data_9CEA
# 
_entry.id   9CEA 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.404 
_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   9CEA         pdb_00009cea 10.2210/pdb9cea/pdb 
WWPDB D_1000285317 ?            ?                   
# 
_pdbx_audit_revision_history.ordinal             1 
_pdbx_audit_revision_history.data_content_type   'Structure model' 
_pdbx_audit_revision_history.major_revision      1 
_pdbx_audit_revision_history.minor_revision      0 
_pdbx_audit_revision_history.revision_date       2025-06-11 
_pdbx_audit_revision_history.part_number         ? 
# 
_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             ? 
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        9CEA 
_pdbx_database_status.recvd_initial_deposition_date   2024-06-26 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    RCSB 
_pdbx_database_status.process_site                    RCSB 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           Y 
# 
_pdbx_database_related.db_name        PDB 
_pdbx_database_related.details        'Crystal structure of HP1alpha chromoshadow domain in complex with KAP1 peptide' 
_pdbx_database_related.db_id          9CDW 
_pdbx_database_related.content_type   unspecified 
# 
_pdbx_contact_author.id                 3 
_pdbx_contact_author.email              tatiana.kutateladze@cuanschutz.edu 
_pdbx_contact_author.name_first         Tatiana 
_pdbx_contact_author.name_last          Kutateladze 
_pdbx_contact_author.name_mi            G 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0001-7375-6990 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Selvam, K.'        1 ? 
'Gaurav, N.'        2 ? 
'Kutateladze, T.G.' 3 ? 
# 
_citation.abstract                  ? 
_citation.abstract_id_CAS           ? 
_citation.book_id_ISBN              ? 
_citation.book_publisher            ? 
_citation.book_publisher_city       ? 
_citation.book_title                ? 
_citation.coordinate_linkage        ? 
_citation.country                   UK 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            'Nat Commun' 
_citation.journal_id_ASTM           ? 
_citation.journal_id_CSD            ? 
_citation.journal_id_ISSN           2041-1723 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            16 
_citation.language                  ? 
_citation.page_first                5066 
_citation.page_last                 5066 
_citation.title                     
'The HP1 box of KAP1 organizes HP1 alpha for silencing of endogenous retroviral elements in embryonic stem cells.' 
_citation.year                      2025 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1038/s41467-025-60279-2 
_citation.pdbx_database_id_PubMed   40450002 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Gaurav, N.'         1  0000-0001-6567-758X 
primary 
;O'Hara, R.
;
2  0000-0002-0188-0316 
primary 'Hyder, U.'          3  0000-0002-7655-1533 
primary 'Qin, W.'            4  ?                   
primary 'Her, C.'            5  ?                   
primary 'Romero, H.'         6  0000-0002-2521-0034 
primary 'Kumar, A.'          7  0000-0001-7740-9881 
primary 'Marcaida, M.J.'     8  0000-0003-0663-5309 
primary 'Singh, R.K.'        9  ?                   
primary 'Hovius, R.'         10 ?                   
primary 'Selvam, K.'         11 0000-0001-6140-0129 
primary 'Liu, J.'            12 ?                   
primary 'Martire, S.'        13 0000-0002-1570-3476 
primary 'Yao, Y.'            14 0009-0006-5950-3245 
primary 'Challa, A.'         15 ?                   
primary 'Dal Peraro, M.'     16 0000-0002-2973-3975 
primary 'Fierz, B.'          17 0000-0002-2991-3044 
primary 'Kono, H.'           18 0000-0001-5729-8707 
primary 'Cardoso, M.C.'      19 0000-0001-8427-8859 
primary 'Debelouchina, G.T.' 20 0000-0001-6775-9415 
primary 'Leonhardt, H.'      21 0000-0002-5086-6449 
primary 
;D'Orso, I.
;
22 0000-0002-1409-2351 
primary 'Banaszynski, L.A.'  23 0000-0002-5189-8848 
primary 'Kutateladze, T.G.'  24 0000-0001-7375-6990 
# 
loop_
_entity.id 
_entity.type 
_entity.src_method 
_entity.pdbx_description 
_entity.formula_weight 
_entity.pdbx_number_of_molecules 
_entity.pdbx_ec 
_entity.pdbx_mutation 
_entity.pdbx_fragment 
_entity.details 
1 polymer man 'Chromobox protein homolog 5' 7222.320 4   ? ? ? ? 
2 water   nat water                         18.015   107 ? ? ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        'Antigen p25,Heterochromatin protein 1 homolog alpha,HP1 alpha' 
# 
_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       IARGFERGLEPEKIIGATDSCGDLMFLMKWKDTDEADLVLAKEANVKCPQIVIAFYEERLTWH 
_entity_poly.pdbx_seq_one_letter_code_can   IARGFERGLEPEKIIGATDSCGDLMFLMKWKDTDEADLVLAKEANVKCPQIVIAFYEERLTWH 
_entity_poly.pdbx_strand_id                 A,B,C,D 
_entity_poly.pdbx_target_identifier         ? 
# 
_pdbx_entity_nonpoly.entity_id   2 
_pdbx_entity_nonpoly.name        water 
_pdbx_entity_nonpoly.comp_id     HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1  ILE n 
1 2  ALA n 
1 3  ARG n 
1 4  GLY n 
1 5  PHE n 
1 6  GLU n 
1 7  ARG n 
1 8  GLY n 
1 9  LEU n 
1 10 GLU n 
1 11 PRO n 
1 12 GLU n 
1 13 LYS n 
1 14 ILE n 
1 15 ILE n 
1 16 GLY n 
1 17 ALA n 
1 18 THR n 
1 19 ASP n 
1 20 SER n 
1 21 CYS n 
1 22 GLY n 
1 23 ASP n 
1 24 LEU n 
1 25 MET n 
1 26 PHE n 
1 27 LEU n 
1 28 MET n 
1 29 LYS n 
1 30 TRP n 
1 31 LYS n 
1 32 ASP n 
1 33 THR n 
1 34 ASP n 
1 35 GLU n 
1 36 ALA n 
1 37 ASP n 
1 38 LEU n 
1 39 VAL n 
1 40 LEU n 
1 41 ALA n 
1 42 LYS n 
1 43 GLU n 
1 44 ALA n 
1 45 ASN n 
1 46 VAL n 
1 47 LYS n 
1 48 CYS n 
1 49 PRO n 
1 50 GLN n 
1 51 ILE n 
1 52 VAL n 
1 53 ILE n 
1 54 ALA n 
1 55 PHE n 
1 56 TYR n 
1 57 GLU n 
1 58 GLU n 
1 59 ARG n 
1 60 LEU n 
1 61 THR n 
1 62 TRP n 
1 63 HIS 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                      'Biological sequence' 
_entity_src_gen.pdbx_beg_seq_num                   1 
_entity_src_gen.pdbx_end_seq_num                   63 
_entity_src_gen.gene_src_common_name               human 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 'CBX5, HP1A' 
_entity_src_gen.gene_src_species                   ? 
_entity_src_gen.gene_src_strain                    ? 
_entity_src_gen.gene_src_tissue                    ? 
_entity_src_gen.gene_src_tissue_fraction           ? 
_entity_src_gen.gene_src_details                   ? 
_entity_src_gen.pdbx_gene_src_fragment             ? 
_entity_src_gen.pdbx_gene_src_scientific_name      'Homo sapiens' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     9606 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      'Escherichia coli' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     562 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
ALA 'L-peptide linking' y ALANINE         ? 'C3 H7 N O2'     89.093  
ARG 'L-peptide linking' y ARGININE        ? 'C6 H15 N4 O2 1' 175.209 
ASN 'L-peptide linking' y ASPARAGINE      ? 'C4 H8 N2 O3'    132.118 
ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4'     133.103 
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 
HOH non-polymer         . WATER           ? 'H2 O'           18.015  
ILE 'L-peptide linking' y ISOLEUCINE      ? 'C6 H13 N O2'    131.173 
LEU 'L-peptide linking' y LEUCINE         ? 'C6 H13 N O2'    131.173 
LYS 'L-peptide linking' y LYSINE          ? 'C6 H15 N2 O2 1' 147.195 
MET 'L-peptide linking' y METHIONINE      ? 'C5 H11 N O2 S'  149.211 
PHE 'L-peptide linking' y PHENYLALANINE   ? 'C9 H11 N O2'    165.189 
PRO 'L-peptide linking' y PROLINE         ? 'C5 H9 N O2'     115.130 
SER 'L-peptide linking' y SERINE          ? 'C3 H7 N O3'     105.093 
THR 'L-peptide linking' y THREONINE       ? 'C4 H9 N O3'     119.119 
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  ILE 1  113 ?   ?   ?   A . n 
A 1 2  ALA 2  114 114 ALA ALA A . n 
A 1 3  ARG 3  115 115 ARG ARG A . n 
A 1 4  GLY 4  116 116 GLY GLY A . n 
A 1 5  PHE 5  117 117 PHE PHE A . n 
A 1 6  GLU 6  118 118 GLU GLU A . n 
A 1 7  ARG 7  119 119 ARG ARG A . n 
A 1 8  GLY 8  120 120 GLY GLY A . n 
A 1 9  LEU 9  121 121 LEU LEU A . n 
A 1 10 GLU 10 122 122 GLU GLU A . n 
A 1 11 PRO 11 123 123 PRO PRO A . n 
A 1 12 GLU 12 124 124 GLU GLU A . n 
A 1 13 LYS 13 125 125 LYS LYS A . n 
A 1 14 ILE 14 126 126 ILE ILE A . n 
A 1 15 ILE 15 127 127 ILE ILE A . n 
A 1 16 GLY 16 128 128 GLY GLY A . n 
A 1 17 ALA 17 129 129 ALA ALA A . n 
A 1 18 THR 18 130 130 THR THR A . n 
A 1 19 ASP 19 131 131 ASP ASP A . n 
A 1 20 SER 20 132 132 SER SER A . n 
A 1 21 CYS 21 133 133 CYS CYS A . n 
A 1 22 GLY 22 134 134 GLY GLY A . n 
A 1 23 ASP 23 135 135 ASP ASP A . n 
A 1 24 LEU 24 136 136 LEU LEU A . n 
A 1 25 MET 25 137 137 MET MET A . n 
A 1 26 PHE 26 138 138 PHE PHE A . n 
A 1 27 LEU 27 139 139 LEU LEU A . n 
A 1 28 MET 28 140 140 MET MET A . n 
A 1 29 LYS 29 141 141 LYS LYS A . n 
A 1 30 TRP 30 142 142 TRP TRP A . n 
A 1 31 LYS 31 143 143 LYS LYS A . n 
A 1 32 ASP 32 144 144 ASP ASP A . n 
A 1 33 THR 33 145 145 THR THR A . n 
A 1 34 ASP 34 146 146 ASP ASP A . n 
A 1 35 GLU 35 147 147 GLU GLU A . n 
A 1 36 ALA 36 148 148 ALA ALA A . n 
A 1 37 ASP 37 149 149 ASP ASP A . n 
A 1 38 LEU 38 150 150 LEU LEU A . n 
A 1 39 VAL 39 151 151 VAL VAL A . n 
A 1 40 LEU 40 152 152 LEU LEU A . n 
A 1 41 ALA 41 153 153 ALA ALA A . n 
A 1 42 LYS 42 154 154 LYS LYS A . n 
A 1 43 GLU 43 155 155 GLU GLU A . n 
A 1 44 ALA 44 156 156 ALA ALA A . n 
A 1 45 ASN 45 157 157 ASN ASN A . n 
A 1 46 VAL 46 158 158 VAL VAL A . n 
A 1 47 LYS 47 159 159 LYS LYS A . n 
A 1 48 CYS 48 160 160 CYS CYS A . n 
A 1 49 PRO 49 161 161 PRO PRO A . n 
A 1 50 GLN 50 162 162 GLN GLN A . n 
A 1 51 ILE 51 163 163 ILE ILE A . n 
A 1 52 VAL 52 164 164 VAL VAL A . n 
A 1 53 ILE 53 165 165 ILE ILE A . n 
A 1 54 ALA 54 166 166 ALA ALA A . n 
A 1 55 PHE 55 167 167 PHE PHE A . n 
A 1 56 TYR 56 168 168 TYR TYR A . n 
A 1 57 GLU 57 169 169 GLU GLU A . n 
A 1 58 GLU 58 170 170 GLU GLU A . n 
A 1 59 ARG 59 171 171 ARG ARG A . n 
A 1 60 LEU 60 172 172 LEU LEU A . n 
A 1 61 THR 61 173 173 THR THR A . n 
A 1 62 TRP 62 174 ?   ?   ?   A . n 
A 1 63 HIS 63 175 ?   ?   ?   A . n 
B 1 1  ILE 1  113 ?   ?   ?   B . n 
B 1 2  ALA 2  114 114 ALA ALA B . n 
B 1 3  ARG 3  115 115 ARG ARG B . n 
B 1 4  GLY 4  116 116 GLY GLY B . n 
B 1 5  PHE 5  117 117 PHE PHE B . n 
B 1 6  GLU 6  118 118 GLU GLU B . n 
B 1 7  ARG 7  119 119 ARG ARG B . n 
B 1 8  GLY 8  120 120 GLY GLY B . n 
B 1 9  LEU 9  121 121 LEU LEU B . n 
B 1 10 GLU 10 122 122 GLU GLU B . n 
B 1 11 PRO 11 123 123 PRO PRO B . n 
B 1 12 GLU 12 124 124 GLU GLU B . n 
B 1 13 LYS 13 125 125 LYS LYS B . n 
B 1 14 ILE 14 126 126 ILE ILE B . n 
B 1 15 ILE 15 127 127 ILE ILE B . n 
B 1 16 GLY 16 128 128 GLY GLY B . n 
B 1 17 ALA 17 129 129 ALA ALA B . n 
B 1 18 THR 18 130 130 THR THR B . n 
B 1 19 ASP 19 131 131 ASP ASP B . n 
B 1 20 SER 20 132 132 SER SER B . n 
B 1 21 CYS 21 133 133 CYS CYS B . n 
B 1 22 GLY 22 134 134 GLY GLY B . n 
B 1 23 ASP 23 135 135 ASP ASP B . n 
B 1 24 LEU 24 136 136 LEU LEU B . n 
B 1 25 MET 25 137 137 MET MET B . n 
B 1 26 PHE 26 138 138 PHE PHE B . n 
B 1 27 LEU 27 139 139 LEU LEU B . n 
B 1 28 MET 28 140 140 MET MET B . n 
B 1 29 LYS 29 141 141 LYS LYS B . n 
B 1 30 TRP 30 142 142 TRP TRP B . n 
B 1 31 LYS 31 143 143 LYS LYS B . n 
B 1 32 ASP 32 144 144 ASP ASP B . n 
B 1 33 THR 33 145 145 THR THR B . n 
B 1 34 ASP 34 146 146 ASP ASP B . n 
B 1 35 GLU 35 147 147 GLU GLU B . n 
B 1 36 ALA 36 148 148 ALA ALA B . n 
B 1 37 ASP 37 149 149 ASP ASP B . n 
B 1 38 LEU 38 150 150 LEU LEU B . n 
B 1 39 VAL 39 151 151 VAL VAL B . n 
B 1 40 LEU 40 152 152 LEU LEU B . n 
B 1 41 ALA 41 153 153 ALA ALA B . n 
B 1 42 LYS 42 154 154 LYS LYS B . n 
B 1 43 GLU 43 155 155 GLU GLU B . n 
B 1 44 ALA 44 156 156 ALA ALA B . n 
B 1 45 ASN 45 157 157 ASN ASN B . n 
B 1 46 VAL 46 158 158 VAL VAL B . n 
B 1 47 LYS 47 159 159 LYS LYS B . n 
B 1 48 CYS 48 160 160 CYS CYS B . n 
B 1 49 PRO 49 161 161 PRO PRO B . n 
B 1 50 GLN 50 162 162 GLN GLN B . n 
B 1 51 ILE 51 163 163 ILE ILE B . n 
B 1 52 VAL 52 164 164 VAL VAL B . n 
B 1 53 ILE 53 165 165 ILE ILE B . n 
B 1 54 ALA 54 166 166 ALA ALA B . n 
B 1 55 PHE 55 167 167 PHE PHE B . n 
B 1 56 TYR 56 168 168 TYR TYR B . n 
B 1 57 GLU 57 169 169 GLU GLU B . n 
B 1 58 GLU 58 170 170 GLU GLU B . n 
B 1 59 ARG 59 171 171 ARG ARG B . n 
B 1 60 LEU 60 172 172 LEU LEU B . n 
B 1 61 THR 61 173 173 THR THR B . n 
B 1 62 TRP 62 174 ?   ?   ?   B . n 
B 1 63 HIS 63 175 ?   ?   ?   B . n 
C 1 1  ILE 1  113 ?   ?   ?   C . n 
C 1 2  ALA 2  114 114 ALA ALA C . n 
C 1 3  ARG 3  115 115 ARG ARG C . n 
C 1 4  GLY 4  116 116 GLY GLY C . n 
C 1 5  PHE 5  117 117 PHE PHE C . n 
C 1 6  GLU 6  118 118 GLU GLU C . n 
C 1 7  ARG 7  119 119 ARG ARG C . n 
C 1 8  GLY 8  120 120 GLY GLY C . n 
C 1 9  LEU 9  121 121 LEU LEU C . n 
C 1 10 GLU 10 122 122 GLU GLU C . n 
C 1 11 PRO 11 123 123 PRO PRO C . n 
C 1 12 GLU 12 124 124 GLU GLU C . n 
C 1 13 LYS 13 125 125 LYS LYS C . n 
C 1 14 ILE 14 126 126 ILE ILE C . n 
C 1 15 ILE 15 127 127 ILE ILE C . n 
C 1 16 GLY 16 128 128 GLY GLY C . n 
C 1 17 ALA 17 129 129 ALA ALA C . n 
C 1 18 THR 18 130 130 THR THR C . n 
C 1 19 ASP 19 131 131 ASP ASP C . n 
C 1 20 SER 20 132 132 SER SER C . n 
C 1 21 CYS 21 133 133 CYS CYS C . n 
C 1 22 GLY 22 134 134 GLY GLY C . n 
C 1 23 ASP 23 135 135 ASP ASP C . n 
C 1 24 LEU 24 136 136 LEU LEU C . n 
C 1 25 MET 25 137 137 MET MET C . n 
C 1 26 PHE 26 138 138 PHE PHE C . n 
C 1 27 LEU 27 139 139 LEU LEU C . n 
C 1 28 MET 28 140 140 MET MET C . n 
C 1 29 LYS 29 141 141 LYS LYS C . n 
C 1 30 TRP 30 142 142 TRP TRP C . n 
C 1 31 LYS 31 143 143 LYS LYS C . n 
C 1 32 ASP 32 144 144 ASP ASP C . n 
C 1 33 THR 33 145 145 THR THR C . n 
C 1 34 ASP 34 146 146 ASP ASP C . n 
C 1 35 GLU 35 147 147 GLU GLU C . n 
C 1 36 ALA 36 148 148 ALA ALA C . n 
C 1 37 ASP 37 149 149 ASP ASP C . n 
C 1 38 LEU 38 150 150 LEU LEU C . n 
C 1 39 VAL 39 151 151 VAL VAL C . n 
C 1 40 LEU 40 152 152 LEU LEU C . n 
C 1 41 ALA 41 153 153 ALA ALA C . n 
C 1 42 LYS 42 154 154 LYS LYS C . n 
C 1 43 GLU 43 155 155 GLU GLU C . n 
C 1 44 ALA 44 156 156 ALA ALA C . n 
C 1 45 ASN 45 157 157 ASN ASN C . n 
C 1 46 VAL 46 158 158 VAL VAL C . n 
C 1 47 LYS 47 159 159 LYS LYS C . n 
C 1 48 CYS 48 160 160 CYS CYS C . n 
C 1 49 PRO 49 161 161 PRO PRO C . n 
C 1 50 GLN 50 162 162 GLN GLN C . n 
C 1 51 ILE 51 163 163 ILE ILE C . n 
C 1 52 VAL 52 164 164 VAL VAL C . n 
C 1 53 ILE 53 165 165 ILE ILE C . n 
C 1 54 ALA 54 166 166 ALA ALA C . n 
C 1 55 PHE 55 167 167 PHE PHE C . n 
C 1 56 TYR 56 168 168 TYR TYR C . n 
C 1 57 GLU 57 169 169 GLU GLU C . n 
C 1 58 GLU 58 170 170 GLU GLU C . n 
C 1 59 ARG 59 171 171 ARG ARG C . n 
C 1 60 LEU 60 172 172 LEU LEU C . n 
C 1 61 THR 61 173 173 THR THR C . n 
C 1 62 TRP 62 174 174 TRP TRP C . n 
C 1 63 HIS 63 175 175 HIS HIS C . n 
D 1 1  ILE 1  113 113 ILE ILE D . n 
D 1 2  ALA 2  114 114 ALA ALA D . n 
D 1 3  ARG 3  115 115 ARG ARG D . n 
D 1 4  GLY 4  116 116 GLY GLY D . n 
D 1 5  PHE 5  117 117 PHE PHE D . n 
D 1 6  GLU 6  118 118 GLU GLU D . n 
D 1 7  ARG 7  119 119 ARG ARG D . n 
D 1 8  GLY 8  120 120 GLY GLY D . n 
D 1 9  LEU 9  121 121 LEU LEU D . n 
D 1 10 GLU 10 122 122 GLU GLU D . n 
D 1 11 PRO 11 123 123 PRO PRO D . n 
D 1 12 GLU 12 124 124 GLU GLU D . n 
D 1 13 LYS 13 125 125 LYS LYS D . n 
D 1 14 ILE 14 126 126 ILE ILE D . n 
D 1 15 ILE 15 127 127 ILE ILE D . n 
D 1 16 GLY 16 128 128 GLY GLY D . n 
D 1 17 ALA 17 129 129 ALA ALA D . n 
D 1 18 THR 18 130 130 THR THR D . n 
D 1 19 ASP 19 131 131 ASP ASP D . n 
D 1 20 SER 20 132 132 SER SER D . n 
D 1 21 CYS 21 133 133 CYS CYS D . n 
D 1 22 GLY 22 134 134 GLY GLY D . n 
D 1 23 ASP 23 135 135 ASP ASP D . n 
D 1 24 LEU 24 136 136 LEU LEU D . n 
D 1 25 MET 25 137 137 MET MET D . n 
D 1 26 PHE 26 138 138 PHE PHE D . n 
D 1 27 LEU 27 139 139 LEU LEU D . n 
D 1 28 MET 28 140 140 MET MET D . n 
D 1 29 LYS 29 141 141 LYS LYS D . n 
D 1 30 TRP 30 142 142 TRP TRP D . n 
D 1 31 LYS 31 143 143 LYS LYS D . n 
D 1 32 ASP 32 144 144 ASP ASP D . n 
D 1 33 THR 33 145 145 THR THR D . n 
D 1 34 ASP 34 146 146 ASP ASP D . n 
D 1 35 GLU 35 147 147 GLU GLU D . n 
D 1 36 ALA 36 148 148 ALA ALA D . n 
D 1 37 ASP 37 149 149 ASP ASP D . n 
D 1 38 LEU 38 150 150 LEU LEU D . n 
D 1 39 VAL 39 151 151 VAL VAL D . n 
D 1 40 LEU 40 152 152 LEU LEU D . n 
D 1 41 ALA 41 153 153 ALA ALA D . n 
D 1 42 LYS 42 154 154 LYS LYS D . n 
D 1 43 GLU 43 155 155 GLU GLU D . n 
D 1 44 ALA 44 156 156 ALA ALA D . n 
D 1 45 ASN 45 157 157 ASN ASN D . n 
D 1 46 VAL 46 158 158 VAL VAL D . n 
D 1 47 LYS 47 159 159 LYS LYS D . n 
D 1 48 CYS 48 160 160 CYS CYS D . n 
D 1 49 PRO 49 161 161 PRO PRO D . n 
D 1 50 GLN 50 162 162 GLN GLN D . n 
D 1 51 ILE 51 163 163 ILE ILE D . n 
D 1 52 VAL 52 164 164 VAL VAL D . n 
D 1 53 ILE 53 165 165 ILE ILE D . n 
D 1 54 ALA 54 166 166 ALA ALA D . n 
D 1 55 PHE 55 167 167 PHE PHE D . n 
D 1 56 TYR 56 168 168 TYR TYR D . n 
D 1 57 GLU 57 169 169 GLU GLU D . n 
D 1 58 GLU 58 170 170 GLU GLU D . n 
D 1 59 ARG 59 171 171 ARG ARG D . n 
D 1 60 LEU 60 172 172 LEU LEU D . n 
D 1 61 THR 61 173 173 THR THR D . n 
D 1 62 TRP 62 174 ?   ?   ?   D . n 
D 1 63 HIS 63 175 ?   ?   ?   D . n 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
E 2 HOH 1  201 58  HOH HOH A . 
E 2 HOH 2  202 68  HOH HOH A . 
E 2 HOH 3  203 45  HOH HOH A . 
E 2 HOH 4  204 6   HOH HOH A . 
E 2 HOH 5  205 1   HOH HOH A . 
E 2 HOH 6  206 53  HOH HOH A . 
E 2 HOH 7  207 18  HOH HOH A . 
E 2 HOH 8  208 52  HOH HOH A . 
E 2 HOH 9  209 37  HOH HOH A . 
E 2 HOH 10 210 30  HOH HOH A . 
E 2 HOH 11 211 5   HOH HOH A . 
E 2 HOH 12 212 40  HOH HOH A . 
E 2 HOH 13 213 25  HOH HOH A . 
E 2 HOH 14 214 44  HOH HOH A . 
E 2 HOH 15 215 49  HOH HOH A . 
E 2 HOH 16 216 64  HOH HOH A . 
E 2 HOH 17 217 12  HOH HOH A . 
E 2 HOH 18 218 77  HOH HOH A . 
E 2 HOH 19 219 46  HOH HOH A . 
E 2 HOH 20 220 50  HOH HOH A . 
E 2 HOH 21 221 69  HOH HOH A . 
E 2 HOH 22 222 8   HOH HOH A . 
E 2 HOH 23 223 95  HOH HOH A . 
E 2 HOH 24 224 13  HOH HOH A . 
E 2 HOH 25 225 84  HOH HOH A . 
E 2 HOH 26 226 31  HOH HOH A . 
E 2 HOH 27 227 92  HOH HOH A . 
E 2 HOH 28 228 101 HOH HOH A . 
E 2 HOH 29 229 83  HOH HOH A . 
E 2 HOH 30 230 61  HOH HOH A . 
E 2 HOH 31 231 63  HOH HOH A . 
F 2 HOH 1  201 22  HOH HOH B . 
F 2 HOH 2  202 107 HOH HOH B . 
F 2 HOH 3  203 51  HOH HOH B . 
F 2 HOH 4  204 2   HOH HOH B . 
F 2 HOH 5  205 57  HOH HOH B . 
F 2 HOH 6  206 102 HOH HOH B . 
F 2 HOH 7  207 14  HOH HOH B . 
F 2 HOH 8  208 54  HOH HOH B . 
F 2 HOH 9  209 66  HOH HOH B . 
F 2 HOH 10 210 34  HOH HOH B . 
F 2 HOH 11 211 3   HOH HOH B . 
F 2 HOH 12 212 70  HOH HOH B . 
F 2 HOH 13 213 41  HOH HOH B . 
F 2 HOH 14 214 73  HOH HOH B . 
F 2 HOH 15 215 28  HOH HOH B . 
F 2 HOH 16 216 9   HOH HOH B . 
F 2 HOH 17 217 79  HOH HOH B . 
F 2 HOH 18 218 91  HOH HOH B . 
F 2 HOH 19 219 20  HOH HOH B . 
F 2 HOH 20 220 106 HOH HOH B . 
F 2 HOH 21 221 24  HOH HOH B . 
F 2 HOH 22 222 90  HOH HOH B . 
F 2 HOH 23 223 16  HOH HOH B . 
F 2 HOH 24 224 74  HOH HOH B . 
G 2 HOH 1  201 60  HOH HOH C . 
G 2 HOH 2  202 81  HOH HOH C . 
G 2 HOH 3  203 104 HOH HOH C . 
G 2 HOH 4  204 38  HOH HOH C . 
G 2 HOH 5  205 42  HOH HOH C . 
G 2 HOH 6  206 71  HOH HOH C . 
G 2 HOH 7  207 11  HOH HOH C . 
G 2 HOH 8  208 88  HOH HOH C . 
G 2 HOH 9  209 80  HOH HOH C . 
G 2 HOH 10 210 21  HOH HOH C . 
G 2 HOH 11 211 59  HOH HOH C . 
G 2 HOH 12 212 99  HOH HOH C . 
G 2 HOH 13 213 4   HOH HOH C . 
G 2 HOH 14 214 67  HOH HOH C . 
G 2 HOH 15 215 96  HOH HOH C . 
G 2 HOH 16 216 55  HOH HOH C . 
G 2 HOH 17 217 78  HOH HOH C . 
G 2 HOH 18 218 87  HOH HOH C . 
G 2 HOH 19 219 32  HOH HOH C . 
G 2 HOH 20 220 82  HOH HOH C . 
H 2 HOH 1  201 76  HOH HOH D . 
H 2 HOH 2  202 43  HOH HOH D . 
H 2 HOH 3  203 97  HOH HOH D . 
H 2 HOH 4  204 98  HOH HOH D . 
H 2 HOH 5  205 72  HOH HOH D . 
H 2 HOH 6  206 75  HOH HOH D . 
H 2 HOH 7  207 10  HOH HOH D . 
H 2 HOH 8  208 36  HOH HOH D . 
H 2 HOH 9  209 105 HOH HOH D . 
H 2 HOH 10 210 89  HOH HOH D . 
H 2 HOH 11 211 26  HOH HOH D . 
H 2 HOH 12 212 33  HOH HOH D . 
H 2 HOH 13 213 94  HOH HOH D . 
H 2 HOH 14 214 100 HOH HOH D . 
H 2 HOH 15 215 7   HOH HOH D . 
H 2 HOH 16 216 56  HOH HOH D . 
H 2 HOH 17 217 19  HOH HOH D . 
H 2 HOH 18 218 48  HOH HOH D . 
H 2 HOH 19 219 17  HOH HOH D . 
H 2 HOH 20 220 29  HOH HOH D . 
H 2 HOH 21 221 23  HOH HOH D . 
H 2 HOH 22 222 65  HOH HOH D . 
H 2 HOH 23 223 47  HOH HOH D . 
H 2 HOH 24 224 35  HOH HOH D . 
H 2 HOH 25 225 103 HOH HOH D . 
H 2 HOH 26 226 85  HOH HOH D . 
H 2 HOH 27 227 39  HOH HOH D . 
H 2 HOH 28 228 86  HOH HOH D . 
H 2 HOH 29 229 93  HOH HOH D . 
H 2 HOH 30 230 27  HOH HOH D . 
H 2 HOH 31 231 62  HOH HOH D . 
H 2 HOH 32 232 15  HOH HOH D . 
# 
loop_
_pdbx_unobs_or_zero_occ_atoms.id 
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num 
_pdbx_unobs_or_zero_occ_atoms.polymer_flag 
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag 
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id 
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id 
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id 
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code 
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id 
_pdbx_unobs_or_zero_occ_atoms.label_alt_id 
_pdbx_unobs_or_zero_occ_atoms.label_asym_id 
_pdbx_unobs_or_zero_occ_atoms.label_comp_id 
_pdbx_unobs_or_zero_occ_atoms.label_seq_id 
_pdbx_unobs_or_zero_occ_atoms.label_atom_id 
1  1 Y 1 A GLU 170 ? CG  ? A GLU 58 CG  
2  1 Y 1 A GLU 170 ? CD  ? A GLU 58 CD  
3  1 Y 1 A GLU 170 ? OE1 ? A GLU 58 OE1 
4  1 Y 1 A GLU 170 ? OE2 ? A GLU 58 OE2 
5  1 Y 1 B GLU 118 ? CG  ? B GLU 6  CG  
6  1 Y 1 B GLU 118 ? CD  ? B GLU 6  CD  
7  1 Y 1 B GLU 118 ? OE1 ? B GLU 6  OE1 
8  1 Y 1 B GLU 118 ? OE2 ? B GLU 6  OE2 
9  1 Y 1 B LYS 154 ? CG  ? B LYS 42 CG  
10 1 Y 1 B LYS 154 ? CD  ? B LYS 42 CD  
11 1 Y 1 B LYS 154 ? CE  ? B LYS 42 CE  
12 1 Y 1 B LYS 154 ? NZ  ? B LYS 42 NZ  
13 1 Y 1 B GLU 170 ? CG  ? B GLU 58 CG  
14 1 Y 1 B GLU 170 ? CD  ? B GLU 58 CD  
15 1 Y 1 B GLU 170 ? OE1 ? B GLU 58 OE1 
16 1 Y 1 B GLU 170 ? OE2 ? B GLU 58 OE2 
17 1 Y 1 B LEU 172 ? CG  ? B LEU 60 CG  
18 1 Y 1 B LEU 172 ? CD1 ? B LEU 60 CD1 
19 1 Y 1 B LEU 172 ? CD2 ? B LEU 60 CD2 
20 1 Y 1 C ARG 115 ? CG  ? C ARG 3  CG  
21 1 Y 1 C ARG 115 ? CD  ? C ARG 3  CD  
22 1 Y 1 C ARG 115 ? NE  ? C ARG 3  NE  
23 1 Y 1 C ARG 115 ? CZ  ? C ARG 3  CZ  
24 1 Y 1 C ARG 115 ? NH1 ? C ARG 3  NH1 
25 1 Y 1 C ARG 115 ? NH2 ? C ARG 3  NH2 
26 1 Y 1 C SER 132 ? OG  ? C SER 20 OG  
27 1 Y 1 C CYS 133 ? SG  ? C CYS 21 SG  
28 1 Y 1 C LYS 143 ? CG  ? C LYS 31 CG  
29 1 Y 1 C LYS 143 ? CD  ? C LYS 31 CD  
30 1 Y 1 C LYS 143 ? CE  ? C LYS 31 CE  
31 1 Y 1 C LYS 143 ? NZ  ? C LYS 31 NZ  
32 1 Y 1 C GLU 170 ? CG  ? C GLU 58 CG  
33 1 Y 1 C GLU 170 ? CD  ? C GLU 58 CD  
34 1 Y 1 C GLU 170 ? OE1 ? C GLU 58 OE1 
35 1 Y 1 C GLU 170 ? OE2 ? C GLU 58 OE2 
36 1 Y 1 D ILE 113 ? CG1 ? D ILE 1  CG1 
37 1 Y 1 D ILE 113 ? CG2 ? D ILE 1  CG2 
38 1 Y 1 D ILE 113 ? CD1 ? D ILE 1  CD1 
39 1 Y 1 D GLU 118 ? CG  ? D GLU 6  CG  
40 1 Y 1 D GLU 118 ? CD  ? D GLU 6  CD  
41 1 Y 1 D GLU 118 ? OE1 ? D GLU 6  OE1 
42 1 Y 1 D GLU 118 ? OE2 ? D GLU 6  OE2 
43 1 Y 1 D ARG 171 ? CG  ? D ARG 59 CG  
44 1 Y 1 D ARG 171 ? CD  ? D ARG 59 CD  
45 1 Y 1 D ARG 171 ? NE  ? D ARG 59 NE  
46 1 Y 1 D ARG 171 ? CZ  ? D ARG 59 CZ  
47 1 Y 1 D ARG 171 ? NH1 ? D ARG 59 NH1 
48 1 Y 1 D ARG 171 ? NH2 ? D ARG 59 NH2 
# 
loop_
_software.citation_id 
_software.classification 
_software.compiler_name 
_software.compiler_version 
_software.contact_author 
_software.contact_author_email 
_software.date 
_software.description 
_software.dependencies 
_software.hardware 
_software.language 
_software.location 
_software.mods 
_software.name 
_software.os 
_software.os_version 
_software.type 
_software.version 
_software.pdbx_ordinal 
? refinement       ? ? ? ? ? ? ? ? ? ? ? REFMAC  ? ? ? 5.8.0425 1 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? Aimless ? ? ? .        2 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? XDS     ? ? ? .        3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHASER  ? ? ? .        4 
# 
_cell.angle_alpha                  90.00 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.00 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.00 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     9CEA 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     63.758 
_cell.length_a_esd                 ? 
_cell.length_b                     66.854 
_cell.length_b_esd                 ? 
_cell.length_c                     70.908 
_cell.length_c_esd                 ? 
_cell.volume                       ? 
_cell.volume_esd                   ? 
_cell.Z_PDB                        16 
_cell.reciprocal_angle_alpha       ? 
_cell.reciprocal_angle_beta        ? 
_cell.reciprocal_angle_gamma       ? 
_cell.reciprocal_angle_alpha_esd   ? 
_cell.reciprocal_angle_beta_esd    ? 
_cell.reciprocal_angle_gamma_esd   ? 
_cell.reciprocal_length_a          ? 
_cell.reciprocal_length_b          ? 
_cell.reciprocal_length_c          ? 
_cell.reciprocal_length_a_esd      ? 
_cell.reciprocal_length_b_esd      ? 
_cell.reciprocal_length_c_esd      ? 
_cell.pdbx_unique_axis             ? 
_cell.pdbx_esd_method              ? 
# 
_symmetry.entry_id                         9CEA 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                19 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'P 21 21 21' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
# 
_exptl.absorpt_coefficient_mu     ? 
_exptl.absorpt_correction_T_max   ? 
_exptl.absorpt_correction_T_min   ? 
_exptl.absorpt_correction_type    ? 
_exptl.absorpt_process_details    ? 
_exptl.entry_id                   9CEA 
_exptl.crystals_number            1 
_exptl.details                    ? 
_exptl.method                     'X-RAY DIFFRACTION' 
_exptl.method_details             ? 
# 
_exptl_crystal.colour                       ? 
_exptl_crystal.density_diffrn               ? 
_exptl_crystal.density_Matthews             2.74 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          55.11 
_exptl_crystal.description                  ? 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_esd   ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, SITTING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              ? 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    '0.1 M HEPES pH 7, 0.2 M sodium chloride and 20% w/v PEG6000' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            291 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     100 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'DECTRIS PILATUS 200K' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2022-08-24 
_diffrn_detector.pdbx_frequency               ? 
_diffrn_detector.id                           ? 
_diffrn_detector.number_of_axes               ? 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   1.54 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.current                     ? 
_diffrn_source.details                     ? 
_diffrn_source.diffrn_id                   1 
_diffrn_source.power                       ? 
_diffrn_source.size                        ? 
_diffrn_source.source                      'ROTATING ANODE' 
_diffrn_source.target                      ? 
_diffrn_source.type                        'RIGAKU MICROMAX-007 HF' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        1.54 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   ? 
_diffrn_source.pdbx_synchrotron_site       ? 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       9CEA 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              2.15 
_reflns.d_resolution_low                               46.18 
_reflns.details                                        ? 
_reflns.limit_h_max                                    ? 
_reflns.limit_h_min                                    ? 
_reflns.limit_k_max                                    ? 
_reflns.limit_k_min                                    ? 
_reflns.limit_l_max                                    ? 
_reflns.limit_l_min                                    ? 
_reflns.number_all                                     ? 
_reflns.number_obs                                     17068 
_reflns.observed_criterion                             ? 
_reflns.observed_criterion_F_max                       ? 
_reflns.observed_criterion_F_min                       ? 
_reflns.observed_criterion_I_max                       ? 
_reflns.observed_criterion_I_min                       ? 
_reflns.observed_criterion_sigma_F                     ? 
_reflns.observed_criterion_sigma_I                     ? 
_reflns.percent_possible_obs                           99.9 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                6.4 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          11.3 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               1.04 
_reflns.pdbx_scaling_rejects                           ? 
_reflns.pdbx_d_res_high_opt                            ? 
_reflns.pdbx_d_res_low_opt                             ? 
_reflns.pdbx_d_res_opt_method                          ? 
_reflns.phase_calculation_details                      ? 
_reflns.pdbx_Rrim_I_all                                0.140 
_reflns.pdbx_Rpim_I_all                                0.055 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.998 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.129 
_reflns.pdbx_Rmerge_I_all                              ? 
_reflns.pdbx_Rsym_value                                ? 
_reflns.pdbx_CC_split_method                           ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_1                 ? 
_reflns.pdbx_aniso_diffraction_limit_2                 ? 
_reflns.pdbx_aniso_diffraction_limit_3                 ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_1               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_2               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_3               ? 
_reflns.pdbx_orthogonalization_convention              ? 
_reflns.pdbx_percent_possible_ellipsoidal              ? 
_reflns.pdbx_percent_possible_spherical                ? 
_reflns.pdbx_percent_possible_ellipsoidal_anomalous    ? 
_reflns.pdbx_percent_possible_spherical_anomalous      ? 
_reflns.pdbx_redundancy_anomalous                      ? 
_reflns.pdbx_CC_half_anomalous                         ? 
_reflns.pdbx_absDiff_over_sigma_anomalous              ? 
_reflns.pdbx_percent_possible_anomalous                ? 
_reflns.pdbx_observed_signal_threshold                 ? 
_reflns.pdbx_signal_type                               ? 
_reflns.pdbx_signal_details                            ? 
_reflns.pdbx_signal_software_id                        ? 
# 
_reflns_shell.d_res_high                                    2.15 
_reflns_shell.d_res_low                                     2.22 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           ? 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             1446 
_reflns_shell.percent_possible_obs                          ? 
_reflns_shell.Rmerge_F_all                                  ? 
_reflns_shell.Rmerge_F_obs                                  ? 
_reflns_shell.meanI_over_sigI_gt                            ? 
_reflns_shell.meanI_over_uI_all                             ? 
_reflns_shell.meanI_over_uI_gt                              ? 
_reflns_shell.number_measured_gt                            ? 
_reflns_shell.number_unique_gt                              ? 
_reflns_shell.percent_possible_gt                           ? 
_reflns_shell.Rmerge_F_gt                                   ? 
_reflns_shell.Rmerge_I_gt                                   ? 
_reflns_shell.pdbx_redundancy                               6.2 
_reflns_shell.pdbx_chi_squared                              1.07 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     ? 
_reflns_shell.pdbx_Rrim_I_all                               1.0 
_reflns_shell.pdbx_Rpim_I_all                               0.400 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.652 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          ? 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  0.916 
_reflns_shell.pdbx_Rsym_value                               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal             ? 
_reflns_shell.pdbx_percent_possible_spherical               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal_anomalous   ? 
_reflns_shell.pdbx_percent_possible_spherical_anomalous     ? 
_reflns_shell.pdbx_redundancy_anomalous                     ? 
_reflns_shell.pdbx_CC_half_anomalous                        ? 
_reflns_shell.pdbx_absDiff_over_sigma_anomalous             ? 
_reflns_shell.pdbx_percent_possible_anomalous               ? 
# 
_refine.aniso_B[1][1]                            -0.95 
_refine.aniso_B[1][2]                            -0.00 
_refine.aniso_B[1][3]                            -0.00 
_refine.aniso_B[2][2]                            -1.65 
_refine.aniso_B[2][3]                            0.00 
_refine.aniso_B[3][3]                            2.60 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               38.082 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.937 
_refine.correlation_coeff_Fo_to_Fc_free          0.908 
_refine.details                                  'HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS' 
_refine.diff_density_max                         ? 
_refine.diff_density_max_esd                     ? 
_refine.diff_density_min                         ? 
_refine.diff_density_min_esd                     ? 
_refine.diff_density_rms                         ? 
_refine.diff_density_rms_esd                     ? 
_refine.entry_id                                 9CEA 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_abs_structure_details                 ? 
_refine.ls_abs_structure_Flack                   ? 
_refine.ls_abs_structure_Flack_esd               ? 
_refine.ls_abs_structure_Rogers                  ? 
_refine.ls_abs_structure_Rogers_esd              ? 
_refine.ls_d_res_high                            2.15 
_refine.ls_d_res_low                             46.18 
_refine.ls_extinction_coef                       ? 
_refine.ls_extinction_coef_esd                   ? 
_refine.ls_extinction_expression                 ? 
_refine.ls_extinction_method                     ? 
_refine.ls_goodness_of_fit_all                   ? 
_refine.ls_goodness_of_fit_all_esd               ? 
_refine.ls_goodness_of_fit_obs                   ? 
_refine.ls_goodness_of_fit_obs_esd               ? 
_refine.ls_hydrogen_treatment                    ? 
_refine.ls_matrix_type                           ? 
_refine.ls_number_constraints                    ? 
_refine.ls_number_parameters                     ? 
_refine.ls_number_reflns_all                     ? 
_refine.ls_number_reflns_obs                     16249 
_refine.ls_number_reflns_R_free                  772 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.89 
_refine.ls_percent_reflns_R_free                 4.5 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.22982 
_refine.ls_R_factor_R_free                       0.27732 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.22735 
_refine.ls_R_Fsqd_factor_obs                     ? 
_refine.ls_R_I_factor_obs                        ? 
_refine.ls_redundancy_reflns_all                 ? 
_refine.ls_redundancy_reflns_obs                 ? 
_refine.ls_restrained_S_all                      ? 
_refine.ls_restrained_S_obs                      ? 
_refine.ls_shift_over_esd_max                    ? 
_refine.ls_shift_over_esd_mean                   ? 
_refine.ls_structure_factor_coef                 ? 
_refine.ls_weighting_details                     ? 
_refine.ls_weighting_scheme                      ? 
_refine.ls_wR_factor_all                         ? 
_refine.ls_wR_factor_obs                         ? 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_wR_factor_R_work                      ? 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.solvent_model_details                    MASK 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_R_complete                          ? 
_refine.ls_R_factor_gt                           ? 
_refine.ls_goodness_of_fit_gt                    ? 
