data_8XAG
# 
_entry.id   8XAG 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.399 
_audit_conform.dict_location   http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic 
# 
loop_
_database_2.database_id 
_database_2.database_code 
_database_2.pdbx_database_accession 
_database_2.pdbx_DOI 
PDB   8XAG         pdb_00008xag 10.2210/pdb8xag/pdb 
WWPDB D_1300043028 ?            ?                   
# 
_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       2024-12-04 
# 
_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                        8XAG 
_pdbx_database_status.recvd_initial_deposition_date   2023-12-04 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    PDBJ 
_pdbx_database_status.process_site                    PDBJ 
_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_contact_author.id                 2 
_pdbx_contact_author.email              huangy@shsmu.edu.cn 
_pdbx_contact_author.name_first         Ying 
_pdbx_contact_author.name_last          Huang 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0002-2806-2874 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Liu, Y.'   1 ? 
'Huang, Y.' 2 ? 
# 
_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                   ? 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            'To Be Published' 
_citation.journal_id_ASTM           ? 
_citation.journal_id_CSD            0353 
_citation.journal_id_ISSN           ? 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            ? 
_citation.language                  ? 
_citation.page_first                ? 
_citation.page_last                 ? 
_citation.title                     
'Crystal structure of the chromodomain of Arabidopsis LHP1 in complex with histone H3.3K27me3 peptide' 
_citation.year                      ? 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      ? 
_citation.pdbx_database_id_PubMed   ? 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Liu, Y.'   1 ? 
primary 'Huang, Y.' 2 ? 
# 
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 'Chromo domain-containing protein LHP1' 7685.710 2   ? ? ? ? 
2 polymer syn 'histone H3.3K27me3 peptide'            875.025  2   ? ? ? ? 
3 water   nat water                                   18.015   177 ? ? ? ? 
# 
_entity_name_com.entity_id   2 
_entity_name_com.name        'Histone H3.2' 
# 
loop_
_entity_poly.entity_id 
_entity_poly.type 
_entity_poly.nstd_linkage 
_entity_poly.nstd_monomer 
_entity_poly.pdbx_seq_one_letter_code 
_entity_poly.pdbx_seq_one_letter_code_can 
_entity_poly.pdbx_strand_id 
_entity_poly.pdbx_target_identifier 
1 'polypeptide(L)' no no  GSERPKLDEGFYEIEAIRRKRVRKGKVQYLIKWRGWPETANTWEPLENLQSIADVIDAFEGSLKPG 
GSERPKLDEGFYEIEAIRRKRVRKGKVQYLIKWRGWPETANTWEPLENLQSIADVIDAFEGSLKPG A,B ? 
2 'polypeptide(L)' no yes 'AR(M3L)SAPTT'                                                     ARKSAPTT C,D ? 
# 
_pdbx_entity_nonpoly.entity_id   3 
_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  GLY n 
1 2  SER n 
1 3  GLU n 
1 4  ARG n 
1 5  PRO n 
1 6  LYS n 
1 7  LEU n 
1 8  ASP n 
1 9  GLU n 
1 10 GLY n 
1 11 PHE n 
1 12 TYR n 
1 13 GLU n 
1 14 ILE n 
1 15 GLU n 
1 16 ALA n 
1 17 ILE n 
1 18 ARG n 
1 19 ARG n 
1 20 LYS n 
1 21 ARG n 
1 22 VAL n 
1 23 ARG n 
1 24 LYS n 
1 25 GLY n 
1 26 LYS n 
1 27 VAL n 
1 28 GLN n 
1 29 TYR n 
1 30 LEU n 
1 31 ILE n 
1 32 LYS n 
1 33 TRP n 
1 34 ARG n 
1 35 GLY n 
1 36 TRP n 
1 37 PRO n 
1 38 GLU n 
1 39 THR n 
1 40 ALA n 
1 41 ASN n 
1 42 THR n 
1 43 TRP n 
1 44 GLU n 
1 45 PRO n 
1 46 LEU n 
1 47 GLU n 
1 48 ASN n 
1 49 LEU n 
1 50 GLN n 
1 51 SER n 
1 52 ILE n 
1 53 ALA n 
1 54 ASP n 
1 55 VAL n 
1 56 ILE n 
1 57 ASP n 
1 58 ALA n 
1 59 PHE n 
1 60 GLU n 
1 61 GLY n 
1 62 SER n 
1 63 LEU n 
1 64 LYS n 
1 65 PRO n 
1 66 GLY n 
2 1  ALA n 
2 2  ARG n 
2 3  M3L n 
2 4  SER n 
2 5  ALA n 
2 6  PRO n 
2 7  THR n 
2 8  THR 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                   66 
_entity_src_gen.gene_src_common_name               'thale cress' 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 LHP1 
_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      'Arabidopsis thaliana' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     3702 
_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                   ? 
# 
_pdbx_entity_src_syn.entity_id              2 
_pdbx_entity_src_syn.pdbx_src_id            1 
_pdbx_entity_src_syn.pdbx_alt_source_flag   sample 
_pdbx_entity_src_syn.pdbx_beg_seq_num       1 
_pdbx_entity_src_syn.pdbx_end_seq_num       8 
_pdbx_entity_src_syn.organism_scientific    'Arabidopsis thaliana' 
_pdbx_entity_src_syn.organism_common_name   'thale cress' 
_pdbx_entity_src_syn.ncbi_taxonomy_id       3702 
_pdbx_entity_src_syn.details                ? 
# 
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 
GLN 'L-peptide linking' y GLUTAMINE         ? 'C5 H10 N2 O3'   146.144 
GLU 'L-peptide linking' y 'GLUTAMIC ACID'   ? 'C5 H9 N O4'     147.129 
GLY 'peptide linking'   y GLYCINE           ? 'C2 H5 N O2'     75.067  
HOH non-polymer         . WATER             ? 'H2 O'           18.015  
ILE 'L-peptide linking' y ISOLEUCINE        ? 'C6 H13 N O2'    131.173 
LEU 'L-peptide linking' y LEUCINE           ? 'C6 H13 N O2'    131.173 
LYS 'L-peptide linking' y LYSINE            ? 'C6 H15 N2 O2 1' 147.195 
M3L 'L-peptide linking' n N-TRIMETHYLLYSINE ? 'C9 H21 N2 O2 1' 189.275 
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  GLY 1  97  ?   ?   ?   A . n 
A 1 2  SER 2  98  ?   ?   ?   A . n 
A 1 3  GLU 3  99  ?   ?   ?   A . n 
A 1 4  ARG 4  100 ?   ?   ?   A . n 
A 1 5  PRO 5  101 101 PRO PRO A . n 
A 1 6  LYS 6  102 102 LYS LYS A . n 
A 1 7  LEU 7  103 103 LEU LEU A . n 
A 1 8  ASP 8  104 104 ASP ASP A . n 
A 1 9  GLU 9  105 105 GLU GLU A . n 
A 1 10 GLY 10 106 106 GLY GLY A . n 
A 1 11 PHE 11 107 107 PHE PHE A . n 
A 1 12 TYR 12 108 108 TYR TYR A . n 
A 1 13 GLU 13 109 109 GLU GLU A . n 
A 1 14 ILE 14 110 110 ILE ILE A . n 
A 1 15 GLU 15 111 111 GLU GLU A . n 
A 1 16 ALA 16 112 112 ALA ALA A . n 
A 1 17 ILE 17 113 113 ILE ILE A . n 
A 1 18 ARG 18 114 114 ARG ARG A . n 
A 1 19 ARG 19 115 115 ARG ARG A . n 
A 1 20 LYS 20 116 116 LYS LYS A . n 
A 1 21 ARG 21 117 117 ARG ARG A . n 
A 1 22 VAL 22 118 118 VAL VAL A . n 
A 1 23 ARG 23 119 119 ARG ARG A . n 
A 1 24 LYS 24 120 120 LYS LYS A . n 
A 1 25 GLY 25 121 121 GLY GLY A . n 
A 1 26 LYS 26 122 122 LYS LYS A . n 
A 1 27 VAL 27 123 123 VAL VAL A . n 
A 1 28 GLN 28 124 124 GLN GLN A . n 
A 1 29 TYR 29 125 125 TYR TYR A . n 
A 1 30 LEU 30 126 126 LEU LEU A . n 
A 1 31 ILE 31 127 127 ILE ILE A . n 
A 1 32 LYS 32 128 128 LYS LYS A . n 
A 1 33 TRP 33 129 129 TRP TRP A . n 
A 1 34 ARG 34 130 130 ARG ARG A . n 
A 1 35 GLY 35 131 131 GLY GLY A . n 
A 1 36 TRP 36 132 132 TRP TRP A . n 
A 1 37 PRO 37 133 133 PRO PRO A . n 
A 1 38 GLU 38 134 134 GLU GLU A . n 
A 1 39 THR 39 135 135 THR THR A . n 
A 1 40 ALA 40 136 136 ALA ALA A . n 
A 1 41 ASN 41 137 137 ASN ASN A . n 
A 1 42 THR 42 138 138 THR THR A . n 
A 1 43 TRP 43 139 139 TRP TRP A . n 
A 1 44 GLU 44 140 140 GLU GLU A . n 
A 1 45 PRO 45 141 141 PRO PRO A . n 
A 1 46 LEU 46 142 142 LEU LEU A . n 
A 1 47 GLU 47 143 143 GLU GLU A . n 
A 1 48 ASN 48 144 144 ASN ASN A . n 
A 1 49 LEU 49 145 145 LEU LEU A . n 
A 1 50 GLN 50 146 146 GLN GLN A . n 
A 1 51 SER 51 147 147 SER SER A . n 
A 1 52 ILE 52 148 148 ILE ILE A . n 
A 1 53 ALA 53 149 149 ALA ALA A . n 
A 1 54 ASP 54 150 150 ASP ASP A . n 
A 1 55 VAL 55 151 151 VAL VAL A . n 
A 1 56 ILE 56 152 152 ILE ILE A . n 
A 1 57 ASP 57 153 153 ASP ASP A . n 
A 1 58 ALA 58 154 154 ALA ALA A . n 
A 1 59 PHE 59 155 155 PHE PHE A . n 
A 1 60 GLU 60 156 156 GLU GLU A . n 
A 1 61 GLY 61 157 157 GLY GLY A . n 
A 1 62 SER 62 158 158 SER SER A . n 
A 1 63 LEU 63 159 ?   ?   ?   A . n 
A 1 64 LYS 64 160 ?   ?   ?   A . n 
A 1 65 PRO 65 161 ?   ?   ?   A . n 
A 1 66 GLY 66 162 ?   ?   ?   A . n 
B 1 1  GLY 1  97  ?   ?   ?   B . n 
B 1 2  SER 2  98  ?   ?   ?   B . n 
B 1 3  GLU 3  99  ?   ?   ?   B . n 
B 1 4  ARG 4  100 ?   ?   ?   B . n 
B 1 5  PRO 5  101 101 PRO PRO B . n 
B 1 6  LYS 6  102 102 LYS LYS B . n 
B 1 7  LEU 7  103 103 LEU LEU B . n 
B 1 8  ASP 8  104 104 ASP ASP B . n 
B 1 9  GLU 9  105 105 GLU GLU B . n 
B 1 10 GLY 10 106 106 GLY GLY B . n 
B 1 11 PHE 11 107 107 PHE PHE B . n 
B 1 12 TYR 12 108 108 TYR TYR B . n 
B 1 13 GLU 13 109 109 GLU GLU B . n 
B 1 14 ILE 14 110 110 ILE ILE B . n 
B 1 15 GLU 15 111 111 GLU GLU B . n 
B 1 16 ALA 16 112 112 ALA ALA B . n 
B 1 17 ILE 17 113 113 ILE ILE B . n 
B 1 18 ARG 18 114 114 ARG ARG B . n 
B 1 19 ARG 19 115 115 ARG ARG B . n 
B 1 20 LYS 20 116 116 LYS LYS B . n 
B 1 21 ARG 21 117 117 ARG ARG B . n 
B 1 22 VAL 22 118 118 VAL VAL B . n 
B 1 23 ARG 23 119 119 ARG ARG B . n 
B 1 24 LYS 24 120 120 LYS LYS B . n 
B 1 25 GLY 25 121 121 GLY GLY B . n 
B 1 26 LYS 26 122 122 LYS LYS B . n 
B 1 27 VAL 27 123 123 VAL VAL B . n 
B 1 28 GLN 28 124 124 GLN GLN B . n 
B 1 29 TYR 29 125 125 TYR TYR B . n 
B 1 30 LEU 30 126 126 LEU LEU B . n 
B 1 31 ILE 31 127 127 ILE ILE B . n 
B 1 32 LYS 32 128 128 LYS LYS B . n 
B 1 33 TRP 33 129 129 TRP TRP B . n 
B 1 34 ARG 34 130 130 ARG ARG B . n 
B 1 35 GLY 35 131 131 GLY GLY B . n 
B 1 36 TRP 36 132 132 TRP TRP B . n 
B 1 37 PRO 37 133 133 PRO PRO B . n 
B 1 38 GLU 38 134 134 GLU GLU B . n 
B 1 39 THR 39 135 135 THR THR B . n 
B 1 40 ALA 40 136 136 ALA ALA B . n 
B 1 41 ASN 41 137 137 ASN ASN B . n 
B 1 42 THR 42 138 138 THR THR B . n 
B 1 43 TRP 43 139 139 TRP TRP B . n 
B 1 44 GLU 44 140 140 GLU GLU B . n 
B 1 45 PRO 45 141 141 PRO PRO B . n 
B 1 46 LEU 46 142 142 LEU LEU B . n 
B 1 47 GLU 47 143 143 GLU GLU B . n 
B 1 48 ASN 48 144 144 ASN ASN B . n 
B 1 49 LEU 49 145 145 LEU LEU B . n 
B 1 50 GLN 50 146 146 GLN GLN B . n 
B 1 51 SER 51 147 147 SER SER B . n 
B 1 52 ILE 52 148 148 ILE ILE B . n 
B 1 53 ALA 53 149 149 ALA ALA B . n 
B 1 54 ASP 54 150 150 ASP ASP B . n 
B 1 55 VAL 55 151 151 VAL VAL B . n 
B 1 56 ILE 56 152 152 ILE ILE B . n 
B 1 57 ASP 57 153 153 ASP ASP B . n 
B 1 58 ALA 58 154 154 ALA ALA B . n 
B 1 59 PHE 59 155 155 PHE PHE B . n 
B 1 60 GLU 60 156 156 GLU GLU B . n 
B 1 61 GLY 61 157 157 GLY GLY B . n 
B 1 62 SER 62 158 158 SER SER B . n 
B 1 63 LEU 63 159 ?   ?   ?   B . n 
B 1 64 LYS 64 160 ?   ?   ?   B . n 
B 1 65 PRO 65 161 ?   ?   ?   B . n 
B 1 66 GLY 66 162 ?   ?   ?   B . n 
C 2 1  ALA 1  25  25  ALA ALA C . n 
C 2 2  ARG 2  26  26  ARG ARG C . n 
C 2 3  M3L 3  27  27  M3L M3L C . n 
C 2 4  SER 4  28  28  SER SER C . n 
C 2 5  ALA 5  29  29  ALA ALA C . n 
C 2 6  PRO 6  30  30  PRO PRO C . n 
C 2 7  THR 7  31  31  THR THR C . n 
C 2 8  THR 8  32  32  THR THR C . n 
D 2 1  ALA 1  25  25  ALA ALA D . n 
D 2 2  ARG 2  26  26  ARG ARG D . n 
D 2 3  M3L 3  27  27  M3L M3L D . n 
D 2 4  SER 4  28  28  SER SER D . n 
D 2 5  ALA 5  29  29  ALA ALA D . n 
D 2 6  PRO 6  30  30  PRO PRO D . n 
D 2 7  THR 7  31  31  THR THR D . n 
D 2 8  THR 8  32  32  THR THR D . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        M3L 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   M3L 
_pdbx_entity_instance_feature.auth_asym_id   ? 
_pdbx_entity_instance_feature.auth_seq_num   ? 
_pdbx_entity_instance_feature.feature_type   'SUBJECT OF INVESTIGATION' 
_pdbx_entity_instance_feature.details        ? 
# 
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 3 HOH 1  201 108 HOH HOH A . 
E 3 HOH 2  202 141 HOH HOH A . 
E 3 HOH 3  203 131 HOH HOH A . 
E 3 HOH 4  204 121 HOH HOH A . 
E 3 HOH 5  205 75  HOH HOH A . 
E 3 HOH 6  206 84  HOH HOH A . 
E 3 HOH 7  207 164 HOH HOH A . 
E 3 HOH 8  208 78  HOH HOH A . 
E 3 HOH 9  209 8   HOH HOH A . 
E 3 HOH 10 210 35  HOH HOH A . 
E 3 HOH 11 211 90  HOH HOH A . 
E 3 HOH 12 212 107 HOH HOH A . 
E 3 HOH 13 213 36  HOH HOH A . 
E 3 HOH 14 214 81  HOH HOH A . 
E 3 HOH 15 215 110 HOH HOH A . 
E 3 HOH 16 216 10  HOH HOH A . 
E 3 HOH 17 217 156 HOH HOH A . 
E 3 HOH 18 218 65  HOH HOH A . 
E 3 HOH 19 219 159 HOH HOH A . 
E 3 HOH 20 220 83  HOH HOH A . 
E 3 HOH 21 221 4   HOH HOH A . 
E 3 HOH 22 222 9   HOH HOH A . 
E 3 HOH 23 223 177 HOH HOH A . 
E 3 HOH 24 224 12  HOH HOH A . 
E 3 HOH 25 225 45  HOH HOH A . 
E 3 HOH 26 226 87  HOH HOH A . 
E 3 HOH 27 227 64  HOH HOH A . 
E 3 HOH 28 228 102 HOH HOH A . 
E 3 HOH 29 229 7   HOH HOH A . 
E 3 HOH 30 230 21  HOH HOH A . 
E 3 HOH 31 231 18  HOH HOH A . 
E 3 HOH 32 232 100 HOH HOH A . 
E 3 HOH 33 233 57  HOH HOH A . 
E 3 HOH 34 234 154 HOH HOH A . 
E 3 HOH 35 235 145 HOH HOH A . 
E 3 HOH 36 236 148 HOH HOH A . 
E 3 HOH 37 237 68  HOH HOH A . 
E 3 HOH 38 238 22  HOH HOH A . 
E 3 HOH 39 239 40  HOH HOH A . 
E 3 HOH 40 240 29  HOH HOH A . 
E 3 HOH 41 241 70  HOH HOH A . 
E 3 HOH 42 242 58  HOH HOH A . 
E 3 HOH 43 243 14  HOH HOH A . 
E 3 HOH 44 244 149 HOH HOH A . 
E 3 HOH 45 245 98  HOH HOH A . 
E 3 HOH 46 246 42  HOH HOH A . 
E 3 HOH 47 247 99  HOH HOH A . 
E 3 HOH 48 248 158 HOH HOH A . 
E 3 HOH 49 249 19  HOH HOH A . 
E 3 HOH 50 250 160 HOH HOH A . 
E 3 HOH 51 251 80  HOH HOH A . 
E 3 HOH 52 252 28  HOH HOH A . 
E 3 HOH 53 253 120 HOH HOH A . 
E 3 HOH 54 254 116 HOH HOH A . 
E 3 HOH 55 255 79  HOH HOH A . 
E 3 HOH 56 256 166 HOH HOH A . 
E 3 HOH 57 257 167 HOH HOH A . 
E 3 HOH 58 258 26  HOH HOH A . 
E 3 HOH 59 259 20  HOH HOH A . 
E 3 HOH 60 260 142 HOH HOH A . 
E 3 HOH 61 261 140 HOH HOH A . 
E 3 HOH 62 262 150 HOH HOH A . 
E 3 HOH 63 263 136 HOH HOH A . 
E 3 HOH 64 264 176 HOH HOH A . 
E 3 HOH 65 265 86  HOH HOH A . 
E 3 HOH 66 266 56  HOH HOH A . 
E 3 HOH 67 267 134 HOH HOH A . 
E 3 HOH 68 268 115 HOH HOH A . 
E 3 HOH 69 269 11  HOH HOH A . 
E 3 HOH 70 270 168 HOH HOH A . 
E 3 HOH 71 271 175 HOH HOH A . 
E 3 HOH 72 272 3   HOH HOH A . 
E 3 HOH 73 273 67  HOH HOH A . 
E 3 HOH 74 274 128 HOH HOH A . 
E 3 HOH 75 275 2   HOH HOH A . 
F 3 HOH 1  201 69  HOH HOH B . 
F 3 HOH 2  202 157 HOH HOH B . 
F 3 HOH 3  203 34  HOH HOH B . 
F 3 HOH 4  204 132 HOH HOH B . 
F 3 HOH 5  205 31  HOH HOH B . 
F 3 HOH 6  206 144 HOH HOH B . 
F 3 HOH 7  207 48  HOH HOH B . 
F 3 HOH 8  208 133 HOH HOH B . 
F 3 HOH 9  209 89  HOH HOH B . 
F 3 HOH 10 210 76  HOH HOH B . 
F 3 HOH 11 211 74  HOH HOH B . 
F 3 HOH 12 212 123 HOH HOH B . 
F 3 HOH 13 213 15  HOH HOH B . 
F 3 HOH 14 214 85  HOH HOH B . 
F 3 HOH 15 215 126 HOH HOH B . 
F 3 HOH 16 216 55  HOH HOH B . 
F 3 HOH 17 217 24  HOH HOH B . 
F 3 HOH 18 218 51  HOH HOH B . 
F 3 HOH 19 219 104 HOH HOH B . 
F 3 HOH 20 220 105 HOH HOH B . 
F 3 HOH 21 221 27  HOH HOH B . 
F 3 HOH 22 222 94  HOH HOH B . 
F 3 HOH 23 223 109 HOH HOH B . 
F 3 HOH 24 224 52  HOH HOH B . 
F 3 HOH 25 225 73  HOH HOH B . 
F 3 HOH 26 226 93  HOH HOH B . 
F 3 HOH 27 227 30  HOH HOH B . 
F 3 HOH 28 228 61  HOH HOH B . 
F 3 HOH 29 229 103 HOH HOH B . 
F 3 HOH 30 230 71  HOH HOH B . 
F 3 HOH 31 231 82  HOH HOH B . 
F 3 HOH 32 232 17  HOH HOH B . 
F 3 HOH 33 233 59  HOH HOH B . 
F 3 HOH 34 234 91  HOH HOH B . 
F 3 HOH 35 235 39  HOH HOH B . 
F 3 HOH 36 236 54  HOH HOH B . 
F 3 HOH 37 237 49  HOH HOH B . 
F 3 HOH 38 238 137 HOH HOH B . 
F 3 HOH 39 239 172 HOH HOH B . 
F 3 HOH 40 240 151 HOH HOH B . 
F 3 HOH 41 241 152 HOH HOH B . 
F 3 HOH 42 242 135 HOH HOH B . 
F 3 HOH 43 243 124 HOH HOH B . 
F 3 HOH 44 244 63  HOH HOH B . 
F 3 HOH 45 245 143 HOH HOH B . 
F 3 HOH 46 246 165 HOH HOH B . 
F 3 HOH 47 247 111 HOH HOH B . 
F 3 HOH 48 248 25  HOH HOH B . 
F 3 HOH 49 249 66  HOH HOH B . 
F 3 HOH 50 250 118 HOH HOH B . 
F 3 HOH 51 251 147 HOH HOH B . 
F 3 HOH 52 252 112 HOH HOH B . 
F 3 HOH 53 253 6   HOH HOH B . 
F 3 HOH 54 254 106 HOH HOH B . 
F 3 HOH 55 255 113 HOH HOH B . 
F 3 HOH 56 256 127 HOH HOH B . 
F 3 HOH 57 257 101 HOH HOH B . 
F 3 HOH 58 258 1   HOH HOH B . 
F 3 HOH 59 259 138 HOH HOH B . 
F 3 HOH 60 260 88  HOH HOH B . 
F 3 HOH 61 261 169 HOH HOH B . 
F 3 HOH 62 262 96  HOH HOH B . 
F 3 HOH 63 263 163 HOH HOH B . 
F 3 HOH 64 264 60  HOH HOH B . 
F 3 HOH 65 265 139 HOH HOH B . 
F 3 HOH 66 266 153 HOH HOH B . 
F 3 HOH 67 267 38  HOH HOH B . 
F 3 HOH 68 268 92  HOH HOH B . 
F 3 HOH 69 269 170 HOH HOH B . 
F 3 HOH 70 270 161 HOH HOH B . 
F 3 HOH 71 271 5   HOH HOH B . 
F 3 HOH 72 272 119 HOH HOH B . 
F 3 HOH 73 273 114 HOH HOH B . 
F 3 HOH 74 274 171 HOH HOH B . 
F 3 HOH 75 275 130 HOH HOH B . 
F 3 HOH 76 276 23  HOH HOH B . 
G 3 HOH 1  101 117 HOH HOH C . 
G 3 HOH 2  102 16  HOH HOH C . 
G 3 HOH 3  103 33  HOH HOH C . 
G 3 HOH 4  104 53  HOH HOH C . 
G 3 HOH 5  105 44  HOH HOH C . 
G 3 HOH 6  106 47  HOH HOH C . 
G 3 HOH 7  107 50  HOH HOH C . 
G 3 HOH 8  108 174 HOH HOH C . 
G 3 HOH 9  109 95  HOH HOH C . 
G 3 HOH 10 110 72  HOH HOH C . 
G 3 HOH 11 111 125 HOH HOH C . 
G 3 HOH 12 112 173 HOH HOH C . 
G 3 HOH 13 113 162 HOH HOH C . 
G 3 HOH 14 114 37  HOH HOH C . 
G 3 HOH 15 115 155 HOH HOH C . 
G 3 HOH 16 116 129 HOH HOH C . 
H 3 HOH 1  101 41  HOH HOH D . 
H 3 HOH 2  102 13  HOH HOH D . 
H 3 HOH 3  103 62  HOH HOH D . 
H 3 HOH 4  104 32  HOH HOH D . 
H 3 HOH 5  105 122 HOH HOH D . 
H 3 HOH 6  106 77  HOH HOH D . 
H 3 HOH 7  107 43  HOH HOH D . 
H 3 HOH 8  108 46  HOH HOH D . 
H 3 HOH 9  109 146 HOH HOH D . 
H 3 HOH 10 110 97  HOH HOH D . 
# 
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       ? ? ? ? ? ? ? ? ? ? ? PHENIX   ? ? ? 1.20.1_4487 1 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? HKL-2000 ? ? ? .           2 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? HKL-2000 ? ? ? .           3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHASER   ? ? ? .           4 
# 
_cell.angle_alpha                  90.000 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.000 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.000 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     8XAG 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     65.370 
_cell.length_a_esd                 ? 
_cell.length_b                     90.623 
_cell.length_b_esd                 ? 
_cell.length_c                     63.574 
_cell.length_c_esd                 ? 
_cell.volume                       376613.998 
_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                         8XAG 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                21 
_symmetry.space_group_name_Hall            'C 2 2' 
_symmetry.space_group_name_H-M             'C 2 2 2' 
_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                   8XAG 
_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             2.75 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          55.27 
_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, HANGING 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    '0.1M Sodium citrate pH 5.6, 20% PEG 4000, 16% 2-propanol' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            290 
# 
_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                     CCD 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'ADSC QUANTUM 315' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2015-01-20 
_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   0.9793 
_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                      SYNCHROTRON 
_diffrn_source.target                      ? 
_diffrn_source.type                        'SSRF BEAMLINE BL18U1' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.9793 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   BL18U1 
_diffrn_source.pdbx_synchrotron_site       SSRF 
# 
_reflns.B_iso_Wilson_estimate                          22.70 
_reflns.entry_id                                       8XAG 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.75 
_reflns.d_resolution_low                               30 
_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                                     18308 
_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                           94.8 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                7.2 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          30.4 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               ? 
_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                                ? 
_reflns.pdbx_Rpim_I_all                                ? 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   ? 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.093 
_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                                    1.75 
_reflns_shell.d_res_low                                     1.81 
_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                             1707 
_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                               ? 
_reflns_shell.pdbx_chi_squared                              ? 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     ? 
_reflns_shell.pdbx_Rrim_I_all                               ? 
_reflns_shell.pdbx_Rpim_I_all                               ? 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  ? 
_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                                  0.483 
_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]                            ? 
_refine.aniso_B[1][2]                            ? 
_refine.aniso_B[1][3]                            ? 
_refine.aniso_B[2][2]                            ? 
_refine.aniso_B[2][3]                            ? 
_refine.aniso_B[3][3]                            ? 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               32.84 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               ? 
_refine.correlation_coeff_Fo_to_Fc_free          ? 
_refine.details                                  ? 
_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                                 8XAG 
_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                            1.75 
_refine.ls_d_res_low                             27.42 
_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                     18272 
_refine.ls_number_reflns_R_free                  1827 
_refine.ls_number_reflns_R_work                  16445 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    93.81 
_refine.ls_percent_reflns_R_free                 10.00 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.2297 
_refine.ls_R_factor_R_free                       0.2504 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.2274 
_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                    'FLAT BULK SOLVENT MODEL' 
_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                          1.38 
_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               'FREE R-VALUE' 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       'GeoStd + Monomer Library + CDL v1.2' 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       ? 
_refine.pdbx_overall_ESU_R_Free                  ? 
_refine.pdbx_solvent_vdw_probe_radii             1.1000 
_refine.pdbx_solvent_ion_probe_radii             ? 
_refine.pdbx_solvent_shrinkage_radii             0.9000 
_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                 30.5746 
_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                             ? 
_refine.overall_SU_ML                            0.2509 
_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                         LAST 
_refine_hist.details                          ? 
_refine_hist.d_res_high                       1.75 
_refine_hist.d_res_low                        27.42 
_refine_hist.number_atoms_solvent             177 
_refine_hist.number_atoms_total               1269 
_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        1092 
_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' ? 0.0028 ? 1116 ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 0.6506 ? 1508 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 0.0435 ? 156  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.0031 ? 190  ? f_plane_restr      ? ? 
'X-RAY DIFFRACTION' ? 6.4759 ? 154  ? f_dihedral_angle_d ? ? 
# 
loop_
_refine_ls_shell.pdbx_refine_id 
_refine_ls_shell.d_res_high 
_refine_ls_shell.d_res_low 
_refine_ls_shell.number_reflns_all 
_refine_ls_shell.number_reflns_obs 
_refine_ls_shell.number_reflns_R_free 
_refine_ls_shell.number_reflns_R_work 
_refine_ls_shell.percent_reflns_obs 
_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 
_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 
_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 
'X-RAY DIFFRACTION' 1.75 1.80  . . 116 1050 79.37 . . . . 0.3615 . . . . . . . . . . . 0.4048 
'X-RAY DIFFRACTION' 1.80 1.85  . . 138 1241 93.24 . . . . 0.3271 . . . . . . . . . . . 0.3537 
'X-RAY DIFFRACTION' 1.85 1.91  . . 142 1262 94.93 . . . . 0.3062 . . . . . . . . . . . 0.3487 
'X-RAY DIFFRACTION' 1.91 1.98  . . 140 1268 95.72 . . . . 0.2679 . . . . . . . . . . . 0.3165 
'X-RAY DIFFRACTION' 1.98 2.06  . . 141 1262 94.35 . . . . 0.2735 . . . . . . . . . . . 0.2681 
'X-RAY DIFFRACTION' 2.06 2.15  . . 138 1238 93.86 . . . . 0.2303 . . . . . . . . . . . 0.2865 
'X-RAY DIFFRACTION' 2.15 2.26  . . 142 1270 94.51 . . . . 0.2323 . . . . . . . . . . . 0.2664 
'X-RAY DIFFRACTION' 2.26 2.40  . . 138 1245 93.32 . . . . 0.2331 . . . . . . . . . . . 0.2745 
'X-RAY DIFFRACTION' 2.40 2.59  . . 138 1254 93.42 . . . . 0.2441 . . . . . . . . . . . 0.3041 
'X-RAY DIFFRACTION' 2.59 2.85  . . 142 1278 93.73 . . . . 0.2372 . . . . . . . . . . . 0.3072 
'X-RAY DIFFRACTION' 2.85 3.26  . . 144 1296 94.86 . . . . 0.2278 . . . . . . . . . . . 0.2252 
'X-RAY DIFFRACTION' 3.26 4.10  . . 148 1338 98.09 . . . . 0.1962 . . . . . . . . . . . 0.1955 
'X-RAY DIFFRACTION' 4.11 27.42 . . 160 1443 99.69 . . . . 0.1948 . . . . . . . . . . . 0.2095 
# 
_struct.entry_id                     8XAG 
_struct.title                        
'Crystal structure of the chromodomain of Arabidopsis LHP1 in complex with histone H3.3K27me3 peptide' 
_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        8XAG 
_struct_keywords.text            'LHP1, H3.3K27me3, GENE REGULATION' 
_struct_keywords.pdbx_keywords   'GENE REGULATION' 
# 
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 2 ? 
