data_1TPM
# 
_entry.id   1TPM 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.399 
_audit_conform.dict_location   http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic 
# 
loop_
_database_2.database_id 
_database_2.database_code 
_database_2.pdbx_database_accession 
_database_2.pdbx_DOI 
PDB   1TPM         pdb_00001tpm 10.2210/pdb1tpm/pdb 
WWPDB D_1000176787 ?            ?                   
# 
loop_
_pdbx_audit_revision_history.ordinal 
_pdbx_audit_revision_history.data_content_type 
_pdbx_audit_revision_history.major_revision 
_pdbx_audit_revision_history.minor_revision 
_pdbx_audit_revision_history.revision_date 
1 'Structure model' 1 0 1994-01-31 
2 'Structure model' 1 1 2008-03-24 
3 'Structure model' 1 2 2011-07-13 
4 'Structure model' 1 3 2017-11-29 
5 'Structure model' 1 4 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' 'Derived calculations'      
4 4 'Structure model' Other                       
5 5 'Structure model' 'Data collection'           
6 5 'Structure model' 'Database references'       
7 5 'Structure model' 'Structure summary'         
# 
loop_
_pdbx_audit_revision_category.ordinal 
_pdbx_audit_revision_category.revision_ordinal 
_pdbx_audit_revision_category.data_content_type 
_pdbx_audit_revision_category.category 
1 4 'Structure model' pdbx_database_status      
2 4 'Structure model' pdbx_struct_assembly      
3 4 'Structure model' pdbx_struct_oper_list     
4 4 'Structure model' struct_conf               
5 5 'Structure model' chem_comp_atom            
6 5 'Structure model' chem_comp_bond            
7 5 'Structure model' database_2                
8 5 'Structure model' pdbx_entry_details        
9 5 'Structure model' pdbx_modification_feature 
# 
loop_
_pdbx_audit_revision_item.ordinal 
_pdbx_audit_revision_item.revision_ordinal 
_pdbx_audit_revision_item.data_content_type 
_pdbx_audit_revision_item.item 
1 4 'Structure model' '_pdbx_database_status.process_site'  
2 5 'Structure model' '_database_2.pdbx_DOI'                
3 5 'Structure model' '_database_2.pdbx_database_accession' 
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.entry_id                        1TPM 
_pdbx_database_status.recvd_initial_deposition_date   1993-05-26 
_pdbx_database_status.deposit_site                    ? 
_pdbx_database_status.process_site                    BNL 
_pdbx_database_status.SG_entry                        . 
_pdbx_database_status.pdb_format_compatible           Y 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.status_code_sf                  ? 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.status_code_nmr_data            ? 
# 
_pdbx_database_related.db_name        PDB 
_pdbx_database_related.db_id          1TPN 
_pdbx_database_related.details        . 
_pdbx_database_related.content_type   ensemble 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
'Downing, A.K.'  1 
'Driscoll, P.C.' 2 
'Harvey, T.S.'   3 
'Dudgeon, T.J.'  4 
'Smith, B.O.'    5 
'Baron, M.'      6 
'Campbell, I.D.' 7 
# 
_citation.id                        primary 
_citation.title                     
;Solution structure of the fibrin binding finger domain of tissue-type plasminogen activator determined by 1H nuclear magnetic resonance.
;
_citation.journal_abbrev            J.Mol.Biol. 
_citation.journal_volume            225 
_citation.page_first                821 
_citation.page_last                 833 
_citation.year                      1992 
_citation.journal_id_ASTM           JMOBAK 
_citation.country                   UK 
_citation.journal_id_ISSN           0022-2836 
_citation.journal_id_CSD            0070 
_citation.book_publisher            ? 
_citation.pdbx_database_id_PubMed   1602484 
_citation.pdbx_database_id_DOI      '10.1016/0022-2836(92)90403-7' 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Downing, A.K.'  1 ? 
primary 'Driscoll, P.C.' 2 ? 
primary 'Harvey, T.S.'   3 ? 
primary 'Dudgeon, T.J.'  4 ? 
primary 'Smith, B.O.'    5 ? 
primary 'Baron, M.'      6 ? 
primary 'Campbell, I.D.' 7 ? 
# 
_entity.id                         1 
_entity.type                       polymer 
_entity.src_method                 man 
_entity.pdbx_description           'TISSUE-TYPE PLASMINOGEN ACTIVATOR' 
_entity.formula_weight             6008.854 
_entity.pdbx_number_of_molecules   1 
_entity.pdbx_ec                    ? 
_entity.pdbx_mutation              ? 
_entity.pdbx_fragment              ? 
_entity.details                    ? 
# 
_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       SYQVICRDEKTQMIYQQHQSWLRPVLRSNRVEYCWCNSGRAQCHSVPVKS 
_entity_poly.pdbx_seq_one_letter_code_can   SYQVICRDEKTQMIYQQHQSWLRPVLRSNRVEYCWCNSGRAQCHSVPVKS 
_entity_poly.pdbx_strand_id                 A 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1  SER n 
1 2  TYR n 
1 3  GLN n 
1 4  VAL n 
1 5  ILE n 
1 6  CYS n 
1 7  ARG n 
1 8  ASP n 
1 9  GLU n 
1 10 LYS n 
1 11 THR n 
1 12 GLN n 
1 13 MET n 
1 14 ILE n 
1 15 TYR n 
1 16 GLN n 
1 17 GLN n 
1 18 HIS n 
1 19 GLN n 
1 20 SER n 
1 21 TRP n 
1 22 LEU n 
1 23 ARG n 
1 24 PRO n 
1 25 VAL n 
1 26 LEU n 
1 27 ARG n 
1 28 SER n 
1 29 ASN n 
1 30 ARG n 
1 31 VAL n 
1 32 GLU n 
1 33 TYR n 
1 34 CYS n 
1 35 TRP n 
1 36 CYS n 
1 37 ASN n 
1 38 SER n 
1 39 GLY n 
1 40 ARG n 
1 41 ALA n 
1 42 GLN n 
1 43 CYS n 
1 44 HIS n 
1 45 SER n 
1 46 VAL n 
1 47 PRO n 
1 48 VAL n 
1 49 LYS n 
1 50 SER 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                 ? 
_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      ? 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     ? 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
ALA 'L-peptide linking' y ALANINE         ? 'C3 H7 N O2'     89.093  
ARG 'L-peptide linking' y ARGININE        ? 'C6 H15 N4 O2 1' 175.209 
ASN 'L-peptide linking' y ASPARAGINE      ? 'C4 H8 N2 O3'    132.118 
ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4'     133.103 
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  
HIS 'L-peptide linking' y HISTIDINE       ? 'C6 H10 N3 O2 1' 156.162 
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 
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 
TRP 'L-peptide linking' y TRYPTOPHAN      ? 'C11 H12 N2 O2'  204.225 
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  SER 1  1  1  SER SER A . n 
A 1 2  TYR 2  2  2  TYR TYR A . n 
A 1 3  GLN 3  3  3  GLN GLN A . n 
A 1 4  VAL 4  4  4  VAL VAL A . n 
A 1 5  ILE 5  5  5  ILE ILE A . n 
A 1 6  CYS 6  6  6  CYS CYS A . n 
A 1 7  ARG 7  7  7  ARG ARG A . n 
A 1 8  ASP 8  8  8  ASP ASP A . n 
A 1 9  GLU 9  9  9  GLU GLU A . n 
A 1 10 LYS 10 10 10 LYS LYS A . n 
A 1 11 THR 11 11 11 THR THR A . n 
A 1 12 GLN 12 12 12 GLN GLN A . n 
A 1 13 MET 13 13 13 MET MET A . n 
A 1 14 ILE 14 14 14 ILE ILE A . n 
A 1 15 TYR 15 15 15 TYR TYR A . n 
A 1 16 GLN 16 16 16 GLN GLN A . n 
A 1 17 GLN 17 17 17 GLN GLN A . n 
A 1 18 HIS 18 18 18 HIS HIS A . n 
A 1 19 GLN 19 19 19 GLN GLN A . n 
A 1 20 SER 20 20 20 SER SER A . n 
A 1 21 TRP 21 21 21 TRP TRP A . n 
A 1 22 LEU 22 22 22 LEU LEU A . n 
A 1 23 ARG 23 23 23 ARG ARG A . n 
A 1 24 PRO 24 24 24 PRO PRO A . n 
A 1 25 VAL 25 25 25 VAL VAL A . n 
A 1 26 LEU 26 26 26 LEU LEU A . n 
A 1 27 ARG 27 27 27 ARG ARG A . n 
A 1 28 SER 28 28 28 SER SER A . n 
A 1 29 ASN 29 29 29 ASN ASN A . n 
A 1 30 ARG 30 30 30 ARG ARG A . n 
A 1 31 VAL 31 31 31 VAL VAL A . n 
A 1 32 GLU 32 32 32 GLU GLU A . n 
A 1 33 TYR 33 33 33 TYR TYR A . n 
A 1 34 CYS 34 34 34 CYS CYS A . n 
A 1 35 TRP 35 35 35 TRP TRP A . n 
A 1 36 CYS 36 36 36 CYS CYS A . n 
A 1 37 ASN 37 37 37 ASN ASN A . n 
A 1 38 SER 38 38 38 SER SER A . n 
A 1 39 GLY 39 39 39 GLY GLY A . n 
A 1 40 ARG 40 40 40 ARG ARG A . n 
A 1 41 ALA 41 41 41 ALA ALA A . n 
A 1 42 GLN 42 42 42 GLN GLN A . n 
A 1 43 CYS 43 43 43 CYS CYS A . n 
A 1 44 HIS 44 44 44 HIS HIS A . n 
A 1 45 SER 45 45 45 SER SER A . n 
A 1 46 VAL 46 46 46 VAL VAL A . n 
A 1 47 PRO 47 47 47 PRO PRO A . n 
A 1 48 VAL 48 48 48 VAL VAL A . n 
A 1 49 LYS 49 49 49 LYS LYS A . n 
A 1 50 SER 50 50 50 SER SER A . n 
# 
loop_
_software.name 
_software.classification 
_software.version 
_software.citation_id 
_software.pdbx_ordinal 
X-PLOR 'model building' . ? 1 
X-PLOR refinement       . ? 2 
X-PLOR phasing          . ? 3 
# 
_cell.entry_id           1TPM 
_cell.length_a           1.000 
_cell.length_b           1.000 
_cell.length_c           1.000 
_cell.angle_alpha        90.00 
_cell.angle_beta         90.00 
_cell.angle_gamma        90.00 
_cell.Z_PDB              1 
_cell.pdbx_unique_axis   ? 
# 
_symmetry.entry_id                         1TPM 
_symmetry.space_group_name_H-M             'P 1' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                1 
# 
_exptl.entry_id          1TPM 
_exptl.method            'SOLUTION NMR' 
_exptl.crystals_number   ? 
# 
_database_PDB_matrix.entry_id          1TPM 
_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                  1TPM 
_struct.title                     
;SOLUTION STRUCTURE OF THE FIBRIN BINDING FINGER DOMAIN OF TISSUE-TYPE PLASMINOGEN ACTIVATOR DETERMINED BY 1H NUCLEAR MAGNETIC RESONANCE
;
_struct.pdbx_model_details        ? 
_struct.pdbx_CASP_flag            ? 
_struct.pdbx_model_type_details   ? 
# 
_struct_keywords.entry_id        1TPM 
_struct_keywords.pdbx_keywords   'PLASMINOGEN ACTIVATOR' 
_struct_keywords.text            'PLASMINOGEN ACTIVATOR' 
# 
_struct_asym.id                            A 
_struct_asym.pdbx_blank_PDB_chainid_flag   Y 
_struct_asym.pdbx_modified                 N 
_struct_asym.entity_id                     1 
_struct_asym.details                       ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    TPA_HUMAN 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_db_accession          P00750 
_struct_ref.pdbx_align_begin           1 
_struct_ref.pdbx_seq_one_letter_code   
;MDAMKRGLCCVLLLCGAVFVSPSQEIHARFRRGARSYQVICRDEKTQMIYQQHQSWLRPVLRSNRVEYCWCNSGRAQCHS
VPVKSCSEPRCFNGGTCQQALYFSDFVCQCPEGFAGKCCEIDTRATCYEDQGISYRGTWSTAESGAECTNWNSSALAQKP
YSGRRPDAIRLGLGNHNYCRNPDRDSKPWCYVFKAGKYSSEFCSTPACSEGNSDCYFGNGSAYRGTHSLTESGASCLPWN
SMILIGKVYTAQNPSAQALGLGKHNYCRNPDGDAKPWCHVLKNRRLTWEYCDVPSCSTCGLRQYSQPQFRIKGGLFADIA
SHPWQAAIFAKHRRSPGERFLCGGILISSCWILSAAHCFQERFPPHHLTVILGRTYRVVPGEEEQKFEVEKYIVHKEFDD
DTYDNDIALLQLKSDSSRCAQESSVVRTVCLPPADLQLPDWTECELSGYGKHEALSPFYSERLKEAHVRLYPSSRCTSQH
LLNRTVTDNMLCAGDTRSGGPQANLHDACQGDSGGPLVCLNDGRMTLVGIISWGLGCGQKDVPGVYTKVTNYLDWIRDNM
RP
;
_struct_ref.pdbx_db_isoform            ? 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              1TPM 
_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                 50 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             P00750 
_struct_ref_seq.db_align_beg                  36 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  85 
_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       50 
# 
_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 
# 
_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   ? 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
_struct_biol.id   1 
# 
loop_
_struct_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 36 SG ? ? A CYS 6  A CYS 36 1_555 ? ? ? ? ? ? ? 2.020 ? ? 
disulf2 disulf ? ? A CYS 34 SG ? ? ? 1_555 A CYS 43 SG ? ? A CYS 34 A CYS 43 1_555 ? ? ? ? ? ? ? 2.023 ? ? 
# 
_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 36 ? CYS A 6  ? 1_555 CYS A 36 ? 1_555 SG SG . . . None 'Disulfide bridge' 
2 CYS A 34 ? CYS A 43 ? CYS A 34 ? 1_555 CYS A 43 ? 1_555 SG SG . . . None 'Disulfide bridge' 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
B1 ? 2 ? 
B2 ? 3 ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
B1 1 2 ? anti-parallel 
B2 1 2 ? anti-parallel 
B2 2 3 ? anti-parallel 
# 
loop_
_struct_sheet_range.sheet_id 
_struct_sheet_range.id 
_struct_sheet_range.beg_label_comp_id 
_struct_sheet_range.beg_label_asym_id 
_struct_sheet_range.beg_label_seq_id 
_struct_sheet_range.pdbx_beg_PDB_ins_code 
_struct_sheet_range.end_label_comp_id 
_struct_sheet_range.end_label_asym_id 
_struct_sheet_range.end_label_seq_id 
_struct_sheet_range.pdbx_end_PDB_ins_code 
_struct_sheet_range.beg_auth_comp_id 
_struct_sheet_range.beg_auth_asym_id 
_struct_sheet_range.beg_auth_seq_id 
_struct_sheet_range.end_auth_comp_id 
_struct_sheet_range.end_auth_asym_id 
_struct_sheet_range.end_auth_seq_id 
B1 1 CYS A 6  ? ASP A 8  ? CYS A 6  ASP A 8  
B1 2 MET A 13 ? TYR A 15 ? MET A 13 TYR A 15 
B2 1 SER A 20 ? PRO A 24 ? SER A 20 PRO A 24 
B2 2 VAL A 31 ? TRP A 35 ? VAL A 31 TRP A 35 
B2 3 GLN A 42 ? VAL A 46 ? GLN A 42 VAL A 46 
# 
loop_
_pdbx_struct_sheet_hbond.sheet_id 
_pdbx_struct_sheet_hbond.range_id_1 
_pdbx_struct_sheet_hbond.range_id_2 
_pdbx_struct_sheet_hbond.range_1_label_atom_id 
_pdbx_struct_sheet_hbond.range_1_label_comp_id 
_pdbx_struct_sheet_hbond.range_1_label_asym_id 
_pdbx_struct_sheet_hbond.range_1_label_seq_id 
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id 
_pdbx_struct_sheet_hbond.range_2_label_atom_id 
_pdbx_struct_sheet_hbond.range_2_label_comp_id 
_pdbx_struct_sheet_hbond.range_2_label_asym_id 
_pdbx_struct_sheet_hbond.range_2_label_seq_id 
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id 
B1 1 2 O CYS A 6  ? O CYS A 6  N TYR A 15 ? N TYR A 15 
B2 1 2 O ARG A 23 ? O ARG A 23 N GLU A 32 ? N GLU A 32 
B2 2 3 O TRP A 35 ? O TRP A 35 N GLN A 42 ? N GLN A 42 
# 
_pdbx_entry_details.entry_id                   1TPM 
_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_validate_rmsd_bond.id 
_pdbx_validate_rmsd_bond.PDB_model_num 
_pdbx_validate_rmsd_bond.auth_atom_id_1 
_pdbx_validate_rmsd_bond.auth_asym_id_1 
_pdbx_validate_rmsd_bond.auth_comp_id_1 
_pdbx_validate_rmsd_bond.auth_seq_id_1 
_pdbx_validate_rmsd_bond.PDB_ins_code_1 
_pdbx_validate_rmsd_bond.label_alt_id_1 
_pdbx_validate_rmsd_bond.auth_atom_id_2 
_pdbx_validate_rmsd_bond.auth_asym_id_2 
_pdbx_validate_rmsd_bond.auth_comp_id_2 
_pdbx_validate_rmsd_bond.auth_seq_id_2 
_pdbx_validate_rmsd_bond.PDB_ins_code_2 
_pdbx_validate_rmsd_bond.label_alt_id_2 
_pdbx_validate_rmsd_bond.bond_value 
_pdbx_validate_rmsd_bond.bond_target_value 
_pdbx_validate_rmsd_bond.bond_deviation 
_pdbx_validate_rmsd_bond.bond_standard_deviation 
_pdbx_validate_rmsd_bond.linker_flag 
1 1 CG A HIS 18 ? ? ND1 A HIS 18 ? ? 1.248 1.369 -0.121 0.015 N 
2 1 CG A TRP 21 ? ? CD2 A TRP 21 ? ? 1.316 1.432 -0.116 0.017 N 
3 1 CG A TRP 35 ? ? CD2 A TRP 35 ? ? 1.319 1.432 -0.113 0.017 N 
4 1 CG A HIS 44 ? ? ND1 A HIS 44 ? ? 1.250 1.369 -0.119 0.015 N 
# 
loop_
_pdbx_validate_rmsd_angle.id 
_pdbx_validate_rmsd_angle.PDB_model_num 
_pdbx_validate_rmsd_angle.auth_atom_id_1 
_pdbx_validate_rmsd_angle.auth_asym_id_1 
_pdbx_validate_rmsd_angle.auth_comp_id_1 
_pdbx_validate_rmsd_angle.auth_seq_id_1 
_pdbx_validate_rmsd_angle.PDB_ins_code_1 
_pdbx_validate_rmsd_angle.label_alt_id_1 
_pdbx_validate_rmsd_angle.auth_atom_id_2 
_pdbx_validate_rmsd_angle.auth_asym_id_2 
_pdbx_validate_rmsd_angle.auth_comp_id_2 
_pdbx_validate_rmsd_angle.auth_seq_id_2 
_pdbx_validate_rmsd_angle.PDB_ins_code_2 
_pdbx_validate_rmsd_angle.label_alt_id_2 
_pdbx_validate_rmsd_angle.auth_atom_id_3 
_pdbx_validate_rmsd_angle.auth_asym_id_3 
_pdbx_validate_rmsd_angle.auth_comp_id_3 
_pdbx_validate_rmsd_angle.auth_seq_id_3 
_pdbx_validate_rmsd_angle.PDB_ins_code_3 
_pdbx_validate_rmsd_angle.label_alt_id_3 
_pdbx_validate_rmsd_angle.angle_value 
_pdbx_validate_rmsd_angle.angle_target_value 
_pdbx_validate_rmsd_angle.angle_deviation 
_pdbx_validate_rmsd_angle.angle_standard_deviation 
_pdbx_validate_rmsd_angle.linker_flag 
1 1 CG  A TRP 21 ? ? CD1 A TRP 21 ? ? NE1 A TRP 21 ? ? 104.04 110.10 -6.06 1.00 N 
2 1 NE1 A TRP 21 ? ? CE2 A TRP 21 ? ? CZ2 A TRP 21 ? ? 138.90 130.40 8.50  1.10 N 
3 1 NE1 A TRP 21 ? ? CE2 A TRP 21 ? ? CD2 A TRP 21 ? ? 100.31 107.30 -6.99 1.00 N 
4 1 CD1 A TRP 35 ? ? CG  A TRP 35 ? ? CD2 A TRP 35 ? ? 111.15 106.30 4.85  0.80 N 
5 1 CG  A TRP 35 ? ? CD1 A TRP 35 ? ? NE1 A TRP 35 ? ? 103.96 110.10 -6.14 1.00 N 
6 1 NE1 A TRP 35 ? ? CE2 A TRP 35 ? ? CZ2 A TRP 35 ? ? 139.60 130.40 9.20  1.10 N 
7 1 NE1 A TRP 35 ? ? CE2 A TRP 35 ? ? CD2 A TRP 35 ? ? 100.03 107.30 -7.27 1.00 N 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 THR A 11 ? ? -147.28 -9.46   
2 1 GLN A 12 ? ? 72.81   31.68   
3 1 PRO A 24 ? ? -56.60  173.27  
4 1 LEU A 26 ? ? -91.27  -66.91  
5 1 ARG A 27 ? ? -149.33 -17.37  
6 1 SER A 28 ? ? -85.35  -102.56 
7 1 ASN A 29 ? ? -166.64 17.82   
8 1 SER A 38 ? ? -173.07 -20.68  
9 1 ALA A 41 ? ? 48.89   86.20   
# 
loop_
_pdbx_validate_planes.id 
_pdbx_validate_planes.PDB_model_num 
_pdbx_validate_planes.auth_comp_id 
_pdbx_validate_planes.auth_asym_id 
_pdbx_validate_planes.auth_seq_id 
_pdbx_validate_planes.PDB_ins_code 
_pdbx_validate_planes.label_alt_id 
_pdbx_validate_planes.rmsd 
_pdbx_validate_planes.type 
1 1 ARG A 7  ? ? 0.245 'SIDE CHAIN' 
2 1 ARG A 23 ? ? 0.308 'SIDE CHAIN' 
3 1 ARG A 27 ? ? 0.318 'SIDE CHAIN' 
4 1 ARG A 40 ? ? 0.296 'SIDE CHAIN' 
# 
_pdbx_nmr_ensemble.entry_id                             1TPM 
_pdbx_nmr_ensemble.conformers_calculated_total_number   ? 