_refine.ls_goodness_of_fit_ref                   ? 
_refine.ls_shift_over_su_max                     ? 
_refine.ls_shift_over_su_max_lt                  ? 
_refine.ls_shift_over_su_mean                    ? 
_refine.ls_shift_over_su_mean_lt                 ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          ? 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               THROUGHOUT 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       'MAXIMUM LIKELIHOOD' 
_refine.pdbx_R_Free_selection_details            RANDOM 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       0.243 
_refine.pdbx_overall_ESU_R_Free                  0.212 
_refine.pdbx_solvent_vdw_probe_radii             1.20 
_refine.pdbx_solvent_ion_probe_radii             0.80 
_refine.pdbx_solvent_shrinkage_radii             0.80 
_refine.pdbx_real_space_R                        ? 
_refine.pdbx_density_correlation                 ? 
_refine.pdbx_pd_number_of_powder_patterns        ? 
_refine.pdbx_pd_number_of_points                 ? 
_refine.pdbx_pd_meas_number_of_points            ? 
_refine.pdbx_pd_proc_ls_prof_R_factor            ? 
_refine.pdbx_pd_proc_ls_prof_wR_factor           ? 
_refine.pdbx_pd_Marquardt_correlation_coeff      ? 
_refine.pdbx_pd_Fsqrd_R_factor                   ? 
_refine.pdbx_pd_ls_matrix_band_width             ? 
_refine.pdbx_overall_phase_error                 ? 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_diffrn_id                           1 
_refine.overall_SU_B                             6.540 
_refine.overall_SU_ML                            0.167 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.overall_SU_R_free                        ? 
_refine.overall_FOM_free_R_set                   ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.pdbx_average_fsc_overall                 ? 
_refine.pdbx_average_fsc_work                    ? 
_refine.pdbx_average_fsc_free                    ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         1 
_refine_hist.details                          ? 
_refine_hist.d_res_high                       2.15 
_refine_hist.d_res_low                        46.18 
_refine_hist.number_atoms_solvent             107 
_refine_hist.number_atoms_total               1983 
_refine_hist.number_reflns_all                ? 
_refine_hist.number_reflns_obs                ? 
_refine_hist.number_reflns_R_free             ? 
_refine_hist.number_reflns_R_work             ? 
_refine_hist.R_factor_all                     ? 
_refine_hist.R_factor_obs                     ? 
_refine_hist.R_factor_R_free                  ? 
_refine_hist.R_factor_R_work                  ? 
_refine_hist.pdbx_number_residues_total       ? 
_refine_hist.pdbx_B_iso_mean_ligand           ? 
_refine_hist.pdbx_B_iso_mean_solvent          ? 
_refine_hist.pdbx_number_atoms_protein        1876 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         0 
_refine_hist.pdbx_number_atoms_lipid          ? 
_refine_hist.pdbx_number_atoms_carb           ? 
_refine_hist.pdbx_pseudo_atom_details         ? 
# 
loop_
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.criterion 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.number 
_refine_ls_restr.rejects 
_refine_ls_restr.type 
_refine_ls_restr.weight 
_refine_ls_restr.pdbx_restraint_function 
'X-RAY DIFFRACTION' ? 0.009  0.012  1914 ? r_bond_refined_d             ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.016  1837 ? r_bond_other_d               ? ? 
'X-RAY DIFFRACTION' ? 1.924  1.841  2582 ? r_angle_refined_deg          ? ? 
'X-RAY DIFFRACTION' ? 0.674  1.781  4237 ? r_angle_other_deg            ? ? 
'X-RAY DIFFRACTION' ? 6.822  5.000  241  ? r_dihedral_angle_1_deg       ? ? 
'X-RAY DIFFRACTION' ? 12.894 5.000  10   ? r_dihedral_angle_2_deg       ? ? 
'X-RAY DIFFRACTION' ? 16.856 10.000 342  ? r_dihedral_angle_3_deg       ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_dihedral_angle_4_deg       ? ? 
'X-RAY DIFFRACTION' ? 0.103  0.200  291  ? r_chiral_restr               ? ? 
'X-RAY DIFFRACTION' ? 0.008  0.020  2220 ? r_gen_planes_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.020  406  ? r_gen_planes_other           ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_nbd_refined                ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_nbd_other                  ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_nbtor_refined              ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_nbtor_other                ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_xyhbond_nbd_refined        ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_xyhbond_nbd_other          ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_metal_ion_refined          ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_metal_ion_other            ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_vdw_refined       ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_vdw_other         ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_hbond_refined     ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_hbond_other       ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_metal_ion_refined ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_metal_ion_other   ? ? 
'X-RAY DIFFRACTION' ? 4.761  3.979  970  ? r_mcbond_it                  ? ? 
'X-RAY DIFFRACTION' ? 4.740  3.980  970  ? r_mcbond_other               ? ? 
'X-RAY DIFFRACTION' ? 7.026  7.099  1206 ? r_mcangle_it                 ? ? 
'X-RAY DIFFRACTION' ? 7.023  7.107  1207 ? r_mcangle_other              ? ? 
'X-RAY DIFFRACTION' ? 5.617  4.278  944  ? r_scbond_it                  ? ? 
'X-RAY DIFFRACTION' ? 5.614  4.285  945  ? r_scbond_other               ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_scangle_it                 ? ? 
'X-RAY DIFFRACTION' ? 8.032  7.716  1376 ? r_scangle_other              ? ? 
'X-RAY DIFFRACTION' ? 9.932  37.73  2047 ? r_long_range_B_refined       ? ? 
'X-RAY DIFFRACTION' ? 9.929  37.75  2043 ? r_long_range_B_other         ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_rigid_bond_restr           ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_sphericity_free            ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_sphericity_bonded          ? ? 
# 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_ls_shell.d_res_high                       2.150 
_refine_ls_shell.d_res_low                        2.206 
_refine_ls_shell.number_reflns_all                ? 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.number_reflns_R_free             52 
_refine_ls_shell.number_reflns_R_work             1172 
_refine_ls_shell.percent_reflns_obs               99.92 
_refine_ls_shell.percent_reflns_R_free            ? 
_refine_ls_shell.R_factor_all                     ? 
_refine_ls_shell.R_factor_obs                     ? 
_refine_ls_shell.R_factor_R_free_error            ? 
_refine_ls_shell.R_factor_R_work                  0.262 
_refine_ls_shell.redundancy_reflns_all            ? 
_refine_ls_shell.redundancy_reflns_obs            ? 
_refine_ls_shell.wR_factor_all                    ? 
_refine_ls_shell.wR_factor_obs                    ? 
_refine_ls_shell.wR_factor_R_free                 ? 
_refine_ls_shell.wR_factor_R_work                 ? 
_refine_ls_shell.pdbx_R_complete                  ? 
_refine_ls_shell.pdbx_total_number_of_bins_used   20 
_refine_ls_shell.pdbx_phase_error                 ? 
_refine_ls_shell.pdbx_fsc_work                    ? 
_refine_ls_shell.pdbx_fsc_free                    ? 
_refine_ls_shell.R_factor_R_free                  0.341 
# 
_struct.entry_id                     9CEA 
_struct.title                        'Crystal structure of HP1alpha chromoshadow domain' 
_struct.pdbx_model_details           ? 
_struct.pdbx_formula_weight          ? 
_struct.pdbx_formula_weight_method   ? 
_struct.pdbx_model_type_details      ? 
_struct.pdbx_CASP_flag               N 
# 
_struct_keywords.entry_id        9CEA 
_struct_keywords.text            'HP1a, CSD domain, TRANSCRIPTION' 
_struct_keywords.pdbx_keywords   TRANSCRIPTION 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 1 ? 
C N N 1 ? 
D N N 1 ? 
E N N 2 ? 
F N N 2 ? 
G N N 2 ? 
H N N 2 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    CBX5_HUMAN 
_struct_ref.pdbx_db_accession          P45973 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   IARGFERGLEPEKIIGATDSCGDLMFLMKWKDTDEADLVLAKEANVKCPQIVIAFYEERLTWH 
_struct_ref.pdbx_align_begin           113 
# 
loop_
_struct_ref_seq.align_id 
_struct_ref_seq.ref_id 
_struct_ref_seq.pdbx_PDB_id_code 
_struct_ref_seq.pdbx_strand_id 
_struct_ref_seq.seq_align_beg 
_struct_ref_seq.pdbx_seq_align_beg_ins_code 
_struct_ref_seq.seq_align_end 
_struct_ref_seq.pdbx_seq_align_end_ins_code 
_struct_ref_seq.pdbx_db_accession 
_struct_ref_seq.db_align_beg 
_struct_ref_seq.pdbx_db_align_beg_ins_code 
_struct_ref_seq.db_align_end 
_struct_ref_seq.pdbx_db_align_end_ins_code 
_struct_ref_seq.pdbx_auth_seq_align_beg 
_struct_ref_seq.pdbx_auth_seq_align_end 
1 1 9CEA A 1 ? 63 ? P45973 113 ? 175 ? 113 175 
2 1 9CEA B 1 ? 63 ? P45973 113 ? 175 ? 113 175 
3 1 9CEA C 1 ? 63 ? P45973 113 ? 175 ? 113 175 
4 1 9CEA D 1 ? 63 ? P45973 113 ? 175 ? 113 175 
# 
loop_
_pdbx_struct_assembly.id 
_pdbx_struct_assembly.details 
_pdbx_struct_assembly.method_details 
_pdbx_struct_assembly.oligomeric_details 
_pdbx_struct_assembly.oligomeric_count 
1 author_and_software_defined_assembly PISA dimeric 2 
2 author_and_software_defined_assembly PISA dimeric 2 
# 
loop_
_pdbx_struct_assembly_prop.biol_id 
_pdbx_struct_assembly_prop.type 
_pdbx_struct_assembly_prop.value 
_pdbx_struct_assembly_prop.details 
1 'ABSA (A^2)' 1010 ? 
1 MORE         -8   ? 
1 'SSA (A^2)'  7170 ? 
2 'ABSA (A^2)' 1230 ? 
2 MORE         -8   ? 
2 'SSA (A^2)'  7290 ? 
# 
loop_
_pdbx_struct_assembly_gen.assembly_id 
_pdbx_struct_assembly_gen.oper_expression 
_pdbx_struct_assembly_gen.asym_id_list 
1 1 A,B,E,F 
2 1 C,D,G,H 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1  AA1 ARG A 3  ? GLY A 8  ? ARG A 115 GLY A 120 5 ? 6  
HELX_P HELX_P2  AA2 ALA A 41 ? CYS A 48 ? ALA A 153 CYS A 160 1 ? 8  
HELX_P HELX_P3  AA3 CYS A 48 ? LEU A 60 ? CYS A 160 LEU A 172 1 ? 13 
HELX_P HELX_P4  AA4 ARG B 3  ? GLY B 8  ? ARG B 115 GLY B 120 5 ? 6  
HELX_P HELX_P5  AA5 ALA B 41 ? CYS B 48 ? ALA B 153 CYS B 160 1 ? 8  
HELX_P HELX_P6  AA6 CYS B 48 ? THR B 61 ? CYS B 160 THR B 173 1 ? 14 
HELX_P HELX_P7  AA7 ARG C 3  ? GLY C 8  ? ARG C 115 GLY C 120 5 ? 6  
HELX_P HELX_P8  AA8 ALA C 41 ? CYS C 48 ? ALA C 153 CYS C 160 1 ? 8  
HELX_P HELX_P9  AA9 CYS C 48 ? LEU C 60 ? CYS C 160 LEU C 172 1 ? 13 
HELX_P HELX_P10 AB1 ARG D 3  ? GLY D 8  ? ARG D 115 GLY D 120 5 ? 6  
HELX_P HELX_P11 AB2 ALA D 41 ? CYS D 48 ? ALA D 153 CYS D 160 1 ? 8  
HELX_P HELX_P12 AB3 CYS D 48 ? ARG D 59 ? CYS D 160 ARG D 171 1 ? 12 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 3 ? 
AA2 ? 3 ? 
AA3 ? 3 ? 
AA4 ? 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 
AA1 1 2 ? anti-parallel 
AA1 2 3 ? anti-parallel 
AA2 1 2 ? anti-parallel 
AA2 2 3 ? anti-parallel 
AA3 1 2 ? anti-parallel 
AA3 2 3 ? anti-parallel 
AA4 1 2 ? anti-parallel 
AA4 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 
AA1 1 PRO A 11 ? THR A 18 ? PRO A 123 THR A 130 
AA1 2 MET A 25 ? TRP A 30 ? MET A 137 TRP A 142 
AA1 3 ASP A 37 ? LEU A 40 ? ASP A 149 LEU A 152 
AA2 1 PRO B 11 ? THR B 18 ? PRO B 123 THR B 130 
AA2 2 MET B 25 ? TRP B 30 ? MET B 137 TRP B 142 
AA2 3 ASP B 37 ? LEU B 40 ? ASP B 149 LEU B 152 
AA3 1 PRO C 11 ? SER C 20 ? PRO C 123 SER C 132 
AA3 2 ASP C 23 ? TRP C 30 ? ASP C 135 TRP C 142 
AA3 3 ASP C 37 ? LEU C 40 ? ASP C 149 LEU C 152 
AA4 1 PRO D 11 ? SER D 20 ? PRO D 123 SER D 132 
AA4 2 ASP D 23 ? TRP D 30 ? ASP D 135 TRP D 142 
AA4 3 ASP D 37 ? LEU D 40 ? ASP D 149 LEU D 152 
# 
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 
AA1 1 2 N LYS A 13 ? N LYS A 125 O LYS A 29 ? O LYS A 141 
AA1 2 3 N MET A 28 ? N MET A 140 O ASP A 37 ? O ASP A 149 
AA2 1 2 N ILE B 15 ? N ILE B 127 O LEU B 27 ? O LEU B 139 
AA2 2 3 N MET B 28 ? N MET B 140 O ASP B 37 ? O ASP B 149 
AA3 1 2 N ILE C 15 ? N ILE C 127 O LEU C 27 ? O LEU C 139 
AA3 2 3 N MET C 28 ? N MET C 140 O ASP C 37 ? O ASP C 149 
AA4 1 2 N LYS D 13 ? N LYS D 125 O LYS D 29 ? O LYS D 141 
AA4 2 3 N PHE D 26 ? N PHE D 138 O VAL D 39 ? O VAL D 151 
# 
_pdbx_entry_details.entry_id                   9CEA 
_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   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 CD B LYS 141 ? ? CE B LYS 141 ? ? NZ B LYS 141 ? ? 97.19 111.70 -14.51 2.30 N 
2 1 CB B ASP 149 ? ? CA B ASP 149 ? ? C  B ASP 149 ? ? 98.39 110.40 -12.01 2.00 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 CYS A 160 ? ? -143.19 57.24  
2 1 CYS B 160 ? ? -146.25 59.43  
3 1 ASP C 144 ? ? -115.39 54.06  
4 1 CYS C 160 ? ? -141.23 59.38  
5 1 LEU C 172 ? ? -57.04  108.75 
6 1 ALA D 114 ? ? -164.95 -50.23 
7 1 ARG D 115 ? ? -141.41 -33.65 
# 
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 B 115 ? ? 0.099 'SIDE CHAIN' 
2 1 ARG C 171 ? ? 0.098 'SIDE CHAIN' 
3 1 ARG D 115 ? ? 0.135 'SIDE CHAIN' 
4 1 ARG D 119 ? ? 0.090 'SIDE CHAIN' 
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
1 1 Y 1 A ILE 113 ? A ILE 1  
2 1 Y 1 A TRP 174 ? A TRP 62 
3 1 Y 1 A HIS 175 ? A HIS 63 
4 1 Y 1 B ILE 113 ? B ILE 1  
5 1 Y 1 B TRP 174 ? B TRP 62 
6 1 Y 1 B HIS 175 ? B HIS 63 
7 1 Y 1 C ILE 113 ? C ILE 1  
8 1 Y 1 D TRP 174 ? D TRP 62 
9 1 Y 1 D HIS 175 ? D HIS 63 
# 
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 
HOH O    O N N 158 
HOH H1   H N N 159 
HOH H2   H N N 160 
ILE N    N N N 161 
ILE CA   C N S 162 
ILE C    C N N 163 
ILE O    O N N 164 
ILE CB   C N S 165 
ILE CG1  C N N 166 
ILE CG2  C N N 167 
ILE CD1  C N N 168 
ILE OXT  O N N 169 
ILE H    H N N 170 
ILE H2   H N N 171 
ILE HA   H N N 172 
ILE HB   H N N 173 
ILE HG12 H N N 174 
ILE HG13 H N N 175 
ILE HG21 H N N 176 
ILE HG22 H N N 177 
ILE HG23 H N N 178 
ILE HD11 H N N 179 
ILE HD12 H N N 180 
ILE HD13 H N N 181 
ILE HXT  H N N 182 
LEU N    N N N 183 
LEU CA   C N S 184 
LEU C    C N N 185 
LEU O    O N N 186 
LEU CB   C N N 187 
LEU CG   C N N 188 
LEU CD1  C N N 189 
LEU CD2  C N N 190 
LEU OXT  O N N 191 
LEU H    H N N 192 
LEU H2   H N N 193 
LEU HA   H N N 194 
LEU HB2  H N N 195 
LEU HB3  H N N 196 
LEU HG   H N N 197 
LEU HD11 H N N 198 
LEU HD12 H N N 199 
LEU HD13 H N N 200 
LEU HD21 H N N 201 
LEU HD22 H N N 202 
LEU HD23 H N N 203 
LEU HXT  H N N 204 
LYS N    N N N 205 
LYS CA   C N S 206 
LYS C    C N N 207 
LYS O    O N N 208 
LYS CB   C N N 209 
LYS CG   C N N 210 
LYS CD   C N N 211 
LYS CE   C N N 212 
LYS NZ   N N N 213 
LYS OXT  O N N 214 
LYS H    H N N 215 
LYS H2   H N N 216 
LYS HA   H N N 217 
LYS HB2  H N N 218 
LYS HB3  H N N 219 
LYS HG2  H N N 220 
LYS HG3  H N N 221 
LYS HD2  H N N 222 
LYS HD3  H N N 223 
LYS HE2  H N N 224 
LYS HE3  H N N 225 
LYS HZ1  H N N 226 
LYS HZ2  H N N 227 
LYS HZ3  H N N 228 
LYS HXT  H N N 229 
MET N    N N N 230 
MET CA   C N S 231 
MET C    C N N 232 
MET O    O N N 233 
MET CB   C N N 234 
MET CG   C N N 235 
MET SD   S N N 236 
MET CE   C N N 237 
MET OXT  O N N 238 
MET H    H N N 239 
MET H2   H N N 240 
MET HA   H N N 241 
MET HB2  H N N 242 
MET HB3  H N N 243 
MET HG2  H N N 244 
MET HG3  H N N 245 
MET HE1  H N N 246 
MET HE2  H N N 247 
MET HE3  H N N 248 
MET HXT  H N N 249 
PHE N    N N N 250 
PHE CA   C N S 251 
PHE C    C N N 252 
PHE O    O N N 253 
PHE CB   C N N 254 
PHE CG   C Y N 255 
PHE CD1  C Y N 256 
PHE CD2  C Y N 257 
PHE CE1  C Y N 258 
PHE CE2  C Y N 259 
PHE CZ   C Y N 260 
PHE OXT  O N N 261 
PHE H    H N N 262 
PHE H2   H N N 263 
PHE HA   H N N 264 
PHE HB2  H N N 265 
PHE HB3  H N N 266 
PHE HD1  H N N 267 
PHE HD2  H N N 268 
PHE HE1  H N N 269 
PHE HE2  H N N 270 
PHE HZ   H N N 271 
PHE HXT  H N N 272 
PRO N    N N N 273 
PRO CA   C N S 274 
PRO C    C N N 275 
PRO O    O N N 276 
PRO CB   C N N 277 
PRO CG   C N N 278 
PRO CD   C N N 279 
PRO OXT  O N N 280 
PRO H    H N N 281 
PRO HA   H N N 282 
PRO HB2  H N N 283 
PRO HB3  H N N 284 
PRO HG2  H N N 285 
PRO HG3  H N N 286 
PRO HD2  H N N 287 
PRO HD3  H N N 288 
PRO HXT  H N N 289 
SER N    N N N 290 
SER CA   C N S 291 
SER C    C N N 292 
SER O    O N N 293 
SER CB   C N N 294 
SER OG   O N N 295 
SER OXT  O N N 296 
SER H    H N N 297 
SER H2   H N N 298 
SER HA   H N N 299 
SER HB2  H N N 300 
SER HB3  H N N 301 
SER HG   H N N 302 
SER HXT  H N N 303 
THR N    N N N 304 
THR CA   C N S 305 
THR C    C N N 306 
THR O    O N N 307 
THR CB   C N R 308 
THR OG1  O N N 309 
THR CG2  C N N 310 
THR OXT  O N N 311 
THR H    H N N 312 
THR H2   H N N 313 
THR HA   H N N 314 
THR HB   H N N 315 
THR HG1  H N N 316 
THR HG21 H N N 317 
THR HG22 H N N 318 
THR HG23 H N N 319 
THR HXT  H N N 320 
TRP N    N N N 321 
TRP CA   C N S 322 
TRP C    C N N 323 
TRP O    O N N 324 
TRP CB   C N N 325 
TRP CG   C Y N 326 
TRP CD1  C Y N 327 
TRP CD2  C Y N 328 
TRP NE1  N Y N 329 
TRP CE2  C Y N 330 
TRP CE3  C Y N 331 
TRP CZ2  C Y N 332 
TRP CZ3  C Y N 333 
TRP CH2  C Y N 334 
TRP OXT  O N N 335 
TRP H    H N N 336 
TRP H2   H N N 337 
TRP HA   H N N 338 
TRP HB2  H N N 339 
TRP HB3  H N N 340 
TRP HD1  H N N 341 
TRP HE1  H N N 342 
TRP HE3  H N N 343 
TRP HZ2  H N N 344 
TRP HZ3  H N N 345 
TRP HH2  H N N 346 
TRP HXT  H N N 347 
TYR N    N N N 348 
TYR CA   C N S 349 
TYR C    C N N 350 
TYR O    O N N 351 
TYR CB   C N N 352 
TYR CG   C Y N 353 
TYR CD1  C Y N 354 
TYR CD2  C Y N 355 
TYR CE1  C Y N 356 
TYR CE2  C Y N 357 
TYR CZ   C Y N 358 
TYR OH   O N N 359 
TYR OXT  O N N 360 
TYR H    H N N 361 
TYR H2   H N N 362 
TYR HA   H N N 363 
TYR HB2  H N N 364 
TYR HB3  H N N 365 
TYR HD1  H N N 366 
TYR HD2  H N N 367 
TYR HE1  H N N 368 
TYR HE2  H N N 369 
TYR HH   H N N 370 
TYR HXT  H N N 371 
VAL N    N N N 372 
VAL CA   C N S 373 
VAL C    C N N 374 
VAL O    O N N 375 
VAL CB   C N N 376 
VAL CG1  C N N 377 
VAL CG2  C N N 378 
VAL OXT  O N N 379 
VAL H    H N N 380 
VAL H2   H N N 381 
VAL HA   H N N 382 
VAL HB   H N N 383 
VAL HG11 H N N 384 
VAL HG12 H N N 385 
VAL HG13 H N N 386 
VAL HG21 H N N 387 
VAL HG22 H N N 388 
VAL HG23 H N N 389 
VAL HXT  H N N 390 
# 
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 
HOH O   H1   sing N N 150 
HOH O   H2   sing N N 151 
ILE N   CA   sing N N 152 
ILE N   H    sing N N 153 
ILE N   H2   sing N N 154 
ILE CA  C    sing N N 155 
ILE CA  CB   sing N N 156 
ILE CA  HA   sing N N 157 
ILE C   O    doub N N 158 
ILE C   OXT  sing N N 159 
ILE CB  CG1  sing N N 160 
ILE CB  CG2  sing N N 161 
ILE CB  HB   sing N N 162 
ILE CG1 CD1  sing N N 163 
ILE CG1 HG12 sing N N 164 
ILE CG1 HG13 sing N N 165 
ILE CG2 HG21 sing N N 166 
ILE CG2 HG22 sing N N 167 
ILE CG2 HG23 sing N N 168 
ILE CD1 HD11 sing N N 169 
ILE CD1 HD12 sing N N 170 
ILE CD1 HD13 sing N N 171 
ILE OXT HXT  sing N N 172 
LEU N   CA   sing N N 173 
LEU N   H    sing N N 174 
LEU N   H2   sing N N 175 
LEU CA  C    sing N N 176 
LEU CA  CB   sing N N 177 
LEU CA  HA   sing N N 178 
LEU C   O    doub N N 179 
LEU C   OXT  sing N N 180 
LEU CB  CG   sing N N 181 
LEU CB  HB2  sing N N 182 
LEU CB  HB3  sing N N 183 
LEU CG  CD1  sing N N 184 
LEU CG  CD2  sing N N 185 
LEU CG  HG   sing N N 186 
LEU CD1 HD11 sing N N 187 
LEU CD1 HD12 sing N N 188 
LEU CD1 HD13 sing N N 189 
LEU CD2 HD21 sing N N 190 
LEU CD2 HD22 sing N N 191 
LEU CD2 HD23 sing N N 192 
LEU OXT HXT  sing N N 193 
LYS N   CA   sing N N 194 
LYS N   H    sing N N 195 
LYS N   H2   sing N N 196 
LYS CA  C    sing N N 197 
LYS CA  CB   sing N N 198 
LYS CA  HA   sing N N 199 
LYS C   O    doub N N 200 
LYS C   OXT  sing N N 201 
LYS CB  CG   sing N N 202 
LYS CB  HB2  sing N N 203 
LYS CB  HB3  sing N N 204 
LYS CG  CD   sing N N 205 
LYS CG  HG2  sing N N 206 
LYS CG  HG3  sing N N 207 
LYS CD  CE   sing N N 208 
LYS CD  HD2  sing N N 209 
LYS CD  HD3  sing N N 210 
LYS CE  NZ   sing N N 211 
LYS CE  HE2  sing N N 212 
LYS CE  HE3  sing N N 213 
LYS NZ  HZ1  sing N N 214 
LYS NZ  HZ2  sing N N 215 
LYS NZ  HZ3  sing N N 216 
LYS OXT HXT  sing N N 217 
MET N   CA   sing N N 218 
MET N   H    sing N N 219 
MET N   H2   sing N N 220 
MET CA  C    sing N N 221 
MET CA  CB   sing N N 222 
MET CA  HA   sing N N 223 
MET C   O    doub N N 224 
MET C   OXT  sing N N 225 
MET CB  CG   sing N N 226 
MET CB  HB2  sing N N 227 
MET CB  HB3  sing N N 228 
MET CG  SD   sing N N 229 
MET CG  HG2  sing N N 230 
MET CG  HG3  sing N N 231 
MET SD  CE   sing N N 232 
MET CE  HE1  sing N N 233 
MET CE  HE2  sing N N 234 
MET CE  HE3  sing N N 235 
MET OXT HXT  sing N N 236 
PHE N   CA   sing N N 237 
PHE N   H    sing N N 238 
PHE N   H2   sing N N 239 
PHE CA  C    sing N N 240 
PHE CA  CB   sing N N 241 
PHE CA  HA   sing N N 242 
PHE C   O    doub N N 243 
PHE C   OXT  sing N N 244 
PHE CB  CG   sing N N 245 
PHE CB  HB2  sing N N 246 
PHE CB  HB3  sing N N 247 
PHE CG  CD1  doub Y N 248 
PHE CG  CD2  sing Y N 249 
PHE CD1 CE1  sing Y N 250 
PHE CD1 HD1  sing N N 251 
PHE CD2 CE2  doub Y N 252 
PHE CD2 HD2  sing N N 253 
PHE CE1 CZ   doub Y N 254 
PHE CE1 HE1  sing N N 255 
PHE CE2 CZ   sing Y N 256 
PHE CE2 HE2  sing N N 257 
PHE CZ  HZ   sing N N 258 
PHE OXT HXT  sing N N 259 
PRO N   CA   sing N N 260 
PRO N   CD   sing N N 261 
PRO N   H    sing N N 262 
PRO CA  C    sing N N 263 
PRO CA  CB   sing N N 264 
PRO CA  HA   sing N N 265 
PRO C   O    doub N N 266 
PRO C   OXT  sing N N 267 
PRO CB  CG   sing N N 268 
PRO CB  HB2  sing N N 269 
PRO CB  HB3  sing N N 270 
PRO CG  CD   sing N N 271 
PRO CG  HG2  sing N N 272 
PRO CG  HG3  sing N N 273 
PRO CD  HD2  sing N N 274 
PRO CD  HD3  sing N N 275 
PRO OXT HXT  sing N N 276 
SER N   CA   sing N N 277 
SER N   H    sing N N 278 
SER N   H2   sing N N 279 
SER CA  C    sing N N 280 
SER CA  CB   sing N N 281 
SER CA  HA   sing N N 282 
SER C   O    doub N N 283 
SER C   OXT  sing N N 284 
SER CB  OG   sing N N 285 
SER CB  HB2  sing N N 286 
SER CB  HB3  sing N N 287 
SER OG  HG   sing N N 288 
SER OXT HXT  sing N N 289 
THR N   CA   sing N N 290 
THR N   H    sing N N 291 
THR N   H2   sing N N 292 
THR CA  C    sing N N 293 
THR CA  CB   sing N N 294 
THR CA  HA   sing N N 295 
THR C   O    doub N N 296 
THR C   OXT  sing N N 297 
THR CB  OG1  sing N N 298 
THR CB  CG2  sing N N 299 
THR CB  HB   sing N N 300 
THR OG1 HG1  sing N N 301 
THR CG2 HG21 sing N N 302 
THR CG2 HG22 sing N N 303 
THR CG2 HG23 sing N N 304 
THR OXT HXT  sing N N 305 
TRP N   CA   sing N N 306 
TRP N   H    sing N N 307 
TRP N   H2   sing N N 308 
TRP CA  C    sing N N 309 
TRP CA  CB   sing N N 310 
TRP CA  HA   sing N N 311 
TRP C   O    doub N N 312 
TRP C   OXT  sing N N 313 
TRP CB  CG   sing N N 314 
TRP CB  HB2  sing N N 315 
TRP CB  HB3  sing N N 316 
TRP CG  CD1  doub Y N 317 
TRP CG  CD2  sing Y N 318 
TRP CD1 NE1  sing Y N 319 
TRP CD1 HD1  sing N N 320 
TRP CD2 CE2  doub Y N 321 
TRP CD2 CE3  sing Y N 322 
TRP NE1 CE2  sing Y N 323 
TRP NE1 HE1  sing N N 324 
TRP CE2 CZ2  sing Y N 325 
TRP CE3 CZ3  doub Y N 326 
TRP CE3 HE3  sing N N 327 
TRP CZ2 CH2  doub Y N 328 
TRP CZ2 HZ2  sing N N 329 
TRP CZ3 CH2  sing Y N 330 
TRP CZ3 HZ3  sing N N 331 
TRP CH2 HH2  sing N N 332 
TRP OXT HXT  sing N N 333 
TYR N   CA   sing N N 334 
TYR N   H    sing N N 335 
TYR N   H2   sing N N 336 
TYR CA  C    sing N N 337 
TYR CA  CB   sing N N 338 
TYR CA  HA   sing N N 339 
TYR C   O    doub N N 340 
TYR C   OXT  sing N N 341 
TYR CB  CG   sing N N 342 
TYR CB  HB2  sing N N 343 
TYR CB  HB3  sing N N 344 
TYR CG  CD1  doub Y N 345 
TYR CG  CD2  sing Y N 346 
TYR CD1 CE1  sing Y N 347 
TYR CD1 HD1  sing N N 348 
TYR CD2 CE2  doub Y N 349 
TYR CD2 HD2  sing N N 350 
TYR CE1 CZ   doub Y N 351 
TYR CE1 HE1  sing N N 352 
TYR CE2 CZ   sing Y N 353 
TYR CE2 HE2  sing N N 354 
TYR CZ  OH   sing N N 355 
TYR OH  HH   sing N N 356 
TYR OXT HXT  sing N N 357 
VAL N   CA   sing N N 358 
VAL N   H    sing N N 359 
VAL N   H2   sing N N 360 
VAL CA  C    sing N N 361 
VAL CA  CB   sing N N 362 
VAL CA  HA   sing N N 363 
VAL C   O    doub N N 364 
VAL C   OXT  sing N N 365 
VAL CB  CG1  sing N N 366 
VAL CB  CG2  sing N N 367 
VAL CB  HB   sing N N 368 
VAL CG1 HG11 sing N N 369 
VAL CG1 HG12 sing N N 370 
VAL CG1 HG13 sing N N 371 
VAL CG2 HG21 sing N N 372 
VAL CG2 HG22 sing N N 373 
VAL CG2 HG23 sing N N 374 
VAL OXT HXT  sing N N 375 
# 
_pdbx_audit_support.funding_organization   'Not funded' 
_pdbx_audit_support.country                ? 
_pdbx_audit_support.grant_number           ? 
_pdbx_audit_support.ordinal                1 
# 
_pdbx_initial_refinement_model.id               1 
_pdbx_initial_refinement_model.entity_id_list   ? 
_pdbx_initial_refinement_model.type             'experimental model' 
_pdbx_initial_refinement_model.source_name      PDB 
_pdbx_initial_refinement_model.accession_code   3I3C 
_pdbx_initial_refinement_model.details          ? 
# 
_atom_sites.entry_id                    9CEA 
_atom_sites.Cartn_transf_matrix[1][1]   ? 
_atom_sites.Cartn_transf_matrix[1][2]   ? 
_atom_sites.Cartn_transf_matrix[1][3]   ? 
_atom_sites.Cartn_transf_matrix[2][1]   ? 
_atom_sites.Cartn_transf_matrix[2][2]   ? 
_atom_sites.Cartn_transf_matrix[2][3]   ? 
_atom_sites.Cartn_transf_matrix[3][1]   ? 
_atom_sites.Cartn_transf_matrix[3][2]   ? 
_atom_sites.Cartn_transf_matrix[3][3]   ? 
_atom_sites.Cartn_transf_vector[1]      ? 
_atom_sites.Cartn_transf_vector[2]      ? 
_atom_sites.Cartn_transf_vector[3]      ? 
_atom_sites.Cartn_transform_axes        ? 
_atom_sites.fract_transf_matrix[1][1]   0.015684 
_atom_sites.fract_transf_matrix[1][2]   0.000000 
_atom_sites.fract_transf_matrix[1][3]   0.000000 
_atom_sites.fract_transf_matrix[2][1]   -0.000000 
_atom_sites.fract_transf_matrix[2][2]   0.014958 
_atom_sites.fract_transf_matrix[2][3]   0.000000 
_atom_sites.fract_transf_matrix[3][1]   0.000000 
_atom_sites.fract_transf_matrix[3][2]   -0.000000 
_atom_sites.fract_transf_matrix[3][3]   0.014103 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
_atom_sites.solution_primary            ? 
_atom_sites.solution_secondary          ? 
_atom_sites.solution_hydrogens          ? 
_atom_sites.special_details             ? 