D N N 2 ? 
E N N 3 ? 
F N N 3 ? 
G N N 3 ? 
H N N 3 ? 
# 
loop_
_struct_ref.id 
_struct_ref.db_name 
_struct_ref.db_code 
_struct_ref.pdbx_db_accession 
_struct_ref.pdbx_db_isoform 
_struct_ref.entity_id 
_struct_ref.pdbx_seq_one_letter_code 
_struct_ref.pdbx_align_begin 
1 UNP LHP1_ARATH Q946J8 ? 1 ERPKLDEGFYEIEAIRRKRVRKGKVQYLIKWRGWPETANTWEPLENLQSIADVIDAFEGSLKPG 99 
2 UNP H33_ARATH  P59169 ? 2 ARKSAPTT                                                         26 
# 
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 8XAG A 3 ? 66 ? Q946J8 99 ? 162 ? 99 162 
2 1 8XAG B 3 ? 66 ? Q946J8 99 ? 162 ? 99 162 
3 2 8XAG C 1 ? 8  ? P59169 26 ? 33  ? 25 32  
4 2 8XAG D 1 ? 8  ? P59169 26 ? 33  ? 25 32  
# 
loop_
_struct_ref_seq_dif.align_id 
_struct_ref_seq_dif.pdbx_pdb_id_code 
_struct_ref_seq_dif.mon_id 
_struct_ref_seq_dif.pdbx_pdb_strand_id 
_struct_ref_seq_dif.seq_num 
_struct_ref_seq_dif.pdbx_pdb_ins_code 
_struct_ref_seq_dif.pdbx_seq_db_name 
_struct_ref_seq_dif.pdbx_seq_db_accession_code 
_struct_ref_seq_dif.db_mon_id 
_struct_ref_seq_dif.pdbx_seq_db_seq_num 
_struct_ref_seq_dif.details 
_struct_ref_seq_dif.pdbx_auth_seq_num 
_struct_ref_seq_dif.pdbx_ordinal 
1 8XAG GLY A 1 ? UNP Q946J8 ? ? 'expression tag' 97 1 
1 8XAG SER A 2 ? UNP Q946J8 ? ? 'expression tag' 98 2 
2 8XAG GLY B 1 ? UNP Q946J8 ? ? 'expression tag' 97 3 
2 8XAG SER B 2 ? UNP Q946J8 ? ? 'expression tag' 98 4 
# 
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)' 1120 ? 
1 MORE         -6   ? 
1 'SSA (A^2)'  5340 ? 
2 'ABSA (A^2)' 1110 ? 
2 MORE         -6   ? 
2 'SSA (A^2)'  5360 ? 
# 
loop_
_pdbx_struct_assembly_gen.assembly_id 
_pdbx_struct_assembly_gen.oper_expression 
_pdbx_struct_assembly_gen.asym_id_list 
1 1 A,C,E,G 
2 1 B,D,F,H 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   'isothermal titration calorimetry' 
_pdbx_struct_assembly_auth_evidence.details                ? 
# 
_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 PRO A 37 ? ASN A 41 ? PRO A 133 ASN A 137 5 ? 5  
HELX_P HELX_P2 AA2 LEU A 46 ? GLN A 50 ? LEU A 142 GLN A 146 1 ? 5  
HELX_P HELX_P3 AA3 SER A 51 ? SER A 62 ? SER A 147 SER A 158 1 ? 12 
HELX_P HELX_P4 AA4 PRO B 37 ? ASN B 41 ? PRO B 133 ASN B 137 5 ? 5  
HELX_P HELX_P5 AA5 LEU B 46 ? GLN B 50 ? LEU B 142 GLN B 146 1 ? 5  
HELX_P HELX_P6 AA6 SER B 51 ? GLY B 61 ? SER B 147 GLY B 157 1 ? 11 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
loop_
_struct_conn.id 
_struct_conn.conn_type_id 
_struct_conn.pdbx_leaving_atom_flag 
_struct_conn.pdbx_PDB_id 
_struct_conn.ptnr1_label_asym_id 
_struct_conn.ptnr1_label_comp_id 
_struct_conn.ptnr1_label_seq_id 
_struct_conn.ptnr1_label_atom_id 
_struct_conn.pdbx_ptnr1_label_alt_id 
_struct_conn.pdbx_ptnr1_PDB_ins_code 
_struct_conn.pdbx_ptnr1_standard_comp_id 
_struct_conn.ptnr1_symmetry 
_struct_conn.ptnr2_label_asym_id 
_struct_conn.ptnr2_label_comp_id 
_struct_conn.ptnr2_label_seq_id 
_struct_conn.ptnr2_label_atom_id 
_struct_conn.pdbx_ptnr2_label_alt_id 
_struct_conn.pdbx_ptnr2_PDB_ins_code 
_struct_conn.ptnr1_auth_asym_id 
_struct_conn.ptnr1_auth_comp_id 
_struct_conn.ptnr1_auth_seq_id 
_struct_conn.ptnr2_auth_asym_id 
_struct_conn.ptnr2_auth_comp_id 
_struct_conn.ptnr2_auth_seq_id 
_struct_conn.ptnr2_symmetry 
_struct_conn.pdbx_ptnr3_label_atom_id 
_struct_conn.pdbx_ptnr3_label_seq_id 
_struct_conn.pdbx_ptnr3_label_comp_id 
_struct_conn.pdbx_ptnr3_label_asym_id 
_struct_conn.pdbx_ptnr3_label_alt_id 
_struct_conn.pdbx_ptnr3_PDB_ins_code 
_struct_conn.details 
_struct_conn.pdbx_dist_value 
_struct_conn.pdbx_value_order 
_struct_conn.pdbx_role 
covale1 covale both ? C ARG 2 C ? ? ? 1_555 C M3L 3 N ? ? C ARG 26 C M3L 27 1_555 ? ? ? ? ? ? ? 1.326 ? ? 
covale2 covale both ? C M3L 3 C ? ? ? 1_555 C SER 4 N ? ? C M3L 27 C SER 28 1_555 ? ? ? ? ? ? ? 1.330 ? ? 
covale3 covale both ? D ARG 2 C ? ? ? 1_555 D M3L 3 N ? ? D ARG 26 D M3L 27 1_555 ? ? ? ? ? ? ? 1.328 ? ? 
covale4 covale both ? D M3L 3 C ? ? ? 1_555 D SER 4 N ? ? D M3L 27 D SER 28 1_555 ? ? ? ? ? ? ? 1.330 ? ? 
# 
_struct_conn_type.id          covale 
_struct_conn_type.criteria    ? 
_struct_conn_type.reference   ? 
# 
loop_
_pdbx_modification_feature.ordinal 
_pdbx_modification_feature.label_comp_id 
_pdbx_modification_feature.label_asym_id 
_pdbx_modification_feature.label_seq_id 
_pdbx_modification_feature.label_alt_id 
_pdbx_modification_feature.modified_residue_label_comp_id 
_pdbx_modification_feature.modified_residue_label_asym_id 
_pdbx_modification_feature.modified_residue_label_seq_id 
_pdbx_modification_feature.modified_residue_label_alt_id 
_pdbx_modification_feature.auth_comp_id 
_pdbx_modification_feature.auth_asym_id 
_pdbx_modification_feature.auth_seq_id 
_pdbx_modification_feature.PDB_ins_code 
_pdbx_modification_feature.symmetry 
_pdbx_modification_feature.modified_residue_auth_comp_id 
_pdbx_modification_feature.modified_residue_auth_asym_id 
_pdbx_modification_feature.modified_residue_auth_seq_id 
_pdbx_modification_feature.modified_residue_PDB_ins_code 
_pdbx_modification_feature.modified_residue_symmetry 
_pdbx_modification_feature.comp_id_linking_atom 
_pdbx_modification_feature.modified_residue_id_linking_atom 
_pdbx_modification_feature.modified_residue_id 
_pdbx_modification_feature.ref_pcm_id 
_pdbx_modification_feature.ref_comp_id 
_pdbx_modification_feature.type 
_pdbx_modification_feature.category 
1 M3L C 3 ? . . . . M3L C 27 ? 1_555 . . . . . . . LYS 1 M3L Methylation 'Named protein modification' 
2 M3L D 3 ? . . . . M3L D 27 ? 1_555 . . . . . . . LYS 1 M3L Methylation 'Named protein modification' 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 3 ? 
AA2 ? 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 
# 
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 ILE A 14 ? ARG A 23 ? ILE A 110 ARG A 119 
AA1 2 LYS A 26 ? TRP A 33 ? LYS A 122 TRP A 129 
AA1 3 THR A 42 ? PRO A 45 ? THR A 138 PRO A 141 
AA2 1 ILE B 14 ? ARG B 23 ? ILE B 110 ARG B 119 
AA2 2 LYS B 26 ? TRP B 33 ? LYS B 122 TRP B 129 
AA2 3 THR B 42 ? PRO B 45 ? THR B 138 PRO B 141 
# 
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 ARG A 18 ? N ARG A 114 O LEU A 30 ? O LEU A 126 
AA1 2 3 N ILE A 31 ? N ILE A 127 O THR A 42 ? O THR A 138 
AA2 1 2 N ARG B 18 ? N ARG B 114 O LEU B 30 ? O LEU B 126 
AA2 2 3 N ILE B 31 ? N ILE B 127 O THR B 42 ? O THR B 138 
# 
_pdbx_entry_details.entry_id                   8XAG 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.has_protein_modification   Y 
# 
loop_
_pdbx_validate_close_contact.id 
_pdbx_validate_close_contact.PDB_model_num 
_pdbx_validate_close_contact.auth_atom_id_1 
_pdbx_validate_close_contact.auth_asym_id_1 
_pdbx_validate_close_contact.auth_comp_id_1 
_pdbx_validate_close_contact.auth_seq_id_1 
_pdbx_validate_close_contact.PDB_ins_code_1 
_pdbx_validate_close_contact.label_alt_id_1 
_pdbx_validate_close_contact.auth_atom_id_2 
_pdbx_validate_close_contact.auth_asym_id_2 
_pdbx_validate_close_contact.auth_comp_id_2 
_pdbx_validate_close_contact.auth_seq_id_2 
_pdbx_validate_close_contact.PDB_ins_code_2 
_pdbx_validate_close_contact.label_alt_id_2 
_pdbx_validate_close_contact.dist 
1 1 O A HOH 212 ? ? O A HOH 257 ? ? 1.91 
2 1 O A HOH 219 ? ? O A HOH 264 ? ? 1.93 
3 1 O A HOH 271 ? ? O A HOH 274 ? ? 2.12 
4 1 O B HOH 251 ? ? O B HOH 266 ? ? 2.14 
# 
_pdbx_validate_symm_contact.id                1 
_pdbx_validate_symm_contact.PDB_model_num     1 
_pdbx_validate_symm_contact.auth_atom_id_1    O 
_pdbx_validate_symm_contact.auth_asym_id_1    A 
_pdbx_validate_symm_contact.auth_comp_id_1    HOH 
_pdbx_validate_symm_contact.auth_seq_id_1     238 
_pdbx_validate_symm_contact.PDB_ins_code_1    ? 
_pdbx_validate_symm_contact.label_alt_id_1    ? 
_pdbx_validate_symm_contact.site_symmetry_1   1_555 
_pdbx_validate_symm_contact.auth_atom_id_2    O 
_pdbx_validate_symm_contact.auth_asym_id_2    B 
_pdbx_validate_symm_contact.auth_comp_id_2    HOH 
_pdbx_validate_symm_contact.auth_seq_id_2     206 
_pdbx_validate_symm_contact.PDB_ins_code_2    ? 
_pdbx_validate_symm_contact.label_alt_id_2    ? 
_pdbx_validate_symm_contact.site_symmetry_2   6_445 
_pdbx_validate_symm_contact.dist              2.13 
# 
loop_
_pdbx_struct_mod_residue.id 
_pdbx_struct_mod_residue.label_asym_id 
_pdbx_struct_mod_residue.label_comp_id 
_pdbx_struct_mod_residue.label_seq_id 
_pdbx_struct_mod_residue.auth_asym_id 
_pdbx_struct_mod_residue.auth_comp_id 
_pdbx_struct_mod_residue.auth_seq_id 
_pdbx_struct_mod_residue.PDB_ins_code 
_pdbx_struct_mod_residue.parent_comp_id 
_pdbx_struct_mod_residue.details 
1 C M3L 3 C M3L 27 ? LYS 'modified residue' 
2 D M3L 3 D M3L 27 ? LYS 'modified residue' 
# 
_pdbx_struct_special_symmetry.id              1 
_pdbx_struct_special_symmetry.PDB_model_num   1 
_pdbx_struct_special_symmetry.auth_asym_id    A 
_pdbx_struct_special_symmetry.auth_comp_id    HOH 
_pdbx_struct_special_symmetry.auth_seq_id     209 
_pdbx_struct_special_symmetry.PDB_ins_code    ? 
_pdbx_struct_special_symmetry.label_asym_id   E 
_pdbx_struct_special_symmetry.label_comp_id   HOH 
_pdbx_struct_special_symmetry.label_seq_id    . 
# 
loop_
_space_group_symop.id 
_space_group_symop.operation_xyz 
1 x,y,z           
2 x,-y,-z         
3 -x,y,-z         
4 -x,-y,z         
5 x+1/2,y+1/2,z   
6 x+1/2,-y+1/2,-z 
7 -x+1/2,y+1/2,-z 
8 -x+1/2,-y+1/2,z 
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
1  1 Y 1 A GLY 97  ? A GLY 1  
2  1 Y 1 A SER 98  ? A SER 2  
3  1 Y 1 A GLU 99  ? A GLU 3  
4  1 Y 1 A ARG 100 ? A ARG 4  
5  1 Y 1 A LEU 159 ? A LEU 63 
6  1 Y 1 A LYS 160 ? A LYS 64 
7  1 Y 1 A PRO 161 ? A PRO 65 
8  1 Y 1 A GLY 162 ? A GLY 66 
9  1 Y 1 B GLY 97  ? B GLY 1  
10 1 Y 1 B SER 98  ? B SER 2  
11 1 Y 1 B GLU 99  ? B GLU 3  
12 1 Y 1 B ARG 100 ? B ARG 4  
13 1 Y 1 B LEU 159 ? B LEU 63 
14 1 Y 1 B LYS 160 ? B LYS 64 
15 1 Y 1 B PRO 161 ? B PRO 65 
16 1 Y 1 B GLY 162 ? B GLY 66 
# 
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  
GLN N    N N N 74  
GLN CA   C N S 75  
GLN C    C N N 76  
GLN O    O N N 77  
GLN CB   C N N 78  
GLN CG   C N N 79  
GLN CD   C N N 80  
GLN OE1  O N N 81  
GLN NE2  N N N 82  
GLN OXT  O N N 83  
GLN H    H N N 84  
GLN H2   H N N 85  
GLN HA   H N N 86  
GLN HB2  H N N 87  
GLN HB3  H N N 88  
GLN HG2  H N N 89  
GLN HG3  H N N 90  
GLN HE21 H N N 91  
GLN HE22 H N N 92  
GLN HXT  H N N 93  
GLU N    N N N 94  
GLU CA   C N S 95  
GLU C    C N N 96  
GLU O    O N N 97  
GLU CB   C N N 98  
GLU CG   C N N 99  
GLU CD   C N N 100 
GLU OE1  O N N 101 
GLU OE2  O N N 102 
GLU OXT  O N N 103 
GLU H    H N N 104 
GLU H2   H N N 105 
GLU HA   H N N 106 
GLU HB2  H N N 107 
GLU HB3  H N N 108 
GLU HG2  H N N 109 
GLU HG3  H N N 110 
GLU HE2  H N N 111 
GLU HXT  H N N 112 
GLY N    N N N 113 
GLY CA   C N N 114 
GLY C    C N N 115 
GLY O    O N N 116 
GLY OXT  O N N 117 
GLY H    H N N 118 
GLY H2   H N N 119 
GLY HA2  H N N 120 
GLY HA3  H N N 121 
GLY HXT  H N N 122 
HOH O    O N N 123 
HOH H1   H N N 124 
HOH H2   H N N 125 
ILE N    N N N 126 
ILE CA   C N S 127 
ILE C    C N N 128 
ILE O    O N N 129 
ILE CB   C N S 130 
ILE CG1  C N N 131 
ILE CG2  C N N 132 
ILE CD1  C N N 133 
ILE OXT  O N N 134 
ILE H    H N N 135 
ILE H2   H N N 136 
ILE HA   H N N 137 
ILE HB   H N N 138 
ILE HG12 H N N 139 
ILE HG13 H N N 140 
ILE HG21 H N N 141 
ILE HG22 H N N 142 
ILE HG23 H N N 143 
ILE HD11 H N N 144 
ILE HD12 H N N 145 
ILE HD13 H N N 146 
ILE HXT  H N N 147 
LEU N    N N N 148 
LEU CA   C N S 149 
LEU C    C N N 150 
LEU O    O N N 151 
LEU CB   C N N 152 
LEU CG   C N N 153 
LEU CD1  C N N 154 
LEU CD2  C N N 155 
LEU OXT  O N N 156 
LEU H    H N N 157 
LEU H2   H N N 158 
LEU HA   H N N 159 
LEU HB2  H N N 160 
LEU HB3  H N N 161 
LEU HG   H N N 162 
LEU HD11 H N N 163 
LEU HD12 H N N 164 
LEU HD13 H N N 165 
LEU HD21 H N N 166 
LEU HD22 H N N 167 
LEU HD23 H N N 168 
LEU HXT  H N N 169 
LYS N    N N N 170 
LYS CA   C N S 171 
LYS C    C N N 172 
LYS O    O N N 173 
LYS CB   C N N 174 
LYS CG   C N N 175 
LYS CD   C N N 176 
LYS CE   C N N 177 
LYS NZ   N N N 178 
LYS OXT  O N N 179 
LYS H    H N N 180 
LYS H2   H N N 181 
LYS HA   H N N 182 
LYS HB2  H N N 183 
LYS HB3  H N N 184 
LYS HG2  H N N 185 
LYS HG3  H N N 186 
LYS HD2  H N N 187 
LYS HD3  H N N 188 
LYS HE2  H N N 189 
LYS HE3  H N N 190 
LYS HZ1  H N N 191 
LYS HZ2  H N N 192 
LYS HZ3  H N N 193 
LYS HXT  H N N 194 
M3L N    N N N 195 
M3L CA   C N S 196 
M3L CB   C N N 197 
M3L CG   C N N 198 
M3L CD   C N N 199 
M3L CE   C N N 200 
M3L NZ   N N N 201 
M3L C    C N N 202 
M3L O    O N N 203 
M3L OXT  O N N 204 
M3L CM1  C N N 205 
M3L CM2  C N N 206 
M3L CM3  C N N 207 
M3L H    H N N 208 
M3L H2   H N N 209 
M3L HA   H N N 210 
M3L HB2  H N N 211 
M3L HB3  H N N 212 
M3L HG2  H N N 213 
M3L HG3  H N N 214 
M3L HD2  H N N 215 
M3L HD3  H N N 216 
M3L HE2  H N N 217 
M3L HE3  H N N 218 
M3L HXT  H N N 219 
M3L HM11 H N N 220 
M3L HM12 H N N 221 
M3L HM13 H N N 222 
M3L HM21 H N N 223 
M3L HM22 H N N 224 
M3L HM23 H N N 225 
M3L HM31 H N N 226 
M3L HM32 H N N 227 
M3L HM33 H N N 228 
PHE N    N N N 229 
PHE CA   C N S 230 
PHE C    C N N 231 
PHE O    O N N 232 
PHE CB   C N N 233 
PHE CG   C Y N 234 
PHE CD1  C Y N 235 
PHE CD2  C Y N 236 
PHE CE1  C Y N 237 
PHE CE2  C Y N 238 
PHE CZ   C Y N 239 
PHE OXT  O N N 240 
PHE H    H N N 241 
PHE H2   H N N 242 
PHE HA   H N N 243 
PHE HB2  H N N 244 
PHE HB3  H N N 245 
PHE HD1  H N N 246 
PHE HD2  H N N 247 
PHE HE1  H N N 248 
PHE HE2  H N N 249 
PHE HZ   H N N 250 
PHE HXT  H N N 251 
PRO N    N N N 252 
PRO CA   C N S 253 
PRO C    C N N 254 
PRO O    O N N 255 
PRO CB   C N N 256 
PRO CG   C N N 257 
PRO CD   C N N 258 
PRO OXT  O N N 259 
PRO H    H N N 260 
PRO HA   H N N 261 
PRO HB2  H N N 262 
PRO HB3  H N N 263 
PRO HG2  H N N 264 
PRO HG3  H N N 265 
PRO HD2  H N N 266 
PRO HD3  H N N 267 
PRO HXT  H N N 268 
SER N    N N N 269 
SER CA   C N S 270 
SER C    C N N 271 
SER O    O N N 272 
SER CB   C N N 273 
SER OG   O N N 274 
SER OXT  O N N 275 
SER H    H N N 276 
SER H2   H N N 277 
SER HA   H N N 278 
SER HB2  H N N 279 
SER HB3  H N N 280 
SER HG   H N N 281 
SER HXT  H N N 282 
THR N    N N N 283 
THR CA   C N S 284 
THR C    C N N 285 
THR O    O N N 286 
THR CB   C N R 287 
THR OG1  O N N 288 
THR CG2  C N N 289 
THR OXT  O N N 290 
THR H    H N N 291 
THR H2   H N N 292 
THR HA   H N N 293 
THR HB   H N N 294 
THR HG1  H N N 295 
THR HG21 H N N 296 
THR HG22 H N N 297 
THR HG23 H N N 298 
THR HXT  H N N 299 
TRP N    N N N 300 
TRP CA   C N S 301 
TRP C    C N N 302 
TRP O    O N N 303 
TRP CB   C N N 304 
TRP CG   C Y N 305 
TRP CD1  C Y N 306 
TRP CD2  C Y N 307 
TRP NE1  N Y N 308 
TRP CE2  C Y N 309 
TRP CE3  C Y N 310 
TRP CZ2  C Y N 311 
TRP CZ3  C Y N 312 
TRP CH2  C Y N 313 
TRP OXT  O N N 314 
TRP H    H N N 315 
TRP H2   H N N 316 
TRP HA   H N N 317 
TRP HB2  H N N 318 
TRP HB3  H N N 319 
TRP HD1  H N N 320 
TRP HE1  H N N 321 
TRP HE3  H N N 322 
TRP HZ2  H N N 323 
TRP HZ3  H N N 324 
TRP HH2  H N N 325 
TRP HXT  H N N 326 
TYR N    N N N 327 
TYR CA   C N S 328 
TYR C    C N N 329 
TYR O    O N N 330 
TYR CB   C N N 331 
TYR CG   C Y N 332 
TYR CD1  C Y N 333 
TYR CD2  C Y N 334 
TYR CE1  C Y N 335 
TYR CE2  C Y N 336 
TYR CZ   C Y N 337 
TYR OH   O N N 338 
TYR OXT  O N N 339 
TYR H    H N N 340 
TYR H2   H N N 341 
TYR HA   H N N 342 
TYR HB2  H N N 343 
TYR HB3  H N N 344 
TYR HD1  H N N 345 
TYR HD2  H N N 346 
TYR HE1  H N N 347 
TYR HE2  H N N 348 
TYR HH   H N N 349 
TYR HXT  H N N 350 
VAL N    N N N 351 
VAL CA   C N S 352 
VAL C    C N N 353 
VAL O    O N N 354 
VAL CB   C N N 355 
VAL CG1  C N N 356 
VAL CG2  C N N 357 
VAL OXT  O N N 358 
VAL H    H N N 359 
VAL H2   H N N 360 
VAL HA   H N N 361 
VAL HB   H N N 362 
VAL HG11 H N N 363 
VAL HG12 H N N 364 
VAL HG13 H N N 365 
VAL HG21 H N N 366 
VAL HG22 H N N 367 
VAL HG23 H N N 368 
VAL HXT  H N N 369 
# 
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  
GLN N   CA   sing N N 70  
GLN N   H    sing N N 71  
GLN N   H2   sing N N 72  
GLN CA  C    sing N N 73  
GLN CA  CB   sing N N 74  
GLN CA  HA   sing N N 75  
GLN C   O    doub N N 76  
GLN C   OXT  sing N N 77  
GLN CB  CG   sing N N 78  
GLN CB  HB2  sing N N 79  
GLN CB  HB3  sing N N 80  
GLN CG  CD   sing N N 81  
GLN CG  HG2  sing N N 82  
GLN CG  HG3  sing N N 83  
GLN CD  OE1  doub N N 84  
GLN CD  NE2  sing N N 85  
GLN NE2 HE21 sing N N 86  
GLN NE2 HE22 sing N N 87  
GLN OXT HXT  sing N N 88  
GLU N   CA   sing N N 89  
GLU N   H    sing N N 90  
GLU N   H2   sing N N 91  
GLU CA  C    sing N N 92  
GLU CA  CB   sing N N 93  
GLU CA  HA   sing N N 94  
GLU C   O    doub N N 95  
GLU C   OXT  sing N N 96  
GLU CB  CG   sing N N 97  
GLU CB  HB2  sing N N 98  
GLU CB  HB3  sing N N 99  
GLU CG  CD   sing N N 100 
GLU CG  HG2  sing N N 101 
GLU CG  HG3  sing N N 102 
GLU CD  OE1  doub N N 103 
GLU CD  OE2  sing N N 104 
GLU OE2 HE2  sing N N 105 
GLU OXT HXT  sing N N 106 
GLY N   CA   sing N N 107 
GLY N   H    sing N N 108 
GLY N   H2   sing N N 109 
GLY CA  C    sing N N 110 
GLY CA  HA2  sing N N 111 
GLY CA  HA3  sing N N 112 
GLY C   O    doub N N 113 
GLY C   OXT  sing N N 114 
GLY OXT HXT  sing N N 115 
HOH O   H1   sing N N 116 
HOH O   H2   sing N N 117 
ILE N   CA   sing N N 118 
ILE N   H    sing N N 119 
ILE N   H2   sing N N 120 
ILE CA  C    sing N N 121 
ILE CA  CB   sing N N 122 
ILE CA  HA   sing N N 123 
ILE C   O    doub N N 124 
ILE C   OXT  sing N N 125 
ILE CB  CG1  sing N N 126 
ILE CB  CG2  sing N N 127 
ILE CB  HB   sing N N 128 
ILE CG1 CD1  sing N N 129 
ILE CG1 HG12 sing N N 130 
ILE CG1 HG13 sing N N 131 
ILE CG2 HG21 sing N N 132 
ILE CG2 HG22 sing N N 133 
ILE CG2 HG23 sing N N 134 
ILE CD1 HD11 sing N N 135 
ILE CD1 HD12 sing N N 136 
ILE CD1 HD13 sing N N 137 
ILE OXT HXT  sing N N 138 
LEU N   CA   sing N N 139 
LEU N   H    sing N N 140 
LEU N   H2   sing N N 141 
LEU CA  C    sing N N 142 
LEU CA  CB   sing N N 143 
LEU CA  HA   sing N N 144 
LEU C   O    doub N N 145 
LEU C   OXT  sing N N 146 
LEU CB  CG   sing N N 147 
LEU CB  HB2  sing N N 148 
LEU CB  HB3  sing N N 149 
LEU CG  CD1  sing N N 150 
LEU CG  CD2  sing N N 151 
LEU CG  HG   sing N N 152 
LEU CD1 HD11 sing N N 153 
LEU CD1 HD12 sing N N 154 
LEU CD1 HD13 sing N N 155 
LEU CD2 HD21 sing N N 156 
LEU CD2 HD22 sing N N 157 
LEU CD2 HD23 sing N N 158 
LEU OXT HXT  sing N N 159 
LYS N   CA   sing N N 160 
LYS N   H    sing N N 161 
LYS N   H2   sing N N 162 
LYS CA  C    sing N N 163 
LYS CA  CB   sing N N 164 
LYS CA  HA   sing N N 165 
LYS C   O    doub N N 166 
LYS C   OXT  sing N N 167 
LYS CB  CG   sing N N 168 
LYS CB  HB2  sing N N 169 
LYS CB  HB3  sing N N 170 
LYS CG  CD   sing N N 171 
LYS CG  HG2  sing N N 172 
LYS CG  HG3  sing N N 173 
LYS CD  CE   sing N N 174 
LYS CD  HD2  sing N N 175 
LYS CD  HD3  sing N N 176 
LYS CE  NZ   sing N N 177 
LYS CE  HE2  sing N N 178 
LYS CE  HE3  sing N N 179 
LYS NZ  HZ1  sing N N 180 
LYS NZ  HZ2  sing N N 181 
LYS NZ  HZ3  sing N N 182 
LYS OXT HXT  sing N N 183 
M3L N   CA   sing N N 184 
M3L N   H    sing N N 185 
M3L N   H2   sing N N 186 
M3L CA  CB   sing N N 187 
M3L CA  C    sing N N 188 
M3L CA  HA   sing N N 189 
M3L CB  CG   sing N N 190 
M3L CB  HB2  sing N N 191 
M3L CB  HB3  sing N N 192 
M3L CG  CD   sing N N 193 
M3L CG  HG2  sing N N 194 
M3L CG  HG3  sing N N 195 
M3L CD  CE   sing N N 196 
M3L CD  HD2  sing N N 197 
M3L CD  HD3  sing N N 198 
M3L CE  NZ   sing N N 199 
M3L CE  HE2  sing N N 200 
M3L CE  HE3  sing N N 201 
M3L NZ  CM1  sing N N 202 
M3L NZ  CM2  sing N N 203 
M3L NZ  CM3  sing N N 204 
M3L C   O    doub N N 205 
M3L C   OXT  sing N N 206 
M3L OXT HXT  sing N N 207 
M3L CM1 HM11 sing N N 208 
M3L CM1 HM12 sing N N 209 
M3L CM1 HM13 sing N N 210 
M3L CM2 HM21 sing N N 211 
M3L CM2 HM22 sing N N 212 
M3L CM2 HM23 sing N N 213 
M3L CM3 HM31 sing N N 214 
M3L CM3 HM32 sing N N 215 
M3L CM3 HM33 sing N N 216 
PHE N   CA   sing N N 217 
PHE N   H    sing N N 218 
PHE N   H2   sing N N 219 
PHE CA  C    sing N N 220 
PHE CA  CB   sing N N 221 
PHE CA  HA   sing N N 222 
PHE C   O    doub N N 223 
PHE C   OXT  sing N N 224 
PHE CB  CG   sing N N 225 
PHE CB  HB2  sing N N 226 
PHE CB  HB3  sing N N 227 
PHE CG  CD1  doub Y N 228 
PHE CG  CD2  sing Y N 229 
PHE CD1 CE1  sing Y N 230 
PHE CD1 HD1  sing N N 231 
PHE CD2 CE2  doub Y N 232 
PHE CD2 HD2  sing N N 233 
PHE CE1 CZ   doub Y N 234 
PHE CE1 HE1  sing N N 235 
PHE CE2 CZ   sing Y N 236 
PHE CE2 HE2  sing N N 237 
PHE CZ  HZ   sing N N 238 
PHE OXT HXT  sing N N 239 
PRO N   CA   sing N N 240 
PRO N   CD   sing N N 241 
PRO N   H    sing N N 242 
PRO CA  C    sing N N 243 
PRO CA  CB   sing N N 244 
PRO CA  HA   sing N N 245 
PRO C   O    doub N N 246 
PRO C   OXT  sing N N 247 
PRO CB  CG   sing N N 248 
PRO CB  HB2  sing N N 249 
PRO CB  HB3  sing N N 250 
PRO CG  CD   sing N N 251 
PRO CG  HG2  sing N N 252 
PRO CG  HG3  sing N N 253 
PRO CD  HD2  sing N N 254 
PRO CD  HD3  sing N N 255 
PRO OXT HXT  sing N N 256 
SER N   CA   sing N N 257 
SER N   H    sing N N 258 
SER N   H2   sing N N 259 
SER CA  C    sing N N 260 
SER CA  CB   sing N N 261 
SER CA  HA   sing N N 262 
SER C   O    doub N N 263 
SER C   OXT  sing N N 264 
SER CB  OG   sing N N 265 
SER CB  HB2  sing N N 266 
SER CB  HB3  sing N N 267 
SER OG  HG   sing N N 268 
SER OXT HXT  sing N N 269 
THR N   CA   sing N N 270 
THR N   H    sing N N 271 
THR N   H2   sing N N 272 
THR CA  C    sing N N 273 
THR CA  CB   sing N N 274 
THR CA  HA   sing N N 275 
THR C   O    doub N N 276 
THR C   OXT  sing N N 277 
THR CB  OG1  sing N N 278 
THR CB  CG2  sing N N 279 
THR CB  HB   sing N N 280 
THR OG1 HG1  sing N N 281 
THR CG2 HG21 sing N N 282 
THR CG2 HG22 sing N N 283 
THR CG2 HG23 sing N N 284 
THR OXT HXT  sing N N 285 
TRP N   CA   sing N N 286 
TRP N   H    sing N N 287 
TRP N   H2   sing N N 288 
TRP CA  C    sing N N 289 
TRP CA  CB   sing N N 290 
TRP CA  HA   sing N N 291 
TRP C   O    doub N N 292 
TRP C   OXT  sing N N 293 
TRP CB  CG   sing N N 294 
TRP CB  HB2  sing N N 295 
TRP CB  HB3  sing N N 296 
TRP CG  CD1  doub Y N 297 
TRP CG  CD2  sing Y N 298 
TRP CD1 NE1  sing Y N 299 
TRP CD1 HD1  sing N N 300 
TRP CD2 CE2  doub Y N 301 
TRP CD2 CE3  sing Y N 302 
TRP NE1 CE2  sing Y N 303 
TRP NE1 HE1  sing N N 304 
TRP CE2 CZ2  sing Y N 305 
TRP CE3 CZ3  doub Y N 306 
TRP CE3 HE3  sing N N 307 
TRP CZ2 CH2  doub Y N 308 
TRP CZ2 HZ2  sing N N 309 
TRP CZ3 CH2  sing Y N 310 
TRP CZ3 HZ3  sing N N 311 
TRP CH2 HH2  sing N N 312 
TRP OXT HXT  sing N N 313 
TYR N   CA   sing N N 314 
TYR N   H    sing N N 315 
TYR N   H2   sing N N 316 
TYR CA  C    sing N N 317 
TYR CA  CB   sing N N 318 
TYR CA  HA   sing N N 319 
TYR C   O    doub N N 320 
TYR C   OXT  sing N N 321 
TYR CB  CG   sing N N 322 
TYR CB  HB2  sing N N 323 
TYR CB  HB3  sing N N 324 
TYR CG  CD1  doub Y N 325 
TYR CG  CD2  sing Y N 326 
TYR CD1 CE1  sing Y N 327 
TYR CD1 HD1  sing N N 328 
TYR CD2 CE2  doub Y N 329 
TYR CD2 HD2  sing N N 330 
TYR CE1 CZ   doub Y N 331 
TYR CE1 HE1  sing N N 332 
TYR CE2 CZ   sing Y N 333 
TYR CE2 HE2  sing N N 334 
TYR CZ  OH   sing N N 335 
TYR OH  HH   sing N N 336 
TYR OXT HXT  sing N N 337 
VAL N   CA   sing N N 338 
VAL N   H    sing N N 339 
VAL N   H2   sing N N 340 
VAL CA  C    sing N N 341 
VAL CA  CB   sing N N 342 
VAL CA  HA   sing N N 343 
VAL C   O    doub N N 344 
VAL C   OXT  sing N N 345 
VAL CB  CG1  sing N N 346 
VAL CB  CG2  sing N N 347 
VAL CB  HB   sing N N 348 
VAL CG1 HG11 sing N N 349 
VAL CG1 HG12 sing N N 350 
VAL CG1 HG13 sing N N 351 
VAL CG2 HG21 sing N N 352 
VAL CG2 HG22 sing N N 353 
VAL CG2 HG23 sing N N 354 
VAL OXT HXT  sing N N 355 
# 
_pdbx_audit_support.funding_organization   'National Natural Science Foundation of China (NSFC)' 
_pdbx_audit_support.country                China 
_pdbx_audit_support.grant_number           32171186 
_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   4MN3 
_pdbx_initial_refinement_model.details          ? 
