CPQ C 3 . ? 18.937 21.681 28.880 1.00 21.57 ? 101 CPQ A C3 1 |
|
|
HETATM 436 C C4 . CPQ C 3 . ? 19.781 21.816 30.049 1.00 23.11 ? 101 CPQ A C4 1 |
|
|
HETATM 437 C C5 . CPQ C 3 . ? 19.518 20.682 31.157 1.00 23.33 ? 101 CPQ A C5 1 |
|
|
HETATM 438 C C6 . CPQ C 3 . ? 19.699 19.217 30.471 1.00 23.82 ? 101 CPQ A C6 1 |
|
|
HETATM 439 C C7 . CPQ C 3 . ? 19.525 18.176 31.593 1.00 24.43 ? 101 CPQ A C7 1 |
|
|
HETATM 440 C C8 . CPQ C 3 . ? 20.040 18.881 32.823 1.00 22.36 ? 101 CPQ A C8 1 |
|
|
HETATM 441 C C9 . CPQ C 3 . ? 20.473 20.420 32.327 1.00 23.63 ? 101 CPQ A C9 1 |
|
|
HETATM 442 C C10 . CPQ C 3 . ? 17.867 20.975 31.668 1.00 19.96 ? 101 CPQ A C10 1 |
|
|
HETATM 443 C C11 . CPQ C 3 . ? 16.490 20.251 27.418 1.00 28.55 ? 101 CPQ A C11 1 |
|
|
HETATM 444 C C12 . CPQ C 3 . ? 19.778 21.074 25.200 1.00 28.96 ? 101 CPQ A C12 1 |
|
|
HETATM 445 C C13 . CPQ C 3 . ? 20.028 19.667 24.540 1.00 29.75 ? 101 CPQ A C13 1 |
|
|
HETATM 446 C C14 . CPQ C 3 . ? 19.790 18.526 25.580 1.00 26.78 ? 101 CPQ A C14 1 |
|
|
HETATM 447 C C15 . CPQ C 3 . ? 18.378 18.589 26.159 1.00 28.09 ? 101 CPQ A C15 1 |
|
|
HETATM 448 C C16 . CPQ C 3 . ? 18.113 17.451 27.215 1.00 25.88 ? 101 CPQ A C16 1 |
|
|
HETATM 449 C C17 . CPQ C 3 . ? 18.969 17.607 28.469 1.00 27.61 ? 101 CPQ A C17 1 |
|
|
HETATM 450 C C18 . CPQ C 3 . ? 18.803 19.061 29.193 1.00 24.49 ? 101 CPQ A C18 1 |
|
|
HETATM 451 C C19 . CPQ C 3 . ? 19.111 20.211 28.177 1.00 25.57 ? 101 CPQ A C19 1 |
|
|
HETATM 452 C C20 . CPQ C 3 . ? 20.366 21.329 33.521 1.00 24.90 ? 101 CPQ A C20 1 |
|
|
HETATM 453 C C21 . CPQ C 3 . ? 20.712 22.953 33.141 1.00 24.16 ? 101 CPQ A C21 1 |
|
|
HETATM 454 C C22 . CPQ C 3 . ? 21.468 20.812 34.639 1.00 30.79 ? 101 CPQ A C22 1 |
|
|
HETATM 455 C C23 . CPQ C 3 . ? 21.578 21.517 35.992 1.00 38.89 ? 101 CPQ A C23 1 |
|
|
HETATM 456 O O2 . CPQ C 3 . ? 21.384 19.554 24.009 1.00 28.45 ? 101 CPQ A O2 1 |
|
|
HETATM 457 O O4 . CPQ C 3 . ? 21.198 21.685 29.535 1.00 20.23 ? 101 CPQ A O4 1 |
|
|
HETATM 458 C C57 . CPQ C 3 . ? 22.259 22.908 36.239 1.00 44.16 ? 101 CPQ A C57 1 |
|
|
HETATM 459 N N59 . CPQ C 3 . ? 22.409 23.597 37.394 1.00 49.08 ? 101 CPQ A N59 1 |
|
|
HETATM 460 C C74 . CPQ C 3 . ? 23.141 24.973 37.251 1.00 53.60 ? 101 CPQ A C74 1 |
|
|