# 
loop_
_atom_type.symbol 
C 
N 
O 
S 
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
ATOM   1    N N   . ALA A 1 2  ? -14.286 22.597  22.996 1.00 56.57  ? 114 ALA A N   1 
ATOM   2    C CA  . ALA A 1 2  ? -13.080 23.463  22.928 1.00 55.74  ? 114 ALA A CA  1 
ATOM   3    C C   . ALA A 1 2  ? -11.867 22.644  23.367 1.00 53.03  ? 114 ALA A C   1 
ATOM   4    O O   . ALA A 1 2  ? -11.674 22.438  24.564 1.00 53.44  ? 114 ALA A O   1 
ATOM   5    C CB  . ALA A 1 2  ? -13.255 24.690  23.801 1.00 59.97  ? 114 ALA A CB  1 
ATOM   6    N N   . ARG A 1 3  ? -11.065 22.173  22.402 1.00 47.45  ? 115 ARG A N   1 
ATOM   7    C CA  . ARG A 1 3  ? -10.007 21.215  22.701 1.00 51.12  ? 115 ARG A CA  1 
ATOM   8    C C   . ARG A 1 3  ? -8.639  21.663  22.167 1.00 43.28  ? 115 ARG A C   1 
ATOM   9    O O   . ARG A 1 3  ? -8.535  22.452  21.247 1.00 34.91  ? 115 ARG A O   1 
ATOM   10   C CB  . ARG A 1 3  ? -10.318 19.873  22.041 1.00 49.63  ? 115 ARG A CB  1 
ATOM   11   C CG  . ARG A 1 3  ? -11.644 19.224  22.393 1.00 58.54  ? 115 ARG A CG  1 
ATOM   12   C CD  . ARG A 1 3  ? -11.787 17.906  21.657 1.00 53.83  ? 115 ARG A CD  1 
ATOM   13   N NE  . ARG A 1 3  ? -10.949 16.879  22.290 1.00 63.13  ? 115 ARG A NE  1 
ATOM   14   C CZ  . ARG A 1 3  ? -11.156 16.271  23.476 1.00 58.24  ? 115 ARG A CZ  1 
ATOM   15   N NH1 . ARG A 1 3  ? -12.302 16.448  24.134 1.00 52.10  ? 115 ARG A NH1 1 
ATOM   16   N NH2 . ARG A 1 3  ? -10.227 15.445  23.965 1.00 46.69  ? 115 ARG A NH2 1 
ATOM   17   N N   . GLY A 1 4  ? -7.570  21.132  22.761 1.00 41.20  ? 116 GLY A N   1 
ATOM   18   C CA  . GLY A 1 4  ? -6.230  21.341  22.251 1.00 42.02  ? 116 GLY A CA  1 
ATOM   19   C C   . GLY A 1 4  ? -5.878  22.829  22.257 1.00 42.01  ? 116 GLY A C   1 
ATOM   20   O O   . GLY A 1 4  ? -6.038  23.493  23.291 1.00 37.47  ? 116 GLY A O   1 
ATOM   21   N N   . PHE A 1 5  ? -5.356  23.317  21.123 1.00 33.19  ? 117 PHE A N   1 
ATOM   22   C CA  . PHE A 1 5  ? -4.885  24.688  21.053 1.00 37.82  ? 117 PHE A CA  1 
ATOM   23   C C   . PHE A 1 5  ? -6.073  25.649  21.217 1.00 37.32  ? 117 PHE A C   1 
ATOM   24   O O   . PHE A 1 5  ? -5.898  26.733  21.754 1.00 35.67  ? 117 PHE A O   1 
ATOM   25   C CB  . PHE A 1 5  ? -4.106  24.971  19.754 1.00 35.40  ? 117 PHE A CB  1 
ATOM   26   C CG  . PHE A 1 5  ? -2.644  24.535  19.749 1.00 30.60  ? 117 PHE A CG  1 
ATOM   27   C CD1 . PHE A 1 5  ? -1.663  25.248  20.415 1.00 34.88  ? 117 PHE A CD1 1 
ATOM   28   C CD2 . PHE A 1 5  ? -2.286  23.359  19.124 1.00 35.97  ? 117 PHE A CD2 1 
ATOM   29   C CE1 . PHE A 1 5  ? -0.348  24.806  20.405 1.00 42.41  ? 117 PHE A CE1 1 
ATOM   30   C CE2 . PHE A 1 5  ? -0.975  22.912  19.120 1.00 34.40  ? 117 PHE A CE2 1 
ATOM   31   C CZ  . PHE A 1 5  ? -0.012  23.625  19.761 1.00 34.07  ? 117 PHE A CZ  1 
ATOM   32   N N   . GLU A 1 6  ? -7.273  25.215  20.811 1.00 36.82  ? 118 GLU A N   1 
ATOM   33   C CA  . GLU A 1 6  ? -8.496  26.000  20.939 1.00 48.00  ? 118 GLU A CA  1 
ATOM   34   C C   . GLU A 1 6  ? -8.773  26.404  22.387 1.00 46.67  ? 118 GLU A C   1 
ATOM   35   O O   . GLU A 1 6  ? -9.526  27.335  22.616 1.00 54.73  ? 118 GLU A O   1 
ATOM   36   C CB  . GLU A 1 6  ? -9.710  25.230  20.414 1.00 54.31  ? 118 GLU A CB  1 
ATOM   37   C CG  . GLU A 1 6  ? -10.671 26.068  19.573 1.00 69.29  ? 118 GLU A CG  1 
ATOM   38   C CD  . GLU A 1 6  ? -11.868 25.309  18.998 1.00 80.20  ? 118 GLU A CD  1 
ATOM   39   O OE1 . GLU A 1 6  ? -12.154 24.202  19.523 1.00 91.12  ? 118 GLU A OE1 1 
ATOM   40   O OE2 . GLU A 1 6  ? -12.486 25.779  18.004 1.00 65.91  ? 118 GLU A OE2 1 
ATOM   41   N N   . ARG A 1 7  ? -8.168  25.720  23.363 1.00 39.00  ? 119 ARG A N   1 
ATOM   42   C CA  . ARG A 1 7  ? -8.419  26.006  24.764 1.00 44.49  ? 119 ARG A CA  1 
ATOM   43   C C   . ARG A 1 7  ? -7.672  27.261  25.193 1.00 49.41  ? 119 ARG A C   1 
ATOM   44   O O   . ARG A 1 7  ? -7.885  27.745  26.304 1.00 46.15  ? 119 ARG A O   1 
ATOM   45   C CB  . ARG A 1 7  ? -7.976  24.859  25.683 1.00 39.34  ? 119 ARG A CB  1 
ATOM   46   C CG  . ARG A 1 7  ? -8.816  23.611  25.473 1.00 39.40  ? 119 ARG A CG  1 
ATOM   47   C CD  . ARG A 1 7  ? -8.222  22.362  26.115 1.00 39.07  ? 119 ARG A CD  1 
ATOM   48   N NE  . ARG A 1 7  ? -7.823  22.538  27.517 1.00 40.29  ? 119 ARG A NE  1 
ATOM   49   C CZ  . ARG A 1 7  ? -7.335  21.578  28.320 1.00 42.81  ? 119 ARG A CZ  1 
ATOM   50   N NH1 . ARG A 1 7  ? -7.107  21.832  29.599 1.00 45.29  ? 119 ARG A NH1 1 
ATOM   51   N NH2 . ARG A 1 7  ? -7.063  20.365  27.872 1.00 37.61  ? 119 ARG A NH2 1 
ATOM   52   N N   . GLY A 1 8  ? -6.734  27.720  24.363 1.00 47.04  ? 120 GLY A N   1 
ATOM   53   C CA  . GLY A 1 8  ? -6.055  28.972  24.628 1.00 46.86  ? 120 GLY A CA  1 
ATOM   54   C C   . GLY A 1 8  ? -5.041  28.890  25.763 1.00 44.76  ? 120 GLY A C   1 
ATOM   55   O O   . GLY A 1 8  ? -4.694  29.954  26.285 1.00 49.16  ? 120 GLY A O   1 
ATOM   56   N N   . LEU A 1 9  ? -4.569  27.675  26.131 1.00 37.11  ? 121 LEU A N   1 
ATOM   57   C CA  . LEU A 1 9  ? -3.571  27.546  27.199 1.00 39.99  ? 121 LEU A CA  1 
ATOM   58   C C   . LEU A 1 9  ? -2.158  27.510  26.620 1.00 40.21  ? 121 LEU A C   1 
ATOM   59   O O   . LEU A 1 9  ? -1.997  27.307  25.430 1.00 41.63  ? 121 LEU A O   1 
ATOM   60   C CB  . LEU A 1 9  ? -3.808  26.304  28.055 1.00 37.37  ? 121 LEU A CB  1 
ATOM   61   C CG  . LEU A 1 9  ? -5.238  26.080  28.555 1.00 43.51  ? 121 LEU A CG  1 
ATOM   62   C CD1 . LEU A 1 9  ? -5.252  24.819  29.402 1.00 47.36  ? 121 LEU A CD1 1 
ATOM   63   C CD2 . LEU A 1 9  ? -5.736  27.264  29.375 1.00 39.66  ? 121 LEU A CD2 1 
ATOM   64   N N   . GLU A 1 10 ? -1.154  27.692  27.484 1.00 42.35  ? 122 GLU A N   1 
ATOM   65   C CA  . GLU A 1 10 ? 0.239   27.637  27.090 1.00 41.95  ? 122 GLU A CA  1 
ATOM   66   C C   . GLU A 1 10 ? 0.666   26.178  27.002 1.00 44.65  ? 122 GLU A C   1 
ATOM   67   O O   . GLU A 1 10 ? 0.448   25.436  27.957 1.00 38.98  ? 122 GLU A O   1 
ATOM   68   C CB  . GLU A 1 10 ? 1.236   28.225  28.089 1.00 41.52  ? 122 GLU A CB  1 
ATOM   69   C CG  . GLU A 1 10 ? 1.108   29.735  28.287 1.00 47.60  ? 122 GLU A CG  1 
ATOM   70   C CD  . GLU A 1 10 ? 0.431   30.380  27.101 1.00 46.95  ? 122 GLU A CD  1 
ATOM   71   O OE1 . GLU A 1 10 ? 1.065   30.517  26.039 1.00 62.91  ? 122 GLU A OE1 1 
ATOM   72   O OE2 . GLU A 1 10 ? -0.785  30.652  27.215 1.00 62.95  ? 122 GLU A OE2 1 
ATOM   73   N N   . PRO A 1 11 ? 1.317   25.737  25.901 1.00 35.12  ? 123 PRO A N   1 
ATOM   74   C CA  . PRO A 1 11 ? 1.826   24.373  25.812 1.00 39.91  ? 123 PRO A CA  1 
ATOM   75   C C   . PRO A 1 11 ? 2.878   24.187  26.878 1.00 38.38  ? 123 PRO A C   1 
ATOM   76   O O   . PRO A 1 11 ? 3.683   25.092  27.111 1.00 40.80  ? 123 PRO A O   1 
ATOM   77   C CB  . PRO A 1 11 ? 2.418   24.225  24.397 1.00 41.52  ? 123 PRO A CB  1 
ATOM   78   C CG  . PRO A 1 11 ? 2.500   25.612  23.860 1.00 39.81  ? 123 PRO A CG  1 
ATOM   79   C CD  . PRO A 1 11 ? 1.580   26.512  24.688 1.00 39.05  ? 123 PRO A CD  1 
ATOM   80   N N   . GLU A 1 12 ? 2.879   23.027  27.522 1.00 33.92  ? 124 GLU A N   1 
ATOM   81   C CA  . GLU A 1 12 ? 3.909   22.800  28.525 1.00 34.61  ? 124 GLU A CA  1 
ATOM   82   C C   . GLU A 1 12 ? 4.829   21.665  28.110 1.00 37.93  ? 124 GLU A C   1 
ATOM   83   O O   . GLU A 1 12 ? 6.047   21.841  28.130 1.00 39.52  ? 124 GLU A O   1 
ATOM   84   C CB  . GLU A 1 12 ? 3.249   22.573  29.868 1.00 33.38  ? 124 GLU A CB  1 
ATOM   85   C CG  . GLU A 1 12 ? 4.222   22.280  30.996 1.00 47.05  ? 124 GLU A CG  1 
ATOM   86   C CD  . GLU A 1 12 ? 3.432   22.246  32.296 1.00 45.88  ? 124 GLU A CD  1 
ATOM   87   O OE1 . GLU A 1 12 ? 3.189   23.362  32.756 1.00 49.72  ? 124 GLU A OE1 1 
ATOM   88   O OE2 . GLU A 1 12 ? 2.978   21.184  32.731 1.00 44.94  ? 124 GLU A OE2 1 
ATOM   89   N N   . LYS A 1 13 ? 4.258   20.495  27.792 1.00 38.33  ? 125 LYS A N   1 
ATOM   90   C CA  . LYS A 1 13 ? 5.073   19.308  27.550 1.00 40.22  ? 125 LYS A CA  1 
ATOM   91   C C   . LYS A 1 13 ? 4.255   18.304  26.743 1.00 35.95  ? 125 LYS A C   1 
ATOM   92   O O   . LYS A 1 13 ? 3.058   18.141  26.982 1.00 29.84  ? 125 LYS A O   1 
ATOM   93   C CB  . LYS A 1 13 ? 5.510   18.724  28.904 1.00 39.46  ? 125 LYS A CB  1 
ATOM   94   C CG  . LYS A 1 13 ? 6.278   17.409  28.998 1.00 42.63  ? 125 LYS A CG  1 
ATOM   95   C CD  . LYS A 1 13 ? 6.246   16.904  30.450 1.00 43.88  ? 125 LYS A CD  1 
ATOM   96   C CE  . LYS A 1 13 ? 7.295   15.918  30.827 1.00 53.73  ? 125 LYS A CE  1 
ATOM   97   N NZ  . LYS A 1 13 ? 7.116   14.622  30.168 1.00 60.90  ? 125 LYS A NZ  1 
ATOM   98   N N   . ILE A 1 14 ? 4.890   17.690  25.744 1.00 32.49  ? 126 ILE A N   1 
ATOM   99   C CA  . ILE A 1 14 ? 4.271   16.611  24.999 1.00 33.32  ? 126 ILE A CA  1 
ATOM   100  C C   . ILE A 1 14 ? 4.684   15.320  25.677 1.00 34.04  ? 126 ILE A C   1 
ATOM   101  O O   . ILE A 1 14 ? 5.882   15.150  25.930 1.00 35.19  ? 126 ILE A O   1 
ATOM   102  C CB  . ILE A 1 14 ? 4.678   16.626  23.514 1.00 35.18  ? 126 ILE A CB  1 
ATOM   103  C CG1 . ILE A 1 14 ? 4.106   17.843  22.787 1.00 32.72  ? 126 ILE A CG1 1 
ATOM   104  C CG2 . ILE A 1 14 ? 4.286   15.309  22.861 1.00 33.69  ? 126 ILE A CG2 1 
ATOM   105  C CD1 . ILE A 1 14 ? 4.828   18.164  21.511 1.00 37.20  ? 126 ILE A CD1 1 
ATOM   106  N N   . ILE A 1 15 ? 3.704   14.445  25.927 1.00 32.12  ? 127 ILE A N   1 
ATOM   107  C CA  . ILE A 1 15 ? 3.938   13.269  26.739 1.00 34.28  ? 127 ILE A CA  1 
ATOM   108  C C   . ILE A 1 15 ? 3.756   12.000  25.922 1.00 38.58  ? 127 ILE A C   1 
ATOM   109  O O   . ILE A 1 15 ? 4.112   10.936  26.414 1.00 43.08  ? 127 ILE A O   1 
ATOM   110  C CB  . ILE A 1 15 ? 3.086   13.334  28.012 1.00 40.86  ? 127 ILE A CB  1 
ATOM   111  C CG1 . ILE A 1 15 ? 1.620   13.410  27.709 1.00 46.01  ? 127 ILE A CG1 1 
ATOM   112  C CG2 . ILE A 1 15 ? 3.558   14.516  28.858 1.00 39.99  ? 127 ILE A CG2 1 
ATOM   113  C CD1 . ILE A 1 15 ? 0.786   14.043  28.818 1.00 52.42  ? 127 ILE A CD1 1 
ATOM   114  N N   . GLY A 1 16 ? 3.412   12.134  24.631 1.00 30.29  ? 128 GLY A N   1 
ATOM   115  C CA  . GLY A 1 16 ? 3.219   10.966  23.792 1.00 27.96  ? 128 GLY A CA  1 
ATOM   116  C C   . GLY A 1 16 ? 2.768   11.352  22.386 1.00 27.50  ? 128 GLY A C   1 
ATOM   117  O O   . GLY A 1 16 ? 2.308   12.475  22.140 1.00 22.47  ? 128 GLY A O   1 
ATOM   118  N N   . ALA A 1 17 ? 2.974   10.411  21.462 1.00 28.27  ? 129 ALA A N   1 
ATOM   119  C CA  . ALA A 1 17 ? 2.677   10.644  20.060 1.00 27.80  ? 129 ALA A CA  1 
ATOM   120  C C   . ALA A 1 17 ? 2.078   9.376   19.450 1.00 26.51  ? 129 ALA A C   1 
ATOM   121  O O   . ALA A 1 17 ? 2.404   8.266   19.869 1.00 25.36  ? 129 ALA A O   1 
ATOM   122  C CB  . ALA A 1 17 ? 3.965   11.056  19.366 1.00 27.39  ? 129 ALA A CB  1 
ATOM   123  N N   . THR A 1 18 ? 1.187   9.556   18.483 1.00 23.12  ? 130 THR A N   1 
ATOM   124  C CA  . THR A 1 18 ? 0.610   8.436   17.780 1.00 27.13  ? 130 THR A CA  1 
ATOM   125  C C   . THR A 1 18 ? 0.194   8.906   16.396 1.00 29.19  ? 130 THR A C   1 
ATOM   126  O O   . THR A 1 18 ? -0.439  9.946   16.302 1.00 30.74  ? 130 THR A O   1 
ATOM   127  C CB  . THR A 1 18 ? -0.584  7.832   18.517 1.00 32.81  ? 130 THR A CB  1 
ATOM   128  O OG1 . THR A 1 18 ? -1.133  6.867   17.620 1.00 29.83  ? 130 THR A OG1 1 
ATOM   129  C CG2 . THR A 1 18 ? -1.684  8.818   18.868 1.00 29.48  ? 130 THR A CG2 1 
ATOM   130  N N   . ASP A 1 19 ? 0.545   8.101   15.376 1.00 30.43  ? 131 ASP A N   1 
ATOM   131  C CA  . ASP A 1 19 ? 0.045   8.300   14.021 1.00 41.26  ? 131 ASP A CA  1 
ATOM   132  C C   . ASP A 1 19 ? -1.045  7.279   13.689 1.00 42.98  ? 131 ASP A C   1 
ATOM   133  O O   . ASP A 1 19 ? -1.427  7.136   12.526 1.00 44.08  ? 131 ASP A O   1 
ATOM   134  C CB  . ASP A 1 19 ? 1.138   8.237   12.958 1.00 40.90  ? 131 ASP A CB  1 
ATOM   135  C CG  . ASP A 1 19 ? 1.867   6.915   12.807 1.00 44.72  ? 131 ASP A CG  1 
ATOM   136  O OD1 . ASP A 1 19 ? 1.523   5.949   13.536 1.00 44.95  ? 131 ASP A OD1 1 
ATOM   137  O OD2 . ASP A 1 19 ? 2.813   6.883   12.001 1.00 56.56  ? 131 ASP A OD2 1 
ATOM   138  N N   . SER A 1 20 ? -1.582  6.621   14.720 1.00 39.95  ? 132 SER A N   1 
ATOM   139  C CA  . SER A 1 20 ? -2.471  5.499   14.500 1.00 42.32  ? 132 SER A CA  1 
ATOM   140  C C   . SER A 1 20 ? -3.716  5.951   13.733 1.00 40.59  ? 132 SER A C   1 
ATOM   141  O O   . SER A 1 20 ? -4.283  5.153   13.018 1.00 41.58  ? 132 SER A O   1 
ATOM   142  C CB  . SER A 1 20 ? -2.800  4.790   15.762 1.00 37.20  ? 132 SER A CB  1 
ATOM   143  O OG  . SER A 1 20 ? -3.932  5.425   16.304 1.00 46.85  ? 132 SER A OG  1 
ATOM   144  N N   . CYS A 1 21 ? -4.062  7.232   13.764 1.00 38.84  ? 133 CYS A N   1 
ATOM   145  C CA  . CYS A 1 21 ? -5.257  7.659   13.057 1.00 46.16  ? 133 CYS A CA  1 
ATOM   146  C C   . CYS A 1 21 ? -4.966  8.083   11.609 1.00 46.66  ? 133 CYS A C   1 
ATOM   147  O O   . CYS A 1 21 ? -5.871  8.588   10.950 1.00 44.22  ? 133 CYS A O   1 
ATOM   148  C CB  . CYS A 1 21 ? -5.898  8.836   13.761 1.00 46.40  ? 133 CYS A CB  1 
ATOM   149  S SG  . CYS A 1 21 ? -5.164  10.378  13.183 1.00 71.29  ? 133 CYS A SG  1 
ATOM   150  N N   . GLY A 1 22 ? -3.750  7.878   11.101 1.00 48.92  ? 134 GLY A N   1 
ATOM   151  C CA  . GLY A 1 22 ? -3.435  8.333   9.749  1.00 46.16  ? 134 GLY A CA  1 
ATOM   152  C C   . GLY A 1 22 ? -2.570  9.588   9.746  1.00 47.89  ? 134 GLY A C   1 
ATOM   153  O O   . GLY A 1 22 ? -1.840  9.796   8.776  1.00 42.09  ? 134 GLY A O   1 
ATOM   154  N N   . ASP A 1 23 ? -2.679  10.410  10.809 1.00 45.14  ? 135 ASP A N   1 
ATOM   155  C CA  . ASP A 1 23 ? -1.954  11.668  10.995 1.00 46.95  ? 135 ASP A CA  1 
ATOM   156  C C   . ASP A 1 23 ? -1.231  11.637  12.355 1.00 37.96  ? 135 ASP A C   1 
ATOM   157  O O   . ASP A 1 23 ? -1.798  11.232  13.354 1.00 33.14  ? 135 ASP A O   1 
ATOM   158  C CB  . ASP A 1 23 ? -2.865  12.886  11.142 1.00 51.35  ? 135 ASP A CB  1 
ATOM   159  C CG  . ASP A 1 23 ? -3.451  13.505  9.886  1.00 66.14  ? 135 ASP A CG  1 
ATOM   160  O OD1 . ASP A 1 23 ? -2.897  13.242  8.798  1.00 78.90  ? 135 ASP A OD1 1 
ATOM   161  O OD2 . ASP A 1 23 ? -4.458  14.247  10.025 1.00 65.38  ? 135 ASP A OD2 1 
ATOM   162  N N   . LEU A 1 24 ? 0.000   12.149  12.412 1.00 32.62  ? 136 LEU A N   1 
ATOM   163  C CA  . LEU A 1 24 ? 0.749   12.219  13.653 1.00 31.78  ? 136 LEU A CA  1 
ATOM   164  C C   . LEU A 1 24 ? 0.088   13.232  14.582 1.00 30.26  ? 136 LEU A C   1 
ATOM   165  O O   . LEU A 1 24 ? -0.210  14.370  14.195 1.00 24.75  ? 136 LEU A O   1 
ATOM   166  C CB  . LEU A 1 24 ? 2.199   12.560  13.370 1.00 28.14  ? 136 LEU A CB  1 
ATOM   167  C CG  . LEU A 1 24 ? 3.129   12.484  14.575 1.00 30.72  ? 136 LEU A CG  1 
ATOM   168  C CD1 . LEU A 1 24 ? 3.259   11.065  15.129 1.00 28.28  ? 136 LEU A CD1 1 
ATOM   169  C CD2 . LEU A 1 24 ? 4.512   13.042  14.184 1.00 31.55  ? 136 LEU A CD2 1 
ATOM   170  N N   . MET A 1 25 ? -0.212  12.761  15.801 1.00 30.70  ? 137 MET A N   1 
ATOM   171  C CA  . MET A 1 25 ? -0.851  13.571  16.823 1.00 25.80  ? 137 MET A CA  1 
ATOM   172  C C   . MET A 1 25 ? 0.028   13.485  18.060 1.00 27.70  ? 137 MET A C   1 
ATOM   173  O O   . MET A 1 25 ? 0.604   12.420  18.297 1.00 26.62  ? 137 MET A O   1 
ATOM   174  C CB  . MET A 1 25 ? -2.216  12.994  17.207 1.00 27.65  ? 137 MET A CB  1 
ATOM   175  C CG  . MET A 1 25 ? -3.152  12.806  16.061 1.00 34.32  ? 137 MET A CG  1 
ATOM   176  S SD  . MET A 1 25 ? -3.860  14.398  15.631 1.00 38.10  ? 137 MET A SD  1 
ATOM   177  C CE  . MET A 1 25 ? -5.089  13.807  14.454 1.00 52.59  ? 137 MET A CE  1 
ATOM   178  N N   . PHE A 1 26 ? 0.062   14.585  18.824 1.00 25.16  ? 138 PHE A N   1 
ATOM   179  C CA  . PHE A 1 26 ? 0.758   14.638  20.097 1.00 26.66  ? 138 PHE A CA  1 
ATOM   180  C C   . PHE A 1 26 ? -0.242  14.767  21.228 1.00 26.78  ? 138 PHE A C   1 
ATOM   181  O O   . PHE A 1 26 ? -1.225  15.472  21.111 1.00 25.99  ? 138 PHE A O   1 
ATOM   182  C CB  . PHE A 1 26 ? 1.739   15.805  20.236 1.00 25.41  ? 138 PHE A CB  1 
ATOM   183  C CG  . PHE A 1 26 ? 2.960   15.768  19.331 1.00 27.70  ? 138 PHE A CG  1 
ATOM   184  C CD1 . PHE A 1 26 ? 3.755   14.633  19.245 1.00 29.79  ? 138 PHE A CD1 1 
ATOM   185  C CD2 . PHE A 1 26 ? 3.294   16.873  18.554 1.00 26.21  ? 138 PHE A CD2 1 
ATOM   186  C CE1 . PHE A 1 26 ? 4.866   14.597  18.421 1.00 27.95  ? 138 PHE A CE1 1 
ATOM   187  C CE2 . PHE A 1 26 ? 4.420   16.837  17.744 1.00 25.79  ? 138 PHE A CE2 1 
ATOM   188  C CZ  . PHE A 1 26 ? 5.202   15.703  17.675 1.00 27.65  ? 138 PHE A CZ  1 
ATOM   189  N N   . LEU A 1 27 ? 0.050   14.079  22.331 1.00 28.18  ? 139 LEU A N   1 
ATOM   190  C CA  . LEU A 1 27 ? -0.684  14.273  23.565 1.00 29.49  ? 139 LEU A CA  1 
ATOM   191  C C   . LEU A 1 27 ? -0.004  15.384  24.360 1.00 26.79  ? 139 LEU A C   1 
ATOM   192  O O   . LEU A 1 27 ? 1.123   15.236  24.825 1.00 26.37  ? 139 LEU A O   1 
ATOM   193  C CB  . LEU A 1 27 ? -0.733  12.960  24.331 1.00 29.65  ? 139 LEU A CB  1 
ATOM   194  C CG  . LEU A 1 27 ? -1.533  12.938  25.630 1.00 28.97  ? 139 LEU A CG  1 
ATOM   195  C CD1 . LEU A 1 27 ? -2.994  13.262  25.351 1.00 29.26  ? 139 LEU A CD1 1 
ATOM   196  C CD2 . LEU A 1 27 ? -1.380  11.556  26.282 1.00 33.24  ? 139 LEU A CD2 1 
ATOM   197  N N   . MET A 1 28 ? -0.696  16.526  24.426 1.00 26.78  ? 140 MET A N   1 
ATOM   198  C CA  . MET A 1 28 ? -0.157  17.748  24.999 1.00 27.63  ? 140 MET A CA  1 
ATOM   199  C C   . MET A 1 28 ? -0.652  17.936  26.429 1.00 32.98  ? 140 MET A C   1 
ATOM   200  O O   . MET A 1 28 ? -1.855  17.919  26.703 1.00 32.94  ? 140 MET A O   1 
ATOM   201  C CB  . MET A 1 28 ? -0.589  18.957  24.176 1.00 27.09  ? 140 MET A CB  1 
ATOM   202  C CG  . MET A 1 28 ? -0.013  20.265  24.691 1.00 30.36  ? 140 MET A CG  1 
ATOM   203  S SD  . MET A 1 28 ? 1.768   20.506  24.559 1.00 30.83  ? 140 MET A SD  1 
ATOM   204  C CE  . MET A 1 28 ? 1.767   20.816  22.799 1.00 33.55  ? 140 MET A CE  1 
ATOM   205  N N   . LYS A 1 29 ? 0.307   18.135  27.332 1.00 34.56  ? 141 LYS A N   1 
ATOM   206  C CA  . LYS A 1 29 ? 0.089   18.726  28.635 1.00 34.49  ? 141 LYS A CA  1 
ATOM   207  C C   . LYS A 1 29 ? 0.159   20.259  28.516 1.00 38.08  ? 141 LYS A C   1 
ATOM   208  O O   . LYS A 1 29 ? 1.157   20.830  28.036 1.00 35.26  ? 141 LYS A O   1 
ATOM   209  C CB  . LYS A 1 29 ? 1.227   18.258  29.544 1.00 35.31  ? 141 LYS A CB  1 
ATOM   210  C CG  . LYS A 1 29 ? 1.291   18.859  30.940 1.00 41.59  ? 141 LYS A CG  1 
ATOM   211  C CD  . LYS A 1 29 ? 0.090   18.540  31.810 1.00 47.69  ? 141 LYS A CD  1 
ATOM   212  C CE  . LYS A 1 29 ? 0.257   19.084  33.214 1.00 58.31  ? 141 LYS A CE  1 
ATOM   213  N NZ  . LYS A 1 29 ? 0.175   20.551  33.272 1.00 52.26  ? 141 LYS A NZ  1 
ATOM   214  N N   . TRP A 1 30 ? -0.918  20.907  28.977 1.00 34.53  ? 142 TRP A N   1 
ATOM   215  C CA  . TRP A 1 30 ? -1.026  22.353  28.965 1.00 36.66  ? 142 TRP A CA  1 
ATOM   216  C C   . TRP A 1 30 ? -0.630  22.922  30.319 1.00 42.34  ? 142 TRP A C   1 
ATOM   217  O O   . TRP A 1 30 ? -0.793  22.271  31.335 1.00 45.35  ? 142 TRP A O   1 
ATOM   218  C CB  . TRP A 1 30 ? -2.448  22.769  28.598 1.00 33.17  ? 142 TRP A CB  1 
ATOM   219  C CG  . TRP A 1 30 ? -2.904  22.255  27.263 1.00 40.22  ? 142 TRP A CG  1 
ATOM   220  C CD1 . TRP A 1 30 ? -3.735  21.197  27.036 1.00 35.52  ? 142 TRP A CD1 1 
ATOM   221  C CD2 . TRP A 1 30 ? -2.514  22.761  25.964 1.00 33.53  ? 142 TRP A CD2 1 
ATOM   222  N NE1 . TRP A 1 30 ? -3.925  21.041  25.688 1.00 35.04  ? 142 TRP A NE1 1 
ATOM   223  C CE2 . TRP A 1 30 ? -3.173  21.963  25.015 1.00 35.50  ? 142 TRP A CE2 1 
ATOM   224  C CE3 . TRP A 1 30 ? -1.671  23.780  25.525 1.00 34.97  ? 142 TRP A CE3 1 
ATOM   225  C CZ2 . TRP A 1 30 ? -3.025  22.166  23.649 1.00 34.39  ? 142 TRP A CZ2 1 
ATOM   226  C CZ3 . TRP A 1 30 ? -1.542  23.988  24.166 1.00 34.60  ? 142 TRP A CZ3 1 
ATOM   227  C CH2 . TRP A 1 30 ? -2.208  23.193  23.240 1.00 34.74  ? 142 TRP A CH2 1 
ATOM   228  N N   . LYS A 1 31 ? -0.135  24.160  30.320 1.00 46.27  ? 143 LYS A N   1 
ATOM   229  C CA  . LYS A 1 31 ? 0.238   24.854  31.542 1.00 50.30  ? 143 LYS A CA  1 
ATOM   230  C C   . LYS A 1 31 ? -0.990  25.047  32.437 1.00 46.81  ? 143 LYS A C   1 
ATOM   231  O O   . LYS A 1 31 ? -2.033  25.463  31.961 1.00 40.26  ? 143 LYS A O   1 
ATOM   232  C CB  . LYS A 1 31 ? 0.918   26.181  31.205 1.00 53.68  ? 143 LYS A CB  1 
ATOM   233  C CG  . LYS A 1 31 ? 2.043   26.565  32.129 1.00 66.27  ? 143 LYS A CG  1 
ATOM   234  C CD  . LYS A 1 31 ? 2.634   27.931  31.804 1.00 75.36  ? 143 LYS A CD  1 
ATOM   235  C CE  . LYS A 1 31 ? 1.638   29.063  31.810 1.00 73.42  ? 143 LYS A CE  1 
ATOM   236  N NZ  . LYS A 1 31 ? 0.817   29.079  33.020 1.00 68.58  ? 143 LYS A NZ  1 
ATOM   237  N N   . ASP A 1 32 ? -0.841  24.654  33.707 1.00 50.14  ? 144 ASP A N   1 
ATOM   238  C CA  . ASP A 1 32 ? -1.862  24.744  34.734 1.00 55.03  ? 144 ASP A CA  1 
ATOM   239  C C   . ASP A 1 32 ? -3.181  24.080  34.307 1.00 52.25  ? 144 ASP A C   1 
ATOM   240  O O   . ASP A 1 32 ? -4.243  24.663  34.502 1.00 51.96  ? 144 ASP A O   1 
ATOM   241  C CB  . ASP A 1 32 ? -2.122  26.189  35.139 1.00 52.48  ? 144 ASP A CB  1 
ATOM   242  C CG  . ASP A 1 32 ? -0.924  27.024  35.546 1.00 50.40  ? 144 ASP A CG  1 
ATOM   243  O OD1 . ASP A 1 32 ? -0.024  26.512  36.258 1.00 47.77  ? 144 ASP A OD1 1 
ATOM   244  O OD2 . ASP A 1 32 ? -0.912  28.191  35.131 1.00 53.24  ? 144 ASP A OD2 1 
ATOM   245  N N   . THR A 1 33 ? -3.147  22.895  33.677 1.00 49.77  ? 145 THR A N   1 
ATOM   246  C CA  . THR A 1 33 ? -4.272  21.975  33.769 1.00 50.70  ? 145 THR A CA  1 
ATOM   247  C C   . THR A 1 33 ? -3.752  20.549  33.684 1.00 50.02  ? 145 THR A C   1 
ATOM   248  O O   . THR A 1 33 ? -2.694  20.271  33.129 1.00 58.65  ? 145 THR A O   1 
ATOM   249  C CB  . THR A 1 33 ? -5.388  22.133  32.741 1.00 48.42  ? 145 THR A CB  1 
ATOM   250  O OG1 . THR A 1 33 ? -5.088  21.392  31.574 1.00 58.20  ? 145 THR A OG1 1 
ATOM   251  C CG2 . THR A 1 33 ? -5.754  23.557  32.386 1.00 65.01  ? 145 THR A CG2 1 
ATOM   252  N N   . ASP A 1 34 ? -4.574  19.653  34.210 1.00 52.73  ? 146 ASP A N   1 
ATOM   253  C CA  . ASP A 1 34 ? -4.260  18.237  34.269 1.00 53.27  ? 146 ASP A CA  1 
ATOM   254  C C   . ASP A 1 34 ? -5.061  17.469  33.233 1.00 48.13  ? 146 ASP A C   1 
ATOM   255  O O   . ASP A 1 34 ? -4.946  16.249  33.194 1.00 54.04  ? 146 ASP A O   1 
ATOM   256  C CB  . ASP A 1 34 ? -4.505  17.716  35.676 1.00 58.69  ? 146 ASP A CB  1 
ATOM   257  C CG  . ASP A 1 34 ? -3.699  18.450  36.731 1.00 55.45  ? 146 ASP A CG  1 
ATOM   258  O OD1 . ASP A 1 34 ? -2.462  18.525  36.566 1.00 57.87  ? 146 ASP A OD1 1 
ATOM   259  O OD2 . ASP A 1 34 ? -4.314  18.948  37.703 1.00 81.10  ? 146 ASP A OD2 1 
ATOM   260  N N   . GLU A 1 35 ? -5.855  18.181  32.414 1.00 41.74  ? 147 GLU A N   1 
ATOM   261  C CA  . GLU A 1 35 ? -6.520  17.569  31.275 1.00 45.65  ? 147 GLU A CA  1 
ATOM   262  C C   . GLU A 1 35 ? -5.651  17.735  30.024 1.00 41.51  ? 147 GLU A C   1 
ATOM   263  O O   . GLU A 1 35 ? -5.458  18.837  29.517 1.00 32.83  ? 147 GLU A O   1 
ATOM   264  C CB  . GLU A 1 35 ? -7.909  18.190  31.084 1.00 53.19  ? 147 GLU A CB  1 
ATOM   265  C CG  . GLU A 1 35 ? -8.951  17.197  30.577 1.00 61.06  ? 147 GLU A CG  1 
ATOM   266  C CD  . GLU A 1 35 ? -9.994  17.708  29.577 1.00 64.64  ? 147 GLU A CD  1 
ATOM   267  O OE1 . GLU A 1 35 ? -10.089 18.912  29.239 1.00 71.92  ? 147 GLU A OE1 1 
ATOM   268  O OE2 . GLU A 1 35 ? -10.733 16.829  29.110 1.00 65.55  ? 147 GLU A OE2 1 
ATOM   269  N N   . ALA A 1 36 ? -5.080  16.622  29.573 1.00 37.70  ? 148 ALA A N   1 
ATOM   270  C CA  . ALA A 1 36 ? -4.246  16.586  28.392 1.00 36.30  ? 148 ALA A CA  1 
ATOM   271  C C   . ALA A 1 36 ? -5.136  16.302  27.194 1.00 33.36  ? 148 ALA A C   1 
ATOM   272  O O   . ALA A 1 36 ? -6.168  15.651  27.374 1.00 33.88  ? 148 ALA A O   1 
ATOM   273  C CB  . ALA A 1 36 ? -3.172  15.510  28.575 1.00 41.06  ? 148 ALA A CB  1 
ATOM   274  N N   . ASP A 1 37 ? -4.652  16.663  25.997 1.00 33.97  ? 149 ASP A N   1 
ATOM   275  C CA  . ASP A 1 37 ? -5.413  16.609  24.761 1.00 37.60  ? 149 ASP A CA  1 
ATOM   276  C C   . ASP A 1 37 ? -4.558  16.226  23.562 1.00 32.82  ? 149 ASP A C   1 
ATOM   277  O O   . ASP A 1 37 ? -3.404  16.616  23.532 1.00 32.15  ? 149 ASP A O   1 
ATOM   278  C CB  . ASP A 1 37 ? -5.773  18.045  24.368 1.00 44.64  ? 149 ASP A CB  1 
ATOM   279  C CG  . ASP A 1 37 ? -7.183  18.396  24.761 1.00 49.09  ? 149 ASP A CG  1 
ATOM   280  O OD1 . ASP A 1 37 ? -8.044  17.522  24.570 1.00 62.36  ? 149 ASP A OD1 1 
ATOM   281  O OD2 . ASP A 1 37 ? -7.389  19.532  25.161 1.00 43.36  ? 149 ASP A OD2 1 
ATOM   282  N N   . LEU A 1 38 ? -5.192  15.703  22.498 1.00 30.42  ? 150 LEU A N   1 
ATOM   283  C CA  . LEU A 1 38 ? -4.491  15.453  21.240 1.00 35.54  ? 150 LEU A CA  1 
ATOM   284  C C   . LEU A 1 38 ? -4.454  16.710  20.350 1.00 35.65  ? 150 LEU A C   1 
ATOM   285  O O   . LEU A 1 38 ? -5.479  17.351  20.111 1.00 34.25  ? 150 LEU A O   1 
ATOM   286  C CB  . LEU A 1 38 ? -5.120  14.281  20.483 1.00 36.16  ? 150 LEU A CB  1 
ATOM   287  C CG  . LEU A 1 38 ? -4.835  12.868  21.015 1.00 33.72  ? 150 LEU A CG  1 
ATOM   288  C CD1 . LEU A 1 38 ? -5.409  11.910  19.975 1.00 28.15  ? 150 LEU A CD1 1 
ATOM   289  C CD2 . LEU A 1 38 ? -3.343  12.529  21.314 1.00 30.25  ? 150 LEU A CD2 1 
ATOM   290  N N   . VAL A 1 39 ? -3.265  17.058  19.834 1.00 28.03  ? 151 VAL A N   1 
ATOM   291  C CA  . VAL A 1 39 ? -3.147  18.091  18.817 1.00 28.77  ? 151 VAL A CA  1 
ATOM   292  C C   . VAL A 1 39 ? -2.406  17.508  17.617 1.00 27.54  ? 151 VAL A C   1 
ATOM   293  O O   . VAL A 1 39 ? -1.675  16.538  17.773 1.00 26.72  ? 151 VAL A O   1 
ATOM   294  C CB  . VAL A 1 39 ? -2.395  19.296  19.387 1.00 28.84  ? 151 VAL A CB  1 
ATOM   295  C CG1 . VAL A 1 39 ? -3.139  19.916  20.548 1.00 29.93  ? 151 VAL A CG1 1 
ATOM   296  C CG2 . VAL A 1 39 ? -0.951  18.967  19.773 1.00 30.16  ? 151 VAL A CG2 1 
ATOM   297  N N   . LEU A 1 40 ? -2.642  18.073  16.443 1.00 27.97  ? 152 LEU A N   1 
ATOM   298  C CA  . LEU A 1 40 ? -1.925  17.695  15.231 1.00 33.85  ? 152 LEU A CA  1 
ATOM   299  C C   . LEU A 1 40 ? -0.450  18.025  15.424 1.00 28.13  ? 152 LEU A C   1 
ATOM   300  O O   . LEU A 1 40 ? -0.135  19.131  15.849 1.00 27.99  ? 152 LEU A O   1 
ATOM   301  C CB  . LEU A 1 40 ? -2.447  18.474  14.023 1.00 39.99  ? 152 LEU A CB  1 
ATOM   302  C CG  . LEU A 1 40 ? -3.805  18.033  13.457 1.00 51.75  ? 152 LEU A CG  1 
ATOM   303  C CD1 . LEU A 1 40 ? -4.438  19.143  12.624 1.00 50.53  ? 152 LEU A CD1 1 
ATOM   304  C CD2 . LEU A 1 40 ? -3.655  16.767  12.622 1.00 56.28  ? 152 LEU A CD2 1 
ATOM   305  N N   . ALA A 1 41 ? 0.430   17.085  15.058 1.00 27.83  ? 153 ALA A N   1 
ATOM   306  C CA  . ALA A 1 41 ? 1.859   17.346  15.136 1.00 31.37  ? 153 ALA A CA  1 
ATOM   307  C C   . ALA A 1 41 ? 2.194   18.576  14.281 1.00 31.54  ? 153 ALA A C   1 
ATOM   308  O O   . ALA A 1 41 ? 2.918   19.475  14.737 1.00 31.63  ? 153 ALA A O   1 
ATOM   309  C CB  . ALA A 1 41 ? 2.625   16.115  14.705 1.00 30.81  ? 153 ALA A CB  1 
ATOM   310  N N   . LYS A 1 42 ? 1.573   18.658  13.089 1.00 35.82  ? 154 LYS A N   1 
ATOM   311  C CA  . LYS A 1 42 ? 1.819   19.750  12.157 1.00 37.71  ? 154 LYS A CA  1 
ATOM   312  C C   . LYS A 1 42 ? 1.632   21.107  12.830 1.00 37.35  ? 154 LYS A C   1 
ATOM   313  O O   . LYS A 1 42 ? 2.440   22.020  12.652 1.00 30.39  ? 154 LYS A O   1 
ATOM   314  C CB  . LYS A 1 42 ? 0.913   19.726  10.920 1.00 43.06  ? 154 LYS A CB  1 
ATOM   315  C CG  . LYS A 1 42 ? 1.268   18.715  9.838  1.00 53.74  ? 154 LYS A CG  1 
ATOM   316  C CD  . LYS A 1 42 ? 1.298   19.272  8.419  1.00 67.01  ? 154 LYS A CD  1 
ATOM   317  C CE  . LYS A 1 42 ? 2.563   20.096  8.255  1.00 81.22  ? 154 LYS A CE  1 
ATOM   318  N NZ  . LYS A 1 42 ? 2.729   20.768  6.963  1.00 74.14  ? 154 LYS A NZ  1 
ATOM   319  N N   . GLU A 1 43 ? 0.585   21.230  13.657 1.00 35.19  ? 155 GLU A N   1 
ATOM   320  C CA  . GLU A 1 43 ? 0.285   22.521  14.247 1.00 30.11  ? 155 GLU A CA  1 
ATOM   321  C C   . GLU A 1 43 ? 1.244   22.761  15.395 1.00 28.11  ? 155 GLU A C   1 
ATOM   322  O O   . GLU A 1 43 ? 1.708   23.890  15.582 1.00 26.84  ? 155 GLU A O   1 
ATOM   323  C CB  . GLU A 1 43 ? -1.197  22.553  14.643 1.00 32.62  ? 155 GLU A CB  1 
ATOM   324  C CG  . GLU A 1 43 ? -1.645  23.783  15.438 1.00 32.81  ? 155 GLU A CG  1 
ATOM   325  C CD  . GLU A 1 43 ? -3.163  23.853  15.690 1.00 36.19  ? 155 GLU A CD  1 
ATOM   326  O OE1 . GLU A 1 43 ? -3.631  24.821  16.323 1.00 41.17  ? 155 GLU A OE1 1 
ATOM   327  O OE2 . GLU A 1 43 ? -3.914  22.980  15.212 1.00 33.11  ? 155 GLU A OE2 1 
ATOM   328  N N   . ALA A 1 44 ? 1.520   21.730  16.196 1.00 25.81  ? 156 ALA A N   1 
ATOM   329  C CA  . ALA A 1 44 ? 2.502   21.898  17.281 1.00 27.40  ? 156 ALA A CA  1 
ATOM   330  C C   . ALA A 1 44 ? 3.897   22.210  16.719 1.00 25.53  ? 156 ALA A C   1 
ATOM   331  O O   . ALA A 1 44 ? 4.629   23.014  17.293 1.00 26.55  ? 156 ALA A O   1 