# 
_space_group.name_H-M_alt     'C 2 2 2' 
_space_group.name_Hall        'C 2 2' 
_space_group.IT_number        21 
_space_group.crystal_system   orthorhombic 
_space_group.id               1 
# 
_atom_sites.entry_id                    8XAG 
_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]   0.015298 
_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]   0.011035 
_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]   0.015730 
_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 
_atom_type.scat_dispersion_real 
_atom_type.scat_dispersion_imag 
_atom_type.scat_Cromer_Mann_a1 
_atom_type.scat_Cromer_Mann_a2 
_atom_type.scat_Cromer_Mann_a3 
_atom_type.scat_Cromer_Mann_a4 
_atom_type.scat_Cromer_Mann_b1 
_atom_type.scat_Cromer_Mann_b2 
_atom_type.scat_Cromer_Mann_b3 
_atom_type.scat_Cromer_Mann_b4 
_atom_type.scat_Cromer_Mann_c 
_atom_type.scat_source 
_atom_type.scat_dispersion_source 
C   ? ? 3.54356 2.42580 ? ? 25.62398 1.50364  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
N   ? ? 4.01032 2.96436 ? ? 19.97189 1.75589  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
O   ? ? 4.49882 3.47563 ? ? 15.80542 1.70748  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
O1- ? ? 5.12366 3.84317 ? ? 3.49406  27.47979 ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
# 
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   . PRO A 1 5  ? -9.13587  -2.26611  6.53856  1.000 77.95041 ?  101 PRO A N   1 
ATOM   2    C CA  . PRO A 1 5  ? -10.40653 -1.80913  7.11270  1.000 74.12734 ?  101 PRO A CA  1 
ATOM   3    C C   . PRO A 1 5  ? -11.40950 -2.94181  7.32780  1.000 67.13041 ?  101 PRO A C   1 
ATOM   4    O O   . PRO A 1 5  ? -12.59301 -2.67422  7.53294  1.000 60.89041 ?  101 PRO A O   1 
ATOM   5    C CB  . PRO A 1 5  ? -10.93046 -0.81700  6.06650  1.000 77.77318 ?  101 PRO A CB  1 
ATOM   6    C CG  . PRO A 1 5  ? -10.20769 -1.16092  4.80584  1.000 80.68298 ?  101 PRO A CG  1 
ATOM   7    C CD  . PRO A 1 5  ? -8.86031  -1.63854  5.23602  1.000 82.16041 ?  101 PRO A CD  1 
ATOM   8    N N   . LYS A 1 6  ? -10.94375 -4.18797  7.28684  1.000 60.82511 ?  102 LYS A N   1 
ATOM   9    C CA  . LYS A 1 6  ? -11.83605 -5.33141  7.42696  1.000 40.51041 ?  102 LYS A CA  1 
ATOM   10   C C   . LYS A 1 6  ? -12.21990 -5.53947  8.88770  1.000 33.74767 ?  102 LYS A C   1 
ATOM   11   O O   . LYS A 1 6  ? -11.36516 -5.49939  9.77844  1.000 34.40259 ?  102 LYS A O   1 
ATOM   12   C CB  . LYS A 1 6  ? -11.18413 -6.59108  6.85900  1.000 46.80705 ?  102 LYS A CB  1 
ATOM   13   C CG  . LYS A 1 6  ? -11.13717 -6.61978  5.33987  1.000 49.62319 ?  102 LYS A CG  1 
ATOM   14   C CD  . LYS A 1 6  ? -10.34743 -7.81173  4.82846  1.000 55.53859 ?  102 LYS A CD  1 
ATOM   15   C CE  . LYS A 1 6  ? -10.41485 -7.90650  3.31194  1.000 64.84488 ?  102 LYS A CE  1 
ATOM   16   N NZ  . LYS A 1 6  ? -9.80525  -9.16892  2.80881  1.000 65.63939 ?  102 LYS A NZ  1 
ATOM   17   N N   . LEU A 1 7  ? -13.50905 -5.77297  9.12501  1.000 31.75999 ?  103 LEU A N   1 
ATOM   18   C CA  . LEU A 1 7  ? -14.05236 -5.89239  10.47065 1.000 24.98445 ?  103 LEU A CA  1 
ATOM   19   C C   . LEU A 1 7  ? -13.92702 -7.31162  11.00535 1.000 30.05414 ?  103 LEU A C   1 
ATOM   20   O O   . LEU A 1 7  ? -14.09406 -8.28649  10.26753 1.000 26.23029 ?  103 LEU A O   1 
ATOM   21   C CB  . LEU A 1 7  ? -15.52758 -5.48966  10.49208 1.000 28.71641 ?  103 LEU A CB  1 
ATOM   22   C CG  . LEU A 1 7  ? -15.91905 -4.03091  10.28853 1.000 37.81736 ?  103 LEU A CG  1 
ATOM   23   C CD1 . LEU A 1 7  ? -17.42734 -3.88457  10.40178 1.000 31.21524 ?  103 LEU A CD1 1 
ATOM   24   C CD2 . LEU A 1 7  ? -15.22209 -3.16578  11.31760 1.000 35.08414 ?  103 LEU A CD2 1 
ATOM   25   N N   . ASP A 1 8  ? -13.64029 -7.41680  12.30050 1.000 22.39440 ?  104 ASP A N   1 
ATOM   26   C CA  . ASP A 1 8  ? -13.91137 -8.65180  13.02144 1.000 22.42535 ?  104 ASP A CA  1 
ATOM   27   C C   . ASP A 1 8  ? -15.40263 -8.95457  12.94324 1.000 21.90253 ?  104 ASP A C   1 
ATOM   28   O O   . ASP A 1 8  ? -16.24148 -8.05978  13.07730 1.000 26.42994 ?  104 ASP A O   1 
ATOM   29   C CB  . ASP A 1 8  ? -13.46100 -8.52134  14.48065 1.000 27.79573 ?  104 ASP A CB  1 
ATOM   30   C CG  . ASP A 1 8  ? -13.59626 -9.81775  15.26356 1.000 25.88774 ?  104 ASP A CG  1 
ATOM   31   O OD1 . ASP A 1 8  ? -14.73306 -10.30082 15.44630 1.000 24.19812 ?  104 ASP A OD1 1 
ATOM   32   O OD2 . ASP A 1 8  ? -12.55690 -10.35209 15.70326 1.000 30.21375 ?  104 ASP A OD2 1 
ATOM   33   N N   . GLU A 1 9  ? -15.73673 -10.22468 12.71495 1.000 25.38265 ?  105 GLU A N   1 
ATOM   34   C CA  . GLU A 1 9  ? -17.13376 -10.57951 12.49165 1.000 19.65412 ?  105 GLU A CA  1 
ATOM   35   C C   . GLU A 1 9  ? -17.99365 -10.42436 13.74127 1.000 22.15548 ?  105 GLU A C   1 
ATOM   36   O O   . GLU A 1 9  ? -19.22336 -10.37754 13.62548 1.000 24.17080 ?  105 GLU A O   1 
ATOM   37   C CB  . GLU A 1 9  ? -17.23688 -12.01196 11.96258 1.000 23.36729 ?  105 GLU A CB  1 
ATOM   38   C CG  . GLU A 1 9  ? -16.72265 -12.18012 10.54237 1.000 24.11559 ?  105 GLU A CG  1 
ATOM   39   C CD  . GLU A 1 9  ? -16.93430 -13.58118 10.00585 1.000 36.90246 ?  105 GLU A CD  1 
ATOM   40   O OE1 . GLU A 1 9  ? -16.91357 -14.53840 10.80759 1.000 32.94447 ?  105 GLU A OE1 1 
ATOM   41   O OE2 . GLU A 1 9  ? -17.12994 -13.72154 8.78070  1.000 37.73636 ?  105 GLU A OE2 1 
ATOM   42   N N   . GLY A 1 10 ? -17.38485 -10.32180 14.92218 1.000 24.05357 ?  106 GLY A N   1 
ATOM   43   C CA  . GLY A 1 10 ? -18.13120 -10.32032 16.16126 1.000 24.11720 ?  106 GLY A CA  1 
ATOM   44   C C   . GLY A 1 10 ? -18.61098 -8.94211  16.58970 1.000 24.18843 ?  106 GLY A C   1 
ATOM   45   O O   . GLY A 1 10 ? -18.37840 -7.92189  15.94025 1.000 21.08932 ?  106 GLY A O   1 
ATOM   46   N N   . PHE A 1 11 ? -19.31782 -8.93519  17.71786 1.000 26.08687 ?  107 PHE A N   1 
ATOM   47   C CA  . PHE A 1 11 ? -19.80365 -7.72747  18.37007 1.000 23.76497 ?  107 PHE A CA  1 
ATOM   48   C C   . PHE A 1 11 ? -19.14397 -7.61872  19.73539 1.000 22.97413 ?  107 PHE A C   1 
ATOM   49   O O   . PHE A 1 11 ? -19.03568 -8.61297  20.45878 1.000 23.29735 ?  107 PHE A O   1 
ATOM   50   C CB  . PHE A 1 11 ? -21.32743 -7.75313  18.53437 1.000 22.12138 ?  107 PHE A CB  1 
ATOM   51   C CG  . PHE A 1 11 ? -22.08344 -7.60305  17.24818 1.000 22.76245 ?  107 PHE A CG  1 
ATOM   52   C CD1 . PHE A 1 11 ? -22.27464 -8.68840  16.41188 1.000 27.13726 ?  107 PHE A CD1 1 
ATOM   53   C CD2 . PHE A 1 11 ? -22.62270 -6.37915  16.88621 1.000 25.94551 ?  107 PHE A CD2 1 
ATOM   54   C CE1 . PHE A 1 11 ? -22.97565 -8.55205  15.23671 1.000 27.80177 ?  107 PHE A CE1 1 
ATOM   55   C CE2 . PHE A 1 11 ? -23.32592 -6.23792  15.70873 1.000 27.65470 ?  107 PHE A CE2 1 
ATOM   56   C CZ  . PHE A 1 11 ? -23.50324 -7.32421  14.88387 1.000 26.28379 ?  107 PHE A CZ  1 
ATOM   57   N N   . TYR A 1 12 ? -18.70307 -6.41612  20.09386 1.000 21.41186 ?  108 TYR A N   1 
ATOM   58   C CA  . TYR A 1 12 ? -17.89223 -6.25350  21.29161 1.000 21.44816 ?  108 TYR A CA  1 
ATOM   59   C C   . TYR A 1 12 ? -18.28111 -4.98719  22.03792 1.000 22.45779 ?  108 TYR A C   1 
ATOM   60   O O   . TYR A 1 12 ? -18.95994 -4.10445  21.50737 1.000 24.05441 ?  108 TYR A O   1 
ATOM   61   C CB  . TYR A 1 12 ? -16.39472 -6.24572  20.94791 1.000 25.18265 ?  108 TYR A CB  1 
ATOM   62   C CG  . TYR A 1 12 ? -15.98925 -7.45052  20.13274 1.000 25.46468 ?  108 TYR A CG  1 
ATOM   63   C CD1 . TYR A 1 12 ? -15.78781 -8.68215  20.74170 1.000 22.02674 ?  108 TYR A CD1 1 
ATOM   64   C CD2 . TYR A 1 12 ? -15.83964 -7.36798  18.75518 1.000 20.26329 ?  108 TYR A CD2 1 
ATOM   65   C CE1 . TYR A 1 12 ? -15.43206 -9.79553  20.00455 1.000 23.39251 ?  108 TYR A CE1 1 
ATOM   66   C CE2 . TYR A 1 12 ? -15.48316 -8.47653  18.00906 1.000 26.27681 ?  108 TYR A CE2 1 
ATOM   67   C CZ  . TYR A 1 12 ? -15.28108 -9.68722  18.63904 1.000 25.72689 ?  108 TYR A CZ  1 
ATOM   68   O OH  . TYR A 1 12 ? -14.92623 -10.79221 17.89808 1.000 22.07536 ?  108 TYR A OH  1 
ATOM   69   N N   . GLU A 1 13 ? -17.83059 -4.91899  23.28769 1.000 23.23328 ?  109 GLU A N   1 
ATOM   70   C CA  . GLU A 1 13 ? -18.20866 -3.87041  24.22225 1.000 26.64600 ?  109 GLU A CA  1 
ATOM   71   C C   . GLU A 1 13 ? -17.00386 -2.98998  24.52167 1.000 23.55156 ?  109 GLU A C   1 
ATOM   72   O O   . GLU A 1 13 ? -15.92041 -3.49667  24.82849 1.000 26.74057 ?  109 GLU A O   1 
ATOM   73   C CB  . GLU A 1 13 ? -18.74694 -4.47605  25.51890 1.000 28.33600 ?  109 GLU A CB  1 
ATOM   74   C CG  . GLU A 1 13 ? -20.15889 -4.05713  25.87547 1.000 44.74642 ?  109 GLU A CG  1 
ATOM   75   C CD  . GLU A 1 13 ? -20.75733 -4.91870  26.97204 1.000 58.35488 ?  109 GLU A CD  1 
ATOM   76   O OE1 . GLU A 1 13 ? -20.14366 -5.01816  28.05507 1.000 52.31149 ?  109 GLU A OE1 1 
ATOM   77   O OE2 . GLU A 1 13 ? -21.84240 -5.49663  26.75317 1.000 66.42432 ?  109 GLU A OE2 1 
ATOM   78   N N   . ILE A 1 14 ? -17.19954 -1.67563  24.44847 1.000 26.46714 ?  110 ILE A N   1 
ATOM   79   C CA  . ILE A 1 14 ? -16.13742 -0.73303  24.78307 1.000 23.94938 ?  110 ILE A CA  1 
ATOM   80   C C   . ILE A 1 14 ? -15.96393 -0.69755  26.29596 1.000 25.46450 ?  110 ILE A C   1 
ATOM   81   O O   . ILE A 1 14 ? -16.92048 -0.45148  27.03999 1.000 28.24016 ?  110 ILE A O   1 
ATOM   82   C CB  . ILE A 1 14 ? -16.45052 0.66463   24.23452 1.000 24.27321 ?  110 ILE A CB  1 
ATOM   83   C CG1 . ILE A 1 14 ? -16.52326 0.63647   22.70700 1.000 23.66293 ?  110 ILE A CG1 1 
ATOM   84   C CG2 . ILE A 1 14 ? -15.40672 1.66826   24.71207 1.000 27.44060 ?  110 ILE A CG2 1 
ATOM   85   C CD1 . ILE A 1 14 ? -17.13778 1.88551   22.11641 1.000 28.45176 ?  110 ILE A CD1 1 
ATOM   86   N N   . GLU A 1 15 ? -14.73886 -0.94504  26.75899 1.000 25.06339 ?  111 GLU A N   1 
ATOM   87   C CA  . GLU A 1 15 ? -14.41967 -0.75153  28.16793 1.000 20.09352 ?  111 GLU A CA  1 
ATOM   88   C C   . GLU A 1 15 ? -13.93220 0.66418   28.44339 1.000 25.09023 ?  111 GLU A C   1 
ATOM   89   O O   . GLU A 1 15 ? -14.32497 1.27030   29.44687 1.000 24.50113 ?  111 GLU A O   1 
ATOM   90   C CB  . GLU A 1 15 ? -13.36393 -1.76232  28.63014 1.000 25.05662 ?  111 GLU A CB  1 
ATOM   91   C CG  . GLU A 1 15 ? -12.83941 -1.49056  30.03328 1.000 24.52947 ?  111 GLU A CG  1 
ATOM   92   C CD  . GLU A 1 15 ? -11.87922 -2.55352  30.52703 1.000 30.49014 ?  111 GLU A CD  1 
ATOM   93   O OE1 . GLU A 1 15 ? -12.00523 -3.72011  30.09965 1.000 27.65641 ?  111 GLU A OE1 1 
ATOM   94   O OE2 . GLU A 1 15 ? -10.99207 -2.21722  31.33992 1.000 28.90703 ?  111 GLU A OE2 1 
ATOM   95   N N   . ALA A 1 16 ? -13.09650 1.20798   27.56102 1.000 23.82122 ?  112 ALA A N   1 
ATOM   96   C CA  . ALA A 1 16 ? -12.55818 2.54389   27.75846 1.000 23.40325 ?  112 ALA A CA  1 
ATOM   97   C C   . ALA A 1 16 ? -12.09792 3.11842   26.42825 1.000 27.38563 ?  112 ALA A C   1 
ATOM   98   O O   . ALA A 1 16 ? -11.62634 2.39452   25.54822 1.000 22.60451 ?  112 ALA A O   1 
ATOM   99   C CB  . ALA A 1 16 ? -11.39977 2.53550   28.75981 1.000 22.92056 ?  112 ALA A CB  1 
ATOM   100  N N   . ILE A 1 17 ? -12.25354 4.43072   26.29657 1.000 24.37529 ?  113 ILE A N   1 
ATOM   101  C CA  . ILE A 1 17 ? -11.67302 5.19759   25.20229 1.000 29.84156 ?  113 ILE A CA  1 
ATOM   102  C C   . ILE A 1 17 ? -10.32951 5.71406   25.69472 1.000 26.08118 ?  113 ILE A C   1 
ATOM   103  O O   . ILE A 1 17 ? -10.27267 6.49911   26.64925 1.000 35.42008 ?  113 ILE A O   1 
ATOM   104  C CB  . ILE A 1 17 ? -12.58764 6.35673   24.77967 1.000 28.84739 ?  113 ILE A CB  1 
ATOM   105  C CG1 . ILE A 1 17 ? -13.98353 5.84103   24.43085 1.000 36.66661 ?  113 ILE A CG1 1 
ATOM   106  C CG2 . ILE A 1 17 ? -11.98813 7.10372   23.58948 1.000 32.63107 ?  113 ILE A CG2 1 
ATOM   107  C CD1 . ILE A 1 17 ? -14.94826 6.95163   24.07680 1.000 41.02984 ?  113 ILE A CD1 1 
ATOM   108  N N   . ARG A 1 18 ? -9.24590  5.27906   25.05716 1.000 24.12667 ?  114 ARG A N   1 
ATOM   109  C CA  . ARG A 1 18 ? -7.91783  5.51250   25.60883 1.000 24.85711 ?  114 ARG A CA  1 
ATOM   110  C C   . ARG A 1 18 ? -7.17888  6.66584   24.95148 1.000 29.96669 ?  114 ARG A C   1 
ATOM   111  O O   . ARG A 1 18 ? -6.45786  7.39674   25.63602 1.000 33.71759 ?  114 ARG A O   1 
ATOM   112  C CB  . ARG A 1 18 ? -7.07416  4.24056   25.50301 1.000 27.94670 ?  114 ARG A CB  1 
ATOM   113  C CG  . ARG A 1 18 ? -7.59682  3.14809   26.40391 1.000 24.51576 ?  114 ARG A CG  1 
ATOM   114  C CD  . ARG A 1 18 ? -7.36428  3.50246   27.86489 1.000 21.70839 ?  114 ARG A CD  1 
ATOM   115  N NE  . ARG A 1 18 ? -7.73518  2.43171   28.78260 1.000 26.54540 ?  114 ARG A NE  1 
ATOM   116  C CZ  . ARG A 1 18 ? -7.08285  1.28483   28.90934 1.000 24.09057 ?  114 ARG A CZ  1 
ATOM   117  N NH1 . ARG A 1 18 ? -5.98865  1.03064   28.21336 1.000 25.08406 ?  114 ARG A NH1 1 
ATOM   118  N NH2 . ARG A 1 18 ? -7.53970  0.37074   29.75953 1.000 19.90316 ?  114 ARG A NH2 1 
ATOM   119  N N   . ARG A 1 19 ? -7.33213  6.84865   23.64510 1.000 30.95541 ?  115 ARG A N   1 
ATOM   120  C CA  . ARG A 1 19 ? -6.57402  7.87740   22.95320 1.000 31.91934 ?  115 ARG A CA  1 
ATOM   121  C C   . ARG A 1 19 ? -7.33637  8.26353   21.69655 1.000 35.92078 ?  115 ARG A C   1 
ATOM   122  O O   . ARG A 1 19 ? -8.25956  7.56429   21.27017 1.000 28.11183 ?  115 ARG A O   1 
ATOM   123  C CB  . ARG A 1 19 ? -5.15836  7.39051   22.61579 1.000 37.64034 ?  115 ARG A CB  1 
ATOM   124  C CG  . ARG A 1 19 ? -4.04657  8.37966   22.95601 1.000 42.39937 ?  115 ARG A CG  1 
ATOM   125  C CD  . ARG A 1 19 ? -2.74133  8.02673   22.24984 1.000 40.15981 ?  115 ARG A CD  1 
ATOM   126  N NE  . ARG A 1 19 ? -2.23654  6.70037   22.58615 1.000 38.89496 ?  115 ARG A NE  1 
ATOM   127  C CZ  . ARG A 1 19 ? -1.27900  6.07718   21.91182 1.000 45.41306 ?  115 ARG A CZ  1 
ATOM   128  N NH1 . ARG A 1 19 ? -0.70293  6.63063   20.85766 1.000 41.45066 ?  115 ARG A NH1 1 
ATOM   129  N NH2 . ARG A 1 19 ? -0.88918  4.86841   22.30483 1.000 43.71747 ?  115 ARG A NH2 1 
ATOM   130  N N   . LYS A 1 20 ? -6.94687  9.39602   21.11656 1.000 29.93541 ?  116 LYS A N   1 
ATOM   131  C CA  . LYS A 1 20 ? -7.53120  9.87274   19.87356 1.000 27.67797 ?  116 LYS A CA  1 
ATOM   132  C C   . LYS A 1 20 ? -6.42673  10.22902  18.88976 1.000 22.24727 ?  116 LYS A C   1 
ATOM   133  O O   . LYS A 1 20 ? -5.34764  10.68444  19.27863 1.000 29.24282 ?  116 LYS A O   1 
ATOM   134  C CB  . LYS A 1 20 ? -8.44158  11.09575  20.09694 1.000 30.98685 ?  116 LYS A CB  1 
ATOM   135  C CG  . LYS A 1 20 ? -9.38049  11.36046  18.93046 1.000 33.12229 ?  116 LYS A CG  1 
ATOM   136  C CD  . LYS A 1 20 ? -9.95212  12.77373  18.92248 1.000 41.97748 ?  116 LYS A CD  1 
ATOM   137  C CE  . LYS A 1 20 ? -10.60847 13.15571  20.23319 1.000 40.98027 ?  116 LYS A CE  1 
ATOM   138  N NZ  . LYS A 1 20 ? -11.59929 14.25368  20.02289 1.000 41.85941 ?  116 LYS A NZ  1 
ATOM   139  N N   . ARG A 1 21 ? -6.70875  10.00882  17.60748 1.000 19.99022 ?  117 ARG A N   1 
ATOM   140  C CA  . ARG A 1 21 ? -5.79417  10.38135  16.53899 1.000 24.55217 ?  117 ARG A CA  1 
ATOM   141  C C   . ARG A 1 21 ? -6.60171  10.68303  15.28492 1.000 29.56185 ?  117 ARG A C   1 
ATOM   142  O O   . ARG A 1 21 ? -7.81111  10.45056  15.22774 1.000 24.86108 ?  117 ARG A O   1 
ATOM   143  C CB  . ARG A 1 21 ? -4.76237  9.27876   16.25824 1.000 27.33911 ?  117 ARG A CB  1 
ATOM   144  C CG  . ARG A 1 21 ? -5.27369  8.13728   15.37742 1.000 24.67832 ?  117 ARG A CG  1 
ATOM   145  C CD  . ARG A 1 21 ? -4.24974  7.00521   15.26372 1.000 24.29572 ?  117 ARG A CD  1 
ATOM   146  N NE  . ARG A 1 21 ? -4.75730  5.87344   14.49489 1.000 28.61682 ?  117 ARG A NE  1 
ATOM   147  C CZ  . ARG A 1 21 ? -4.08068  4.75587   14.26496 1.000 26.18548 ?  117 ARG A CZ  1 
ATOM   148  N NH1 . ARG A 1 21 ? -2.86065  4.57500   14.74139 1.000 28.38067 ?  117 ARG A NH1 1 
ATOM   149  N NH2 . ARG A 1 21 ? -4.64476  3.79328   13.54155 1.000 29.86533 ?  117 ARG A NH2 1 
ATOM   150  N N   . VAL A 1 22 ? -5.91338  11.21642  14.27824 1.000 26.52931 ?  118 VAL A N   1 
ATOM   151  C CA  . VAL A 1 22 ? -6.46844  11.43365  12.94565 1.000 26.53518 ?  118 VAL A CA  1 
ATOM   152  C C   . VAL A 1 22 ? -5.63576  10.63282  11.95905 1.000 30.07265 ?  118 VAL A C   1 
ATOM   153  O O   . VAL A 1 22 ? -4.43312  10.88348  11.80789 1.000 28.33174 ?  118 VAL A O   1 
ATOM   154  C CB  . VAL A 1 22 ? -6.47933  12.91889  12.55242 1.000 30.17710 ?  118 VAL A CB  1 
ATOM   155  C CG1 . VAL A 1 22 ? -7.20209  13.10749  11.23079 1.000 29.22495 ?  118 VAL A CG1 1 
ATOM   156  C CG2 . VAL A 1 22 ? -7.15029  13.73490  13.61736 1.000 30.47639 ?  118 VAL A CG2 1 
ATOM   157  N N   . ARG A 1 23 ? -6.26976  9.67672   11.28710 1.000 32.39743 ?  119 ARG A N   1 
ATOM   158  C CA  . ARG A 1 23 ? -5.62557  8.88868   10.24444 1.000 34.40739 ?  119 ARG A CA  1 
ATOM   159  C C   . ARG A 1 23 ? -6.35331  9.10220   8.92674  1.000 37.78485 ?  119 ARG A C   1 
ATOM   160  O O   . ARG A 1 23 ? -7.56070  8.85425   8.83357  1.000 37.88733 ?  119 ARG A O   1 
ATOM   161  C CB  . ARG A 1 23 ? -5.59109  7.40275   10.60279 1.000 31.93616 ?  119 ARG A CB  1 
ATOM   162  C CG  . ARG A 1 23 ? -4.82933  6.57934   9.58292  1.000 40.18379 ?  119 ARG A CG  1 
ATOM   163  C CD  . ARG A 1 23 ? -4.42084  5.22727   10.12001 1.000 37.02886 ?  119 ARG A CD  1 
ATOM   164  N NE  . ARG A 1 23 ? -3.16745  5.31974   10.85657 1.000 35.92146 ?  119 ARG A NE  1 
ATOM   165  C CZ  . ARG A 1 23 ? -2.47190  4.27612   11.28342 1.000 40.22959 ?  119 ARG A CZ  1 
ATOM   166  N NH1 . ARG A 1 23 ? -2.87421  3.03804   11.05471 1.000 35.24510 ?  119 ARG A NH1 1 
ATOM   167  N NH2 . ARG A 1 23 ? -1.33887  4.48032   11.94776 1.000 38.78791 ?  119 ARG A NH2 1 
ATOM   168  N N   . LYS A 1 24 ? -5.61296  9.56209   7.91519  1.000 44.66005 ?  120 LYS A N   1 
ATOM   169  C CA  . LYS A 1 24 ? -6.13577  9.75014   6.56050  1.000 48.20140 ?  120 LYS A CA  1 
ATOM   170  C C   . LYS A 1 24 ? -7.38238  10.63182  6.55067  1.000 40.02919 ?  120 LYS A C   1 
ATOM   171  O O   . LYS A 1 24 ? -8.29888  10.42850  5.75094  1.000 49.94187 ?  120 LYS A O   1 
ATOM   172  C CB  . LYS A 1 24 ? -6.41573  8.40308   5.88852  1.000 45.96603 ?  120 LYS A CB  1 
ATOM   173  C CG  . LYS A 1 24 ? -5.41021  8.03281   4.80633  1.000 50.54057 ?  120 LYS A CG  1 
ATOM   174  C CD  . LYS A 1 24 ? -4.04842  7.68948   5.39427  1.000 55.14832 ?  120 LYS A CD  1 
ATOM   175  C CE  . LYS A 1 24 ? -2.93096  7.99190   4.40628  1.000 55.25150 ?  120 LYS A CE  1 
ATOM   176  N NZ  . LYS A 1 24 ? -1.63254  7.38994   4.81976  1.000 57.09443 ?  120 LYS A NZ  1 
ATOM   177  N N   . GLY A 1 25 ? -7.41957  11.62115  7.43964  1.000 36.99730 ?  121 GLY A N   1 
ATOM   178  C CA  . GLY A 1 25 ? -8.52384  12.55391  7.50679  1.000 40.72419 ?  121 GLY A CA  1 
ATOM   179  C C   . GLY A 1 25 ? -9.69825  12.11020  8.34785  1.000 45.03320 ?  121 GLY A C   1 
ATOM   180  O O   . GLY A 1 25 ? -10.71382 12.81582  8.38301  1.000 44.89060 ?  121 GLY A O   1 
ATOM   181  N N   . LYS A 1 26 ? -9.59885  10.97075  9.02682  1.000 37.26630 ?  122 LYS A N   1 
ATOM   182  C CA  . LYS A 1 26 ? -10.67515 10.45557  9.86007  1.000 31.41128 ?  122 LYS A CA  1 
ATOM   183  C C   . LYS A 1 26 ? -10.18012 10.29984  11.28974 1.000 30.83230 ?  122 LYS A C   1 
ATOM   184  O O   . LYS A 1 26 ? -9.11875  9.71395   11.52364 1.000 35.17200 ?  122 LYS A O   1 
ATOM   185  C CB  . LYS A 1 26 ? -11.18483 9.11252   9.33270  1.000 34.50992 ?  122 LYS A CB  1 
ATOM   186  C CG  . LYS A 1 26 ? -11.52392 9.11177   7.84985  1.000 41.24542 ?  122 LYS A CG  1 
ATOM   187  C CD  . LYS A 1 26 ? -12.70048 10.01969  7.52996  1.000 40.86615 ?  122 LYS A CD  1 