_pdbx_nmr_ensemble.conformers_submitted_total_number    1 
_pdbx_nmr_ensemble.conformer_selection_criteria         ? 
# 
_pdbx_nmr_software.classification   refinement 
_pdbx_nmr_software.name             X-PLOR 
_pdbx_nmr_software.version          ? 
_pdbx_nmr_software.authors          BRUNGER 
_pdbx_nmr_software.ordinal          1 
# 
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  
CYS N    N N N 74  
CYS CA   C N R 75  
CYS C    C N N 76  
CYS O    O N N 77  
CYS CB   C N N 78  
CYS SG   S N N 79  
CYS OXT  O N N 80  
CYS H    H N N 81  
CYS H2   H N N 82  
CYS HA   H N N 83  
CYS HB2  H N N 84  
CYS HB3  H N N 85  
CYS HG   H N N 86  
CYS HXT  H N N 87  
GLN N    N N N 88  
GLN CA   C N S 89  
GLN C    C N N 90  
GLN O    O N N 91  
GLN CB   C N N 92  
GLN CG   C N N 93  
GLN CD   C N N 94  
GLN OE1  O N N 95  
GLN NE2  N N N 96  
GLN OXT  O N N 97  
GLN H    H N N 98  
GLN H2   H N N 99  
GLN HA   H N N 100 
GLN HB2  H N N 101 
GLN HB3  H N N 102 
GLN HG2  H N N 103 
GLN HG3  H N N 104 
GLN HE21 H N N 105 
GLN HE22 H N N 106 
GLN HXT  H N N 107 
GLU N    N N N 108 
GLU CA   C N S 109 
GLU C    C N N 110 
GLU O    O N N 111 
GLU CB   C N N 112 
GLU CG   C N N 113 
GLU CD   C N N 114 
GLU OE1  O N N 115 
GLU OE2  O N N 116 
GLU OXT  O N N 117 
GLU H    H N N 118 
GLU H2   H N N 119 
GLU HA   H N N 120 
GLU HB2  H N N 121 
GLU HB3  H N N 122 
GLU HG2  H N N 123 
GLU HG3  H N N 124 
GLU HE2  H N N 125 
GLU HXT  H N N 126 
GLY N    N N N 127 
GLY CA   C N N 128 
GLY C    C N N 129 
GLY O    O N N 130 
GLY OXT  O N N 131 
GLY H    H N N 132 
GLY H2   H N N 133 
GLY HA2  H N N 134 
GLY HA3  H N N 135 
GLY HXT  H N N 136 
HIS N    N N N 137 
HIS CA   C N S 138 
HIS C    C N N 139 
HIS O    O N N 140 
HIS CB   C N N 141 
HIS CG   C Y N 142 
HIS ND1  N Y N 143 
HIS CD2  C Y N 144 
HIS CE1  C Y N 145 
HIS NE2  N Y N 146 
HIS OXT  O N N 147 
HIS H    H N N 148 
HIS H2   H N N 149 
HIS HA   H N N 150 
HIS HB2  H N N 151 
HIS HB3  H N N 152 
HIS HD1  H N N 153 
HIS HD2  H N N 154 
HIS HE1  H N N 155 
HIS HE2  H N N 156 
HIS HXT  H N N 157 
ILE N    N N N 158 
ILE CA   C N S 159 
ILE C    C N N 160 
ILE O    O N N 161 
ILE CB   C N S 162 
ILE CG1  C N N 163 
ILE CG2  C N N 164 
ILE CD1  C N N 165 
ILE OXT  O N N 166 
ILE H    H N N 167 
ILE H2   H N N 168 
ILE HA   H N N 169 
ILE HB   H N N 170 
ILE HG12 H N N 171 
ILE HG13 H N N 172 
ILE HG21 H N N 173 
ILE HG22 H N N 174 
ILE HG23 H N N 175 
ILE HD11 H N N 176 
ILE HD12 H N N 177 
ILE HD13 H N N 178 
ILE HXT  H N N 179 
LEU N    N N N 180 
LEU CA   C N S 181 
LEU C    C N N 182 
LEU O    O N N 183 
LEU CB   C N N 184 
LEU CG   C N N 185 
LEU CD1  C N N 186 
LEU CD2  C N N 187 
LEU OXT  O N N 188 
LEU H    H N N 189 
LEU H2   H N N 190 
LEU HA   H N N 191 
LEU HB2  H N N 192 
LEU HB3  H N N 193 
LEU HG   H N N 194 
LEU HD11 H N N 195 
LEU HD12 H N N 196 
LEU HD13 H N N 197 
LEU HD21 H N N 198 
LEU HD22 H N N 199 
LEU HD23 H N N 200 
LEU HXT  H N N 201 
LYS N    N N N 202 
LYS CA   C N S 203 
LYS C    C N N 204 
LYS O    O N N 205 
LYS CB   C N N 206 
LYS CG   C N N 207 
LYS CD   C N N 208 
LYS CE   C N N 209 
LYS NZ   N N N 210 
LYS OXT  O N N 211 
LYS H    H N N 212 
LYS H2   H N N 213 
LYS HA   H N N 214 
LYS HB2  H N N 215 
LYS HB3  H N N 216 
LYS HG2  H N N 217 
LYS HG3  H N N 218 
LYS HD2  H N N 219 
LYS HD3  H N N 220 
LYS HE2  H N N 221 
LYS HE3  H N N 222 
LYS HZ1  H N N 223 
LYS HZ2  H N N 224 
LYS HZ3  H N N 225 
LYS HXT  H N N 226 
MET N    N N N 227 
MET CA   C N S 228 
MET C    C N N 229 
MET O    O N N 230 
MET CB   C N N 231 
MET CG   C N N 232 
MET SD   S N N 233 
MET CE   C N N 234 
MET OXT  O N N 235 
MET H    H N N 236 
MET H2   H N N 237 
MET HA   H N N 238 
MET HB2  H N N 239 
MET HB3  H N N 240 
MET HG2  H N N 241 
MET HG3  H N N 242 
MET HE1  H N N 243 
MET HE2  H N N 244 
MET HE3  H N N 245 
MET HXT  H N N 246 
PRO N    N N N 247 
PRO CA   C N S 248 
PRO C    C N N 249 
PRO O    O N N 250 
PRO CB   C N N 251 
PRO CG   C N N 252 
PRO CD   C N N 253 
PRO OXT  O N N 254 
PRO H    H N N 255 
PRO HA   H N N 256 
PRO HB2  H N N 257 
PRO HB3  H N N 258 
PRO HG2  H N N 259 
PRO HG3  H N N 260 
PRO HD2  H N N 261 
PRO HD3  H N N 262 
PRO HXT  H N N 263 
SER N    N N N 264 
SER CA   C N S 265 
SER C    C N N 266 
SER O    O N N 267 
SER CB   C N N 268 
SER OG   O N N 269 
SER OXT  O N N 270 
SER H    H N N 271 
SER H2   H N N 272 
SER HA   H N N 273 
SER HB2  H N N 274 
SER HB3  H N N 275 
SER HG   H N N 276 
SER HXT  H N N 277 
THR N    N N N 278 
THR CA   C N S 279 
THR C    C N N 280 
THR O    O N N 281 
THR CB   C N R 282 
THR OG1  O N N 283 
THR CG2  C N N 284 
THR OXT  O N N 285 
THR H    H N N 286 
THR H2   H N N 287 
THR HA   H N N 288 
THR HB   H N N 289 
THR HG1  H N N 290 
THR HG21 H N N 291 
THR HG22 H N N 292 
THR HG23 H N N 293 
THR HXT  H N N 294 
TRP N    N N N 295 
TRP CA   C N S 296 
TRP C    C N N 297 
TRP O    O N N 298 
TRP CB   C N N 299 
TRP CG   C Y N 300 
TRP CD1  C Y N 301 
TRP CD2  C Y N 302 
TRP NE1  N Y N 303 
TRP CE2  C Y N 304 
TRP CE3  C Y N 305 
TRP CZ2  C Y N 306 
TRP CZ3  C Y N 307 
TRP CH2  C Y N 308 
TRP OXT  O N N 309 
TRP H    H N N 310 
TRP H2   H N N 311 
TRP HA   H N N 312 
TRP HB2  H N N 313 
TRP HB3  H N N 314 
TRP HD1  H N N 315 
TRP HE1  H N N 316 
TRP HE3  H N N 317 
TRP HZ2  H N N 318 
TRP HZ3  H N N 319 
TRP HH2  H N N 320 
TRP HXT  H N N 321 
TYR N    N N N 322 
TYR CA   C N S 323 
TYR C    C N N 324 
TYR O    O N N 325 
TYR CB   C N N 326 
TYR CG   C Y N 327 
TYR CD1  C Y N 328 
TYR CD2  C Y N 329 
TYR CE1  C Y N 330 
TYR CE2  C Y N 331 
TYR CZ   C Y N 332 
TYR OH   O N N 333 
TYR OXT  O N N 334 
TYR H    H N N 335 
TYR H2   H N N 336 
TYR HA   H N N 337 
TYR HB2  H N N 338 
TYR HB3  H N N 339 
TYR HD1  H N N 340 
TYR HD2  H N N 341 
TYR HE1  H N N 342 
TYR HE2  H N N 343 
TYR HH   H N N 344 
TYR HXT  H N N 345 
VAL N    N N N 346 
VAL CA   C N S 347 
VAL C    C N N 348 
VAL O    O N N 349 
VAL CB   C N N 350 
VAL CG1  C N N 351 
VAL CG2  C N N 352 
VAL OXT  O N N 353 
VAL H    H N N 354 
VAL H2   H N N 355 
VAL HA   H N N 356 
VAL HB   H N N 357 
VAL HG11 H N N 358 
VAL HG12 H N N 359 
VAL HG13 H N N 360 
VAL HG21 H N N 361 
VAL HG22 H N N 362 
VAL HG23 H N N 363 
VAL HXT  H N N 364 
# 
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  
CYS N   CA   sing N N 70  
CYS N   H    sing N N 71  
CYS N   H2   sing N N 72  
CYS CA  C    sing N N 73  
CYS CA  CB   sing N N 74  
CYS CA  HA   sing N N 75  
CYS C   O    doub N N 76  
CYS C   OXT  sing N N 77  
CYS CB  SG   sing N N 78  
CYS CB  HB2  sing N N 79  
CYS CB  HB3  sing N N 80  
CYS SG  HG   sing N N 81  
CYS OXT HXT  sing N N 82  
GLN N   CA   sing N N 83  
GLN N   H    sing N N 84  
GLN N   H2   sing N N 85  
GLN CA  C    sing N N 86  
GLN CA  CB   sing N N 87  
GLN CA  HA   sing N N 88  
GLN C   O    doub N N 89  
GLN C   OXT  sing N N 90  
GLN CB  CG   sing N N 91  
GLN CB  HB2  sing N N 92  
GLN CB  HB3  sing N N 93  
GLN CG  CD   sing N N 94  
GLN CG  HG2  sing N N 95  
GLN CG  HG3  sing N N 96  
GLN CD  OE1  doub N N 97  
GLN CD  NE2  sing N N 98  
GLN NE2 HE21 sing N N 99  
GLN NE2 HE22 sing N N 100 
GLN OXT HXT  sing N N 101 
GLU N   CA   sing N N 102 
GLU N   H    sing N N 103 
GLU N   H2   sing N N 104 
GLU CA  C    sing N N 105 
GLU CA  CB   sing N N 106 
GLU CA  HA   sing N N 107 
GLU C   O    doub N N 108 
GLU C   OXT  sing N N 109 
GLU CB  CG   sing N N 110 
GLU CB  HB2  sing N N 111 
GLU CB  HB3  sing N N 112 
GLU CG  CD   sing N N 113 
GLU CG  HG2  sing N N 114 
GLU CG  HG3  sing N N 115 
GLU CD  OE1  doub N N 116 
GLU CD  OE2  sing N N 117 
GLU OE2 HE2  sing N N 118 
GLU OXT HXT  sing N N 119 
GLY N   CA   sing N N 120 
GLY N   H    sing N N 121 
GLY N   H2   sing N N 122 
GLY CA  C    sing N N 123 
GLY CA  HA2  sing N N 124 
GLY CA  HA3  sing N N 125 
GLY C   O    doub N N 126 
GLY C   OXT  sing N N 127 
GLY OXT HXT  sing N N 128 
HIS N   CA   sing N N 129 
HIS N   H    sing N N 130 
HIS N   H2   sing N N 131 
HIS CA  C    sing N N 132 
HIS CA  CB   sing N N 133 
HIS CA  HA   sing N N 134 
HIS C   O    doub N N 135 
HIS C   OXT  sing N N 136 
HIS CB  CG   sing N N 137 
HIS CB  HB2  sing N N 138 
HIS CB  HB3  sing N N 139 
HIS CG  ND1  sing Y N 140 
HIS CG  CD2  doub Y N 141 
HIS ND1 CE1  doub Y N 142 
HIS ND1 HD1  sing N N 143 
HIS CD2 NE2  sing Y N 144 
HIS CD2 HD2  sing N N 145 
HIS CE1 NE2  sing Y N 146 
HIS CE1 HE1  sing N N 147 
HIS NE2 HE2  sing N N 148 
HIS OXT HXT  sing N N 149 
ILE N   CA   sing N N 150 
ILE N   H    sing N N 151 
ILE N   H2   sing N N 152 
ILE CA  C    sing N N 153 
ILE CA  CB   sing N N 154 
ILE CA  HA   sing N N 155 
ILE C   O    doub N N 156 
ILE C   OXT  sing N N 157 
ILE CB  CG1  sing N N 158 
ILE CB  CG2  sing N N 159 
ILE CB  HB   sing N N 160 
ILE CG1 CD1  sing N N 161 
ILE CG1 HG12 sing N N 162 
ILE CG1 HG13 sing N N 163 
ILE CG2 HG21 sing N N 164 
ILE CG2 HG22 sing N N 165 
ILE CG2 HG23 sing N N 166 
ILE CD1 HD11 sing N N 167 
ILE CD1 HD12 sing N N 168 
ILE CD1 HD13 sing N N 169 
ILE OXT HXT  sing N N 170 
LEU N   CA   sing N N 171 
LEU N   H    sing N N 172 
LEU N   H2   sing N N 173 
LEU CA  C    sing N N 174 
LEU CA  CB   sing N N 175 
LEU CA  HA   sing N N 176 
LEU C   O    doub N N 177 
LEU C   OXT  sing N N 178 
LEU CB  CG   sing N N 179 
LEU CB  HB2  sing N N 180 
LEU CB  HB3  sing N N 181 
LEU CG  CD1  sing N N 182 
LEU CG  CD2  sing N N 183 
LEU CG  HG   sing N N 184 
LEU CD1 HD11 sing N N 185 
LEU CD1 HD12 sing N N 186 
LEU CD1 HD13 sing N N 187 
LEU CD2 HD21 sing N N 188 
LEU CD2 HD22 sing N N 189 
LEU CD2 HD23 sing N N 190 
LEU OXT HXT  sing N N 191 
LYS N   CA   sing N N 192 
LYS N   H    sing N N 193 
LYS N   H2   sing N N 194 
LYS CA  C    sing N N 195 
LYS CA  CB   sing N N 196 
LYS CA  HA   sing N N 197 
LYS C   O    doub N N 198 
LYS C   OXT  sing N N 199 
LYS CB  CG   sing N N 200 
LYS CB  HB2  sing N N 201 
LYS CB  HB3  sing N N 202 
LYS CG  CD   sing N N 203 
LYS CG  HG2  sing N N 204 
LYS CG  HG3  sing N N 205 
LYS CD  CE   sing N N 206 
LYS CD  HD2  sing N N 207 
LYS CD  HD3  sing N N 208 
LYS CE  NZ   sing N N 209 
LYS CE  HE2  sing N N 210 
LYS CE  HE3  sing N N 211 
LYS NZ  HZ1  sing N N 212 
LYS NZ  HZ2  sing N N 213 
LYS NZ  HZ3  sing N N 214 
LYS OXT HXT  sing N N 215 
MET N   CA   sing N N 216 
MET N   H    sing N N 217 
MET N   H2   sing N N 218 
MET CA  C    sing N N 219 
MET CA  CB   sing N N 220 
MET CA  HA   sing N N 221 
MET C   O    doub N N 222 
MET C   OXT  sing N N 223 
MET CB  CG   sing N N 224 
MET CB  HB2  sing N N 225 
MET CB  HB3  sing N N 226 
MET CG  SD   sing N N 227 
MET CG  HG2  sing N N 228 
MET CG  HG3  sing N N 229 
MET SD  CE   sing N N 230 
MET CE  HE1  sing N N 231 
MET CE  HE2  sing N N 232 
MET CE  HE3  sing N N 233 
MET OXT HXT  sing N N 234 
PRO N   CA   sing N N 235 
PRO N   CD   sing N N 236 
PRO N   H    sing N N 237 
PRO CA  C    sing N N 238 
PRO CA  CB   sing N N 239 
PRO CA  HA   sing N N 240 
PRO C   O    doub N N 241 
PRO C   OXT  sing N N 242 
PRO CB  CG   sing N N 243 
PRO CB  HB2  sing N N 244 
PRO CB  HB3  sing N N 245 
PRO CG  CD   sing N N 246 
PRO CG  HG2  sing N N 247 
PRO CG  HG3  sing N N 248 
PRO CD  HD2  sing N N 249 
PRO CD  HD3  sing N N 250 
PRO OXT HXT  sing N N 251 
SER N   CA   sing N N 252 
SER N   H    sing N N 253 
SER N   H2   sing N N 254 
SER CA  C    sing N N 255 
SER CA  CB   sing N N 256 
SER CA  HA   sing N N 257 
SER C   O    doub N N 258 
SER C   OXT  sing N N 259 
SER CB  OG   sing N N 260 
SER CB  HB2  sing N N 261 
SER CB  HB3  sing N N 262 
SER OG  HG   sing N N 263 
SER OXT HXT  sing N N 264 
THR N   CA   sing N N 265 
THR N   H    sing N N 266 
THR N   H2   sing N N 267 
THR CA  C    sing N N 268 
THR CA  CB   sing N N 269 
THR CA  HA   sing N N 270 
THR C   O    doub N N 271 
THR C   OXT  sing N N 272 
THR CB  OG1  sing N N 273 