ATOM   332  C CB  . ALA A 1 44 ? 2.558   20.682  18.158 1.00 23.12  ? 156 ALA A CB  1 
ATOM   333  N N   . ASN A 1 45 ? 4.275   21.574  15.601 1.00 24.93  ? 157 ASN A N   1 
ATOM   334  C CA  . ASN A 1 45 ? 5.586   21.833  15.025 1.00 24.90  ? 157 ASN A CA  1 
ATOM   335  C C   . ASN A 1 45 ? 5.763   23.337  14.817 1.00 26.86  ? 157 ASN A C   1 
ATOM   336  O O   . ASN A 1 45 ? 6.833   23.898  15.090 1.00 26.33  ? 157 ASN A O   1 
ATOM   337  C CB  . ASN A 1 45 ? 5.804   21.130  13.687 1.00 26.09  ? 157 ASN A CB  1 
ATOM   338  C CG  . ASN A 1 45 ? 5.794   19.625  13.799 1.00 24.26  ? 157 ASN A CG  1 
ATOM   339  O OD1 . ASN A 1 45 ? 6.012   19.064  14.877 1.00 20.50  ? 157 ASN A OD1 1 
ATOM   340  N ND2 . ASN A 1 45 ? 5.633   18.969  12.656 1.00 25.04  ? 157 ASN A ND2 1 
ATOM   341  N N   . VAL A 1 46 ? 4.700   23.995  14.331 1.00 27.66  ? 158 VAL A N   1 
ATOM   342  C CA  . VAL A 1 46 ? 4.820   25.390  13.934 1.00 29.63  ? 158 VAL A CA  1 
ATOM   343  C C   . VAL A 1 46 ? 4.625   26.308  15.158 1.00 28.18  ? 158 VAL A C   1 
ATOM   344  O O   . VAL A 1 46 ? 5.295   27.330  15.259 1.00 25.94  ? 158 VAL A O   1 
ATOM   345  C CB  . VAL A 1 46 ? 4.021   25.828  12.680 1.00 37.79  ? 158 VAL A CB  1 
ATOM   346  C CG1 . VAL A 1 46 ? 4.706   25.604  11.283 1.00 35.96  ? 158 VAL A CG1 1 
ATOM   347  C CG2 . VAL A 1 46 ? 2.625   25.303  12.677 1.00 41.16  ? 158 VAL A CG2 1 
ATOM   348  N N   . LYS A 1 47 ? 3.779   25.954  16.122 1.00 27.01  ? 159 LYS A N   1 
ATOM   349  C CA  . LYS A 1 47 ? 3.450   26.886  17.196 1.00 27.28  ? 159 LYS A CA  1 
ATOM   350  C C   . LYS A 1 47 ? 4.363   26.759  18.413 1.00 29.16  ? 159 LYS A C   1 
ATOM   351  O O   . LYS A 1 47 ? 4.566   27.745  19.138 1.00 30.56  ? 159 LYS A O   1 
ATOM   352  C CB  . LYS A 1 47 ? 2.009   26.722  17.685 1.00 28.33  ? 159 LYS A CB  1 
ATOM   353  C CG  . LYS A 1 47 ? 0.965   26.995  16.610 1.00 25.34  ? 159 LYS A CG  1 
ATOM   354  C CD  . LYS A 1 47 ? -0.454  26.898  17.164 1.00 28.99  ? 159 LYS A CD  1 
ATOM   355  C CE  . LYS A 1 47 ? -1.392  27.654  16.261 1.00 28.71  ? 159 LYS A CE  1 
ATOM   356  N NZ  . LYS A 1 47 ? -2.788  27.298  16.476 1.00 31.25  ? 159 LYS A NZ  1 
ATOM   357  N N   . CYS A 1 48 ? 4.895   25.553  18.671 1.00 28.54  ? 160 CYS A N   1 
ATOM   358  C CA  . CYS A 1 48 ? 5.750   25.352  19.843 1.00 27.66  ? 160 CYS A CA  1 
ATOM   359  C C   . CYS A 1 48 ? 6.864   24.378  19.471 1.00 25.71  ? 160 CYS A C   1 
ATOM   360  O O   . CYS A 1 48 ? 7.007   23.331  20.088 1.00 21.84  ? 160 CYS A O   1 
ATOM   361  C CB  . CYS A 1 48 ? 4.942   24.912  21.062 1.00 28.83  ? 160 CYS A CB  1 
ATOM   362  S SG  . CYS A 1 48 ? 3.922   23.429  20.781 1.00 29.31  ? 160 CYS A SG  1 
ATOM   363  N N   . PRO A 1 49 ? 7.666   24.688  18.435 1.00 26.88  ? 161 PRO A N   1 
ATOM   364  C CA  . PRO A 1 49 ? 8.711   23.767  17.962 1.00 28.16  ? 161 PRO A CA  1 
ATOM   365  C C   . PRO A 1 49 ? 9.724   23.317  19.021 1.00 26.37  ? 161 PRO A C   1 
ATOM   366  O O   . PRO A 1 49 ? 10.168  22.172  18.982 1.00 26.09  ? 161 PRO A O   1 
ATOM   367  C CB  . PRO A 1 49 ? 9.376   24.586  16.829 1.00 28.76  ? 161 PRO A CB  1 
ATOM   368  C CG  . PRO A 1 49 ? 9.076   26.047  17.179 1.00 28.46  ? 161 PRO A CG  1 
ATOM   369  C CD  . PRO A 1 49 ? 7.667   25.970  17.700 1.00 26.17  ? 161 PRO A CD  1 
ATOM   370  N N   . GLN A 1 50 ? 10.093  24.186  19.972 1.00 25.17  ? 162 GLN A N   1 
ATOM   371  C CA  . GLN A 1 50 ? 11.033  23.776  21.032 1.00 27.11  ? 162 GLN A CA  1 
ATOM   372  C C   . GLN A 1 50 ? 10.417  22.731  21.967 1.00 25.29  ? 162 GLN A C   1 
ATOM   373  O O   . GLN A 1 50 ? 11.109  21.910  22.532 1.00 29.92  ? 162 GLN A O   1 
ATOM   374  C CB  . GLN A 1 50 ? 11.593  24.969  21.819 1.00 27.92  ? 162 GLN A CB  1 
ATOM   375  C CG  . GLN A 1 50 ? 12.351  25.996  20.965 1.00 30.90  ? 162 GLN A CG  1 
ATOM   376  C CD  . GLN A 1 50 ? 13.360  25.405  19.989 1.00 27.52  ? 162 GLN A CD  1 
ATOM   377  O OE1 . GLN A 1 50 ? 13.483  25.836  18.843 1.00 29.12  ? 162 GLN A OE1 1 
ATOM   378  N NE2 . GLN A 1 50 ? 14.137  24.436  20.427 1.00 27.37  ? 162 GLN A NE2 1 
ATOM   379  N N   . ILE A 1 51 ? 9.098   22.743  22.144 1.00 27.56  ? 163 ILE A N   1 
ATOM   380  C CA  . ILE A 1 51 ? 8.427   21.742  22.971 1.00 28.51  ? 163 ILE A CA  1 
ATOM   381  C C   . ILE A 1 51 ? 8.372   20.395  22.252 1.00 25.45  ? 163 ILE A C   1 
ATOM   382  O O   . ILE A 1 51 ? 8.539   19.339  22.848 1.00 25.68  ? 163 ILE A O   1 
ATOM   383  C CB  . ILE A 1 51 ? 7.065   22.311  23.426 1.00 28.21  ? 163 ILE A CB  1 
ATOM   384  C CG1 . ILE A 1 51 ? 7.322   23.366  24.512 1.00 33.71  ? 163 ILE A CG1 1 
ATOM   385  C CG2 . ILE A 1 51 ? 6.123   21.234  23.928 1.00 27.51  ? 163 ILE A CG2 1 
ATOM   386  C CD1 . ILE A 1 51 ? 6.094   24.165  24.893 1.00 39.20  ? 163 ILE A CD1 1 
ATOM   387  N N   . VAL A 1 52 ? 8.155   20.427  20.934 1.00 27.51  ? 164 VAL A N   1 
ATOM   388  C CA  . VAL A 1 52 ? 8.227   19.217  20.111 1.00 24.21  ? 164 VAL A CA  1 
ATOM   389  C C   . VAL A 1 52 ? 9.625   18.606  20.194 1.00 23.62  ? 164 VAL A C   1 
ATOM   390  O O   . VAL A 1 52 ? 9.755   17.405  20.394 1.00 23.32  ? 164 VAL A O   1 
ATOM   391  C CB  . VAL A 1 52 ? 7.848   19.574  18.666 1.00 26.94  ? 164 VAL A CB  1 
ATOM   392  C CG1 . VAL A 1 52 ? 8.023   18.375  17.732 1.00 25.63  ? 164 VAL A CG1 1 
ATOM   393  C CG2 . VAL A 1 52 ? 6.400   20.100  18.589 1.00 24.93  ? 164 VAL A CG2 1 
ATOM   394  N N   . ILE A 1 53 ? 10.669  19.445  20.073 1.00 25.04  ? 165 ILE A N   1 
ATOM   395  C CA  . ILE A 1 53 ? 12.037  18.973  20.031 1.00 21.75  ? 165 ILE A CA  1 
ATOM   396  C C   . ILE A 1 53 ? 12.418  18.391  21.385 1.00 26.44  ? 165 ILE A C   1 
ATOM   397  O O   . ILE A 1 53 ? 13.032  17.320  21.442 1.00 28.02  ? 165 ILE A O   1 
ATOM   398  C CB  . ILE A 1 53 ? 12.995  20.087  19.582 1.00 22.48  ? 165 ILE A CB  1 
ATOM   399  C CG1 . ILE A 1 53 ? 12.785  20.397  18.105 1.00 22.32  ? 165 ILE A CG1 1 
ATOM   400  C CG2 . ILE A 1 53 ? 14.468  19.711  19.884 1.00 22.60  ? 165 ILE A CG2 1 
ATOM   401  C CD1 . ILE A 1 53 ? 13.521  21.666  17.664 1.00 25.75  ? 165 ILE A CD1 1 
ATOM   402  N N   . ALA A 1 54 ? 12.032  19.063  22.473 1.00 29.12  ? 166 ALA A N   1 
ATOM   403  C CA  . ALA A 1 54 ? 12.233  18.517  23.811 1.00 29.51  ? 166 ALA A CA  1 
ATOM   404  C C   . ALA A 1 54 ? 11.621  17.116  23.910 1.00 29.14  ? 166 ALA A C   1 
ATOM   405  O O   . ALA A 1 54 ? 12.257  16.208  24.428 1.00 26.14  ? 166 ALA A O   1 
ATOM   406  C CB  . ALA A 1 54 ? 11.688  19.461  24.850 1.00 28.65  ? 166 ALA A CB  1 
ATOM   407  N N   . PHE A 1 55 ? 10.405  16.919  23.357 1.00 27.16  ? 167 PHE A N   1 
ATOM   408  C CA  . PHE A 1 55 ? 9.823   15.585  23.403 1.00 26.68  ? 167 PHE A CA  1 
ATOM   409  C C   . PHE A 1 55 ? 10.701  14.572  22.655 1.00 28.63  ? 167 PHE A C   1 
ATOM   410  O O   . PHE A 1 55 ? 10.915  13.485  23.145 1.00 24.93  ? 167 PHE A O   1 
ATOM   411  C CB  . PHE A 1 55 ? 8.410   15.626  22.853 1.00 29.58  ? 167 PHE A CB  1 
ATOM   412  C CG  . PHE A 1 55 ? 7.830   14.265  22.549 1.00 28.97  ? 167 PHE A CG  1 
ATOM   413  C CD1 . PHE A 1 55 ? 7.409   13.423  23.576 1.00 32.47  ? 167 PHE A CD1 1 
ATOM   414  C CD2 . PHE A 1 55 ? 7.729   13.821  21.232 1.00 28.10  ? 167 PHE A CD2 1 
ATOM   415  C CE1 . PHE A 1 55 ? 6.884   12.165  23.291 1.00 30.98  ? 167 PHE A CE1 1 
ATOM   416  C CE2 . PHE A 1 55 ? 7.205   12.563  20.962 1.00 31.20  ? 167 PHE A CE2 1 
ATOM   417  C CZ  . PHE A 1 55 ? 6.785   11.747  21.996 1.00 33.73  ? 167 PHE A CZ  1 
ATOM   418  N N   . TYR A 1 56 ? 11.159  14.908  21.451 1.00 26.28  ? 168 TYR A N   1 
ATOM   419  C CA  . TYR A 1 56 ? 11.917  13.956  20.652 1.00 29.10  ? 168 TYR A CA  1 
ATOM   420  C C   . TYR A 1 56 ? 13.298  13.700  21.263 1.00 29.75  ? 168 TYR A C   1 
ATOM   421  O O   . TYR A 1 56 ? 13.831  12.607  21.138 1.00 28.21  ? 168 TYR A O   1 
ATOM   422  C CB  . TYR A 1 56 ? 12.133  14.486  19.237 1.00 27.04  ? 168 TYR A CB  1 
ATOM   423  C CG  . TYR A 1 56 ? 10.925  14.352  18.328 1.00 28.52  ? 168 TYR A CG  1 
ATOM   424  C CD1 . TYR A 1 56 ? 10.270  13.126  18.189 1.00 27.73  ? 168 TYR A CD1 1 
ATOM   425  C CD2 . TYR A 1 56 ? 10.432  15.445  17.632 1.00 24.87  ? 168 TYR A CD2 1 
ATOM   426  C CE1 . TYR A 1 56 ? 9.177   13.000  17.356 1.00 28.96  ? 168 TYR A CE1 1 
ATOM   427  C CE2 . TYR A 1 56 ? 9.337   15.321  16.802 1.00 26.40  ? 168 TYR A CE2 1 
ATOM   428  C CZ  . TYR A 1 56 ? 8.707   14.097  16.663 1.00 28.31  ? 168 TYR A CZ  1 
ATOM   429  O OH  . TYR A 1 56 ? 7.653   13.953  15.815 1.00 32.37  ? 168 TYR A OH  1 
ATOM   430  N N   . GLU A 1 57 ? 13.900  14.730  21.867 1.00 32.14  ? 169 GLU A N   1 
ATOM   431  C CA  . GLU A 1 57 ? 15.219  14.583  22.447 1.00 35.46  ? 169 GLU A CA  1 
ATOM   432  C C   . GLU A 1 57 ? 15.140  13.713  23.687 1.00 43.14  ? 169 GLU A C   1 
ATOM   433  O O   . GLU A 1 57 ? 16.049  12.927  23.924 1.00 43.97  ? 169 GLU A O   1 
ATOM   434  C CB  . GLU A 1 57 ? 15.883  15.886  22.842 1.00 36.15  ? 169 GLU A CB  1 
ATOM   435  C CG  . GLU A 1 57 ? 16.363  16.739  21.672 1.00 38.11  ? 169 GLU A CG  1 
ATOM   436  C CD  . GLU A 1 57 ? 17.175  17.938  22.189 1.00 40.59  ? 169 GLU A CD  1 
ATOM   437  O OE1 . GLU A 1 57 ? 17.236  18.135  23.421 1.00 46.96  ? 169 GLU A OE1 1 
ATOM   438  O OE2 . GLU A 1 57 ? 17.785  18.690  21.414 1.00 34.39  ? 169 GLU A OE2 1 
ATOM   439  N N   . GLU A 1 58 ? 14.076  13.851  24.482 1.00 45.84  ? 170 GLU A N   1 
ATOM   440  C CA  . GLU A 1 58 ? 13.881  12.980  25.637 1.00 49.61  ? 170 GLU A CA  1 
ATOM   441  C C   . GLU A 1 58 ? 13.676  11.551  25.151 1.00 50.79  ? 170 GLU A C   1 
ATOM   442  O O   . GLU A 1 58 ? 14.221  10.630  25.728 1.00 64.01  ? 170 GLU A O   1 
ATOM   443  C CB  . GLU A 1 58 ? 12.743  13.391  26.566 1.00 46.77  ? 170 GLU A CB  1 
ATOM   444  N N   . ARG A 1 59 ? 12.926  11.361  24.064 1.00 49.88  ? 171 ARG A N   1 
ATOM   445  C CA  . ARG A 1 59 ? 12.642  10.035  23.539 1.00 51.36  ? 171 ARG A CA  1 
ATOM   446  C C   . ARG A 1 59 ? 13.907  9.357   22.988 1.00 55.26  ? 171 ARG A C   1 
ATOM   447  O O   . ARG A 1 59 ? 13.990  8.137   22.971 1.00 57.96  ? 171 ARG A O   1 
ATOM   448  C CB  . ARG A 1 59 ? 11.514  10.139  22.508 1.00 44.88  ? 171 ARG A CB  1 
ATOM   449  C CG  . ARG A 1 59 ? 11.259  8.877   21.704 1.00 51.87  ? 171 ARG A CG  1 
ATOM   450  C CD  . ARG A 1 59 ? 10.172  9.010   20.692 1.00 55.56  ? 171 ARG A CD  1 
ATOM   451  N NE  . ARG A 1 59 ? 8.903   8.999   21.415 1.00 64.85  ? 171 ARG A NE  1 
ATOM   452  C CZ  . ARG A 1 59 ? 7.854   8.235   21.134 1.00 72.98  ? 171 ARG A CZ  1 
ATOM   453  N NH1 . ARG A 1 59 ? 6.765   8.314   21.895 1.00 71.96  ? 171 ARG A NH1 1 
ATOM   454  N NH2 . ARG A 1 59 ? 7.870   7.415   20.092 1.00 66.64  ? 171 ARG A NH2 1 
ATOM   455  N N   . LEU A 1 60 ? 14.908  10.124  22.546 1.00 67.12  ? 172 LEU A N   1 
ATOM   456  C CA  . LEU A 1 60 ? 16.234  9.566   22.273 1.00 74.42  ? 172 LEU A CA  1 
ATOM   457  C C   . LEU A 1 60 ? 16.963  9.281   23.590 1.00 77.99  ? 172 LEU A C   1 
ATOM   458  O O   . LEU A 1 60 ? 17.135  10.185  24.400 1.00 77.06  ? 172 LEU A O   1 
ATOM   459  C CB  . LEU A 1 60 ? 17.061  10.545  21.441 1.00 78.51  ? 172 LEU A CB  1 
ATOM   460  C CG  . LEU A 1 60 ? 17.056  10.351  19.923 1.00 80.31  ? 172 LEU A CG  1 
ATOM   461  C CD1 . LEU A 1 60 ? 15.652  10.465  19.333 1.00 91.23  ? 172 LEU A CD1 1 
ATOM   462  C CD2 . LEU A 1 60 ? 18.011  11.357  19.302 1.00 76.02  ? 172 LEU A CD2 1 
ATOM   463  N N   . THR A 1 61 ? 17.418  8.042   23.806 1.00 88.11  ? 173 THR A N   1 
ATOM   464  C CA  . THR A 1 61 ? 18.387  7.749   24.866 1.00 97.26  ? 173 THR A CA  1 
ATOM   465  C C   . THR A 1 61 ? 18.885  6.317   24.710 1.00 99.67  ? 173 THR A C   1 
ATOM   466  O O   . THR A 1 61 ? 20.127  6.140   24.549 1.00 78.96  ? 173 THR A O   1 
ATOM   467  C CB  . THR A 1 61 ? 17.822  7.999   26.273 1.00 92.67  ? 173 THR A CB  1 
ATOM   468  O OG1 . THR A 1 61 ? 16.460  7.586   26.285 1.00 89.62  ? 173 THR A OG1 1 
ATOM   469  C CG2 . THR A 1 61 ? 17.906  9.441   26.750 1.00 87.40  ? 173 THR A CG2 1 
ATOM   470  N N   . ALA B 1 2  ? 33.320  21.594  7.124  1.00 69.88  ? 114 ALA B N   1 
ATOM   471  C CA  . ALA B 1 2  ? 34.501  22.200  7.796  1.00 69.60  ? 114 ALA B CA  1 
ATOM   472  C C   . ALA B 1 2  ? 34.080  23.138  8.934  1.00 77.21  ? 114 ALA B C   1 
ATOM   473  O O   . ALA B 1 2  ? 34.607  23.083  10.040 1.00 89.44  ? 114 ALA B O   1 
ATOM   474  C CB  . ALA B 1 2  ? 35.342  22.927  6.767  1.00 65.54  ? 114 ALA B CB  1 
ATOM   475  N N   . ARG B 1 3  ? 33.111  24.009  8.655  1.00 75.67  ? 115 ARG B N   1 
ATOM   476  C CA  . ARG B 1 3  ? 32.672  25.049  9.562  1.00 66.33  ? 115 ARG B CA  1 
ATOM   477  C C   . ARG B 1 3  ? 31.217  24.861  10.008 1.00 62.64  ? 115 ARG B C   1 
ATOM   478  O O   . ARG B 1 3  ? 30.809  25.441  11.016 1.00 57.03  ? 115 ARG B O   1 
ATOM   479  C CB  . ARG B 1 3  ? 32.884  26.318  8.734  1.00 71.89  ? 115 ARG B CB  1 
ATOM   480  C CG  . ARG B 1 3  ? 34.310  26.828  8.759  1.00 74.12  ? 115 ARG B CG  1 
ATOM   481  C CD  . ARG B 1 3  ? 34.565  27.835  7.663  1.00 61.40  ? 115 ARG B CD  1 
ATOM   482  N NE  . ARG B 1 3  ? 35.915  27.687  7.121  1.00 61.23  ? 115 ARG B NE  1 
ATOM   483  C CZ  . ARG B 1 3  ? 36.926  26.968  7.598  1.00 65.35  ? 115 ARG B CZ  1 
ATOM   484  N NH1 . ARG B 1 3  ? 37.899  26.604  6.776  1.00 72.15  ? 115 ARG B NH1 1 
ATOM   485  N NH2 . ARG B 1 3  ? 36.959  26.544  8.851  1.00 62.49  ? 115 ARG B NH2 1 
ATOM   486  N N   . GLY B 1 4  ? 30.431  24.059  9.268  1.00 53.13  ? 116 GLY B N   1 
ATOM   487  C CA  . GLY B 1 4  ? 29.045  23.846  9.636  1.00 42.72  ? 116 GLY B CA  1 
ATOM   488  C C   . GLY B 1 4  ? 28.226  25.087  9.327  1.00 35.17  ? 116 GLY B C   1 
ATOM   489  O O   . GLY B 1 4  ? 28.149  25.466  8.160  1.00 36.11  ? 116 GLY B O   1 
ATOM   490  N N   . PHE B 1 5  ? 27.588  25.699  10.342 1.00 33.18  ? 117 PHE B N   1 
ATOM   491  C CA  . PHE B 1 5  ? 26.715  26.835  10.055 1.00 38.40  ? 117 PHE B CA  1 
ATOM   492  C C   . PHE B 1 5  ? 27.534  28.026  9.527  1.00 36.05  ? 117 PHE B C   1 
ATOM   493  O O   . PHE B 1 5  ? 27.048  28.795  8.705  1.00 39.70  ? 117 PHE B O   1 
ATOM   494  C CB  . PHE B 1 5  ? 25.868  27.232  11.263 1.00 37.18  ? 117 PHE B CB  1 
ATOM   495  C CG  . PHE B 1 5  ? 24.618  26.379  11.440 1.00 33.25  ? 117 PHE B CG  1 
ATOM   496  C CD1 . PHE B 1 5  ? 23.486  26.664  10.695 1.00 33.02  ? 117 PHE B CD1 1 
ATOM   497  C CD2 . PHE B 1 5  ? 24.588  25.309  12.327 1.00 31.17  ? 117 PHE B CD2 1 
ATOM   498  C CE1 . PHE B 1 5  ? 22.338  25.928  10.858 1.00 30.72  ? 117 PHE B CE1 1 
ATOM   499  C CE2 . PHE B 1 5  ? 23.446  24.551  12.469 1.00 35.90  ? 117 PHE B CE2 1 
ATOM   500  C CZ  . PHE B 1 5  ? 22.330  24.856  11.728 1.00 35.74  ? 117 PHE B CZ  1 
ATOM   501  N N   . GLU B 1 6  ? 28.796  28.113  9.957  1.00 36.53  ? 118 GLU B N   1 
ATOM   502  C CA  . GLU B 1 6  ? 29.716  29.158  9.524  1.00 42.46  ? 118 GLU B CA  1 
ATOM   503  C C   . GLU B 1 6  ? 29.876  29.191  8.004  1.00 47.77  ? 118 GLU B C   1 
ATOM   504  O O   . GLU B 1 6  ? 30.381  30.165  7.474  1.00 59.74  ? 118 GLU B O   1 
ATOM   505  C CB  . GLU B 1 6  ? 31.095  29.028  10.175 1.00 42.10  ? 118 GLU B CB  1 
ATOM   506  N N   . ARG B 1 7  ? 29.430  28.154  7.288  1.00 40.58  ? 119 ARG B N   1 
ATOM   507  C CA  . ARG B 1 7  ? 29.626  28.063  5.852  1.00 40.51  ? 119 ARG B CA  1 
ATOM   508  C C   . ARG B 1 7  ? 28.567  28.874  5.133  1.00 44.20  ? 119 ARG B C   1 
ATOM   509  O O   . ARG B 1 7  ? 28.696  29.120  3.941  1.00 45.98  ? 119 ARG B O   1 
ATOM   510  C CB  . ARG B 1 7  ? 29.620  26.615  5.357  1.00 40.42  ? 119 ARG B CB  1 
ATOM   511  C CG  . ARG B 1 7  ? 30.797  25.820  5.904  1.00 45.07  ? 119 ARG B CG  1 
ATOM   512  C CD  . ARG B 1 7  ? 30.654  24.297  5.751  1.00 48.82  ? 119 ARG B CD  1 
ATOM   513  N NE  . ARG B 1 7  ? 30.418  23.905  4.360  1.00 47.44  ? 119 ARG B NE  1 
ATOM   514  C CZ  . ARG B 1 7  ? 30.219  22.666  3.927  1.00 47.95  ? 119 ARG B CZ  1 
ATOM   515  N NH1 . ARG B 1 7  ? 29.974  22.486  2.644  1.00 50.54  ? 119 ARG B NH1 1 
ATOM   516  N NH2 . ARG B 1 7  ? 30.260  21.627  4.748  1.00 48.41  ? 119 ARG B NH2 1 
ATOM   517  N N   . GLY B 1 8  ? 27.497  29.243  5.841  1.00 47.33  ? 120 GLY B N   1 
ATOM   518  C CA  . GLY B 1 8  ? 26.512  30.164  5.297  1.00 47.05  ? 120 GLY B CA  1 
ATOM   519  C C   . GLY B 1 8  ? 25.627  29.523  4.228  1.00 56.89  ? 120 GLY B C   1 
ATOM   520  O O   . GLY B 1 8  ? 25.033  30.210  3.389  1.00 50.00  ? 120 GLY B O   1 
ATOM   521  N N   . LEU B 1 9  ? 25.511  28.188  4.295  1.00 50.73  ? 121 LEU B N   1 
ATOM   522  C CA  . LEU B 1 9  ? 24.620  27.436  3.426  1.00 49.21  ? 121 LEU B CA  1 
ATOM   523  C C   . LEU B 1 9  ? 23.311  27.240  4.184  1.00 39.78  ? 121 LEU B C   1 
ATOM   524  O O   . LEU B 1 9  ? 23.271  27.274  5.412  1.00 57.79  ? 121 LEU B O   1 
ATOM   525  C CB  . LEU B 1 9  ? 25.240  26.087  3.033  1.00 55.62  ? 121 LEU B CB  1 
ATOM   526  C CG  . LEU B 1 9  ? 26.703  26.138  2.562  1.00 58.28  ? 121 LEU B CG  1 
ATOM   527  C CD1 . LEU B 1 9  ? 27.260  24.767  2.298  1.00 57.75  ? 121 LEU B CD1 1 
ATOM   528  C CD2 . LEU B 1 9  ? 26.875  27.008  1.332  1.00 59.62  ? 121 LEU B CD2 1 
ATOM   529  N N   . GLU B 1 10 ? 22.250  27.012  3.426  1.00 38.12  ? 122 GLU B N   1 
ATOM   530  C CA  . GLU B 1 10 ? 20.970  26.626  3.957  1.00 45.14  ? 122 GLU B CA  1 
ATOM   531  C C   . GLU B 1 10 ? 21.023  25.153  4.346  1.00 40.54  ? 122 GLU B C   1 
ATOM   532  O O   . GLU B 1 10 ? 21.548  24.331  3.600  1.00 34.75  ? 122 GLU B O   1 
ATOM   533  C CB  . GLU B 1 10 ? 19.856  26.884  2.949  1.00 49.39  ? 122 GLU B CB  1 
ATOM   534  C CG  . GLU B 1 10 ? 19.059  28.152  3.246  1.00 55.01  ? 122 GLU B CG  1 
ATOM   535  C CD  . GLU B 1 10 ? 18.845  28.950  1.995  1.00 62.21  ? 122 GLU B CD  1 
ATOM   536  O OE1 . GLU B 1 10 ? 19.065  30.186  2.038  1.00 78.70  ? 122 GLU B OE1 1 
ATOM   537  O OE2 . GLU B 1 10 ? 18.504  28.319  0.968  1.00 58.36  ? 122 GLU B OE2 1 
ATOM   538  N N   . PRO B 1 11 ? 20.480  24.794  5.525  1.00 42.77  ? 123 PRO B N   1 
ATOM   539  C CA  . PRO B 1 11 ? 20.369  23.388  5.918  1.00 40.91  ? 123 PRO B CA  1 
ATOM   540  C C   . PRO B 1 11 ? 19.427  22.707  4.925  1.00 36.95  ? 123 PRO B C   1 
ATOM   541  O O   . PRO B 1 11 ? 18.339  23.205  4.646  1.00 35.70  ? 123 PRO B O   1 
ATOM   542  C CB  . PRO B 1 11 ? 19.796  23.452  7.362  1.00 45.01  ? 123 PRO B CB  1 
ATOM   543  C CG  . PRO B 1 11 ? 19.044  24.792  7.409  1.00 43.08  ? 123 PRO B CG  1 
ATOM   544  C CD  . PRO B 1 11 ? 19.923  25.711  6.543  1.00 46.18  ? 123 PRO B CD  1 
ATOM   545  N N   . GLU B 1 12 ? 19.783  21.507  4.459  1.00 32.35  ? 124 GLU B N   1 
ATOM   546  C CA  . GLU B 1 12 ? 18.853  20.740  3.638  1.00 35.81  ? 124 GLU B CA  1 
ATOM   547  C C   . GLU B 1 12 ? 18.176  19.626  4.437  1.00 27.05  ? 124 GLU B C   1 
ATOM   548  O O   . GLU B 1 12 ? 16.955  19.473  4.402  1.00 24.29  ? 124 GLU B O   1 
ATOM   549  C CB  . GLU B 1 12 ? 19.607  20.195  2.434  1.00 37.22  ? 124 GLU B CB  1 
ATOM   550  C CG  . GLU B 1 12 ? 18.753  19.344  1.499  1.00 41.19  ? 124 GLU B CG  1 
ATOM   551  C CD  . GLU B 1 12 ? 19.643  18.620  0.493  1.00 47.80  ? 124 GLU B CD  1 
ATOM   552  O OE1 . GLU B 1 12 ? 20.414  19.304  -0.197 1.00 48.08  ? 124 GLU B OE1 1 
ATOM   553  O OE2 . GLU B 1 12 ? 19.596  17.374  0.420  1.00 64.28  ? 124 GLU B OE2 1 
ATOM   554  N N   . LYS B 1 13 ? 18.981  18.788  5.093  1.00 24.46  ? 125 LYS B N   1 
ATOM   555  C CA  . LYS B 1 13 ? 18.427  17.691  5.848  1.00 26.20  ? 125 LYS B CA  1 
ATOM   556  C C   . LYS B 1 13 ? 19.493  17.203  6.827  1.00 27.24  ? 125 LYS B C   1 
ATOM   557  O O   . LYS B 1 13 ? 20.678  17.275  6.551  1.00 21.98  ? 125 LYS B O   1 
ATOM   558  C CB  . LYS B 1 13 ? 17.870  16.546  4.984  1.00 31.55  ? 125 LYS B CB  1 
ATOM   559  C CG  . LYS B 1 13 ? 18.844  15.741  4.144  1.00 36.21  ? 125 LYS B CG  1 
ATOM   560  C CD  . LYS B 1 13 ? 18.196  14.674  3.249  1.00 41.93  ? 125 LYS B CD  1 
ATOM   561  C CE  . LYS B 1 13 ? 17.609  13.543  3.980  1.00 43.26  ? 125 LYS B CE  1 
ATOM   562  N NZ  . LYS B 1 13 ? 18.649  12.619  4.458  1.00 48.64  ? 125 LYS B NZ  1 
ATOM   563  N N   . ILE B 1 14 ? 19.035  16.662  7.959  1.00 26.12  ? 126 ILE B N   1 
ATOM   564  C CA  . ILE B 1 14 ? 19.916  15.984  8.892  1.00 28.68  ? 126 ILE B CA  1 
ATOM   565  C C   . ILE B 1 14 ? 19.966  14.519  8.495  1.00 30.12  ? 126 ILE B C   1 
ATOM   566  O O   . ILE B 1 14 ? 18.910  13.916  8.316  1.00 25.60  ? 126 ILE B O   1 
ATOM   567  C CB  . ILE B 1 14 ? 19.388  16.178  10.320 1.00 31.79  ? 126 ILE B CB  1 
ATOM   568  C CG1 . ILE B 1 14 ? 19.562  17.640  10.769 1.00 33.17  ? 126 ILE B CG1 1 
ATOM   569  C CG2 . ILE B 1 14 ? 20.013  15.187  11.276 1.00 29.81  ? 126 ILE B CG2 1 
ATOM   570  C CD1 . ILE B 1 14 ? 18.759  18.009  12.008 1.00 33.78  ? 126 ILE B CD1 1 
ATOM   571  N N   . ILE B 1 15 ? 21.202  14.002  8.340  1.00 34.13  ? 127 ILE B N   1 
ATOM   572  C CA  . ILE B 1 15 ? 21.483  12.628  7.899  1.00 35.33  ? 127 ILE B CA  1 
ATOM   573  C C   . ILE B 1 15 ? 21.335  11.702  9.108  1.00 29.01  ? 127 ILE B C   1 
ATOM   574  O O   . ILE B 1 15 ? 20.906  10.562  9.000  1.00 28.25  ? 127 ILE B O   1 
ATOM   575  C CB  . ILE B 1 15 ? 22.921  12.536  7.329  1.00 37.19  ? 127 ILE B CB  1 
ATOM   576  C CG1 . ILE B 1 15 ? 23.181  13.521  6.204  1.00 36.72  ? 127 ILE B CG1 1 
ATOM   577  C CG2 . ILE B 1 15 ? 23.324  11.118  6.915  1.00 43.38  ? 127 ILE B CG2 1 
ATOM   578  C CD1 . ILE B 1 15 ? 22.064  13.536  5.191  1.00 43.14  ? 127 ILE B CD1 1 
ATOM   579  N N   . GLY B 1 16 ? 21.778  12.185  10.264 1.00 26.20  ? 128 GLY B N   1 
ATOM   580  C CA  . GLY B 1 16 ? 21.754  11.379  11.481 1.00 29.05  ? 128 GLY B CA  1 
ATOM   581  C C   . GLY B 1 16 ? 22.201  12.182  12.709 1.00 26.05  ? 128 GLY B C   1 
ATOM   582  O O   . GLY B 1 16 ? 22.551  13.348  12.618 1.00 22.82  ? 128 GLY B O   1 
ATOM   583  N N   . ALA B 1 17 ? 22.129  11.532  13.854 1.00 28.68  ? 129 ALA B N   1 
ATOM   584  C CA  . ALA B 1 17 ? 22.384  12.149  15.134 1.00 34.89  ? 129 ALA B CA  1 
ATOM   585  C C   . ALA B 1 17 ? 23.202  11.206  16.020 1.00 35.85  ? 129 ALA B C   1 
ATOM   586  O O   . ALA B 1 17 ? 23.058  10.004  15.946 1.00 31.53  ? 129 ALA B O   1 
ATOM   587  C CB  . ALA B 1 17 ? 21.069  12.458  15.756 1.00 35.95  ? 129 ALA B CB  1 
ATOM   588  N N   . THR B 1 18 ? 24.101  11.786  16.806 1.00 42.51  ? 130 THR B N   1 
ATOM   589  C CA  . THR B 1 18 ? 24.926  11.005  17.710 1.00 45.69  ? 130 THR B CA  1 
ATOM   590  C C   . THR B 1 18 ? 25.201  11.841  18.956 1.00 34.70  ? 130 THR B C   1 
ATOM   591  O O   . THR B 1 18 ? 25.393  13.052  18.876 1.00 32.43  ? 130 THR B O   1 
ATOM   592  C CB  . THR B 1 18 ? 26.200  10.559  16.987 1.00 42.89  ? 130 THR B CB  1 
ATOM   593  O OG1 . THR B 1 18 ? 26.913  9.827   17.983 1.00 45.55  ? 130 THR B OG1 1 
ATOM   594  C CG2 . THR B 1 18 ? 27.063  11.719  16.527 1.00 39.59  ? 130 THR B CG2 1 
ATOM   595  N N   . ASP B 1 19 ? 25.203  11.155  20.097 1.00 46.56  ? 131 ASP B N   1 
ATOM   596  C CA  . ASP B 1 19 ? 25.609  11.725  21.373 1.00 52.60  ? 131 ASP B CA  1 
ATOM   597  C C   . ASP B 1 19 ? 27.007  11.239  21.747 1.00 62.76  ? 131 ASP B C   1 
ATOM   598  O O   . ASP B 1 19 ? 27.433  11.420  22.891 1.00 58.14  ? 131 ASP B O   1 
ATOM   599  C CB  . ASP B 1 19 ? 24.670  11.291  22.493 1.00 61.73  ? 131 ASP B CB  1 
ATOM   600  C CG  . ASP B 1 19 ? 24.538  12.291  23.631 1.00 79.27  ? 131 ASP B CG  1 
ATOM   601  O OD1 . ASP B 1 19 ? 23.793  13.268  23.444 1.00 92.89  ? 131 ASP B OD1 1 
ATOM   602  O OD2 . ASP B 1 19 ? 25.196  12.103  24.684 1.00 100.55 ? 131 ASP B OD2 1 
ATOM   603  N N   . SER B 1 20 ? 27.730  10.651  20.781 1.00 66.07  ? 132 SER B N   1 
ATOM   604  C CA  . SER B 1 20 ? 28.964  9.942   21.073 1.00 72.50  ? 132 SER B CA  1 
ATOM   605  C C   . SER B 1 20 ? 30.039  10.878  21.633 1.00 77.55  ? 132 SER B C   1 
ATOM   606  O O   . SER B 1 20 ? 31.126  10.402  21.964 1.00 63.16  ? 132 SER B O   1 
ATOM   607  C CB  . SER B 1 20 ? 29.446  9.157   19.857 1.00 80.00  ? 132 SER B CB  1 
ATOM   608  O OG  . SER B 1 20 ? 29.785  9.958   18.723 1.00 71.01  ? 132 SER B OG  1 
ATOM   609  N N   . CYS B 1 21 ? 29.735  12.181  21.777 1.00 77.46  ? 133 CYS B N   1 
ATOM   610  C CA  . CYS B 1 21 ? 30.693  13.115  22.341 1.00 71.80  ? 133 CYS B CA  1 
ATOM   611  C C   . CYS B 1 21 ? 30.187  13.776  23.619 1.00 71.89  ? 133 CYS B C   1 
ATOM   612  O O   . CYS B 1 21 ? 30.846  14.685  24.102 1.00 73.01  ? 133 CYS B O   1 
ATOM   613  C CB  . CYS B 1 21 ? 31.030  14.199  21.329 1.00 78.03  ? 133 CYS B CB  1 
ATOM   614  S SG  . CYS B 1 21 ? 29.898  15.600  21.444 1.00 100.77 ? 133 CYS B SG  1 
ATOM   615  N N   . GLY B 1 22 ? 29.040  13.338  24.165 1.00 78.77  ? 134 GLY B N   1 
ATOM   616  C CA  . GLY B 1 22 ? 28.499  13.904  25.397 1.00 64.85  ? 134 GLY B CA  1 
ATOM   617  C C   . GLY B 1 22 ? 27.407  14.948  25.135 1.00 64.04  ? 134 GLY B C   1 
ATOM   618  O O   . GLY B 1 22 ? 26.466  15.069  25.924 1.00 63.83  ? 134 GLY B O   1 
ATOM   619  N N   . ASP B 1 23 ? 27.570  15.731  24.053 1.00 62.70  ? 135 ASP B N   1 
ATOM   620  C CA  . ASP B 1 23 ? 26.547  16.631  23.531 1.00 56.56  ? 135 ASP B CA  1 
ATOM   621  C C   . ASP B 1 23 ? 25.881  15.992  22.307 1.00 53.06  ? 135 ASP B C   1 
ATOM   622  O O   . ASP B 1 23 ? 26.523  15.320  21.487 1.00 43.67  ? 135 ASP B O   1 
ATOM   623  C CB  . ASP B 1 23 ? 27.143  17.938  23.042 1.00 63.96  ? 135 ASP B CB  1 
ATOM   624  C CG  . ASP B 1 23 ? 27.767  18.855  24.079 1.00 71.65  ? 135 ASP B CG  1 
ATOM   625  O OD1 . ASP B 1 23 ? 27.394  18.725  25.273 1.00 72.82  ? 135 ASP B OD1 1 
ATOM   626  O OD2 . ASP B 1 23 ? 28.630  19.692  23.676 1.00 58.58  ? 135 ASP B OD2 1 
ATOM   627  N N   . LEU B 1 24 ? 24.572  16.215  22.153 1.00 39.41  ? 136 LEU B N   1 
ATOM   628  C CA  . LEU B 1 24 ? 23.866  15.725  20.983 1.00 36.74  ? 136 LEU B CA  1 
ATOM   629  C C   . LEU B 1 24 ? 24.322  16.527  19.767 1.00 32.50  ? 136 LEU B C   1 
ATOM   630  O O   . LEU B 1 24 ? 24.369  17.745  19.812 1.00 27.71  ? 136 LEU B O   1 
ATOM   631  C CB  . LEU B 1 24 ? 22.360  15.801  21.197 1.00 35.37  ? 136 LEU B CB  1 
ATOM   632  C CG  . LEU B 1 24 ? 21.520  15.187  20.078 1.00 37.76  ? 136 LEU B CG  1 
ATOM   633  C CD1 . LEU B 1 24 ? 21.798  13.701  19.847 1.00 41.35  ? 136 LEU B CD1 1 
ATOM   634  C CD2 . LEU B 1 24 ? 20.045  15.394  20.337 1.00 34.33  ? 136 LEU B CD2 1 
ATOM   635  N N   . MET B 1 25 ? 24.713  15.819  18.703 1.00 33.98  ? 137 MET B N   1 
ATOM   636  C CA  . MET B 1 25 ? 25.191  16.429  17.475 1.00 35.04  ? 137 MET B CA  1 
ATOM   637  C C   . MET B 1 25 ? 24.411  15.840  16.319 1.00 25.64  ? 137 MET B C   1 
ATOM   638  O O   . MET B 1 25 ? 24.062  14.683  16.389 1.00 30.40  ? 137 MET B O   1 
ATOM   639  C CB  . MET B 1 25 ? 26.672  16.115  17.231 1.00 39.75  ? 137 MET B CB  1 
ATOM   640  C CG  . MET B 1 25 ? 27.553  16.467  18.382 1.00 44.55  ? 137 MET B CG  1 
ATOM   641  S SD  . MET B 1 25 ? 28.170  18.144  18.243 1.00 51.64  ? 137 MET B SD  1 
ATOM   642  C CE  . MET B 1 25 ? 29.590  17.573  17.289 1.00 53.86  ? 137 MET B CE  1 
ATOM   643  N N   . PHE B 1 26 ? 24.215  16.626  15.262 1.00 27.09  ? 138 PHE B N   1 
ATOM   644  C CA  . PHE B 1 26 ? 23.587  16.177  14.027 1.00 27.40  ? 138 PHE B CA  1 
ATOM   645  C C   . PHE B 1 26 ? 24.615  16.176  12.898 1.00 28.90  ? 138 PHE B C   1 
ATOM   646  O O   . PHE B 1 26 ? 25.466  17.055  12.821 1.00 30.76  ? 138 PHE B O   1 
ATOM   647  C CB  . PHE B 1 26 ? 22.415  17.084  13.616 1.00 29.48  ? 138 PHE B CB  1 
ATOM   648  C CG  . PHE B 1 26 ? 21.212  17.046  14.549 1.00 26.80  ? 138 PHE B CG  1 
ATOM   649  C CD1 . PHE B 1 26 ? 20.589  15.852  14.831 1.00 29.46  ? 138 PHE B CD1 1 
ATOM   650  C CD2 . PHE B 1 26 ? 20.672  18.212  15.092 1.00 31.43  ? 138 PHE B CD2 1 
ATOM   651  C CE1 . PHE B 1 26 ? 19.445  15.808  15.630 1.00 31.29  ? 138 PHE B CE1 1 
ATOM   652  C CE2 . PHE B 1 26 ? 19.556  18.167  15.922 1.00 27.75  ? 138 PHE B CE2 1 
ATOM   653  C CZ  . PHE B 1 26 ? 18.975  16.960  16.218 1.00 30.18  ? 138 PHE B CZ  1 
ATOM   654  N N   . LEU B 1 27 ? 24.498  15.185  12.007 1.00 28.00  ? 139 LEU B N   1 
ATOM   655  C CA  . LEU B 1 27 ? 25.211  15.225  10.744 1.00 27.44  ? 139 LEU B CA  1 
ATOM   656  C C   . LEU B 1 27 ? 24.307  15.905  9.725  1.00 22.10  ? 139 LEU B C   1 
ATOM   657  O O   . LEU B 1 27 ? 23.293  15.351  9.307  1.00 26.02  ? 139 LEU B O   1 
ATOM   658  C CB  . LEU B 1 27 ? 25.646  13.813  10.336 1.00 28.87  ? 139 LEU B CB  1 
ATOM   659  C CG  . LEU B 1 27 ? 26.452  13.722  9.030  1.00 33.03  ? 139 LEU B CG  1 
ATOM   660  C CD1 . LEU B 1 27 ? 27.743  14.510  9.104  1.00 32.26  ? 139 LEU B CD1 1 
ATOM   661  C CD2 . LEU B 1 27 ? 26.745  12.261  8.647  1.00 33.23  ? 139 LEU B CD2 1 
ATOM   662  N N   . MET B 1 28 ? 24.715  17.095  9.307  1.00 19.92  ? 140 MET B N   1 
ATOM   663  C CA  . MET B 1 28 ? 23.910  17.976  8.498  1.00 25.00  ? 140 MET B CA  1 