ATOM   188  C CE  . LYS A 1 26 ? -13.16957 9.81009   6.09917  1.000 38.43164 ?  122 LYS A CE  1 
ATOM   189  N NZ  . LYS A 1 26 ? -13.00885 11.03976  5.27818  1.000 50.41068 ?  122 LYS A NZ  1 
ATOM   190  N N   . VAL A 1 27 ? -10.95279 10.82030  12.24145 1.000 22.39957 ?  123 VAL A N   1 
ATOM   191  C CA  . VAL A 1 27 ? -10.64546 10.62433  13.65191 1.000 25.99708 ?  123 VAL A CA  1 
ATOM   192  C C   . VAL A 1 27 ? -10.81488 9.15485   14.01509 1.000 28.43507 ?  123 VAL A C   1 
ATOM   193  O O   . VAL A 1 27 ? -11.74456 8.48109   13.54887 1.000 27.98921 ?  123 VAL A O   1 
ATOM   194  C CB  . VAL A 1 27 ? -11.54242 11.52486  14.52001 1.000 29.85113 ?  123 VAL A CB  1 
ATOM   195  C CG1 . VAL A 1 27 ? -11.39285 11.18431  15.99159 1.000 28.29088 ?  123 VAL A CG1 1 
ATOM   196  C CG2 . VAL A 1 27 ? -11.20904 12.99024  14.27977 1.000 25.63189 ?  123 VAL A CG2 1 
ATOM   197  N N   . GLN A 1 28 ? -9.89969  8.64088   14.83650 1.000 26.32033 ?  124 GLN A N   1 
ATOM   198  C CA  . GLN A 1 28 ? -10.00088 7.29322   15.37545 1.000 23.32415 ?  124 GLN A CA  1 
ATOM   199  C C   . GLN A 1 28 ? -9.75096  7.32236   16.87581 1.000 27.62157 ?  124 GLN A C   1 
ATOM   200  O O   . GLN A 1 28 ? -9.04447  8.19474   17.38815 1.000 28.52939 ?  124 GLN A O   1 
ATOM   201  C CB  . GLN A 1 28 ? -9.01280  6.32986   14.70267 1.000 24.81412 ?  124 GLN A CB  1 
ATOM   202  C CG  . GLN A 1 28 ? -9.19664  6.21343   13.19919 1.000 24.84106 ?  124 GLN A CG  1 
ATOM   203  C CD  . GLN A 1 28 ? -8.19134  5.28195   12.55700 1.000 29.38201 ?  124 GLN A CD  1 
ATOM   204  O OE1 . GLN A 1 28 ? -7.05479  5.16280   13.01456 1.000 33.56775 ?  124 GLN A OE1 1 
ATOM   205  N NE2 . GLN A 1 28 ? -8.60810  4.60973   11.49077 1.000 38.47968 ?  124 GLN A NE2 1 
ATOM   206  N N   . TYR A 1 29 ? -10.34216 6.35840   17.57579 1.000 22.99297 ?  125 TYR A N   1 
ATOM   207  C CA  . TYR A 1 29 ? -10.18876 6.21857   19.01539 1.000 21.77078 ?  125 TYR A CA  1 
ATOM   208  C C   . TYR A 1 29 ? -9.52419  4.88569   19.32261 1.000 23.29598 ?  125 TYR A C   1 
ATOM   209  O O   . TYR A 1 29 ? -9.87218  3.85788   18.73269 1.000 22.50497 ?  125 TYR A O   1 
ATOM   210  C CB  . TYR A 1 29 ? -11.54302 6.30225   19.73291 1.000 26.31975 ?  125 TYR A CB  1 
ATOM   211  C CG  . TYR A 1 29 ? -12.30138 7.58345   19.47189 1.000 24.68201 ?  125 TYR A CG  1 
ATOM   212  C CD1 . TYR A 1 29 ? -13.14034 7.70224   18.37132 1.000 24.89972 ?  125 TYR A CD1 1 
ATOM   213  C CD2 . TYR A 1 29 ? -12.17647 8.67425   20.32160 1.000 29.45992 ?  125 TYR A CD2 1 
ATOM   214  C CE1 . TYR A 1 29 ? -13.83795 8.87100   18.12551 1.000 25.01149 ?  125 TYR A CE1 1 
ATOM   215  C CE2 . TYR A 1 29 ? -12.86955 9.84782   20.08405 1.000 36.12147 ?  125 TYR A CE2 1 
ATOM   216  C CZ  . TYR A 1 29 ? -13.69820 9.93970   18.98424 1.000 34.16736 ?  125 TYR A CZ  1 
ATOM   217  O OH  . TYR A 1 29 ? -14.39174 11.10453  18.74050 1.000 34.13950 ?  125 TYR A OH  1 
ATOM   218  N N   . LEU A 1 30 ? -8.55507  4.91167   20.23268 1.000 26.00645 ?  126 LEU A N   1 
ATOM   219  C CA  . LEU A 1 30 ? -7.92889  3.68652   20.71081 1.000 23.14228 ?  126 LEU A CA  1 
ATOM   220  C C   . LEU A 1 30 ? -8.83167  3.06111   21.76799 1.000 27.73908 ?  126 LEU A C   1 
ATOM   221  O O   . LEU A 1 30 ? -9.07466  3.66452   22.81859 1.000 24.46945 ?  126 LEU A O   1 
ATOM   222  C CB  . LEU A 1 30 ? -6.54147  3.97864   21.27668 1.000 24.49353 ?  126 LEU A CB  1 
ATOM   223  C CG  . LEU A 1 30 ? -5.79524  2.78594   21.86719 1.000 24.29766 ?  126 LEU A CG  1 
ATOM   224  C CD1 . LEU A 1 30 ? -5.58715  1.71520   20.79973 1.000 20.47598 ?  126 LEU A CD1 1 
ATOM   225  C CD2 . LEU A 1 30 ? -4.46674  3.23621   22.44912 1.000 32.26177 ?  126 LEU A CD2 1 
ATOM   226  N N   . ILE A 1 31 ? -9.33292  1.85971   21.49218 1.000 24.41068 ?  127 ILE A N   1 
ATOM   227  C CA  . ILE A 1 31 ? -10.36298 1.22429   22.30676 1.000 21.47705 ?  127 ILE A CA  1 
ATOM   228  C C   . ILE A 1 31 ? -9.75335  0.08153   23.10182 1.000 21.70346 ?  127 ILE A C   1 
ATOM   229  O O   . ILE A 1 31 ? -9.08374  -0.79187  22.53645 1.000 21.27339 ?  127 ILE A O   1 
ATOM   230  C CB  . ILE A 1 31 ? -11.53343 0.71678   21.44603 1.000 24.05436 ?  127 ILE A CB  1 
ATOM   231  C CG1 . ILE A 1 31 ? -12.13204 1.86460   20.63073 1.000 23.22644 ?  127 ILE A CG1 1 
ATOM   232  C CG2 . ILE A 1 31 ? -12.58436 0.05194   22.32215 1.000 21.79784 ?  127 ILE A CG2 1 
ATOM   233  C CD1 . ILE A 1 31 ? -12.72973 2.96167   21.48974 1.000 28.84500 ?  127 ILE A CD1 1 
ATOM   234  N N   . LYS A 1 32 ? -9.98559  0.09147   24.41195 1.000 20.42631 ?  128 LYS A N   1 
ATOM   235  C CA  . LYS A 1 32 ? -9.82190  -1.09359  25.24060 1.000 24.04524 ?  128 LYS A CA  1 
ATOM   236  C C   . LYS A 1 32 ? -11.14716 -1.84448  25.22962 1.000 24.95283 ?  128 LYS A C   1 
ATOM   237  O O   . LYS A 1 32 ? -12.19322 -1.26727  25.54578 1.000 20.94547 ?  128 LYS A O   1 
ATOM   238  C CB  . LYS A 1 32 ? -9.41019  -0.71686  26.66377 1.000 22.03598 ?  128 LYS A CB  1 
ATOM   239  C CG  . LYS A 1 32 ? -9.54145  -1.84573  27.67725 1.000 24.36558 ?  128 LYS A CG  1 
ATOM   240  C CD  . LYS A 1 32 ? -8.60574  -3.00211  27.36175 1.000 19.17414 ?  128 LYS A CD  1 
ATOM   241  C CE  . LYS A 1 32 ? -8.59757  -4.01821  28.49521 1.000 21.19055 ?  128 LYS A CE  1 
ATOM   242  N NZ  . LYS A 1 32 ? -9.87221  -4.78268  28.60253 1.000 20.56438 ?  128 LYS A NZ  1 
ATOM   243  N N   . TRP A 1 33 ? -11.11203 -3.11287  24.83764 1.000 23.58744 ?  129 TRP A N   1 
ATOM   244  C CA  . TRP A 1 33 ? -12.32472 -3.90005  24.67031 1.000 22.28340 ?  129 TRP A CA  1 
ATOM   245  C C   . TRP A 1 33 ? -12.60368 -4.68399  25.94396 1.000 20.91068 ?  129 TRP A C   1 
ATOM   246  O O   . TRP A 1 33 ? -11.69709 -5.30586  26.50735 1.000 25.32975 ?  129 TRP A O   1 
ATOM   247  C CB  . TRP A 1 33 ? -12.20558 -4.84204  23.47222 1.000 24.36075 ?  129 TRP A CB  1 
ATOM   248  C CG  . TRP A 1 33 ? -12.02984 -4.10599  22.18461 1.000 17.47276 ?  129 TRP A CG  1 
ATOM   249  C CD1 . TRP A 1 33 ? -10.86271 -3.91082  21.50701 1.000 21.30591 ?  129 TRP A CD1 1 
ATOM   250  C CD2 . TRP A 1 33 ? -13.04632 -3.42517  21.43870 1.000 19.16744 ?  129 TRP A CD2 1 
ATOM   251  N NE1 . TRP A 1 33 ? -11.09133 -3.16789  20.37523 1.000 20.17826 ?  129 TRP A NE1 1 
ATOM   252  C CE2 . TRP A 1 33 ? -12.42378 -2.85661  20.31043 1.000 22.84371 ?  129 TRP A CE2 1 
ATOM   253  C CE3 . TRP A 1 33 ? -14.42265 -3.24881  21.61088 1.000 22.86464 ?  129 TRP A CE3 1 
ATOM   254  C CZ2 . TRP A 1 33 ? -13.13055 -2.12393  19.35825 1.000 21.39523 ?  129 TRP A CZ2 1 
ATOM   255  C CZ3 . TRP A 1 33 ? -15.12257 -2.52084  20.66369 1.000 22.33795 ?  129 TRP A CZ3 1 
ATOM   256  C CH2 . TRP A 1 33 ? -14.47523 -1.96772  19.55198 1.000 24.12688 ?  129 TRP A CH2 1 
ATOM   257  N N   . ARG A 1 34 ? -13.85266 -4.63330  26.40285 1.000 23.11467 ?  130 ARG A N   1 
ATOM   258  C CA  . ARG A 1 34 ? -14.24033 -5.35298  27.60945 1.000 18.04310 ?  130 ARG A CA  1 
ATOM   259  C C   . ARG A 1 34 ? -14.08934 -6.85548  27.40638 1.000 19.66908 ?  130 ARG A C   1 
ATOM   260  O O   . ARG A 1 34 ? -14.55015 -7.40968  26.40429 1.000 25.32621 ?  130 ARG A O   1 
ATOM   261  C CB  . ARG A 1 34 ? -15.68267 -5.01354  27.99100 1.000 24.22461 ?  130 ARG A CB  1 
ATOM   262  C CG  . ARG A 1 34 ? -16.20930 -5.80321  29.17969 1.000 28.37548 ?  130 ARG A CG  1 
ATOM   263  C CD  . ARG A 1 34 ? -15.70094 -5.25504  30.50521 1.000 24.75095 ?  130 ARG A CD  1 
ATOM   264  N NE  . ARG A 1 34 ? -16.06849 -3.85958  30.71064 1.000 32.32901 ?  130 ARG A NE  1 
ATOM   265  C CZ  . ARG A 1 34 ? -15.59766 -3.10164  31.69156 1.000 31.06023 ?  130 ARG A CZ  1 
ATOM   266  N NH1 . ARG A 1 34 ? -14.72524 -3.56887  32.56888 1.000 25.02724 ?  130 ARG A NH1 1 
ATOM   267  N NH2 . ARG A 1 34 ? -16.00551 -1.84021  31.78959 1.000 33.30614 ?  130 ARG A NH2 1 
ATOM   268  N N   . GLY A 1 35 ? -13.43658 -7.51273  28.36273 1.000 18.95128 ?  131 GLY A N   1 
ATOM   269  C CA  . GLY A 1 35 ? -13.20278 -8.94040  28.28297 1.000 24.25260 ?  131 GLY A CA  1 
ATOM   270  C C   . GLY A 1 35 ? -12.02183 -9.35506  27.43511 1.000 27.34844 ?  131 GLY A C   1 
ATOM   271  O O   . GLY A 1 35 ? -11.85943 -10.55181 27.16981 1.000 26.55743 ?  131 GLY A O   1 
ATOM   272  N N   . TRP A 1 36 ? -11.19240 -8.41276  27.00098 1.000 26.86346 ?  132 TRP A N   1 
ATOM   273  C CA  . TRP A 1 36 ? -10.04689 -8.70756  26.15780 1.000 24.65481 ?  132 TRP A CA  1 
ATOM   274  C C   . TRP A 1 36 ? -8.81167  -8.00213  26.69566 1.000 23.26777 ?  132 TRP A C   1 
ATOM   275  O O   . TRP A 1 36 ? -8.92222  -6.94448  27.32190 1.000 22.32821 ?  132 TRP A O   1 
ATOM   276  C CB  . TRP A 1 36 ? -10.30787 -8.27691  24.70717 1.000 20.44794 ?  132 TRP A CB  1 
ATOM   277  C CG  . TRP A 1 36 ? -11.37257 -9.09212  24.04829 1.000 21.14172 ?  132 TRP A CG  1 
ATOM   278  C CD1 . TRP A 1 36 ? -12.72169 -8.96136  24.20935 1.000 24.42760 ?  132 TRP A CD1 1 
ATOM   279  C CD2 . TRP A 1 36 ? -11.18034 -10.18370 23.14102 1.000 22.61978 ?  132 TRP A CD2 1 
ATOM   280  N NE1 . TRP A 1 36 ? -13.38218 -9.89708  23.45028 1.000 25.37411 ?  132 TRP A NE1 1 
ATOM   281  C CE2 . TRP A 1 36 ? -12.45738 -10.66014 22.78532 1.000 22.09776 ?  132 TRP A CE2 1 
ATOM   282  C CE3 . TRP A 1 36 ? -10.05244 -10.80235 22.59070 1.000 17.59391 ?  132 TRP A CE3 1 
ATOM   283  C CZ2 . TRP A 1 36 ? -12.63822 -11.72595 21.90462 1.000 20.52594 ?  132 TRP A CZ2 1 
ATOM   284  C CZ3 . TRP A 1 36 ? -10.23480 -11.85927 21.71664 1.000 20.40156 ?  132 TRP A CZ3 1 
ATOM   285  C CH2 . TRP A 1 36 ? -11.51851 -12.31079 21.38294 1.000 19.50007 ?  132 TRP A CH2 1 
ATOM   286  N N   . PRO A 1 37 ? -7.62691  -8.57081  26.48097 1.000 24.85216 ?  133 PRO A N   1 
ATOM   287  C CA  . PRO A 1 37 ? -6.41046  -7.99186  27.06511 1.000 23.41687 ?  133 PRO A CA  1 
ATOM   288  C C   . PRO A 1 37 ? -6.04611  -6.66137  26.42340 1.000 21.39584 ?  133 PRO A C   1 
ATOM   289  O O   . PRO A 1 37 ? -6.58167  -6.26009  25.38881 1.000 18.95741 ?  133 PRO A O   1 
ATOM   290  C CB  . PRO A 1 37 ? -5.34744  -9.05582  26.78376 1.000 19.05056 ?  133 PRO A CB  1 
ATOM   291  C CG  . PRO A 1 37 ? -5.85210  -9.75529  25.56585 1.000 28.11853 ?  133 PRO A CG  1 
ATOM   292  C CD  . PRO A 1 37 ? -7.33908  -9.82089  25.75518 1.000 24.78201 ?  133 PRO A CD  1 
ATOM   293  N N   . GLU A 1 38 ? -5.10701  -5.96804  27.07667 1.000 24.62731 ?  134 GLU A N   1 
ATOM   294  C CA  . GLU A 1 38 ? -4.62521  -4.69123  26.55895 1.000 26.53892 ?  134 GLU A CA  1 
ATOM   295  C C   . GLU A 1 38 ? -3.95158  -4.85513  25.20426 1.000 24.56289 ?  134 GLU A C   1 
ATOM   296  O O   . GLU A 1 38 ? -3.99013  -3.93776  24.37771 1.000 22.26038 ?  134 GLU A O   1 
ATOM   297  C CB  . GLU A 1 38 ? -3.65952  -4.04553  27.55521 1.000 26.09911 ?  134 GLU A CB  1 
ATOM   298  C CG  . GLU A 1 38 ? -4.29468  -3.59735  28.86510 1.000 27.51062 ?  134 GLU A CG  1 
ATOM   299  C CD  . GLU A 1 38 ? -5.14680  -2.34950  28.70562 1.000 29.40097 ?  134 GLU A CD  1 
ATOM   300  O OE1 . GLU A 1 38 ? -4.81960  -1.51261  27.83833 1.000 24.73695 ?  134 GLU A OE1 1 
ATOM   301  O OE2 . GLU A 1 38 ? -6.13132  -2.19045  29.45938 1.000 23.70593 ?  134 GLU A OE2 1 
ATOM   302  N N   . THR A 1 39 ? -3.33927  -6.01271  24.95229 1.000 22.90103 ?  135 THR A N   1 
ATOM   303  C CA  . THR A 1 39 ? -2.70974  -6.26304  23.66210 1.000 25.42632 ?  135 THR A CA  1 
ATOM   304  C C   . THR A 1 39 ? -3.71887  -6.36119  22.52375 1.000 20.92237 ?  135 THR A C   1 
ATOM   305  O O   . THR A 1 39 ? -3.31063  -6.38596  21.35787 1.000 23.75076 ?  135 THR A O   1 
ATOM   306  C CB  . THR A 1 39 ? -1.87275  -7.54508  23.72789 1.000 26.96180 ?  135 THR A CB  1 
ATOM   307  O OG1 . THR A 1 39 ? -2.66348  -8.60832  24.27806 1.000 27.14027 ?  135 THR A OG1 1 
ATOM   308  C CG2 . THR A 1 39 ? -0.63622  -7.33309  24.59427 1.000 29.04777 ?  135 THR A CG2 1 
ATOM   309  N N   . ALA A 1 40 ? -5.01385  -6.41491  22.82728 1.000 22.14984 ?  136 ALA A N   1 
ATOM   310  C CA  . ALA A 1 40 ? -6.05557  -6.48838  21.81234 1.000 24.91042 ?  136 ALA A CA  1 
ATOM   311  C C   . ALA A 1 40 ? -6.63130  -5.12586  21.45613 1.000 22.34525 ?  136 ALA A C   1 
ATOM   312  O O   . ALA A 1 40 ? -7.58850  -5.06074  20.67750 1.000 23.59052 ?  136 ALA A O   1 
ATOM   313  C CB  . ALA A 1 40 ? -7.18513  -7.41178  22.27999 1.000 21.41707 ?  136 ALA A CB  1 
ATOM   314  N N   . ASN A 1 41 ? -6.07842  -4.04926  22.01233 1.000 21.29757 ?  137 ASN A N   1 
ATOM   315  C CA  . ASN A 1 41 ? -6.58850  -2.70918  21.75501 1.000 24.88261 ?  137 ASN A CA  1 
ATOM   316  C C   . ASN A 1 41 ? -6.50236  -2.37543  20.26932 1.000 23.47035 ?  137 ASN A C   1 
ATOM   317  O O   . ASN A 1 41 ? -5.55153  -2.76027  19.58243 1.000 21.13538 ?  137 ASN A O   1 
ATOM   318  C CB  . ASN A 1 41 ? -5.79827  -1.68540  22.57374 1.000 22.24326 ?  137 ASN A CB  1 
ATOM   319  C CG  . ASN A 1 41 ? -6.05705  -1.79978  24.06847 1.000 26.83117 ?  137 ASN A CG  1 
ATOM   320  O OD1 . ASN A 1 41 ? -6.87946  -2.60158  24.51208 1.000 24.39299 ?  137 ASN A OD1 1 
ATOM   321  N ND2 . ASN A 1 41 ? -5.33552  -1.00569  24.85432 1.000 20.46734 ?  137 ASN A ND2 1 
ATOM   322  N N   . THR A 1 42 ? -7.51000  -1.65836  19.76901 1.000 23.45473 ?  138 THR A N   1 
ATOM   323  C CA  . THR A 1 42 ? -7.58286  -1.30257  18.35882 1.000 21.04519 ?  138 THR A CA  1 
ATOM   324  C C   . THR A 1 42 ? -7.99908  0.15319   18.18707 1.000 24.39865 ?  138 THR A C   1 
ATOM   325  O O   . THR A 1 42 ? -8.67990  0.73202   19.03872 1.000 23.94361 ?  138 THR A O   1 
ATOM   326  C CB  . THR A 1 42 ? -8.57480  -2.19853  17.58974 1.000 22.25217 ?  138 THR A CB  1 
ATOM   327  O OG1 . THR A 1 42 ? -9.88965  -2.05503  18.14537 1.000 23.82310 ?  138 THR A OG1 1 
ATOM   328  C CG2 . THR A 1 42 ? -8.14990  -3.66114  17.63915 1.000 21.95879 ?  138 THR A CG2 1 
ATOM   329  N N   . TRP A 1 43 ? -7.57725  0.73445   17.06487 1.000 24.47631 ?  139 TRP A N   1 
ATOM   330  C CA  . TRP A 1 43 ? -7.98427  2.07472   16.66081 1.000 23.03881 ?  139 TRP A CA  1 
ATOM   331  C C   . TRP A 1 43 ? -9.20686  1.97710   15.75492 1.000 23.26289 ?  139 TRP A C   1 
ATOM   332  O O   . TRP A 1 43 ? -9.18115  1.26527   14.74517 1.000 26.52665 ?  139 TRP A O   1 
ATOM   333  C CB  . TRP A 1 43 ? -6.84758  2.78729   15.92472 1.000 23.73327 ?  139 TRP A CB  1 
ATOM   334  C CG  . TRP A 1 43 ? -5.66693  3.14825   16.77811 1.000 29.05988 ?  139 TRP A CG  1 
ATOM   335  C CD1 . TRP A 1 43 ? -4.53903  2.40511   16.97413 1.000 27.96468 ?  139 TRP A CD1 1 
ATOM   336  C CD2 . TRP A 1 43 ? -5.48512  4.35702   17.52410 1.000 25.90932 ?  139 TRP A CD2 1 
ATOM   337  N NE1 . TRP A 1 43 ? -3.67308  3.07049   17.80735 1.000 24.14251 ?  139 TRP A NE1 1 
ATOM   338  C CE2 . TRP A 1 43 ? -4.23059  4.27169   18.15913 1.000 24.60252 ?  139 TRP A CE2 1 
ATOM   339  C CE3 . TRP A 1 43 ? -6.26546  5.49919   17.72378 1.000 25.38264 ?  139 TRP A CE3 1 
ATOM   340  C CZ2 . TRP A 1 43 ? -3.73801  5.28514   18.97849 1.000 24.63612 ?  139 TRP A CZ2 1 
ATOM   341  C CZ3 . TRP A 1 43 ? -5.77501  6.50457   18.53660 1.000 24.66581 ?  139 TRP A CZ3 1 
ATOM   342  C CH2 . TRP A 1 43 ? -4.52337  6.39113   19.15416 1.000 30.01441 ?  139 TRP A CH2 1 
ATOM   343  N N   . GLU A 1 44 ? -10.27201 2.69621   16.10922 1.000 22.72756 ?  140 GLU A N   1 
ATOM   344  C CA  . GLU A 1 44 ? -11.52773 2.58931   15.38034 1.000 23.73095 ?  140 GLU A CA  1 
ATOM   345  C C   . GLU A 1 44 ? -12.10627 3.95599   15.05252 1.000 25.91330 ?  140 GLU A C   1 
ATOM   346  O O   . GLU A 1 44 ? -12.05814 4.87363   15.88218 1.000 27.82772 ?  140 GLU A O   1 
ATOM   347  C CB  . GLU A 1 44 ? -12.56283 1.78203   16.18491 1.000 24.10793 ?  140 GLU A CB  1 
ATOM   348  C CG  . GLU A 1 44 ? -12.07201 0.44289   16.71943 1.000 17.94632 ?  140 GLU A CG  1 
ATOM   349  C CD  . GLU A 1 44 ? -11.85363 -0.58453  15.62160 1.000 21.32670 ?  140 GLU A CD  1 
ATOM   350  O OE1 . GLU A 1 44 ? -12.19235 -0.29989  14.45288 1.000 23.36629 ?  140 GLU A OE1 1 
ATOM   351  O OE2 . GLU A 1 44 ? -11.33968 -1.68118  15.92720 1.000 22.92857 ?  140 GLU A OE2 1 
ATOM   352  N N   . PRO A 1 45 ? -12.66463 4.12285   13.85582 1.000 28.12037 ?  141 PRO A N   1 
ATOM   353  C CA  . PRO A 1 45 ? -13.45592 5.31988   13.56758 1.000 29.04956 ?  141 PRO A CA  1 
ATOM   354  C C   . PRO A 1 45 ? -14.79079 5.28244   14.29877 1.000 31.58351 ?  141 PRO A C   1 
ATOM   355  O O   . PRO A 1 45 ? -15.23083 4.24499   14.79970 1.000 25.64461 ?  141 PRO A O   1 
ATOM   356  C CB  . PRO A 1 45 ? -13.63836 5.25745   12.04980 1.000 30.28316 ?  141 PRO A CB  1 
ATOM   357  C CG  . PRO A 1 45 ? -13.66094 3.78171   11.76467 1.000 31.65108 ?  141 PRO A CG  1 
ATOM   358  C CD  . PRO A 1 45 ? -12.64766 3.18450   12.71755 1.000 30.53105 ?  141 PRO A CD  1 
ATOM   359  N N   . LEU A 1 46 ? -15.43302 6.45236   14.35788 1.000 24.76301 ?  142 LEU A N   1 
ATOM   360  C CA  . LEU A 1 46 ? -16.64188 6.60675   15.16493 1.000 28.70483 ?  142 LEU A CA  1 
ATOM   361  C C   . LEU A 1 46 ? -17.75218 5.66472   14.71395 1.000 23.89280 ?  142 LEU A C   1 
ATOM   362  O O   . LEU A 1 46 ? -18.51530 5.15282   15.54244 1.000 28.55526 ?  142 LEU A O   1 
ATOM   363  C CB  . LEU A 1 46 ? -17.12083 8.05758   15.11259 1.000 26.39045 ?  142 LEU A CB  1 
ATOM   364  C CG  . LEU A 1 46 ? -18.26208 8.40277   16.06893 1.000 28.63392 ?  142 LEU A CG  1 
ATOM   365  C CD1 . LEU A 1 46 ? -17.91170 7.99598   17.48526 1.000 32.54649 ?  142 LEU A CD1 1 
ATOM   366  C CD2 . LEU A 1 46 ? -18.58229 9.88572   16.00492 1.000 32.59421 ?  142 LEU A CD2 1 
ATOM   367  N N   . GLU A 1 47 ? -17.85026 5.41583   13.40533 1.000 29.34638 ?  143 GLU A N   1 
ATOM   368  C CA  . GLU A 1 47 ? -18.94633 4.61122   12.87359 1.000 30.10315 ?  143 GLU A CA  1 
ATOM   369  C C   . GLU A 1 47 ? -18.89111 3.17856   13.38586 1.000 28.47087 ?  143 GLU A C   1 
ATOM   370  O O   . GLU A 1 47 ? -19.93447 2.53343   13.52598 1.000 32.95370 ?  143 GLU A O   1 
ATOM   371  C CB  . GLU A 1 47 ? -18.91426 4.64603   11.34316 1.000 31.12924 ?  143 GLU A CB  1 
ATOM   372  C CG  . GLU A 1 47 ? -17.58220 4.15392   10.77676 1.000 33.53518 ?  143 GLU A CG  1 
ATOM   373  C CD  . GLU A 1 47 ? -16.68310 5.29641   10.36094 1.000 42.35542 ?  143 GLU A CD  1 
ATOM   374  O OE1 . GLU A 1 47 ? -16.76415 6.35510   11.02020 1.000 38.52312 ?  143 GLU A OE1 1 
ATOM   375  O OE2 . GLU A 1 47 ? -15.86489 5.13726   9.42996  1.000 51.97064 ?  143 GLU A OE2 1 
ATOM   376  N N   . ASN A 1 48 ? -17.69647 2.67159   13.70132 1.000 27.45273 ?  144 ASN A N   1 
ATOM   377  C CA  . ASN A 1 48 ? -17.60395 1.32488   14.25679 1.000 27.30383 ?  144 ASN A CA  1 
ATOM   378  C C   . ASN A 1 48 ? -18.08118 1.27963   15.70328 1.000 27.27302 ?  144 ASN A C   1 
ATOM   379  O O   . ASN A 1 48 ? -18.52675 0.22745   16.17528 1.000 29.30624 ?  144 ASN A O   1 
ATOM   380  C CB  . ASN A 1 48 ? -16.16787 0.80516   14.15993 1.000 22.61312 ?  144 ASN A CB  1 
ATOM   381  C CG  . ASN A 1 48 ? -15.76356 0.47008   12.73792 1.000 29.28151 ?  144 ASN A CG  1 
ATOM   382  O OD1 . ASN A 1 48 ? -16.57794 0.53235   11.81713 1.000 30.78457 ?  144 ASN A OD1 1 
ATOM   383  N ND2 . ASN A 1 48 ? -14.49961 0.10615   12.55268 1.000 29.18296 ?  144 ASN A ND2 1 
ATOM   384  N N   . LEU A 1 49 ? -18.01109 2.40493   16.41217 1.000 24.91791 ?  145 LEU A N   1 
ATOM   385  C CA  . LEU A 1 49 ? -18.31836 2.44094   17.83653 1.000 21.77000 ?  145 LEU A CA  1 
ATOM   386  C C   . LEU A 1 49 ? -19.75268 2.85586   18.12660 1.000 28.13821 ?  145 LEU A C   1 
ATOM   387  O O   . LEU A 1 49 ? -20.26986 2.55144   19.20823 1.000 30.73148 ?  145 LEU A O   1 
ATOM   388  C CB  . LEU A 1 49 ? -17.37227 3.40839   18.55716 1.000 28.11409 ?  145 LEU A CB  1 