THR CB  CG2  sing N N 274 
THR CB  HB   sing N N 275 
THR OG1 HG1  sing N N 276 
THR CG2 HG21 sing N N 277 
THR CG2 HG22 sing N N 278 
THR CG2 HG23 sing N N 279 
THR OXT HXT  sing N N 280 
TRP N   CA   sing N N 281 
TRP N   H    sing N N 282 
TRP N   H2   sing N N 283 
TRP CA  C    sing N N 284 
TRP CA  CB   sing N N 285 
TRP CA  HA   sing N N 286 
TRP C   O    doub N N 287 
TRP C   OXT  sing N N 288 
TRP CB  CG   sing N N 289 
TRP CB  HB2  sing N N 290 
TRP CB  HB3  sing N N 291 
TRP CG  CD1  doub Y N 292 
TRP CG  CD2  sing Y N 293 
TRP CD1 NE1  sing Y N 294 
TRP CD1 HD1  sing N N 295 
TRP CD2 CE2  doub Y N 296 
TRP CD2 CE3  sing Y N 297 
TRP NE1 CE2  sing Y N 298 
TRP NE1 HE1  sing N N 299 
TRP CE2 CZ2  sing Y N 300 
TRP CE3 CZ3  doub Y N 301 
TRP CE3 HE3  sing N N 302 
TRP CZ2 CH2  doub Y N 303 
TRP CZ2 HZ2  sing N N 304 
TRP CZ3 CH2  sing Y N 305 
TRP CZ3 HZ3  sing N N 306 
TRP CH2 HH2  sing N N 307 
TRP OXT HXT  sing N N 308 
TYR N   CA   sing N N 309 
TYR N   H    sing N N 310 
TYR N   H2   sing N N 311 
TYR CA  C    sing N N 312 
TYR CA  CB   sing N N 313 
TYR CA  HA   sing N N 314 
TYR C   O    doub N N 315 
TYR C   OXT  sing N N 316 
TYR CB  CG   sing N N 317 
TYR CB  HB2  sing N N 318 
TYR CB  HB3  sing N N 319 
TYR CG  CD1  doub Y N 320 
TYR CG  CD2  sing Y N 321 
TYR CD1 CE1  sing Y N 322 
TYR CD1 HD1  sing N N 323 
TYR CD2 CE2  doub Y N 324 
TYR CD2 HD2  sing N N 325 
TYR CE1 CZ   doub Y N 326 
TYR CE1 HE1  sing N N 327 
TYR CE2 CZ   sing Y N 328 
TYR CE2 HE2  sing N N 329 
TYR CZ  OH   sing N N 330 
TYR OH  HH   sing N N 331 
TYR OXT HXT  sing N N 332 
VAL N   CA   sing N N 333 
VAL N   H    sing N N 334 
VAL N   H2   sing N N 335 
VAL CA  C    sing N N 336 
VAL CA  CB   sing N N 337 
VAL CA  HA   sing N N 338 
VAL C   O    doub N N 339 
VAL C   OXT  sing N N 340 
VAL CB  CG1  sing N N 341 
VAL CB  CG2  sing N N 342 
VAL CB  HB   sing N N 343 
VAL CG1 HG11 sing N N 344 
VAL CG1 HG12 sing N N 345 
VAL CG1 HG13 sing N N 346 
VAL CG2 HG21 sing N N 347 
VAL CG2 HG22 sing N N 348 
VAL CG2 HG23 sing N N 349 
VAL OXT HXT  sing N N 350 
# 
_atom_sites.entry_id                    1TPM 
_atom_sites.fract_transf_matrix[1][1]   1.000000 
_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]   1.000000 
_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]   1.000000 
_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 
C 
H 
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    . SER A 1 1  ? 4.097   -16.454 -5.240 1.00 0.00 ? 1  SER A N    1 
ATOM 2   C CA   . SER A 1 1  ? 4.372   -15.877 -3.902 1.00 0.00 ? 1  SER A CA   1 
ATOM 3   C C    . SER A 1 1  ? 4.145   -16.927 -2.824 1.00 0.00 ? 1  SER A C    1 
ATOM 4   O O    . SER A 1 1  ? 3.642   -17.999 -3.093 1.00 0.00 ? 1  SER A O    1 
ATOM 5   C CB   . SER A 1 1  ? 3.428   -14.693 -3.636 1.00 0.00 ? 1  SER A CB   1 
ATOM 6   O OG   . SER A 1 1  ? 2.249   -15.019 -4.357 1.00 0.00 ? 1  SER A OG   1 
ATOM 7   H H1   . SER A 1 1  ? 3.541   -17.327 -5.133 1.00 0.00 ? 1  SER A H1   1 
ATOM 8   H H2   . SER A 1 1  ? 3.561   -15.768 -5.809 1.00 0.00 ? 1  SER A H2   1 
ATOM 9   H H3   . SER A 1 1  ? 4.996   -16.672 -5.715 1.00 0.00 ? 1  SER A H3   1 
ATOM 10  H HA   . SER A 1 1  ? 5.414   -15.557 -3.866 1.00 0.00 ? 1  SER A HA   1 
ATOM 11  H HB2  . SER A 1 1  ? 3.208   -14.609 -2.581 1.00 0.00 ? 1  SER A HB2  1 
ATOM 12  H HB3  . SER A 1 1  ? 3.852   -13.773 -4.008 1.00 0.00 ? 1  SER A HB3  1 
ATOM 13  H HG   . SER A 1 1  ? 2.428   -14.888 -5.291 1.00 0.00 ? 1  SER A HG   1 
ATOM 14  N N    . TYR A 1 2  ? 4.520   -16.600 -1.617 1.00 0.00 ? 2  TYR A N    1 
ATOM 15  C CA   . TYR A 1 2  ? 4.331   -17.567 -0.512 1.00 0.00 ? 2  TYR A CA   1 
ATOM 16  C C    . TYR A 1 2  ? 2.850   -17.729 -0.190 1.00 0.00 ? 2  TYR A C    1 
ATOM 17  O O    . TYR A 1 2  ? 2.053   -16.862 -0.492 1.00 0.00 ? 2  TYR A O    1 
ATOM 18  C CB   . TYR A 1 2  ? 5.057   -17.029 0.732  1.00 0.00 ? 2  TYR A CB   1 
ATOM 19  C CG   . TYR A 1 2  ? 6.056   -15.949 0.308  1.00 0.00 ? 2  TYR A CG   1 
ATOM 20  C CD1  . TYR A 1 2  ? 7.256   -16.298 -0.278 1.00 0.00 ? 2  TYR A CD1  1 
ATOM 21  C CD2  . TYR A 1 2  ? 5.771   -14.612 0.503  1.00 0.00 ? 2  TYR A CD2  1 
ATOM 22  C CE1  . TYR A 1 2  ? 8.158   -15.326 -0.662 1.00 0.00 ? 2  TYR A CE1  1 
ATOM 23  C CE2  . TYR A 1 2  ? 6.672   -13.640 0.118  1.00 0.00 ? 2  TYR A CE2  1 
ATOM 24  C CZ   . TYR A 1 2  ? 7.873   -13.990 -0.467 1.00 0.00 ? 2  TYR A CZ   1 
ATOM 25  O OH   . TYR A 1 2  ? 8.775   -13.018 -0.851 1.00 0.00 ? 2  TYR A OH   1 
ATOM 26  H H    . TYR A 1 2  ? 4.921   -15.723 -1.444 1.00 0.00 ? 2  TYR A H    1 
ATOM 27  H HA   . TYR A 1 2  ? 4.737   -18.534 -0.811 1.00 0.00 ? 2  TYR A HA   1 
ATOM 28  H HB2  . TYR A 1 2  ? 4.340   -16.603 1.419  1.00 0.00 ? 2  TYR A HB2  1 
ATOM 29  H HB3  . TYR A 1 2  ? 5.588   -17.832 1.222  1.00 0.00 ? 2  TYR A HB3  1 
ATOM 30  H HD1  . TYR A 1 2  ? 7.492   -17.340 -0.436 1.00 0.00 ? 2  TYR A HD1  1 
ATOM 31  H HD2  . TYR A 1 2  ? 4.836   -14.325 0.963  1.00 0.00 ? 2  TYR A HD2  1 
ATOM 32  H HE1  . TYR A 1 2  ? 9.093   -15.613 -1.120 1.00 0.00 ? 2  TYR A HE1  1 
ATOM 33  H HE2  . TYR A 1 2  ? 6.436   -12.597 0.277  1.00 0.00 ? 2  TYR A HE2  1 
ATOM 34  H HH   . TYR A 1 2  ? 8.904   -12.423 -0.108 1.00 0.00 ? 2  TYR A HH   1 
ATOM 35  N N    . GLN A 1 3  ? 2.510   -18.841 0.419  1.00 0.00 ? 3  GLN A N    1 
ATOM 36  C CA   . GLN A 1 3  ? 1.082   -19.087 0.773  1.00 0.00 ? 3  GLN A CA   1 
ATOM 37  C C    . GLN A 1 3  ? 0.948   -19.510 2.230  1.00 0.00 ? 3  GLN A C    1 
ATOM 38  O O    . GLN A 1 3  ? 1.096   -20.671 2.556  1.00 0.00 ? 3  GLN A O    1 
ATOM 39  C CB   . GLN A 1 3  ? 0.551   -20.218 -0.121 1.00 0.00 ? 3  GLN A CB   1 
ATOM 40  C CG   . GLN A 1 3  ? -0.158  -19.609 -1.332 1.00 0.00 ? 3  GLN A CG   1 
ATOM 41  C CD   . GLN A 1 3  ? -0.289  -20.668 -2.430 1.00 0.00 ? 3  GLN A CD   1 
ATOM 42  O OE1  . GLN A 1 3  ? -1.376  -21.075 -2.789 1.00 0.00 ? 3  GLN A OE1  1 
ATOM 43  N NE2  . GLN A 1 3  ? 0.793   -21.138 -2.988 1.00 0.00 ? 3  GLN A NE2  1 
ATOM 44  H H    . GLN A 1 3  ? 3.193   -19.509 0.639  1.00 0.00 ? 3  GLN A H    1 
ATOM 45  H HA   . GLN A 1 3  ? 0.511   -18.173 0.620  1.00 0.00 ? 3  GLN A HA   1 
ATOM 46  H HB2  . GLN A 1 3  ? 1.374   -20.835 -0.453 1.00 0.00 ? 3  GLN A HB2  1 
ATOM 47  H HB3  . GLN A 1 3  ? -0.144  -20.826 0.439  1.00 0.00 ? 3  GLN A HB3  1 
ATOM 48  H HG2  . GLN A 1 3  ? -1.142  -19.268 -1.046 1.00 0.00 ? 3  GLN A HG2  1 
ATOM 49  H HG3  . GLN A 1 3  ? 0.413   -18.773 -1.709 1.00 0.00 ? 3  GLN A HG3  1 
ATOM 50  H HE21 . GLN A 1 3  ? 1.672   -20.814 -2.703 1.00 0.00 ? 3  GLN A HE21 1 
ATOM 51  H HE22 . GLN A 1 3  ? 0.726   -21.816 -3.694 1.00 0.00 ? 3  GLN A HE22 1 
ATOM 52  N N    . VAL A 1 4  ? 0.668   -18.553 3.080  1.00 0.00 ? 4  VAL A N    1 
ATOM 53  C CA   . VAL A 1 4  ? 0.517   -18.863 4.522  1.00 0.00 ? 4  VAL A CA   1 
ATOM 54  C C    . VAL A 1 4  ? -0.721  -18.181 5.086  1.00 0.00 ? 4  VAL A C    1 
ATOM 55  O O    . VAL A 1 4  ? -1.253  -18.589 6.098  1.00 0.00 ? 4  VAL A O    1 
ATOM 56  C CB   . VAL A 1 4  ? 1.745   -18.317 5.257  1.00 0.00 ? 4  VAL A CB   1 
ATOM 57  C CG1  . VAL A 1 4  ? 2.823   -19.404 5.333  1.00 0.00 ? 4  VAL A CG1  1 
ATOM 58  C CG2  . VAL A 1 4  ? 2.290   -17.111 4.491  1.00 0.00 ? 4  VAL A CG2  1 
ATOM 59  H H    . VAL A 1 4  ? 0.564   -17.633 2.767  1.00 0.00 ? 4  VAL A H    1 
ATOM 60  H HA   . VAL A 1 4  ? 0.425   -19.938 4.657  1.00 0.00 ? 4  VAL A HA   1 
ATOM 61  H HB   . VAL A 1 4  ? 1.463   -18.015 6.248  1.00 0.00 ? 4  VAL A HB   1 
ATOM 62  H HG11 . VAL A 1 4  ? 2.425   -20.278 5.827  1.00 0.00 ? 4  VAL A HG11 1 
ATOM 63  H HG12 . VAL A 1 4  ? 3.141   -19.673 4.337  1.00 0.00 ? 4  VAL A HG12 1 
ATOM 64  H HG13 . VAL A 1 4  ? 3.672   -19.036 5.890  1.00 0.00 ? 4  VAL A HG13 1 
ATOM 65  H HG21 . VAL A 1 4  ? 1.470   -16.512 4.122  1.00 0.00 ? 4  VAL A HG21 1 
ATOM 66  H HG22 . VAL A 1 4  ? 2.902   -16.509 5.145  1.00 0.00 ? 4  VAL A HG22 1 
ATOM 67  H HG23 . VAL A 1 4  ? 2.888   -17.447 3.656  1.00 0.00 ? 4  VAL A HG23 1 
ATOM 68  N N    . ILE A 1 5  ? -1.158  -17.151 4.418  1.00 0.00 ? 5  ILE A N    1 
ATOM 69  C CA   . ILE A 1 5  ? -2.354  -16.432 4.897  1.00 0.00 ? 5  ILE A CA   1 
ATOM 70  C C    . ILE A 1 5  ? -3.606  -17.294 4.747  1.00 0.00 ? 5  ILE A C    1 
ATOM 71  O O    . ILE A 1 5  ? -3.554  -18.382 4.208  1.00 0.00 ? 5  ILE A O    1 
ATOM 72  C CB   . ILE A 1 5  ? -2.518  -15.170 4.058  1.00 0.00 ? 5  ILE A CB   1 
ATOM 73  C CG1  . ILE A 1 5  ? -2.389  -15.513 2.583  1.00 0.00 ? 5  ILE A CG1  1 
ATOM 74  C CG2  . ILE A 1 5  ? -1.397  -14.183 4.431  1.00 0.00 ? 5  ILE A CG2  1 
ATOM 75  C CD1  . ILE A 1 5  ? -3.434  -14.725 1.790  1.00 0.00 ? 5  ILE A CD1  1 
ATOM 76  H H    . ILE A 1 5  ? -0.699  -16.856 3.605  1.00 0.00 ? 5  ILE A H    1 
ATOM 77  H HA   . ILE A 1 5  ? -2.217  -16.183 5.945  1.00 0.00 ? 5  ILE A HA   1 
ATOM 78  H HB   . ILE A 1 5  ? -3.496  -14.740 4.247  1.00 0.00 ? 5  ILE A HB   1 
ATOM 79  H HG12 . ILE A 1 5  ? -1.399  -15.255 2.235  1.00 0.00 ? 5  ILE A HG12 1 
ATOM 80  H HG13 . ILE A 1 5  ? -2.548  -16.570 2.443  1.00 0.00 ? 5  ILE A HG13 1 
ATOM 81  H HG21 . ILE A 1 5  ? -0.448  -14.699 4.451  1.00 0.00 ? 5  ILE A HG21 1 
ATOM 82  H HG22 . ILE A 1 5  ? -1.354  -13.388 3.701  1.00 0.00 ? 5  ILE A HG22 1 
ATOM 83  H HG23 . ILE A 1 5  ? -1.593  -13.760 5.405  1.00 0.00 ? 5  ILE A HG23 1 
ATOM 84  H HD11 . ILE A 1 5  ? -3.471  -13.705 2.146  1.00 0.00 ? 5  ILE A HD11 1 
ATOM 85  H HD12 . ILE A 1 5  ? -3.172  -14.726 0.741  1.00 0.00 ? 5  ILE A HD12 1 
ATOM 86  H HD13 . ILE A 1 5  ? -4.405  -15.180 1.914  1.00 0.00 ? 5  ILE A HD13 1 
ATOM 87  N N    . CYS A 1 6  ? -4.713  -16.788 5.230  1.00 0.00 ? 6  CYS A N    1 
ATOM 88  C CA   . CYS A 1 6  ? -5.982  -17.557 5.130  1.00 0.00 ? 6  CYS A CA   1 
ATOM 89  C C    . CYS A 1 6  ? -7.152  -16.622 4.855  1.00 0.00 ? 6  CYS A C    1 
ATOM 90  O O    . CYS A 1 6  ? -7.657  -15.982 5.754  1.00 0.00 ? 6  CYS A O    1 
ATOM 91  C CB   . CYS A 1 6  ? -6.225  -18.257 6.475  1.00 0.00 ? 6  CYS A CB   1 
ATOM 92  S SG   . CYS A 1 6  ? -5.868  -20.029 6.573  1.00 0.00 ? 6  CYS A SG   1 
ATOM 93  H H    . CYS A 1 6  ? -4.706  -15.907 5.656  1.00 0.00 ? 6  CYS A H    1 
ATOM 94  H HA   . CYS A 1 6  ? -5.903  -18.282 4.321  1.00 0.00 ? 6  CYS A HA   1 
ATOM 95  H HB2  . CYS A 1 6  ? -5.625  -17.760 7.224  1.00 0.00 ? 6  CYS A HB2  1 
ATOM 96  H HB3  . CYS A 1 6  ? -7.261  -18.116 6.741  1.00 0.00 ? 6  CYS A HB3  1 
ATOM 97  N N    . ARG A 1 7  ? -7.566  -16.558 3.619  1.00 0.00 ? 7  ARG A N    1 
ATOM 98  C CA   . ARG A 1 7  ? -8.699  -15.667 3.285  1.00 0.00 ? 7  ARG A CA   1 
ATOM 99  C C    . ARG A 1 7  ? -10.035 -16.291 3.669  1.00 0.00 ? 7  ARG A C    1 
ATOM 100 O O    . ARG A 1 7  ? -10.451 -17.278 3.095  1.00 0.00 ? 7  ARG A O    1 
ATOM 101 C CB   . ARG A 1 7  ? -8.695  -15.426 1.775  1.00 0.00 ? 7  ARG A CB   1 
ATOM 102 C CG   . ARG A 1 7  ? -9.762  -14.377 1.442  1.00 0.00 ? 7  ARG A CG   1 
ATOM 103 C CD   . ARG A 1 7  ? -9.561  -13.879 0.006  1.00 0.00 ? 7  ARG A CD   1 
ATOM 104 N NE   . ARG A 1 7  ? -8.969  -14.971 -0.818 1.00 0.00 ? 7  ARG A NE   1 
ATOM 105 C CZ   . ARG A 1 7  ? -8.948  -14.850 -2.117 1.00 0.00 ? 7  ARG A CZ   1 
ATOM 106 N NH1  . ARG A 1 7  ? -8.462  -13.758 -2.640 1.00 0.00 ? 7  ARG A NH1  1 
ATOM 107 N NH2  . ARG A 1 7  ? -9.412  -15.825 -2.849 1.00 0.00 ? 7  ARG A NH2  1 
ATOM 108 H H    . ARG A 1 7  ? -7.132  -17.088 2.919  1.00 0.00 ? 7  ARG A H    1 
ATOM 109 H HA   . ARG A 1 7  ? -8.580  -14.731 3.822  1.00 0.00 ? 7  ARG A HA   1 
ATOM 110 H HB2  . ARG A 1 7  ? -7.723  -15.071 1.467  1.00 0.00 ? 7  ARG A HB2  1 
ATOM 111 H HB3  . ARG A 1 7  ? -8.917  -16.349 1.262  1.00 0.00 ? 7  ARG A HB3  1 
ATOM 112 H HG2  . ARG A 1 7  ? -10.744 -14.817 1.541  1.00 0.00 ? 7  ARG A HG2  1 
ATOM 113 H HG3  . ARG A 1 7  ? -9.679  -13.547 2.126  1.00 0.00 ? 7  ARG A HG3  1 