HETATM 461 C C75 . CPQ C 3 . ? 22.955 26.121 38.447 1.00 57.29 ? 101 CPQ A C75 1 |
|
|
HETATM 462 C C76 . CPQ C 3 . ? 23.766 27.417 38.011 1.00 60.68 ? 101 CPQ A C76 1 |
|
|
HETATM 463 N N77 . CPQ C 3 . ? 24.229 27.978 39.314 1.00 64.40 ? 101 CPQ A N77 1 |
|
|
HETATM 464 C C78 . CPQ C 3 . ? 24.071 29.322 39.739 1.00 66.31 ? 101 CPQ A C78 1 |
|
|
HETATM 465 C C80 . CPQ C 3 . ? 24.665 29.654 41.114 1.00 66.35 ? 101 CPQ A C80 1 |
|
|
HETATM 466 O O86 . CPQ C 3 . ? 25.276 28.443 41.697 1.00 67.98 ? 101 CPQ A O86 1 |
|
|
HETATM 467 C C81 . CPQ C 3 . ? 23.460 30.334 42.015 0.00 65.48 ? 101 CPQ A C81 1 |
|
|
HETATM 468 O O87 . CPQ C 3 . ? 22.219 29.500 42.175 0.00 65.27 ? 101 CPQ A O87 1 |
|
|
HETATM 469 C C82 . CPQ C 3 . ? 24.022 30.734 43.486 0.00 64.70 ? 101 CPQ A C82 1 |
|
|
HETATM 470 O O88 . CPQ C 3 . ? 24.494 29.482 44.133 0.00 64.52 ? 101 CPQ A O88 1 |
|
|
HETATM 471 C C83 . CPQ C 3 . ? 22.892 31.410 44.389 0.00 64.20 ? 101 CPQ A C83 1 |
|
|
HETATM 472 O O89 . CPQ C 3 . ? 22.440 32.656 43.717 0.00 63.98 ? 101 CPQ A O89 1 |
|
|
HETATM 473 C C84 . CPQ C 3 . ? 23.414 31.818 45.851 0.00 63.88 ? 101 CPQ A C84 1 |
|
|
HETATM 474 O O85 . CPQ C 3 . ? 22.381 32.447 46.700 0.00 63.61 ? 101 CPQ A O85 1 |
|
|
HETATM 475 O O79 . CPQ C 3 . ? 23.506 30.211 39.065 1.00 66.55 ? 101 CPQ A O79 1 |
|
|
HETATM 476 C C68 . CPQ C 3 . ? 22.005 23.276 38.743 1.00 52.10 ? 101 CPQ A C68 1 |
|
|
HETATM 477 C C69 . CPQ C 3 . ? 20.452 23.448 39.014 1.00 52.33 ? 101 CPQ A C69 1 |
|
|
HETATM 478 C C70 . CPQ C 3 . ? 20.043 23.145 40.433 1.00 55.63 ? 101 CPQ A C70 1 |
|
|
HETATM 479 N N71 . CPQ C 3 . ? 21.223 22.774 41.226 1.00 59.14 ? 101 CPQ A N71 1 |
|
|
HETATM 480 C C72 . CPQ C 3 . ? 21.224 22.453 42.497 1.00 60.60 ? 101 CPQ A C72 1 |
|
|
HETATM 481 C C90 . CPQ C 3 . ? 22.609 22.529 43.195 1.00 60.41 ? 101 CPQ A C90 1 |
|
|
HETATM 482 O O96 . CPQ C 3 . ? 22.620 21.831 44.454 1.00 60.81 ? 101 CPQ A O96 1 |
|
|
HETATM 483 C C91 . CPQ C 3 . ? 23.040 24.098 43.264 1.00 59.62 ? 101 CPQ A C91 1 |
|
|
HETATM 484 O O97 . CPQ C 3 . ? 21.845 24.989 43.263 1.00 60.01 ? 101 CPQ A O97 1 |
|
|
HETATM 485 C C92 . CPQ C 3 . ? 23.931 24.497 44.593 0.00 59.07 ? 101 CPQ A C92 1 |
|
|
HETATM 486 O O98 . CPQ C 3 . ? 23.701 25.938 44.801 0.00 58.88 ? 101 CPQ A O98 1 |