ATOM   389  C CG  . LEU A 1 49 ? -15.91882 3.02398   18.85621 1.000 28.19527 ?  145 LEU A CG  1 
ATOM   390  C CD1 . LEU A 1 49 ? -15.53642 1.66232   18.28797 1.000 23.94290 ?  145 LEU A CD1 1 
ATOM   391  C CD2 . LEU A 1 49 ? -14.98265 4.10917   18.33600 1.000 25.69953 ?  145 LEU A CD2 1 
ATOM   392  N N   . GLN A 1 50 ? -20.40770 3.53938   17.19084 1.000 32.64899 ?  146 GLN A N   1 
ATOM   393  C CA  . GLN A 1 50 ? -21.67856 4.20047   17.46306 1.000 44.80103 ?  146 GLN A CA  1 
ATOM   394  C C   . GLN A 1 50 ? -22.60675 4.02463   16.27274 1.000 37.73167 ?  146 GLN A C   1 
ATOM   395  O O   . GLN A 1 50 ? -22.29351 4.48085   15.16906 1.000 37.40475 ?  146 GLN A O   1 
ATOM   396  C CB  . GLN A 1 50 ? -21.45598 5.68860   17.75217 1.000 38.94843 ?  146 GLN A CB  1 
ATOM   397  C CG  . GLN A 1 50 ? -22.28255 6.25326   18.89546 1.000 45.37437 ?  146 GLN A CG  1 
ATOM   398  C CD  . GLN A 1 50 ? -22.23278 7.76918   18.94638 1.000 38.01290 ?  146 GLN A CD  1 
ATOM   399  O OE1 . GLN A 1 50 ? -21.87441 8.42310   17.96642 1.000 36.86158 ?  146 GLN A OE1 1 
ATOM   400  N NE2 . GLN A 1 50 ? -22.57369 8.33475   20.09827 1.000 43.94005 ?  146 GLN A NE2 1 
ATOM   401  N N   . SER A 1 51 ? -23.74643 3.37660   16.49636 1.000 38.90821 ?  147 SER A N   1 
ATOM   402  C CA  . SER A 1 51 ? -24.75316 3.27290   15.45406 1.000 41.79147 ?  147 SER A CA  1 
ATOM   403  C C   . SER A 1 51 ? -25.63434 4.51808   15.44760 1.000 48.47295 ?  147 SER A C   1 
ATOM   404  O O   . SER A 1 51 ? -25.64805 5.30829   16.39544 1.000 45.28156 ?  147 SER A O   1 
ATOM   405  C CB  . SER A 1 51 ? -25.61636 2.02436   15.64739 1.000 45.65719 ?  147 SER A CB  1 
ATOM   406  O OG  . SER A 1 51 ? -26.33116 2.07314   16.86966 1.000 44.90744 ?  147 SER A OG  1 
ATOM   407  N N   . ILE A 1 52 ? -26.37118 4.69172   14.34855 1.000 54.63122 ?  148 ILE A N   1 
ATOM   408  C CA  . ILE A 1 52 ? -27.34100 5.78087   14.27563 1.000 52.85307 ?  148 ILE A CA  1 
ATOM   409  C C   . ILE A 1 52 ? -28.39421 5.61905   15.36205 1.000 44.74525 ?  148 ILE A C   1 
ATOM   410  O O   . ILE A 1 52 ? -28.79421 6.59327   16.01325 1.000 45.69254 ?  148 ILE A O   1 
ATOM   411  C CB  . ILE A 1 52 ? -27.97561 5.84261   12.87282 1.000 53.45172 ?  148 ILE A CB  1 
ATOM   412  C CG1 . ILE A 1 52 ? -26.94997 6.30942   11.84021 1.000 55.69769 ?  148 ILE A CG1 1 
ATOM   413  C CG2 . ILE A 1 52 ? -29.18200 6.76947   12.86360 1.000 61.13865 ?  148 ILE A CG2 1 
ATOM   414  C CD1 . ILE A 1 52 ? -27.38886 6.09787   10.40910 1.000 61.31379 ?  148 ILE A CD1 1 
ATOM   415  N N   . ALA A 1 53 ? -28.85280 4.38296   15.58296 1.000 47.14166 ?  149 ALA A N   1 
ATOM   416  C CA  . ALA A 1 53 ? -29.82232 4.12377   16.64108 1.000 47.28463 ?  149 ALA A CA  1 
ATOM   417  C C   . ALA A 1 53 ? -29.28683 4.54427   18.00293 1.000 46.56307 ?  149 ALA A C   1 
ATOM   418  O O   . ALA A 1 53 ? -30.02180 5.11528   18.81641 1.000 43.14623 ?  149 ALA A O   1 
ATOM   419  C CB  . ALA A 1 53 ? -30.20518 2.64476   16.64847 1.000 45.98112 ?  149 ALA A CB  1 
ATOM   420  N N   . ASP A 1 54 ? -28.00705 4.26812   18.26812 1.000 40.47089 ?  150 ASP A N   1 
ATOM   421  C CA  . ASP A 1 54 ? -27.39365 4.70635   19.51905 1.000 44.71146 ?  150 ASP A CA  1 
ATOM   422  C C   . ASP A 1 54 ? -27.51529 6.21572   19.68709 1.000 41.08531 ?  150 ASP A C   1 
ATOM   423  O O   . ASP A 1 54 ? -27.91735 6.70528   20.74917 1.000 47.39812 ?  150 ASP A O   1 
ATOM   424  C CB  . ASP A 1 54 ? -25.92238 4.28381   19.56408 1.000 44.65449 ?  150 ASP A CB  1 
ATOM   425  C CG  . ASP A 1 54 ? -25.74557 2.78361   19.69453 1.000 47.28982 ?  150 ASP A CG  1 
ATOM   426  O OD1 . ASP A 1 54 ? -26.58194 2.14225   20.36268 1.000 48.77342 ?  150 ASP A OD1 1 
ATOM   427  O OD2 . ASP A 1 54 ? -24.77509 2.24478   19.11922 1.000 53.91103 -1 150 ASP A OD2 1 
ATOM   428  N N   . VAL A 1 55 ? -27.18078 6.96756   18.63528 1.000 37.64964 ?  151 VAL A N   1 
ATOM   429  C CA  . VAL A 1 55 ? -27.20324 8.42797   18.70209 1.000 37.86893 ?  151 VAL A CA  1 
ATOM   430  C C   . VAL A 1 55 ? -28.61150 8.93304   18.98922 1.000 38.37041 ?  151 VAL A C   1 
ATOM   431  O O   . VAL A 1 55 ? -28.81727 9.80651   19.84173 1.000 38.92326 ?  151 VAL A O   1 
ATOM   432  C CB  . VAL A 1 55 ? -26.64747 9.02619   17.39709 1.000 33.02041 ?  151 VAL A CB  1 
ATOM   433  C CG1 . VAL A 1 55 ? -26.64763 10.54125  17.46012 1.000 41.69670 ?  151 VAL A CG1 1 
ATOM   434  C CG2 . VAL A 1 55 ? -25.24593 8.50742   17.14010 1.000 43.49515 ?  151 VAL A CG2 1 
ATOM   435  N N   . ILE A 1 56 ? -29.60460 8.38841   18.28174 1.000 37.67420 ?  152 ILE A N   1 
ATOM   436  C CA  . ILE A 1 56 ? -30.97729 8.86891   18.42619 1.000 37.25041 ?  152 ILE A CA  1 
ATOM   437  C C   . ILE A 1 56 ? -31.50653 8.56088   19.82093 1.000 39.03041 ?  152 ILE A C   1 
ATOM   438  O O   . ILE A 1 56 ? -32.04354 9.43897   20.50662 1.000 41.50100 ?  152 ILE A O   1 
ATOM   439  C CB  . ILE A 1 56 ? -31.87590 8.26394   17.33271 1.000 37.29152 ?  152 ILE A CB  1 
ATOM   440  C CG1 . ILE A 1 56 ? -31.63702 8.98216   15.99954 1.000 38.59555 ?  152 ILE A CG1 1 
ATOM   441  C CG2 . ILE A 1 56 ? -33.33618 8.35220   17.72816 1.000 48.74829 ?  152 ILE A CG2 1 
ATOM   442  C CD1 . ILE A 1 56 ? -32.17427 8.24307   14.79857 1.000 46.99712 ?  152 ILE A CD1 1 
ATOM   443  N N   . ASP A 1 57 ? -31.36952 7.30593   20.26090 1.000 42.41731 ?  153 ASP A N   1 
ATOM   444  C CA  . ASP A 1 57 ? -31.79825 6.94999   21.61119 1.000 41.88838 ?  153 ASP A CA  1 
ATOM   445  C C   . ASP A 1 57 ? -31.12338 7.82917   22.65748 1.000 44.32770 ?  153 ASP A C   1 
ATOM   446  O O   . ASP A 1 57 ? -31.78313 8.31785   23.58231 1.000 50.12853 ?  153 ASP A O   1 
ATOM   447  C CB  . ASP A 1 57 ? -31.52217 5.46963   21.89505 1.000 48.18589 ?  153 ASP A CB  1 
ATOM   448  C CG  . ASP A 1 57 ? -32.46566 4.54109   21.14620 1.000 48.22995 ?  153 ASP A CG  1 
ATOM   449  O OD1 . ASP A 1 57 ? -33.48792 5.03250   20.62532 1.000 51.76447 ?  153 ASP A OD1 1 
ATOM   450  O OD2 . ASP A 1 57 ? -32.20105 3.31856   21.10063 1.000 60.06678 -1 153 ASP A OD2 1 
ATOM   451  N N   . ALA A 1 58 ? -29.81183 8.04814   22.52693 1.000 40.32697 ?  154 ALA A N   1 
ATOM   452  C CA  . ALA A 1 58 ? -29.11617 8.91746   23.47153 1.000 46.37403 ?  154 ALA A CA  1 
ATOM   453  C C   . ALA A 1 58 ? -29.70243 10.32387  23.46060 1.000 47.23820 ?  154 ALA A C   1 
ATOM   454  O O   . ALA A 1 58 ? -29.87534 10.94327  24.51713 1.000 53.83881 ?  154 ALA A O   1 
ATOM   455  C CB  . ALA A 1 58 ? -27.62305 8.95514   23.15038 1.000 40.52477 ?  154 ALA A CB  1 
ATOM   456  N N   . PHE A 1 59 ? -30.02635 10.83890  22.27388 1.000 45.20427 ?  155 PHE A N   1 
ATOM   457  C CA  . PHE A 1 59 ? -30.61950 12.16829  22.17481 1.000 41.63204 ?  155 PHE A CA  1 
ATOM   458  C C   . PHE A 1 59 ? -32.00012 12.20530  22.81761 1.000 44.54563 ?  155 PHE A C   1 
ATOM   459  O O   . PHE A 1 59 ? -32.28464 13.06575  23.65832 1.000 52.00906 ?  155 PHE A O   1 
ATOM   460  C CB  . PHE A 1 59 ? -30.69991 12.59459  20.70829 1.000 39.00393 ?  155 PHE A CB  1 
ATOM   461  C CG  . PHE A 1 59 ? -31.39623 13.90798  20.49741 1.000 44.47258 ?  155 PHE A CG  1 
ATOM   462  C CD1 . PHE A 1 59 ? -30.75502 15.10322  20.78035 1.000 44.19197 ?  155 PHE A CD1 1 
ATOM   463  C CD2 . PHE A 1 59 ? -32.69801 13.94611  20.02617 1.000 41.00252 ?  155 PHE A CD2 1 
ATOM   464  C CE1 . PHE A 1 59 ? -31.39946 16.31150  20.58875 1.000 42.40735 ?  155 PHE A CE1 1 
ATOM   465  C CE2 . PHE A 1 59 ? -33.34625 15.14928  19.83461 1.000 44.38954 ?  155 PHE A CE2 1 
ATOM   466  C CZ  . PHE A 1 59 ? -32.69667 16.33283  20.11684 1.000 39.34903 ?  155 PHE A CZ  1 
ATOM   467  N N   . GLU A 1 60 ? -32.87209 11.26958  22.43317 1.000 38.15194 ?  156 GLU A N   1 
ATOM   468  C CA  . GLU A 1 60 ? -34.25410 11.28997  22.90349 1.000 49.71578 ?  156 GLU A CA  1 
ATOM   469  C C   . GLU A 1 60 ? -34.34682 11.09341  24.41140 1.000 55.06542 ?  156 GLU A C   1 
ATOM   470  O O   . GLU A 1 60 ? -35.32981 11.51352  25.03258 1.000 46.38722 ?  156 GLU A O   1 
ATOM   471  C CB  . GLU A 1 60 ? -35.06383 10.21288  22.17942 1.000 42.87630 ?  156 GLU A CB  1 
ATOM   472  C CG  . GLU A 1 60 ? -35.24216 10.46740  20.68995 1.000 39.76042 ?  156 GLU A CG  1 
ATOM   473  C CD  . GLU A 1 60 ? -36.06120 9.39006   20.00991 1.000 38.13936 ?  156 GLU A CD  1 
ATOM   474  O OE1 . GLU A 1 60 ? -36.34856 8.36483   20.66234 1.000 41.98561 ?  156 GLU A OE1 1 
ATOM   475  O OE2 . GLU A 1 60 ? -36.41360 9.56534   18.82426 1.000 32.77468 -1 156 GLU A OE2 1 
ATOM   476  N N   . GLY A 1 61 ? -33.34204 10.46720  25.01639 1.000 51.35754 ?  157 GLY A N   1 
ATOM   477  C CA  . GLY A 1 61 ? -33.37546 10.19107  26.43865 1.000 52.51009 ?  157 GLY A CA  1 
ATOM   478  C C   . GLY A 1 61 ? -32.81997 11.30745  27.29834 1.000 50.86605 ?  157 GLY A C   1 
ATOM   479  O O   . GLY A 1 61 ? -33.09157 11.36251  28.50149 1.000 55.94044 ?  157 GLY A O   1 
ATOM   480  N N   . SER A 1 62 ? -32.04371 12.20303  26.69559 1.000 56.44118 ?  158 SER A N   1 
ATOM   481  C CA  . SER A 1 62 ? -31.41011 13.29156  27.43363 1.000 56.78629 ?  158 SER A CA  1 
ATOM   482  C C   . SER A 1 62 ? -32.43488 14.31966  27.90215 1.000 54.85007 ?  158 SER A C   1 
ATOM   483  O O   . SER A 1 62 ? -33.59222 14.29001  27.48660 1.000 56.10236 ?  158 SER A O   1 
ATOM   484  C CB  . SER A 1 62 ? -30.34008 13.96902  26.57369 1.000 58.36169 ?  158 SER A CB  1 
ATOM   485  O OG  . SER A 1 62 ? -30.89877 14.49572  25.38236 1.000 64.81623 ?  158 SER A OG  1 
ATOM   486  N N   . PRO B 1 5  ? -5.18678  -19.47786 5.88999  1.000 73.22023 ?  101 PRO B N   1 
ATOM   487  C CA  . PRO B 1 5  ? -3.77136  -19.64165 6.21458  1.000 64.95126 ?  101 PRO B CA  1 
ATOM   488  C C   . PRO B 1 5  ? -3.10761  -18.36651 6.72932  1.000 55.77276 ?  101 PRO B C   1 
ATOM   489  O O   . PRO B 1 5  ? -1.88657  -18.34128 6.87535  1.000 54.29421 ?  101 PRO B O   1 
ATOM   490  C CB  . PRO B 1 5  ? -3.18083  -20.06227 4.87374  1.000 74.45686 ?  101 PRO B CB  1 
ATOM   491  C CG  . PRO B 1 5  ? -4.27791  -20.91603 4.26222  1.000 80.49491 ?  101 PRO B CG  1 
ATOM   492  C CD  . PRO B 1 5  ? -5.60505  -20.46099 4.87441  1.000 80.49249 ?  101 PRO B CD  1 
ATOM   493  N N   . LYS B 1 6  ? -3.89687  -17.32772 6.99622  1.000 54.48922 ?  102 LYS B N   1 
ATOM   494  C CA  . LYS B 1 6  ? -3.35188  -16.08403 7.52349  1.000 39.19459 ?  102 LYS B CA  1 
ATOM   495  C C   . LYS B 1 6  ? -3.11513  -16.20962 9.02308  1.000 31.34506 ?  102 LYS B C   1 
ATOM   496  O O   . LYS B 1 6  ? -4.01252  -16.60762 9.77307  1.000 29.45014 ?  102 LYS B O   1 
ATOM   497  C CB  . LYS B 1 6  ? -4.29064  -14.91184 7.23893  1.000 45.09817 ?  102 LYS B CB  1 
ATOM   498  C CG  . LYS B 1 6  ? -4.10131  -14.26346 5.87548  1.000 49.12369 ?  102 LYS B CG  1 
ATOM   499  C CD  . LYS B 1 6  ? -5.43509  -13.86424 5.26799  1.000 57.15736 ?  102 LYS B CD  1 
ATOM   500  C CE  . LYS B 1 6  ? -5.55206  -14.29842 3.82144  1.000 59.62885 ?  102 LYS B CE  1 
ATOM   501  N NZ  . LYS B 1 6  ? -6.97680  -14.34409 3.39377  1.000 60.72068 ?  102 LYS B NZ  1 
ATOM   502  N N   . LEU B 1 7  ? -1.91039  -15.85794 9.45894  1.000 25.49263 ?  103 LEU B N   1 
ATOM   503  C CA  . LEU B 1 7  ? -1.52974  -15.95506 10.85949 1.000 28.70869 ?  103 LEU B CA  1 
ATOM   504  C C   . LEU B 1 7  ? -1.62655  -14.59860 11.54325 1.000 31.47408 ?  103 LEU B C   1 
ATOM   505  O O   . LEU B 1 7  ? -1.28621  -13.56637 10.95741 1.000 32.91222 ?  103 LEU B O   1 
ATOM   506  C CB  . LEU B 1 7  ? -0.10477  -16.49426 11.00441 1.000 26.65929 ?  103 LEU B CB  1 
ATOM   507  C CG  . LEU B 1 7  ? 0.16640   -17.93323 10.57066 1.000 25.81771 ?  103 LEU B CG  1 
ATOM   508  C CD1 . LEU B 1 7  ? 1.61371   -18.29950 10.86242 1.000 36.72088 ?  103 LEU B CD1 1 
ATOM   509  C CD2 . LEU B 1 7  ? -0.78353  -18.88448 11.27709 1.000 21.79992 ?  103 LEU B CD2 1 
ATOM   510  N N   . ASP B 1 8  ? -2.10047  -14.61031 12.78597 1.000 24.81952 ?  104 ASP B N   1 
ATOM   511  C CA  . ASP B 1 8  ? -1.90626  -13.46443 13.66048 1.000 22.19737 ?  104 ASP B CA  1 
ATOM   512  C C   . ASP B 1 8  ? -0.41118  -13.22492 13.83017 1.000 23.97284 ?  104 ASP B C   1 
ATOM   513  O O   . ASP B 1 8  ? 0.36949   -14.16855 13.97923 1.000 28.17717 ?  104 ASP B O   1 
ATOM   514  C CB  . ASP B 1 8  ? -2.57424  -13.71419 15.01511 1.000 24.78684 ?  104 ASP B CB  1 
ATOM   515  C CG  . ASP B 1 8  ? -2.52408  -12.50434 15.92793 1.000 27.11501 ?  104 ASP B CG  1 
ATOM   516  O OD1 . ASP B 1 8  ? -1.41547  -12.07787 16.30884 1.000 24.42264 ?  104 ASP B OD1 1 
ATOM   517  O OD2 . ASP B 1 8  ? -3.60550  -11.97711 16.26560 1.000 30.65813 ?  104 ASP B OD2 1 
ATOM   518  N N   . GLU B 1 9  ? -0.00353  -11.95478 13.79308 1.000 23.03481 ?  105 GLU B N   1 
ATOM   519  C CA  . GLU B 1 9  ? 1.42658   -11.66291 13.76839 1.000 25.46199 ?  105 GLU B CA  1 
ATOM   520  C C   . GLU B 1 9  ? 2.12547   -11.98791 15.08442 1.000 26.03631 ?  105 GLU B C   1 
ATOM   521  O O   . GLU B 1 9  ? 3.36014   -12.04668 15.11295 1.000 27.30192 ?  105 GLU B O   1 
ATOM   522  C CB  . GLU B 1 9  ? 1.67253   -10.19494 13.40927 1.000 27.00866 ?  105 GLU B CB  1 
ATOM   523  C CG  . GLU B 1 9  ? 1.36097   -9.84232  11.96430 1.000 30.19770 ?  105 GLU B CG  1 
ATOM   524  C CD  . GLU B 1 9  ? 1.73613   -8.41321  11.62311 1.000 33.82944 ?  105 GLU B CD  1 
ATOM   525  O OE1 . GLU B 1 9  ? 1.67402   -7.54671  12.52124 1.000 34.69599 ?  105 GLU B OE1 1 
ATOM   526  O OE2 . GLU B 1 9  ? 2.09884   -8.15847  10.45641 1.000 36.36987 ?  105 GLU B OE2 1 
ATOM   527  N N   . GLY B 1 10 ? 1.37624   -12.21469 16.16242 1.000 27.08526 ?  106 GLY B N   1 
ATOM   528  C CA  . GLY B 1 10 ? 1.96539   -12.38008 17.47263 1.000 24.35182 ?  106 GLY B CA  1 
ATOM   529  C C   . GLY B 1 10 ? 2.41712   -13.80312 17.76373 1.000 29.26459 ?  106 GLY B C   1 
ATOM   530  O O   . GLY B 1 10 ? 2.23164   -14.73635 16.98176 1.000 28.03457 ?  106 GLY B O   1 
ATOM   531  N N   . PHE B 1 11 ? 3.04957   -13.95138 18.92594 1.000 24.53050 ?  107 PHE B N   1 
ATOM   532  C CA  . PHE B 1 11 ? 3.43887   -15.24224 19.47837 1.000 28.15172 ?  107 PHE B CA  1 
ATOM   533  C C   . PHE B 1 11 ? 2.59240   -15.49799 20.71482 1.000 30.24676 ?  107 PHE B C   1 
ATOM   534  O O   . PHE B 1 11 ? 2.46057   -14.61520 21.56839 1.000 26.75636 ?  107 PHE B O   1 
ATOM   535  C CB  . PHE B 1 11 ? 4.92255   -15.26980 19.85528 1.000 27.03306 ?  107 PHE B CB  1 
ATOM   536  C CG  . PHE B 1 11 ? 5.85391   -15.26731 18.68026 1.000 35.25871 ?  107 PHE B CG  1 
ATOM   537  C CD1 . PHE B 1 11 ? 6.20600   -16.45403 18.06086 1.000 31.38975 ?  107 PHE B CD1 1 
ATOM   538  C CD2 . PHE B 1 11 ? 6.39499   -14.08205 18.20802 1.000 30.76263 ?  107 PHE B CD2 1 
ATOM   539  C CE1 . PHE B 1 11 ? 7.07041   -16.46128 16.98773 1.000 28.37588 ?  107 PHE B CE1 1 
ATOM   540  C CE2 . PHE B 1 11 ? 7.25847   -14.08482 17.13410 1.000 25.87170 ?  107 PHE B CE2 1 
ATOM   541  C CZ  . PHE B 1 11 ? 7.59953   -15.27715 16.52802 1.000 32.86013 ?  107 PHE B CZ  1 
ATOM   542  N N   . TYR B 1 12 ? 2.02445   -16.69684 20.81782 1.000 25.65189 ?  108 TYR B N   1 
ATOM   543  C CA  . TYR B 1 12 ? 1.09220   -16.99218 21.89473 1.000 27.69276 ?  108 TYR B CA  1 
ATOM   544  C C   . TYR B 1 12 ? 1.37971   -18.37528 22.45898 1.000 27.76396 ?  108 TYR B C   1 
ATOM   545  O O   . TYR B 1 12 ? 2.09853   -19.17797 21.85929 1.000 33.12243 ?  108 TYR B O   1 
ATOM   546  C CB  . TYR B 1 12 ? -0.35940  -16.89174 21.40495 1.000 24.92344 ?  108 TYR B CB  1 
ATOM   547  C CG  . TYR B 1 12 ? -0.65363  -15.57287 20.72680 1.000 25.00413 ?  108 TYR B CG  1 
ATOM   548  C CD1 . TYR B 1 12 ? -0.88828  -14.42211 21.46905 1.000 25.79769 ?  108 TYR B CD1 1 
ATOM   549  C CD2 . TYR B 1 12 ? -0.66806  -15.47349 19.34168 1.000 21.12266 ?  108 TYR B CD2 1 
ATOM   550  C CE1 . TYR B 1 12 ? -1.14461  -13.21326 20.84798 1.000 21.96731 ?  108 TYR B CE1 1 
ATOM   551  C CE2 . TYR B 1 12 ? -0.92261  -14.27147 18.71408 1.000 19.17226 ?  108 TYR B CE2 1 
ATOM   552  C CZ  . TYR B 1 12 ? -1.16034  -13.14513 19.46992 1.000 20.60056 ?  108 TYR B CZ  1 
ATOM   553  O OH  . TYR B 1 12 ? -1.41347  -11.94792 18.83968 1.000 21.77142 ?  108 TYR B OH  1 
ATOM   554  N N   . GLU B 1 13 ? 0.80739   -18.64012 23.63050 1.000 30.38355 ?  109 GLU B N   1 
ATOM   555  C CA  . GLU B 1 13 ? 1.00736   -19.89093 24.34706 1.000 32.32020 ?  109 GLU B CA  1 
ATOM   556  C C   . GLU B 1 13 ? -0.30400  -20.66129 24.43606 1.000 35.86850 ?  109 GLU B C   1 
ATOM   557  O O   . GLU B 1 13 ? -1.36002  -20.08326 24.71300 1.000 27.70915 ?  109 GLU B O   1 
ATOM   558  C CB  . GLU B 1 13 ? 1.55615   -19.63737 25.75621 1.000 34.38921 ?  109 GLU B CB  1 
ATOM   559  C CG  . GLU B 1 13 ? 2.88305   -18.88585 25.79016 1.000 39.70081 ?  109 GLU B CG  1 
ATOM   560  C CD  . GLU B 1 13 ? 3.58916   -18.99955 27.12993 1.000 52.34107 ?  109 GLU B CD  1 
ATOM   561  O OE1 . GLU B 1 13 ? 2.92474   -18.82180 28.17428 1.000 48.06453 ?  109 GLU B OE1 1 
ATOM   562  O OE2 . GLU B 1 13 ? 4.80847   -19.26848 27.14090 1.000 61.41047 -1 109 GLU B OE2 1 
ATOM   563  N N   . ILE B 1 14 ? -0.22719  -21.97054 24.20472 1.000 33.42183 ?  110 ILE B N   1 
ATOM   564  C CA  . ILE B 1 14 ? -1.39627  -22.83509 24.32408 1.000 29.34099 ?  110 ILE B CA  1 
ATOM   565  C C   . ILE B 1 14 ? -1.69531  -23.04952 25.80160 1.000 30.04269 ?  110 ILE B C   1 
ATOM   566  O O   . ILE B 1 14 ? -0.82858  -23.48232 26.56891 1.000 29.27762 ?  110 ILE B O   1 
ATOM   567  C CB  . ILE B 1 14 ? -1.16385  -24.17410 23.61167 1.000 26.91068 ?  110 ILE B CB  1 
ATOM   568  C CG1 . ILE B 1 14 ? -0.86170  -23.95456 22.12840 1.000 29.84495 ?  110 ILE B CG1 1 
ATOM   569  C CG2 . ILE B 1 14 ? -2.37621  -25.08066 23.77014 1.000 34.92527 ?  110 ILE B CG2 1 
ATOM   570  C CD1 . ILE B 1 14 ? -0.26952  -25.17247 21.46107 1.000 32.71994 ?  110 ILE B CD1 1 
ATOM   571  N N   . GLU B 1 15 ? -2.92309  -22.74381 26.21240 1.000 29.55348 ?  111 GLU B N   1 
ATOM   572  C CA  . GLU B 1 15 ? -3.32609  -23.05993 27.57684 1.000 34.23164 ?  111 GLU B CA  1 
ATOM   573  C C   . GLU B 1 15 ? -3.92857  -24.45660 27.66868 1.000 36.36120 ?  111 GLU B C   1 
ATOM   574  O O   . GLU B 1 15 ? -3.57650  -25.23054 28.56449 1.000 42.52064 ?  111 GLU B O   1 
ATOM   575  C CB  . GLU B 1 15 ? -4.31968  -22.02027 28.10573 1.000 35.19843 ?  111 GLU B CB  1 
ATOM   576  C CG  . GLU B 1 15 ? -4.91320  -22.39403 29.45641 1.000 38.28230 ?  111 GLU B CG  1 
ATOM   577  C CD  . GLU B 1 15 ? -5.84620  -21.33659 30.00779 1.000 44.91536 ?  111 GLU B CD  1 
ATOM   578  O OE1 . GLU B 1 15 ? -5.68660  -20.15246 29.64564 1.000 45.37731 ?  111 GLU B OE1 1 
ATOM   579  O OE2 . GLU B 1 15 ? -6.74231  -21.69086 30.80172 1.000 47.42246 -1 111 GLU B OE2 1 
ATOM   580  N N   . ALA B 1 16 ? -4.81934  -24.79824 26.74140 1.000 31.56980 ?  112 ALA B N   1 
ATOM   581  C CA  . ALA B 1 16 ? -5.45853  -26.10381 26.76166 1.000 31.99155 ?  112 ALA B CA  1 
ATOM   582  C C   . ALA B 1 16 ? -5.98448  -26.42980 25.37456 1.000 35.97528 ?  112 ALA B C   1 
ATOM   583  O O   . ALA B 1 16 ? -6.29603  -25.53351 24.58648 1.000 30.88411 ?  112 ALA B O   1 
ATOM   584  C CB  . ALA B 1 16 ? -6.59681  -26.15279 27.78486 1.000 29.92668 ?  112 ALA B CB  1 
ATOM   585  N N   . ILE B 1 17 ? -6.06905  -27.72381 25.08701 1.000 34.30599 ?  113 ILE B N   1 
ATOM   586  C CA  . ILE B 1 17 ? -6.73497  -28.21335 23.88637 1.000 32.01649 ?  113 ILE B CA  1 
ATOM   587  C C   . ILE B 1 17 ? -8.18276  -28.51339 24.24187 1.000 29.91452 ?  113 ILE B C   1 
ATOM   588  O O   . ILE B 1 17 ? -8.46299  -29.40729 25.04769 1.000 30.87300 ?  113 ILE B O   1 
ATOM   589  C CB  . ILE B 1 17 ? -6.03602  -29.45660 23.31852 1.000 30.20234 ?  113 ILE B CB  1 