ATOM 114 H HD2  . ARG A 1 7  ? -10.511 -13.588 -0.417 1.00 0.00 ? 7  ARG A HD2  1 
ATOM 115 H HD3  . ARG A 1 7  ? -8.895  -13.028 0.003  1.00 0.00 ? 7  ARG A HD3  1 
ATOM 116 H HE   . ARG A 1 7  ? -8.600  -15.769 -0.390 1.00 0.00 ? 7  ARG A HE   1 
ATOM 117 H HH11 . ARG A 1 7  ? -8.114  -13.032 -2.047 1.00 0.00 ? 7  ARG A HH11 1 
ATOM 118 H HH12 . ARG A 1 7  ? -8.440  -13.646 -3.633 1.00 0.00 ? 7  ARG A HH12 1 
ATOM 119 H HH21 . ARG A 1 7  ? -9.776  -16.648 -2.413 1.00 0.00 ? 7  ARG A HH21 1 
ATOM 120 H HH22 . ARG A 1 7  ? -9.405  -15.749 -3.846 1.00 0.00 ? 7  ARG A HH22 1 
ATOM 121 N N    . ASP A 1 8  ? -10.683 -15.699 4.637  1.00 0.00 ? 8  ASP A N    1 
ATOM 122 C CA   . ASP A 1 8  ? -11.996 -16.237 5.078  1.00 0.00 ? 8  ASP A CA   1 
ATOM 123 C C    . ASP A 1 8  ? -13.139 -15.474 4.411  1.00 0.00 ? 8  ASP A C    1 
ATOM 124 O O    . ASP A 1 8  ? -13.332 -14.298 4.662  1.00 0.00 ? 8  ASP A O    1 
ATOM 125 C CB   . ASP A 1 8  ? -12.104 -16.060 6.595  1.00 0.00 ? 8  ASP A CB   1 
ATOM 126 C CG   . ASP A 1 8  ? -13.284 -16.878 7.115  1.00 0.00 ? 8  ASP A CG   1 
ATOM 127 O OD1  . ASP A 1 8  ? -13.346 -18.039 6.742  1.00 0.00 ? 8  ASP A OD1  1 
ATOM 128 O OD2  . ASP A 1 8  ? -14.057 -16.297 7.854  1.00 0.00 ? 8  ASP A OD2  1 
ATOM 129 H H    . ASP A 1 8  ? -10.301 -14.909 5.075  1.00 0.00 ? 8  ASP A H    1 
ATOM 130 H HA   . ASP A 1 8  ? -12.060 -17.288 4.806  1.00 0.00 ? 8  ASP A HA   1 
ATOM 131 H HB2  . ASP A 1 8  ? -11.198 -16.404 7.065  1.00 0.00 ? 8  ASP A HB2  1 
ATOM 132 H HB3  . ASP A 1 8  ? -12.260 -15.017 6.834  1.00 0.00 ? 8  ASP A HB3  1 
ATOM 133 N N    . GLU A 1 9  ? -13.878 -16.159 3.571  1.00 0.00 ? 9  GLU A N    1 
ATOM 134 C CA   . GLU A 1 9  ? -15.008 -15.496 2.877  1.00 0.00 ? 9  GLU A CA   1 
ATOM 135 C C    . GLU A 1 9  ? -16.213 -15.345 3.799  1.00 0.00 ? 9  GLU A C    1 
ATOM 136 O O    . GLU A 1 9  ? -17.157 -14.650 3.479  1.00 0.00 ? 9  GLU A O    1 
ATOM 137 C CB   . GLU A 1 9  ? -15.411 -16.371 1.684  1.00 0.00 ? 9  GLU A CB   1 
ATOM 138 C CG   . GLU A 1 9  ? -15.996 -17.688 2.200  1.00 0.00 ? 9  GLU A CG   1 
ATOM 139 C CD   . GLU A 1 9  ? -16.063 -18.700 1.052  1.00 0.00 ? 9  GLU A CD   1 
ATOM 140 O OE1  . GLU A 1 9  ? -16.615 -18.325 0.030  1.00 0.00 ? 9  GLU A OE1  1 
ATOM 141 O OE2  . GLU A 1 9  ? -15.559 -19.791 1.262  1.00 0.00 ? 9  GLU A OE2  1 
ATOM 142 H H    . GLU A 1 9  ? -13.686 -17.101 3.402  1.00 0.00 ? 9  GLU A H    1 
ATOM 143 H HA   . GLU A 1 9  ? -14.691 -14.511 2.542  1.00 0.00 ? 9  GLU A HA   1 
ATOM 144 H HB2  . GLU A 1 9  ? -16.145 -15.856 1.092  1.00 0.00 ? 9  GLU A HB2  1 
ATOM 145 H HB3  . GLU A 1 9  ? -14.542 -16.572 1.075  1.00 0.00 ? 9  GLU A HB3  1 
ATOM 146 H HG2  . GLU A 1 9  ? -15.372 -18.082 2.987  1.00 0.00 ? 9  GLU A HG2  1 
ATOM 147 H HG3  . GLU A 1 9  ? -16.991 -17.520 2.584  1.00 0.00 ? 9  GLU A HG3  1 
ATOM 148 N N    . LYS A 1 10 ? -16.161 -15.998 4.927  1.00 0.00 ? 10 LYS A N    1 
ATOM 149 C CA   . LYS A 1 10 ? -17.299 -15.898 5.875  1.00 0.00 ? 10 LYS A CA   1 
ATOM 150 C C    . LYS A 1 10 ? -17.391 -14.486 6.426  1.00 0.00 ? 10 LYS A C    1 
ATOM 151 O O    . LYS A 1 10 ? -18.413 -14.075 6.938  1.00 0.00 ? 10 LYS A O    1 
ATOM 152 C CB   . LYS A 1 10 ? -17.054 -16.876 7.041  1.00 0.00 ? 10 LYS A CB   1 
ATOM 153 C CG   . LYS A 1 10 ? -18.028 -18.062 6.940  1.00 0.00 ? 10 LYS A CG   1 
ATOM 154 C CD   . LYS A 1 10 ? -17.673 -18.916 5.717  1.00 0.00 ? 10 LYS A CD   1 
ATOM 155 C CE   . LYS A 1 10 ? -18.964 -19.410 5.062  1.00 0.00 ? 10 LYS A CE   1 
ATOM 156 N NZ   . LYS A 1 10 ? -19.772 -20.199 6.035  1.00 0.00 ? 10 LYS A NZ   1 
ATOM 157 H H    . LYS A 1 10 ? -15.376 -16.538 5.149  1.00 0.00 ? 10 LYS A H    1 
ATOM 158 H HA   . LYS A 1 10 ? -18.222 -16.136 5.348  1.00 0.00 ? 10 LYS A HA   1 
ATOM 159 H HB2  . LYS A 1 10 ? -16.039 -17.239 6.999  1.00 0.00 ? 10 LYS A HB2  1 
ATOM 160 H HB3  . LYS A 1 10 ? -17.205 -16.364 7.979  1.00 0.00 ? 10 LYS A HB3  1 
ATOM 161 H HG2  . LYS A 1 10 ? -17.953 -18.664 7.833  1.00 0.00 ? 10 LYS A HG2  1 
ATOM 162 H HG3  . LYS A 1 10 ? -19.040 -17.697 6.847  1.00 0.00 ? 10 LYS A HG3  1 
ATOM 163 H HD2  . LYS A 1 10 ? -17.109 -18.330 5.010  1.00 0.00 ? 10 LYS A HD2  1 
ATOM 164 H HD3  . LYS A 1 10 ? -17.079 -19.763 6.027  1.00 0.00 ? 10 LYS A HD3  1 
ATOM 165 H HE2  . LYS A 1 10 ? -19.546 -18.564 4.724  1.00 0.00 ? 10 LYS A HE2  1 
ATOM 166 H HE3  . LYS A 1 10 ? -18.724 -20.034 4.215  1.00 0.00 ? 10 LYS A HE3  1 
ATOM 167 H HZ1  . LYS A 1 10 ? -19.174 -20.933 6.467  1.00 0.00 ? 10 LYS A HZ1  1 
ATOM 168 H HZ2  . LYS A 1 10 ? -20.135 -19.567 6.776  1.00 0.00 ? 10 LYS A HZ2  1 
ATOM 169 H HZ3  . LYS A 1 10 ? -20.569 -20.647 5.540  1.00 0.00 ? 10 LYS A HZ3  1 
ATOM 170 N N    . THR A 1 11 ? -16.313 -13.772 6.310  1.00 0.00 ? 11 THR A N    1 
ATOM 171 C CA   . THR A 1 11 ? -16.292 -12.384 6.809  1.00 0.00 ? 11 THR A CA   1 
ATOM 172 C C    . THR A 1 11 ? -15.382 -11.539 5.933  1.00 0.00 ? 11 THR A C    1 
ATOM 173 O O    . THR A 1 11 ? -15.339 -10.334 6.055  1.00 0.00 ? 11 THR A O    1 
ATOM 174 C CB   . THR A 1 11 ? -15.744 -12.390 8.241  1.00 0.00 ? 11 THR A CB   1 
ATOM 175 O OG1  . THR A 1 11 ? -14.921 -11.246 8.330  1.00 0.00 ? 11 THR A OG1  1 
ATOM 176 C CG2  . THR A 1 11 ? -14.789 -13.572 8.456  1.00 0.00 ? 11 THR A CG2  1 
ATOM 177 H H    . THR A 1 11 ? -15.514 -14.156 5.892  1.00 0.00 ? 11 THR A H    1 
ATOM 178 H HA   . THR A 1 11 ? -17.303 -11.977 6.777  1.00 0.00 ? 11 THR A HA   1 
ATOM 179 H HB   . THR A 1 11 ? -16.542 -12.351 8.979  1.00 0.00 ? 11 THR A HB   1 
ATOM 180 H HG1  . THR A 1 11 ? -15.433 -10.544 8.739  1.00 0.00 ? 11 THR A HG1  1 
ATOM 181 H HG21 . THR A 1 11 ? -14.218 -13.748 7.557  1.00 0.00 ? 11 THR A HG21 1 
ATOM 182 H HG22 . THR A 1 11 ? -14.113 -13.350 9.268  1.00 0.00 ? 11 THR A HG22 1 
ATOM 183 H HG23 . THR A 1 11 ? -15.355 -14.460 8.698  1.00 0.00 ? 11 THR A HG23 1 
ATOM 184 N N    . GLN A 1 12 ? -14.663 -12.208 5.064  1.00 0.00 ? 12 GLN A N    1 
ATOM 185 C CA   . GLN A 1 12 ? -13.736 -11.495 4.151  1.00 0.00 ? 12 GLN A CA   1 
ATOM 186 C C    . GLN A 1 12 ? -12.535 -11.003 4.921  1.00 0.00 ? 12 GLN A C    1 
ATOM 187 O O    . GLN A 1 12 ? -11.960 -9.981  4.598  1.00 0.00 ? 12 GLN A O    1 
ATOM 188 C CB   . GLN A 1 12 ? -14.462 -10.282 3.533  1.00 0.00 ? 12 GLN A CB   1 
ATOM 189 C CG   . GLN A 1 12 ? -13.864 -9.983  2.151  1.00 0.00 ? 12 GLN A CG   1 
ATOM 190 C CD   . GLN A 1 12 ? -13.923 -8.474  1.890  1.00 0.00 ? 12 GLN A CD   1 
ATOM 191 O OE1  . GLN A 1 12 ? -13.641 -7.671  2.757  1.00 0.00 ? 12 GLN A OE1  1 
ATOM 192 N NE2  . GLN A 1 12 ? -14.282 -8.046  0.710  1.00 0.00 ? 12 GLN A NE2  1 
ATOM 193 H H    . GLN A 1 12 ? -14.721 -13.183 5.033  1.00 0.00 ? 12 GLN A H    1 
ATOM 194 H HA   . GLN A 1 12 ? -13.404 -12.190 3.377  1.00 0.00 ? 12 GLN A HA   1 
ATOM 195 H HB2  . GLN A 1 12 ? -15.514 -10.500 3.435  1.00 0.00 ? 12 GLN A HB2  1 
ATOM 196 H HB3  . GLN A 1 12 ? -14.335 -9.421  4.171  1.00 0.00 ? 12 GLN A HB3  1 
ATOM 197 H HG2  . GLN A 1 12 ? -12.835 -10.309 2.117  1.00 0.00 ? 12 GLN A HG2  1 
ATOM 198 H HG3  . GLN A 1 12 ? -14.428 -10.499 1.388  1.00 0.00 ? 12 GLN A HG3  1 
ATOM 199 H HE21 . GLN A 1 12 ? -14.509 -8.687  0.004  1.00 0.00 ? 12 GLN A HE21 1 
ATOM 200 H HE22 . GLN A 1 12 ? -14.326 -7.083  0.530  1.00 0.00 ? 12 GLN A HE22 1 
ATOM 201 N N    . MET A 1 13 ? -12.176 -11.749 5.930  1.00 0.00 ? 13 MET A N    1 
ATOM 202 C CA   . MET A 1 13 ? -11.016 -11.366 6.756  1.00 0.00 ? 13 MET A CA   1 
ATOM 203 C C    . MET A 1 13 ? -9.860  -12.331 6.553  1.00 0.00 ? 13 MET A C    1 
ATOM 204 O O    . MET A 1 13 ? -10.028 -13.531 6.641  1.00 0.00 ? 13 MET A O    1 
ATOM 205 C CB   . MET A 1 13 ? -11.453 -11.419 8.221  1.00 0.00 ? 13 MET A CB   1 
ATOM 206 C CG   . MET A 1 13 ? -10.550 -10.509 9.048  1.00 0.00 ? 13 MET A CG   1 
ATOM 207 S SD   . MET A 1 13 ? -10.922 -8.739  9.033  1.00 0.00 ? 13 MET A SD   1 
ATOM 208 C CE   . MET A 1 13 ? -9.328  -8.169  9.671  1.00 0.00 ? 13 MET A CE   1 
ATOM 209 H H    . MET A 1 13 ? -12.676 -12.568 6.137  1.00 0.00 ? 13 MET A H    1 
ATOM 210 H HA   . MET A 1 13 ? -10.698 -10.367 6.486  1.00 0.00 ? 13 MET A HA   1 
ATOM 211 H HB2  . MET A 1 13 ? -12.478 -11.086 8.305  1.00 0.00 ? 13 MET A HB2  1 
ATOM 212 H HB3  . MET A 1 13 ? -11.379 -12.430 8.583  1.00 0.00 ? 13 MET A HB3  1 
ATOM 213 H HG2  . MET A 1 13 ? -10.587 -10.843 10.072 1.00 0.00 ? 13 MET A HG2  1 
ATOM 214 H HG3  . MET A 1 13 ? -9.537  -10.634 8.699  1.00 0.00 ? 13 MET A HG3  1 
ATOM 215 H HE1  . MET A 1 13 ? -8.534  -8.539  9.040  1.00 0.00 ? 13 MET A HE1  1 
ATOM 216 H HE2  . MET A 1 13 ? -9.308  -7.089  9.678  1.00 0.00 ? 13 MET A HE2  1 
ATOM 217 H HE3  . MET A 1 13 ? -9.190  -8.538  10.677 1.00 0.00 ? 13 MET A HE3  1 
ATOM 218 N N    . ILE A 1 14 ? -8.703  -11.790 6.285  1.00 0.00 ? 14 ILE A N    1 
ATOM 219 C CA   . ILE A 1 14 ? -7.529  -12.658 6.074  1.00 0.00 ? 14 ILE A CA   1 
ATOM 220 C C    . ILE A 1 14 ? -6.737  -12.810 7.359  1.00 0.00 ? 14 ILE A C    1 
ATOM 221 O O    . ILE A 1 14 ? -6.603  -11.873 8.121  1.00 0.00 ? 14 ILE A O    1 
ATOM 222 C CB   . ILE A 1 14 ? -6.651  -12.012 5.015  1.00 0.00 ? 14 ILE A CB   1 
ATOM 223 C CG1  . ILE A 1 14 ? -7.515  -11.608 3.828  1.00 0.00 ? 14 ILE A CG1  1 
ATOM 224 C CG2  . ILE A 1 14 ? -5.612  -13.044 4.541  1.00 0.00 ? 14 ILE A CG2  1 
ATOM 225 C CD1  . ILE A 1 14 ? -6.617  -11.245 2.648  1.00 0.00 ? 14 ILE A CD1  1 
ATOM 226 H H    . ILE A 1 14 ? -8.613  -10.816 6.223  1.00 0.00 ? 14 ILE A H    1 
ATOM 227 H HA   . ILE A 1 14 ? -7.866  -13.638 5.751  1.00 0.00 ? 14 ILE A HA   1 
ATOM 228 H HB   . ILE A 1 14 ? -6.170  -11.128 5.434  1.00 0.00 ? 14 ILE A HB   1 
ATOM 229 H HG12 . ILE A 1 14 ? -8.159  -12.430 3.553  1.00 0.00 ? 14 ILE A HG12 1 
ATOM 230 H HG13 . ILE A 1 14 ? -8.125  -10.758 4.097  1.00 0.00 ? 14 ILE A HG13 1 
ATOM 231 H HG21 . ILE A 1 14 ? -5.204  -13.568 5.391  1.00 0.00 ? 14 ILE A HG21 1 
ATOM 232 H HG22 . ILE A 1 14 ? -6.082  -13.755 3.878  1.00 0.00 ? 14 ILE A HG22 1 
ATOM 233 H HG23 . ILE A 1 14 ? -4.813  -12.543 4.016  1.00 0.00 ? 14 ILE A HG23 1 
ATOM 234 H HD11 . ILE A 1 14 ? -5.774  -10.669 2.996  1.00 0.00 ? 14 ILE A HD11 1 
ATOM 235 H HD12 . ILE A 1 14 ? -6.260  -12.147 2.172  1.00 0.00 ? 14 ILE A HD12 1 
ATOM 236 H HD13 . ILE A 1 14 ? -7.176  -10.662 1.932  1.00 0.00 ? 14 ILE A HD13 1 
ATOM 237 N N    . TYR A 1 15 ? -6.223  -13.996 7.571  1.00 0.00 ? 15 TYR A N    1 
ATOM 238 C CA   . TYR A 1 15 ? -5.432  -14.254 8.801  1.00 0.00 ? 15 TYR A CA   1 
ATOM 239 C C    . TYR A 1 15 ? -4.053  -14.803 8.457  1.00 0.00 ? 15 TYR A C    1 
ATOM 240 O O    . TYR A 1 15 ? -3.778  -15.124 7.322  1.00 0.00 ? 15 TYR A O    1 
ATOM 241 C CB   . TYR A 1 15 ? -6.194  -15.292 9.636  1.00 0.00 ? 15 TYR A CB   1 
ATOM 242 C CG   . TYR A 1 15 ? -7.590  -14.744 9.950  1.00 0.00 ? 15 TYR A CG   1 
ATOM 243 C CD1  . TYR A 1 15 ? -7.800  -13.974 11.073 1.00 0.00 ? 15 TYR A CD1  1 
ATOM 244 C CD2  . TYR A 1 15 ? -8.654  -15.001 9.105  1.00 0.00 ? 15 TYR A CD2  1 
ATOM 245 C CE1  . TYR A 1 15 ? -9.052  -13.467 11.352 1.00 0.00 ? 15 TYR A CE1  1 
ATOM 246 C CE2  . TYR A 1 15 ? -9.908  -14.492 9.384  1.00 0.00 ? 15 TYR A CE2  1 
ATOM 247 C CZ   . TYR A 1 15 ? -10.115 -13.720 10.511 1.00 0.00 ? 15 TYR A CZ   1 
ATOM 248 O OH   . TYR A 1 15 ? -11.362 -13.205 10.790 1.00 0.00 ? 15 TYR A OH   1 
ATOM 249 H H    . TYR A 1 15 ? -6.360  -14.713 6.917  1.00 0.00 ? 15 TYR A H    1 
ATOM 250 H HA   . TYR A 1 15 ? -5.312  -13.327 9.356  1.00 0.00 ? 15 TYR A HA   1 
ATOM 251 H HB2  . TYR A 1 15 ? -6.288  -16.214 9.080  1.00 0.00 ? 15 TYR A HB2  1 
ATOM 252 H HB3  . TYR A 1 15 ? -5.667  -15.483 10.558 1.00 0.00 ? 15 TYR A HB3  1 
ATOM 253 H HD1  . TYR A 1 15 ? -6.978  -13.765 11.739 1.00 0.00 ? 15 TYR A HD1  1 
ATOM 254 H HD2  . TYR A 1 15 ? -8.505  -15.602 8.219  1.00 0.00 ? 15 TYR A HD2  1 
ATOM 255 H HE1  . TYR A 1 15 ? -9.201  -12.865 12.235 1.00 0.00 ? 15 TYR A HE1  1 