ATOM   664  C C   . MET B 1 28 ? 24.367  17.926  7.033  1.00 25.82  ? 140 MET B C   1 
ATOM   665  O O   . MET B 1 28 ? 25.524  18.154  6.720  1.00 25.21  ? 140 MET B O   1 
ATOM   666  C CB  . MET B 1 28 ? 24.011  19.426  8.998  1.00 21.80  ? 140 MET B CB  1 
ATOM   667  C CG  . MET B 1 28 ? 23.194  20.414  8.192  1.00 25.18  ? 140 MET B CG  1 
ATOM   668  S SD  . MET B 1 28 ? 21.406  20.222  8.410  1.00 29.07  ? 140 MET B SD  1 
ATOM   669  C CE  . MET B 1 28 ? 21.306  20.909  10.066 1.00 28.10  ? 140 MET B CE  1 
ATOM   670  N N   . LYS B 1 29 ? 23.402  17.680  6.159  1.00 29.05  ? 141 LYS B N   1 
ATOM   671  C CA  . LYS B 1 29 ? 23.523  17.916  4.733  1.00 28.03  ? 141 LYS B CA  1 
ATOM   672  C C   . LYS B 1 29 ? 23.075  19.343  4.427  1.00 27.06  ? 141 LYS B C   1 
ATOM   673  O O   . LYS B 1 29 ? 21.941  19.709  4.718  1.00 30.12  ? 141 LYS B O   1 
ATOM   674  C CB  . LYS B 1 29 ? 22.554  16.960  4.027  1.00 34.04  ? 141 LYS B CB  1 
ATOM   675  C CG  . LYS B 1 29 ? 22.967  16.406  2.666  1.00 39.27  ? 141 LYS B CG  1 
ATOM   676  C CD  . LYS B 1 29 ? 23.162  17.468  1.624  1.00 43.83  ? 141 LYS B CD  1 
ATOM   677  C CE  . LYS B 1 29 ? 23.459  16.914  0.254  1.00 44.99  ? 141 LYS B CE  1 
ATOM   678  N NZ  . LYS B 1 29 ? 23.257  18.155  -0.493 1.00 40.91  ? 141 LYS B NZ  1 
ATOM   679  N N   . TRP B 1 30 ? 23.963  20.112  3.792  1.00 27.38  ? 142 TRP B N   1 
ATOM   680  C CA  . TRP B 1 30 ? 23.688  21.465  3.355  1.00 28.28  ? 142 TRP B CA  1 
ATOM   681  C C   . TRP B 1 30 ? 23.293  21.432  1.887  1.00 33.51  ? 142 TRP B C   1 
ATOM   682  O O   . TRP B 1 30 ? 23.830  20.599  1.149  1.00 32.43  ? 142 TRP B O   1 
ATOM   683  C CB  . TRP B 1 30 ? 24.948  22.318  3.517  1.00 30.14  ? 142 TRP B CB  1 
ATOM   684  C CG  . TRP B 1 30 ? 25.543  22.342  4.888  1.00 28.65  ? 142 TRP B CG  1 
ATOM   685  C CD1 . TRP B 1 30 ? 26.647  21.667  5.297  1.00 31.58  ? 142 TRP B CD1 1 
ATOM   686  C CD2 . TRP B 1 30 ? 25.034  23.056  6.040  1.00 29.37  ? 142 TRP B CD2 1 
ATOM   687  N NE1 . TRP B 1 30 ? 26.867  21.926  6.622  1.00 36.44  ? 142 TRP B NE1 1 
ATOM   688  C CE2 . TRP B 1 30 ? 25.896  22.762  7.101  1.00 31.88  ? 142 TRP B CE2 1 
ATOM   689  C CE3 . TRP B 1 30 ? 23.912  23.865  6.271  1.00 34.62  ? 142 TRP B CE3 1 
ATOM   690  C CZ2 . TRP B 1 30 ? 25.688  23.250  8.382  1.00 37.55  ? 142 TRP B CZ2 1 
ATOM   691  C CZ3 . TRP B 1 30 ? 23.710  24.370  7.528  1.00 30.88  ? 142 TRP B CZ3 1 
ATOM   692  C CH2 . TRP B 1 30 ? 24.597  24.067  8.566  1.00 37.45  ? 142 TRP B CH2 1 
ATOM   693  N N   . LYS B 1 31 ? 22.438  22.381  1.467  1.00 34.68  ? 143 LYS B N   1 
ATOM   694  C CA  . LYS B 1 31 ? 22.053  22.494  0.072  1.00 41.97  ? 143 LYS B CA  1 
ATOM   695  C C   . LYS B 1 31 ? 23.269  22.798  -0.798 1.00 41.05  ? 143 LYS B C   1 
ATOM   696  O O   . LYS B 1 31 ? 24.173  23.576  -0.446 1.00 40.25  ? 143 LYS B O   1 
ATOM   697  C CB  . LYS B 1 31 ? 21.049  23.606  -0.232 1.00 48.19  ? 143 LYS B CB  1 
ATOM   698  C CG  . LYS B 1 31 ? 19.695  23.346  0.370  1.00 52.36  ? 143 LYS B CG  1 
ATOM   699  C CD  . LYS B 1 31 ? 18.699  24.482  0.148  1.00 52.00  ? 143 LYS B CD  1 
ATOM   700  C CE  . LYS B 1 31 ? 17.403  24.174  0.862  1.00 55.43  ? 143 LYS B CE  1 
ATOM   701  N NZ  . LYS B 1 31 ? 16.560  25.364  1.026  1.00 55.90  ? 143 LYS B NZ  1 
ATOM   702  N N   . ASP B 1 32 ? 23.290  22.095  -1.928 1.00 46.25  ? 144 ASP B N   1 
ATOM   703  C CA  . ASP B 1 32 ? 24.264  22.294  -2.985 1.00 51.12  ? 144 ASP B CA  1 
ATOM   704  C C   . ASP B 1 32 ? 25.661  21.981  -2.481 1.00 46.11  ? 144 ASP B C   1 
ATOM   705  O O   . ASP B 1 32 ? 26.579  22.685  -2.839 1.00 49.00  ? 144 ASP B O   1 
ATOM   706  C CB  . ASP B 1 32 ? 24.098  23.683  -3.587 1.00 55.66  ? 144 ASP B CB  1 
ATOM   707  C CG  . ASP B 1 32 ? 22.695  23.959  -4.112 1.00 59.42  ? 144 ASP B CG  1 
ATOM   708  O OD1 . ASP B 1 32 ? 22.196  23.110  -4.864 1.00 54.17  ? 144 ASP B OD1 1 
ATOM   709  O OD2 . ASP B 1 32 ? 22.084  24.984  -3.718 1.00 66.97  ? 144 ASP B OD2 1 
ATOM   710  N N   . THR B 1 33 ? 25.810  20.966  -1.622 1.00 42.81  ? 145 THR B N   1 
ATOM   711  C CA  . THR B 1 33 ? 27.121  20.467  -1.237 1.00 45.14  ? 145 THR B CA  1 
ATOM   712  C C   . THR B 1 33 ? 26.977  19.032  -0.786 1.00 41.21  ? 145 THR B C   1 
ATOM   713  O O   . THR B 1 33 ? 26.018  18.742  -0.077 1.00 39.43  ? 145 THR B O   1 
ATOM   714  C CB  . THR B 1 33 ? 27.729  21.272  -0.102 1.00 48.35  ? 145 THR B CB  1 
ATOM   715  O OG1 . THR B 1 33 ? 28.050  22.536  -0.666 1.00 68.88  ? 145 THR B OG1 1 
ATOM   716  C CG2 . THR B 1 33 ? 28.981  20.615  0.429  1.00 42.53  ? 145 THR B CG2 1 
ATOM   717  N N   . ASP B 1 34 ? 27.936  18.175  -1.170 1.00 39.47  ? 146 ASP B N   1 
ATOM   718  C CA  . ASP B 1 34 ? 27.965  16.808  -0.687 1.00 48.08  ? 146 ASP B CA  1 
ATOM   719  C C   . ASP B 1 34 ? 28.961  16.630  0.456  1.00 44.76  ? 146 ASP B C   1 
ATOM   720  O O   . ASP B 1 34 ? 29.383  15.516  0.735  1.00 49.02  ? 146 ASP B O   1 
ATOM   721  C CB  . ASP B 1 34 ? 28.321  15.866  -1.816 1.00 54.89  ? 146 ASP B CB  1 
ATOM   722  C CG  . ASP B 1 34 ? 27.383  15.935  -3.012 1.00 62.82  ? 146 ASP B CG  1 
ATOM   723  O OD1 . ASP B 1 34 ? 26.128  15.866  -2.805 1.00 48.14  ? 146 ASP B OD1 1 
ATOM   724  O OD2 . ASP B 1 34 ? 27.919  16.044  -4.138 1.00 61.85  ? 146 ASP B OD2 1 
ATOM   725  N N   . GLU B 1 35 ? 29.360  17.735  1.080  1.00 38.26  ? 147 GLU B N   1 
ATOM   726  C CA  . GLU B 1 35 ? 30.250  17.679  2.230  1.00 42.50  ? 147 GLU B CA  1 
ATOM   727  C C   . GLU B 1 35 ? 29.414  17.894  3.488  1.00 30.89  ? 147 GLU B C   1 
ATOM   728  O O   . GLU B 1 35 ? 29.014  19.015  3.774  1.00 31.60  ? 147 GLU B O   1 
ATOM   729  C CB  . GLU B 1 35 ? 31.323  18.741  2.025  1.00 47.89  ? 147 GLU B CB  1 
ATOM   730  C CG  . GLU B 1 35 ? 32.549  18.599  2.913  1.00 61.86  ? 147 GLU B CG  1 
ATOM   731  C CD  . GLU B 1 35 ? 33.506  19.715  2.514  1.00 68.31  ? 147 GLU B CD  1 
ATOM   732  O OE1 . GLU B 1 35 ? 33.857  20.566  3.378  1.00 64.25  ? 147 GLU B OE1 1 
ATOM   733  O OE2 . GLU B 1 35 ? 33.830  19.744  1.293  1.00 68.60  ? 147 GLU B OE2 1 
ATOM   734  N N   . ALA B 1 36 ? 29.131  16.829  4.223  1.00 29.63  ? 148 ALA B N   1 
ATOM   735  C CA  . ALA B 1 36 ? 28.271  16.912  5.397  1.00 34.66  ? 148 ALA B CA  1 
ATOM   736  C C   . ALA B 1 36 ? 29.127  17.316  6.594  1.00 34.65  ? 148 ALA B C   1 
ATOM   737  O O   . ALA B 1 36 ? 30.328  17.055  6.579  1.00 32.63  ? 148 ALA B O   1 
ATOM   738  C CB  . ALA B 1 36 ? 27.579  15.594  5.627  1.00 33.78  ? 148 ALA B CB  1 
ATOM   739  N N   . ASP B 1 37 ? 28.491  17.862  7.637  1.00 32.76  ? 149 ASP B N   1 
ATOM   740  C CA  . ASP B 1 37 ? 29.186  18.467  8.764  1.00 38.05  ? 149 ASP B CA  1 
ATOM   741  C C   . ASP B 1 37 ? 28.488  18.129  10.065 1.00 31.70  ? 149 ASP B C   1 
ATOM   742  O O   . ASP B 1 37 ? 27.258  18.129  10.094 1.00 29.43  ? 149 ASP B O   1 
ATOM   743  C CB  . ASP B 1 37 ? 28.998  19.979  8.797  1.00 41.17  ? 149 ASP B CB  1 
ATOM   744  C CG  . ASP B 1 37 ? 30.036  20.732  8.020  1.00 39.32  ? 149 ASP B CG  1 
ATOM   745  O OD1 . ASP B 1 37 ? 31.182  20.413  8.265  1.00 53.76  ? 149 ASP B OD1 1 
ATOM   746  O OD2 . ASP B 1 37 ? 29.678  21.660  7.281  1.00 45.59  ? 149 ASP B OD2 1 
ATOM   747  N N   . LEU B 1 38 ? 29.257  18.010  11.159 1.00 30.79  ? 150 LEU B N   1 
ATOM   748  C CA  . LEU B 1 38 ? 28.659  17.876  12.488 1.00 36.73  ? 150 LEU B CA  1 
ATOM   749  C C   . LEU B 1 38 ? 28.319  19.243  13.093 1.00 36.43  ? 150 LEU B C   1 
ATOM   750  O O   . LEU B 1 38 ? 29.158  20.144  13.144 1.00 38.24  ? 150 LEU B O   1 
ATOM   751  C CB  . LEU B 1 38 ? 29.601  17.103  13.401 1.00 41.00  ? 150 LEU B CB  1 
ATOM   752  C CG  . LEU B 1 38 ? 29.546  15.586  13.275 1.00 47.42  ? 150 LEU B CG  1 
ATOM   753  C CD1 . LEU B 1 38 ? 30.456  15.123  14.417 1.00 59.60  ? 150 LEU B CD1 1 
ATOM   754  C CD2 . LEU B 1 38 ? 28.164  14.961  13.395 1.00 45.05  ? 150 LEU B CD2 1 
ATOM   755  N N   . VAL B 1 39 ? 27.069  19.391  13.556 1.00 32.90  ? 151 VAL B N   1 
ATOM   756  C CA  . VAL B 1 39 ? 26.646  20.618  14.219 1.00 27.05  ? 151 VAL B CA  1 
ATOM   757  C C   . VAL B 1 39 ? 26.011  20.195  15.529 1.00 24.76  ? 151 VAL B C   1 
ATOM   758  O O   . VAL B 1 39 ? 25.529  19.065  15.657 1.00 23.05  ? 151 VAL B O   1 
ATOM   759  C CB  . VAL B 1 39 ? 25.709  21.455  13.343 1.00 31.24  ? 151 VAL B CB  1 
ATOM   760  C CG1 . VAL B 1 39 ? 26.380  21.864  12.021 1.00 35.18  ? 151 VAL B CG1 1 
ATOM   761  C CG2 . VAL B 1 39 ? 24.415  20.704  13.055 1.00 30.13  ? 151 VAL B CG2 1 
ATOM   762  N N   . LEU B 1 40 ? 26.092  21.061  16.537 1.00 28.73  ? 152 LEU B N   1 
ATOM   763  C CA  . LEU B 1 40 ? 25.409  20.801  17.804 1.00 31.13  ? 152 LEU B CA  1 
ATOM   764  C C   . LEU B 1 40 ? 23.896  20.775  17.551 1.00 25.90  ? 152 LEU B C   1 
ATOM   765  O O   . LEU B 1 40 ? 23.380  21.653  16.878 1.00 23.82  ? 152 LEU B O   1 
ATOM   766  C CB  . LEU B 1 40 ? 25.756  21.918  18.781 1.00 34.45  ? 152 LEU B CB  1 
ATOM   767  C CG  . LEU B 1 40 ? 27.048  21.751  19.572 1.00 45.08  ? 152 LEU B CG  1 
ATOM   768  C CD1 . LEU B 1 40 ? 27.643  23.106  20.007 1.00 48.77  ? 152 LEU B CD1 1 
ATOM   769  C CD2 . LEU B 1 40 ? 26.727  20.856  20.752 1.00 43.37  ? 152 LEU B CD2 1 
ATOM   770  N N   . ALA B 1 41 ? 23.208  19.827  18.153 1.00 25.30  ? 153 ALA B N   1 
ATOM   771  C CA  . ALA B 1 41 ? 21.750  19.801  18.171 1.00 28.88  ? 153 ALA B CA  1 
ATOM   772  C C   . ALA B 1 41 ? 21.201  21.120  18.695 1.00 31.48  ? 153 ALA B C   1 
ATOM   773  O O   . ALA B 1 41 ? 20.313  21.719  18.062 1.00 32.74  ? 153 ALA B O   1 
ATOM   774  C CB  . ALA B 1 41 ? 21.242  18.654  19.000 1.00 30.11  ? 153 ALA B CB  1 
ATOM   775  N N   . LYS B 1 42 ? 21.827  21.642  19.762 1.00 31.90  ? 154 LYS B N   1 
ATOM   776  C CA  . LYS B 1 42 ? 21.335  22.860  20.391 1.00 36.61  ? 154 LYS B CA  1 
ATOM   777  C C   . LYS B 1 42 ? 21.345  24.002  19.365 1.00 37.63  ? 154 LYS B C   1 
ATOM   778  O O   . LYS B 1 42 ? 20.418  24.824  19.318 1.00 39.12  ? 154 LYS B O   1 
ATOM   779  C CB  . LYS B 1 42 ? 22.052  23.156  21.722 1.00 37.01  ? 154 LYS B CB  1 
ATOM   780  N N   . GLU B 1 43 ? 22.345  24.036  18.478 1.00 30.66  ? 155 GLU B N   1 
ATOM   781  C CA  . GLU B 1 43 ? 22.403  25.106  17.504 1.00 30.65  ? 155 GLU B CA  1 
ATOM   782  C C   . GLU B 1 43 ? 21.360  24.880  16.402 1.00 28.91  ? 155 GLU B C   1 
ATOM   783  O O   . GLU B 1 43 ? 20.703  25.811  15.977 1.00 25.18  ? 155 GLU B O   1 
ATOM   784  C CB  . GLU B 1 43 ? 23.837  25.270  17.010 1.00 31.86  ? 155 GLU B CB  1 
ATOM   785  C CG  . GLU B 1 43 ? 23.981  26.297  15.893 1.00 37.07  ? 155 GLU B CG  1 
ATOM   786  C CD  . GLU B 1 43 ? 25.406  26.435  15.321 1.00 46.67  ? 155 GLU B CD  1 
ATOM   787  O OE1 . GLU B 1 43 ? 25.713  27.492  14.710 1.00 53.37  ? 155 GLU B OE1 1 
ATOM   788  O OE2 . GLU B 1 43 ? 26.178  25.462  15.421 1.00 43.38  ? 155 GLU B OE2 1 
ATOM   789  N N   . ALA B 1 44 ? 21.206  23.660  15.921 1.00 29.60  ? 156 ALA B N   1 
ATOM   790  C CA  . ALA B 1 44 ? 20.198  23.389  14.899 1.00 28.94  ? 156 ALA B CA  1 
ATOM   791  C C   . ALA B 1 44 ? 18.795  23.617  15.467 1.00 26.82  ? 156 ALA B C   1 
ATOM   792  O O   . ALA B 1 44 ? 17.923  24.110  14.768 1.00 28.09  ? 156 ALA B O   1 
ATOM   793  C CB  . ALA B 1 44 ? 20.347  21.978  14.386 1.00 28.50  ? 156 ALA B CB  1 
ATOM   794  N N   . ASN B 1 45 ? 18.572  23.231  16.726 1.00 25.14  ? 157 ASN B N   1 
ATOM   795  C CA  . ASN B 1 45 ? 17.264  23.433  17.337 1.00 27.78  ? 157 ASN B CA  1 
ATOM   796  C C   . ASN B 1 45 ? 16.817  24.884  17.193 1.00 30.17  ? 157 ASN B C   1 
ATOM   797  O O   . ASN B 1 45 ? 15.653  25.142  16.896 1.00 26.46  ? 157 ASN B O   1 
ATOM   798  C CB  . ASN B 1 45 ? 17.266  23.081  18.812 1.00 26.61  ? 157 ASN B CB  1 
ATOM   799  C CG  . ASN B 1 45 ? 17.467  21.609  19.059 1.00 23.72  ? 157 ASN B CG  1 
ATOM   800  O OD1 . ASN B 1 45 ? 17.363  20.772  18.148 1.00 25.08  ? 157 ASN B OD1 1 
ATOM   801  N ND2 . ASN B 1 45 ? 17.675  21.274  20.318 1.00 22.69  ? 157 ASN B ND2 1 
ATOM   802  N N   . VAL B 1 46 ? 17.764  25.818  17.352 1.00 33.74  ? 158 VAL B N   1 
ATOM   803  C CA  . VAL B 1 46 ? 17.445  27.236  17.366 1.00 32.65  ? 158 VAL B CA  1 
ATOM   804  C C   . VAL B 1 46 ? 17.401  27.782  15.944 1.00 29.34  ? 158 VAL B C   1 
ATOM   805  O O   . VAL B 1 46 ? 16.625  28.679  15.633 1.00 25.98  ? 158 VAL B O   1 
ATOM   806  C CB  . VAL B 1 46 ? 18.473  28.024  18.206 1.00 40.95  ? 158 VAL B CB  1 
ATOM   807  C CG1 . VAL B 1 46 ? 18.149  29.511  18.255 1.00 48.89  ? 158 VAL B CG1 1 
ATOM   808  C CG2 . VAL B 1 46 ? 18.581  27.519  19.626 1.00 50.72  ? 158 VAL B CG2 1 
ATOM   809  N N   . LYS B 1 47 ? 18.292  27.324  15.064 1.00 24.32  ? 159 LYS B N   1 
ATOM   810  C CA  . LYS B 1 47 ? 18.450  27.989  13.770 1.00 25.37  ? 159 LYS B CA  1 
ATOM   811  C C   . LYS B 1 47 ? 17.534  27.423  12.684 1.00 21.56  ? 159 LYS B C   1 
ATOM   812  O O   . LYS B 1 47 ? 17.148  28.127  11.750 1.00 26.34  ? 159 LYS B O   1 
ATOM   813  C CB  . LYS B 1 47 ? 19.908  27.908  13.333 1.00 28.80  ? 159 LYS B CB  1 
ATOM   814  C CG  . LYS B 1 47 ? 20.845  28.623  14.270 1.00 27.55  ? 159 LYS B CG  1 
ATOM   815  C CD  . LYS B 1 47 ? 22.269  28.680  13.716 1.00 36.64  ? 159 LYS B CD  1 
ATOM   816  C CE  . LYS B 1 47 ? 23.164  29.431  14.686 1.00 32.12  ? 159 LYS B CE  1 
ATOM   817  N NZ  . LYS B 1 47 ? 24.019  30.393  14.011 1.00 34.01  ? 159 LYS B NZ  1 
ATOM   818  N N   . CYS B 1 48 ? 17.232  26.135  12.758 1.00 24.81  ? 160 CYS B N   1 
ATOM   819  C CA  . CYS B 1 48 ? 16.427  25.462  11.750 1.00 24.54  ? 160 CYS B CA  1 
ATOM   820  C C   . CYS B 1 48 ? 15.597  24.391  12.442 1.00 23.82  ? 160 CYS B C   1 
ATOM   821  O O   . CYS B 1 48 ? 15.734  23.187  12.150 1.00 25.83  ? 160 CYS B O   1 
ATOM   822  C CB  . CYS B 1 48 ? 17.288  24.898  10.615 1.00 26.25  ? 160 CYS B CB  1 
ATOM   823  S SG  . CYS B 1 48 ? 18.631  23.778  11.156 1.00 25.42  ? 160 CYS B SG  1 
ATOM   824  N N   . PRO B 1 49 ? 14.733  24.774  13.419 1.00 23.08  ? 161 PRO B N   1 
ATOM   825  C CA  . PRO B 1 49 ? 13.921  23.796  14.147 1.00 19.84  ? 161 PRO B CA  1 
ATOM   826  C C   . PRO B 1 49 ? 13.068  22.877  13.271 1.00 18.00  ? 161 PRO B C   1 
ATOM   827  O O   . PRO B 1 49 ? 12.824  21.736  13.633 1.00 19.10  ? 161 PRO B O   1 
ATOM   828  C CB  . PRO B 1 49 ? 13.052  24.668  15.071 1.00 22.50  ? 161 PRO B CB  1 
ATOM   829  C CG  . PRO B 1 49 ? 13.010  26.004  14.416 1.00 22.52  ? 161 PRO B CG  1 
ATOM   830  C CD  . PRO B 1 49 ? 14.461  26.152  13.846 1.00 24.63  ? 161 PRO B CD  1 
ATOM   831  N N   . GLN B 1 50 ? 12.536  23.376  12.141 1.00 21.80  ? 162 GLN B N   1 
ATOM   832  C CA  . GLN B 1 50 ? 11.691  22.503  11.307 1.00 23.09  ? 162 GLN B CA  1 
ATOM   833  C C   . GLN B 1 50 ? 12.531  21.421  10.598 1.00 25.57  ? 162 GLN B C   1 
ATOM   834  O O   . GLN B 1 50 ? 12.032  20.338  10.288 1.00 28.74  ? 162 GLN B O   1 
ATOM   835  C CB  . GLN B 1 50 ? 10.853  23.263  10.269 1.00 24.66  ? 162 GLN B CB  1 
ATOM   836  C CG  . GLN B 1 50 ? 9.952   24.367  10.832 1.00 23.34  ? 162 GLN B CG  1 
ATOM   837  C CD  . GLN B 1 50 ? 9.122   23.992  12.040 1.00 26.10  ? 162 GLN B CD  1 
ATOM   838  O OE1 . GLN B 1 50 ? 8.985   24.751  13.014 1.00 28.19  ? 162 GLN B OE1 1 
ATOM   839  N NE2 . GLN B 1 50 ? 8.592   22.789  12.029 1.00 22.76  ? 162 GLN B NE2 1 
ATOM   840  N N   . ILE B 1 51 ? 13.817  21.665  10.371 1.00 22.44  ? 163 ILE B N   1 
ATOM   841  C CA  . ILE B 1 51 ? 14.694  20.648  9.807  1.00 24.52  ? 163 ILE B CA  1 
ATOM   842  C C   . ILE B 1 51 ? 14.994  19.553  10.839 1.00 24.57  ? 163 ILE B C   1 
ATOM   843  O O   . ILE B 1 51 ? 14.985  18.348  10.514 1.00 26.05  ? 163 ILE B O   1 
ATOM   844  C CB  . ILE B 1 51 ? 15.936  21.321  9.164  1.00 26.14  ? 163 ILE B CB  1 
ATOM   845  C CG1 . ILE B 1 51 ? 15.686  21.597  7.663  1.00 34.68  ? 163 ILE B CG1 1 
ATOM   846  C CG2 . ILE B 1 51 ? 17.176  20.449  9.283  1.00 24.63  ? 163 ILE B CG2 1 
ATOM   847  C CD1 . ILE B 1 51 ? 15.551  23.038  7.303  1.00 40.72  ? 163 ILE B CD1 1 
ATOM   848  N N   . VAL B 1 52 ? 15.180  19.967  12.101 1.00 24.03  ? 164 VAL B N   1 
ATOM   849  C CA  . VAL B 1 52 ? 15.330  19.028  13.195 1.00 21.99  ? 164 VAL B CA  1 
ATOM   850  C C   . VAL B 1 52 ? 14.084  18.148  13.287 1.00 22.16  ? 164 VAL B C   1 
ATOM   851  O O   . VAL B 1 52 ? 14.201  16.933  13.342 1.00 21.18  ? 164 VAL B O   1 
ATOM   852  C CB  . VAL B 1 52 ? 15.615  19.792  14.497 1.00 25.09  ? 164 VAL B CB  1 
ATOM   853  C CG1 . VAL B 1 52 ? 15.669  18.848  15.697 1.00 23.91  ? 164 VAL B CG1 1 
ATOM   854  C CG2 . VAL B 1 52 ? 16.910  20.580  14.412 1.00 25.94  ? 164 VAL B CG2 1 
ATOM   855  N N   . ILE B 1 53 ? 12.896  18.765  13.269 1.00 22.40  ? 165 ILE B N   1 
ATOM   856  C CA  . ILE B 1 53 ? 11.655  18.035  13.470 1.00 21.89  ? 165 ILE B CA  1 
ATOM   857  C C   . ILE B 1 53 ? 11.395  17.070  12.315 1.00 22.88  ? 165 ILE B C   1 
ATOM   858  O O   . ILE B 1 53 ? 10.962  15.944  12.530 1.00 20.28  ? 165 ILE B O   1 
ATOM   859  C CB  . ILE B 1 53 ? 10.481  19.010  13.694 1.00 24.15  ? 165 ILE B CB  1 
ATOM   860  C CG1 . ILE B 1 53 ? 10.627  19.687  15.056 1.00 24.15  ? 165 ILE B CG1 1 
ATOM   861  C CG2 . ILE B 1 53 ? 9.115   18.318  13.582 1.00 25.19  ? 165 ILE B CG2 1 
ATOM   862  C CD1 . ILE B 1 53 ? 9.714   20.867  15.273 1.00 23.31  ? 165 ILE B CD1 1 
ATOM   863  N N   . ALA B 1 54 ? 11.648  17.485  11.084 1.00 26.21  ? 166 ALA B N   1 
ATOM   864  C CA  . ALA B 1 54 ? 11.503  16.586  9.936  1.00 23.90  ? 166 ALA B CA  1 
ATOM   865  C C   . ALA B 1 54 ? 12.378  15.338  10.116 1.00 26.92  ? 166 ALA B C   1 
ATOM   866  O O   . ALA B 1 54 ? 11.912  14.202  9.874  1.00 24.46  ? 166 ALA B O   1 
ATOM   867  C CB  . ALA B 1 54 ? 11.841  17.308  8.654  1.00 21.16  ? 166 ALA B CB  1 
ATOM   868  N N   . PHE B 1 55 ? 13.617  15.535  10.616 1.00 23.53  ? 167 PHE B N   1 
ATOM   869  C CA  . PHE B 1 55 ? 14.468  14.397  10.905 1.00 26.88  ? 167 PHE B CA  1 
ATOM   870  C C   . PHE B 1 55 ? 13.793  13.466  11.924 1.00 28.52  ? 167 PHE B C   1 
ATOM   871  O O   . PHE B 1 55 ? 13.758  12.253  11.745 1.00 25.59  ? 167 PHE B O   1 
ATOM   872  C CB  . PHE B 1 55 ? 15.831  14.860  11.427 1.00 26.23  ? 167 PHE B CB  1 
ATOM   873  C CG  . PHE B 1 55 ? 16.648  13.739  12.035 1.00 27.88  ? 167 PHE B CG  1 
ATOM   874  C CD1 . PHE B 1 55 ? 17.267  12.794  11.217 1.00 26.78  ? 167 PHE B CD1 1 
ATOM   875  C CD2 . PHE B 1 55 ? 16.841  13.668  13.397 1.00 24.82  ? 167 PHE B CD2 1 
ATOM   876  C CE1 . PHE B 1 55 ? 18.023  11.766  11.779 1.00 26.25  ? 167 PHE B CE1 1 
ATOM   877  C CE2 . PHE B 1 55 ? 17.596  12.640  13.959 1.00 30.32  ? 167 PHE B CE2 1 
ATOM   878  C CZ  . PHE B 1 55 ? 18.186  11.691  13.141 1.00 29.14  ? 167 PHE B CZ  1 
ATOM   879  N N   . TYR B 1 56 ? 13.271  14.029  13.015 1.00 25.29  ? 168 TYR B N   1 
ATOM   880  C CA  . TYR B 1 56 ? 12.723  13.203  14.065 1.00 26.18  ? 168 TYR B CA  1 
ATOM   881  C C   . TYR B 1 56 ? 11.429  12.533  13.610 1.00 26.84  ? 168 TYR B C   1 
ATOM   882  O O   . TYR B 1 56 ? 11.168  11.416  13.984 1.00 28.37  ? 168 TYR B O   1 
ATOM   883  C CB  . TYR B 1 56 ? 12.427  14.047  15.300 1.00 29.04  ? 168 TYR B CB  1 
ATOM   884  C CG  . TYR B 1 56 ? 13.638  14.364  16.148 1.00 28.20  ? 168 TYR B CG  1 
ATOM   885  C CD1 . TYR B 1 56 ? 14.480  13.366  16.613 1.00 29.69  ? 168 TYR B CD1 1 
ATOM   886  C CD2 . TYR B 1 56 ? 13.897  15.658  16.542 1.00 30.13  ? 168 TYR B CD2 1 
ATOM   887  C CE1 . TYR B 1 56 ? 15.560  13.658  17.425 1.00 26.80  ? 168 TYR B CE1 1 
ATOM   888  C CE2 . TYR B 1 56 ? 14.967  15.963  17.360 1.00 25.65  ? 168 TYR B CE2 1 
ATOM   889  C CZ  . TYR B 1 56 ? 15.820  14.969  17.773 1.00 26.36  ? 168 TYR B CZ  1 
ATOM   890  O OH  . TYR B 1 56 ? 16.894  15.339  18.550 1.00 26.83  ? 168 TYR B OH  1 
ATOM   891  N N   . GLU B 1 57 ? 10.608  13.229  12.832 1.00 30.80  ? 169 GLU B N   1 
ATOM   892  C CA  . GLU B 1 57 ? 9.333   12.699  12.367 1.00 36.52  ? 169 GLU B CA  1 
ATOM   893  C C   . GLU B 1 57 ? 9.557   11.497  11.466 1.00 39.01  ? 169 GLU B C   1 
ATOM   894  O O   . GLU B 1 57 ? 8.843   10.496  11.589 1.00 42.71  ? 169 GLU B O   1 
ATOM   895  C CB  . GLU B 1 57 ? 8.556   13.684  11.490 1.00 32.98  ? 169 GLU B CB  1 
ATOM   896  C CG  . GLU B 1 57 ? 7.882   14.786  12.282 1.00 36.99  ? 169 GLU B CG  1 
ATOM   897  C CD  . GLU B 1 57 ? 6.814   15.548  11.528 1.00 39.93  ? 169 GLU B CD  1 
ATOM   898  O OE1 . GLU B 1 57 ? 6.668   15.380  10.311 1.00 49.09  ? 169 GLU B OE1 1 
ATOM   899  O OE2 . GLU B 1 57 ? 6.099   16.273  12.209 1.00 34.65  ? 169 GLU B OE2 1 
ATOM   900  N N   . GLU B 1 58 ? 10.551  11.615  10.576 1.00 42.04  ? 170 GLU B N   1 
ATOM   901  C CA  . GLU B 1 58 ? 10.914  10.499  9.720  1.00 39.10  ? 170 GLU B CA  1 
ATOM   902  C C   . GLU B 1 58 ? 11.370  9.315   10.569 1.00 44.68  ? 170 GLU B C   1 
ATOM   903  O O   . GLU B 1 58 ? 10.944  8.190   10.323 1.00 43.23  ? 170 GLU B O   1 
ATOM   904  C CB  . GLU B 1 58 ? 11.956  10.909  8.678  1.00 36.00  ? 170 GLU B CB  1 
ATOM   905  N N   . ARG B 1 59 ? 12.191  9.565   11.601 1.00 39.81  ? 171 ARG B N   1 
ATOM   906  C CA  . ARG B 1 59 ? 12.715  8.479   12.416 1.00 40.87  ? 171 ARG B CA  1 
ATOM   907  C C   . ARG B 1 59 ? 11.615  7.818   13.266 1.00 49.69  ? 171 ARG B C   1 
ATOM   908  O O   . ARG B 1 59 ? 11.743  6.654   13.636 1.00 46.75  ? 171 ARG B O   1 
ATOM   909  C CB  . ARG B 1 59 ? 13.884  9.022   13.243 1.00 42.49  ? 171 ARG B CB  1 
ATOM   910  C CG  . ARG B 1 59 ? 14.173  8.428   14.609 1.00 43.64  ? 171 ARG B CG  1 
ATOM   911  C CD  . ARG B 1 59 ? 15.332  9.182   15.251 1.00 44.47  ? 171 ARG B CD  1 
ATOM   912  N NE  . ARG B 1 59 ? 15.984  8.350   16.261 1.00 48.39  ? 171 ARG B NE  1 
ATOM   913  C CZ  . ARG B 1 59 ? 17.110  7.661   16.062 1.00 51.18  ? 171 ARG B CZ  1 
ATOM   914  N NH1 . ARG B 1 59 ? 17.684  7.651   14.873 1.00 42.88  ? 171 ARG B NH1 1 
ATOM   915  N NH2 . ARG B 1 59 ? 17.641  6.973   17.057 1.00 50.41  ? 171 ARG B NH2 1 
ATOM   916  N N   . LEU B 1 60 ? 10.578  8.565   13.655 1.00 51.91  ? 172 LEU B N   1 
ATOM   917  C CA  . LEU B 1 60 ? 9.427   7.968   14.325 1.00 54.93  ? 172 LEU B CA  1 
ATOM   918  C C   . LEU B 1 60 ? 8.704   7.088   13.306 1.00 57.48  ? 172 LEU B C   1 
ATOM   919  O O   . LEU B 1 60 ? 8.130   6.081   13.670 1.00 62.78  ? 172 LEU B O   1 
ATOM   920  C CB  . LEU B 1 60 ? 8.472   9.023   14.892 1.00 55.47  ? 172 LEU B CB  1 
ATOM   921  N N   . THR B 1 61 ? 8.726   7.516   12.038 1.00 62.08  ? 173 THR B N   1 
ATOM   922  C CA  . THR B 1 61 ? 8.239   6.797   10.870 1.00 64.39  ? 173 THR B CA  1 
ATOM   923  C C   . THR B 1 61 ? 6.858   7.333   10.579 1.00 62.38  ? 173 THR B C   1 
ATOM   924  O O   . THR B 1 61 ? 6.770   8.575   10.462 1.00 54.07  ? 173 THR B O   1 
ATOM   925  C CB  . THR B 1 61 ? 8.270   5.271   10.986 1.00 72.56  ? 173 THR B CB  1 
ATOM   926  O OG1 . THR B 1 61 ? 9.632   4.858   11.104 1.00 75.38  ? 173 THR B OG1 1 
ATOM   927  C CG2 . THR B 1 61 ? 7.633   4.596   9.785  1.00 69.16  ? 173 THR B CG2 1 
ATOM   928  N N   . ALA C 1 2  ? -0.811  -3.103  61.862 1.00 94.34  ? 114 ALA C N   1 
ATOM   929  C CA  . ALA C 1 2  ? 0.461   -2.396  61.581 1.00 92.97  ? 114 ALA C CA  1 
ATOM   930  C C   . ALA C 1 2  ? 1.088   -2.841  60.252 1.00 97.70  ? 114 ALA C C   1 
ATOM   931  O O   . ALA C 1 2  ? 2.292   -2.685  60.080 1.00 99.45  ? 114 ALA C O   1 
ATOM   932  C CB  . ALA C 1 2  ? 1.397   -2.622  62.755 1.00 85.64  ? 114 ALA C CB  1 
ATOM   933  N N   . ARG C 1 3  ? 0.288   -3.344  59.294 1.00 83.57  ? 115 ARG C N   1 
ATOM   934  C CA  . ARG C 1 3  ? 0.818   -3.954  58.082 1.00 73.06  ? 115 ARG C CA  1 
ATOM   935  C C   . ARG C 1 3  ? 0.029   -3.475  56.856 1.00 79.60  ? 115 ARG C C   1 
ATOM   936  O O   . ARG C 1 3  ? -1.200  -3.408  56.880 1.00 69.84  ? 115 ARG C O   1 
ATOM   937  C CB  . ARG C 1 3  ? 0.793   -5.481  58.234 1.00 64.15  ? 115 ARG C CB  1 
ATOM   938  N N   . GLY C 1 4  ? 0.736   -3.138  55.771 1.00 70.65  ? 116 GLY C N   1 
ATOM   939  C CA  . GLY C 1 4  ? 0.123   -2.826  54.492 1.00 62.67  ? 116 GLY C CA  1 
ATOM   940  C C   . GLY C 1 4  ? -0.047  -1.324  54.298 1.00 53.83  ? 116 GLY C C   1 
ATOM   941  O O   . GLY C 1 4  ? 0.818   -0.498  54.637 1.00 48.35  ? 116 GLY C O   1 
ATOM   942  N N   . PHE C 1 5  ? -1.215  -0.966  53.763 1.00 57.97  ? 117 PHE C N   1 
ATOM   943  C CA  . PHE C 1 5  ? -1.571  0.446   53.627 1.00 62.05  ? 117 PHE C CA  1 
ATOM   944  C C   . PHE C 1 5  ? -1.739  1.055   55.017 1.00 64.08  ? 117 PHE C C   1 
ATOM   945  O O   . PHE C 1 5  ? -1.400  2.224   55.220 1.00 64.99  ? 117 PHE C O   1 
ATOM   946  C CB  . PHE C 1 5  ? -2.845  0.653   52.795 1.00 57.66  ? 117 PHE C CB  1 
ATOM   947  C CG  . PHE C 1 5  ? -2.606  0.631   51.290 1.00 45.47  ? 117 PHE C CG  1 
ATOM   948  C CD1 . PHE C 1 5  ? -2.122  1.753   50.643 1.00 44.80  ? 117 PHE C CD1 1 
ATOM   949  C CD2 . PHE C 1 5  ? -2.865  -0.513  50.541 1.00 47.37  ? 117 PHE C CD2 1 
ATOM   950  C CE1 . PHE C 1 5  ? -1.907  1.739   49.279 1.00 42.91  ? 117 PHE C CE1 1 
ATOM   951  C CE2 . PHE C 1 5  ? -2.634  -0.530  49.178 1.00 40.78  ? 117 PHE C CE2 1 
ATOM   952  C CZ  . PHE C 1 5  ? -2.162  0.591   48.557 1.00 38.83  ? 117 PHE C CZ  1 
ATOM   953  N N   . GLU C 1 6  ? -2.232  0.229   55.957 1.00 59.65  ? 118 GLU C N   1 
ATOM   954  C CA  . GLU C 1 6  ? -2.337  0.569   57.375 1.00 69.43  ? 118 GLU C CA  1 
ATOM   955  C C   . GLU C 1 6  ? -1.102  1.302   57.856 1.00 67.66  ? 118 GLU C C   1 
ATOM   956  O O   . GLU C 1 6  ? -1.220  2.237   58.639 1.00 81.54  ? 118 GLU C O   1 
ATOM   957  C CB  . GLU C 1 6  ? -2.317  -0.616  58.339 1.00 78.59  ? 118 GLU C CB  1 
ATOM   958  C CG  . GLU C 1 6  ? -3.623  -1.399  58.412 1.00 85.07  ? 118 GLU C CG  1 
ATOM   959  C CD  . GLU C 1 6  ? -4.036  -2.118  57.134 1.00 93.92  ? 118 GLU C CD  1 
ATOM   960  O OE1 . GLU C 1 6  ? -3.400  -1.885  56.078 1.00 93.72  ? 118 GLU C OE1 1 
ATOM   961  O OE2 . GLU C 1 6  ? -4.995  -2.923  57.197 1.00 96.09  ? 118 GLU C OE2 1 
ATOM   962  N N   . ARG C 1 7  ? 0.079   0.865   57.394 1.00 73.22  ? 119 ARG C N   1 
ATOM   963  C CA  . ARG C 1 7  ? 1.340   1.440   57.839 1.00 65.61  ? 119 ARG C CA  1 
ATOM   964  C C   . ARG C 1 7  ? 1.434   2.906   57.443 1.00 64.49  ? 119 ARG C C   1 
ATOM   965  O O   . ARG C 1 7  ? 2.322   3.616   57.888 1.00 63.36  ? 119 ARG C O   1 
ATOM   966  C CB  . ARG C 1 7  ? 2.523   0.654   57.269 1.00 65.93  ? 119 ARG C CB  1 
ATOM   967  C CG  . ARG C 1 7  ? 2.634   -0.714  57.931 1.00 67.53  ? 119 ARG C CG  1 
ATOM   968  C CD  . ARG C 1 7  ? 3.582   -1.688  57.249 1.00 61.57  ? 119 ARG C CD  1 
ATOM   969  N NE  . ARG C 1 7  ? 4.896   -1.116  56.947 1.00 61.41  ? 119 ARG C NE  1 
ATOM   970  C CZ  . ARG C 1 7  ? 5.845   -1.683  56.204 1.00 62.34  ? 119 ARG C CZ  1 
ATOM   971  N NH1 . ARG C 1 7  ? 7.022   -1.103  56.056 1.00 67.16  ? 119 ARG C NH1 1 
ATOM   972  N NH2 . ARG C 1 7  ? 5.640   -2.855  55.648 1.00 67.84  ? 119 ARG C NH2 1 
ATOM   973  N N   . GLY C 1 8  ? 0.527   3.334   56.561 1.00 75.89  ? 120 GLY C N   1 
ATOM   974  C CA  . GLY C 1 8  ? 0.421   4.727   56.160 1.00 75.87  ? 120 GLY C CA  1 
ATOM   975  C C   . GLY C 1 8  ? 1.603   5.185   55.303 1.00 72.25  ? 120 GLY C C   1 
ATOM   976  O O   . GLY C 1 8  ? 1.976   6.362   55.333 1.00 72.55  ? 120 GLY C O   1 
ATOM   977  N N   . LEU C 1 9  ? 2.206   4.232   54.572 1.00 68.13  ? 121 LEU C N   1 
ATOM   978  C CA  . LEU C 1 9  ? 3.425   4.478   53.818 1.00 65.27  ? 121 LEU C CA  1 
ATOM   979  C C   . LEU C 1 9  ? 3.091   4.770   52.363 1.00 62.56  ? 121 LEU C C   1 
ATOM   980  O O   . LEU C 1 9  ? 2.005   4.468   51.900 1.00 63.00  ? 121 LEU C O   1 
ATOM   981  C CB  . LEU C 1 9  ? 4.332   3.253   53.966 1.00 73.40  ? 121 LEU C CB  1 
ATOM   982  C CG  . LEU C 1 9  ? 4.665   2.877   55.414 1.00 75.57  ? 121 LEU C CG  1 
ATOM   983  C CD1 . LEU C 1 9  ? 5.469   1.614   55.502 1.00 80.08  ? 121 LEU C CD1 1 
ATOM   984  C CD2 . LEU C 1 9  ? 5.379   4.033   56.105 1.00 69.10  ? 121 LEU C CD2 1 
ATOM   985  N N   . GLU C 1 10 ? 4.082   5.294   51.645 1.00 57.35  ? 122 GLU C N   1 
ATOM   986  C CA  . GLU C 1 10 ? 3.957   5.672   50.252 1.00 61.30  ? 122 GLU C CA  1 
ATOM   987  C C   . GLU C 1 10 ? 4.273   4.498   49.324 1.00 61.09  ? 122 GLU C C   1 
ATOM   988  O O   . GLU C 1 10 ? 5.433   4.078   49.269 1.00 52.82  ? 122 GLU C O   1 
ATOM   989  C CB  . GLU C 1 10 ? 5.071   6.700   50.044 1.00 64.87  ? 122 GLU C CB  1 
ATOM   990  C CG  . GLU C 1 10 ? 4.808   7.699   48.932 1.00 67.77  ? 122 GLU C CG  1 
ATOM   991  C CD  . GLU C 1 10 ? 3.864   8.752   49.446 1.00 71.38  ? 122 GLU C CD  1 
ATOM   992  O OE1 . GLU C 1 10 ? 2.966   8.473   50.289 1.00 72.34  ? 122 GLU C OE1 1 
ATOM   993  O OE2 . GLU C 1 10 ? 4.098   9.883   48.999 1.00 80.47  ? 122 GLU C OE2 1 
ATOM   994  N N   . PRO C 1 11 ? 3.323   4.013   48.486 1.00 49.73  ? 123 PRO C N   1 
ATOM   995  C CA  . PRO C 1 11 ? 3.583   2.884   47.598 1.00 49.78  ? 123 PRO C CA  1 