ATOM   590  C CG1 . ILE B 1 17 ? -4.60896  -29.11399 22.88481 1.000 32.81729 ?  113 ILE B CG1 1 
ATOM   591  C CG2 . ILE B 1 17 ? -6.83105  -30.02391 22.15358 1.000 28.36526 ?  113 ILE B CG2 1 
ATOM   592  C CD1 . ILE B 1 17 ? -3.84160  -30.30152 22.35033 1.000 38.75486 ?  113 ILE B CD1 1 
ATOM   593  N N   . ARG B 1 18 ? -9.10465  -27.75944 23.64910 1.000 32.19192 ?  114 ARG B N   1 
ATOM   594  C CA  . ARG B 1 18 ? -10.51385 -27.94861 23.96271 1.000 29.50123 ?  114 ARG B CA  1 
ATOM   595  C C   . ARG B 1 18 ? -11.08813 -29.13672 23.20919 1.000 28.97025 ?  114 ARG B C   1 
ATOM   596  O O   . ARG B 1 18 ? -11.87395 -29.91185 23.76585 1.000 27.85911 ?  114 ARG B O   1 
ATOM   597  C CB  . ARG B 1 18 ? -11.30105 -26.68410 23.62447 1.000 32.68632 ?  114 ARG B CB  1 
ATOM   598  C CG  . ARG B 1 18 ? -11.02255 -25.53940 24.56627 1.000 30.08879 ?  114 ARG B CG  1 
ATOM   599  C CD  . ARG B 1 18 ? -11.71731 -25.75237 25.89066 1.000 35.25523 ?  114 ARG B CD  1 
ATOM   600  N NE  . ARG B 1 18 ? -11.50216 -24.62772 26.78862 1.000 28.61804 ?  114 ARG B NE  1 
ATOM   601  C CZ  . ARG B 1 18 ? -10.69629 -24.66488 27.83991 1.000 32.35918 ?  114 ARG B CZ  1 
ATOM   602  N NH1 . ARG B 1 18 ? -10.02124 -25.75762 28.15570 1.000 30.15205 ?  114 ARG B NH1 1 
ATOM   603  N NH2 . ARG B 1 18 ? -10.55857 -23.57651 28.58887 1.000 29.17250 ?  114 ARG B NH2 1 
ATOM   604  N N   . ARG B 1 19 ? -10.70463 -29.28702 21.94368 1.000 25.78875 ?  115 ARG B N   1 
ATOM   605  C CA  . ARG B 1 19 ? -11.25822 -30.30512 21.06716 1.000 28.46502 ?  115 ARG B CA  1 
ATOM   606  C C   . ARG B 1 19 ? -10.20542 -30.72131 20.05340 1.000 28.85885 ?  115 ARG B C   1 
ATOM   607  O O   . ARG B 1 19 ? -9.20443  -30.03011 19.84497 1.000 26.75389 ?  115 ARG B O   1 
ATOM   608  C CB  . ARG B 1 19 ? -12.50118 -29.79792 20.32810 1.000 25.86325 ?  115 ARG B CB  1 
ATOM   609  C CG  . ARG B 1 19 ? -13.65624 -29.36834 21.20807 1.000 26.58575 ?  115 ARG B CG  1 
ATOM   610  C CD  . ARG B 1 19 ? -14.89474 -29.19996 20.36571 1.000 23.47464 ?  115 ARG B CD  1 
ATOM   611  N NE  . ARG B 1 19 ? -15.29714 -30.45683 19.74986 1.000 30.13724 ?  115 ARG B NE  1 
ATOM   612  C CZ  . ARG B 1 19 ? -16.11283 -30.54501 18.70940 1.000 41.10831 ?  115 ARG B CZ  1 
ATOM   613  N NH1 . ARG B 1 19 ? -16.63059 -29.46782 18.14464 1.000 29.00522 ?  115 ARG B NH1 1 
ATOM   614  N NH2 . ARG B 1 19 ? -16.41168 -31.74301 18.21895 1.000 33.25134 ?  115 ARG B NH2 1 
ATOM   615  N N   . LYS B 1 20 ? -10.45417 -31.86069 19.41458 1.000 28.96045 ?  116 LYS B N   1 
ATOM   616  C CA  . LYS B 1 20 ? -9.67511  -32.30481 18.27070 1.000 20.10300 ?  116 LYS B CA  1 
ATOM   617  C C   . LYS B 1 20 ? -10.63194 -32.83412 17.21489 1.000 22.41856 ?  116 LYS B C   1 
ATOM   618  O O   . LYS B 1 20 ? -11.63891 -33.47046 17.54118 1.000 26.71962 ?  116 LYS B O   1 
ATOM   619  C CB  . LYS B 1 20 ? -8.66047  -33.38703 18.65795 1.000 29.18816 ?  116 LYS B CB  1 
ATOM   620  C CG  . LYS B 1 20 ? -7.73279  -33.80541 17.52747 1.000 26.01571 ?  116 LYS B CG  1 
ATOM   621  C CD  . LYS B 1 20 ? -6.72105  -34.82515 18.01119 1.000 40.80262 ?  116 LYS B CD  1 
ATOM   622  C CE  . LYS B 1 20 ? -7.15561  -36.22612 17.62975 1.000 33.91779 ?  116 LYS B CE  1 
ATOM   623  N NZ  . LYS B 1 20 ? -6.01632  -37.17570 17.48416 1.000 38.85441 ?  116 LYS B NZ  1 
ATOM   624  N N   . ARG B 1 21 ? -10.32308 -32.55787 15.95087 1.000 21.16959 ?  117 ARG B N   1 
ATOM   625  C CA  . ARG B 1 21 ? -11.16504 -33.00539 14.85169 1.000 27.14751 ?  117 ARG B CA  1 
ATOM   626  C C   . ARG B 1 21 ? -10.30179 -33.23605 13.62100 1.000 29.68595 ?  117 ARG B C   1 
ATOM   627  O O   . ARG B 1 21 ? -9.13758  -32.83305 13.56550 1.000 25.68233 ?  117 ARG B O   1 
ATOM   628  C CB  . ARG B 1 21 ? -12.27098 -31.99171 14.53232 1.000 25.96503 ?  117 ARG B CB  1 
ATOM   629  C CG  . ARG B 1 21 ? -11.79899 -30.83317 13.66592 1.000 27.02802 ?  117 ARG B CG  1 
ATOM   630  C CD  . ARG B 1 21 ? -12.86095 -29.75187 13.50873 1.000 29.21755 ?  117 ARG B CD  1 
ATOM   631  N NE  . ARG B 1 21 ? -12.34059 -28.59767 12.78482 1.000 32.21768 ?  117 ARG B NE  1 
ATOM   632  C CZ  . ARG B 1 21 ? -13.03133 -27.49635 12.52306 1.000 29.23666 ?  117 ARG B CZ  1 
ATOM   633  N NH1 . ARG B 1 21 ? -14.28101 -27.34965 12.92915 1.000 36.37456 ?  117 ARG B NH1 1 
ATOM   634  N NH2 . ARG B 1 21 ? -12.44997 -26.51370 11.84206 1.000 32.75995 ?  117 ARG B NH2 1 
ATOM   635  N N   . VAL B 1 22 ? -10.89394 -33.89359 12.62753 1.000 25.61093 ?  118 VAL B N   1 
ATOM   636  C CA  . VAL B 1 22 ? -10.28326 -34.08169 11.31603 1.000 29.20270 ?  118 VAL B CA  1 
ATOM   637  C C   . VAL B 1 22 ? -11.16724 -33.40921 10.27814 1.000 29.89779 ?  118 VAL B C   1 
ATOM   638  O O   . VAL B 1 22 ? -12.35694 -33.73195 10.16524 1.000 29.43059 ?  118 VAL B O   1 
ATOM   639  C CB  . VAL B 1 22 ? -10.07647 -35.56643 10.97884 1.000 30.91752 ?  118 VAL B CB  1 
ATOM   640  C CG1 . VAL B 1 22 ? -9.49815  -35.71170 9.58474  1.000 32.02588 ?  118 VAL B CG1 1 
ATOM   641  C CG2 . VAL B 1 22 ? -9.12842  -36.18992 11.96850 1.000 36.13839 ?  118 VAL B CG2 1 
ATOM   642  N N   . ARG B 1 23 ? -10.58668 -32.47374 9.52846  1.000 29.82900 ?  119 ARG B N   1 
ATOM   643  C CA  . ARG B 1 23 ? -11.25110 -31.79421 8.42474  1.000 38.64080 ?  119 ARG B CA  1 
ATOM   644  C C   . ARG B 1 23 ? -10.37993 -31.91327 7.18315  1.000 39.71946 ?  119 ARG B C   1 
ATOM   645  O O   . ARG B 1 23 ? -9.19888  -31.55070 7.21137  1.000 46.92372 ?  119 ARG B O   1 
ATOM   646  C CB  . ARG B 1 23 ? -11.50908 -30.31779 8.75169  1.000 35.37841 ?  119 ARG B CB  1 
ATOM   647  C CG  . ARG B 1 23 ? -12.39089 -29.57920 7.74597  1.000 39.53579 ?  119 ARG B CG  1 
ATOM   648  C CD  . ARG B 1 23 ? -12.92827 -28.28356 8.34751  1.000 41.57795 ?  119 ARG B CD  1 
ATOM   649  N NE  . ARG B 1 23 ? -14.14207 -28.47351 9.13261  1.000 36.34523 ?  119 ARG B NE  1 
ATOM   650  C CZ  . ARG B 1 23 ? -14.88644 -27.48393 9.60855  1.000 40.79713 ?  119 ARG B CZ  1 
ATOM   651  N NH1 . ARG B 1 23 ? -14.56991 -26.21588 9.40024  1.000 37.60896 ?  119 ARG B NH1 1 
ATOM   652  N NH2 . ARG B 1 23 ? -15.96675 -27.77366 10.32656 1.000 37.32143 ?  119 ARG B NH2 1 
ATOM   653  N N   . LYS B 1 24 ? -10.96680 -32.43043 6.10446  1.000 52.48437 ?  120 LYS B N   1 
ATOM   654  C CA  . LYS B 1 24 ? -10.28892 -32.59319 4.81629  1.000 52.23473 ?  120 LYS B CA  1 
ATOM   655  C C   . LYS B 1 24 ? -9.03484  -33.45904 4.95549  1.000 48.32752 ?  120 LYS B C   1 
ATOM   656  O O   . LYS B 1 24 ? -8.01155  -33.21861 4.30850  1.000 54.69507 ?  120 LYS B O   1 
ATOM   657  C CB  . LYS B 1 24 ? -9.96164  -31.23055 4.19437  1.000 53.55057 ?  120 LYS B CB  1 
ATOM   658  C CG  . LYS B 1 24 ? -9.64397  -31.27423 2.70715  1.000 62.21683 ?  120 LYS B CG  1 
ATOM   659  C CD  . LYS B 1 24 ? -10.64570 -30.45228 1.92576  1.000 70.26852 ?  120 LYS B CD  1 
ATOM   660  C CE  . LYS B 1 24 ? -10.81035 -30.98174 0.51579  1.000 72.46019 ?  120 LYS B CE  1 
ATOM   661  N NZ  . LYS B 1 24 ? -12.06944 -31.76251 0.36460  1.000 61.37041 ?  120 LYS B NZ  1 
ATOM   662  N N   . GLY B 1 25 ? -9.10841  -34.47454 5.81552  1.000 44.02000 ?  121 GLY B N   1 
ATOM   663  C CA  . GLY B 1 25 ? -7.98982  -35.36322 6.06375  1.000 43.10603 ?  121 GLY B CA  1 
ATOM   664  C C   . GLY B 1 25 ? -6.87356  -34.79192 6.90957  1.000 50.02362 ?  121 GLY B C   1 
ATOM   665  O O   . GLY B 1 25 ? -5.81711  -35.42555 7.02136  1.000 43.28555 ?  121 GLY B O   1 
ATOM   666  N N   . LYS B 1 26 ? -7.06450  -33.61966 7.50807  1.000 49.34475 ?  122 LYS B N   1 
ATOM   667  C CA  . LYS B 1 26 ? -6.05689  -32.99550 8.35409  1.000 45.22481 ?  122 LYS B CA  1 
ATOM   668  C C   . LYS B 1 26 ? -6.60166  -32.78293 9.75759  1.000 34.74541 ?  122 LYS B C   1 
ATOM   669  O O   . LYS B 1 26 ? -7.73787  -32.32927 9.92853  1.000 33.69699 ?  122 LYS B O   1 
ATOM   670  C CB  . LYS B 1 26 ? -5.57743  -31.66712 7.76288  1.000 45.45672 ?  122 LYS B CB  1 
ATOM   671  C CG  . LYS B 1 26 ? -4.98959  -31.77931 6.36582  1.000 52.28993 ?  122 LYS B CG  1 
ATOM   672  C CD  . LYS B 1 26 ? -3.70217  -32.59845 6.39657  1.000 54.74782 ?  122 LYS B CD  1 
ATOM   673  C CE  . LYS B 1 26 ? -3.06462  -32.70829 5.02176  1.000 58.53322 ?  122 LYS B CE  1 
ATOM   674  N NZ  . LYS B 1 26 ? -3.93240  -32.13603 3.95585  1.000 69.75328 ?  122 LYS B NZ  1 
ATOM   675  N N   . VAL B 1 27 ? -5.78103  -33.11247 10.75485 1.000 28.90522 ?  123 VAL B N   1 
ATOM   676  C CA  . VAL B 1 27 ? -6.16234  -32.93003 12.14766 1.000 27.40300 ?  123 VAL B CA  1 
ATOM   677  C C   . VAL B 1 27 ? -6.09295  -31.45377 12.51227 1.000 32.72598 ?  123 VAL B C   1 
ATOM   678  O O   . VAL B 1 27 ? -5.19058  -30.72479 12.07574 1.000 28.71425 ?  123 VAL B O   1 
ATOM   679  C CB  . VAL B 1 27 ? -5.25120  -33.77506 13.05488 1.000 28.10894 ?  123 VAL B CB  1 
ATOM   680  C CG1 . VAL B 1 27 ? -5.50641  -33.47234 14.52506 1.000 23.09742 ?  123 VAL B CG1 1 
ATOM   681  C CG2 . VAL B 1 27 ? -5.45046  -35.26011 12.76884 1.000 29.95462 ?  123 VAL B CG2 1 
ATOM   682  N N   . GLN B 1 28 ? -7.06294  -30.99864 13.30247 1.000 26.45334 ?  124 GLN B N   1 
ATOM   683  C CA  . GLN B 1 28 ? -7.06839  -29.65235 13.85166 1.000 23.71827 ?  124 GLN B CA  1 
ATOM   684  C C   . GLN B 1 28 ? -7.40716  -29.71492 15.33287 1.000 27.35129 ?  124 GLN B C   1 
ATOM   685  O O   . GLN B 1 28 ? -8.16424  -30.58252 15.77667 1.000 27.80580 ?  124 GLN B O   1 
ATOM   686  C CB  . GLN B 1 28 ? -8.07223  -28.74308 13.13363 1.000 26.73992 ?  124 GLN B CB  1 
ATOM   687  C CG  . GLN B 1 28 ? -7.81893  -28.57195 11.64816 1.000 34.76282 ?  124 GLN B CG  1 
ATOM   688  C CD  . GLN B 1 28 ? -8.85473  -27.68381 10.98844 1.000 36.37041 ?  124 GLN B CD  1 
ATOM   689  O OE1 . GLN B 1 28 ? -10.02453 -27.68420 11.37234 1.000 35.65528 ?  124 GLN B OE1 1 
ATOM   690  N NE2 . GLN B 1 28 ? -8.42802  -26.91488 9.99398  1.000 43.89885 ?  124 GLN B NE2 1 
ATOM   691  N N   . TYR B 1 29 ? -6.83739  -28.78637 16.09449 1.000 21.53849 ?  125 TYR B N   1 
ATOM   692  C CA  . TYR B 1 29 ? -7.07909  -28.67902 17.52506 1.000 21.80154 ?  125 TYR B CA  1 
ATOM   693  C C   . TYR B 1 29 ? -7.72986  -27.33795 17.82436 1.000 19.66124 ?  125 TYR B C   1 
ATOM   694  O O   . TYR B 1 29 ? -7.30650  -26.30289 17.30030 1.000 25.14660 ?  125 TYR B O   1 
ATOM   695  C CB  . TYR B 1 29 ? -5.77879  -28.80641 18.32862 1.000 20.17081 ?  125 TYR B CB  1 
ATOM   696  C CG  . TYR B 1 29 ? -5.00797  -30.07756 18.06918 1.000 23.38715 ?  125 TYR B CG  1 
ATOM   697  C CD1 . TYR B 1 29 ? -4.08947  -30.15081 17.03091 1.000 24.30292 ?  125 TYR B CD1 1 
ATOM   698  C CD2 . TYR B 1 29 ? -5.19347  -31.20147 18.86158 1.000 23.97196 ?  125 TYR B CD2 1 
ATOM   699  C CE1 . TYR B 1 29 ? -3.37813  -31.30571 16.78634 1.000 30.63774 ?  125 TYR B CE1 1 
ATOM   700  C CE2 . TYR B 1 29 ? -4.48392  -32.36133 18.62544 1.000 24.21141 ?  125 TYR B CE2 1 
ATOM   701  C CZ  . TYR B 1 29 ? -3.57972  -32.40905 17.58496 1.000 29.02485 ?  125 TYR B CZ  1 
ATOM   702  O OH  . TYR B 1 29 ? -2.87051  -33.56349 17.34199 1.000 31.32467 ?  125 TYR B OH  1 
ATOM   703  N N   . LEU B 1 30 ? -8.76554  -27.36366 18.65803 1.000 19.67846 ?  126 LEU B N   1 
ATOM   704  C CA  . LEU B 1 30 ? -9.41329  -26.14704 19.13419 1.000 20.83108 ?  126 LEU B CA  1 
ATOM   705  C C   . LEU B 1 30 ? -8.65001  -25.67042 20.36526 1.000 26.77931 ?  126 LEU B C   1 
ATOM   706  O O   . LEU B 1 30 ? -8.69747  -26.31071 21.42050 1.000 26.00657 ?  126 LEU B O   1 
ATOM   707  C CB  . LEU B 1 30 ? -10.88465 -26.40467 19.44818 1.000 20.96350 ?  126 LEU B CB  1 
ATOM   708  C CG  . LEU B 1 30 ? -11.70667 -25.21984 19.95116 1.000 20.88205 ?  126 LEU B CG  1 
ATOM   709  C CD1 . LEU B 1 30 ? -11.70008 -24.10198 18.92027 1.000 19.70318 ?  126 LEU B CD1 1 
ATOM   710  C CD2 . LEU B 1 30 ? -13.12355 -25.65604 20.26118 1.000 22.88669 ?  126 LEU B CD2 1 
ATOM   711  N N   . ILE B 1 31 ? -7.94435  -24.55009 20.23010 1.000 24.80576 ?  127 ILE B N   1 
ATOM   712  C CA  . ILE B 1 31 ? -6.99077  -24.08603 21.23235 1.000 20.47746 ?  127 ILE B CA  1 
ATOM   713  C C   . ILE B 1 31 ? -7.61966  -22.99382 22.08218 1.000 23.32493 ?  127 ILE B C   1 
ATOM   714  O O   . ILE B 1 31 ? -8.17566  -22.02341 21.55309 1.000 22.20943 ?  127 ILE B O   1 
ATOM   715  C CB  . ILE B 1 31 ? -5.69606  -23.57605 20.57482 1.000 24.00712 ?  127 ILE B CB  1 
ATOM   716  C CG1 . ILE B 1 31 ? -5.03204  -24.69217 19.76349 1.000 25.37877 ?  127 ILE B CG1 1 
ATOM   717  C CG2 . ILE B 1 31 ? -4.74730  -23.00385 21.62712 1.000 22.56175 ?  127 ILE B CG2 1 
ATOM   718  C CD1 . ILE B 1 31 ? -4.63596  -25.88729 20.60363 1.000 28.95445 ?  127 ILE B CD1 1 
ATOM   719  N N   . LYS B 1 32 ? -7.52709  -23.15097 23.39928 1.000 24.46885 ?  128 LYS B N   1 
ATOM   720  C CA  . LYS B 1 32 ? -7.70518  -22.04603 24.32879 1.000 27.67220 ?  128 LYS B CA  1 
ATOM   721  C C   . LYS B 1 32 ? -6.34705  -21.37833 24.50648 1.000 26.14764 ?  128 LYS B C   1 
ATOM   722  O O   . LYS B 1 32 ? -5.36134  -22.04762 24.83375 1.000 24.27012 ?  128 LYS B O   1 
ATOM   723  C CB  . LYS B 1 32 ? -8.26263  -22.54154 25.66283 1.000 24.89116 ?  128 LYS B CB  1 
ATOM   724  C CG  . LYS B 1 32 ? -8.19986  -21.53192 26.79835 1.000 31.98338 ?  128 LYS B CG  1 
ATOM   725  C CD  . LYS B 1 32 ? -9.05406  -20.30382 26.52139 1.000 29.11556 ?  128 LYS B CD  1 
ATOM   726  C CE  . LYS B 1 32 ? -9.17697  -19.43169 27.76406 1.000 31.82594 ?  128 LYS B CE  1 
ATOM   727  N NZ  . LYS B 1 32 ? -7.89816  -18.75555 28.12547 1.000 32.80489 ?  128 LYS B NZ  1 
ATOM   728  N N   . TRP B 1 33 ? -6.28560  -20.07474 24.26003 1.000 26.27159 ?  129 TRP B N   1 
ATOM   729  C CA  . TRP B 1 33 ? -5.02040  -19.35616 24.28976 1.000 23.18850 ?  129 TRP B CA  1 
ATOM   730  C C   . TRP B 1 33 ? -4.79853  -18.72400 25.65477 1.000 27.42474 ?  129 TRP B C   1 
ATOM   731  O O   . TRP B 1 33 ? -5.72015  -18.15871 26.24923 1.000 28.51933 ?  129 TRP B O   1 
ATOM   732  C CB  . TRP B 1 33 ? -4.98313  -18.28666 23.19905 1.000 24.13628 ?  129 TRP B CB  1 
ATOM   733  C CG  . TRP B 1 33 ? -5.03189  -18.87361 21.83002 1.000 21.78330 ?  129 TRP B CG  1 
ATOM   734  C CD1 . TRP B 1 33 ? -6.11620  -18.94222 21.00787 1.000 21.12061 ?  129 TRP B CD1 1 
ATOM   735  C CD2 . TRP B 1 33 ? -3.94968  -19.49145 21.12218 1.000 24.07445 ?  129 TRP B CD2 1 
ATOM   736  N NE1 . TRP B 1 33 ? -5.77816  -19.56283 19.83076 1.000 20.45571 ?  129 TRP B NE1 1 
ATOM   737  C CE2 . TRP B 1 33 ? -4.45250  -19.90719 19.87436 1.000 19.83791 ?  129 TRP B CE2 1 
ATOM   738  C CE3 . TRP B 1 33 ? -2.60412  -19.73121 21.42164 1.000 23.48040 ?  129 TRP B CE3 1 
ATOM   739  C CZ2 . TRP B 1 33 ? -3.65830  -20.54840 18.92488 1.000 17.99289 ?  129 TRP B CZ2 1 
ATOM   740  C CZ3 . TRP B 1 33 ? -1.81652  -20.36871 20.47642 1.000 27.33721 ?  129 TRP B CZ3 1 
ATOM   741  C CH2 . TRP B 1 33 ? -2.34682  -20.76942 19.24402 1.000 22.39347 ?  129 TRP B CH2 1 
ATOM   742  N N   . ARG B 1 34 ? -3.56819  -18.82910 26.15188 1.000 27.15007 ?  130 ARG B N   1 
ATOM   743  C CA  . ARG B 1 34 ? -3.25195  -18.26979 27.46098 1.000 35.06083 ?  130 ARG B CA  1 
ATOM   744  C C   . ARG B 1 34 ? -3.37831  -16.74930 27.43872 1.000 28.86839 ?  130 ARG B C   1 
ATOM   745  O O   . ARG B 1 34 ? -2.86221  -16.07892 26.53839 1.000 29.74038 ?  130 ARG B O   1 
ATOM   746  C CB  . ARG B 1 34 ? -1.83877  -18.67159 27.90004 1.000 32.96340 ?  130 ARG B CB  1 
ATOM   747  C CG  . ARG B 1 34 ? -1.39852  -18.04588 29.23458 1.000 41.03561 ?  130 ARG B CG  1 
ATOM   748  C CD  . ARG B 1 34 ? -1.92001  -18.79331 30.41968 1.000 48.19010 ?  130 ARG B CD  1 
ATOM   749  N NE  . ARG B 1 34 ? -1.41627  -20.15386 30.31882 1.000 53.35569 ?  130 ARG B NE  1 
ATOM   750  C CZ  . ARG B 1 34 ? -1.80529  -21.17469 31.06598 1.000 47.90879 ?  130 ARG B CZ  1 
ATOM   751  N NH1 . ARG B 1 34 ? -2.75145  -21.04381 31.97941 1.000 44.39300 ?  130 ARG B NH1 1 
ATOM   752  N NH2 . ARG B 1 34 ? -1.24399  -22.36459 30.87351 1.000 46.49512 ?  130 ARG B NH2 1 
ATOM   753  N N   . GLY B 1 35 ? -4.04757  -16.20481 28.45236 1.000 31.16687 ?  131 GLY B N   1 
ATOM   754  C CA  . GLY B 1 35 ? -4.23788  -14.77252 28.54928 1.000 34.18126 ?  131 GLY B CA  1 
ATOM   755  C C   . GLY B 1 35 ? -5.28283  -14.19886 27.62068 1.000 32.09426 ?  131 GLY B C   1 
ATOM   756  O O   . GLY B 1 35 ? -5.33687  -12.97481 27.45430 1.000 29.69302 ?  131 GLY B O   1 
ATOM   757  N N   . TRP B 1 36 ? -6.11170  -15.03760 27.00993 1.000 27.59717 ?  132 TRP B N   1 
ATOM   758  C CA  . TRP B 1 36 ? -7.15121  -14.60483 26.09294 1.000 26.24034 ?  132 TRP B CA  1 
ATOM   759  C C   . TRP B 1 36 ? -8.44995  -15.31902 26.42565 1.000 29.79344 ?  132 TRP B C   1 
ATOM   760  O O   . TRP B 1 36 ? -8.43106  -16.45596 26.90758 1.000 29.08129 ?  132 TRP B O   1 
ATOM   761  C CB  . TRP B 1 36 ? -6.75145  -14.88831 24.63743 1.000 26.07906 ?  132 TRP B CB  1 
ATOM   762  C CG  . TRP B 1 36 ? -5.58625  -14.06307 24.18457 1.000 25.54069 ?  132 TRP B CG  1 
ATOM   763  C CD1 . TRP B 1 36 ? -4.26832  -14.28211 24.46448 1.000 30.08706 ?  132 TRP B CD1 1 
ATOM   764  C CD2 . TRP B 1 36 ? -5.63389  -12.87852 23.38042 1.000 23.02833 ?  132 TRP B CD2 1 
ATOM   765  N NE1 . TRP B 1 36 ? -3.49303  -13.30995 23.88126 1.000 29.27870 ?  132 TRP B NE1 1 
ATOM   766  C CE2 . TRP B 1 36 ? -4.30707  -12.43635 23.20898 1.000 26.61271 ?  132 TRP B CE2 1 
ATOM   767  C CE3 . TRP B 1 36 ? -6.66903  -12.15113 22.78614 1.000 20.98764 ?  132 TRP B CE3 1 
ATOM   768  C CZ2 . TRP B 1 36 ? -3.98814  -11.29954 22.46872 1.000 24.70314 ?  132 TRP B CZ2 1 
ATOM   769  C CZ3 . TRP B 1 36 ? -6.35138  -11.02203 22.05062 1.000 22.17078 ?  132 TRP B CZ3 1 
ATOM   770  C CH2 . TRP B 1 36 ? -5.02234  -10.60700 21.89885 1.000 20.11254 ?  132 TRP B CH2 1 
ATOM   771  N N   . PRO B 1 37 ? -9.59219  -14.67642 26.19510 1.000 27.97048 ?  133 PRO B N   1 
ATOM   772  C CA  . PRO B 1 37 ? -10.87076 -15.27746 26.58492 1.000 27.43376 ?  133 PRO B CA  1 
ATOM   773  C C   . PRO B 1 37 ? -11.21213 -16.49320 25.73766 1.000 26.13271 ?  133 PRO B C   1 
ATOM   774  O O   . PRO B 1 37 ? -10.63523 -16.73320 24.67485 1.000 23.03191 ?  133 PRO B O   1 
ATOM   775  C CB  . PRO B 1 37 ? -11.87404 -14.14372 26.35457 1.000 27.16838 ?  133 PRO B CB  1 
ATOM   776  C CG  . PRO B 1 37 ? -11.23911 -13.32039 25.28234 1.000 23.83151 ?  133 PRO B CG  1 
ATOM   777  C CD  . PRO B 1 37 ? -9.77578  -13.33862 25.60610 1.000 24.03467 ?  133 PRO B CD  1 
ATOM   778  N N   . GLU B 1 38 ? -12.17332 -17.27324 26.24258 1.000 25.32526 ?  134 GLU B N   1 
ATOM   779  C CA  . GLU B 1 38 ? -12.64869 -18.44273 25.51090 1.000 26.06891 ?  134 GLU B CA  1 
ATOM   780  C C   . GLU B 1 38 ? -13.18770 -18.06163 24.14172 1.000 24.53022 ?  134 GLU B C   1 
ATOM   781  O O   . GLU B 1 38 ? -13.06094 -18.83482 23.18684 1.000 24.52654 ?  134 GLU B O   1 
ATOM   782  C CB  . GLU B 1 38 ? -13.72530 -19.16777 26.31900 1.000 31.55277 ?  134 GLU B CB  1 
ATOM   783  C CG  . GLU B 1 38 ? -13.21539 -19.87412 27.56694 1.000 42.68313 ?  134 GLU B CG  1 
ATOM   784  C CD  . GLU B 1 38 ? -12.46787 -21.15364 27.24185 1.000 26.10096 ?  134 GLU B CD  1 
ATOM   785  O OE1 . GLU B 1 38 ? -12.83799 -21.82248 26.25211 1.000 36.14812 ?  134 GLU B OE1 1 
ATOM   786  O OE2 . GLU B 1 38 ? -11.52851 -21.50829 27.98609 1.000 38.99646 -1 134 GLU B OE2 1 
ATOM   787  N N   . THR B 1 39 ? -13.77961 -16.87350 24.02283 1.000 23.89183 ?  135 THR B N   1 
ATOM   788  C CA  . THR B 1 39 ? -14.28762 -16.39492 22.74411 1.000 27.13979 ?  135 THR B CA  1 
ATOM   789  C C   . THR B 1 39 ? -13.18550 -16.18703 21.71143 1.000 22.30654 ?  135 THR B C   1 