ATOM 256 H HE2  . TYR A 1 15 ? -10.733 -14.700 8.717  1.00 0.00 ? 15 TYR A HE2  1 
ATOM 257 H HH   . TYR A 1 15 ? -11.263 -12.266 10.964 1.00 0.00 ? 15 TYR A HH   1 
ATOM 258 N N    . GLN A 1 16 ? -3.211  -14.899 9.452  1.00 0.00 ? 16 GLN A N    1 
ATOM 259 C CA   . GLN A 1 16 ? -1.850  -15.421 9.211  1.00 0.00 ? 16 GLN A CA   1 
ATOM 260 C C    . GLN A 1 16 ? -1.799  -16.928 9.364  1.00 0.00 ? 16 GLN A C    1 
ATOM 261 O O    . GLN A 1 16 ? -2.813  -17.596 9.387  1.00 0.00 ? 16 GLN A O    1 
ATOM 262 C CB   . GLN A 1 16 ? -0.910  -14.792 10.244 1.00 0.00 ? 16 GLN A CB   1 
ATOM 263 C CG   . GLN A 1 16 ? -1.074  -13.271 10.219 1.00 0.00 ? 16 GLN A CG   1 
ATOM 264 C CD   . GLN A 1 16 ? 0.202   -12.616 10.752 1.00 0.00 ? 16 GLN A CD   1 
ATOM 265 O OE1  . GLN A 1 16 ? 0.917   -11.946 10.033 1.00 0.00 ? 16 GLN A OE1  1 
ATOM 266 N NE2  . GLN A 1 16 ? 0.525   -12.786 12.006 1.00 0.00 ? 16 GLN A NE2  1 
ATOM 267 H H    . GLN A 1 16 ? -3.476  -14.625 10.351 1.00 0.00 ? 16 GLN A H    1 
ATOM 268 H HA   . GLN A 1 16 ? -1.538  -15.164 8.202  1.00 0.00 ? 16 GLN A HA   1 
ATOM 269 H HB2  . GLN A 1 16 ? -1.149  -15.166 11.228 1.00 0.00 ? 16 GLN A HB2  1 
ATOM 270 H HB3  . GLN A 1 16 ? 0.105   -15.047 10.008 1.00 0.00 ? 16 GLN A HB3  1 
ATOM 271 H HG2  . GLN A 1 16 ? -1.251  -12.937 9.207  1.00 0.00 ? 16 GLN A HG2  1 
ATOM 272 H HG3  . GLN A 1 16 ? -1.909  -12.982 10.841 1.00 0.00 ? 16 GLN A HG3  1 
ATOM 273 H HE21 . GLN A 1 16 ? -0.047  -13.326 12.591 1.00 0.00 ? 16 GLN A HE21 1 
ATOM 274 H HE22 . GLN A 1 16 ? 1.339   -12.373 12.364 1.00 0.00 ? 16 GLN A HE22 1 
ATOM 275 N N    . GLN A 1 17 ? -0.609  -17.429 9.467  1.00 0.00 ? 17 GLN A N    1 
ATOM 276 C CA   . GLN A 1 17 ? -0.435  -18.894 9.621  1.00 0.00 ? 17 GLN A CA   1 
ATOM 277 C C    . GLN A 1 17 ? -0.620  -19.330 11.074 1.00 0.00 ? 17 GLN A C    1 
ATOM 278 O O    . GLN A 1 17 ? -0.249  -18.622 11.987 1.00 0.00 ? 17 GLN A O    1 
ATOM 279 C CB   . GLN A 1 17 ? 0.991   -19.258 9.182  1.00 0.00 ? 17 GLN A CB   1 
ATOM 280 C CG   . GLN A 1 17 ? 0.949   -20.564 8.388  1.00 0.00 ? 17 GLN A CG   1 
ATOM 281 C CD   . GLN A 1 17 ? 2.360   -21.147 8.297  1.00 0.00 ? 17 GLN A CD   1 
ATOM 282 O OE1  . GLN A 1 17 ? 2.551   -22.346 8.329  1.00 0.00 ? 17 GLN A OE1  1 
ATOM 283 N NE2  . GLN A 1 17 ? 3.374   -20.334 8.184  1.00 0.00 ? 17 GLN A NE2  1 
ATOM 284 H H    . GLN A 1 17 ? 0.168   -16.839 9.440  1.00 0.00 ? 17 GLN A H    1 
ATOM 285 H HA   . GLN A 1 17 ? -1.164  -19.401 9.001  1.00 0.00 ? 17 GLN A HA   1 
ATOM 286 H HB2  . GLN A 1 17 ? 1.394   -18.470 8.563  1.00 0.00 ? 17 GLN A HB2  1 
ATOM 287 H HB3  . GLN A 1 17 ? 1.619   -19.382 10.052 1.00 0.00 ? 17 GLN A HB3  1 
ATOM 288 H HG2  . GLN A 1 17 ? 0.300   -21.273 8.883  1.00 0.00 ? 17 GLN A HG2  1 
ATOM 289 H HG3  . GLN A 1 17 ? 0.577   -20.375 7.391  1.00 0.00 ? 17 GLN A HG3  1 
ATOM 290 H HE21 . GLN A 1 17 ? 3.225   -19.365 8.158  1.00 0.00 ? 17 GLN A HE21 1 
ATOM 291 H HE22 . GLN A 1 17 ? 4.284   -20.692 8.124  1.00 0.00 ? 17 GLN A HE22 1 
ATOM 292 N N    . HIS A 1 18 ? -1.203  -20.491 11.257 1.00 0.00 ? 18 HIS A N    1 
ATOM 293 C CA   . HIS A 1 18 ? -1.422  -20.995 12.641 1.00 0.00 ? 18 HIS A CA   1 
ATOM 294 C C    . HIS A 1 18 ? -2.169  -19.978 13.487 1.00 0.00 ? 18 HIS A C    1 
ATOM 295 O O    . HIS A 1 18 ? -2.129  -20.032 14.701 1.00 0.00 ? 18 HIS A O    1 
ATOM 296 C CB   . HIS A 1 18 ? -0.051  -21.270 13.282 1.00 0.00 ? 18 HIS A CB   1 
ATOM 297 C CG   . HIS A 1 18 ? 0.738   -22.233 12.393 1.00 0.00 ? 18 HIS A CG   1 
ATOM 298 N ND1  . HIS A 1 18 ? 1.983   -22.282 12.323 1.00 0.00 ? 18 HIS A ND1  1 
ATOM 299 C CD2  . HIS A 1 18 ? 0.281   -23.209 11.527 1.00 0.00 ? 18 HIS A CD2  1 
ATOM 300 C CE1  . HIS A 1 18 ? 2.369   -23.176 11.511 1.00 0.00 ? 18 HIS A CE1  1 
ATOM 301 N NE2  . HIS A 1 18 ? 1.348   -23.826 10.949 1.00 0.00 ? 18 HIS A NE2  1 
ATOM 302 H H    . HIS A 1 18 ? -1.505  -21.019 10.485 1.00 0.00 ? 18 HIS A H    1 
ATOM 303 H HA   . HIS A 1 18 ? -2.010  -21.909 12.595 1.00 0.00 ? 18 HIS A HA   1 
ATOM 304 H HB2  . HIS A 1 18 ? 0.498   -20.349 13.385 1.00 0.00 ? 18 HIS A HB2  1 
ATOM 305 H HB3  . HIS A 1 18 ? -0.187  -21.715 14.257 1.00 0.00 ? 18 HIS A HB3  1 
ATOM 306 H HD1  . HIS A 1 18 ? 2.586   -21.699 12.829 1.00 0.00 ? 18 HIS A HD1  1 
ATOM 307 H HD2  . HIS A 1 18 ? -0.757  -23.446 11.339 1.00 0.00 ? 18 HIS A HD2  1 
ATOM 308 H HE1  . HIS A 1 18 ? 3.406   -23.392 11.302 1.00 0.00 ? 18 HIS A HE1  1 
ATOM 309 N N    . GLN A 1 19 ? -2.845  -19.070 12.832 1.00 0.00 ? 19 GLN A N    1 
ATOM 310 C CA   . GLN A 1 19 ? -3.603  -18.041 13.585 1.00 0.00 ? 19 GLN A CA   1 
ATOM 311 C C    . GLN A 1 19 ? -5.063  -18.457 13.705 1.00 0.00 ? 19 GLN A C    1 
ATOM 312 O O    . GLN A 1 19 ? -5.716  -18.717 12.716 1.00 0.00 ? 19 GLN A O    1 
ATOM 313 C CB   . GLN A 1 19 ? -3.509  -16.707 12.820 1.00 0.00 ? 19 GLN A CB   1 
ATOM 314 C CG   . GLN A 1 19 ? -3.420  -15.555 13.831 1.00 0.00 ? 19 GLN A CG   1 
ATOM 315 C CD   . GLN A 1 19 ? -3.254  -14.232 13.084 1.00 0.00 ? 19 GLN A CD   1 
ATOM 316 O OE1  . GLN A 1 19 ? -2.387  -13.438 13.392 1.00 0.00 ? 19 GLN A OE1  1 
ATOM 317 N NE2  . GLN A 1 19 ? -4.059  -13.956 12.098 1.00 0.00 ? 19 GLN A NE2  1 
ATOM 318 H H    . GLN A 1 19 ? -2.858  -19.075 11.849 1.00 0.00 ? 19 GLN A H    1 
ATOM 319 H HA   . GLN A 1 19 ? -3.179  -17.948 14.585 1.00 0.00 ? 19 GLN A HA   1 
ATOM 320 H HB2  . GLN A 1 19 ? -2.625  -16.710 12.194 1.00 0.00 ? 19 GLN A HB2  1 
ATOM 321 H HB3  . GLN A 1 19 ? -4.382  -16.580 12.198 1.00 0.00 ? 19 GLN A HB3  1 
ATOM 322 H HG2  . GLN A 1 19 ? -4.322  -15.518 14.424 1.00 0.00 ? 19 GLN A HG2  1 
ATOM 323 H HG3  . GLN A 1 19 ? -2.572  -15.702 14.482 1.00 0.00 ? 19 GLN A HG3  1 
ATOM 324 H HE21 . GLN A 1 19 ? -4.759  -14.592 11.845 1.00 0.00 ? 19 GLN A HE21 1 
ATOM 325 H HE22 . GLN A 1 19 ? -3.966  -13.110 11.612 1.00 0.00 ? 19 GLN A HE22 1 
ATOM 326 N N    . SER A 1 20 ? -5.549  -18.518 14.917 1.00 0.00 ? 20 SER A N    1 
ATOM 327 C CA   . SER A 1 20 ? -6.963  -18.919 15.114 1.00 0.00 ? 20 SER A CA   1 
ATOM 328 C C    . SER A 1 20 ? -7.911  -17.723 15.144 1.00 0.00 ? 20 SER A C    1 
ATOM 329 O O    . SER A 1 20 ? -7.602  -16.691 15.705 1.00 0.00 ? 20 SER A O    1 
ATOM 330 C CB   . SER A 1 20 ? -7.067  -19.651 16.459 1.00 0.00 ? 20 SER A CB   1 
ATOM 331 O OG   . SER A 1 20 ? -6.475  -18.755 17.388 1.00 0.00 ? 20 SER A OG   1 
ATOM 332 H H    . SER A 1 20 ? -4.985  -18.310 15.687 1.00 0.00 ? 20 SER A H    1 
ATOM 333 H HA   . SER A 1 20 ? -7.253  -19.573 14.303 1.00 0.00 ? 20 SER A HA   1 
ATOM 334 H HB2  . SER A 1 20 ? -8.100  -19.830 16.720 1.00 0.00 ? 20 SER A HB2  1 
ATOM 335 H HB3  . SER A 1 20 ? -6.517  -20.581 16.434 1.00 0.00 ? 20 SER A HB3  1 
ATOM 336 H HG   . SER A 1 20 ? -6.769  -17.867 17.171 1.00 0.00 ? 20 SER A HG   1 
ATOM 337 N N    . TRP A 1 21 ? -9.055  -17.895 14.528 1.00 0.00 ? 21 TRP A N    1 
ATOM 338 C CA   . TRP A 1 21 ? -10.053 -16.795 14.500 1.00 0.00 ? 21 TRP A CA   1 
ATOM 339 C C    . TRP A 1 21 ? -11.483 -17.376 14.468 1.00 0.00 ? 21 TRP A C    1 
ATOM 340 O O    . TRP A 1 21 ? -11.895 -17.982 13.499 1.00 0.00 ? 21 TRP A O    1 
ATOM 341 C CB   . TRP A 1 21 ? -9.783  -15.913 13.257 1.00 0.00 ? 21 TRP A CB   1 
ATOM 342 C CG   . TRP A 1 21 ? -10.285 -16.592 11.977 1.00 0.00 ? 21 TRP A CG   1 
ATOM 343 C CD1  . TRP A 1 21 ? -11.472 -16.372 11.455 1.00 0.00 ? 21 TRP A CD1  1 
ATOM 344 C CD2  . TRP A 1 21 ? -9.574  -17.392 11.211 1.00 0.00 ? 21 TRP A CD2  1 
ATOM 345 N NE1  . TRP A 1 21 ? -11.462 -17.079 10.313 1.00 0.00 ? 21 TRP A NE1  1 
ATOM 346 C CE2  . TRP A 1 21 ? -10.293 -17.753 10.084 1.00 0.00 ? 21 TRP A CE2  1 
ATOM 347 C CE3  . TRP A 1 21 ? -8.289  -17.873 11.375 1.00 0.00 ? 21 TRP A CE3  1 
ATOM 348 C CZ2  . TRP A 1 21 ? -9.745  -18.573 9.137  1.00 0.00 ? 21 TRP A CZ2  1 
ATOM 349 C CZ3  . TRP A 1 21 ? -7.734  -18.704 10.416 1.00 0.00 ? 21 TRP A CZ3  1 
ATOM 350 C CH2  . TRP A 1 21 ? -8.463  -19.051 9.298  1.00 0.00 ? 21 TRP A CH2  1 
ATOM 351 H H    . TRP A 1 21 ? -9.247  -18.746 14.080 1.00 0.00 ? 21 TRP A H    1 
ATOM 352 H HA   . TRP A 1 21 ? -9.942  -16.209 15.416 1.00 0.00 ? 21 TRP A HA   1 
ATOM 353 H HB2  . TRP A 1 21 ? -10.289 -14.967 13.372 1.00 0.00 ? 21 TRP A HB2  1 
ATOM 354 H HB3  . TRP A 1 21 ? -8.724  -15.731 13.168 1.00 0.00 ? 21 TRP A HB3  1 
ATOM 355 H HD1  . TRP A 1 21 ? -12.243 -15.747 11.834 1.00 0.00 ? 21 TRP A HD1  1 
ATOM 356 H HE1  . TRP A 1 21 ? -12.222 -17.107 9.692  1.00 0.00 ? 21 TRP A HE1  1 
ATOM 357 H HE3  . TRP A 1 21 ? -7.721  -17.608 12.250 1.00 0.00 ? 21 TRP A HE3  1 
ATOM 358 H HZ2  . TRP A 1 21 ? -10.321 -18.842 8.265  1.00 0.00 ? 21 TRP A HZ2  1 
ATOM 359 H HZ3  . TRP A 1 21 ? -6.731  -19.085 10.545 1.00 0.00 ? 21 TRP A HZ3  1 
ATOM 360 H HH2  . TRP A 1 21 ? -8.026  -19.690 8.547  1.00 0.00 ? 21 TRP A HH2  1 
ATOM 361 N N    . LEU A 1 22 ? -12.205 -17.169 15.555 1.00 0.00 ? 22 LEU A N    1 
ATOM 362 C CA   . LEU A 1 22 ? -13.611 -17.690 15.652 1.00 0.00 ? 22 LEU A CA   1 
ATOM 363 C C    . LEU A 1 22 ? -14.623 -16.892 14.820 1.00 0.00 ? 22 LEU A C    1 
ATOM 364 O O    . LEU A 1 22 ? -14.550 -15.683 14.722 1.00 0.00 ? 22 LEU A O    1 
ATOM 365 C CB   . LEU A 1 22 ? -14.053 -17.588 17.130 1.00 0.00 ? 22 LEU A CB   1 
ATOM 366 C CG   . LEU A 1 22 ? -13.435 -18.720 17.991 1.00 0.00 ? 22 LEU A CG   1 
ATOM 367 C CD1  . LEU A 1 22 ? -14.211 -20.025 17.778 1.00 0.00 ? 22 LEU A CD1  1 
ATOM 368 C CD2  . LEU A 1 22 ? -11.956 -18.935 17.626 1.00 0.00 ? 22 LEU A CD2  1 
ATOM 369 H H    . LEU A 1 22 ? -11.821 -16.673 16.307 1.00 0.00 ? 22 LEU A H    1 
ATOM 370 H HA   . LEU A 1 22 ? -13.629 -18.720 15.318 1.00 0.00 ? 22 LEU A HA   1 
ATOM 371 H HB2  . LEU A 1 22 ? -13.745 -16.633 17.527 1.00 0.00 ? 22 LEU A HB2  1 
ATOM 372 H HB3  . LEU A 1 22 ? -15.127 -17.651 17.182 1.00 0.00 ? 22 LEU A HB3  1 
ATOM 373 H HG   . LEU A 1 22 ? -13.502 -18.441 19.029 1.00 0.00 ? 22 LEU A HG   1 
ATOM 374 H HD11 . LEU A 1 22 ? -14.788 -19.971 16.868 1.00 0.00 ? 22 LEU A HD11 1 
ATOM 375 H HD12 . LEU A 1 22 ? -13.521 -20.849 17.715 1.00 0.00 ? 22 LEU A HD12 1 
ATOM 376 H HD13 . LEU A 1 22 ? -14.877 -20.188 18.610 1.00 0.00 ? 22 LEU A HD13 1 
ATOM 377 H HD21 . LEU A 1 22 ? -11.432 -17.993 17.656 1.00 0.00 ? 22 LEU A HD21 1 
ATOM 378 H HD22 . LEU A 1 22 ? -11.506 -19.611 18.337 1.00 0.00 ? 22 LEU A HD22 1 
ATOM 379 H HD23 . LEU A 1 22 ? -11.873 -19.360 16.641 1.00 0.00 ? 22 LEU A HD23 1 
ATOM 380 N N    . ARG A 1 23 ? -15.579 -17.620 14.273 1.00 0.00 ? 23 ARG A N    1 
ATOM 381 C CA   . ARG A 1 23 ? -16.648 -16.997 13.433 1.00 0.00 ? 23 ARG A CA   1 
ATOM 382 C C    . ARG A 1 23 ? -18.014 -17.172 14.153 1.00 0.00 ? 23 ARG A C    1 
ATOM 383 O O    . ARG A 1 23 ? -18.179 -18.100 14.919 1.00 0.00 ? 23 ARG A O    1 
ATOM 384 C CB   . ARG A 1 23 ? -16.689 -17.767 12.077 1.00 0.00 ? 23 ARG A CB   1 
ATOM 385 C CG   . ARG A 1 23 ? -16.130 -16.899 10.919 1.00 0.00 ? 23 ARG A CG   1 
ATOM 386 C CD   . ARG A 1 23 ? -14.638 -16.631 11.124 1.00 0.00 ? 23 ARG A CD   1 
ATOM 387 N NE   . ARG A 1 23 ? -14.476 -15.567 12.148 1.00 0.00 ? 23 ARG A NE   1 
ATOM 388 C CZ   . ARG A 1 23 ? -14.671 -14.317 11.824 1.00 0.00 ? 23 ARG A CZ   1 
ATOM 389 N NH1  . ARG A 1 23 ? -15.892 -13.872 11.721 1.00 0.00 ? 23 ARG A NH1  1 
ATOM 390 N NH2  . ARG A 1 23 ? -13.636 -13.553 11.623 1.00 0.00 ? 23 ARG A NH2  1 
ATOM 391 H H    . ARG A 1 23 ? -15.592 -18.584 14.428 1.00 0.00 ? 23 ARG A H    1 
ATOM 392 H HA   . ARG A 1 23 ? -16.435 -15.956 13.300 1.00 0.00 ? 23 ARG A HA   1 
ATOM 393 H HB2  . ARG A 1 23 ? -16.098 -18.668 12.161 1.00 0.00 ? 23 ARG A HB2  1 
ATOM 394 H HB3  . ARG A 1 23 ? -17.709 -18.042 11.855 1.00 0.00 ? 23 ARG A HB3  1 
ATOM 395 H HG2  . ARG A 1 23 ? -16.270 -17.420 9.984  1.00 0.00 ? 23 ARG A HG2  1 
ATOM 396 H HG3  . ARG A 1 23 ? -16.654 -15.970 10.874 1.00 0.00 ? 23 ARG A HG3  1 