ATOM   996  C C   . PRO C 1 11 ? 4.689   3.244   46.626 1.00 48.99  ? 123 PRO C C   1 
ATOM   997  O O   . PRO C 1 11 ? 4.652   4.324   46.072 1.00 61.39  ? 123 PRO C O   1 
ATOM   998  C CB  . PRO C 1 11 ? 2.254   2.609   46.882 1.00 46.59  ? 123 PRO C CB  1 
ATOM   999  C CG  . PRO C 1 11 ? 1.433   3.843   47.133 1.00 46.18  ? 123 PRO C CG  1 
ATOM   1000 C CD  . PRO C 1 11 ? 1.934   4.464   48.416 1.00 46.35  ? 123 PRO C CD  1 
ATOM   1001 N N   . GLU C 1 12 ? 5.684   2.359   46.435 1.00 44.67  ? 124 GLU C N   1 
ATOM   1002 C CA  . GLU C 1 12 ? 6.751   2.667   45.500 1.00 47.03  ? 124 GLU C CA  1 
ATOM   1003 C C   . GLU C 1 12 ? 6.654   1.819   44.226 1.00 49.11  ? 124 GLU C C   1 
ATOM   1004 O O   . GLU C 1 12 ? 6.722   2.356   43.124 1.00 45.19  ? 124 GLU C O   1 
ATOM   1005 C CB  . GLU C 1 12 ? 8.088   2.495   46.215 1.00 51.98  ? 124 GLU C CB  1 
ATOM   1006 C CG  . GLU C 1 12 ? 9.305   2.752   45.331 1.00 51.28  ? 124 GLU C CG  1 
ATOM   1007 C CD  . GLU C 1 12 ? 10.574  2.287   46.025 1.00 59.51  ? 124 GLU C CD  1 
ATOM   1008 O OE1 . GLU C 1 12 ? 10.762  2.582   47.234 1.00 57.26  ? 124 GLU C OE1 1 
ATOM   1009 O OE2 . GLU C 1 12 ? 11.361  1.581   45.362 1.00 62.95  ? 124 GLU C OE2 1 
ATOM   1010 N N   . LYS C 1 13 ? 6.604   0.481   44.362 1.00 44.13  ? 125 LYS C N   1 
ATOM   1011 C CA  A LYS C 1 13 ? 6.504   -0.389  43.197 0.50 37.89  ? 125 LYS C CA  1 
ATOM   1012 C CA  B LYS C 1 13 ? 6.486   -0.382  43.200 0.50 38.68  ? 125 LYS C CA  1 
ATOM   1013 C C   . LYS C 1 13 ? 5.861   -1.701  43.639 1.00 36.77  ? 125 LYS C C   1 
ATOM   1014 O O   . LYS C 1 13 ? 6.134   -2.172  44.747 1.00 37.85  ? 125 LYS C O   1 
ATOM   1015 C CB  A LYS C 1 13 ? 7.870   -0.526  42.502 0.50 40.10  ? 125 LYS C CB  1 
ATOM   1016 C CB  B LYS C 1 13 ? 7.831   -0.517  42.466 0.50 42.16  ? 125 LYS C CB  1 
ATOM   1017 C CG  A LYS C 1 13 ? 8.042   -1.628  41.423 0.50 40.02  ? 125 LYS C CG  1 
ATOM   1018 C CG  B LYS C 1 13 ? 8.950   -1.325  43.136 0.50 43.12  ? 125 LYS C CG  1 
ATOM   1019 C CD  A LYS C 1 13 ? 9.448   -1.887  40.891 0.50 35.88  ? 125 LYS C CD  1 
ATOM   1020 C CD  B LYS C 1 13 ? 10.047  -1.740  42.156 0.50 43.11  ? 125 LYS C CD  1 
ATOM   1021 C CE  A LYS C 1 13 ? 9.906   -3.336  40.904 0.50 37.03  ? 125 LYS C CE  1 
ATOM   1022 C CE  B LYS C 1 13 ? 10.577  -3.120  42.433 0.50 45.01  ? 125 LYS C CE  1 
ATOM   1023 N NZ  A LYS C 1 13 ? 9.089   -4.275  40.132 0.50 36.00  ? 125 LYS C NZ  1 
ATOM   1024 N NZ  B LYS C 1 13 ? 11.286  -3.154  43.712 0.50 43.68  ? 125 LYS C NZ  1 
ATOM   1025 N N   . ILE C 1 14 ? 5.043   -2.297  42.742 1.00 29.61  ? 126 ILE C N   1 
ATOM   1026 C CA  . ILE C 1 14 ? 4.543   -3.643  42.944 1.00 31.36  ? 126 ILE C CA  1 
ATOM   1027 C C   . ILE C 1 14 ? 5.584   -4.644  42.451 1.00 31.04  ? 126 ILE C C   1 
ATOM   1028 O O   . ILE C 1 14 ? 6.036   -4.531  41.328 1.00 28.22  ? 126 ILE C O   1 
ATOM   1029 C CB  . ILE C 1 14 ? 3.203   -3.834  42.231 1.00 29.01  ? 126 ILE C CB  1 
ATOM   1030 C CG1 . ILE C 1 14 ? 2.120   -2.910  42.818 1.00 30.63  ? 126 ILE C CG1 1 
ATOM   1031 C CG2 . ILE C 1 14 ? 2.808   -5.294  42.303 1.00 30.45  ? 126 ILE C CG2 1 
ATOM   1032 C CD1 . ILE C 1 14 ? 0.872   -2.788  41.981 1.00 29.51  ? 126 ILE C CD1 1 
ATOM   1033 N N   . ILE C 1 15 ? 5.982   -5.580  43.345 1.00 35.71  ? 127 ILE C N   1 
ATOM   1034 C CA  . ILE C 1 15 ? 7.068   -6.537  43.104 1.00 32.47  ? 127 ILE C CA  1 
ATOM   1035 C C   . ILE C 1 15 ? 6.493   -7.720  42.328 1.00 32.75  ? 127 ILE C C   1 
ATOM   1036 O O   . ILE C 1 15 ? 7.163   -8.348  41.511 1.00 29.63  ? 127 ILE C O   1 
ATOM   1037 C CB  . ILE C 1 15 ? 7.715   -6.946  44.458 1.00 41.47  ? 127 ILE C CB  1 
ATOM   1038 C CG1 . ILE C 1 15 ? 8.341   -5.735  45.153 1.00 38.30  ? 127 ILE C CG1 1 
ATOM   1039 C CG2 . ILE C 1 15 ? 8.770   -8.039  44.294 1.00 47.01  ? 127 ILE C CG2 1 
ATOM   1040 C CD1 . ILE C 1 15 ? 8.763   -5.939  46.592 1.00 39.43  ? 127 ILE C CD1 1 
ATOM   1041 N N   . GLY C 1 16 ? 5.214   -8.028  42.576 1.00 31.81  ? 128 GLY C N   1 
ATOM   1042 C CA  . GLY C 1 16 ? 4.556   -9.152  41.918 1.00 27.37  ? 128 GLY C CA  1 
ATOM   1043 C C   . GLY C 1 16 ? 3.122   -9.313  42.428 1.00 27.20  ? 128 GLY C C   1 
ATOM   1044 O O   . GLY C 1 16 ? 2.601   -8.519  43.243 1.00 24.00  ? 128 GLY C O   1 
ATOM   1045 N N   . ALA C 1 17 ? 2.489   -10.352 41.927 1.00 29.05  ? 129 ALA C N   1 
ATOM   1046 C CA  . ALA C 1 17 ? 1.059   -10.536 42.085 1.00 32.81  ? 129 ALA C CA  1 
ATOM   1047 C C   . ALA C 1 17 ? 0.749   -12.025 42.101 1.00 34.09  ? 129 ALA C C   1 
ATOM   1048 O O   . ALA C 1 17 ? 1.436   -12.806 41.457 1.00 26.10  ? 129 ALA C O   1 
ATOM   1049 C CB  . ALA C 1 17 ? 0.306   -9.837  40.955 1.00 34.93  ? 129 ALA C CB  1 
ATOM   1050 N N   . THR C 1 18 ? -0.284  -12.406 42.869 1.00 32.70  ? 130 THR C N   1 
ATOM   1051 C CA  . THR C 1 18 ? -0.641  -13.795 43.034 1.00 32.47  ? 130 THR C CA  1 
ATOM   1052 C C   . THR C 1 18 ? -2.105  -13.868 43.468 1.00 34.15  ? 130 THR C C   1 
ATOM   1053 O O   . THR C 1 18 ? -2.601  -12.925 44.061 1.00 39.81  ? 130 THR C O   1 
ATOM   1054 C CB  . THR C 1 18 ? 0.310   -14.419 44.065 1.00 31.43  ? 130 THR C CB  1 
ATOM   1055 O OG1 . THR C 1 18 ? -0.030  -15.787 44.098 1.00 30.35  ? 130 THR C OG1 1 
ATOM   1056 C CG2 . THR C 1 18 ? 0.174   -13.867 45.469 1.00 33.31  ? 130 THR C CG2 1 
ATOM   1057 N N   . ASP C 1 19 ? -2.758  -15.011 43.224 1.00 46.33  ? 131 ASP C N   1 
ATOM   1058 C CA  . ASP C 1 19 ? -4.044  -15.351 43.824 1.00 55.61  ? 131 ASP C CA  1 
ATOM   1059 C C   . ASP C 1 19 ? -3.883  -16.041 45.180 1.00 69.01  ? 131 ASP C C   1 
ATOM   1060 O O   . ASP C 1 19 ? -3.944  -17.260 45.313 1.00 67.73  ? 131 ASP C O   1 
ATOM   1061 C CB  . ASP C 1 19 ? -4.843  -16.240 42.912 1.00 54.57  ? 131 ASP C CB  1 
ATOM   1062 C CG  . ASP C 1 19 ? -5.495  -15.479 41.779 1.00 73.65  ? 131 ASP C CG  1 
ATOM   1063 O OD1 . ASP C 1 19 ? -6.338  -14.608 42.089 1.00 93.47  ? 131 ASP C OD1 1 
ATOM   1064 O OD2 . ASP C 1 19 ? -5.139  -15.752 40.613 1.00 81.29  ? 131 ASP C OD2 1 
ATOM   1065 N N   . SER C 1 20 ? -3.636  -15.206 46.192 1.00 88.41  ? 132 SER C N   1 
ATOM   1066 C CA  . SER C 1 20 ? -3.364  -15.666 47.549 1.00 101.82 ? 132 SER C CA  1 
ATOM   1067 C C   . SER C 1 20 ? -4.642  -15.648 48.389 1.00 99.96  ? 132 SER C C   1 
ATOM   1068 O O   . SER C 1 20 ? -5.323  -14.629 48.497 1.00 94.44  ? 132 SER C O   1 
ATOM   1069 C CB  . SER C 1 20 ? -2.266  -14.851 48.208 1.00 106.53 ? 132 SER C CB  1 
ATOM   1070 N N   . CYS C 1 21 ? -4.949  -16.804 48.991 1.00 100.71 ? 133 CYS C N   1 
ATOM   1071 C CA  . CYS C 1 21 ? -6.213  -17.052 49.676 1.00 104.40 ? 133 CYS C CA  1 
ATOM   1072 C C   . CYS C 1 21 ? -7.404  -16.841 48.738 1.00 96.42  ? 133 CYS C C   1 
ATOM   1073 O O   . CYS C 1 21 ? -8.501  -16.534 49.196 1.00 106.80 ? 133 CYS C O   1 
ATOM   1074 C CB  . CYS C 1 21 ? -6.356  -16.240 50.964 1.00 100.30 ? 133 CYS C CB  1 
ATOM   1075 N N   . GLY C 1 22 ? -7.203  -17.031 47.425 1.00 82.66  ? 134 GLY C N   1 
ATOM   1076 C CA  . GLY C 1 22 ? -8.294  -17.003 46.463 1.00 76.16  ? 134 GLY C CA  1 
ATOM   1077 C C   . GLY C 1 22 ? -8.625  -15.610 45.919 1.00 69.96  ? 134 GLY C C   1 
ATOM   1078 O O   . GLY C 1 22 ? -9.517  -15.513 45.084 1.00 61.16  ? 134 GLY C O   1 
ATOM   1079 N N   . ASP C 1 23 ? -7.917  -14.564 46.401 1.00 64.46  ? 135 ASP C N   1 
ATOM   1080 C CA  . ASP C 1 23 ? -8.089  -13.172 45.994 1.00 55.24  ? 135 ASP C CA  1 
ATOM   1081 C C   . ASP C 1 23 ? -6.815  -12.626 45.328 1.00 44.93  ? 135 ASP C C   1 
ATOM   1082 O O   . ASP C 1 23 ? -5.717  -12.978 45.733 1.00 40.28  ? 135 ASP C O   1 
ATOM   1083 C CB  . ASP C 1 23 ? -8.410  -12.293 47.198 1.00 57.39  ? 135 ASP C CB  1 
ATOM   1084 C CG  . ASP C 1 23 ? -9.889  -12.138 47.527 1.00 66.86  ? 135 ASP C CG  1 
ATOM   1085 O OD1 . ASP C 1 23 ? -10.726 -12.521 46.690 1.00 76.87  ? 135 ASP C OD1 1 
ATOM   1086 O OD2 . ASP C 1 23 ? -10.197 -11.625 48.617 1.00 66.98  ? 135 ASP C OD2 1 
ATOM   1087 N N   . LEU C 1 24 ? -6.951  -11.699 44.372 1.00 40.97  ? 136 LEU C N   1 
ATOM   1088 C CA  . LEU C 1 24 ? -5.796  -11.090 43.730 1.00 41.91  ? 136 LEU C CA  1 
ATOM   1089 C C   . LEU C 1 24 ? -5.084  -10.192 44.743 1.00 36.77  ? 136 LEU C C   1 
ATOM   1090 O O   . LEU C 1 24 ? -5.673  -9.268  45.314 1.00 29.82  ? 136 LEU C O   1 
ATOM   1091 C CB  . LEU C 1 24 ? -6.102  -10.341 42.436 1.00 42.16  ? 136 LEU C CB  1 
ATOM   1092 C CG  . LEU C 1 24 ? -4.863  -9.810  41.697 1.00 43.84  ? 136 LEU C CG  1 
ATOM   1093 C CD1 . LEU C 1 24 ? -4.018  -10.958 41.148 1.00 38.67  ? 136 LEU C CD1 1 
ATOM   1094 C CD2 . LEU C 1 24 ? -5.204  -8.769  40.614 1.00 44.12  ? 136 LEU C CD2 1 
ATOM   1095 N N   . MET C 1 25 ? -3.787  -10.499 44.960 1.00 37.59  ? 137 MET C N   1 
ATOM   1096 C CA  . MET C 1 25 ? -2.971  -9.753  45.897 1.00 36.87  ? 137 MET C CA  1 
ATOM   1097 C C   . MET C 1 25 ? -1.725  -9.282  45.165 1.00 31.95  ? 137 MET C C   1 
ATOM   1098 O O   . MET C 1 25 ? -1.281  -9.969  44.248 1.00 35.47  ? 137 MET C O   1 
ATOM   1099 C CB  . MET C 1 25 ? -2.542  -10.678 47.036 1.00 40.09  ? 137 MET C CB  1 
ATOM   1100 C CG  . MET C 1 25 ? -3.727  -11.177 47.869 1.00 53.62  ? 137 MET C CG  1 
ATOM   1101 S SD  . MET C 1 25 ? -3.913  -10.286 49.432 1.00 58.64  ? 137 MET C SD  1 
ATOM   1102 C CE  . MET C 1 25 ? -5.247  -11.247 50.158 1.00 76.39  ? 137 MET C CE  1 
ATOM   1103 N N   . PHE C 1 26 ? -1.186  -8.152  45.624 1.00 27.60  ? 138 PHE C N   1 
ATOM   1104 C CA  . PHE C 1 26 ? 0.056   -7.596  45.165 1.00 28.83  ? 138 PHE C CA  1 
ATOM   1105 C C   . PHE C 1 26 ? 1.067   -7.600  46.307 1.00 33.78  ? 138 PHE C C   1 
ATOM   1106 O O   . PHE C 1 26 ? 0.727   -7.281  47.448 1.00 31.26  ? 138 PHE C O   1 
ATOM   1107 C CB  . PHE C 1 26 ? -0.098  -6.142  44.714 1.00 28.83  ? 138 PHE C CB  1 
ATOM   1108 C CG  . PHE C 1 26 ? -0.917  -5.925  43.458 1.00 29.69  ? 138 PHE C CG  1 
ATOM   1109 C CD1 . PHE C 1 26 ? -0.601  -6.601  42.286 1.00 29.82  ? 138 PHE C CD1 1 
ATOM   1110 C CD2 . PHE C 1 26 ? -1.971  -5.011  43.437 1.00 31.73  ? 138 PHE C CD2 1 
ATOM   1111 C CE1 . PHE C 1 26 ? -1.318  -6.393  41.112 1.00 31.47  ? 138 PHE C CE1 1 
ATOM   1112 C CE2 . PHE C 1 26 ? -2.694  -4.791  42.261 1.00 31.81  ? 138 PHE C CE2 1 
ATOM   1113 C CZ  . PHE C 1 26 ? -2.404  -5.525  41.117 1.00 32.13  ? 138 PHE C CZ  1 
ATOM   1114 N N   . LEU C 1 27 ? 2.326   -7.878  45.959 1.00 29.98  ? 139 LEU C N   1 
ATOM   1115 C CA  . LEU C 1 27 ? 3.427   -7.652  46.858 1.00 28.93  ? 139 LEU C CA  1 
ATOM   1116 C C   . LEU C 1 27 ? 3.966   -6.249  46.612 1.00 30.97  ? 139 LEU C C   1 
ATOM   1117 O O   . LEU C 1 27 ? 4.564   -5.959  45.565 1.00 32.91  ? 139 LEU C O   1 
ATOM   1118 C CB  . LEU C 1 27 ? 4.497   -8.734  46.686 1.00 31.92  ? 139 LEU C CB  1 
ATOM   1119 C CG  . LEU C 1 27 ? 5.697   -8.650  47.643 1.00 33.84  ? 139 LEU C CG  1 
ATOM   1120 C CD1 . LEU C 1 27 ? 5.270   -8.767  49.127 1.00 30.07  ? 139 LEU C CD1 1 
ATOM   1121 C CD2 . LEU C 1 27 ? 6.735   -9.712  47.275 1.00 35.47  ? 139 LEU C CD2 1 
ATOM   1122 N N   . MET C 1 28 ? 3.784   -5.394  47.627 1.00 36.47  ? 140 MET C N   1 
ATOM   1123 C CA  . MET C 1 28 ? 4.072   -3.976  47.523 1.00 35.73  ? 140 MET C CA  1 
ATOM   1124 C C   . MET C 1 28 ? 5.398   -3.637  48.182 1.00 36.91  ? 140 MET C C   1 
ATOM   1125 O O   . MET C 1 28 ? 5.618   -3.972  49.347 1.00 36.20  ? 140 MET C O   1 
ATOM   1126 C CB  . MET C 1 28 ? 2.994   -3.158  48.246 1.00 40.67  ? 140 MET C CB  1 
ATOM   1127 C CG  . MET C 1 28 ? 3.155   -1.657  48.059 1.00 42.98  ? 140 MET C CG  1 
ATOM   1128 S SD  . MET C 1 28 ? 2.914   -1.107  46.352 1.00 39.51  ? 140 MET C SD  1 
ATOM   1129 C CE  . MET C 1 28 ? 1.156   -1.471  46.201 1.00 40.70  ? 140 MET C CE  1 
ATOM   1130 N N   . LYS C 1 29 ? 6.250   -2.948  47.424 1.00 36.21  ? 141 LYS C N   1 
ATOM   1131 C CA  . LYS C 1 29 ? 7.404   -2.271  47.970 1.00 39.99  ? 141 LYS C CA  1 
ATOM   1132 C C   . LYS C 1 29 ? 6.975   -0.841  48.308 1.00 51.36  ? 141 LYS C C   1 
ATOM   1133 O O   . LYS C 1 29 ? 6.514   -0.113  47.420 1.00 45.87  ? 141 LYS C O   1 
ATOM   1134 C CB  . LYS C 1 29 ? 8.509   -2.242  46.912 1.00 44.31  ? 141 LYS C CB  1 
ATOM   1135 C CG  . LYS C 1 29 ? 9.745   -1.398  47.202 1.00 50.25  ? 141 LYS C CG  1 
ATOM   1136 C CD  . LYS C 1 29 ? 10.508  -1.833  48.443 1.00 55.52  ? 141 LYS C CD  1 
ATOM   1137 C CE  . LYS C 1 29 ? 11.836  -1.158  48.594 1.00 57.16  ? 141 LYS C CE  1 
ATOM   1138 N NZ  . LYS C 1 29 ? 11.696  0.233   49.005 1.00 68.97  ? 141 LYS C NZ  1 
ATOM   1139 N N   . TRP C 1 30 ? 7.178   -0.445  49.571 1.00 51.94  ? 142 TRP C N   1 
ATOM   1140 C CA  . TRP C 1 30 ? 6.847   0.889   50.044 1.00 48.81  ? 142 TRP C CA  1 
ATOM   1141 C C   . TRP C 1 30 ? 8.110   1.739   50.060 1.00 55.88  ? 142 TRP C C   1 
ATOM   1142 O O   . TRP C 1 30 ? 9.201   1.192   50.235 1.00 51.12  ? 142 TRP C O   1 
ATOM   1143 C CB  . TRP C 1 30 ? 6.272   0.820   51.460 1.00 41.75  ? 142 TRP C CB  1 
ATOM   1144 C CG  . TRP C 1 30 ? 5.114   -0.105  51.641 1.00 38.15  ? 142 TRP C CG  1 
ATOM   1145 C CD1 . TRP C 1 30 ? 5.130   -1.339  52.198 1.00 45.56  ? 142 TRP C CD1 1 
ATOM   1146 C CD2 . TRP C 1 30 ? 3.743   0.173   51.311 1.00 38.13  ? 142 TRP C CD2 1 
ATOM   1147 N NE1 . TRP C 1 30 ? 3.863   -1.860  52.228 1.00 46.68  ? 142 TRP C NE1 1 
ATOM   1148 C CE2 . TRP C 1 30 ? 2.993   -0.958  51.679 1.00 34.96  ? 142 TRP C CE2 1 
ATOM   1149 C CE3 . TRP C 1 30 ? 3.084   1.263   50.733 1.00 37.63  ? 142 TRP C CE3 1 
ATOM   1150 C CZ2 . TRP C 1 30 ? 1.622   -1.036  51.486 1.00 40.32  ? 142 TRP C CZ2 1 
ATOM   1151 C CZ3 . TRP C 1 30 ? 1.727   1.189   50.551 1.00 31.35  ? 142 TRP C CZ3 1 
ATOM   1152 C CH2 . TRP C 1 30 ? 1.013   0.063   50.913 1.00 36.85  ? 142 TRP C CH2 1 
ATOM   1153 N N   . LYS C 1 31 ? 7.910   3.068   50.008 1.00 67.53  ? 143 LYS C N   1 
ATOM   1154 C CA  . LYS C 1 31 ? 8.939   4.098   49.914 1.00 72.25  ? 143 LYS C CA  1 
ATOM   1155 C C   . LYS C 1 31 ? 10.171  3.885   50.802 1.00 66.73  ? 143 LYS C C   1 
ATOM   1156 O O   . LYS C 1 31 ? 11.278  3.777   50.269 1.00 69.96  ? 143 LYS C O   1 
ATOM   1157 C CB  . LYS C 1 31 ? 8.377   5.490   50.240 1.00 67.20  ? 143 LYS C CB  1 
ATOM   1158 N N   . ASP C 1 32 ? 10.052  3.982   52.125 1.00 63.22  ? 144 ASP C N   1 
ATOM   1159 C CA  . ASP C 1 32 ? 11.280  3.971   52.908 1.00 70.98  ? 144 ASP C CA  1 
ATOM   1160 C C   . ASP C 1 32 ? 11.320  2.739   53.785 1.00 69.46  ? 144 ASP C C   1 
ATOM   1161 O O   . ASP C 1 32 ? 11.555  2.843   54.983 1.00 69.19  ? 144 ASP C O   1 
ATOM   1162 C CB  . ASP C 1 32 ? 11.544  5.292   53.606 1.00 83.92  ? 144 ASP C CB  1 
ATOM   1163 C CG  . ASP C 1 32 ? 12.131  6.358   52.687 1.00 88.74  ? 144 ASP C CG  1 
ATOM   1164 O OD1 . ASP C 1 32 ? 13.138  6.040   52.009 1.00 85.80  ? 144 ASP C OD1 1 
ATOM   1165 O OD2 . ASP C 1 32 ? 11.560  7.472   52.632 1.00 87.03  ? 144 ASP C OD2 1 
ATOM   1166 N N   . THR C 1 33 ? 11.156  1.592   53.132 1.00 64.75  ? 145 THR C N   1 
ATOM   1167 C CA  . THR C 1 33 ? 11.243  0.330   53.838 1.00 65.10  ? 145 THR C CA  1 
ATOM   1168 C C   . THR C 1 33 ? 11.552  -0.761  52.826 1.00 65.36  ? 145 THR C C   1 
ATOM   1169 O O   . THR C 1 33 ? 11.095  -0.723  51.688 1.00 56.90  ? 145 THR C O   1 
ATOM   1170 C CB  . THR C 1 33 ? 9.929   0.121   54.579 1.00 72.01  ? 145 THR C CB  1 
ATOM   1171 O OG1 . THR C 1 33 ? 10.038  -1.052  55.369 1.00 81.50  ? 145 THR C OG1 1 
ATOM   1172 C CG2 . THR C 1 33 ? 8.744   0.072   53.636 1.00 88.11  ? 145 THR C CG2 1 
ATOM   1173 N N   . ASP C 1 34 ? 12.348  -1.729  53.271 1.00 57.43  ? 146 ASP C N   1 
ATOM   1174 C CA  . ASP C 1 34 ? 12.586  -2.944  52.507 1.00 53.55  ? 146 ASP C CA  1 
ATOM   1175 C C   . ASP C 1 34 ? 11.763  -4.082  53.096 1.00 45.98  ? 146 ASP C C   1 
ATOM   1176 O O   . ASP C 1 34 ? 12.032  -5.235  52.820 1.00 58.82  ? 146 ASP C O   1 
ATOM   1177 C CB  . ASP C 1 34 ? 14.063  -3.289  52.397 1.00 59.26  ? 146 ASP C CB  1 
ATOM   1178 C CG  . ASP C 1 34 ? 14.899  -3.022  53.636 1.00 63.39  ? 146 ASP C CG  1 
ATOM   1179 O OD1 . ASP C 1 34 ? 14.497  -3.496  54.719 1.00 60.63  ? 146 ASP C OD1 1 
ATOM   1180 O OD2 . ASP C 1 34 ? 15.910  -2.307  53.510 1.00 74.47  ? 146 ASP C OD2 1 
ATOM   1181 N N   . GLU C 1 35 ? 10.781  -3.761  53.930 1.00 42.08  ? 147 GLU C N   1 
ATOM   1182 C CA  . GLU C 1 35 ? 9.709   -4.674  54.295 1.00 49.83  ? 147 GLU C CA  1 
ATOM   1183 C C   . GLU C 1 35 ? 8.537   -4.494  53.330 1.00 43.66  ? 147 GLU C C   1 
ATOM   1184 O O   . GLU C 1 35 ? 7.859   -3.475  53.324 1.00 51.32  ? 147 GLU C O   1 
ATOM   1185 C CB  . GLU C 1 35 ? 9.219   -4.422  55.717 1.00 55.46  ? 147 GLU C CB  1 
ATOM   1186 C CG  . GLU C 1 35 ? 10.241  -4.715  56.806 1.00 65.80  ? 147 GLU C CG  1 
ATOM   1187 C CD  . GLU C 1 35 ? 9.751   -4.299  58.184 1.00 80.40  ? 147 GLU C CD  1 
ATOM   1188 O OE1 . GLU C 1 35 ? 8.591   -4.640  58.554 1.00 78.04  ? 147 GLU C OE1 1 
ATOM   1189 O OE2 . GLU C 1 35 ? 10.548  -3.648  58.910 1.00 82.29  ? 147 GLU C OE2 1 
ATOM   1190 N N   . ALA C 1 36 ? 8.345   -5.499  52.481 1.00 42.91  ? 148 ALA C N   1 
ATOM   1191 C CA  . ALA C 1 36 ? 7.253   -5.555  51.533 1.00 39.27  ? 148 ALA C CA  1 
ATOM   1192 C C   . ALA C 1 36 ? 6.066   -6.202  52.218 1.00 36.87  ? 148 ALA C C   1 
ATOM   1193 O O   . ALA C 1 36 ? 6.263   -7.047  53.080 1.00 33.61  ? 148 ALA C O   1 
ATOM   1194 C CB  . ALA C 1 36 ? 7.688   -6.345  50.309 1.00 38.16  ? 148 ALA C CB  1 
ATOM   1195 N N   . ASP C 1 37 ? 4.849   -5.860  51.758 1.00 36.61  ? 149 ASP C N   1 
ATOM   1196 C CA  . ASP C 1 37 ? 3.609   -6.415  52.288 1.00 37.66  ? 149 ASP C CA  1 
ATOM   1197 C C   . ASP C 1 37 ? 2.704   -6.901  51.175 1.00 33.06  ? 149 ASP C C   1 
ATOM   1198 O O   . ASP C 1 37 ? 2.709   -6.322  50.100 1.00 33.49  ? 149 ASP C O   1 
ATOM   1199 C CB  . ASP C 1 37 ? 2.738   -5.359  52.973 1.00 45.01  ? 149 ASP C CB  1 
ATOM   1200 C CG  . ASP C 1 37 ? 3.253   -4.840  54.304 1.00 49.80  ? 149 ASP C CG  1 
ATOM   1201 O OD1 . ASP C 1 37 ? 3.369   -5.646  55.233 1.00 55.24  ? 149 ASP C OD1 1 
ATOM   1202 O OD2 . ASP C 1 37 ? 3.602   -3.647  54.371 1.00 56.92  ? 149 ASP C OD2 1 
ATOM   1203 N N   . LEU C 1 38 ? 1.824   -7.856  51.493 1.00 36.19  ? 150 LEU C N   1 
ATOM   1204 C CA  . LEU C 1 38 ? 0.725   -8.219  50.603 1.00 43.53  ? 150 LEU C CA  1 
ATOM   1205 C C   . LEU C 1 38 ? -0.482  -7.294  50.807 1.00 48.48  ? 150 LEU C C   1 
ATOM   1206 O O   . LEU C 1 38 ? -0.968  -7.129  51.926 1.00 49.79  ? 150 LEU C O   1 
ATOM   1207 C CB  . LEU C 1 38 ? 0.342   -9.675  50.848 1.00 40.90  ? 150 LEU C CB  1 
ATOM   1208 C CG  . LEU C 1 38 ? 1.344   -10.705 50.340 1.00 44.21  ? 150 LEU C CG  1 
ATOM   1209 C CD1 . LEU C 1 38 ? 1.270   -11.946 51.207 1.00 52.64  ? 150 LEU C CD1 1 
ATOM   1210 C CD2 . LEU C 1 38 ? 1.055   -10.972 48.856 1.00 39.47  ? 150 LEU C CD2 1 
ATOM   1211 N N   . VAL C 1 39 ? -0.998  -6.721  49.710 1.00 41.01  ? 151 VAL C N   1 
ATOM   1212 C CA  . VAL C 1 39 ? -2.191  -5.896  49.767 1.00 37.87  ? 151 VAL C CA  1 
ATOM   1213 C C   . VAL C 1 39 ? -3.152  -6.443  48.716 1.00 39.53  ? 151 VAL C C   1 
ATOM   1214 O O   . VAL C 1 39 ? -2.744  -7.062  47.734 1.00 35.59  ? 151 VAL C O   1 
ATOM   1215 C CB  . VAL C 1 39 ? -1.875  -4.409  49.561 1.00 39.97  ? 151 VAL C CB  1 
ATOM   1216 C CG1 . VAL C 1 39 ? -0.888  -3.886  50.604 1.00 40.20  ? 151 VAL C CG1 1 
ATOM   1217 C CG2 . VAL C 1 39 ? -1.309  -4.151  48.179 1.00 38.00  ? 151 VAL C CG2 1 
ATOM   1218 N N   . LEU C 1 40 ? -4.451  -6.316  48.991 1.00 38.62  ? 152 LEU C N   1 
ATOM   1219 C CA  . LEU C 1 40 ? -5.476  -6.648  48.021 1.00 37.71  ? 152 LEU C CA  1 
ATOM   1220 C C   . LEU C 1 40 ? -5.322  -5.756  46.793 1.00 34.66  ? 152 LEU C C   1 
ATOM   1221 O O   . LEU C 1 40 ? -5.105  -4.538  46.903 1.00 38.62  ? 152 LEU C O   1 
ATOM   1222 C CB  . LEU C 1 40 ? -6.869  -6.479  48.622 1.00 46.54  ? 152 LEU C CB  1 
ATOM   1223 C CG  . LEU C 1 40 ? -7.361  -7.629  49.508 1.00 50.07  ? 152 LEU C CG  1 
ATOM   1224 C CD1 . LEU C 1 40 ? -8.542  -7.137  50.367 1.00 57.25  ? 152 LEU C CD1 1 
ATOM   1225 C CD2 . LEU C 1 40 ? -7.760  -8.846  48.693 1.00 40.29  ? 152 LEU C CD2 1 
ATOM   1226 N N   . ALA C 1 41 ? -5.466  -6.380  45.619 1.00 35.47  ? 153 ALA C N   1 
ATOM   1227 C CA  . ALA C 1 41 ? -5.434  -5.642  44.374 1.00 31.20  ? 153 ALA C CA  1 
ATOM   1228 C C   . ALA C 1 41 ? -6.482  -4.523  44.391 1.00 35.07  ? 153 ALA C C   1 
ATOM   1229 O O   . ALA C 1 41 ? -6.205  -3.364  44.046 1.00 30.93  ? 153 ALA C O   1 
ATOM   1230 C CB  . ALA C 1 41 ? -5.616  -6.603  43.234 1.00 33.29  ? 153 ALA C CB  1 
ATOM   1231 N N   . LYS C 1 42 ? -7.671  -4.864  44.913 1.00 38.73  ? 154 LYS C N   1 
ATOM   1232 C CA  . LYS C 1 42 ? -8.774  -3.927  45.063 1.00 40.51  ? 154 LYS C CA  1 
ATOM   1233 C C   . LYS C 1 42 ? -8.335  -2.638  45.752 1.00 40.56  ? 154 LYS C C   1 
ATOM   1234 O O   . LYS C 1 42 ? -8.690  -1.542  45.314 1.00 47.81  ? 154 LYS C O   1 
ATOM   1235 C CB  . LYS C 1 42 ? -9.892  -4.613  45.851 1.00 49.67  ? 154 LYS C CB  1 
ATOM   1236 C CG  . LYS C 1 42 ? -11.064 -3.707  46.120 1.00 59.82  ? 154 LYS C CG  1 
ATOM   1237 C CD  . LYS C 1 42 ? -12.424 -4.399  46.174 1.00 66.78  ? 154 LYS C CD  1 
ATOM   1238 C CE  . LYS C 1 42 ? -13.508 -3.387  45.846 1.00 84.45  ? 154 LYS C CE  1 
ATOM   1239 N NZ  . LYS C 1 42 ? -14.852 -3.739  46.318 1.00 95.00  ? 154 LYS C NZ  1 
ATOM   1240 N N   . GLU C 1 43 ? -7.536  -2.742  46.808 1.00 41.17  ? 155 GLU C N   1 
ATOM   1241 C CA  . GLU C 1 43 ? -7.133  -1.555  47.549 1.00 42.62  ? 155 GLU C CA  1 
ATOM   1242 C C   . GLU C 1 43 ? -6.097  -0.784  46.752 1.00 41.89  ? 155 GLU C C   1 
ATOM   1243 O O   . GLU C 1 43 ? -6.141  0.441   46.715 1.00 46.25  ? 155 GLU C O   1 
ATOM   1244 C CB  . GLU C 1 43 ? -6.512  -1.816  48.926 1.00 48.56  ? 155 GLU C CB  1 
ATOM   1245 C CG  . GLU C 1 43 ? -7.508  -2.030  50.060 1.00 57.22  ? 155 GLU C CG  1 
ATOM   1246 C CD  . GLU C 1 43 ? -6.899  -2.336  51.419 1.00 55.92  ? 155 GLU C CD  1 
ATOM   1247 O OE1 . GLU C 1 43 ? -5.684  -2.162  51.566 1.00 48.97  ? 155 GLU C OE1 1 
ATOM   1248 O OE2 . GLU C 1 43 ? -7.644  -2.809  52.306 1.00 73.28  ? 155 GLU C OE2 1 
ATOM   1249 N N   . ALA C 1 44 ? -5.137  -1.491  46.148 1.00 40.35  ? 156 ALA C N   1 
ATOM   1250 C CA  . ALA C 1 44 ? -4.136  -0.846  45.317 1.00 35.51  ? 156 ALA C CA  1 
ATOM   1251 C C   . ALA C 1 44 ? -4.787  -0.154  44.116 1.00 26.09  ? 156 ALA C C   1 
ATOM   1252 O O   . ALA C 1 44 ? -4.412  0.948   43.741 1.00 31.95  ? 156 ALA C O   1 
ATOM   1253 C CB  . ALA C 1 44 ? -3.090  -1.836  44.858 1.00 32.74  ? 156 ALA C CB  1 
ATOM   1254 N N   . ASN C 1 45 ? -5.775  -0.796  43.517 1.00 28.87  ? 157 ASN C N   1 
ATOM   1255 C CA  . ASN C 1 45 ? -6.414  -0.218  42.343 1.00 31.58  ? 157 ASN C CA  1 
ATOM   1256 C C   . ASN C 1 45 ? -6.918  1.190   42.674 1.00 38.77  ? 157 ASN C C   1 
ATOM   1257 O O   . ASN C 1 45 ? -6.755  2.133   41.880 1.00 33.37  ? 157 ASN C O   1 
ATOM   1258 C CB  . ASN C 1 45 ? -7.562  -1.092  41.883 1.00 32.22  ? 157 ASN C CB  1 
ATOM   1259 C CG  . ASN C 1 45 ? -7.105  -2.398  41.295 1.00 28.58  ? 157 ASN C CG  1 
ATOM   1260 O OD1 . ASN C 1 45 ? -5.922  -2.619  41.016 1.00 30.91  ? 157 ASN C OD1 1 
ATOM   1261 N ND2 . ASN C 1 45 ? -8.055  -3.266  41.028 1.00 29.85  ? 157 ASN C ND2 1 
ATOM   1262 N N   . VAL C 1 46 ? -7.476  1.337   43.886 1.00 33.82  ? 158 VAL C N   1 
ATOM   1263 C CA  . VAL C 1 46 ? -8.178  2.548   44.276 1.00 39.62  ? 158 VAL C CA  1 
ATOM   1264 C C   . VAL C 1 46 ? -7.180  3.583   44.771 1.00 39.38  ? 158 VAL C C   1 
ATOM   1265 O O   . VAL C 1 46 ? -7.334  4.773   44.508 1.00 39.06  ? 158 VAL C O   1 
ATOM   1266 C CB  . VAL C 1 46 ? -9.225  2.198   45.357 1.00 45.36  ? 158 VAL C CB  1 
ATOM   1267 C CG1 . VAL C 1 46 ? -9.855  3.404   46.063 1.00 54.58  ? 158 VAL C CG1 1 
ATOM   1268 C CG2 . VAL C 1 46 ? -10.306 1.283   44.775 1.00 51.03  ? 158 VAL C CG2 1 
ATOM   1269 N N   . LYS C 1 47 ? -6.166  3.162   45.533 1.00 38.79  ? 159 LYS C N   1 
ATOM   1270 C CA  . LYS C 1 47 ? -5.373  4.149   46.243 1.00 37.71  ? 159 LYS C CA  1 
ATOM   1271 C C   . LYS C 1 47 ? -4.127  4.532   45.475 1.00 36.06  ? 159 LYS C C   1 
ATOM   1272 O O   . LYS C 1 47 ? -3.569  5.591   45.758 1.00 43.43  ? 159 LYS C O   1 
ATOM   1273 C CB  . LYS C 1 47 ? -4.958  3.628   47.619 1.00 43.46  ? 159 LYS C CB  1 
ATOM   1274 C CG  . LYS C 1 47 ? -6.114  3.449   48.587 1.00 46.41  ? 159 LYS C CG  1 
ATOM   1275 C CD  . LYS C 1 47 ? -5.758  2.480   49.705 1.00 45.42  ? 159 LYS C CD  1 
ATOM   1276 C CE  . LYS C 1 47 ? -6.707  2.499   50.826 1.00 45.91  ? 159 LYS C CE  1 
ATOM   1277 N NZ  . LYS C 1 47 ? -6.010  2.003   52.013 1.00 51.55  ? 159 LYS C NZ  1 
ATOM   1278 N N   . CYS C 1 48 ? -3.607  3.640   44.615 1.00 34.95  ? 160 CYS C N   1 
ATOM   1279 C CA  . CYS C 1 48 ? -2.407  3.961   43.849 1.00 31.44  ? 160 CYS C CA  1 
ATOM   1280 C C   . CYS C 1 48 ? -2.561  3.393   42.442 1.00 32.44  ? 160 CYS C C   1 
ATOM   1281 O O   . CYS C 1 48 ? -1.773  2.553   42.021 1.00 33.00  ? 160 CYS C O   1 
ATOM   1282 C CB  . CYS C 1 48 ? -1.146  3.522   44.587 1.00 31.66  ? 160 CYS C CB  1 
ATOM   1283 S SG  . CYS C 1 48 ? -1.095  1.755   45.002 1.00 38.82  ? 160 CYS C SG  1 
ATOM   1284 N N   . PRO C 1 49 ? -3.600  3.808   41.682 1.00 33.37  ? 161 PRO C N   1 
ATOM   1285 C CA  . PRO C 1 49 ? -3.879  3.216   40.371 1.00 32.97  ? 161 PRO C CA  1 
ATOM   1286 C C   . PRO C 1 49 ? -2.732  3.297   39.368 1.00 30.09  ? 161 PRO C C   1 
ATOM   1287 O O   . PRO C 1 49 ? -2.571  2.388   38.540 1.00 35.41  ? 161 PRO C O   1 
ATOM   1288 C CB  . PRO C 1 49 ? -5.129  3.993   39.875 1.00 34.85  ? 161 PRO C CB  1 
ATOM   1289 C CG  . PRO C 1 49 ? -5.120  5.268   40.672 1.00 33.35  ? 161 PRO C CG  1 
ATOM   1290 C CD  . PRO C 1 49 ? -4.594  4.831   42.045 1.00 36.09  ? 161 PRO C CD  1 
ATOM   1291 N N   . GLN C 1 50 ? -1.965  4.402   39.388 1.00 28.49  ? 162 GLN C N   1 
ATOM   1292 C CA  . GLN C 1 50 ? -0.855  4.568   38.465 1.00 32.75  ? 162 GLN C CA  1 
ATOM   1293 C C   . GLN C 1 50 ? 0.280   3.589   38.785 1.00 33.58  ? 162 GLN C C   1 
ATOM   1294 O O   . GLN C 1 50 ? 1.035   3.217   37.894 1.00 26.76  ? 162 GLN C O   1 
ATOM   1295 C CB  . GLN C 1 50 ? -0.372  6.020   38.419 1.00 33.66  ? 162 GLN C CB  1 
ATOM   1296 C CG  . GLN C 1 50 ? -1.395  7.038   37.891 1.00 34.66  ? 162 GLN C CG  1 
ATOM   1297 C CD  . GLN C 1 50 ? -2.205  6.619   36.675 1.00 33.28  ? 162 GLN C CD  1 
ATOM   1298 O OE1 . GLN C 1 50 ? -3.444  6.728   36.597 1.00 35.16  ? 162 GLN C OE1 1 
ATOM   1299 N NE2 . GLN C 1 50 ? -1.491  6.117   35.696 1.00 29.85  ? 162 GLN C NE2 1 
ATOM   1300 N N   . ILE C 1 51 ? 0.426   3.186   40.060 1.00 33.53  ? 163 ILE C N   1 
ATOM   1301 C CA  . ILE C 1 51 ? 1.437   2.207   40.439 1.00 34.40  ? 163 ILE C CA  1 
ATOM   1302 C C   . ILE C 1 51 ? 1.041   0.830   39.894 1.00 31.52  ? 163 ILE C C   1 
ATOM   1303 O O   . ILE C 1 51 ? 1.875   0.054   39.396 1.00 37.27  ? 163 ILE C O   1 
ATOM   1304 C CB  . ILE C 1 51 ? 1.581   2.132   41.979 1.00 38.83  ? 163 ILE C CB  1 
ATOM   1305 C CG1 . ILE C 1 51 ? 1.902   3.487   42.657 1.00 40.51  ? 163 ILE C CG1 1 
ATOM   1306 C CG2 . ILE C 1 51 ? 2.544   1.013   42.388 1.00 38.20  ? 163 ILE C CG2 1 
ATOM   1307 C CD1 . ILE C 1 51 ? 3.358   3.828   42.884 1.00 40.87  ? 163 ILE C CD1 1 
ATOM   1308 N N   . VAL C 1 52 ? -0.260  0.527   39.972 1.00 26.25  ? 164 VAL C N   1 
ATOM   1309 C CA  . VAL C 1 52 ? -0.795  -0.710  39.449 1.00 25.28  ? 164 VAL C CA  1 
ATOM   1310 C C   . VAL C 1 52 ? -0.544  -0.762  37.942 1.00 25.64  ? 164 VAL C C   1 
ATOM   1311 O O   . VAL C 1 52 ? -0.089  -1.773  37.449 1.00 27.47  ? 164 VAL C O   1 
ATOM   1312 C CB  . VAL C 1 52 ? -2.282  -0.854  39.796 1.00 24.91  ? 164 VAL C CB  1 
ATOM   1313 C CG1 . VAL C 1 52 ? -2.923  -2.024  39.094 1.00 28.46  ? 164 VAL C CG1 1 
ATOM   1314 C CG2 . VAL C 1 52 ? -2.511  -0.983  41.309 1.00 24.74  ? 164 VAL C CG2 1 
ATOM   1315 N N   . ILE C 1 53 ? -0.839  0.330   37.228 1.00 22.47  ? 165 ILE C N   1 
ATOM   1316 C CA  . ILE C 1 53 ? -0.715  0.379   35.780 1.00 23.44  ? 165 ILE C CA  1 
ATOM   1317 C C   . ILE C 1 53 ? 0.741   0.189   35.370 1.00 24.92  ? 165 ILE C C   1 
ATOM   1318 O O   . ILE C 1 53 ? 1.012   -0.564  34.429 1.00 23.45  ? 165 ILE C O   1 
ATOM   1319 C CB  . ILE C 1 53 ? -1.347  1.660   35.223 1.00 24.06  ? 165 ILE C CB  1 
ATOM   1320 C CG1 . ILE C 1 53 ? -2.878  1.600   35.355 1.00 26.44  ? 165 ILE C CG1 1 
ATOM   1321 C CG2 . ILE C 1 53 ? -0.927  1.932   33.780 1.00 26.46  ? 165 ILE C CG2 1 
ATOM   1322 C CD1 . ILE C 1 53 ? -3.583  2.937   35.074 1.00 28.66  ? 165 ILE C CD1 1 
ATOM   1323 N N   . ALA C 1 54 ? 1.667   0.842   36.088 1.00 27.56  ? 166 ALA C N   1 
ATOM   1324 C CA  . ALA C 1 54 ? 3.085   0.683   35.787 1.00 32.41  ? 166 ALA C CA  1 
ATOM   1325 C C   . ALA C 1 54 ? 3.482   -0.797  35.862 1.00 32.49  ? 166 ALA C C   1 
ATOM   1326 O O   . ALA C 1 54 ? 4.198   -1.300  34.996 1.00 41.03  ? 166 ALA C O   1 
ATOM   1327 C CB  . ALA C 1 54 ? 3.923   1.548   36.738 1.00 31.82  ? 166 ALA C CB  1 