ATOM   790  O O   . THR B 1 39 ? -13.49521 -15.91916 20.54602 1.000 24.74761 ?  135 THR B O   1 
ATOM   791  C CB  . THR B 1 39 ? -15.06198 -15.09020 22.94969 1.000 26.28293 ?  135 THR B CB  1 
ATOM   792  O OG1 . THR B 1 39 ? -14.26446 -14.17811 23.71495 1.000 25.57941 ?  135 THR B OG1 1 
ATOM   793  C CG2 . THR B 1 39 ? -16.36616 -15.35898 23.69071 1.000 26.38723 ?  135 THR B CG2 1 
ATOM   794  N N   . ALA B 1 40 ? -11.91847 -16.30539 22.10396 1.000 23.52077 ?  136 ALA B N   1 
ATOM   795  C CA  . ALA B 1 40 ? -10.79071 -16.17556 21.19234 1.000 23.47176 ?  136 ALA B CA  1 
ATOM   796  C C   . ALA B 1 40 ? -10.25375 -17.51761 20.71634 1.000 21.62665 ?  136 ALA B C   1 
ATOM   797  O O   . ALA B 1 40 ? -9.27679  -17.54281 19.96132 1.000 21.71905 ?  136 ALA B O   1 
ATOM   798  C CB  . ALA B 1 40 ? -9.66218  -15.38223 21.85866 1.000 23.30636 ?  136 ALA B CB  1 
ATOM   799  N N   . ASN B 1 41 ? -10.86307 -18.62420 21.14102 1.000 24.72290 ?  137 ASN B N   1 
ATOM   800  C CA  . ASN B 1 41 ? -10.39484 -19.94767 20.74987 1.000 23.01612 ?  137 ASN B CA  1 
ATOM   801  C C   . ASN B 1 41 ? -10.37575 -20.09252 19.23249 1.000 24.13500 ?  137 ASN B C   1 
ATOM   802  O O   . ASN B 1 41 ? -11.24647 -19.57236 18.52996 1.000 20.53751 ?  137 ASN B O   1 
ATOM   803  C CB  . ASN B 1 41 ? -11.28389 -21.03071 21.37015 1.000 24.38032 ?  137 ASN B CB  1 
ATOM   804  C CG  . ASN B 1 41 ? -11.14361 -21.11593 22.88261 1.000 23.81490 ?  137 ASN B CG  1 
ATOM   805  O OD1 . ASN B 1 41 ? -10.37641 -20.37242 23.49173 1.000 27.52859 ?  137 ASN B OD1 1 
ATOM   806  N ND2 . ASN B 1 41 ? -11.89534 -22.02620 23.49516 1.000 28.72028 ?  137 ASN B ND2 1 
ATOM   807  N N   . THR B 1 42 ? -9.36407  -20.79865 18.72677 1.000 24.51351 ?  138 THR B N   1 
ATOM   808  C CA  . THR B 1 42 ? -9.20376  -21.02638 17.29860 1.000 19.00153 ?  138 THR B CA  1 
ATOM   809  C C   . THR B 1 42 ? -8.88176  -22.49063 17.02721 1.000 18.94735 ?  138 THR B C   1 
ATOM   810  O O   . THR B 1 42 ? -8.26424  -23.17372 17.84915 1.000 20.61664 ?  138 THR B O   1 
ATOM   811  C CB  . THR B 1 42 ? -8.08775  -20.14204 16.70104 1.000 19.17699 ?  138 THR B CB  1 
ATOM   812  O OG1 . THR B 1 42 ? -6.83375  -20.45734 17.32445 1.000 18.38861 ?  138 THR B OG1 1 
ATOM   813  C CG2 . THR B 1 42 ? -8.39785  -18.66041 16.87805 1.000 23.04126 ?  138 THR B CG2 1 
ATOM   814  N N   . TRP B 1 43 ? -9.32043  -22.96667 15.86251 1.000 24.11931 ?  139 TRP B N   1 
ATOM   815  C CA  . TRP B 1 43 ? -8.93154  -24.27593 15.35035 1.000 20.74174 ?  139 TRP B CA  1 
ATOM   816  C C   . TRP B 1 43 ? -7.60609  -24.13502 14.60973 1.000 20.06709 ?  139 TRP B C   1 
ATOM   817  O O   . TRP B 1 43 ? -7.47419  -23.28278 13.72488 1.000 23.87194 ?  139 TRP B O   1 
ATOM   818  C CB  . TRP B 1 43 ? -9.99643  -24.84560 14.40681 1.000 22.42983 ?  139 TRP B CB  1 
ATOM   819  C CG  . TRP B 1 43 ? -11.28876 -25.25679 15.06147 1.000 21.53640 ?  139 TRP B CG  1 
ATOM   820  C CD1 . TRP B 1 43 ? -12.42454 -24.50796 15.17366 1.000 25.14717 ?  139 TRP B CD1 1 
ATOM   821  C CD2 . TRP B 1 43 ? -11.58215 -26.52189 15.66685 1.000 21.09581 ?  139 TRP B CD2 1 
ATOM   822  N NE1 . TRP B 1 43 ? -13.40176 -25.22347 15.82160 1.000 23.43814 ?  139 TRP B NE1 1 
ATOM   823  C CE2 . TRP B 1 43 ? -12.90983 -26.46313 16.13523 1.000 20.81623 ?  139 TRP B CE2 1 
ATOM   824  C CE3 . TRP B 1 43 ? -10.84919 -27.69490 15.86490 1.000 19.74539 ?  139 TRP B CE3 1 
ATOM   825  C CZ2 . TRP B 1 43 ? -13.51879 -27.53180 16.78926 1.000 20.59372 ?  139 TRP B CZ2 1 
ATOM   826  C CZ3 . TRP B 1 43 ? -11.45456 -28.75384 16.51588 1.000 21.85742 ?  139 TRP B CZ3 1 
ATOM   827  C CH2 . TRP B 1 43 ? -12.77709 -28.66609 16.96808 1.000 24.75668 ?  139 TRP B CH2 1 
ATOM   828  N N   . GLU B 1 44 ? -6.62749  -24.96816 14.96638 1.000 25.48434 ?  140 GLU B N   1 
ATOM   829  C CA  . GLU B 1 44 ? -5.28497  -24.82672 14.41741 1.000 21.64633 ?  140 GLU B CA  1 
ATOM   830  C C   . GLU B 1 44 ? -4.72424  -26.15237 13.93202 1.000 24.48507 ?  140 GLU B C   1 
ATOM   831  O O   . GLU B 1 44 ? -4.98761  -27.20156 14.53249 1.000 23.90629 ?  140 GLU B O   1 
ATOM   832  C CB  . GLU B 1 44 ? -4.32832  -24.22953 15.46256 1.000 17.93129 ?  140 GLU B CB  1 
ATOM   833  C CG  . GLU B 1 44 ? -4.79408  -22.92331 16.07381 1.000 20.02707 ?  140 GLU B CG  1 
ATOM   834  C CD  . GLU B 1 44 ? -4.65730  -21.75996 15.11132 1.000 21.81001 ?  140 GLU B CD  1 
ATOM   835  O OE1 . GLU B 1 44 ? -4.06020  -21.94418 14.02804 1.000 23.51033 ?  140 GLU B OE1 1 
ATOM   836  O OE2 . GLU B 1 44 ? -5.14071  -20.65727 15.43938 1.000 20.04139 -1 140 GLU B OE2 1 
ATOM   837  N N   . PRO B 1 45 ? -3.94941  -26.14117 12.84973 1.000 25.67045 ?  141 PRO B N   1 
ATOM   838  C CA  . PRO B 1 45 ? -3.18115  -27.32641 12.46880 1.000 26.46960 ?  141 PRO B CA  1 
ATOM   839  C C   . PRO B 1 45 ? -1.94019  -27.47406 13.33658 1.000 28.25538 ?  141 PRO B C   1 
ATOM   840  O O   . PRO B 1 45 ? -1.45596  -26.51834 13.94497 1.000 30.47007 ?  141 PRO B O   1 
ATOM   841  C CB  . PRO B 1 45 ? -2.80422  -27.04276 11.01288 1.000 30.03899 ?  141 PRO B CB  1 
ATOM   842  C CG  . PRO B 1 45 ? -2.67928  -25.55200 10.97398 1.000 29.25999 ?  141 PRO B CG  1 
ATOM   843  C CD  . PRO B 1 45 ? -3.76592  -25.03478 11.89073 1.000 24.63800 ?  141 PRO B CD  1 
ATOM   844  N N   . LEU B 1 46 ? -1.42155  -28.70494 13.36979 1.000 23.43759 ?  142 LEU B N   1 
ATOM   845  C CA  . LEU B 1 46 ? -0.30420  -29.01971 14.25679 1.000 27.41770 ?  142 LEU B CA  1 
ATOM   846  C C   . LEU B 1 46 ? 0.89947   -28.12234 13.99149 1.000 24.63444 ?  142 LEU B C   1 
ATOM   847  O O   . LEU B 1 46 ? 1.61787   -27.74773 14.92526 1.000 27.04637 ?  142 LEU B O   1 
ATOM   848  C CB  . LEU B 1 46 ? 0.09264   -30.48942 14.10874 1.000 20.09594 ?  142 LEU B CB  1 
ATOM   849  C CG  . LEU B 1 46 ? 1.20047   -30.94272 15.06283 1.000 27.10456 ?  142 LEU B CG  1 
ATOM   850  C CD1 . LEU B 1 46 ? 0.73209   -30.80923 16.50305 1.000 30.00246 ?  142 LEU B CD1 1 
ATOM   851  C CD2 . LEU B 1 46 ? 1.66511   -32.36098 14.76942 1.000 36.13626 ?  142 LEU B CD2 1 
ATOM   852  N N   . GLU B 1 47 ? 1.13019   -27.75448 12.72836 1.000 30.50926 ?  143 GLU B N   1 
ATOM   853  C CA  . GLU B 1 47 ? 2.33050   -26.99287 12.39199 1.000 29.34228 ?  143 GLU B CA  1 
ATOM   854  C C   . GLU B 1 47 ? 2.32749   -25.60006 13.01591 1.000 27.38147 ?  143 GLU B C   1 
ATOM   855  O O   . GLU B 1 47 ? 3.39818   -25.04060 13.27741 1.000 27.86331 ?  143 GLU B O   1 
ATOM   856  C CB  . GLU B 1 47 ? 2.48901   -26.91329 10.87293 1.000 35.14685 ?  143 GLU B CB  1 
ATOM   857  C CG  . GLU B 1 47 ? 1.28766   -26.35287 10.14570 1.000 35.52865 ?  143 GLU B CG  1 
ATOM   858  C CD  . GLU B 1 47 ? 0.44373   -27.45008 9.53677  1.000 45.76545 ?  143 GLU B CD  1 
ATOM   859  O OE1 . GLU B 1 47 ? -0.12770  -27.23356 8.44837  1.000 51.42829 ?  143 GLU B OE1 1 
ATOM   860  O OE2 . GLU B 1 47 ? 0.36074   -28.53660 10.14941 1.000 43.46282 -1 143 GLU B OE2 1 
ATOM   861  N N   . ASN B 1 48 ? 1.14930   -25.02614 13.27439 1.000 32.60875 ?  144 ASN B N   1 
ATOM   862  C CA  . ASN B 1 48 ? 1.10802   -23.74673 13.97752 1.000 28.85041 ?  144 ASN B CA  1 
ATOM   863  C C   . ASN B 1 48 ? 1.45778   -23.90366 15.45118 1.000 32.46609 ?  144 ASN B C   1 
ATOM   864  O O   . ASN B 1 48 ? 1.99275   -22.97162 16.06167 1.000 30.58029 ?  144 ASN B O   1 
ATOM   865  C CB  . ASN B 1 48 ? -0.27067  -23.09720 13.83528 1.000 24.14212 ?  144 ASN B CB  1 
ATOM   866  C CG  . ASN B 1 48 ? -0.49218  -22.48619 12.46482 1.000 31.65427 ?  144 ASN B CG  1 
ATOM   867  O OD1 . ASN B 1 48 ? 0.42238   -22.42905 11.64523 1.000 31.75870 ?  144 ASN B OD1 1 
ATOM   868  N ND2 . ASN B 1 48 ? -1.71296  -22.02151 12.21103 1.000 27.05020 ?  144 ASN B ND2 1 
ATOM   869  N N   . LEU B 1 49 ? 1.17102   -25.06508 16.03671 1.000 27.36650 ?  145 LEU B N   1 
ATOM   870  C CA  . LEU B 1 49 ? 1.35983   -25.25610 17.46933 1.000 23.15247 ?  145 LEU B CA  1 
ATOM   871  C C   . LEU B 1 49 ? 2.73377   -25.80146 17.82829 1.000 30.21685 ?  145 LEU B C   1 
ATOM   872  O O   . LEU B 1 49 ? 3.20910   -25.56805 18.94573 1.000 31.09894 ?  145 LEU B O   1 
ATOM   873  C CB  . LEU B 1 49 ? 0.29952   -26.20882 18.02936 1.000 28.60869 ?  145 LEU B CB  1 
ATOM   874  C CG  . LEU B 1 49 ? -1.19022  -25.84346 17.97684 1.000 32.19321 ?  145 LEU B CG  1 
ATOM   875  C CD1 . LEU B 1 49 ? -1.44552  -24.35134 18.16141 1.000 26.22979 ?  145 LEU B CD1 1 
ATOM   876  C CD2 . LEU B 1 49 ? -1.82474  -26.35787 16.70162 1.000 37.01118 ?  145 LEU B CD2 1 
ATOM   877  N N   . GLN B 1 50 ? 3.38478   -26.52394 16.92011 1.000 25.68885 ?  146 GLN B N   1 
ATOM   878  C CA  . GLN B 1 50 ? 4.61669   -27.23115 17.25078 1.000 35.43815 ?  146 GLN B CA  1 
ATOM   879  C C   . GLN B 1 50 ? 5.60855   -27.08621 16.10810 1.000 40.44707 ?  146 GLN B C   1 
ATOM   880  O O   . GLN B 1 50 ? 5.34619   -27.54517 14.99211 1.000 43.15170 ?  146 GLN B O   1 
ATOM   881  C CB  . GLN B 1 50 ? 4.32761   -28.70754 17.53650 1.000 32.18942 ?  146 GLN B CB  1 
ATOM   882  C CG  . GLN B 1 50 ? 5.06077   -29.26446 18.74267 1.000 38.87966 ?  146 GLN B CG  1 
ATOM   883  C CD  . GLN B 1 50 ? 5.08280   -30.77951 18.75862 1.000 43.49142 ?  146 GLN B CD  1 
ATOM   884  O OE1 . GLN B 1 50 ? 4.87493   -31.42631 17.73186 1.000 38.29183 ?  146 GLN B OE1 1 
ATOM   885  N NE2 . GLN B 1 50 ? 5.33171   -31.35481 19.92898 1.000 42.80410 ?  146 GLN B NE2 1 
ATOM   886  N N   . SER B 1 51 ? 6.74630   -26.45891 16.39120 1.000 32.30041 ?  147 SER B N   1 
ATOM   887  C CA  . SER B 1 51 ? 7.79232   -26.28872 15.39877 1.000 44.37611 ?  147 SER B CA  1 
ATOM   888  C C   . SER B 1 51 ? 8.71917   -27.50190 15.38445 1.000 41.07464 ?  147 SER B C   1 
ATOM   889  O O   . SER B 1 51 ? 8.64060   -28.39445 16.23490 1.000 40.09484 ?  147 SER B O   1 
ATOM   890  C CB  . SER B 1 51 ? 8.58840   -25.01456 15.67578 1.000 38.62506 ?  147 SER B CB  1 
ATOM   891  O OG  . SER B 1 51 ? 9.23048   -25.07771 16.93747 1.000 41.31565 ?  147 SER B OG  1 
ATOM   892  N N   . ILE B 1 52 ? 9.60300   -27.53225 14.38458 1.000 41.20404 ?  148 ILE B N   1 
ATOM   893  C CA  . ILE B 1 52 ? 10.62697  -28.57244 14.33453 1.000 38.05227 ?  148 ILE B CA  1 
ATOM   894  C C   . ILE B 1 52 ? 11.47994  -28.52441 15.59388 1.000 40.84179 ?  148 ILE B C   1 
ATOM   895  O O   . ILE B 1 52 ? 11.74131  -29.55217 16.23186 1.000 37.98541 ?  148 ILE B O   1 
ATOM   896  C CB  . ILE B 1 52 ? 11.48425  -28.42388 13.06387 1.000 43.33657 ?  148 ILE B CB  1 
ATOM   897  C CG1 . ILE B 1 52 ? 10.74330  -28.98202 11.84643 1.000 45.97468 ?  148 ILE B CG1 1 
ATOM   898  C CG2 . ILE B 1 52 ? 12.82593  -29.12259 13.22992 1.000 45.10696 ?  148 ILE B CG2 1 
ATOM   899  C CD1 . ILE B 1 52 ? 11.29260  -28.49178 10.52683 1.000 44.01984 ?  148 ILE B CD1 1 
ATOM   900  N N   . ALA B 1 53 ? 11.91734  -27.32081 15.97747 1.000 36.47595 ?  149 ALA B N   1 
ATOM   901  C CA  . ALA B 1 53 ? 12.68596  -27.16177 17.20729 1.000 32.43866 ?  149 ALA B CA  1 
ATOM   902  C C   . ALA B 1 53 ? 11.91872  -27.69154 18.41268 1.000 41.34047 ?  149 ALA B C   1 
ATOM   903  O O   . ALA B 1 53 ? 12.50158  -28.33083 19.29630 1.000 37.08815 ?  149 ALA B O   1 
ATOM   904  C CB  . ALA B 1 53 ? 13.05355  -25.69217 17.40933 1.000 33.88041 ?  149 ALA B CB  1 
ATOM   905  N N   . ASP B 1 54 ? 10.60853  -27.43752 18.46361 1.000 33.47373 ?  150 ASP B N   1 
ATOM   906  C CA  . ASP B 1 54 ? 9.78595   -27.98045 19.54142 1.000 36.30694 ?  150 ASP B CA  1 
ATOM   907  C C   . ASP B 1 54 ? 9.87603   -29.49898 19.58600 1.000 32.46958 ?  150 ASP B C   1 
ATOM   908  O O   . ASP B 1 54 ? 10.04637  -30.09285 20.65709 1.000 31.34193 ?  150 ASP B O   1 
ATOM   909  C CB  . ASP B 1 54 ? 8.33132   -27.53940 19.36785 1.000 35.04285 ?  150 ASP B CB  1 
ATOM   910  C CG  . ASP B 1 54 ? 8.13212   -26.06226 19.63724 1.000 44.68998 ?  150 ASP B CG  1 
ATOM   911  O OD1 . ASP B 1 54 ? 8.93525   -25.48599 20.39882 1.000 39.82896 ?  150 ASP B OD1 1 
ATOM   912  O OD2 . ASP B 1 54 ? 7.17828   -25.47552 19.08361 1.000 38.61842 ?  150 ASP B OD2 1 
ATOM   913  N N   . VAL B 1 55 ? 9.76174   -30.14339 18.42248 1.000 32.99818 ?  151 VAL B N   1 
ATOM   914  C CA  . VAL B 1 55 ? 9.80923   -31.60223 18.35366 1.000 31.48804 ?  151 VAL B CA  1 
ATOM   915  C C   . VAL B 1 55 ? 11.13416  -32.11543 18.90104 1.000 34.71841 ?  151 VAL B C   1 
ATOM   916  O O   . VAL B 1 55 ? 11.17465  -33.04388 19.71822 1.000 36.44171 ?  151 VAL B O   1 
ATOM   917  C CB  . VAL B 1 55 ? 9.57865   -32.07356 16.90590 1.000 30.39592 ?  151 VAL B CB  1 
ATOM   918  C CG1 . VAL B 1 55 ? 10.00554  -33.52592 16.73458 1.000 32.22250 ?  151 VAL B CG1 1 
ATOM   919  C CG2 . VAL B 1 55 ? 8.12712   -31.88608 16.51428 1.000 28.04132 ?  151 VAL B CG2 1 
ATOM   920  N N   . ILE B 1 56 ? 12.23987  -31.50737 18.46225 1.000 27.86587 ?  152 ILE B N   1 
ATOM   921  C CA  . ILE B 1 56 ? 13.56433  -31.91595 18.92487 1.000 29.25855 ?  152 ILE B CA  1 
ATOM   922  C C   . ILE B 1 56 ? 13.68476  -31.71598 20.42989 1.000 33.55359 ?  152 ILE B C   1 
ATOM   923  O O   . ILE B 1 56 ? 14.14749  -32.60031 21.15986 1.000 34.11150 ?  152 ILE B O   1 
ATOM   924  C CB  . ILE B 1 56 ? 14.65344  -31.13725 18.16530 1.000 31.29085 ?  152 ILE B CB  1 
ATOM   925  C CG1 . ILE B 1 56 ? 14.72043  -31.59693 16.70677 1.000 30.56861 ?  152 ILE B CG1 1 
ATOM   926  C CG2 . ILE B 1 56 ? 16.00343  -31.30412 18.83668 1.000 30.92626 ?  152 ILE B CG2 1 
ATOM   927  C CD1 . ILE B 1 56 ? 15.69487  -30.80842 15.86177 1.000 29.83825 ?  152 ILE B CD1 1 
ATOM   928  N N   . ASP B 1 57 ? 13.26652  -30.54506 20.91622 1.000 35.07104 ?  153 ASP B N   1 
ATOM   929  C CA  . ASP B 1 57 ? 13.31275  -30.27153 22.34922 1.000 35.98267 ?  153 ASP B CA  1 
ATOM   930  C C   . ASP B 1 57 ? 12.47390  -31.27480 23.13102 1.000 35.19804 ?  153 ASP B C   1 
ATOM   931  O O   . ASP B 1 57 ? 12.83991  -31.66667 24.24456 1.000 36.80725 ?  153 ASP B O   1 
ATOM   932  C CB  . ASP B 1 57 ? 12.83774  -28.84376 22.62441 1.000 32.91041 ?  153 ASP B CB  1 
ATOM   933  C CG  . ASP B 1 57 ? 13.77513  -27.79952 22.05363 1.000 42.37179 ?  153 ASP B CG  1 
ATOM   934  O OD1 . ASP B 1 57 ? 14.88370  -28.17068 21.61414 1.000 41.04287 ?  153 ASP B OD1 1 
ATOM   935  O OD2 . ASP B 1 57 ? 13.40468  -26.60693 22.04314 1.000 46.88041 ?  153 ASP B OD2 1 
ATOM   936  N N   . ALA B 1 58 ? 11.34177  -31.69908 22.56551 1.000 35.48488 ?  154 ALA B N   1 
ATOM   937  C CA  . ALA B 1 58 ? 10.52941  -32.72153 23.21715 1.000 40.17986 ?  154 ALA B CA  1 
ATOM   938  C C   . ALA B 1 58 ? 11.29032  -34.03547 23.33179 1.000 38.06962 ?  154 ALA B C   1 
ATOM   939  O O   . ALA B 1 58 ? 11.23205  -34.70799 24.36833 1.000 35.92113 ?  154 ALA B O   1 
ATOM   940  C CB  . ALA B 1 58 ? 9.21947   -32.92231 22.45315 1.000 33.28041 ?  154 ALA B CB  1 
ATOM   941  N N   . PHE B 1 59 ? 12.01995  -34.41231 22.28021 1.000 37.95303 ?  155 PHE B N   1 
ATOM   942  C CA  . PHE B 1 59 ? 12.80887  -35.63814 22.33380 1.000 35.46084 ?  155 PHE B CA  1 
ATOM   943  C C   . PHE B 1 59 ? 13.98639  -35.50075 23.28775 1.000 37.34370 ?  155 PHE B C   1 
ATOM   944  O O   . PHE B 1 59 ? 14.15297  -36.31454 24.20325 1.000 41.11388 ?  155 PHE B O   1 
ATOM   945  C CB  . PHE B 1 59 ? 13.31656  -36.01348 20.94553 1.000 35.57201 ?  155 PHE B CB  1 
ATOM   946  C CG  . PHE B 1 59 ? 14.30841  -37.14265 20.96308 1.000 36.66941 ?  155 PHE B CG  1 
ATOM   947  C CD1 . PHE B 1 59 ? 13.90386  -38.43931 21.24628 1.000 34.94436 ?  155 PHE B CD1 1 
ATOM   948  C CD2 . PHE B 1 59 ? 15.65596  -36.89684 20.75936 1.000 32.57855 ?  155 PHE B CD2 1 
ATOM   949  C CE1 . PHE B 1 59 ? 14.82313  -39.47486 21.27737 1.000 32.52787 ?  155 PHE B CE1 1 
ATOM   950  C CE2 . PHE B 1 59 ? 16.57623  -37.92519 20.79120 1.000 36.30186 ?  155 PHE B CE2 1 
ATOM   951  C CZ  . PHE B 1 59 ? 16.15994  -39.21543 21.05186 1.000 36.37157 ?  155 PHE B CZ  1 
ATOM   952  N N   . GLU B 1 60 ? 14.83181  -34.48983 23.07055 1.000 35.89626 ?  156 GLU B N   1 
ATOM   953  C CA  . GLU B 1 60 ? 16.03840  -34.33830 23.87652 1.000 31.63247 ?  156 GLU B CA  1 
ATOM   954  C C   . GLU B 1 60 ? 15.72917  -34.20709 25.36197 1.000 41.33730 ?  156 GLU B C   1 
ATOM   955  O O   . GLU B 1 60 ? 16.58071  -34.53622 26.19520 1.000 37.26370 ?  156 GLU B O   1 
ATOM   956  C CB  . GLU B 1 60 ? 16.84356  -33.13437 23.38629 1.000 35.53040 ?  156 GLU B CB  1 
ATOM   957  C CG  . GLU B 1 60 ? 17.43480  -33.33693 21.99848 1.000 35.10182 ?  156 GLU B CG  1 
ATOM   958  C CD  . GLU B 1 60 ? 18.26616  -32.16202 21.54624 1.000 38.39777 ?  156 GLU B CD  1 
ATOM   959  O OE1 . GLU B 1 60 ? 18.24148  -31.12398 22.24015 1.000 39.76086 ?  156 GLU B OE1 1 
ATOM   960  O OE2 . GLU B 1 60 ? 18.92599  -32.26715 20.49107 1.000 32.55491 ?  156 GLU B OE2 1 
ATOM   961  N N   . GLY B 1 61 ? 14.52763  -33.75716 25.71316 1.000 38.52713 ?  157 GLY B N   1 
ATOM   962  C CA  . GLY B 1 61 ? 14.11441  -33.70845 27.09941 1.000 36.78085 ?  157 GLY B CA  1 
ATOM   963  C C   . GLY B 1 61 ? 13.29401  -34.88271 27.57628 1.000 37.62504 ?  157 GLY B C   1 
ATOM   964  O O   . GLY B 1 61 ? 12.91219  -34.91651 28.74893 1.000 31.93516 ?  157 GLY B O   1 
ATOM   965  N N   . SER B 1 62 ? 13.01278  -35.84819 26.70470 1.000 33.94728 ?  158 SER B N   1 
ATOM   966  C CA  . SER B 1 62 ? 12.22884  -37.02081 27.08231 1.000 44.84392 ?  158 SER B CA  1 
ATOM   967  C C   . SER B 1 62 ? 12.98882  -37.88480 28.08243 1.000 47.94879 ?  158 SER B C   1 
ATOM   968  O O   . SER B 1 62 ? 12.39832  -38.44661 29.00414 1.000 50.73329 ?  158 SER B O   1 
ATOM   969  C CB  . SER B 1 62 ? 11.86024  -37.84853 25.84762 1.000 38.01300 ?  158 SER B CB  1 
ATOM   970  O OG  . SER B 1 62 ? 13.01946  -38.30324 25.17107 1.000 38.70042 ?  158 SER B OG  1 
ATOM   971  N N   . ALA C 2 1  ? -20.65388 -2.55081  19.56402 1.000 24.50348 ?  25  ALA C N   1 
ATOM   972  C CA  . ALA C 2 1  ? -19.61084 -1.93912  18.74837 1.000 25.77227 ?  25  ALA C CA  1 
ATOM   973  C C   . ALA C 2 1  ? -18.96887 -2.96388  17.81733 1.000 24.19545 ?  25  ALA C C   1 
ATOM   974  O O   . ALA C 2 1  ? -19.03187 -4.16725  18.07001 1.000 23.00990 ?  25  ALA C O   1 
ATOM   975  C CB  . ALA C 2 1  ? -18.55440 -1.29677  19.63566 1.000 23.97461 ?  25  ALA C CB  1 
ATOM   976  N N   . ARG C 2 2  ? -18.35683 -2.48079  16.73984 1.000 23.86642 ?  26  ARG C N   1 
ATOM   977  C CA  . ARG C 2 2  ? -17.60254 -3.34309  15.83746 1.000 23.25728 ?  26  ARG C CA  1 
ATOM   978  C C   . ARG C 2 2  ? -16.10718 -3.05824  15.92605 1.000 29.87072 ?  26  ARG C C   1 
ATOM   979  O O   . ARG C 2 2  ? -15.68433 -1.94279  16.24062 1.000 21.79465 ?  26  ARG C O   1 
ATOM   980  C CB  . ARG C 2 2  ? -18.08521 -3.18146  14.39035 1.000 24.49989 ?  26  ARG C CB  1 
ATOM   981  C CG  . ARG C 2 2  ? -19.54744 -3.54503  14.16800 1.000 23.23619 ?  26  ARG C CG  1 
ATOM   982  C CD  . ARG C 2 2  ? -19.83161 -4.99966  14.54580 1.000 23.09139 ?  26  ARG C CD  1 
ATOM   983  N NE  . ARG C 2 2  ? -19.08281 -5.95378  13.73427 1.000 25.72389 ?  26  ARG C NE  1 
ATOM   984  C CZ  . ARG C 2 2  ? -19.36698 -6.25770  12.47435 1.000 30.25121 ?  26  ARG C CZ  1 
ATOM   985  N NH1 . ARG C 2 2  ? -20.37834 -5.69340  11.83728 1.000 30.67594 ?  26  ARG C NH1 1 
ATOM   986  N NH2 . ARG C 2 2  ? -18.61706 -7.15206  11.83725 1.000 29.85546 ?  26  ARG C NH2 1 
HETATM 987  N N   . M3L C 2 3  ? -15.31192 -4.08067  15.64140 1.000 21.46905 ?  27  M3L C N   1 
HETATM 988  C CA  . M3L C 2 3  ? -13.88109 -4.00043  15.77601 1.000 25.62985 ?  27  M3L C CA  1 
HETATM 989  C CB  . M3L C 2 3  ? -13.42765 -4.97683  16.88533 1.000 30.59470 ?  27  M3L C CB  1 
HETATM 990  C CG  . M3L C 2 3  ? -11.93679 -5.03088  17.12542 1.000 24.24269 ?  27  M3L C CG  1 