ATOM 397 H HD2  . ARG A 1 23 ? -14.138 -17.534 11.455 1.00 0.00 ? 23 ARG A HD2  1 
ATOM 398 H HD3  . ARG A 1 23 ? -14.197 -16.301 10.197 1.00 0.00 ? 23 ARG A HD3  1 
ATOM 399 H HE   . ARG A 1 23 ? -14.212 -15.801 13.052 1.00 0.00 ? 23 ARG A HE   1 
ATOM 400 H HH11 . ARG A 1 23 ? -16.664 -14.485 11.889 1.00 0.00 ? 23 ARG A HH11 1 
ATOM 401 H HH12 . ARG A 1 23 ? -16.057 -12.918 11.474 1.00 0.00 ? 23 ARG A HH12 1 
ATOM 402 H HH21 . ARG A 1 23 ? -12.715 -13.926 11.720 1.00 0.00 ? 23 ARG A HH21 1 
ATOM 403 H HH22 . ARG A 1 23 ? -13.764 -12.593 11.372 1.00 0.00 ? 23 ARG A HH22 1 
ATOM 404 N N    . PRO A 1 24 ? -18.980 -16.277 13.900 1.00 0.00 ? 24 PRO A N    1 
ATOM 405 C CA   . PRO A 1 24 ? -20.291 -16.385 14.548 1.00 0.00 ? 24 PRO A CA   1 
ATOM 406 C C    . PRO A 1 24 ? -20.947 -17.735 14.282 1.00 0.00 ? 24 PRO A C    1 
ATOM 407 O O    . PRO A 1 24 ? -20.454 -18.530 13.505 1.00 0.00 ? 24 PRO A O    1 
ATOM 408 C CB   . PRO A 1 24 ? -21.145 -15.267 13.916 1.00 0.00 ? 24 PRO A CB   1 
ATOM 409 C CG   . PRO A 1 24 ? -20.233 -14.488 12.924 1.00 0.00 ? 24 PRO A CG   1 
ATOM 410 C CD   . PRO A 1 24 ? -18.841 -15.145 12.968 1.00 0.00 ? 24 PRO A CD   1 
ATOM 411 H HA   . PRO A 1 24 ? -20.182 -16.234 15.617 1.00 0.00 ? 24 PRO A HA   1 
ATOM 412 H HB2  . PRO A 1 24 ? -21.983 -15.699 13.387 1.00 0.00 ? 24 PRO A HB2  1 
ATOM 413 H HB3  . PRO A 1 24 ? -21.509 -14.601 14.686 1.00 0.00 ? 24 PRO A HB3  1 
ATOM 414 H HG2  . PRO A 1 24 ? -20.639 -14.548 11.925 1.00 0.00 ? 24 PRO A HG2  1 
ATOM 415 H HG3  . PRO A 1 24 ? -20.164 -13.454 13.224 1.00 0.00 ? 24 PRO A HG3  1 
ATOM 416 H HD2  . PRO A 1 24 ? -18.565 -15.499 11.997 1.00 0.00 ? 24 PRO A HD2  1 
ATOM 417 H HD3  . PRO A 1 24 ? -18.111 -14.441 13.336 1.00 0.00 ? 24 PRO A HD3  1 
ATOM 418 N N    . VAL A 1 25 ? -22.055 -17.965 14.935 1.00 0.00 ? 25 VAL A N    1 
ATOM 419 C CA   . VAL A 1 25 ? -22.766 -19.248 14.744 1.00 0.00 ? 25 VAL A CA   1 
ATOM 420 C C    . VAL A 1 25 ? -23.675 -19.184 13.522 1.00 0.00 ? 25 VAL A C    1 
ATOM 421 O O    . VAL A 1 25 ? -23.781 -18.159 12.877 1.00 0.00 ? 25 VAL A O    1 
ATOM 422 C CB   . VAL A 1 25 ? -23.630 -19.521 16.003 1.00 0.00 ? 25 VAL A CB   1 
ATOM 423 C CG1  . VAL A 1 25 ? -22.943 -18.924 17.242 1.00 0.00 ? 25 VAL A CG1  1 
ATOM 424 C CG2  . VAL A 1 25 ? -25.008 -18.874 15.842 1.00 0.00 ? 25 VAL A CG2  1 
ATOM 425 H H    . VAL A 1 25 ? -22.408 -17.297 15.551 1.00 0.00 ? 25 VAL A H    1 
ATOM 426 H HA   . VAL A 1 25 ? -22.033 -20.043 14.600 1.00 0.00 ? 25 VAL A HA   1 
ATOM 427 H HB   . VAL A 1 25 ? -23.751 -20.579 16.132 1.00 0.00 ? 25 VAL A HB   1 
ATOM 428 H HG11 . VAL A 1 25 ? -21.873 -18.915 17.103 1.00 0.00 ? 25 VAL A HG11 1 
ATOM 429 H HG12 . VAL A 1 25 ? -23.287 -17.913 17.398 1.00 0.00 ? 25 VAL A HG12 1 
ATOM 430 H HG13 . VAL A 1 25 ? -23.182 -19.519 18.112 1.00 0.00 ? 25 VAL A HG13 1 
ATOM 431 H HG21 . VAL A 1 25 ? -24.905 -17.892 15.408 1.00 0.00 ? 25 VAL A HG21 1 
ATOM 432 H HG22 . VAL A 1 25 ? -25.628 -19.487 15.202 1.00 0.00 ? 25 VAL A HG22 1 
ATOM 433 H HG23 . VAL A 1 25 ? -25.480 -18.786 16.810 1.00 0.00 ? 25 VAL A HG23 1 
ATOM 434 N N    . LEU A 1 26 ? -24.312 -20.280 13.224 1.00 0.00 ? 26 LEU A N    1 
ATOM 435 C CA   . LEU A 1 26 ? -25.218 -20.303 12.049 1.00 0.00 ? 26 LEU A CA   1 
ATOM 436 C C    . LEU A 1 26 ? -26.639 -19.935 12.464 1.00 0.00 ? 26 LEU A C    1 
ATOM 437 O O    . LEU A 1 26 ? -27.157 -18.905 12.082 1.00 0.00 ? 26 LEU A O    1 
ATOM 438 C CB   . LEU A 1 26 ? -25.226 -21.730 11.459 1.00 0.00 ? 26 LEU A CB   1 
ATOM 439 C CG   . LEU A 1 26 ? -23.816 -22.329 11.540 1.00 0.00 ? 26 LEU A CG   1 
ATOM 440 C CD1  . LEU A 1 26 ? -23.825 -23.712 10.887 1.00 0.00 ? 26 LEU A CD1  1 
ATOM 441 C CD2  . LEU A 1 26 ? -22.835 -21.424 10.790 1.00 0.00 ? 26 LEU A CD2  1 
ATOM 442 H H    . LEU A 1 26 ? -24.190 -21.085 13.770 1.00 0.00 ? 26 LEU A H    1 
ATOM 443 H HA   . LEU A 1 26 ? -24.868 -19.582 11.317 1.00 0.00 ? 26 LEU A HA   1 
ATOM 444 H HB2  . LEU A 1 26 ? -25.910 -22.349 12.015 1.00 0.00 ? 26 LEU A HB2  1 
ATOM 445 H HB3  . LEU A 1 26 ? -25.544 -21.692 10.429 1.00 0.00 ? 26 LEU A HB3  1 
ATOM 446 H HG   . LEU A 1 26 ? -23.514 -22.421 12.572 1.00 0.00 ? 26 LEU A HG   1 
ATOM 447 H HD11 . LEU A 1 26 ? -24.841 -24.000 10.656 1.00 0.00 ? 26 LEU A HD11 1 
ATOM 448 H HD12 . LEU A 1 26 ? -23.246 -23.689 9.975  1.00 0.00 ? 26 LEU A HD12 1 
ATOM 449 H HD13 . LEU A 1 26 ? -23.396 -24.436 11.563 1.00 0.00 ? 26 LEU A HD13 1 
ATOM 450 H HD21 . LEU A 1 26 ? -23.216 -21.212 9.802  1.00 0.00 ? 26 LEU A HD21 1 
ATOM 451 H HD22 . LEU A 1 26 ? -22.709 -20.496 11.329 1.00 0.00 ? 26 LEU A HD22 1 
ATOM 452 H HD23 . LEU A 1 26 ? -21.878 -21.917 10.703 1.00 0.00 ? 26 LEU A HD23 1 
ATOM 453 N N    . ARG A 1 27 ? -27.240 -20.790 13.239 1.00 0.00 ? 27 ARG A N    1 
ATOM 454 C CA   . ARG A 1 27 ? -28.623 -20.526 13.699 1.00 0.00 ? 27 ARG A CA   1 
ATOM 455 C C    . ARG A 1 27 ? -28.843 -21.143 15.069 1.00 0.00 ? 27 ARG A C    1 
ATOM 456 O O    . ARG A 1 27 ? -29.774 -20.799 15.771 1.00 0.00 ? 27 ARG A O    1 
ATOM 457 C CB   . ARG A 1 27 ? -29.601 -21.172 12.705 1.00 0.00 ? 27 ARG A CB   1 
ATOM 458 C CG   . ARG A 1 27 ? -29.440 -20.507 11.341 1.00 0.00 ? 27 ARG A CG   1 
ATOM 459 C CD   . ARG A 1 27 ? -30.656 -20.842 10.472 1.00 0.00 ? 27 ARG A CD   1 
ATOM 460 N NE   . ARG A 1 27 ? -31.689 -19.783 10.651 1.00 0.00 ? 27 ARG A NE   1 
ATOM 461 C CZ   . ARG A 1 27 ? -32.100 -19.105 9.614  1.00 0.00 ? 27 ARG A CZ   1 
ATOM 462 N NH1  . ARG A 1 27 ? -31.427 -18.051 9.243  1.00 0.00 ? 27 ARG A NH1  1 
ATOM 463 N NH2  . ARG A 1 27 ? -33.172 -19.502 8.983  1.00 0.00 ? 27 ARG A NH2  1 
ATOM 464 H H    . ARG A 1 27 ? -26.778 -21.606 13.517 1.00 0.00 ? 27 ARG A H    1 
ATOM 465 H HA   . ARG A 1 27 ? -28.782 -19.449 13.761 1.00 0.00 ? 27 ARG A HA   1 
ATOM 466 H HB2  . ARG A 1 27 ? -29.389 -22.227 12.621 1.00 0.00 ? 27 ARG A HB2  1 
ATOM 467 H HB3  . ARG A 1 27 ? -30.615 -21.042 13.056 1.00 0.00 ? 27 ARG A HB3  1 
ATOM 468 H HG2  . ARG A 1 27 ? -29.367 -19.438 11.466 1.00 0.00 ? 27 ARG A HG2  1 
ATOM 469 H HG3  . ARG A 1 27 ? -28.541 -20.871 10.865 1.00 0.00 ? 27 ARG A HG3  1 
ATOM 470 H HD2  . ARG A 1 27 ? -30.364 -20.885 9.433  1.00 0.00 ? 27 ARG A HD2  1 
ATOM 471 H HD3  . ARG A 1 27 ? -31.066 -21.796 10.768 1.00 0.00 ? 27 ARG A HD3  1 
ATOM 472 H HE   . ARG A 1 27 ? -32.058 -19.598 11.541 1.00 0.00 ? 27 ARG A HE   1 
ATOM 473 H HH11 . ARG A 1 27 ? -30.611 -17.774 9.751  1.00 0.00 ? 27 ARG A HH11 1 
ATOM 474 H HH12 . ARG A 1 27 ? -31.726 -17.519 8.451  1.00 0.00 ? 27 ARG A HH12 1 
ATOM 475 H HH21 . ARG A 1 27 ? -33.665 -20.314 9.297  1.00 0.00 ? 27 ARG A HH21 1 
ATOM 476 H HH22 . ARG A 1 27 ? -33.501 -18.995 8.186  1.00 0.00 ? 27 ARG A HH22 1 
ATOM 477 N N    . SER A 1 28 ? -27.975 -22.049 15.423 1.00 0.00 ? 28 SER A N    1 
ATOM 478 C CA   . SER A 1 28 ? -28.102 -22.709 16.741 1.00 0.00 ? 28 SER A CA   1 
ATOM 479 C C    . SER A 1 28 ? -27.430 -21.882 17.829 1.00 0.00 ? 28 SER A C    1 
ATOM 480 O O    . SER A 1 28 ? -27.970 -20.891 18.280 1.00 0.00 ? 28 SER A O    1 
ATOM 481 C CB   . SER A 1 28 ? -27.410 -24.077 16.659 1.00 0.00 ? 28 SER A CB   1 
ATOM 482 O OG   . SER A 1 28 ? -28.372 -24.917 16.042 1.00 0.00 ? 28 SER A OG   1 
ATOM 483 H H    . SER A 1 28 ? -27.244 -22.292 14.818 1.00 0.00 ? 28 SER A H    1 
ATOM 484 H HA   . SER A 1 28 ? -29.157 -22.823 16.981 1.00 0.00 ? 28 SER A HA   1 
ATOM 485 H HB2  . SER A 1 28 ? -26.520 -24.019 16.052 1.00 0.00 ? 28 SER A HB2  1 
ATOM 486 H HB3  . SER A 1 28 ? -27.171 -24.443 17.644 1.00 0.00 ? 28 SER A HB3  1 
ATOM 487 H HG   . SER A 1 28 ? -28.030 -25.181 15.185 1.00 0.00 ? 28 SER A HG   1 
ATOM 488 N N    . ASN A 1 29 ? -26.260 -22.300 18.230 1.00 0.00 ? 29 ASN A N    1 
ATOM 489 C CA   . ASN A 1 29 ? -25.545 -21.547 19.286 1.00 0.00 ? 29 ASN A CA   1 
ATOM 490 C C    . ASN A 1 29 ? -24.088 -21.986 19.381 1.00 0.00 ? 29 ASN A C    1 
ATOM 491 O O    . ASN A 1 29 ? -23.429 -21.736 20.370 1.00 0.00 ? 29 ASN A O    1 
ATOM 492 C CB   . ASN A 1 29 ? -26.232 -21.836 20.628 1.00 0.00 ? 29 ASN A CB   1 
ATOM 493 C CG   . ASN A 1 29 ? -25.629 -20.938 21.709 1.00 0.00 ? 29 ASN A CG   1 
ATOM 494 O OD1  . ASN A 1 29 ? -24.660 -21.286 22.353 1.00 0.00 ? 29 ASN A OD1  1 
ATOM 495 N ND2  . ASN A 1 29 ? -26.172 -19.775 21.938 1.00 0.00 ? 29 ASN A ND2  1 
ATOM 496 H H    . ASN A 1 29 ? -25.861 -23.104 17.840 1.00 0.00 ? 29 ASN A H    1 
ATOM 497 H HA   . ASN A 1 29 ? -25.583 -20.484 19.053 1.00 0.00 ? 29 ASN A HA   1 
ATOM 498 H HB2  . ASN A 1 29 ? -27.291 -21.637 20.547 1.00 0.00 ? 29 ASN A HB2  1 
ATOM 499 H HB3  . ASN A 1 29 ? -26.083 -22.871 20.901 1.00 0.00 ? 29 ASN A HB3  1 
ATOM 500 H HD21 . ASN A 1 29 ? -26.954 -19.489 21.421 1.00 0.00 ? 29 ASN A HD21 1 
ATOM 501 H HD22 . ASN A 1 29 ? -25.799 -19.187 22.626 1.00 0.00 ? 29 ASN A HD22 1 
ATOM 502 N N    . ARG A 1 30 ? -23.609 -22.633 18.354 1.00 0.00 ? 30 ARG A N    1 
ATOM 503 C CA   . ARG A 1 30 ? -22.209 -23.087 18.376 1.00 0.00 ? 30 ARG A CA   1 
ATOM 504 C C    . ARG A 1 30 ? -21.284 -22.056 17.757 1.00 0.00 ? 30 ARG A C    1 
ATOM 505 O O    . ARG A 1 30 ? -21.703 -21.230 16.986 1.00 0.00 ? 30 ARG A O    1 
ATOM 506 C CB   . ARG A 1 30 ? -22.117 -24.357 17.542 1.00 0.00 ? 30 ARG A CB   1 
ATOM 507 C CG   . ARG A 1 30 ? -22.962 -25.452 18.177 1.00 0.00 ? 30 ARG A CG   1 
ATOM 508 C CD   . ARG A 1 30 ? -22.276 -26.778 17.923 1.00 0.00 ? 30 ARG A CD   1 
ATOM 509 N NE   . ARG A 1 30 ? -23.246 -27.885 18.142 1.00 0.00 ? 30 ARG A NE   1 
ATOM 510 C CZ   . ARG A 1 30 ? -23.063 -29.024 17.532 1.00 0.00 ? 30 ARG A CZ   1 
ATOM 511 N NH1  . ARG A 1 30 ? -21.941 -29.226 16.893 1.00 0.00 ? 30 ARG A NH1  1 
ATOM 512 N NH2  . ARG A 1 30 ? -24.005 -29.924 17.581 1.00 0.00 ? 30 ARG A NH2  1 
ATOM 513 H H    . ARG A 1 30 ? -24.173 -22.824 17.576 1.00 0.00 ? 30 ARG A H    1 
ATOM 514 H HA   . ARG A 1 30 ? -21.904 -23.272 19.410 1.00 0.00 ? 30 ARG A HA   1 
ATOM 515 H HB2  . ARG A 1 30 ? -22.475 -24.158 16.544 1.00 0.00 ? 30 ARG A HB2  1 
ATOM 516 H HB3  . ARG A 1 30 ? -21.093 -24.677 17.490 1.00 0.00 ? 30 ARG A HB3  1 
ATOM 517 H HG2  . ARG A 1 30 ? -23.047 -25.284 19.240 1.00 0.00 ? 30 ARG A HG2  1 
ATOM 518 H HG3  . ARG A 1 30 ? -23.946 -25.457 17.735 1.00 0.00 ? 30 ARG A HG3  1 
ATOM 519 H HD2  . ARG A 1 30 ? -21.919 -26.809 16.904 1.00 0.00 ? 30 ARG A HD2  1 
ATOM 520 H HD3  . ARG A 1 30 ? -21.444 -26.890 18.598 1.00 0.00 ? 30 ARG A HD3  1 
ATOM 521 H HE   . ARG A 1 30 ? -24.013 -27.760 18.738 1.00 0.00 ? 30 ARG A HE   1 
ATOM 522 H HH11 . ARG A 1 30 ? -21.240 -28.513 16.876 1.00 0.00 ? 30 ARG A HH11 1 
ATOM 523 H HH12 . ARG A 1 30 ? -21.784 -30.093 16.420 1.00 0.00 ? 30 ARG A HH12 1 
ATOM 524 H HH21 . ARG A 1 30 ? -24.851 -29.735 18.081 1.00 0.00 ? 30 ARG A HH21 1 
ATOM 525 H HH22 . ARG A 1 30 ? -23.882 -30.803 17.121 1.00 0.00 ? 30 ARG A HH22 1 
ATOM 526 N N    . VAL A 1 31 ? -20.033 -22.143 18.099 1.00 0.00 ? 31 VAL A N    1 
ATOM 527 C CA   . VAL A 1 31 ? -19.047 -21.180 17.545 1.00 0.00 ? 31 VAL A CA   1 
ATOM 528 C C    . VAL A 1 31 ? -18.212 -21.841 16.464 1.00 0.00 ? 31 VAL A C    1 
ATOM 529 O O    . VAL A 1 31 ? -17.828 -22.987 16.589 1.00 0.00 ? 31 VAL A O    1 
ATOM 530 C CB   . VAL A 1 31 ? -18.122 -20.737 18.674 1.00 0.00 ? 31 VAL A CB   1 
ATOM 531 C CG1  . VAL A 1 31 ? -18.720 -19.512 19.367 1.00 0.00 ? 31 VAL A CG1  1 
ATOM 532 C CG2  . VAL A 1 31 ? -17.980 -21.874 19.688 1.00 0.00 ? 31 VAL A CG2  1 
ATOM 533 H H    . VAL A 1 31 ? -19.741 -22.847 18.717 1.00 0.00 ? 31 VAL A H    1 
ATOM 534 H HA   . VAL A 1 31 ? -19.565 -20.327 17.116 1.00 0.00 ? 31 VAL A HA   1 
ATOM 535 H HB   . VAL A 1 31 ? -17.164 -20.489 18.268 1.00 0.00 ? 31 VAL A HB   1 
ATOM 536 H HG11 . VAL A 1 31 ? -19.776 -19.666 19.532 1.00 0.00 ? 31 VAL A HG11 1 
ATOM 537 H HG12 . VAL A 1 31 ? -18.230 -19.357 20.317 1.00 0.00 ? 31 VAL A HG12 1 
ATOM 538 H HG13 . VAL A 1 31 ? -18.579 -18.639 18.748 1.00 0.00 ? 31 VAL A HG13 1 