ATOM   1328 N N   . PHE C 1 55 ? 2.988   -1.501  36.896 1.00 34.32  ? 167 PHE C N   1 
ATOM   1329 C CA  . PHE C 1 55 ? 3.266   -2.918  37.037 1.00 31.33  ? 167 PHE C CA  1 
ATOM   1330 C C   . PHE C 1 55 ? 2.749   -3.683  35.826 1.00 30.74  ? 167 PHE C C   1 
ATOM   1331 O O   . PHE C 1 55 ? 3.450   -4.537  35.279 1.00 32.62  ? 167 PHE C O   1 
ATOM   1332 C CB  . PHE C 1 55 ? 2.604   -3.488  38.286 1.00 31.77  ? 167 PHE C CB  1 
ATOM   1333 C CG  . PHE C 1 55 ? 2.654   -5.005  38.378 1.00 29.08  ? 167 PHE C CG  1 
ATOM   1334 C CD1 . PHE C 1 55 ? 3.851   -5.647  38.689 1.00 31.11  ? 167 PHE C CD1 1 
ATOM   1335 C CD2 . PHE C 1 55 ? 1.507   -5.766  38.234 1.00 25.99  ? 167 PHE C CD2 1 
ATOM   1336 C CE1 . PHE C 1 55 ? 3.916   -7.036  38.817 1.00 30.50  ? 167 PHE C CE1 1 
ATOM   1337 C CE2 . PHE C 1 55 ? 1.561   -7.140  38.412 1.00 28.04  ? 167 PHE C CE2 1 
ATOM   1338 C CZ  . PHE C 1 55 ? 2.768   -7.780  38.675 1.00 28.42  ? 167 PHE C CZ  1 
ATOM   1339 N N   . TYR C 1 56 ? 1.502   -3.415  35.423 1.00 28.01  ? 168 TYR C N   1 
ATOM   1340 C CA  . TYR C 1 56 ? 0.901   -4.143  34.321 1.00 30.38  ? 168 TYR C CA  1 
ATOM   1341 C C   . TYR C 1 56 ? 1.599   -3.820  33.002 1.00 32.13  ? 168 TYR C C   1 
ATOM   1342 O O   . TYR C 1 56 ? 1.685   -4.683  32.149 1.00 36.85  ? 168 TYR C O   1 
ATOM   1343 C CB  . TYR C 1 56 ? -0.585  -3.824  34.211 1.00 34.11  ? 168 TYR C CB  1 
ATOM   1344 C CG  . TYR C 1 56 ? -1.464  -4.582  35.189 1.00 34.99  ? 168 TYR C CG  1 
ATOM   1345 C CD1 . TYR C 1 56 ? -1.359  -5.963  35.317 1.00 35.57  ? 168 TYR C CD1 1 
ATOM   1346 C CD2 . TYR C 1 56 ? -2.387  -3.922  35.986 1.00 37.49  ? 168 TYR C CD2 1 
ATOM   1347 C CE1 . TYR C 1 56 ? -2.155  -6.668  36.200 1.00 35.99  ? 168 TYR C CE1 1 
ATOM   1348 C CE2 . TYR C 1 56 ? -3.206  -4.617  36.867 1.00 37.29  ? 168 TYR C CE2 1 
ATOM   1349 C CZ  . TYR C 1 56 ? -3.069  -5.992  36.994 1.00 38.32  ? 168 TYR C CZ  1 
ATOM   1350 O OH  . TYR C 1 56 ? -3.855  -6.725  37.830 1.00 31.53  ? 168 TYR C OH  1 
ATOM   1351 N N   . GLU C 1 57 ? 2.011   -2.566  32.802 1.00 34.49  ? 169 GLU C N   1 
ATOM   1352 C CA  . GLU C 1 57 ? 2.659   -2.172  31.558 1.00 37.10  ? 169 GLU C CA  1 
ATOM   1353 C C   . GLU C 1 57 ? 4.007   -2.866  31.403 1.00 37.24  ? 169 GLU C C   1 
ATOM   1354 O O   . GLU C 1 57 ? 4.329   -3.266  30.287 1.00 43.94  ? 169 GLU C O   1 
ATOM   1355 C CB  . GLU C 1 57 ? 2.908   -0.675  31.451 1.00 32.59  ? 169 GLU C CB  1 
ATOM   1356 C CG  . GLU C 1 57 ? 1.654   0.066   31.014 1.00 34.56  ? 169 GLU C CG  1 
ATOM   1357 C CD  . GLU C 1 57 ? 1.866   1.563   30.880 1.00 39.45  ? 169 GLU C CD  1 
ATOM   1358 O OE1 . GLU C 1 57 ? 2.924   2.059   31.284 1.00 42.58  ? 169 GLU C OE1 1 
ATOM   1359 O OE2 . GLU C 1 57 ? 0.958   2.224   30.368 1.00 40.24  ? 169 GLU C OE2 1 
ATOM   1360 N N   . GLU C 1 58 ? 4.758   -2.999  32.502 1.00 37.14  ? 170 GLU C N   1 
ATOM   1361 C CA  . GLU C 1 58 ? 6.010   -3.741  32.465 1.00 37.81  ? 170 GLU C CA  1 
ATOM   1362 C C   . GLU C 1 58 ? 5.743   -5.206  32.097 1.00 43.83  ? 170 GLU C C   1 
ATOM   1363 O O   . GLU C 1 58 ? 6.431   -5.744  31.227 1.00 44.54  ? 170 GLU C O   1 
ATOM   1364 C CB  . GLU C 1 58 ? 6.816   -3.630  33.758 1.00 36.39  ? 170 GLU C CB  1 
ATOM   1365 N N   . ARG C 1 59 ? 4.686   -5.811  32.657 1.00 42.47  ? 171 ARG C N   1 
ATOM   1366 C CA  . ARG C 1 59 ? 4.389   -7.207  32.380 1.00 42.78  ? 171 ARG C CA  1 
ATOM   1367 C C   . ARG C 1 59 ? 3.975   -7.475  30.923 1.00 46.94  ? 171 ARG C C   1 
ATOM   1368 O O   . ARG C 1 59 ? 4.154   -8.602  30.448 1.00 37.46  ? 171 ARG C O   1 
ATOM   1369 C CB  . ARG C 1 59 ? 3.291   -7.743  33.293 1.00 43.70  ? 171 ARG C CB  1 
ATOM   1370 C CG  . ARG C 1 59 ? 3.688   -8.037  34.721 1.00 55.22  ? 171 ARG C CG  1 
ATOM   1371 C CD  . ARG C 1 59 ? 2.470   -8.586  35.448 1.00 57.70  ? 171 ARG C CD  1 
ATOM   1372 N NE  . ARG C 1 59 ? 2.063   -9.948  35.082 1.00 57.85  ? 171 ARG C NE  1 
ATOM   1373 C CZ  . ARG C 1 59 ? 2.422   -11.021 35.792 1.00 63.11  ? 171 ARG C CZ  1 
ATOM   1374 N NH1 . ARG C 1 59 ? 3.479   -10.956 36.590 1.00 63.58  ? 171 ARG C NH1 1 
ATOM   1375 N NH2 . ARG C 1 59 ? 1.763   -12.164 35.670 1.00 71.55  ? 171 ARG C NH2 1 
ATOM   1376 N N   . LEU C 1 60 ? 3.437   -6.481  30.192 1.00 48.71  ? 172 LEU C N   1 
ATOM   1377 C CA  . LEU C 1 60 ? 3.191   -6.690  28.769 1.00 47.77  ? 172 LEU C CA  1 
ATOM   1378 C C   . LEU C 1 60 ? 4.500   -7.079  28.068 1.00 47.68  ? 172 LEU C C   1 
ATOM   1379 O O   . LEU C 1 60 ? 5.367   -6.231  27.827 1.00 44.58  ? 172 LEU C O   1 
ATOM   1380 C CB  . LEU C 1 60 ? 2.569   -5.471  28.086 1.00 48.69  ? 172 LEU C CB  1 
ATOM   1381 C CG  . LEU C 1 60 ? 1.056   -5.455  27.893 1.00 49.29  ? 172 LEU C CG  1 
ATOM   1382 C CD1 . LEU C 1 60 ? 0.725   -4.241  27.056 1.00 48.57  ? 172 LEU C CD1 1 
ATOM   1383 C CD2 . LEU C 1 60 ? 0.497   -6.727  27.237 1.00 45.94  ? 172 LEU C CD2 1 
ATOM   1384 N N   . THR C 1 61 ? 4.580   -8.358  27.666 1.00 56.53  ? 173 THR C N   1 
ATOM   1385 C CA  . THR C 1 61 ? 5.795   -8.966  27.121 1.00 61.47  ? 173 THR C CA  1 
ATOM   1386 C C   . THR C 1 61 ? 6.203   -8.305  25.797 1.00 55.80  ? 173 THR C C   1 
ATOM   1387 O O   . THR C 1 61 ? 7.388   -8.160  25.522 1.00 49.96  ? 173 THR C O   1 
ATOM   1388 C CB  . THR C 1 61 ? 5.622   -10.483 26.934 1.00 64.82  ? 173 THR C CB  1 
ATOM   1389 O OG1 . THR C 1 61 ? 4.837   -10.730 25.763 1.00 65.86  ? 173 THR C OG1 1 
ATOM   1390 C CG2 . THR C 1 61 ? 5.015   -11.165 28.152 1.00 59.82  ? 173 THR C CG2 1 
ATOM   1391 N N   . TRP C 1 62 ? 5.227   -7.915  24.968 1.00 56.35  ? 174 TRP C N   1 
ATOM   1392 C CA  . TRP C 1 62 ? 5.539   -7.356  23.659 1.00 56.13  ? 174 TRP C CA  1 
ATOM   1393 C C   . TRP C 1 62 ? 5.685   -5.831  23.680 1.00 62.90  ? 174 TRP C C   1 
ATOM   1394 O O   . TRP C 1 62 ? 5.839   -5.231  22.617 1.00 74.92  ? 174 TRP C O   1 
ATOM   1395 C CB  . TRP C 1 62 ? 4.488   -7.794  22.633 1.00 56.61  ? 174 TRP C CB  1 
ATOM   1396 C CG  . TRP C 1 62 ? 3.055   -7.502  22.988 1.00 48.11  ? 174 TRP C CG  1 
ATOM   1397 C CD1 . TRP C 1 62 ? 2.146   -8.388  23.485 1.00 45.48  ? 174 TRP C CD1 1 
ATOM   1398 C CD2 . TRP C 1 62 ? 2.355   -6.249  22.824 1.00 47.04  ? 174 TRP C CD2 1 
ATOM   1399 N NE1 . TRP C 1 62 ? 0.927   -7.785  23.644 1.00 43.37  ? 174 TRP C NE1 1 
ATOM   1400 C CE2 . TRP C 1 62 ? 1.023   -6.474  23.257 1.00 47.82  ? 174 TRP C CE2 1 
ATOM   1401 C CE3 . TRP C 1 62 ? 2.721   -4.970  22.374 1.00 45.78  ? 174 TRP C CE3 1 
ATOM   1402 C CZ2 . TRP C 1 62 ? 0.059   -5.467  23.240 1.00 42.23  ? 174 TRP C CZ2 1 
ATOM   1403 C CZ3 . TRP C 1 62 ? 1.766   -3.975  22.364 1.00 45.77  ? 174 TRP C CZ3 1 
ATOM   1404 C CH2 . TRP C 1 62 ? 0.449   -4.232  22.759 1.00 43.16  ? 174 TRP C CH2 1 
ATOM   1405 N N   . HIS C 1 63 ? 5.647   -5.208  24.873 1.00 61.67  ? 175 HIS C N   1 
ATOM   1406 C CA  . HIS C 1 63 ? 5.790   -3.760  25.029 1.00 63.75  ? 175 HIS C CA  1 
ATOM   1407 C C   . HIS C 1 63 ? 7.012   -3.442  25.917 1.00 53.03  ? 175 HIS C C   1 
ATOM   1408 O O   . HIS C 1 63 ? 6.984   -3.737  27.143 1.00 59.96  ? 175 HIS C O   1 
ATOM   1409 C CB  . HIS C 1 63 ? 4.459   -3.122  25.494 1.00 53.24  ? 175 HIS C CB  1 
ATOM   1410 C CG  . HIS C 1 63 ? 4.600   -1.715  26.024 1.00 50.28  ? 175 HIS C CG  1 
ATOM   1411 N ND1 . HIS C 1 63 ? 4.885   -0.620  25.220 1.00 46.08  ? 175 HIS C ND1 1 
ATOM   1412 C CD2 . HIS C 1 63 ? 4.541   -1.237  27.290 1.00 46.63  ? 175 HIS C CD2 1 
ATOM   1413 C CE1 . HIS C 1 63 ? 4.970   0.476   25.972 1.00 51.04  ? 175 HIS C CE1 1 
ATOM   1414 N NE2 . HIS C 1 63 ? 4.768   0.123   27.237 1.00 49.53  ? 175 HIS C NE2 1 
ATOM   1415 N N   . ILE D 1 1  ? -8.503  3.846   15.228 1.00 47.76  ? 113 ILE D N   1 
ATOM   1416 C CA  . ILE D 1 1  ? -8.107  5.276   15.422 1.00 55.56  ? 113 ILE D CA  1 
ATOM   1417 C C   . ILE D 1 1  ? -8.836  6.182   14.433 1.00 71.98  ? 113 ILE D C   1 
ATOM   1418 O O   . ILE D 1 1  ? -8.886  5.883   13.240 1.00 82.87  ? 113 ILE D O   1 
ATOM   1419 C CB  . ILE D 1 1  ? -6.587  5.447   15.283 1.00 57.99  ? 113 ILE D CB  1 
ATOM   1420 N N   . ALA D 1 2  ? -9.372  7.297   14.961 1.00 84.97  ? 114 ALA D N   1 
ATOM   1421 C CA  . ALA D 1 2  ? -9.839  8.439   14.176 1.00 81.62  ? 114 ALA D CA  1 
ATOM   1422 C C   . ALA D 1 2  ? -10.041 9.670   15.069 1.00 71.44  ? 114 ALA D C   1 
ATOM   1423 O O   . ALA D 1 2  ? -9.554  10.747  14.725 1.00 95.33  ? 114 ALA D O   1 
ATOM   1424 C CB  . ALA D 1 2  ? -11.101 8.103   13.402 1.00 79.58  ? 114 ALA D CB  1 
ATOM   1425 N N   . ARG D 1 3  ? -10.767 9.533   16.195 1.00 53.61  ? 115 ARG D N   1 
ATOM   1426 C CA  . ARG D 1 3  ? -11.194 10.703  16.950 1.00 48.09  ? 115 ARG D CA  1 
ATOM   1427 C C   . ARG D 1 3  ? -11.125 10.485  18.469 1.00 44.03  ? 115 ARG D C   1 
ATOM   1428 O O   . ARG D 1 3  ? -10.855 11.427  19.198 1.00 45.46  ? 115 ARG D O   1 
ATOM   1429 C CB  . ARG D 1 3  ? -12.540 11.167  16.383 1.00 51.54  ? 115 ARG D CB  1 
ATOM   1430 C CG  . ARG D 1 3  ? -12.850 12.636  16.615 1.00 57.80  ? 115 ARG D CG  1 
ATOM   1431 C CD  . ARG D 1 3  ? -14.205 12.986  16.058 1.00 63.32  ? 115 ARG D CD  1 
ATOM   1432 N NE  . ARG D 1 3  ? -14.237 13.920  14.922 1.00 61.73  ? 115 ARG D NE  1 
ATOM   1433 C CZ  . ARG D 1 3  ? -13.911 13.705  13.659 1.00 50.14  ? 115 ARG D CZ  1 
ATOM   1434 N NH1 . ARG D 1 3  ? -14.541 14.385  12.716 1.00 66.52  ? 115 ARG D NH1 1 
ATOM   1435 N NH2 . ARG D 1 3  ? -13.074 12.761  13.295 1.00 46.88  ? 115 ARG D NH2 1 
ATOM   1436 N N   . GLY D 1 4  ? -11.374 9.276   18.984 1.00 39.93  ? 116 GLY D N   1 
ATOM   1437 C CA  . GLY D 1 4  ? -10.905 8.932   20.325 1.00 35.04  ? 116 GLY D CA  1 
ATOM   1438 C C   . GLY D 1 4  ? -11.625 9.746   21.398 1.00 32.95  ? 116 GLY D C   1 
ATOM   1439 O O   . GLY D 1 4  ? -12.859 9.863   21.393 1.00 32.12  ? 116 GLY D O   1 
ATOM   1440 N N   . PHE D 1 5  ? -10.839 10.323  22.316 1.00 28.59  ? 117 PHE D N   1 
ATOM   1441 C CA  . PHE D 1 5  ? -11.414 11.027  23.447 1.00 30.54  ? 117 PHE D CA  1 
ATOM   1442 C C   . PHE D 1 5  ? -12.084 12.318  22.964 1.00 35.93  ? 117 PHE D C   1 
ATOM   1443 O O   . PHE D 1 5  ? -12.920 12.879  23.671 1.00 36.54  ? 117 PHE D O   1 
ATOM   1444 C CB  . PHE D 1 5  ? -10.377 11.330  24.532 1.00 34.05  ? 117 PHE D CB  1 
ATOM   1445 C CG  . PHE D 1 5  ? -10.077 10.191  25.501 1.00 36.64  ? 117 PHE D CG  1 
ATOM   1446 C CD1 . PHE D 1 5  ? -10.907 9.972   26.611 1.00 32.44  ? 117 PHE D CD1 1 
ATOM   1447 C CD2 . PHE D 1 5  ? -9.005  9.320   25.293 1.00 32.65  ? 117 PHE D CD2 1 
ATOM   1448 C CE1 . PHE D 1 5  ? -10.640 8.942   27.491 1.00 32.23  ? 117 PHE D CE1 1 
ATOM   1449 C CE2 . PHE D 1 5  ? -8.747  8.286   26.180 1.00 32.31  ? 117 PHE D CE2 1 
ATOM   1450 C CZ  . PHE D 1 5  ? -9.544  8.109   27.289 1.00 32.52  ? 117 PHE D CZ  1 
ATOM   1451 N N   . GLU D 1 6  ? -11.659 12.832  21.803 1.00 36.91  ? 118 GLU D N   1 
ATOM   1452 C CA  . GLU D 1 6  ? -12.185 14.070  21.254 1.00 38.15  ? 118 GLU D CA  1 
ATOM   1453 C C   . GLU D 1 6  ? -13.655 13.888  20.879 1.00 40.43  ? 118 GLU D C   1 
ATOM   1454 O O   . GLU D 1 6  ? -14.334 14.879  20.743 1.00 41.81  ? 118 GLU D O   1 
ATOM   1455 C CB  . GLU D 1 6  ? -11.360 14.563  20.064 1.00 36.63  ? 118 GLU D CB  1 
ATOM   1456 N N   . ARG D 1 7  ? -14.136 12.643  20.748 1.00 40.66  ? 119 ARG D N   1 
ATOM   1457 C CA  . ARG D 1 7  ? -15.534 12.387  20.427 1.00 38.62  ? 119 ARG D CA  1 
ATOM   1458 C C   . ARG D 1 7  ? -16.423 12.707  21.625 1.00 39.24  ? 119 ARG D C   1 
ATOM   1459 O O   . ARG D 1 7  ? -17.638 12.728  21.506 1.00 36.95  ? 119 ARG D O   1 
ATOM   1460 C CB  . ARG D 1 7  ? -15.738 10.919  20.043 1.00 32.94  ? 119 ARG D CB  1 
ATOM   1461 C CG  . ARG D 1 7  ? -15.056 10.579  18.726 1.00 37.80  ? 119 ARG D CG  1 
ATOM   1462 C CD  . ARG D 1 7  ? -14.877 9.085   18.485 1.00 35.90  ? 119 ARG D CD  1 
ATOM   1463 N NE  . ARG D 1 7  ? -16.090 8.299   18.707 1.00 41.05  ? 119 ARG D NE  1 
ATOM   1464 C CZ  . ARG D 1 7  ? -16.177 6.987   18.507 1.00 47.64  ? 119 ARG D CZ  1 
ATOM   1465 N NH1 . ARG D 1 7  ? -15.085 6.232   18.510 1.00 48.49  ? 119 ARG D NH1 1 
ATOM   1466 N NH2 . ARG D 1 7  ? -17.359 6.412   18.406 1.00 47.74  ? 119 ARG D NH2 1 
ATOM   1467 N N   . GLY D 1 8  ? -15.812 12.877  22.795 1.00 37.52  ? 120 GLY D N   1 
ATOM   1468 C CA  . GLY D 1 8  ? -16.537 13.321  23.971 1.00 37.91  ? 120 GLY D CA  1 
ATOM   1469 C C   . GLY D 1 8  ? -17.421 12.236  24.572 1.00 40.24  ? 120 GLY D C   1 
ATOM   1470 O O   . GLY D 1 8  ? -18.246 12.580  25.411 1.00 39.74  ? 120 GLY D O   1 
ATOM   1471 N N   . LEU D 1 9  ? -17.205 10.950  24.234 1.00 36.46  ? 121 LEU D N   1 
ATOM   1472 C CA  . LEU D 1 9  ? -17.987 9.862   24.805 1.00 37.86  ? 121 LEU D CA  1 
ATOM   1473 C C   . LEU D 1 9  ? -17.353 9.373   26.112 1.00 43.13  ? 121 LEU D C   1 
ATOM   1474 O O   . LEU D 1 9  ? -16.195 9.681   26.388 1.00 45.26  ? 121 LEU D O   1 
ATOM   1475 C CB  . LEU D 1 9  ? -18.069 8.749   23.767 1.00 33.29  ? 121 LEU D CB  1 
ATOM   1476 C CG  . LEU D 1 9  ? -18.649 9.111   22.397 1.00 40.17  ? 121 LEU D CG  1 
ATOM   1477 C CD1 . LEU D 1 9  ? -18.753 7.836   21.552 1.00 42.95  ? 121 LEU D CD1 1 
ATOM   1478 C CD2 . LEU D 1 9  ? -20.007 9.816   22.504 1.00 38.06  ? 121 LEU D CD2 1 
ATOM   1479 N N   . GLU D 1 10 ? -18.097 8.598   26.899 1.00 40.74  ? 122 GLU D N   1 
ATOM   1480 C CA  . GLU D 1 10 ? -17.554 8.001   28.105 1.00 45.83  ? 122 GLU D CA  1 
ATOM   1481 C C   . GLU D 1 10 ? -16.845 6.709   27.704 1.00 45.19  ? 122 GLU D C   1 
ATOM   1482 O O   . GLU D 1 10 ? -17.409 5.907   26.965 1.00 36.06  ? 122 GLU D O   1 
ATOM   1483 C CB  . GLU D 1 10 ? -18.527 7.489   29.175 1.00 56.02  ? 122 GLU D CB  1 
ATOM   1484 C CG  . GLU D 1 10 ? -19.741 8.354   29.485 1.00 68.69  ? 122 GLU D CG  1 
ATOM   1485 C CD  . GLU D 1 10 ? -19.330 9.708   29.986 1.00 67.80  ? 122 GLU D CD  1 
ATOM   1486 O OE1 . GLU D 1 10 ? -18.781 10.454  29.158 1.00 69.13  ? 122 GLU D OE1 1 
ATOM   1487 O OE2 . GLU D 1 10 ? -19.535 9.988   31.182 1.00 84.62  ? 122 GLU D OE2 1 
ATOM   1488 N N   . PRO D 1 11 ? -15.606 6.460   28.188 1.00 41.67  ? 123 PRO D N   1 
ATOM   1489 C CA  . PRO D 1 11 ? -14.936 5.180   27.949 1.00 42.39  ? 123 PRO D CA  1 
ATOM   1490 C C   . PRO D 1 11 ? -15.757 4.062   28.572 1.00 35.85  ? 123 PRO D C   1 
ATOM   1491 O O   . PRO D 1 11 ? -16.218 4.226   29.684 1.00 38.44  ? 123 PRO D O   1 
ATOM   1492 C CB  . PRO D 1 11 ? -13.561 5.327   28.615 1.00 39.09  ? 123 PRO D CB  1 
ATOM   1493 C CG  . PRO D 1 11 ? -13.715 6.472   29.577 1.00 37.62  ? 123 PRO D CG  1 
ATOM   1494 C CD  . PRO D 1 11 ? -14.795 7.376   28.997 1.00 38.75  ? 123 PRO D CD  1 
ATOM   1495 N N   . GLU D 1 12 ? -15.939 2.938   27.867 1.00 33.36  ? 124 GLU D N   1 
ATOM   1496 C CA  . GLU D 1 12 ? -16.665 1.831   28.458 1.00 33.08  ? 124 GLU D CA  1 
ATOM   1497 C C   . GLU D 1 12 ? -15.735 0.652   28.773 1.00 32.95  ? 124 GLU D C   1 
ATOM   1498 O O   . GLU D 1 12 ? -15.777 0.112   29.875 1.00 31.68  ? 124 GLU D O   1 
ATOM   1499 C CB  . GLU D 1 12 ? -17.827 1.425   27.556 1.00 35.60  ? 124 GLU D CB  1 
ATOM   1500 C CG  . GLU D 1 12 ? -18.605 0.193   28.001 1.00 34.05  ? 124 GLU D CG  1 
ATOM   1501 C CD  . GLU D 1 12 ? -19.808 -0.002  27.105 1.00 40.54  ? 124 GLU D CD  1 
ATOM   1502 O OE1 . GLU D 1 12 ? -20.750 0.767   27.360 1.00 48.00  ? 124 GLU D OE1 1 
ATOM   1503 O OE2 . GLU D 1 12 ? -19.798 -0.806  26.141 1.00 43.16  ? 124 GLU D OE2 1 
ATOM   1504 N N   . LYS D 1 13 ? -14.966 0.193   27.788 1.00 32.21  ? 125 LYS D N   1 
ATOM   1505 C CA  . LYS D 1 13 ? -14.275 -1.083  27.888 1.00 31.16  ? 125 LYS D CA  1 
ATOM   1506 C C   . LYS D 1 13 ? -13.107 -1.088  26.904 1.00 28.77  ? 125 LYS D C   1 
ATOM   1507 O O   . LYS D 1 13 ? -13.291 -0.640  25.791 1.00 27.14  ? 125 LYS D O   1 
ATOM   1508 C CB  . LYS D 1 13 ? -15.223 -2.244  27.561 1.00 35.08  ? 125 LYS D CB  1 
ATOM   1509 C CG  . LYS D 1 13 ? -14.673 -3.671  27.785 1.00 35.29  ? 125 LYS D CG  1 
ATOM   1510 C CD  . LYS D 1 13 ? -15.524 -4.861  27.312 1.00 36.37  ? 125 LYS D CD  1 
ATOM   1511 C CE  . LYS D 1 13 ? -15.616 -6.009  28.355 1.00 42.17  ? 125 LYS D CE  1 
ATOM   1512 N NZ  . LYS D 1 13 ? -14.741 -7.200  28.278 1.00 41.98  ? 125 LYS D NZ  1 
ATOM   1513 N N   . ILE D 1 14 ? -11.931 -1.549  27.342 1.00 23.41  ? 126 ILE D N   1 
ATOM   1514 C CA  . ILE D 1 14 ? -10.791 -1.726  26.472 1.00 25.65  ? 126 ILE D CA  1 
ATOM   1515 C C   . ILE D 1 14 ? -10.841 -3.145  25.945 1.00 26.00  ? 126 ILE D C   1 
ATOM   1516 O O   . ILE D 1 14 ? -10.967 -4.068  26.751 1.00 27.79  ? 126 ILE D O   1 
ATOM   1517 C CB  . ILE D 1 14 ? -9.464  -1.405  27.198 1.00 28.16  ? 126 ILE D CB  1 
ATOM   1518 C CG1 . ILE D 1 14 ? -9.373  0.095   27.542 1.00 28.21  ? 126 ILE D CG1 1 
ATOM   1519 C CG2 . ILE D 1 14 ? -8.283  -1.846  26.330 1.00 29.86  ? 126 ILE D CG2 1 
ATOM   1520 C CD1 . ILE D 1 14 ? -8.232  0.506   28.459 1.00 32.42  ? 126 ILE D CD1 1 
ATOM   1521 N N   . ILE D 1 15 ? -10.779 -3.316  24.620 1.00 22.51  ? 127 ILE D N   1 
ATOM   1522 C CA  . ILE D 1 15 ? -11.069 -4.588  23.970 1.00 21.51  ? 127 ILE D CA  1 
ATOM   1523 C C   . ILE D 1 15 ? -9.875  -5.057  23.149 1.00 21.49  ? 127 ILE D C   1 
ATOM   1524 O O   . ILE D 1 15 ? -9.970  -6.043  22.418 1.00 19.13  ? 127 ILE D O   1 
ATOM   1525 C CB  . ILE D 1 15 ? -12.337 -4.462  23.103 1.00 21.93  ? 127 ILE D CB  1 
ATOM   1526 C CG1 . ILE D 1 15 ? -12.203 -3.364  22.049 1.00 25.81  ? 127 ILE D CG1 1 
ATOM   1527 C CG2 . ILE D 1 15 ? -13.536 -4.232  24.022 1.00 23.06  ? 127 ILE D CG2 1 
ATOM   1528 C CD1 . ILE D 1 15 ? -13.196 -3.434  20.884 1.00 28.94  ? 127 ILE D CD1 1 
ATOM   1529 N N   . GLY D 1 16 ? -8.754  -4.337  23.253 1.00 22.88  ? 128 GLY D N   1 
ATOM   1530 C CA  . GLY D 1 16 ? -7.585  -4.640  22.438 1.00 22.27  ? 128 GLY D CA  1 
ATOM   1531 C C   . GLY D 1 16 ? -6.431  -3.691  22.753 1.00 21.89  ? 128 GLY D C   1 
ATOM   1532 O O   . GLY D 1 16 ? -6.596  -2.694  23.474 1.00 21.84  ? 128 GLY D O   1 
ATOM   1533 N N   . ALA D 1 17 ? -5.235  -4.034  22.273 1.00 21.12  ? 129 ALA D N   1 
ATOM   1534 C CA  . ALA D 1 17 ? -4.068  -3.202  22.551 1.00 22.49  ? 129 ALA D CA  1 
ATOM   1535 C C   . ALA D 1 17 ? -3.033  -3.435  21.462 1.00 26.45  ? 129 ALA D C   1 
ATOM   1536 O O   . ALA D 1 17 ? -2.966  -4.530  20.910 1.00 28.33  ? 129 ALA D O   1 
ATOM   1537 C CB  . ALA D 1 17 ? -3.500  -3.546  23.915 1.00 28.10  ? 129 ALA D CB  1 
ATOM   1538 N N   . THR D 1 18 ? -2.267  -2.395  21.120 1.00 25.98  ? 130 THR D N   1 
ATOM   1539 C CA  . THR D 1 18 ? -1.202  -2.501  20.135 1.00 28.60  ? 130 THR D CA  1 
ATOM   1540 C C   . THR D 1 18 ? -0.152  -1.426  20.407 1.00 30.59  ? 130 THR D C   1 
ATOM   1541 O O   . THR D 1 18 ? -0.222  -0.751  21.399 1.00 29.32  ? 130 THR D O   1 
ATOM   1542 C CB  . THR D 1 18 ? -1.793  -2.428  18.732 1.00 31.72  ? 130 THR D CB  1 
ATOM   1543 O OG1 . THR D 1 18 ? -0.643  -2.668  17.933 1.00 40.29  ? 130 THR D OG1 1 
ATOM   1544 C CG2 . THR D 1 18 ? -2.455  -1.109  18.391 1.00 28.47  ? 130 THR D CG2 1 
ATOM   1545 N N   . ASP D 1 19 ? 0.869   -1.241  19.590 1.00 44.22  ? 131 ASP D N   1 
ATOM   1546 C CA  . ASP D 1 19 ? 1.725   -0.082  19.821 1.00 50.75  ? 131 ASP D CA  1 
ATOM   1547 C C   . ASP D 1 19 ? 1.890   0.722   18.527 1.00 51.62  ? 131 ASP D C   1 
ATOM   1548 O O   . ASP D 1 19 ? 1.924   0.169   17.432 1.00 60.89  ? 131 ASP D O   1 
ATOM   1549 C CB  . ASP D 1 19 ? 2.936   -0.545  20.617 1.00 60.41  ? 131 ASP D CB  1 
ATOM   1550 C CG  . ASP D 1 19 ? 3.952   -1.353  19.836 1.00 59.56  ? 131 ASP D CG  1 
ATOM   1551 O OD1 . ASP D 1 19 ? 4.703   -0.715  19.081 1.00 64.52  ? 131 ASP D OD1 1 
ATOM   1552 O OD2 . ASP D 1 19 ? 3.983   -2.593  20.011 1.00 72.98  ? 131 ASP D OD2 1 
ATOM   1553 N N   . SER D 1 20 ? 1.924   2.056   18.652 1.00 53.50  ? 132 SER D N   1 
ATOM   1554 C CA  . SER D 1 20 ? 2.319   2.958   17.578 1.00 46.74  ? 132 SER D CA  1 
ATOM   1555 C C   . SER D 1 20 ? 3.745   3.410   17.887 1.00 47.59  ? 132 SER D C   1 
ATOM   1556 O O   . SER D 1 20 ? 4.000   4.148   18.851 1.00 39.44  ? 132 SER D O   1 
ATOM   1557 C CB  . SER D 1 20 ? 1.371   4.132   17.403 1.00 44.89  ? 132 SER D CB  1 
ATOM   1558 O OG  . SER D 1 20 ? 1.770   5.053   16.377 1.00 53.09  ? 132 SER D OG  1 
ATOM   1559 N N   . CYS D 1 21 ? 4.676   2.823   17.135 1.00 47.79  ? 133 CYS D N   1 
ATOM   1560 C CA  . CYS D 1 21 ? 6.093   3.145   17.161 1.00 52.86  ? 133 CYS D CA  1 
ATOM   1561 C C   . CYS D 1 21 ? 6.631   3.175   18.588 1.00 47.64  ? 133 CYS D C   1 
ATOM   1562 O O   . CYS D 1 21 ? 7.233   4.158   19.028 1.00 53.75  ? 133 CYS D O   1 
ATOM   1563 C CB  . CYS D 1 21 ? 6.390   4.419   16.382 1.00 61.18  ? 133 CYS D CB  1 
ATOM   1564 S SG  . CYS D 1 21 ? 8.024   4.368   15.593 1.00 93.38  ? 133 CYS D SG  1 
ATOM   1565 N N   . GLY D 1 22 ? 6.352   2.100   19.330 1.00 42.83  ? 134 GLY D N   1 
ATOM   1566 C CA  . GLY D 1 22 ? 6.828   1.982   20.701 1.00 47.32  ? 134 GLY D CA  1 
ATOM   1567 C C   . GLY D 1 22 ? 5.848   2.524   21.748 1.00 44.58  ? 134 GLY D C   1 
ATOM   1568 O O   . GLY D 1 22 ? 5.993   2.152   22.915 1.00 41.11  ? 134 GLY D O   1 
ATOM   1569 N N   . ASP D 1 23 ? 4.842   3.339   21.351 1.00 34.93  ? 135 ASP D N   1 
ATOM   1570 C CA  . ASP D 1 23 ? 3.848   3.795   22.329 1.00 36.75  ? 135 ASP D CA  1 
ATOM   1571 C C   . ASP D 1 23 ? 2.701   2.770   22.373 1.00 32.93  ? 135 ASP D C   1 
ATOM   1572 O O   . ASP D 1 23 ? 2.122   2.409   21.366 1.00 33.99  ? 135 ASP D O   1 
ATOM   1573 C CB  . ASP D 1 23 ? 3.438   5.256   22.139 1.00 37.75  ? 135 ASP D CB  1 
ATOM   1574 C CG  . ASP D 1 23 ? 3.797   6.301   23.224 1.00 52.18  ? 135 ASP D CG  1 
ATOM   1575 O OD1 . ASP D 1 23 ? 3.341   6.159   24.393 1.00 52.34  ? 135 ASP D OD1 1 
ATOM   1576 O OD2 . ASP D 1 23 ? 4.452   7.344   22.918 1.00 50.90  ? 135 ASP D OD2 1 
ATOM   1577 N N   . LEU D 1 24 ? 2.394   2.266   23.560 1.00 29.89  ? 136 LEU D N   1 
ATOM   1578 C CA  . LEU D 1 24 ? 1.200   1.459   23.756 1.00 28.18  ? 136 LEU D CA  1 
ATOM   1579 C C   . LEU D 1 24 ? -0.080  2.263   23.464 1.00 26.10  ? 136 LEU D C   1 
ATOM   1580 O O   . LEU D 1 24 ? -0.286  3.360   23.965 1.00 23.06  ? 136 LEU D O   1 
ATOM   1581 C CB  . LEU D 1 24 ? 1.268   0.954   25.193 1.00 26.47  ? 136 LEU D CB  1 
ATOM   1582 C CG  . LEU D 1 24 ? 0.137   -0.001  25.607 1.00 29.11  ? 136 LEU D CG  1 
ATOM   1583 C CD1 . LEU D 1 24 ? 0.074   -1.278  24.751 1.00 25.99  ? 136 LEU D CD1 1 
ATOM   1584 C CD2 . LEU D 1 24 ? 0.322   -0.345  27.073 1.00 26.09  ? 136 LEU D CD2 1 
ATOM   1585 N N   . MET D 1 25 ? -0.974  1.632   22.709 1.00 24.48  ? 137 MET D N   1 
ATOM   1586 C CA  . MET D 1 25 ? -2.318  2.083   22.429 1.00 24.91  ? 137 MET D CA  1 
ATOM   1587 C C   . MET D 1 25 ? -3.312  1.038   22.928 1.00 26.59  ? 137 MET D C   1 
ATOM   1588 O O   . MET D 1 25 ? -3.004  -0.153  22.905 1.00 26.10  ? 137 MET D O   1 
ATOM   1589 C CB  . MET D 1 25 ? -2.521  2.171   20.911 1.00 28.37  ? 137 MET D CB  1 
ATOM   1590 C CG  . MET D 1 25 ? -1.410  2.899   20.176 1.00 29.70  ? 137 MET D CG  1 
ATOM   1591 S SD  . MET D 1 25 ? -1.566  4.665   20.444 1.00 32.91  ? 137 MET D SD  1 
ATOM   1592 C CE  . MET D 1 25 ? -3.016  5.119   19.490 1.00 28.94  ? 137 MET D CE  1 
ATOM   1593 N N   . PHE D 1 26 ? -4.499  1.503   23.313 1.00 27.11  ? 138 PHE D N   1 
ATOM   1594 C CA  . PHE D 1 26 ? -5.635  0.674   23.680 1.00 29.82  ? 138 PHE D CA  1 
ATOM   1595 C C   . PHE D 1 26 ? -6.722  0.848   22.620 1.00 26.04  ? 138 PHE D C   1 
ATOM   1596 O O   . PHE D 1 26 ? -6.963  1.960   22.129 1.00 25.86  ? 138 PHE D O   1 
ATOM   1597 C CB  . PHE D 1 26 ? -6.178  1.118   25.039 1.00 26.91  ? 138 PHE D CB  1 
ATOM   1598 C CG  . PHE D 1 26 ? -5.291  0.811   26.235 1.00 26.83  ? 138 PHE D CG  1 
ATOM   1599 C CD1 . PHE D 1 26 ? -4.782  -0.471  26.448 1.00 28.44  ? 138 PHE D CD1 1 
ATOM   1600 C CD2 . PHE D 1 26 ? -4.982  1.799   27.166 1.00 28.45  ? 138 PHE D CD2 1 
ATOM   1601 C CE1 . PHE D 1 26 ? -3.952  -0.750  27.532 1.00 23.96  ? 138 PHE D CE1 1 
ATOM   1602 C CE2 . PHE D 1 26 ? -4.213  1.503   28.282 1.00 28.37  ? 138 PHE D CE2 1 
ATOM   1603 C CZ  . PHE D 1 26 ? -3.661  0.246   28.444 1.00 26.36  ? 138 PHE D CZ  1 
ATOM   1604 N N   . LEU D 1 27 ? -7.409  -0.255  22.301 1.00 24.79  ? 139 LEU D N   1 
ATOM   1605 C CA  . LEU D 1 27 ? -8.646  -0.157  21.552 1.00 24.12  ? 139 LEU D CA  1 
ATOM   1606 C C   . LEU D 1 27 ? -9.812  0.045   22.517 1.00 25.69  ? 139 LEU D C   1 
ATOM   1607 O O   . LEU D 1 27 ? -10.142 -0.843  23.286 1.00 24.77  ? 139 LEU D O   1 
ATOM   1608 C CB  . LEU D 1 27 ? -8.812  -1.394  20.687 1.00 28.10  ? 139 LEU D CB  1 
ATOM   1609 C CG  . LEU D 1 27 ? -9.974  -1.380  19.698 1.00 32.77  ? 139 LEU D CG  1 
ATOM   1610 C CD1 . LEU D 1 27 ? -9.777  -0.198  18.728 1.00 35.35  ? 139 LEU D CD1 1 
ATOM   1611 C CD2 . LEU D 1 27 ? -10.065 -2.703  18.934 1.00 33.27  ? 139 LEU D CD2 1 
ATOM   1612 N N   . MET D 1 28 ? -10.368 1.256   22.516 1.00 26.70  ? 140 MET D N   1 
ATOM   1613 C CA  . MET D 1 28 ? -11.395 1.671   23.452 1.00 29.14  ? 140 MET D CA  1 
ATOM   1614 C C   . MET D 1 28 ? -12.786 1.545   22.816 1.00 32.98  ? 140 MET D C   1 
ATOM   1615 O O   . MET D 1 28 ? -13.061 2.119   21.789 1.00 28.24  ? 140 MET D O   1 
ATOM   1616 C CB  . MET D 1 28 ? -11.217 3.131   23.846 1.00 27.62  ? 140 MET D CB  1 
ATOM   1617 C CG  . MET D 1 28 ? -12.265 3.629   24.873 1.00 33.51  ? 140 MET D CG  1 
ATOM   1618 S SD  . MET D 1 28 ? -12.100 2.850   26.501 1.00 31.43  ? 140 MET D SD  1 
ATOM   1619 C CE  . MET D 1 28 ? -10.602 3.682   27.010 1.00 27.82  ? 140 MET D CE  1 
ATOM   1620 N N   . LYS D 1 29 ? -13.665 0.808   23.481 1.00 35.07  ? 141 LYS D N   1 
ATOM   1621 C CA  . LYS D 1 29 ? -15.094 0.831   23.226 1.00 33.59  ? 141 LYS D CA  1 
ATOM   1622 C C   . LYS D 1 29 ? -15.724 1.908   24.098 1.00 33.32  ? 141 LYS D C   1 
ATOM   1623 O O   . LYS D 1 29 ? -15.514 1.927   25.304 1.00 32.73  ? 141 LYS D O   1 
ATOM   1624 C CB  . LYS D 1 29 ? -15.760 -0.502  23.590 1.00 36.94  ? 141 LYS D CB  1 
ATOM   1625 C CG  . LYS D 1 29 ? -17.121 -0.599  22.895 1.00 39.45  ? 141 LYS D CG  1 
ATOM   1626 C CD  . LYS D 1 29 ? -18.165 -1.601  23.358 1.00 43.51  ? 141 LYS D CD  1 
ATOM   1627 C CE  . LYS D 1 29 ? -19.499 -1.231  22.709 1.00 39.86  ? 141 LYS D CE  1 
ATOM   1628 N NZ  . LYS D 1 29 ? -20.110 -0.026  23.311 1.00 39.42  ? 141 LYS D NZ  1 
ATOM   1629 N N   . TRP D 1 30 ? -16.465 2.825   23.470 1.00 31.58  ? 142 TRP D N   1 
ATOM   1630 C CA  . TRP D 1 30 ? -17.121 3.932   24.137 1.00 37.44  ? 142 TRP D CA  1 
ATOM   1631 C C   . TRP D 1 30 ? -18.589 3.576   24.409 1.00 36.27  ? 142 TRP D C   1 
ATOM   1632 O O   . TRP D 1 30 ? -19.177 2.751   23.692 1.00 32.96  ? 142 TRP D O   1 
ATOM   1633 C CB  . TRP D 1 30 ? -17.040 5.174   23.239 1.00 35.81  ? 142 TRP D CB  1 
ATOM   1634 C CG  . TRP D 1 30 ? -15.653 5.534   22.800 1.00 31.55  ? 142 TRP D CG  1 
ATOM   1635 C CD1 . TRP D 1 30 ? -15.032 5.173   21.635 1.00 29.94  ? 142 TRP D CD1 1 
ATOM   1636 C CD2 . TRP D 1 30 ? -14.687 6.273   23.561 1.00 28.08  ? 142 TRP D CD2 1 
ATOM   1637 N NE1 . TRP D 1 30 ? -13.767 5.674   21.614 1.00 29.31  ? 142 TRP D NE1 1 
ATOM   1638 C CE2 . TRP D 1 30 ? -13.516 6.352   22.771 1.00 27.24  ? 142 TRP D CE2 1 
ATOM   1639 C CE3 . TRP D 1 30 ? -14.692 6.874   24.819 1.00 28.31  ? 142 TRP D CE3 1 
ATOM   1640 C CZ2 . TRP D 1 30 ? -12.359 7.015   23.197 1.00 29.05  ? 142 TRP D CZ2 1 
ATOM   1641 C CZ3 . TRP D 1 30 ? -13.545 7.483   25.267 1.00 28.76  ? 142 TRP D CZ3 1 
ATOM   1642 C CH2 . TRP D 1 30 ? -12.402 7.555   24.464 1.00 31.01  ? 142 TRP D CH2 1 
ATOM   1643 N N   . LYS D 1 31 ? -19.190 4.248   25.397 1.00 36.11  ? 143 LYS D N   1 
ATOM   1644 C CA  . LYS D 1 31 ? -20.580 3.957   25.757 1.00 42.40  ? 143 LYS D CA  1 
ATOM   1645 C C   . LYS D 1 31 ? -21.509 4.355   24.615 1.00 43.97  ? 143 LYS D C   1 
ATOM   1646 O O   . LYS D 1 31 ? -21.376 5.446   24.067 1.00 42.18  ? 143 LYS D O   1 
ATOM   1647 C CB  . LYS D 1 31 ? -21.087 4.641   27.026 1.00 44.09  ? 143 LYS D CB  1 
ATOM   1648 C CG  . LYS D 1 31 ? -20.309 4.079   28.182 1.00 57.27  ? 143 LYS D CG  1 
ATOM   1649 C CD  . LYS D 1 31 ? -20.583 4.586   29.587 1.00 59.89  ? 143 LYS D CD  1 
ATOM   1650 C CE  . LYS D 1 31 ? -19.548 3.993   30.488 1.00 60.28  ? 143 LYS D CE  1 
ATOM   1651 N NZ  . LYS D 1 31 ? -19.773 2.551   30.619 1.00 62.53  ? 143 LYS D NZ  1 
ATOM   1652 N N   . ASP D 1 32 ? -22.413 3.431   24.253 1.00 47.25  ? 144 ASP D N   1 
ATOM   1653 C CA  . ASP D 1 32 ? -23.441 3.681   23.250 1.00 46.88  ? 144 ASP D CA  1 
ATOM   1654 C C   . ASP D 1 32 ? -22.812 4.081   21.919 1.00 43.17  ? 144 ASP D C   1 
ATOM   1655 O O   . ASP D 1 32 ? -23.148 5.137   21.379 1.00 37.95  ? 144 ASP D O   1 
ATOM   1656 C CB  . ASP D 1 32 ? -24.471 4.673   23.768 1.00 45.60  ? 144 ASP D CB  1 
ATOM   1657 C CG  . ASP D 1 32 ? -25.187 4.201   25.026 1.00 50.13  ? 144 ASP D CG  1 
ATOM   1658 O OD1 . ASP D 1 32 ? -25.617 3.013   25.064 1.00 52.79  ? 144 ASP D OD1 1 
ATOM   1659 O OD2 . ASP D 1 32 ? -25.338 5.020   25.955 1.00 50.56  ? 144 ASP D OD2 1 