|
|
HETATM 487 C C93 . CPQ C 3 . ? 25.477 24.179 44.284 0.00 58.59 ? 101 CPQ A C93 1 |
|
|
HETATM 488 O O99 . CPQ C 3 . ? 25.557 22.723 44.119 0.00 58.40 ? 101 CPQ A O99 1 |
|
|
HETATM 489 C C94 . CPQ C 3 . ? 26.546 24.480 45.425 0.00 58.31 ? 101 CPQ A C94 1 |
|
|
HETATM 490 O O95 . CPQ C 3 . ? 27.883 24.110 44.906 0.00 58.06 ? 101 CPQ A O95 1 |
|
|
HETATM 491 O O73 . CPQ C 3 . ? 20.184 22.088 43.105 1.00 61.54 ? 101 CPQ A O73 1 |
|
|
HETATM 492 O O58 . CPQ C 3 . ? 22.694 23.391 35.265 1.00 45.52 ? 101 CPQ A O58 1 |
|
|
HETATM 493 O O . HOH D 4 . ? 19.233 24.775 26.258 1.00 26.52 ? 202 HOH A O 1 |
|
|
HETATM 494 O O . HOH D 4 . ? 23.844 21.902 31.091 1.00 25.18 ? 203 HOH A O 1 |
|
|
HETATM 495 O O . HOH D 4 . ? 21.586 23.586 27.578 1.00 27.61 ? 204 HOH A O 1 |
|
|
HETATM 496 O O . HOH D 4 . ? 24.598 19.907 37.713 1.00 33.98 ? 205 HOH A O 1 |
|
|
HETATM 497 O O . HOH D 4 . ? 30.826 19.432 40.704 1.00 25.98 ? 206 HOH A O 1 |
|
|
HETATM 498 O O . HOH D 4 . ? 16.726 17.213 41.032 1.00 30.65 ? 207 HOH A O 1 |
|
|
HETATM 499 O O . HOH D 4 . ? 32.484 10.355 24.615 1.00 28.25 ? 208 HOH A O 1 |
|
|
HETATM 500 O O . HOH D 4 . ? 18.823 11.545 20.775 1.00 33.86 ? 209 HOH A O 1 |
|
|
HETATM 501 O O . HOH D 4 . ? 27.375 23.380 25.609 1.00 25.50 ? 210 HOH A O 1 |
|
|
HETATM 502 O O . HOH D 4 . ? 29.527 4.350 24.360 1.00 39.07 ? 211 HOH A O 1 |
|
|
HETATM 503 O O . HOH D 4 . ? 24.421 23.879 32.911 1.00 33.11 ? 212 HOH A O 1 |
|
|
HETATM 504 O O . HOH D 4 . ? 17.381 11.511 36.958 1.00 26.00 ? 213 HOH A O 1 |
|
|
HETATM 505 O O . HOH D 4 . ? 22.491 16.933 15.358 1.00 38.40 ? 214 HOH A O 1 |
|
|
HETATM 506 O O . HOH D 4 . ? 22.741 17.594 22.815 1.00 25.10 ? 215 HOH A O 1 |
|
|
HETATM 507 O O . HOH D 4 . ? 22.842 12.388 18.573 1.00 34.15 ? 216 HOH A O 1 |
|
|
HETATM 508 O O . HOH D 4 . ? 20.774 13.960 16.544 1.00 61.49 ? 217 HOH A O 1 |
|
|
HETATM 509 O O . HOH D 4 . ? 33.690 3.285 34.850 1.00 63.42 ? 218 HOH A O 1 |
|
|
HETATM 510 O O . HOH D 4 . ? 29.885 25.101 35.288 1.00 44.79 ? 219 HOH A O 1 |
|
|
HETATM 511 O O . HOH D 4 . ? 26.148 12.070 38.967 1.00 42.71 ? 220 HOH A O 1 |
|
|
HETATM 512 O O . HOH D 4 . ? 22.883 5.713 43.419 1.00 46.03 ? 221 HOH A O 1 |
|
|