ATOM 539 H HG21 . VAL A 1 31 ? -17.783 -22.801 19.171 1.00 0.00 ? 31 VAL A HG21 1 
ATOM 540 H HG22 . VAL A 1 31 ? -17.163 -21.662 20.361 1.00 0.00 ? 31 VAL A HG22 1 
ATOM 541 H HG23 . VAL A 1 31 ? -18.893 -21.971 20.257 1.00 0.00 ? 31 VAL A HG23 1 
ATOM 542 N N    . GLU A 1 32 ? -17.944 -21.113 15.416 1.00 0.00 ? 32 GLU A N    1 
ATOM 543 C CA   . GLU A 1 32 ? -17.135 -21.696 14.328 1.00 0.00 ? 32 GLU A CA   1 
ATOM 544 C C    . GLU A 1 32 ? -15.658 -21.450 14.568 1.00 0.00 ? 32 GLU A C    1 
ATOM 545 O O    . GLU A 1 32 ? -15.194 -20.332 14.523 1.00 0.00 ? 32 GLU A O    1 
ATOM 546 C CB   . GLU A 1 32 ? -17.529 -21.025 13.011 1.00 0.00 ? 32 GLU A CB   1 
ATOM 547 C CG   . GLU A 1 32 ? -18.769 -21.713 12.441 1.00 0.00 ? 32 GLU A CG   1 
ATOM 548 C CD   . GLU A 1 32 ? -19.124 -21.073 11.096 1.00 0.00 ? 32 GLU A CD   1 
ATOM 549 O OE1  . GLU A 1 32 ? -18.422 -21.384 10.148 1.00 0.00 ? 32 GLU A OE1  1 
ATOM 550 O OE2  . GLU A 1 32 ? -20.075 -20.309 11.093 1.00 0.00 ? 32 GLU A OE2  1 
ATOM 551 H H    . GLU A 1 32 ? -18.276 -20.190 15.350 1.00 0.00 ? 32 GLU A H    1 
ATOM 552 H HA   . GLU A 1 32 ? -17.315 -22.771 14.287 1.00 0.00 ? 32 GLU A HA   1 
ATOM 553 H HB2  . GLU A 1 32 ? -17.740 -19.984 13.186 1.00 0.00 ? 32 GLU A HB2  1 
ATOM 554 H HB3  . GLU A 1 32 ? -16.714 -21.107 12.308 1.00 0.00 ? 32 GLU A HB3  1 
ATOM 555 H HG2  . GLU A 1 32 ? -18.570 -22.764 12.295 1.00 0.00 ? 32 GLU A HG2  1 
ATOM 556 H HG3  . GLU A 1 32 ? -19.599 -21.596 13.123 1.00 0.00 ? 32 GLU A HG3  1 
ATOM 557 N N    . TYR A 1 33 ? -14.949 -22.501 14.816 1.00 0.00 ? 33 TYR A N    1 
ATOM 558 C CA   . TYR A 1 33 ? -13.509 -22.364 15.060 1.00 0.00 ? 33 TYR A CA   1 
ATOM 559 C C    . TYR A 1 33 ? -12.769 -22.521 13.760 1.00 0.00 ? 33 TYR A C    1 
ATOM 560 O O    . TYR A 1 33 ? -12.849 -23.553 13.140 1.00 0.00 ? 33 TYR A O    1 
ATOM 561 C CB   . TYR A 1 33 ? -13.091 -23.488 16.011 1.00 0.00 ? 33 TYR A CB   1 
ATOM 562 C CG   . TYR A 1 33 ? -11.845 -23.076 16.795 1.00 0.00 ? 33 TYR A CG   1 
ATOM 563 C CD1  . TYR A 1 33 ? -10.632 -22.932 16.156 1.00 0.00 ? 33 TYR A CD1  1 
ATOM 564 C CD2  . TYR A 1 33 ? -11.914 -22.859 18.158 1.00 0.00 ? 33 TYR A CD2  1 
ATOM 565 C CE1  . TYR A 1 33 ? -9.504  -22.579 16.868 1.00 0.00 ? 33 TYR A CE1  1 
ATOM 566 C CE2  . TYR A 1 33 ? -10.788 -22.507 18.869 1.00 0.00 ? 33 TYR A CE2  1 
ATOM 567 C CZ   . TYR A 1 33 ? -9.573  -22.363 18.230 1.00 0.00 ? 33 TYR A CZ   1 
ATOM 568 O OH   . TYR A 1 33 ? -8.444  -22.008 18.943 1.00 0.00 ? 33 TYR A OH   1 
ATOM 569 H H    . TYR A 1 33 ? -15.365 -23.383 14.828 1.00 0.00 ? 33 TYR A H    1 
ATOM 570 H HA   . TYR A 1 33 ? -13.300 -21.386 15.481 1.00 0.00 ? 33 TYR A HA   1 
ATOM 571 H HB2  . TYR A 1 33 ? -13.894 -23.696 16.703 1.00 0.00 ? 33 TYR A HB2  1 
ATOM 572 H HB3  . TYR A 1 33 ? -12.877 -24.375 15.441 1.00 0.00 ? 33 TYR A HB3  1 
ATOM 573 H HD1  . TYR A 1 33 ? -10.564 -23.098 15.091 1.00 0.00 ? 33 TYR A HD1  1 
ATOM 574 H HD2  . TYR A 1 33 ? -12.859 -22.966 18.671 1.00 0.00 ? 33 TYR A HD2  1 
ATOM 575 H HE1  . TYR A 1 33 ? -8.560  -22.477 16.356 1.00 0.00 ? 33 TYR A HE1  1 
ATOM 576 H HE2  . TYR A 1 33 ? -10.856 -22.348 19.934 1.00 0.00 ? 33 TYR A HE2  1 
ATOM 577 H HH   . TYR A 1 33 ? -8.386  -21.049 18.948 1.00 0.00 ? 33 TYR A HH   1 
ATOM 578 N N    . CYS A 1 34 ? -12.069 -21.491 13.358 1.00 0.00 ? 34 CYS A N    1 
ATOM 579 C CA   . CYS A 1 34 ? -11.318 -21.580 12.082 1.00 0.00 ? 34 CYS A CA   1 
ATOM 580 C C    . CYS A 1 34 ? -9.892  -21.081 12.235 1.00 0.00 ? 34 CYS A C    1 
ATOM 581 O O    . CYS A 1 34 ? -9.664  -19.919 12.509 1.00 0.00 ? 34 CYS A O    1 
ATOM 582 C CB   . CYS A 1 34 ? -12.038 -20.714 11.039 1.00 0.00 ? 34 CYS A CB   1 
ATOM 583 S SG   . CYS A 1 34 ? -13.182 -21.554 9.911  1.00 0.00 ? 34 CYS A SG   1 
ATOM 584 H H    . CYS A 1 34 ? -12.041 -20.671 13.893 1.00 0.00 ? 34 CYS A H    1 
ATOM 585 H HA   . CYS A 1 34 ? -11.289 -22.607 11.764 1.00 0.00 ? 34 CYS A HA   1 
ATOM 586 H HB2  . CYS A 1 34 ? -12.595 -19.952 11.563 1.00 0.00 ? 34 CYS A HB2  1 
ATOM 587 H HB3  . CYS A 1 34 ? -11.292 -20.220 10.440 1.00 0.00 ? 34 CYS A HB3  1 
ATOM 588 N N    . TRP A 1 35 ? -8.951  -21.984 12.053 1.00 0.00 ? 35 TRP A N    1 
ATOM 589 C CA   . TRP A 1 35 ? -7.522  -21.601 12.176 1.00 0.00 ? 35 TRP A CA   1 
ATOM 590 C C    . TRP A 1 35 ? -6.746  -22.039 10.954 1.00 0.00 ? 35 TRP A C    1 
ATOM 591 O O    . TRP A 1 35 ? -7.086  -23.008 10.313 1.00 0.00 ? 35 TRP A O    1 
ATOM 592 C CB   . TRP A 1 35 ? -6.921  -22.282 13.415 1.00 0.00 ? 35 TRP A CB   1 
ATOM 593 C CG   . TRP A 1 35 ? -6.189  -23.563 12.989 1.00 0.00 ? 35 TRP A CG   1 
ATOM 594 C CD1  . TRP A 1 35 ? -4.928  -23.586 12.594 1.00 0.00 ? 35 TRP A CD1  1 
ATOM 595 C CD2  . TRP A 1 35 ? -6.704  -24.777 13.008 1.00 0.00 ? 35 TRP A CD2  1 
ATOM 596 N NE1  . TRP A 1 35 ? -4.682  -24.885 12.373 1.00 0.00 ? 35 TRP A NE1  1 
ATOM 597 C CE2  . TRP A 1 35 ? -5.762  -25.715 12.616 1.00 0.00 ? 35 TRP A CE2  1 
ATOM 598 C CE3  . TRP A 1 35 ? -7.979  -25.200 13.354 1.00 0.00 ? 35 TRP A CE3  1 
ATOM 599 C CZ2  . TRP A 1 35 ? -6.087  -27.055 12.576 1.00 0.00 ? 35 TRP A CZ2  1 
ATOM 600 C CZ3  . TRP A 1 35 ? -8.300  -26.543 13.315 1.00 0.00 ? 35 TRP A CZ3  1 
ATOM 601 C CH2  . TRP A 1 35 ? -7.355  -27.469 12.926 1.00 0.00 ? 35 TRP A CH2  1 
ATOM 602 H H    . TRP A 1 35 ? -9.194  -22.908 11.837 1.00 0.00 ? 35 TRP A H    1 
ATOM 603 H HA   . TRP A 1 35 ? -7.450  -20.526 12.253 1.00 0.00 ? 35 TRP A HA   1 
ATOM 604 H HB2  . TRP A 1 35 ? -6.211  -21.615 13.884 1.00 0.00 ? 35 TRP A HB2  1 
ATOM 605 H HB3  . TRP A 1 35 ? -7.697  -22.520 14.119 1.00 0.00 ? 35 TRP A HB3  1 
ATOM 606 H HD1  . TRP A 1 35 ? -4.257  -22.754 12.473 1.00 0.00 ? 35 TRP A HD1  1 
ATOM 607 H HE1  . TRP A 1 35 ? -3.815  -25.215 12.059 1.00 0.00 ? 35 TRP A HE1  1 
ATOM 608 H HE3  . TRP A 1 35 ? -8.731  -24.482 13.625 1.00 0.00 ? 35 TRP A HE3  1 
ATOM 609 H HZ2  . TRP A 1 35 ? -5.348  -27.780 12.271 1.00 0.00 ? 35 TRP A HZ2  1 
ATOM 610 H HZ3  . TRP A 1 35 ? -9.292  -26.869 13.589 1.00 0.00 ? 35 TRP A HZ3  1 
ATOM 611 H HH2  . TRP A 1 35 ? -7.607  -28.518 12.897 1.00 0.00 ? 35 TRP A HH2  1 
ATOM 612 N N    . CYS A 1 36 ? -5.709  -21.317 10.662 1.00 0.00 ? 36 CYS A N    1 
ATOM 613 C CA   . CYS A 1 36 ? -4.880  -21.665 9.473  1.00 0.00 ? 36 CYS A CA   1 
ATOM 614 C C    . CYS A 1 36 ? -3.840  -22.737 9.782  1.00 0.00 ? 36 CYS A C    1 
ATOM 615 O O    . CYS A 1 36 ? -2.935  -22.517 10.552 1.00 0.00 ? 36 CYS A O    1 
ATOM 616 C CB   . CYS A 1 36 ? -4.137  -20.405 9.029  1.00 0.00 ? 36 CYS A CB   1 
ATOM 617 S SG   . CYS A 1 36 ? -3.966  -20.115 7.248  1.00 0.00 ? 36 CYS A SG   1 
ATOM 618 H H    . CYS A 1 36 ? -5.476  -20.541 11.226 1.00 0.00 ? 36 CYS A H    1 
ATOM 619 H HA   . CYS A 1 36 ? -5.527  -22.021 8.685  1.00 0.00 ? 36 CYS A HA   1 
ATOM 620 H HB2  . CYS A 1 36 ? -4.635  -19.551 9.456  1.00 0.00 ? 36 CYS A HB2  1 
ATOM 621 H HB3  . CYS A 1 36 ? -3.150  -20.445 9.448  1.00 0.00 ? 36 CYS A HB3  1 
ATOM 622 N N    . ASN A 1 37 ? -3.979  -23.878 9.158  1.00 0.00 ? 37 ASN A N    1 
ATOM 623 C CA   . ASN A 1 37 ? -2.998  -24.962 9.412  1.00 0.00 ? 37 ASN A CA   1 
ATOM 624 C C    . ASN A 1 37 ? -1.826  -24.837 8.449  1.00 0.00 ? 37 ASN A C    1 
ATOM 625 O O    . ASN A 1 37 ? -0.758  -25.367 8.686  1.00 0.00 ? 37 ASN A O    1 
ATOM 626 C CB   . ASN A 1 37 ? -3.689  -26.317 9.184  1.00 0.00 ? 37 ASN A CB   1 
ATOM 627 C CG   . ASN A 1 37 ? -2.668  -27.442 9.371  1.00 0.00 ? 37 ASN A CG   1 
ATOM 628 O OD1  . ASN A 1 37 ? -2.409  -27.883 10.473 1.00 0.00 ? 37 ASN A OD1  1 
ATOM 629 N ND2  . ASN A 1 37 ? -2.064  -27.933 8.322  1.00 0.00 ? 37 ASN A ND2  1 
ATOM 630 H H    . ASN A 1 37 ? -4.723  -24.017 8.530  1.00 0.00 ? 37 ASN A H    1 
ATOM 631 H HA   . ASN A 1 37 ? -2.629  -24.877 10.435 1.00 0.00 ? 37 ASN A HA   1 
ATOM 632 H HB2  . ASN A 1 37 ? -4.491  -26.442 9.895  1.00 0.00 ? 37 ASN A HB2  1 
ATOM 633 H HB3  . ASN A 1 37 ? -4.089  -26.361 8.182  1.00 0.00 ? 37 ASN A HB3  1 
ATOM 634 H HD21 . ASN A 1 37 ? -2.266  -27.580 7.431  1.00 0.00 ? 37 ASN A HD21 1 
ATOM 635 H HD22 . ASN A 1 37 ? -1.410  -28.655 8.427  1.00 0.00 ? 37 ASN A HD22 1 
ATOM 636 N N    . SER A 1 38 ? -2.052  -24.129 7.376  1.00 0.00 ? 38 SER A N    1 
ATOM 637 C CA   . SER A 1 38 ? -0.976  -23.944 6.373  1.00 0.00 ? 38 SER A CA   1 
ATOM 638 C C    . SER A 1 38 ? -1.411  -22.951 5.303  1.00 0.00 ? 38 SER A C    1 
ATOM 639 O O    . SER A 1 38 ? -0.593  -22.371 4.617  1.00 0.00 ? 38 SER A O    1 
ATOM 640 C CB   . SER A 1 38 ? -0.691  -25.297 5.706  1.00 0.00 ? 38 SER A CB   1 
ATOM 641 O OG   . SER A 1 38 ? -1.904  -25.619 5.042  1.00 0.00 ? 38 SER A OG   1 
ATOM 642 H H    . SER A 1 38 ? -2.932  -23.722 7.233  1.00 0.00 ? 38 SER A H    1 
ATOM 643 H HA   . SER A 1 38 ? -0.086  -23.561 6.873  1.00 0.00 ? 38 SER A HA   1 
ATOM 644 H HB2  . SER A 1 38 ? 0.114   -25.209 4.992  1.00 0.00 ? 38 SER A HB2  1 
ATOM 645 H HB3  . SER A 1 38 ? -0.459  -26.048 6.446  1.00 0.00 ? 38 SER A HB3  1 
ATOM 646 H HG   . SER A 1 38 ? -1.789  -25.430 4.108  1.00 0.00 ? 38 SER A HG   1 
ATOM 647 N N    . GLY A 1 39 ? -2.699  -22.770 5.183  1.00 0.00 ? 39 GLY A N    1 
ATOM 648 C CA   . GLY A 1 39 ? -3.213  -21.817 4.162  1.00 0.00 ? 39 GLY A CA   1 
ATOM 649 C C    . GLY A 1 39 ? -4.580  -22.276 3.648  1.00 0.00 ? 39 GLY A C    1 
ATOM 650 O O    . GLY A 1 39 ? -5.123  -21.697 2.728  1.00 0.00 ? 39 GLY A O    1 
ATOM 651 H H    . GLY A 1 39 ? -3.322  -23.258 5.761  1.00 0.00 ? 39 GLY A H    1 
ATOM 652 H HA2  . GLY A 1 39 ? -3.309  -20.836 4.606  1.00 0.00 ? 39 GLY A HA2  1 
ATOM 653 H HA3  . GLY A 1 39 ? -2.519  -21.768 3.337  1.00 0.00 ? 39 GLY A HA3  1 
ATOM 654 N N    . ARG A 1 40 ? -5.104  -23.311 4.262  1.00 0.00 ? 40 ARG A N    1 
ATOM 655 C CA   . ARG A 1 40 ? -6.432  -23.834 3.834  1.00 0.00 ? 40 ARG A CA   1 
ATOM 656 C C    . ARG A 1 40 ? -7.498  -23.505 4.868  1.00 0.00 ? 40 ARG A C    1 
ATOM 657 O O    . ARG A 1 40 ? -8.611  -23.988 4.791  1.00 0.00 ? 40 ARG A O    1 
ATOM 658 C CB   . ARG A 1 40 ? -6.330  -25.365 3.706  1.00 0.00 ? 40 ARG A CB   1 
ATOM 659 C CG   . ARG A 1 40 ? -5.841  -25.954 5.035  1.00 0.00 ? 40 ARG A CG   1 
ATOM 660 C CD   . ARG A 1 40 ? -5.695  -27.471 4.890  1.00 0.00 ? 40 ARG A CD   1 
ATOM 661 N NE   . ARG A 1 40 ? -4.317  -27.785 4.421  1.00 0.00 ? 40 ARG A NE   1 
ATOM 662 C CZ   . ARG A 1 40 ? -3.841  -28.988 4.592  1.00 0.00 ? 40 ARG A CZ   1 
ATOM 663 N NH1  . ARG A 1 40 ? -3.575  -29.393 5.804  1.00 0.00 ? 40 ARG A NH1  1 
ATOM 664 N NH2  . ARG A 1 40 ? -3.647  -29.745 3.547  1.00 0.00 ? 40 ARG A NH2  1 
ATOM 665 H H    . ARG A 1 40 ? -4.624  -23.737 5.005  1.00 0.00 ? 40 ARG A H    1 
ATOM 666 H HA   . ARG A 1 40 ? -6.708  -23.384 2.882  1.00 0.00 ? 40 ARG A HA   1 
ATOM 667 H HB2  . ARG A 1 40 ? -7.300  -25.774 3.463  1.00 0.00 ? 40 ARG A HB2  1 
ATOM 668 H HB3  . ARG A 1 40 ? -5.633  -25.617 2.920  1.00 0.00 ? 40 ARG A HB3  1 
ATOM 669 H HG2  . ARG A 1 40 ? -4.887  -25.520 5.295  1.00 0.00 ? 40 ARG A HG2  1 
ATOM 670 H HG3  . ARG A 1 40 ? -6.554  -25.734 5.816  1.00 0.00 ? 40 ARG A HG3  1 
ATOM 671 H HD2  . ARG A 1 40 ? -5.865  -27.949 5.844  1.00 0.00 ? 40 ARG A HD2  1 
ATOM 672 H HD3  . ARG A 1 40 ? -6.411  -27.841 4.172  1.00 0.00 ? 40 ARG A HD3  1 
ATOM 673 H HE   . ARG A 1 40 ? -3.772  -27.094 3.988  1.00 0.00 ? 40 ARG A HE   1 
ATOM 674 H HH11 . ARG A 1 40 ? -3.738  -28.786 6.581  1.00 0.00 ? 40 ARG A HH11 1 
ATOM 675 H HH12 . ARG A 1 40 ? -3.210  -30.312 5.955  1.00 0.00 ? 40 ARG A HH12 1 
ATOM 676 H HH21 . ARG A 1 40 ? -3.863  -29.402 2.634  1.00 0.00 ? 40 ARG A HH21 1 
ATOM 677 H HH22 . ARG A 1 40 ? -3.282  -30.670 3.660  1.00 0.00 ? 40 ARG A HH22 1 
ATOM 678 N N    . ALA A 1 41 ? -7.142  -22.688 5.816  1.00 0.00 ? 41 ALA A N    1 
ATOM 679 C CA   . ALA A 1 41 ? -8.122  -22.321 6.861  1.00 0.00 ? 41 ALA A CA   1 
ATOM 680 C C    . ALA A 1 41 ? -8.790  -23.568 7.418  1.00 0.00 ? 41 ALA A C    1 