ATOM   1660 N N   . THR D 1 33 ? -21.774 3.319   21.543 1.00 42.46  ? 145 THR D N   1 
ATOM   1661 C CA  . THR D 1 33 ? -21.238 3.277   20.189 1.00 39.24  ? 145 THR D CA  1 
ATOM   1662 C C   . THR D 1 33 ? -20.570 1.926   20.004 1.00 35.76  ? 145 THR D C   1 
ATOM   1663 O O   . THR D 1 33 ? -19.953 1.422   20.942 1.00 36.35  ? 145 THR D O   1 
ATOM   1664 C CB  . THR D 1 33 ? -20.214 4.377   19.923 1.00 40.64  ? 145 THR D CB  1 
ATOM   1665 O OG1 . THR D 1 33 ? -20.807 5.646   19.693 1.00 57.05  ? 145 THR D OG1 1 
ATOM   1666 C CG2 . THR D 1 33 ? -19.430 4.117   18.656 1.00 39.35  ? 145 THR D CG2 1 
ATOM   1667 N N   . ASP D 1 34 ? -20.637 1.379   18.790 1.00 40.70  ? 146 ASP D N   1 
ATOM   1668 C CA  . ASP D 1 34 ? -19.951 0.131   18.491 1.00 52.63  ? 146 ASP D CA  1 
ATOM   1669 C C   . ASP D 1 34 ? -18.717 0.405   17.634 1.00 41.71  ? 146 ASP D C   1 
ATOM   1670 O O   . ASP D 1 34 ? -18.087 -0.550  17.211 1.00 33.64  ? 146 ASP D O   1 
ATOM   1671 C CB  . ASP D 1 34 ? -20.811 -0.895  17.761 1.00 66.38  ? 146 ASP D CB  1 
ATOM   1672 C CG  . ASP D 1 34 ? -22.277 -0.940  18.142 1.00 69.25  ? 146 ASP D CG  1 
ATOM   1673 O OD1 . ASP D 1 34 ? -22.544 -1.069  19.353 1.00 75.16  ? 146 ASP D OD1 1 
ATOM   1674 O OD2 . ASP D 1 34 ? -23.106 -0.821  17.210 1.00 68.38  ? 146 ASP D OD2 1 
ATOM   1675 N N   . GLU D 1 35 ? -18.406 1.684   17.379 1.00 40.66  ? 147 GLU D N   1 
ATOM   1676 C CA  . GLU D 1 35 ? -17.145 2.060   16.743 1.00 45.63  ? 147 GLU D CA  1 
ATOM   1677 C C   . GLU D 1 35 ? -16.067 2.327   17.801 1.00 39.00  ? 147 GLU D C   1 
ATOM   1678 O O   . GLU D 1 35 ? -16.144 3.301   18.534 1.00 35.03  ? 147 GLU D O   1 
ATOM   1679 C CB  . GLU D 1 35 ? -17.391 3.318   15.913 1.00 52.79  ? 147 GLU D CB  1 
ATOM   1680 C CG  . GLU D 1 35 ? -16.267 3.677   14.937 1.00 56.59  ? 147 GLU D CG  1 
ATOM   1681 C CD  . GLU D 1 35 ? -16.640 4.938   14.195 1.00 61.02  ? 147 GLU D CD  1 
ATOM   1682 O OE1 . GLU D 1 35 ? -15.893 5.933   14.253 1.00 70.27  ? 147 GLU D OE1 1 
ATOM   1683 O OE2 . GLU D 1 35 ? -17.743 4.922   13.605 1.00 56.92  ? 147 GLU D OE2 1 
ATOM   1684 N N   . ALA D 1 36 ? -15.121 1.396   17.921 1.00 44.38  ? 148 ALA D N   1 
ATOM   1685 C CA  . ALA D 1 36 ? -14.024 1.495   18.864 1.00 44.53  ? 148 ALA D CA  1 
ATOM   1686 C C   . ALA D 1 36 ? -12.876 2.248   18.194 1.00 37.54  ? 148 ALA D C   1 
ATOM   1687 O O   . ALA D 1 36 ? -12.734 2.182   16.987 1.00 40.77  ? 148 ALA D O   1 
ATOM   1688 C CB  . ALA D 1 36 ? -13.636 0.097   19.285 1.00 46.32  ? 148 ALA D CB  1 
ATOM   1689 N N   . ASP D 1 37 ? -12.044 2.909   19.002 1.00 37.41  ? 149 ASP D N   1 
ATOM   1690 C CA  . ASP D 1 37 ? -10.979 3.809   18.546 1.00 34.98  ? 149 ASP D CA  1 
ATOM   1691 C C   . ASP D 1 37 ? -9.691  3.569   19.312 1.00 30.61  ? 149 ASP D C   1 
ATOM   1692 O O   . ASP D 1 37 ? -9.752  3.219   20.476 1.00 29.79  ? 149 ASP D O   1 
ATOM   1693 C CB  . ASP D 1 37 ? -11.248 5.253   18.931 1.00 30.98  ? 149 ASP D CB  1 
ATOM   1694 C CG  . ASP D 1 37 ? -12.133 5.964   17.950 1.00 35.45  ? 149 ASP D CG  1 
ATOM   1695 O OD1 . ASP D 1 37 ? -12.493 5.313   16.965 1.00 59.02  ? 149 ASP D OD1 1 
ATOM   1696 O OD2 . ASP D 1 37 ? -12.435 7.109   18.159 1.00 36.55  ? 149 ASP D OD2 1 
ATOM   1697 N N   . LEU D 1 38 ? -8.541  3.843   18.678 1.00 29.64  ? 150 LEU D N   1 
ATOM   1698 C CA  . LEU D 1 38 ? -7.260  3.681   19.336 1.00 26.99  ? 150 LEU D CA  1 
ATOM   1699 C C   . LEU D 1 38 ? -6.872  4.939   20.119 1.00 26.80  ? 150 LEU D C   1 
ATOM   1700 O O   . LEU D 1 38 ? -6.876  6.063   19.605 1.00 27.13  ? 150 LEU D O   1 
ATOM   1701 C CB  . LEU D 1 38 ? -6.188  3.314   18.315 1.00 28.87  ? 150 LEU D CB  1 
ATOM   1702 C CG  . LEU D 1 38 ? -6.222  1.864   17.822 1.00 27.64  ? 150 LEU D CG  1 
ATOM   1703 C CD1 . LEU D 1 38 ? -5.267  1.841   16.612 1.00 29.83  ? 150 LEU D CD1 1 
ATOM   1704 C CD2 . LEU D 1 38 ? -5.883  0.854   18.906 1.00 26.02  ? 150 LEU D CD2 1 
ATOM   1705 N N   . VAL D 1 39 ? -6.489  4.753   21.386 1.00 25.02  ? 151 VAL D N   1 
ATOM   1706 C CA  . VAL D 1 39 ? -6.085  5.871   22.220 1.00 22.27  ? 151 VAL D CA  1 
ATOM   1707 C C   . VAL D 1 39 ? -4.762  5.464   22.844 1.00 23.95  ? 151 VAL D C   1 
ATOM   1708 O O   . VAL D 1 39 ? -4.543  4.284   23.061 1.00 27.29  ? 151 VAL D O   1 
ATOM   1709 C CB  . VAL D 1 39 ? -7.152  6.208   23.281 1.00 21.37  ? 151 VAL D CB  1 
ATOM   1710 C CG1 . VAL D 1 39 ? -8.480  6.585   22.623 1.00 21.99  ? 151 VAL D CG1 1 
ATOM   1711 C CG2 . VAL D 1 39 ? -7.366  5.055   24.260 1.00 23.83  ? 151 VAL D CG2 1 
ATOM   1712 N N   . LEU D 1 40 ? -3.918  6.448   23.140 1.00 21.81  ? 152 LEU D N   1 
ATOM   1713 C CA  . LEU D 1 40 ? -2.667  6.214   23.822 1.00 24.68  ? 152 LEU D CA  1 
ATOM   1714 C C   . LEU D 1 40 ? -2.984  5.654   25.201 1.00 23.98  ? 152 LEU D C   1 
ATOM   1715 O O   . LEU D 1 40 ? -3.854  6.186   25.896 1.00 22.89  ? 152 LEU D O   1 
ATOM   1716 C CB  . LEU D 1 40 ? -1.893  7.533   23.943 1.00 25.78  ? 152 LEU D CB  1 
ATOM   1717 C CG  . LEU D 1 40 ? -1.139  7.991   22.685 1.00 25.22  ? 152 LEU D CG  1 
ATOM   1718 C CD1 . LEU D 1 40 ? -0.826  9.457   22.766 1.00 27.80  ? 152 LEU D CD1 1 
ATOM   1719 C CD2 . LEU D 1 40 ? 0.163   7.207   22.537 1.00 23.29  ? 152 LEU D CD2 1 
ATOM   1720 N N   . ALA D 1 41 ? -2.235  4.644   25.624 1.00 22.75  ? 153 ALA D N   1 
ATOM   1721 C CA  . ALA D 1 41 ? -2.263  4.199   27.007 1.00 25.42  ? 153 ALA D CA  1 
ATOM   1722 C C   . ALA D 1 41 ? -2.094  5.383   27.954 1.00 28.01  ? 153 ALA D C   1 
ATOM   1723 O O   . ALA D 1 41 ? -2.865  5.538   28.898 1.00 27.77  ? 153 ALA D O   1 
ATOM   1724 C CB  . ALA D 1 41 ? -1.222  3.100   27.222 1.00 26.82  ? 153 ALA D CB  1 
ATOM   1725 N N   . LYS D 1 42 ? -1.117  6.245   27.662 1.00 26.61  ? 154 LYS D N   1 
ATOM   1726 C CA  . LYS D 1 42 ? -0.822  7.402   28.500 1.00 28.52  ? 154 LYS D CA  1 
ATOM   1727 C C   . LYS D 1 42 ? -2.052  8.290   28.680 1.00 27.65  ? 154 LYS D C   1 
ATOM   1728 O O   . LYS D 1 42 ? -2.212  8.894   29.733 1.00 32.59  ? 154 LYS D O   1 
ATOM   1729 C CB  . LYS D 1 42 ? 0.388   8.189   27.969 1.00 32.50  ? 154 LYS D CB  1 
ATOM   1730 C CG  . LYS D 1 42 ? 1.719   7.505   28.282 1.00 37.39  ? 154 LYS D CG  1 
ATOM   1731 C CD  . LYS D 1 42 ? 2.832   8.048   27.408 1.00 42.88  ? 154 LYS D CD  1 
ATOM   1732 C CE  . LYS D 1 42 ? 4.040   7.173   27.242 1.00 50.34  ? 154 LYS D CE  1 
ATOM   1733 N NZ  . LYS D 1 42 ? 4.903   7.851   26.248 1.00 54.58  ? 154 LYS D NZ  1 
ATOM   1734 N N   . GLU D 1 43 ? -2.927  8.413   27.691 1.00 25.07  ? 155 GLU D N   1 
ATOM   1735 C CA  . GLU D 1 43 ? -4.115  9.252   27.850 1.00 23.09  ? 155 GLU D CA  1 
ATOM   1736 C C   . GLU D 1 43 ? -5.128  8.481   28.695 1.00 21.59  ? 155 GLU D C   1 
ATOM   1737 O O   . GLU D 1 43 ? -5.652  9.045   29.645 1.00 26.65  ? 155 GLU D O   1 
ATOM   1738 C CB  . GLU D 1 43 ? -4.632  9.713   26.479 1.00 28.07  ? 155 GLU D CB  1 
ATOM   1739 C CG  . GLU D 1 43 ? -5.746  10.754  26.524 1.00 29.30  ? 155 GLU D CG  1 
ATOM   1740 C CD  . GLU D 1 43 ? -6.290  11.214  25.170 1.00 29.04  ? 155 GLU D CD  1 
ATOM   1741 O OE1 . GLU D 1 43 ? -7.086  12.200  25.163 1.00 27.53  ? 155 GLU D OE1 1 
ATOM   1742 O OE2 . GLU D 1 43 ? -6.044  10.546  24.131 1.00 33.86  ? 155 GLU D OE2 1 
ATOM   1743 N N   . ALA D 1 44 ? -5.425  7.227   28.310 1.00 19.16  ? 156 ALA D N   1 
ATOM   1744 C CA  . ALA D 1 44 ? -6.313  6.362   29.066 1.00 26.29  ? 156 ALA D CA  1 
ATOM   1745 C C   . ALA D 1 44 ? -5.887  6.211   30.527 1.00 24.83  ? 156 ALA D C   1 
ATOM   1746 O O   . ALA D 1 44 ? -6.746  6.248   31.409 1.00 22.89  ? 156 ALA D O   1 
ATOM   1747 C CB  . ALA D 1 44 ? -6.375  4.985   28.449 1.00 29.80  ? 156 ALA D CB  1 
ATOM   1748 N N   . ASN D 1 45 ? -4.585  6.001   30.783 1.00 22.96  ? 157 ASN D N   1 
ATOM   1749 C CA  . ASN D 1 45 ? -4.110  5.784   32.143 1.00 24.44  ? 157 ASN D CA  1 
ATOM   1750 C C   . ASN D 1 45 ? -4.619  6.893   33.060 1.00 30.64  ? 157 ASN D C   1 
ATOM   1751 O O   . ASN D 1 45 ? -5.088  6.644   34.164 1.00 34.22  ? 157 ASN D O   1 
ATOM   1752 C CB  . ASN D 1 45 ? -2.587  5.738   32.243 1.00 24.77  ? 157 ASN D CB  1 
ATOM   1753 C CG  . ASN D 1 45 ? -1.988  4.504   31.614 1.00 21.89  ? 157 ASN D CG  1 
ATOM   1754 O OD1 . ASN D 1 45 ? -2.690  3.535   31.320 1.00 22.61  ? 157 ASN D OD1 1 
ATOM   1755 N ND2 . ASN D 1 45 ? -0.680  4.527   31.425 1.00 25.34  ? 157 ASN D ND2 1 
ATOM   1756 N N   . VAL D 1 46 ? -4.532  8.131   32.568 1.00 33.42  ? 158 VAL D N   1 
ATOM   1757 C CA  . VAL D 1 46 ? -4.822  9.288   33.395 1.00 36.58  ? 158 VAL D CA  1 
ATOM   1758 C C   . VAL D 1 46 ? -6.325  9.591   33.371 1.00 32.15  ? 158 VAL D C   1 
ATOM   1759 O O   . VAL D 1 46 ? -6.862  10.039  34.379 1.00 29.75  ? 158 VAL D O   1 
ATOM   1760 C CB  . VAL D 1 46 ? -3.917  10.469  32.987 1.00 43.85  ? 158 VAL D CB  1 
ATOM   1761 C CG1 . VAL D 1 46 ? -4.381  11.796  33.565 1.00 59.36  ? 158 VAL D CG1 1 
ATOM   1762 C CG2 . VAL D 1 46 ? -2.483  10.199  33.447 1.00 52.33  ? 158 VAL D CG2 1 
ATOM   1763 N N   . LYS D 1 47 ? -7.033  9.355   32.260 1.00 28.50  ? 159 LYS D N   1 
ATOM   1764 C CA  . LYS D 1 47 ? -8.425  9.796   32.208 1.00 30.13  ? 159 LYS D CA  1 
ATOM   1765 C C   . LYS D 1 47 ? -9.413  8.731   32.684 1.00 29.04  ? 159 LYS D C   1 
ATOM   1766 O O   . LYS D 1 47 ? -10.518 9.070   33.090 1.00 29.54  ? 159 LYS D O   1 
ATOM   1767 C CB  . LYS D 1 47 ? -8.786  10.190  30.776 1.00 38.61  ? 159 LYS D CB  1 
ATOM   1768 C CG  . LYS D 1 47 ? -8.171  11.502  30.353 1.00 35.76  ? 159 LYS D CG  1 
ATOM   1769 C CD  . LYS D 1 47 ? -8.476  11.800  28.893 1.00 32.92  ? 159 LYS D CD  1 
ATOM   1770 C CE  . LYS D 1 47 ? -8.060  13.188  28.645 1.00 31.01  ? 159 LYS D CE  1 
ATOM   1771 N NZ  . LYS D 1 47 ? -7.921  13.510  27.251 1.00 28.17  ? 159 LYS D NZ  1 
ATOM   1772 N N   . CYS D 1 48 ? -9.081  7.444   32.523 1.00 28.03  ? 160 CYS D N   1 
ATOM   1773 C CA  . CYS D 1 48 ? -9.964  6.367   32.945 1.00 26.46  ? 160 CYS D CA  1 
ATOM   1774 C C   . CYS D 1 48 ? -9.133  5.228   33.532 1.00 28.36  ? 160 CYS D C   1 
ATOM   1775 O O   . CYS D 1 48 ? -9.132  4.125   33.021 1.00 24.48  ? 160 CYS D O   1 
ATOM   1776 C CB  . CYS D 1 48 ? -10.903 5.945   31.839 1.00 25.68  ? 160 CYS D CB  1 
ATOM   1777 S SG  . CYS D 1 48 ? -10.088 5.435   30.305 1.00 28.97  ? 160 CYS D SG  1 
ATOM   1778 N N   . PRO D 1 49 ? -8.361  5.477   34.609 1.00 27.98  ? 161 PRO D N   1 
ATOM   1779 C CA  . PRO D 1 49 ? -7.459  4.469   35.175 1.00 27.89  ? 161 PRO D CA  1 
ATOM   1780 C C   . PRO D 1 49 ? -8.127  3.158   35.560 1.00 32.50  ? 161 PRO D C   1 
ATOM   1781 O O   . PRO D 1 49 ? -7.527  2.093   35.383 1.00 34.35  ? 161 PRO D O   1 
ATOM   1782 C CB  . PRO D 1 49 ? -6.839  5.170   36.391 1.00 26.90  ? 161 PRO D CB  1 
ATOM   1783 C CG  . PRO D 1 49 ? -7.810  6.297   36.712 1.00 26.65  ? 161 PRO D CG  1 
ATOM   1784 C CD  . PRO D 1 49 ? -8.291  6.757   35.338 1.00 31.05  ? 161 PRO D CD  1 
ATOM   1785 N N   . GLN D 1 50 ? -9.361  3.211   36.106 1.00 28.33  ? 162 GLN D N   1 
ATOM   1786 C CA  . GLN D 1 50 ? -10.034 1.980   36.500 1.00 26.95  ? 162 GLN D CA  1 
ATOM   1787 C C   . GLN D 1 50 ? -10.439 1.161   35.279 1.00 27.03  ? 162 GLN D C   1 
ATOM   1788 O O   . GLN D 1 50 ? -10.527 -0.061  35.356 1.00 25.21  ? 162 GLN D O   1 
ATOM   1789 C CB  . GLN D 1 50 ? -11.210 2.231   37.441 1.00 30.13  ? 162 GLN D CB  1 
ATOM   1790 C CG  . GLN D 1 50 ? -10.842 2.897   38.773 1.00 28.94  ? 162 GLN D CG  1 
ATOM   1791 C CD  . GLN D 1 50 ? -9.646  2.291   39.492 1.00 29.04  ? 162 GLN D CD  1 
ATOM   1792 O OE1 . GLN D 1 50 ? -8.760  2.980   40.010 1.00 36.12  ? 162 GLN D OE1 1 
ATOM   1793 N NE2 . GLN D 1 50 ? -9.615  0.984   39.554 1.00 29.63  ? 162 GLN D NE2 1 
ATOM   1794 N N   . ILE D 1 51 ? -10.689 1.806   34.130 1.00 25.92  ? 163 ILE D N   1 
ATOM   1795 C CA  . ILE D 1 51 ? -11.020 1.044   32.925 1.00 26.51  ? 163 ILE D CA  1 
ATOM   1796 C C   . ILE D 1 51 ? -9.778  0.295   32.382 1.00 23.35  ? 163 ILE D C   1 
ATOM   1797 O O   . ILE D 1 51 ? -9.856  -0.861  31.950 1.00 24.89  ? 163 ILE D O   1 
ATOM   1798 C CB  . ILE D 1 51 ? -11.695 1.987   31.917 1.00 31.29  ? 163 ILE D CB  1 
ATOM   1799 C CG1 . ILE D 1 51 ? -13.129 2.311   32.452 1.00 38.95  ? 163 ILE D CG1 1 
ATOM   1800 C CG2 . ILE D 1 51 ? -11.710 1.425   30.500 1.00 28.02  ? 163 ILE D CG2 1 
ATOM   1801 C CD1 . ILE D 1 51 ? -14.061 2.993   31.474 1.00 39.55  ? 163 ILE D CD1 1 
ATOM   1802 N N   . VAL D 1 52 ? -8.627  0.946   32.492 1.00 24.24  ? 164 VAL D N   1 
ATOM   1803 C CA  . VAL D 1 52 ? -7.362  0.355   32.135 1.00 23.75  ? 164 VAL D CA  1 
ATOM   1804 C C   . VAL D 1 52 ? -7.083  -0.845  33.031 1.00 26.06  ? 164 VAL D C   1 
ATOM   1805 O O   . VAL D 1 52 ? -6.737  -1.902  32.525 1.00 27.22  ? 164 VAL D O   1 
ATOM   1806 C CB  . VAL D 1 52 ? -6.236  1.397   32.235 1.00 22.42  ? 164 VAL D CB  1 
ATOM   1807 C CG1 . VAL D 1 52 ? -4.857  0.772   32.040 1.00 22.38  ? 164 VAL D CG1 1 
ATOM   1808 C CG2 . VAL D 1 52 ? -6.432  2.555   31.250 1.00 20.58  ? 164 VAL D CG2 1 
ATOM   1809 N N   . ILE D 1 53 ? -7.256  -0.676  34.348 1.00 31.04  ? 165 ILE D N   1 
ATOM   1810 C CA  . ILE D 1 53 ? -6.964  -1.708  35.336 1.00 27.47  ? 165 ILE D CA  1 
ATOM   1811 C C   . ILE D 1 53 ? -7.852  -2.924  35.107 1.00 28.24  ? 165 ILE D C   1 
ATOM   1812 O O   . ILE D 1 53 ? -7.361  -4.062  35.109 1.00 28.06  ? 165 ILE D O   1 
ATOM   1813 C CB  . ILE D 1 53 ? -7.037  -1.146  36.761 1.00 28.84  ? 165 ILE D CB  1 
ATOM   1814 C CG1 . ILE D 1 53 ? -5.841  -0.235  37.036 1.00 29.49  ? 165 ILE D CG1 1 
ATOM   1815 C CG2 . ILE D 1 53 ? -7.165  -2.230  37.823 1.00 33.31  ? 165 ILE D CG2 1 
ATOM   1816 C CD1 . ILE D 1 53 ? -5.929  0.565   38.339 1.00 29.86  ? 165 ILE D CD1 1 
ATOM   1817 N N   . ALA D 1 54 ? -9.138  -2.682  34.840 1.00 27.40  ? 166 ALA D N   1 
ATOM   1818 C CA  . ALA D 1 54 ? -10.059 -3.770  34.584 1.00 27.44  ? 166 ALA D CA  1 
ATOM   1819 C C   . ALA D 1 54 ? -9.620  -4.561  33.355 1.00 31.11  ? 166 ALA D C   1 
ATOM   1820 O O   . ALA D 1 54 ? -9.703  -5.776  33.352 1.00 34.17  ? 166 ALA D O   1 
ATOM   1821 C CB  . ALA D 1 54 ? -11.471 -3.207  34.433 1.00 29.77  ? 166 ALA D CB  1 
ATOM   1822 N N   . PHE D 1 55 ? -9.126  -3.889  32.309 1.00 28.79  ? 167 PHE D N   1 
ATOM   1823 C CA  . PHE D 1 55 ? -8.639  -4.581  31.128 1.00 29.03  ? 167 PHE D CA  1 
ATOM   1824 C C   . PHE D 1 55 ? -7.471  -5.478  31.518 1.00 34.24  ? 167 PHE D C   1 
ATOM   1825 O O   . PHE D 1 55 ? -7.431  -6.633  31.102 1.00 31.08  ? 167 PHE D O   1 
ATOM   1826 C CB  . PHE D 1 55 ? -8.192  -3.606  30.033 1.00 29.27  ? 167 PHE D CB  1 
ATOM   1827 C CG  . PHE D 1 55 ? -7.345  -4.232  28.938 1.00 25.75  ? 167 PHE D CG  1 
ATOM   1828 C CD1 . PHE D 1 55 ? -7.923  -5.049  27.948 1.00 28.23  ? 167 PHE D CD1 1 
ATOM   1829 C CD2 . PHE D 1 55 ? -5.982  -3.985  28.882 1.00 25.13  ? 167 PHE D CD2 1 
ATOM   1830 C CE1 . PHE D 1 55 ? -7.128  -5.593  26.928 1.00 29.78  ? 167 PHE D CE1 1 
ATOM   1831 C CE2 . PHE D 1 55 ? -5.197  -4.538  27.882 1.00 24.31  ? 167 PHE D CE2 1 
ATOM   1832 C CZ  . PHE D 1 55 ? -5.753  -5.318  26.899 1.00 27.31  ? 167 PHE D CZ  1 
ATOM   1833 N N   . TYR D 1 56 ? -6.511  -4.958  32.301 1.00 31.93  ? 168 TYR D N   1 
ATOM   1834 C CA  . TYR D 1 56 ? -5.341  -5.755  32.629 1.00 32.52  ? 168 TYR D CA  1 
ATOM   1835 C C   . TYR D 1 56 ? -5.727  -6.935  33.537 1.00 36.80  ? 168 TYR D C   1 
ATOM   1836 O O   . TYR D 1 56 ? -5.241  -8.059  33.377 1.00 28.80  ? 168 TYR D O   1 
ATOM   1837 C CB  . TYR D 1 56 ? -4.324  -4.834  33.288 1.00 29.01  ? 168 TYR D CB  1 
ATOM   1838 C CG  . TYR D 1 56 ? -3.502  -3.951  32.380 1.00 25.46  ? 168 TYR D CG  1 
ATOM   1839 C CD1 . TYR D 1 56 ? -2.830  -4.461  31.268 1.00 29.92  ? 168 TYR D CD1 1 
ATOM   1840 C CD2 . TYR D 1 56 ? -3.346  -2.616  32.674 1.00 27.18  ? 168 TYR D CD2 1 
ATOM   1841 C CE1 . TYR D 1 56 ? -2.051  -3.640  30.450 1.00 29.60  ? 168 TYR D CE1 1 
ATOM   1842 C CE2 . TYR D 1 56 ? -2.523  -1.793  31.913 1.00 31.97  ? 168 TYR D CE2 1 
ATOM   1843 C CZ  . TYR D 1 56 ? -1.891  -2.305  30.785 1.00 27.66  ? 168 TYR D CZ  1 
ATOM   1844 O OH  . TYR D 1 56 ? -1.080  -1.461  30.108 1.00 24.70  ? 168 TYR D OH  1 
ATOM   1845 N N   . GLU D 1 57 ? -6.632  -6.691  34.489 1.00 37.35  ? 169 GLU D N   1 
ATOM   1846 C CA  . GLU D 1 57 ? -7.025  -7.727  35.436 1.00 38.37  ? 169 GLU D CA  1 
ATOM   1847 C C   . GLU D 1 57 ? -7.760  -8.857  34.721 1.00 39.90  ? 169 GLU D C   1 
ATOM   1848 O O   . GLU D 1 57 ? -7.558  -10.018 35.047 1.00 43.89  ? 169 GLU D O   1 
ATOM   1849 C CB  . GLU D 1 57 ? -7.879  -7.233  36.602 1.00 42.64  ? 169 GLU D CB  1 
ATOM   1850 C CG  . GLU D 1 57 ? -7.094  -6.337  37.548 1.00 42.79  ? 169 GLU D CG  1 
ATOM   1851 C CD  . GLU D 1 57 ? -7.745  -6.036  38.885 1.00 44.45  ? 169 GLU D CD  1 
ATOM   1852 O OE1 . GLU D 1 57 ? -8.896  -6.379  39.039 1.00 39.49  ? 169 GLU D OE1 1 
ATOM   1853 O OE2 . GLU D 1 57 ? -7.039  -5.527  39.772 1.00 51.54  ? 169 GLU D OE2 1 
ATOM   1854 N N   . GLU D 1 58 ? -8.596  -8.513  33.747 1.00 38.37  ? 170 GLU D N   1 
ATOM   1855 C CA  . GLU D 1 58 ? -9.300  -9.514  32.972 1.00 50.93  ? 170 GLU D CA  1 
ATOM   1856 C C   . GLU D 1 58 ? -8.326  -10.320 32.117 1.00 53.59  ? 170 GLU D C   1 
ATOM   1857 O O   . GLU D 1 58 ? -8.515  -11.515 31.971 1.00 59.11  ? 170 GLU D O   1 
ATOM   1858 C CB  . GLU D 1 58 ? -10.420 -8.951  32.106 1.00 59.65  ? 170 GLU D CB  1 
ATOM   1859 C CG  . GLU D 1 58 ? -11.389 -10.054 31.686 1.00 66.03  ? 170 GLU D CG  1 
ATOM   1860 C CD  . GLU D 1 58 ? -12.730 -9.579  31.152 1.00 70.83  ? 170 GLU D CD  1 
ATOM   1861 O OE1 . GLU D 1 58 ? -13.708 -9.600  31.925 1.00 63.35  ? 170 GLU D OE1 1 
ATOM   1862 O OE2 . GLU D 1 58 ? -12.802 -9.205  29.966 1.00 77.34  ? 170 GLU D OE2 1 
ATOM   1863 N N   . ARG D 1 59 ? -7.278  -9.701  31.573 1.00 52.39  ? 171 ARG D N   1 
ATOM   1864 C CA  . ARG D 1 59 ? -6.324  -10.429 30.744 1.00 53.83  ? 171 ARG D CA  1 
ATOM   1865 C C   . ARG D 1 59 ? -5.397  -11.311 31.584 1.00 67.64  ? 171 ARG D C   1 
ATOM   1866 O O   . ARG D 1 59 ? -4.435  -11.842 31.051 1.00 80.70  ? 171 ARG D O   1 
ATOM   1867 C CB  . ARG D 1 59 ? -5.504  -9.483  29.858 1.00 52.25  ? 171 ARG D CB  1 
ATOM   1868 N N   . LEU D 1 60 ? -5.629  -11.454 32.897 1.00 70.30  ? 172 LEU D N   1 
ATOM   1869 C CA  . LEU D 1 60 ? -4.851  -12.318 33.776 1.00 77.85  ? 172 LEU D CA  1 
ATOM   1870 C C   . LEU D 1 60 ? -5.504  -13.706 33.891 1.00 92.48  ? 172 LEU D C   1 
ATOM   1871 O O   . LEU D 1 60 ? -6.668  -13.816 34.278 1.00 82.00  ? 172 LEU D O   1 
ATOM   1872 C CB  . LEU D 1 60 ? -4.759  -11.683 35.167 1.00 80.34  ? 172 LEU D CB  1 
ATOM   1873 C CG  . LEU D 1 60 ? -3.459  -10.969 35.545 1.00 79.46  ? 172 LEU D CG  1 
ATOM   1874 C CD1 . LEU D 1 60 ? -3.653  -10.281 36.894 1.00 66.77  ? 172 LEU D CD1 1 
ATOM   1875 C CD2 . LEU D 1 60 ? -2.283  -11.930 35.590 1.00 82.04  ? 172 LEU D CD2 1 
ATOM   1876 N N   . THR D 1 61 ? -4.702  -14.764 33.667 1.00 110.80 ? 173 THR D N   1 
ATOM   1877 C CA  . THR D 1 61 ? -5.137  -16.162 33.667 1.00 110.65 ? 173 THR D CA  1 
ATOM   1878 C C   . THR D 1 61 ? -6.622  -16.253 33.981 1.00 107.88 ? 173 THR D C   1 
ATOM   1879 O O   . THR D 1 61 ? -7.395  -16.512 33.031 1.00 93.89  ? 173 THR D O   1 
ATOM   1880 C CB  . THR D 1 61 ? -4.319  -17.028 34.640 1.00 106.45 ? 173 THR D CB  1 
ATOM   1881 O OG1 . THR D 1 61 ? -4.832  -16.866 35.961 1.00 105.27 ? 173 THR D OG1 1 
ATOM   1882 C CG2 . THR D 1 61 ? -2.824  -16.744 34.619 1.00 100.81 ? 173 THR D CG2 1 
HETATM 1883 O O   . HOH E 2 .  ? -2.563  31.369  28.742 1.00 58.43  ? 201 HOH A O   1 
HETATM 1884 O O   . HOH E 2 .  ? 14.820  24.039  22.859 1.00 44.12  ? 202 HOH A O   1 
HETATM 1885 O O   . HOH E 2 .  ? -6.172  25.140  16.560 1.00 44.19  ? 203 HOH A O   1 
HETATM 1886 O O   . HOH E 2 .  ? -4.627  25.389  24.344 1.00 36.55  ? 204 HOH A O   1 
HETATM 1887 O O   . HOH E 2 .  ? 17.293  17.954  18.914 1.00 28.94  ? 205 HOH A O   1 
HETATM 1888 O O   . HOH E 2 .  ? -3.629  27.805  22.703 1.00 51.03  ? 206 HOH A O   1 
HETATM 1889 O O   . HOH E 2 .  ? 7.879   18.568  25.335 1.00 22.94  ? 207 HOH A O   1 
HETATM 1890 O O   . HOH E 2 .  ? -2.952  19.777  30.492 1.00 41.04  ? 208 HOH A O   1 
HETATM 1891 O O   . HOH E 2 .  ? -16.380 21.556  24.403 1.00 66.08  ? 209 HOH A O   1 
HETATM 1892 O O   . HOH E 2 .  ? 0.553   16.049  12.145 1.00 32.25  ? 210 HOH A O   1 
HETATM 1893 O O   . HOH E 2 .  ? 18.794  20.343  24.152 1.00 47.79  ? 211 HOH A O   1 
HETATM 1894 O O   . HOH E 2 .  ? 8.508   20.778  27.127 1.00 36.80  ? 212 HOH A O   1 
HETATM 1895 O O   . HOH E 2 .  ? 12.211  28.193  17.829 1.00 27.02  ? 213 HOH A O   1 
HETATM 1896 O O   . HOH E 2 .  ? -4.231  20.503  16.637 1.00 33.54  ? 214 HOH A O   1 
HETATM 1897 O O   . HOH E 2 .  ? 14.306  16.850  26.354 1.00 44.85  ? 215 HOH A O   1 
HETATM 1898 O O   . HOH E 2 .  ? 1.154   12.825  9.835  1.00 50.16  ? 216 HOH A O   1 
HETATM 1899 O O   . HOH E 2 .  ? -5.474  21.645  18.742 1.00 34.45  ? 217 HOH A O   1 
HETATM 1900 O O   . HOH E 2 .  ? 6.912   29.364  18.455 1.00 44.47  ? 218 HOH A O   1 
HETATM 1901 O O   . HOH E 2 .  ? 5.179   20.282  10.065 1.00 44.28  ? 219 HOH A O   1 
HETATM 1902 O O   . HOH E 2 .  ? -8.165  16.647  21.372 1.00 36.53  ? 220 HOH A O   1 
HETATM 1903 O O   . HOH E 2 .  ? 15.481  20.457  23.876 1.00 44.48  ? 221 HOH A O   1 
HETATM 1904 O O   . HOH E 2 .  ? -3.306  9.639   15.495 1.00 32.55  ? 222 HOH A O   1 
HETATM 1905 O O   . HOH E 2 .  ? 16.595  26.153  20.677 1.00 45.72  ? 223 HOH A O   1 
HETATM 1906 O O   . HOH E 2 .  ? -5.328  13.913  31.317 1.00 38.67  ? 224 HOH A O   1 
HETATM 1907 O O   A HOH E 2 .  ? 8.652   26.898  20.900 0.50 10.96  ? 225 HOH A O   1 
HETATM 1908 O O   B HOH E 2 .  ? 8.342   26.148  21.893 0.50 14.75  ? 225 HOH A O   1 
HETATM 1909 O O   . HOH E 2 .  ? -9.772  20.862  32.052 1.00 52.89  ? 226 HOH A O   1 
HETATM 1910 O O   . HOH E 2 .  ? -8.196  14.556  32.354 1.00 56.50  ? 227 HOH A O   1 
HETATM 1911 O O   . HOH E 2 .  ? 4.237   15.744  32.557 1.00 51.04  ? 228 HOH A O   1 
HETATM 1912 O O   . HOH E 2 .  ? 3.009   16.882  7.916  1.00 53.94  ? 229 HOH A O   1 
HETATM 1913 O O   . HOH E 2 .  ? -6.536  19.354  15.064 1.00 70.20  ? 230 HOH A O   1 
HETATM 1914 O O   . HOH E 2 .  ? 9.812   28.701  19.166 1.00 48.56  ? 231 HOH A O   1 
HETATM 1915 O O   . HOH F 2 .  ? 15.948  17.159  8.595  1.00 21.98  ? 201 HOH B O   1 
HETATM 1916 O O   . HOH F 2 .  ? 27.301  23.578  16.538 1.00 47.05  ? 202 HOH B O   1 
HETATM 1917 O O   . HOH F 2 .  ? 15.144  10.738  10.290 1.00 46.49  ? 203 HOH B O   1 
HETATM 1918 O O   . HOH F 2 .  ? 6.563   16.385  14.717 1.00 29.44  ? 204 HOH B O   1 
HETATM 1919 O O   . HOH F 2 .  ? 32.826  16.487  6.251  1.00 42.77  ? 205 HOH B O   1 
HETATM 1920 O O   . HOH F 2 .  ? 10.125  13.783  8.051  1.00 36.15  ? 206 HOH B O   1 
HETATM 1921 O O   . HOH F 2 .  ? 18.991  25.274  21.534 1.00 40.96  ? 207 HOH B O   1 
HETATM 1922 O O   . HOH F 2 .  ? 21.959  28.326  7.514  1.00 46.25  ? 208 HOH B O   1 
HETATM 1923 O O   . HOH F 2 .  ? 24.082  18.831  -2.976 1.00 51.86  ? 209 HOH B O   1 
HETATM 1924 O O   . HOH F 2 .  ? 27.859  25.310  13.025 1.00 34.21  ? 210 HOH B O   1 
HETATM 1925 O O   . HOH F 2 .  ? 26.559  19.304  2.548  1.00 38.47  ? 211 HOH B O   1 
HETATM 1926 O O   . HOH F 2 .  ? 29.694  19.075  -3.073 1.00 52.06  ? 212 HOH B O   1 
HETATM 1927 O O   . HOH F 2 .  ? 9.422   19.590  9.747  1.00 37.22  ? 213 HOH B O   1 
HETATM 1928 O O   . HOH F 2 .  ? 23.385  17.494  24.352 1.00 48.64  ? 214 HOH B O   1 
HETATM 1929 O O   . HOH F 2 .  ? 19.800  9.560   6.582  1.00 33.50  ? 215 HOH B O   1 
HETATM 1930 O O   . HOH F 2 .  ? 26.003  26.408  6.530  1.00 34.63  ? 216 HOH B O   1 
HETATM 1931 O O   . HOH F 2 .  ? 4.983   17.313  9.046  1.00 47.01  ? 217 HOH B O   1 
HETATM 1932 O O   . HOH F 2 .  ? 30.142  24.565  -0.271 1.00 43.14  ? 218 HOH B O   1 
HETATM 1933 O O   . HOH F 2 .  ? 12.078  10.450  16.613 1.00 29.53  ? 219 HOH B O   1 
HETATM 1934 O O   . HOH F 2 .  ? 14.742  29.712  17.691 1.00 32.53  ? 220 HOH B O   1 
HETATM 1935 O O   . HOH F 2 .  ? 17.054  8.458   11.974 1.00 46.86  ? 221 HOH B O   1 
HETATM 1936 O O   . HOH F 2 .  ? 20.998  8.738   13.180 1.00 30.47  ? 222 HOH B O   1 
HETATM 1937 O O   . HOH F 2 .  ? 28.032  19.111  28.360 1.00 68.17  ? 223 HOH B O   1 
HETATM 1938 O O   . HOH F 2 .  ? 29.302  32.542  3.394  1.00 73.84  ? 224 HOH B O   1 
HETATM 1939 O O   . HOH G 2 .  ? -6.315  6.702   44.017 1.00 51.42  ? 201 HOH C O   1 
HETATM 1940 O O   . HOH G 2 .  ? 3.082   2.918   59.941 1.00 52.66  ? 202 HOH C O   1 
HETATM 1941 O O   . HOH G 2 .  ? -1.211  1.176   30.708 1.00 22.77  ? 203 HOH C O   1 
HETATM 1942 O O   . HOH G 2 .  ? 1.821   -14.135 39.414 1.00 29.55  ? 204 HOH C O   1 
HETATM 1943 O O   . HOH G 2 .  ? 1.580   4.311   35.720 1.00 44.12  ? 205 HOH C O   1 
HETATM 1944 O O   . HOH G 2 .  ? 3.774   -7.012  57.373 1.00 55.53  ? 206 HOH C O   1 
HETATM 1945 O O   . HOH G 2 .  ? 4.981   1.617   29.715 1.00 47.40  ? 207 HOH C O   1 
HETATM 1946 O O   . HOH G 2 .  ? -4.641  8.263   38.495 1.00 37.34  ? 208 HOH C O   1 
HETATM 1947 O O   . HOH G 2 .  ? -9.400  5.676   42.928 1.00 43.77  ? 209 HOH C O   1 
HETATM 1948 O O   . HOH G 2 .  ? 0.146   -6.985  31.846 1.00 43.49  ? 210 HOH C O   1 
HETATM 1949 O O   . HOH G 2 .  ? -8.113  -7.814  45.161 1.00 35.85  ? 211 HOH C O   1 
HETATM 1950 O O   . HOH G 2 .  ? 8.868   -1.559  27.350 1.00 57.41  ? 212 HOH C O   1 
HETATM 1951 O O   . HOH G 2 .  ? 4.681   -0.562  40.386 1.00 19.29  ? 213 HOH C O   1 
HETATM 1952 O O   . HOH G 2 .  ? -5.637  -5.188  51.696 1.00 60.17  ? 214 HOH C O   1 
HETATM 1953 O O   . HOH G 2 .  ? 4.254   -11.598 39.698 1.00 27.84  ? 215 HOH C O   1 
HETATM 1954 O O   . HOH G 2 .  ? 3.228   5.197   30.800 1.00 46.12  ? 216 HOH C O   1 
HETATM 1955 O O   . HOH G 2 .  ? -3.974  3.809   58.193 1.00 40.18  ? 217 HOH C O   1 
HETATM 1956 O O   . HOH G 2 .  ? -1.030  6.340   41.872 1.00 33.47  ? 218 HOH C O   1 
HETATM 1957 O O   . HOH G 2 .  ? -4.713  8.267   47.386 1.00 53.51  ? 219 HOH C O   1 
HETATM 1958 O O   . HOH G 2 .  ? 2.079   0.025   62.040 1.00 60.85  ? 220 HOH C O   1 
HETATM 1959 O O   . HOH H 2 .  ? -19.630 5.607   14.795 1.00 48.74  ? 201 HOH D O   1 
HETATM 1960 O O   . HOH H 2 .  ? -13.214 6.822   15.190 1.00 46.56  ? 202 HOH D O   1 
HETATM 1961 O O   . HOH H 2 .  ? -7.562  10.374  22.226 1.00 28.88  ? 203 HOH D O   1 
HETATM 1962 O O   . HOH H 2 .  ? -6.666  8.492   19.968 1.00 32.75  ? 204 HOH D O   1 
HETATM 1963 O O   . HOH H 2 .  ? -12.256 4.187   14.693 1.00 52.48  ? 205 HOH D O   1 
HETATM 1964 O O   . HOH H 2 .  ? -11.498 -6.535  27.121 1.00 36.53  ? 206 HOH D O   1 
HETATM 1965 O O   . HOH H 2 .  ? -4.556  9.281   22.445 1.00 21.70  ? 207 HOH D O   1 
HETATM 1966 O O   . HOH H 2 .  ? -17.573 0.570   31.725 1.00 38.80  ? 208 HOH D O   1 
HETATM 1967 O O   . HOH H 2 .  ? -7.517  14.024  23.283 1.00 26.85  ? 209 HOH D O   1 
HETATM 1968 O O   . HOH H 2 .  ? -14.367 11.600  25.509 1.00 56.99  ? 210 HOH D O   1 
HETATM 1969 O O   . HOH H 2 .  ? -20.874 5.925   17.040 1.00 43.69  ? 211 HOH D O   1 
HETATM 1970 O O   . HOH H 2 .  ? -10.542 14.188  27.071 1.00 34.56  ? 212 HOH D O   1 
HETATM 1971 O O   . HOH H 2 .  ? -17.381 2.630   20.919 1.00 36.01  ? 213 HOH D O   1 
HETATM 1972 O O   . HOH H 2 .  ? -14.659 9.954   23.446 1.00 36.84  ? 214 HOH D O   1 
HETATM 1973 O O   . HOH H 2 .  ? 0.827   5.336   25.495 1.00 26.04  ? 215 HOH D O   1 
HETATM 1974 O O   . HOH H 2 .  ? -15.300 -0.979  16.537 1.00 46.19  ? 216 HOH D O   1 
HETATM 1975 O O   . HOH H 2 .  ? -11.711 -2.157  30.265 1.00 23.45  ? 217 HOH D O   1 
HETATM 1976 O O   . HOH H 2 .  ? -11.664 -6.952  35.045 1.00 58.89  ? 218 HOH D O   1 
HETATM 1977 O O   . HOH H 2 .  ? -27.295 5.662   27.986 1.00 60.79  ? 219 HOH D O   1 
HETATM 1978 O O   . HOH H 2 .  ? -22.804 0.679   25.079 1.00 44.30  ? 220 HOH D O   1 
HETATM 1979 O O   . HOH H 2 .  ? 1.097   6.787   31.954 1.00 29.21  ? 221 HOH D O   1 
HETATM 1980 O O   . HOH H 2 .  ? -18.561 9.813   18.132 1.00 53.75  ? 222 HOH D O   1 
HETATM 1981 O O   . HOH H 2 .  ? -14.350 -1.944  31.548 1.00 42.21  ? 223 HOH D O   1 
HETATM 1982 O O   . HOH H 2 .  ? -11.535 -6.477  40.733 1.00 58.77  ? 224 HOH D O   1 
HETATM 1983 O O   . HOH H 2 .  ? -8.886  6.116   40.008 1.00 34.46  ? 225 HOH D O   1 
HETATM 1984 O O   . HOH H 2 .  ? -13.537 -7.743  25.378 1.00 4.81   ? 226 HOH D O   1 
HETATM 1985 O O   . HOH H 2 .  ? -13.153 -6.434  32.194 1.00 44.01  ? 227 HOH D O   1 
HETATM 1986 O O   A HOH H 2 .  ? -12.285 4.577   34.823 0.50 20.08  ? 228 HOH D O   1 
HETATM 1987 O O   B HOH H 2 .  ? -11.623 5.459   35.774 0.50 13.20  ? 228 HOH D O   1 
HETATM 1988 O O   . HOH H 2 .  ? -2.026  12.009  30.735 1.00 36.90  ? 229 HOH D O   1 
HETATM 1989 O O   . HOH H 2 .  ? -21.621 -3.065  24.580 1.00 69.82  ? 230 HOH D O   1 
HETATM 1990 O O   . HOH H 2 .  ? -21.287 6.104   31.707 1.00 53.84  ? 231 HOH D O   1 
HETATM 1991 O O   . HOH H 2 .  ? -5.408  9.546   17.422 1.00 33.28  ? 232 HOH D O   1 
# 