HETATM 513 O O . HOH D 4 . ? 20.909 10.476 19.896 1.00 37.89 ? 222 HOH A O 1 |
|
|
HETATM 514 O O . HOH D 4 . ? 27.367 20.489 38.261 1.00 39.77 ? 223 HOH A O 1 |
|
|
HETATM 515 O O . HOH D 4 . ? 21.507 4.554 32.572 1.00 43.65 ? 224 HOH A O 1 |
|
|
HETATM 516 O O . HOH D 4 . ? 35.491 5.055 34.262 1.00 63.47 ? 225 HOH A O 1 |
|
|
HETATM 517 O O . HOH D 4 . ? 28.231 14.158 40.122 1.00 45.08 ? 226 HOH A O 1 |
|
|
HETATM 518 O O . HOH D 4 . ? 20.578 26.000 50.412 1.00 41.51 ? 227 HOH A O 1 |
|
|
HETATM 519 O O . HOH D 4 . ? 22.836 23.748 25.121 1.00 39.96 ? 228 HOH A O 1 |
|
|
HETATM 520 O O . HOH D 4 . ? 16.824 11.652 40.012 1.00 43.26 ? 229 HOH A O 1 |
|
|
HETATM 521 O O . HOH D 4 . ? 13.819 12.315 25.864 1.00 37.09 ? 230 HOH A O 1 |
|
|
HETATM 522 O O . HOH D 4 . ? 18.243 13.480 41.293 1.00 52.12 ? 231 HOH A O 1 |
|
|
HETATM 523 O O . HOH D 4 . ? 16.156 9.550 20.797 1.00 72.09 ? 232 HOH A O 1 |
|
|
HETATM 524 O O . HOH D 4 . ? 33.802 2.892 20.519 1.00 49.11 ? 233 HOH A O 1 |
|
|
HETATM 525 O O . HOH D 4 . ? 20.636 9.378 42.445 1.00 44.01 ? 234 HOH A O 1 |
|
|
HETATM 526 O O . HOH D 4 . ? 17.054 6.358 28.995 1.00 32.29 ? 235 HOH A O 1 |
|
|
HETATM 527 O O . HOH D 4 . ? 17.805 27.198 25.358 1.00 45.50 ? 236 HOH A O 1 |
|
|
HETATM 528 O O . HOH D 4 . ? 22.895 7.011 24.644 1.00 32.58 ? 237 HOH A O 1 |
|
|
HETATM 529 O O . HOH D 4 . ? 33.353 19.907 46.297 1.00 52.88 ? 238 HOH A O 1 |
|
|
HETATM 530 O O . HOH D 4 . ? 19.542 18.349 42.699 1.00 70.96 ? 239 HOH A O 1 |
|
|
HETATM 531 O O . HOH D 4 . ? 26.316 17.514 13.920 1.00 51.26 ? 240 HOH A O 1 |
|
|
HETATM 532 O O . HOH D 4 . ? 19.479 20.986 17.061 1.00 47.48 ? 241 HOH A O 1 |
|
|
HETATM 533 O O . HOH D 4 . ? 30.104 4.930 45.721 1.00 54.57 ? 242 HOH A O 1 |
|
|
HETATM 534 O O . HOH D 4 . ? 18.640 26.687 48.506 1.00 42.18 ? 243 HOH A O 1 |
|
|
HETATM 535 O O . HOH D 4 . ? 23.874 24.715 29.142 1.00 52.80 ? 244 HOH A O 1 |
|
|
HETATM 536 O O . HOH D 4 . ? 28.777 25.529 32.466 1.00 64.12 ? 245 HOH A O 1 |
|
|
HETATM 537 O O . HOH D 4 . ? 19.754 15.805 40.466 1.00 32.06 ? 246 HOH A O 1 |
|
|
HETATM 538 O O . HOH D 4 . ? 17.825 2.217 21.778 1.00 58.22 ? 247 HOH A O 1 |
|
|
HETATM 539 O O . HOH D 4 . ? 14.889 9.381 18.370 1.00 43.11 ? 248 HOH A O 1 |
|
|
|
|
|
|