ATOM 681 O O    . ALA A 1 41 ? -9.845  -23.969 6.966  1.00 0.00 ? 41 ALA A O    1 
ATOM 682 C CB   . ALA A 1 41 ? -9.196  -21.411 6.239  1.00 0.00 ? 41 ALA A CB   1 
ATOM 683 H H    . ALA A 1 41 ? -6.233  -22.321 5.838  1.00 0.00 ? 41 ALA A H    1 
ATOM 684 H HA   . ALA A 1 41 ? -7.604  -21.812 7.667  1.00 0.00 ? 41 ALA A HA   1 
ATOM 685 H HB1  . ALA A 1 41 ? -9.699  -21.931 5.439  1.00 0.00 ? 41 ALA A HB1  1 
ATOM 686 H HB2  . ALA A 1 41 ? -9.920  -21.133 6.993  1.00 0.00 ? 41 ALA A HB2  1 
ATOM 687 H HB3  . ALA A 1 41 ? -8.733  -20.516 5.847  1.00 0.00 ? 41 ALA A HB3  1 
ATOM 688 N N    . GLN A 1 42 ? -8.159  -24.162 8.393  1.00 0.00 ? 42 GLN A N    1 
ATOM 689 C CA   . GLN A 1 42 ? -8.732  -25.378 8.996  1.00 0.00 ? 42 GLN A CA   1 
ATOM 690 C C    . GLN A 1 42 ? -9.840  -24.977 9.935  1.00 0.00 ? 42 GLN A C    1 
ATOM 691 O O    . GLN A 1 42 ? -9.822  -23.882 10.453 1.00 0.00 ? 42 GLN A O    1 
ATOM 692 C CB   . GLN A 1 42 ? -7.621  -26.080 9.787  1.00 0.00 ? 42 GLN A CB   1 
ATOM 693 C CG   . GLN A 1 42 ? -7.593  -27.559 9.411  1.00 0.00 ? 42 GLN A CG   1 
ATOM 694 C CD   . GLN A 1 42 ? -8.939  -28.195 9.759  1.00 0.00 ? 42 GLN A CD   1 
ATOM 695 O OE1  . GLN A 1 42 ? -9.361  -28.199 10.898 1.00 0.00 ? 42 GLN A OE1  1 
ATOM 696 N NE2  . GLN A 1 42 ? -9.644  -28.743 8.806  1.00 0.00 ? 42 GLN A NE2  1 
ATOM 697 H H    . GLN A 1 42 ? -7.325  -23.789 8.741  1.00 0.00 ? 42 GLN A H    1 
ATOM 698 H HA   . GLN A 1 42 ? -9.131  -26.021 8.213  1.00 0.00 ? 42 GLN A HA   1 
ATOM 699 H HB2  . GLN A 1 42 ? -6.668  -25.629 9.550  1.00 0.00 ? 42 GLN A HB2  1 
ATOM 700 H HB3  . GLN A 1 42 ? -7.806  -25.974 10.841 1.00 0.00 ? 42 GLN A HB3  1 
ATOM 701 H HG2  . GLN A 1 42 ? -7.411  -27.662 8.351  1.00 0.00 ? 42 GLN A HG2  1 
ATOM 702 H HG3  . GLN A 1 42 ? -6.809  -28.060 9.958  1.00 0.00 ? 42 GLN A HG3  1 
ATOM 703 H HE21 . GLN A 1 42 ? -9.308  -28.741 7.886  1.00 0.00 ? 42 GLN A HE21 1 
ATOM 704 H HE22 . GLN A 1 42 ? -10.508 -29.155 9.012  1.00 0.00 ? 42 GLN A HE22 1 
ATOM 705 N N    . CYS A 1 43 ? -10.794 -25.839 10.160 1.00 0.00 ? 43 CYS A N    1 
ATOM 706 C CA   . CYS A 1 43 ? -11.868 -25.421 11.080 1.00 0.00 ? 43 CYS A CA   1 
ATOM 707 C C    . CYS A 1 43 ? -12.632 -26.571 11.703 1.00 0.00 ? 43 CYS A C    1 
ATOM 708 O O    . CYS A 1 43 ? -12.568 -27.702 11.264 1.00 0.00 ? 43 CYS A O    1 
ATOM 709 C CB   . CYS A 1 43 ? -12.857 -24.545 10.288 1.00 0.00 ? 43 CYS A CB   1 
ATOM 710 S SG   . CYS A 1 43 ? -12.167 -23.193 9.298  1.00 0.00 ? 43 CYS A SG   1 
ATOM 711 H H    . CYS A 1 43 ? -10.797 -26.723 9.737  1.00 0.00 ? 43 CYS A H    1 
ATOM 712 H HA   . CYS A 1 43 ? -11.421 -24.854 11.875 1.00 0.00 ? 43 CYS A HA   1 
ATOM 713 H HB2  . CYS A 1 43 ? -13.411 -25.187 9.620  1.00 0.00 ? 43 CYS A HB2  1 
ATOM 714 H HB3  . CYS A 1 43 ? -13.561 -24.116 10.983 1.00 0.00 ? 43 CYS A HB3  1 
ATOM 715 N N    . HIS A 1 44 ? -13.350 -26.224 12.738 1.00 0.00 ? 44 HIS A N    1 
ATOM 716 C CA   . HIS A 1 44 ? -14.162 -27.217 13.470 1.00 0.00 ? 44 HIS A CA   1 
ATOM 717 C C    . HIS A 1 44 ? -15.197 -26.478 14.301 1.00 0.00 ? 44 HIS A C    1 
ATOM 718 O O    . HIS A 1 44 ? -15.120 -25.272 14.430 1.00 0.00 ? 44 HIS A O    1 
ATOM 719 C CB   . HIS A 1 44 ? -13.248 -28.046 14.398 1.00 0.00 ? 44 HIS A CB   1 
ATOM 720 C CG   . HIS A 1 44 ? -12.562 -27.140 15.424 1.00 0.00 ? 44 HIS A CG   1 
ATOM 721 N ND1  . HIS A 1 44 ? -11.397 -26.697 15.323 1.00 0.00 ? 44 HIS A ND1  1 
ATOM 722 C CD2  . HIS A 1 44 ? -13.029 -26.674 16.637 1.00 0.00 ? 44 HIS A CD2  1 
ATOM 723 C CE1  . HIS A 1 44 ? -11.072 -26.006 16.335 1.00 0.00 ? 44 HIS A CE1  1 
ATOM 724 N NE2  . HIS A 1 44 ? -12.054 -25.932 17.235 1.00 0.00 ? 44 HIS A NE2  1 
ATOM 725 H H    . HIS A 1 44 ? -13.356 -25.281 13.028 1.00 0.00 ? 44 HIS A H    1 
ATOM 726 H HA   . HIS A 1 44 ? -14.675 -27.856 12.750 1.00 0.00 ? 44 HIS A HA   1 
ATOM 727 H HB2  . HIS A 1 44 ? -13.836 -28.785 14.920 1.00 0.00 ? 44 HIS A HB2  1 
ATOM 728 H HB3  . HIS A 1 44 ? -12.494 -28.543 13.810 1.00 0.00 ? 44 HIS A HB3  1 
ATOM 729 H HD1  . HIS A 1 44 ? -10.809 -26.865 14.559 1.00 0.00 ? 44 HIS A HD1  1 
ATOM 730 H HD2  . HIS A 1 44 ? -14.008 -26.867 17.047 1.00 0.00 ? 44 HIS A HD2  1 
ATOM 731 H HE1  . HIS A 1 44 ? -10.108 -25.532 16.456 1.00 0.00 ? 44 HIS A HE1  1 
ATOM 732 N N    . SER A 1 45 ? -16.144 -27.197 14.850 1.00 0.00 ? 45 SER A N    1 
ATOM 733 C CA   . SER A 1 45 ? -17.187 -26.518 15.673 1.00 0.00 ? 45 SER A CA   1 
ATOM 734 C C    . SER A 1 45 ? -17.328 -27.145 17.051 1.00 0.00 ? 45 SER A C    1 
ATOM 735 O O    . SER A 1 45 ? -17.625 -28.316 17.181 1.00 0.00 ? 45 SER A O    1 
ATOM 736 C CB   . SER A 1 45 ? -18.530 -26.640 14.940 1.00 0.00 ? 45 SER A CB   1 
ATOM 737 O OG   . SER A 1 45 ? -19.256 -25.490 15.354 1.00 0.00 ? 45 SER A OG   1 
ATOM 738 H H    . SER A 1 45 ? -16.168 -28.168 14.722 1.00 0.00 ? 45 SER A H    1 
ATOM 739 H HA   . SER A 1 45 ? -16.920 -25.472 15.798 1.00 0.00 ? 45 SER A HA   1 
ATOM 740 H HB2  . SER A 1 45 ? -18.385 -26.624 13.870 1.00 0.00 ? 45 SER A HB2  1 
ATOM 741 H HB3  . SER A 1 45 ? -19.050 -27.537 15.238 1.00 0.00 ? 45 SER A HB3  1 
ATOM 742 H HG   . SER A 1 45 ? -19.441 -25.577 16.292 1.00 0.00 ? 45 SER A HG   1 
ATOM 743 N N    . VAL A 1 46 ? -17.101 -26.335 18.054 1.00 0.00 ? 46 VAL A N    1 
ATOM 744 C CA   . VAL A 1 46 ? -17.208 -26.817 19.453 1.00 0.00 ? 46 VAL A CA   1 
ATOM 745 C C    . VAL A 1 46 ? -18.323 -26.012 20.176 1.00 0.00 ? 46 VAL A C    1 
ATOM 746 O O    . VAL A 1 46 ? -18.172 -24.822 20.367 1.00 0.00 ? 46 VAL A O    1 
ATOM 747 C CB   . VAL A 1 46 ? -15.870 -26.528 20.161 1.00 0.00 ? 46 VAL A CB   1 
ATOM 748 C CG1  . VAL A 1 46 ? -16.095 -26.515 21.675 1.00 0.00 ? 46 VAL A CG1  1 
ATOM 749 C CG2  . VAL A 1 46 ? -14.863 -27.627 19.813 1.00 0.00 ? 46 VAL A CG2  1 
ATOM 750 H H    . VAL A 1 46 ? -16.854 -25.404 17.879 1.00 0.00 ? 46 VAL A H    1 
ATOM 751 H HA   . VAL A 1 46 ? -17.423 -27.871 19.449 1.00 0.00 ? 46 VAL A HA   1 
ATOM 752 H HB   . VAL A 1 46 ? -15.488 -25.569 19.841 1.00 0.00 ? 46 VAL A HB   1 
ATOM 753 H HG11 . VAL A 1 46 ? -16.846 -27.245 21.939 1.00 0.00 ? 46 VAL A HG11 1 
ATOM 754 H HG12 . VAL A 1 46 ? -15.174 -26.756 22.184 1.00 0.00 ? 46 VAL A HG12 1 
ATOM 755 H HG13 . VAL A 1 46 ? -16.427 -25.535 21.986 1.00 0.00 ? 46 VAL A HG13 1 
ATOM 756 H HG21 . VAL A 1 46 ? -15.076 -28.019 18.829 1.00 0.00 ? 46 VAL A HG21 1 
ATOM 757 H HG22 . VAL A 1 46 ? -13.861 -27.222 19.825 1.00 0.00 ? 46 VAL A HG22 1 
ATOM 758 H HG23 . VAL A 1 46 ? -14.931 -28.427 20.536 1.00 0.00 ? 46 VAL A HG23 1 
ATOM 759 N N    . PRO A 1 47 ? -19.435 -26.655 20.576 1.00 0.00 ? 47 PRO A N    1 
ATOM 760 C CA   . PRO A 1 47 ? -20.500 -25.924 21.255 1.00 0.00 ? 47 PRO A CA   1 
ATOM 761 C C    . PRO A 1 47 ? -20.015 -25.312 22.559 1.00 0.00 ? 47 PRO A C    1 
ATOM 762 O O    . PRO A 1 47 ? -18.891 -25.521 22.970 1.00 0.00 ? 47 PRO A O    1 
ATOM 763 C CB   . PRO A 1 47 ? -21.588 -26.969 21.553 1.00 0.00 ? 47 PRO A CB   1 
ATOM 764 C CG   . PRO A 1 47 ? -21.077 -28.340 21.018 1.00 0.00 ? 47 PRO A CG   1 
ATOM 765 C CD   . PRO A 1 47 ? -19.687 -28.102 20.404 1.00 0.00 ? 47 PRO A CD   1 
ATOM 766 H HA   . PRO A 1 47 ? -20.879 -25.143 20.601 1.00 0.00 ? 47 PRO A HA   1 
ATOM 767 H HB2  . PRO A 1 47 ? -21.761 -27.023 22.617 1.00 0.00 ? 47 PRO A HB2  1 
ATOM 768 H HB3  . PRO A 1 47 ? -22.506 -26.698 21.053 1.00 0.00 ? 47 PRO A HB3  1 
ATOM 769 H HG2  . PRO A 1 47 ? -21.005 -29.049 21.830 1.00 0.00 ? 47 PRO A HG2  1 
ATOM 770 H HG3  . PRO A 1 47 ? -21.753 -28.719 20.267 1.00 0.00 ? 47 PRO A HG3  1 
ATOM 771 H HD2  . PRO A 1 47 ? -18.943 -28.678 20.936 1.00 0.00 ? 47 PRO A HD2  1 
ATOM 772 H HD3  . PRO A 1 47 ? -19.687 -28.361 19.355 1.00 0.00 ? 47 PRO A HD3  1 
ATOM 773 N N    . VAL A 1 48 ? -20.877 -24.566 23.187 1.00 0.00 ? 48 VAL A N    1 
ATOM 774 C CA   . VAL A 1 48 ? -20.494 -23.925 24.470 1.00 0.00 ? 48 VAL A CA   1 
ATOM 775 C C    . VAL A 1 48 ? -20.596 -24.914 25.626 1.00 0.00 ? 48 VAL A C    1 
ATOM 776 O O    . VAL A 1 48 ? -19.871 -24.815 26.596 1.00 0.00 ? 48 VAL A O    1 
ATOM 777 C CB   . VAL A 1 48 ? -21.455 -22.759 24.731 1.00 0.00 ? 48 VAL A CB   1 
ATOM 778 C CG1  . VAL A 1 48 ? -22.837 -23.313 25.084 1.00 0.00 ? 48 VAL A CG1  1 
ATOM 779 C CG2  . VAL A 1 48 ? -20.932 -21.927 25.904 1.00 0.00 ? 48 VAL A CG2  1 
ATOM 780 H H    . VAL A 1 48 ? -21.774 -24.428 22.811 1.00 0.00 ? 48 VAL A H    1 
ATOM 781 H HA   . VAL A 1 48 ? -19.468 -23.569 24.395 1.00 0.00 ? 48 VAL A HA   1 
ATOM 782 H HB   . VAL A 1 48 ? -21.523 -22.144 23.850 1.00 0.00 ? 48 VAL A HB   1 
ATOM 783 H HG11 . VAL A 1 48 ? -23.046 -24.185 24.482 1.00 0.00 ? 48 VAL A HG11 1 
ATOM 784 H HG12 . VAL A 1 48 ? -22.864 -23.588 26.129 1.00 0.00 ? 48 VAL A HG12 1 
ATOM 785 H HG13 . VAL A 1 48 ? -23.590 -22.562 24.894 1.00 0.00 ? 48 VAL A HG13 1 
ATOM 786 H HG21 . VAL A 1 48 ? -20.781 -22.563 26.764 1.00 0.00 ? 48 VAL A HG21 1 
ATOM 787 H HG22 . VAL A 1 48 ? -19.993 -21.467 25.634 1.00 0.00 ? 48 VAL A HG22 1 
ATOM 788 H HG23 . VAL A 1 48 ? -21.646 -21.157 26.153 1.00 0.00 ? 48 VAL A HG23 1 
ATOM 789 N N    . LYS A 1 49 ? -21.496 -25.851 25.504 1.00 0.00 ? 49 LYS A N    1 
ATOM 790 C CA   . LYS A 1 49 ? -21.658 -26.853 26.586 1.00 0.00 ? 49 LYS A CA   1 
ATOM 791 C C    . LYS A 1 49 ? -20.468 -27.804 26.631 1.00 0.00 ? 49 LYS A C    1 
ATOM 792 O O    . LYS A 1 49 ? -20.236 -28.555 25.705 1.00 0.00 ? 49 LYS A O    1 
ATOM 793 C CB   . LYS A 1 49 ? -22.931 -27.667 26.305 1.00 0.00 ? 49 LYS A CB   1 
ATOM 794 C CG   . LYS A 1 49 ? -24.075 -27.123 27.164 1.00 0.00 ? 49 LYS A CG   1 
ATOM 795 C CD   . LYS A 1 49 ? -25.397 -27.715 26.672 1.00 0.00 ? 49 LYS A CD   1 
ATOM 796 C CE   . LYS A 1 49 ? -26.437 -27.625 27.791 1.00 0.00 ? 49 LYS A CE   1 
ATOM 797 N NZ   . LYS A 1 49 ? -27.811 -27.787 27.239 1.00 0.00 ? 49 LYS A NZ   1 
ATOM 798 H H    . LYS A 1 49 ? -22.061 -25.892 24.704 1.00 0.00 ? 49 LYS A H    1 
ATOM 799 H HA   . LYS A 1 49 ? -21.733 -26.334 27.542 1.00 0.00 ? 49 LYS A HA   1 
ATOM 800 H HB2  . LYS A 1 49 ? -23.191 -27.583 25.260 1.00 0.00 ? 49 LYS A HB2  1 
ATOM 801 H HB3  . LYS A 1 49 ? -22.758 -28.706 26.545 1.00 0.00 ? 49 LYS A HB3  1 
ATOM 802 H HG2  . LYS A 1 49 ? -23.916 -27.396 28.196 1.00 0.00 ? 49 LYS A HG2  1 
ATOM 803 H HG3  . LYS A 1 49 ? -24.108 -26.046 27.084 1.00 0.00 ? 49 LYS A HG3  1 
ATOM 804 H HD2  . LYS A 1 49 ? -25.743 -27.165 25.809 1.00 0.00 ? 49 LYS A HD2  1 
ATOM 805 H HD3  . LYS A 1 49 ? -25.251 -28.750 26.396 1.00 0.00 ? 49 LYS A HD3  1 
ATOM 806 H HE2  . LYS A 1 49 ? -26.255 -28.403 28.517 1.00 0.00 ? 49 LYS A HE2  1 
ATOM 807 H HE3  . LYS A 1 49 ? -26.363 -26.664 28.278 1.00 0.00 ? 49 LYS A HE3  1 
ATOM 808 H HZ1  . LYS A 1 49 ? -27.856 -27.360 26.292 1.00 0.00 ? 49 LYS A HZ1  1 
ATOM 809 H HZ2  . LYS A 1 49 ? -28.041 -28.799 27.173 1.00 0.00 ? 49 LYS A HZ2  1 
ATOM 810 H HZ3  . LYS A 1 49 ? -28.494 -27.316 27.866 1.00 0.00 ? 49 LYS A HZ3  1 
ATOM 811 N N    . SER A 1 50 ? -19.734 -27.756 27.709 1.00 0.00 ? 50 SER A N    1 
ATOM 812 C CA   . SER A 1 50 ? -18.557 -28.651 27.829 1.00 0.00 ? 50 SER A CA   1 
ATOM 813 C C    . SER A 1 50 ? -18.282 -28.996 29.287 1.00 0.00 ? 50 SER A C    1 
ATOM 814 O O    . SER A 1 50 ? -18.047 -28.058 30.032 1.00 0.00 ? 50 SER A O    1 
ATOM 815 C CB   . SER A 1 50 ? -17.333 -27.922 27.255 1.00 0.00 ? 50 SER A CB   1 
ATOM 816 O OG   . SER A 1 50 ? -16.598 -28.944 26.599 1.00 0.00 ? 50 SER A OG   1 
ATOM 817 O OXT  . SER A 1 50 ? -18.319 -30.181 29.579 1.00 0.00 ? 50 SER A OXT  1 
ATOM 818 H H    . SER A 1 50 ? -19.959 -27.134 28.433 1.00 0.00 ? 50 SER A H    1 
ATOM 819 H HA   . SER A 1 50 ? -18.753 -29.570 27.278 1.00 0.00 ? 50 SER A HA   1 
ATOM 820 H HB2  . SER A 1 50 ? -17.636 -27.165 26.547 1.00 0.00 ? 50 SER A HB2  1 
ATOM 821 H HB3  . SER A 1 50 ? -16.743 -27.484 28.046 1.00 0.00 ? 50 SER A HB3  1 
ATOM 822 H HG   . SER A 1 50 ? -16.071 -29.401 27.259 1.00 0.00 ? 50 SER A HG   1 
# 