HETATM 991  C CD  . M3L C 2 3  ? -11.63604 -5.71314  18.44934 1.000 23.09893 ?  27  M3L C CD  1 
HETATM 992  C CE  . M3L C 2 3  ? -11.89025 -7.21196  18.32190 1.000 21.16802 ?  27  M3L C CE  1 
HETATM 993  N NZ  . M3L C 2 3  ? -11.43825 -8.06711  19.48272 1.000 19.36554 ?  27  M3L C NZ  1 
HETATM 994  C C   . M3L C 2 3  ? -13.14721 -4.30455  14.47105 1.000 30.30712 ?  27  M3L C C   1 
HETATM 995  O O   . M3L C 2 3  ? -13.57243 -5.10029  13.63340 1.000 31.41937 ?  27  M3L C O   1 
HETATM 996  C CM1 . M3L C 2 3  ? -9.97701  -7.89629  19.74123 1.000 23.26811 ?  27  M3L C CM1 1 
HETATM 997  C CM2 . M3L C 2 3  ? -11.74515 -9.50923  19.24248 1.000 16.18156 ?  27  M3L C CM2 1 
HETATM 998  C CM3 . M3L C 2 3  ? -12.19076 -7.61053  20.69191 1.000 21.96394 ?  27  M3L C CM3 1 
ATOM   999  N N   . SER C 2 4  ? -12.01918 -3.62780  14.27720 1.000 26.06844 ?  28  SER C N   1 
ATOM   1000 C CA  . SER C 2 4  ? -11.17890 -3.88372  13.11439 1.000 25.86070 ?  28  SER C CA  1 
ATOM   1001 C C   . SER C 2 4  ? -10.26146 -5.07183  13.37969 1.000 27.77632 ?  28  SER C C   1 
ATOM   1002 O O   . SER C 2 4  ? -9.58871  -5.13123  14.41184 1.000 27.07495 ?  28  SER C O   1 
ATOM   1003 C CB  . SER C 2 4  ? -10.34998 -2.64863  12.74986 1.000 29.45340 ?  28  SER C CB  1 
ATOM   1004 O OG  . SER C 2 4  ? -11.18137 -1.54412  12.42965 1.000 26.11067 ?  28  SER C OG  1 
ATOM   1005 N N   . ALA C 2 5  ? -10.25397 -6.02324  12.44981 1.000 22.66151 ?  29  ALA C N   1 
ATOM   1006 C CA  . ALA C 2 5  ? -9.33735  -7.14485  12.53937 1.000 31.37939 ?  29  ALA C CA  1 
ATOM   1007 C C   . ALA C 2 5  ? -7.89655  -6.65038  12.42115 1.000 31.69022 ?  29  ALA C C   1 
ATOM   1008 O O   . ALA C 2 5  ? -7.61910  -5.69453  11.69205 1.000 26.51889 ?  29  ALA C O   1 
ATOM   1009 C CB  . ALA C 2 5  ? -9.63476  -8.16494  11.44428 1.000 33.38052 ?  29  ALA C CB  1 
ATOM   1010 N N   . PRO C 2 6  ? -6.96472  -7.27260  13.13801 1.000 32.85012 ?  30  PRO C N   1 
ATOM   1011 C CA  . PRO C 2 6  ? -5.57600  -6.80806  13.09720 1.000 32.67783 ?  30  PRO C CA  1 
ATOM   1012 C C   . PRO C 2 6  ? -4.93763  -7.05367  11.74030 1.000 32.10333 ?  30  PRO C C   1 
ATOM   1013 O O   . PRO C 2 6  ? -5.37727  -7.88964  10.94832 1.000 31.92205 ?  30  PRO C O   1 
ATOM   1014 C CB  . PRO C 2 6  ? -4.88751  -7.63870  14.18728 1.000 36.68810 ?  30  PRO C CB  1 
ATOM   1015 C CG  . PRO C 2 6  ? -6.00247  -8.15079  15.04321 1.000 37.44747 ?  30  PRO C CG  1 
ATOM   1016 C CD  . PRO C 2 6  ? -7.13579  -8.37731  14.09411 1.000 31.21700 ?  30  PRO C CD  1 
ATOM   1017 N N   . THR C 2 7  ? -3.87720  -6.29450  11.48431 1.000 35.32796 ?  31  THR C N   1 
ATOM   1018 C CA  . THR C 2 7  ? -3.08421  -6.48383  10.27912 1.000 35.95309 ?  31  THR C CA  1 
ATOM   1019 C C   . THR C 2 7  ? -2.40226  -7.84773  10.31197 1.000 34.36944 ?  31  THR C C   1 
ATOM   1020 O O   . THR C 2 7  ? -1.95215  -8.30968  11.36454 1.000 36.46799 ?  31  THR C O   1 
ATOM   1021 C CB  . THR C 2 7  ? -2.04149  -5.36557  10.15593 1.000 35.78861 ?  31  THR C CB  1 
ATOM   1022 O OG1 . THR C 2 7  ? -2.66968  -4.16833  9.67904  1.000 46.18305 ?  31  THR C OG1 1 
ATOM   1023 C CG2 . THR C 2 7  ? -0.91283  -5.75558  9.20445  1.000 30.73041 ?  31  THR C CG2 1 
ATOM   1024 N N   . THR C 2 8  ? -2.34951  -8.50500  9.15637  1.000 31.91446 ?  32  THR C N   1 
ATOM   1025 C CA  . THR C 2 8  ? -1.61854  -9.76060  9.02602  1.000 36.68747 ?  32  THR C CA  1 
ATOM   1026 C C   . THR C 2 8  ? -0.62776  -9.69863  7.86602  1.000 42.00160 ?  32  THR C C   1 
ATOM   1027 O O   . THR C 2 8  ? -0.68480  -8.80375  7.02148  1.000 38.58882 ?  32  THR C O   1 
ATOM   1028 C CB  . THR C 2 8  ? -2.56914  -10.95553 8.81816  1.000 34.62466 ?  32  THR C CB  1 
ATOM   1029 O OG1 . THR C 2 8  ? -3.30359  -10.78327 7.59985  1.000 40.91955 ?  32  THR C OG1 1 
ATOM   1030 C CG2 . THR C 2 8  ? -3.54111  -11.07107 9.98163  1.000 32.95469 ?  32  THR C CG2 1 
ATOM   1031 O OXT . THR C 2 8  ? 0.25849   -10.54471 7.74885  1.000 41.56873 ?  32  THR C OXT 1 
ATOM   1032 N N   . ALA D 2 1  ? 3.90692   -20.48386 20.04409 1.000 26.12398 ?  25  ALA D N   1 
ATOM   1033 C CA  . ALA D 2 1  ? 2.92509   -20.97539 19.08315 1.000 28.47798 ?  25  ALA D CA  1 
ATOM   1034 C C   . ALA D 2 1  ? 2.39018   -19.83802 18.22163 1.000 31.40736 ?  25  ALA D C   1 
ATOM   1035 O O   . ALA D 2 1  ? 2.43193   -18.67379 18.62189 1.000 26.10241 ?  25  ALA D O   1 
ATOM   1036 C CB  . ALA D 2 1  ? 1.78308   -21.67527 19.80339 1.000 26.18953 ?  25  ALA D CB  1 
ATOM   1037 N N   . ARG D 2 2  ? 1.89502   -20.17722 17.03540 1.000 23.77200 ?  26  ARG D N   1 
ATOM   1038 C CA  . ARG D 2 2  ? 1.25977   -19.18868 16.17198 1.000 22.47658 ?  26  ARG D CA  1 
ATOM   1039 C C   . ARG D 2 2  ? -0.24097  -19.44478 16.07327 1.000 22.93523 ?  26  ARG D C   1 
ATOM   1040 O O   . ARG D 2 2  ? -0.70192  -20.58252 16.19020 1.000 20.47533 ?  26  ARG D O   1 
ATOM   1041 C CB  . ARG D 2 2  ? 1.89275   -19.18412 14.77599 1.000 28.70253 ?  26  ARG D CB  1 
ATOM   1042 C CG  . ARG D 2 2  ? 3.37080   -18.81402 14.75368 1.000 26.94560 ?  26  ARG D CG  1 
ATOM   1043 C CD  . ARG D 2 2  ? 3.60601   -17.41090 15.31178 1.000 27.44052 ?  26  ARG D CD  1 
ATOM   1044 N NE  . ARG D 2 2  ? 3.01238   -16.35421 14.49930 1.000 27.56905 ?  26  ARG D NE  1 
ATOM   1045 C CZ  . ARG D 2 2  ? 3.51185   -15.91587 13.35119 1.000 29.36770 ?  26  ARG D CZ  1 
ATOM   1046 N NH1 . ARG D 2 2  ? 4.60209   -16.44555 12.82318 1.000 26.73379 ?  26  ARG D NH1 1 
ATOM   1047 N NH2 . ARG D 2 2  ? 2.90128   -14.91999 12.71619 1.000 26.69676 ?  26  ARG D NH2 1 
HETATM 1048 N N   . M3L D 2 3  ? -0.99453  -18.37185 15.86178 1.000 22.50890 ?  27  M3L D N   1 
HETATM 1049 C CA  . M3L D 2 3  ? -2.43538  -18.43127 15.82944 1.000 20.09493 ?  27  M3L D CA  1 
HETATM 1050 C CB  . M3L D 2 3  ? -3.02360  -17.58284 16.97648 1.000 21.55117 ?  27  M3L D CB  1 
HETATM 1051 C CG  . M3L D 2 3  ? -4.53319  -17.47116 16.98343 1.000 14.93996 ?  27  M3L D CG  1 
HETATM 1052 C CD  . M3L D 2 3  ? -5.00329  -16.88269 18.30363 1.000 19.88696 ?  27  M3L D CD  1 
HETATM 1053 C CE  . M3L D 2 3  ? -4.72353  -15.38339 18.33405 1.000 17.46319 ?  27  M3L D CE  1 
HETATM 1054 N NZ  . M3L D 2 3  ? -5.10134  -14.64043 19.59700 1.000 18.36577 ?  27  M3L D NZ  1 
HETATM 1055 C C   . M3L D 2 3  ? -3.00644  -17.95849 14.49491 1.000 25.66810 ?  27  M3L D C   1 
HETATM 1056 O O   . M3L D 2 3  ? -2.52678  -17.02562 13.85084 1.000 21.55716 ?  27  M3L D O   1 
HETATM 1057 C CM1 . M3L D 2 3  ? -4.82892  -13.17841 19.47151 1.000 21.13657 ?  27  M3L D CM1 1 
HETATM 1058 C CM2 . M3L D 2 3  ? -4.37594  -15.18349 20.78319 1.000 21.27074 ?  27  M3L D CM2 1 
HETATM 1059 C CM3 . M3L D 2 3  ? -6.56919  -14.83098 19.82318 1.000 21.87394 ?  27  M3L D CM3 1 
ATOM   1060 N N   . SER D 2 4  ? -4.05843  -18.64105 14.05302 1.000 20.95817 ?  28  SER D N   1 
ATOM   1061 C CA  . SER D 2 4  ? -4.72163  -18.27727 12.80666 1.000 23.97032 ?  28  SER D CA  1 
ATOM   1062 C C   . SER D 2 4  ? -5.51346  -16.98850 12.97772 1.000 22.95957 ?  28  SER D C   1 
ATOM   1063 O O   . SER D 2 4  ? -6.18723  -16.79227 13.98961 1.000 23.52707 ?  28  SER D O   1 
ATOM   1064 C CB  . SER D 2 4  ? -5.64577  -19.39926 12.33171 1.000 23.71745 ?  28  SER D CB  1 
ATOM   1065 O OG  . SER D 2 4  ? -4.92064  -20.59260 12.09352 1.000 25.20459 ?  28  SER D OG  1 
ATOM   1066 N N   . ALA D 2 5  ? -5.41932  -16.10716 11.98777 1.000 25.26141 ?  29  ALA D N   1 
ATOM   1067 C CA  . ALA D 2 5  ? -6.21485  -14.89477 12.00903 1.000 24.87388 ?  29  ALA D CA  1 
ATOM   1068 C C   . ALA D 2 5  ? -7.69114  -15.23782 11.82886 1.000 27.68238 ?  29  ALA D C   1 
ATOM   1069 O O   . ALA D 2 5  ? -8.03179  -16.18837 11.12342 1.000 24.62335 ?  29  ALA D O   1 
ATOM   1070 C CB  . ALA D 2 5  ? -5.76725  -13.93533 10.91118 1.000 23.88794 ?  29  ALA D CB  1 
ATOM   1071 N N   . PRO D 2 6  ? -8.58494  -14.48140 12.45812 1.000 34.41711 ?  30  PRO D N   1 
ATOM   1072 C CA  . PRO D 2 6  ? -10.01684 -14.74920 12.29249 1.000 40.93248 ?  30  PRO D CA  1 
ATOM   1073 C C   . PRO D 2 6  ? -10.48355 -14.43777 10.87962 1.000 34.64925 ?  30  PRO D C   1 
ATOM   1074 O O   . PRO D 2 6  ? -9.93587  -13.57162 10.19290 1.000 34.66882 ?  30  PRO D O   1 
ATOM   1075 C CB  . PRO D 2 6  ? -10.67122 -13.81203 13.31250 1.000 42.81317 ?  30  PRO D CB  1 
ATOM   1076 C CG  . PRO D 2 6  ? -9.68427  -12.69063 13.47232 1.000 34.77695 ?  30  PRO D CG  1 
ATOM   1077 C CD  . PRO D 2 6  ? -8.32641  -13.31188 13.31755 1.000 36.83206 ?  30  PRO D CD  1 
ATOM   1078 N N   . THR D 2 7  ? -11.51148 -15.16238 10.44723 1.000 39.24374 ?  31  THR D N   1 
ATOM   1079 C CA  . THR D 2 7  ? -12.08986 -14.91716 9.13457  1.000 39.38700 ?  31  THR D CA  1 
ATOM   1080 C C   . THR D 2 7  ? -12.91029 -13.63252 9.14833  1.000 38.32792 ?  31  THR D C   1 
ATOM   1081 O O   . THR D 2 7  ? -13.55804 -13.29752 10.14457 1.000 34.16324 ?  31  THR D O   1 
ATOM   1082 C CB  . THR D 2 7  ? -12.95878 -16.09848 8.70364  1.000 39.70338 ?  31  THR D CB  1 
ATOM   1083 O OG1 . THR D 2 7  ? -13.93948 -16.37180 9.71191  1.000 41.68892 ?  31  THR D OG1 1 
ATOM   1084 C CG2 . THR D 2 7  ? -12.09886 -17.33226 8.49803  1.000 40.70449 ?  31  THR D CG2 1 
ATOM   1085 N N   . THR D 2 8  ? -12.86923 -12.90553 8.03662  1.000 40.79772 ?  32  THR D N   1 
ATOM   1086 C CA  . THR D 2 8  ? -13.59057 -11.64534 7.92014  1.000 37.06964 ?  32  THR D CA  1 
ATOM   1087 C C   . THR D 2 8  ? -14.40743 -11.61812 6.63440  1.000 45.42272 ?  32  THR D C   1 
ATOM   1088 O O   . THR D 2 8  ? -15.37234 -10.86329 6.51305  1.000 38.47849 ?  32  THR D O   1 
ATOM   1089 C CB  . THR D 2 8  ? -12.63229 -10.43824 7.94622  1.000 33.96684 ?  32  THR D CB  1 
ATOM   1090 O OG1 . THR D 2 8  ? -11.68281 -10.55464 6.87961  1.000 36.48097 ?  32  THR D OG1 1 
ATOM   1091 C CG2 . THR D 2 8  ? -11.88996 -10.36978 9.27396  1.000 29.98448 ?  32  THR D CG2 1 
ATOM   1092 O OXT . THR D 2 8  ? -14.12272 -12.35583 5.69048  1.000 43.19117 ?  32  THR D OXT 1 
HETATM 1093 O O   . HOH E 3 .  ? -21.92354 8.54672   15.77014 1.000 40.82241 ?  201 HOH A O   1 
HETATM 1094 O O   . HOH E 3 .  ? -35.346   15.338    26.665   1.000 51.43273 ?  202 HOH A O   1 
HETATM 1095 O O   . HOH E 3 .  ? -16.29789 -15.09507 7.21793  1.000 42.96453 ?  203 HOH A O   1 
HETATM 1096 O O   . HOH E 3 .  ? -32.91601 6.65164   24.82787 1.000 53.96540 ?  204 HOH A O   1 
HETATM 1097 O O   . HOH E 3 .  ? -17.90908 -2.98369  29.34983 1.000 40.83690 ?  205 HOH A O   1 
HETATM 1098 O O   . HOH E 3 .  ? -14.70756 12.22275  16.56223 1.000 38.02806 ?  206 HOH A O   1 
HETATM 1099 O O   . HOH E 3 .  ? -14.10788 6.66968   8.61316  1.000 48.50433 ?  207 HOH A O   1 
HETATM 1100 O O   . HOH E 3 .  ? -9.48854  0.80694   12.28366 1.000 34.58227 ?  208 HOH A O   1 
HETATM 1101 O O   . HOH E 3 .  ? -9.69428  -0.00000  31.78700 0.50  25.49549 ?  209 HOH A O   1 
HETATM 1102 O O   . HOH E 3 .  ? -12.33177 -6.30395  30.56678 1.000 28.39256 ?  210 HOH A O   1 
HETATM 1103 O O   . HOH E 3 .  ? -3.25363  12.92686  10.59132 1.000 35.53149 ?  211 HOH A O   1 
HETATM 1104 O O   . HOH E 3 .  ? -16.09889 0.41314   9.19762  1.000 47.66791 ?  212 HOH A O   1 
HETATM 1105 O O   . HOH E 3 .  ? -6.347    -3.658    31.686   1.000 25.19156 ?  213 HOH A O   1 
HETATM 1106 O O   . HOH E 3 .  ? -15.23473 -14.98191 12.84695 1.000 35.96862 ?  214 HOH A O   1 
HETATM 1107 O O   . HOH E 3 .  ? -13.06186 -0.90308  10.49726 1.000 36.99525 ?  215 HOH A O   1 
HETATM 1108 O O   . HOH E 3 .  ? -9.99137  -9.47933  15.75327 1.000 26.09754 ?  216 HOH A O   1 
HETATM 1109 O O   . HOH E 3 .  ? -3.01445  -3.74328  19.81289 1.000 39.93187 ?  217 HOH A O   1 
HETATM 1110 O O   . HOH E 3 .  ? -19.53462 0.31990   26.85411 1.000 37.58643 ?  218 HOH A O   1 
HETATM 1111 O O   . HOH E 3 .  ? -36.227   13.586    27.842   1.000 57.57234 ?  219 HOH A O   1 
HETATM 1112 O O   . HOH E 3 .  ? -2.28806  -0.48916  27.41782 1.000 31.01107 ?  220 HOH A O   1 
HETATM 1113 O O   . HOH E 3 .  ? -9.008    -3.721    32.545   1.000 29.23599 ?  221 HOH A O   1 
HETATM 1114 O O   . HOH E 3 .  ? -12.18835 -12.54987 17.34459 1.000 25.42728 ?  222 HOH A O   1 
HETATM 1115 O O   . HOH E 3 .  ? -7.99675  -1.59450  8.98863  1.000 56.49415 ?  223 HOH A O   1 
HETATM 1116 O O   . HOH E 3 .  ? -14.73770 8.21442   10.53467 1.000 34.52871 ?  224 HOH A O   1 
HETATM 1117 O O   . HOH E 3 .  ? -4.30544  -6.94519  29.57669 1.000 24.70926 ?  225 HOH A O   1 
HETATM 1118 O O   . HOH E 3 .  ? -26.57681 11.31313  20.59177 1.000 39.17137 ?  226 HOH A O   1 
HETATM 1119 O O   . HOH E 3 .  ? -9.17471  -6.94981  30.24828 1.000 31.54180 ?  227 HOH A O   1 
HETATM 1120 O O   . HOH E 3 .  ? -5.06182  13.01534  8.08761  1.000 39.37380 ?  228 HOH A O   1 
HETATM 1121 O O   . HOH E 3 .  ? -14.46392 8.93938   12.94413 1.000 30.87369 ?  229 HOH A O   1 
HETATM 1122 O O   . HOH E 3 .  ? -16.38341 -7.15558  24.22436 1.000 22.19207 ?  230 HOH A O   1 
HETATM 1123 O O   . HOH E 3 .  ? -14.21507 -12.01029 27.73837 1.000 31.19844 ?  231 HOH A O   1 
HETATM 1124 O O   . HOH E 3 .  ? -5.65589  11.54626  22.42859 1.000 30.44442 ?  232 HOH A O   1 
HETATM 1125 O O   . HOH E 3 .  ? -8.82164  -4.65815  24.21003 1.000 20.67687 ?  233 HOH A O   1 
HETATM 1126 O O   . HOH E 3 .  ? -15.25708 2.77841   7.97246  1.000 54.15165 ?  234 HOH A O   1 
HETATM 1127 O O   . HOH E 3 .  ? -7.64219  3.37539   9.12268  1.000 45.28971 ?  235 HOH A O   1 
HETATM 1128 O O   . HOH E 3 .  ? -1.59883  -2.64659  23.52834 1.000 34.45416 ?  236 HOH A O   1 
HETATM 1129 O O   . HOH E 3 .  ? -3.03031  11.55485  20.70650 1.000 27.78182 ?  237 HOH A O   1 
HETATM 1130 O O   . HOH E 3 .  ? -15.169   -13.138   15.162   1.000 30.29321 ?  238 HOH A O   1 
HETATM 1131 O O   . HOH E 3 .  ? -7.03002  -6.69455  18.34704 1.000 24.52857 ?  239 HOH A O   1 
HETATM 1132 O O   . HOH E 3 .  ? -27.46509 -0.54861  17.38052 1.000 50.51347 ?  240 HOH A O   1 
HETATM 1133 O O   . HOH E 3 .  ? -19.90373 -0.72624  23.81914 1.000 25.03101 ?  241 HOH A O   1 
HETATM 1134 O O   . HOH E 3 .  ? -16.46308 4.98928   6.56043  1.000 59.32052 ?  242 HOH A O   1 
HETATM 1135 O O   . HOH E 3 .  ? -3.08643  0.39832   23.58768 1.000 35.53918 ?  243 HOH A O   1 
HETATM 1136 O O   . HOH E 3 .  ? -23.09926 6.44819   22.31752 1.000 43.63453 ?  244 HOH A O   1 
HETATM 1137 O O   . HOH E 3 .  ? -5.72041  -0.85849  15.39490 1.000 33.20923 ?  245 HOH A O   1 
HETATM 1138 O O   . HOH E 3 .  ? -36.17930 6.01236   18.85074 1.000 42.96948 ?  246 HOH A O   1 
HETATM 1139 O O   . HOH E 3 .  ? -33.15354 4.99623   17.63426 1.000 44.84439 ?  247 HOH A O   1 
HETATM 1140 O O   . HOH E 3 .  ? -13.239   5.574     28.904   1.000 34.83259 ?  248 HOH A O   1 
HETATM 1141 O O   . HOH E 3 .  ? -1.20517  6.19343   16.68198 1.000 27.14329 ?  249 HOH A O   1 
HETATM 1142 O O   . HOH E 3 .  ? -1.94590  -10.77288 26.28739 1.000 40.03635 ?  250 HOH A O   1 
HETATM 1143 O O   . HOH E 3 .  ? -18.47634 -9.28720  23.38759 1.000 36.72072 ?  251 HOH A O   1 
HETATM 1144 O O   . HOH E 3 .  ? -16.34889 -10.91407 23.33684 1.000 26.08295 ?  252 HOH A O   1 
HETATM 1145 O O   . HOH E 3 .  ? -28.67446 2.36670   13.12339 1.000 38.01177 ?  253 HOH A O   1 
HETATM 1146 O O   . HOH E 3 .  ? -8.99443  -9.55704  29.27276 1.000 39.67385 ?  254 HOH A O   1 
HETATM 1147 O O   . HOH E 3 .  ? -3.18880  2.74126   28.30670 1.000 42.01632 ?  255 HOH A O   1 
HETATM 1148 O O   . HOH E 3 .  ? -21.84069 -0.06510  16.52808 1.000 38.26751 ?  256 HOH A O   1 
HETATM 1149 O O   . HOH E 3 .  ? -15.14909 -0.48266  7.79675  1.000 61.64839 ?  257 HOH A O   1 
HETATM 1150 O O   . HOH E 3 .  ? -4.76013  -5.43498  17.54864 1.000 34.16307 ?  258 HOH A O   1 
HETATM 1151 O O   . HOH E 3 .  ? -10.08245 6.00525   30.08489 1.000 27.67983 ?  259 HOH A O   1 
HETATM 1152 O O   . HOH E 3 .  ? -2.03486  9.64421   19.66013 1.000 41.32531 ?  260 HOH A O   1 
HETATM 1153 O O   . HOH E 3 .  ? -11.39018 -12.30682 30.26041 1.000 44.38569 ?  261 HOH A O   1 
HETATM 1154 O O   . HOH E 3 .  ? -21.29109 -1.56777  27.67568 1.000 49.29646 ?  262 HOH A O   1 
HETATM 1155 O O   . HOH E 3 .  ? -17.71181 -9.11559  27.63463 1.000 38.54310 ?  263 HOH A O   1 
HETATM 1156 O O   . HOH E 3 .  ? -36.653   13.268    29.695   1.000 54.93795 ?  264 HOH A O   1 
HETATM 1157 O O   . HOH E 3 .  ? -1.92415  1.16073   25.61587 1.000 47.65011 ?  265 HOH A O   1 
HETATM 1158 O O   . HOH E 3 .  ? -4.32980  4.24531   30.29696 1.000 30.22458 ?  266 HOH A O   1 
HETATM 1159 O O   . HOH E 3 .  ? -19.85408 -8.70512  30.46786 1.000 28.13490 ?  267 HOH A O   1 
HETATM 1160 O O   . HOH E 3 .  ? -6.82253  -6.70172  31.33554 1.000 37.37906 ?  268 HOH A O   1 
HETATM 1161 O O   . HOH E 3 .  ? -15.40540 11.29305  14.24980 1.000 24.87115 ?  269 HOH A O   1 
HETATM 1162 O O   . HOH E 3 .  ? 0.195     -4.688    27.664   1.000 59.81281 ?  270 HOH A O   1 
HETATM 1163 O O   . HOH E 3 .  ? -0.395    -2.717    28.785   1.000 59.70293 ?  271 HOH A O   1 
HETATM 1164 O O   . HOH E 3 .  ? -6.69320  -9.33629  18.94486 1.000 20.19252 ?  272 HOH A O   1 
HETATM 1165 O O   . HOH E 3 .  ? -2.715    -5.551    31.287   1.000 39.40403 ?  273 HOH A O   1 
HETATM 1166 O O   . HOH E 3 .  ? -0.827    -3.452    30.725   1.000 38.35034 ?  274 HOH A O   1 
HETATM 1167 O O   . HOH E 3 .  ? -17.55644 11.60810  12.88253 1.000 42.90788 ?  275 HOH A O   1 
HETATM 1168 O O   . HOH F 3 .  ? 5.10564   -31.79095 15.40756 1.000 43.24846 ?  201 HOH B O   1 
HETATM 1169 O O   . HOH F 3 .  ? -6.86786  -39.33952 18.00462 1.000 44.17841 ?  202 HOH B O   1 
HETATM 1170 O O   . HOH F 3 .  ? 0.05811   -15.85197 15.66482 1.000 21.53813 ?  203 HOH B O   1 
HETATM 1171 O O   . HOH F 3 .  ? -6.10645  -26.29247 9.66156  1.000 42.69295 ?  204 HOH B O   1 
HETATM 1172 O O   . HOH F 3 .  ? -8.57587  -18.53586 23.46447 1.000 23.37134 ?  205 HOH B O   1 
HETATM 1173 O O   . HOH F 3 .  ? -15.57182 -31.55679 15.78159 1.000 38.71495 ?  206 HOH B O   1 
HETATM 1174 O O   . HOH F 3 .  ? -13.20597 -17.49852 18.47635 1.000 25.77949 ?  207 HOH B O   1 
HETATM 1175 O O   . HOH F 3 .  ? 19.16851  -34.53403 25.77328 1.000 40.93439 ?  208 HOH B O   1 
HETATM 1176 O O   . HOH F 3 .  ? 6.07833   -23.13305 18.61252 1.000 42.80016 ?  209 HOH B O   1 
HETATM 1177 O O   . HOH F 3 .  ? -5.24492  -17.64193 30.35258 1.000 38.02822 ?  210 HOH B O   1 
HETATM 1178 O O   . HOH F 3 .  ? 2.91172   -9.70830  8.47134  1.000 43.59669 ?  211 HOH B O   1 
HETATM 1179 O O   . HOH F 3 .  ? 16.18296  -36.60637 27.80608 1.000 40.96929 ?  212 HOH B O   1 
HETATM 1180 O O   . HOH F 3 .  ? -6.12080  -12.62432 15.72048 1.000 29.57907 ?  213 HOH B O   1 
HETATM 1181 O O   . HOH F 3 .  ? -13.97948 -23.61177 23.01359 1.000 31.75532 ?  214 HOH B O   1 
HETATM 1182 O O   . HOH F 3 .  ? 0.43529   -22.06176 28.82903 1.000 43.21976 ?  215 HOH B O   1 
HETATM 1183 O O   . HOH F 3 .  ? -0.69696  -7.28023  13.82882 1.000 40.34957 ?  216 HOH B O   1 
HETATM 1184 O O   . HOH F 3 .  ? -3.98869  -10.01173 18.12027 1.000 23.84931 ?  217 HOH B O   1 
HETATM 1185 O O   . HOH F 3 .  ? -0.74473  -16.40977 24.79307 1.000 30.49750 ?  218 HOH B O   1 
HETATM 1186 O O   . HOH F 3 .  ? -8.57022  -17.32088 30.43233 1.000 44.45401 ?  219 HOH B O   1 
HETATM 1187 O O   . HOH F 3 .  ? -1.73821  -30.35635 9.70156  1.000 37.98466 ?  220 HOH B O   1 
HETATM 1188 O O   . HOH F 3 .  ? -15.44077 -12.44191 25.62260 1.000 38.40236 ?  221 HOH B O   1 
HETATM 1189 O O   . HOH F 3 .  ? -13.47470 -29.52595 26.07414 1.000 28.95430 ?  222 HOH B O   1 
HETATM 1190 O O   . HOH F 3 .  ? -9.62918  -28.54918 27.80928 1.000 38.20166 ?  223 HOH B O   1 
HETATM 1191 O O   . HOH F 3 .  ? -15.198   -19.515   21.431   1.000 28.61539 ?  224 HOH B O   1 
HETATM 1192 O O   . HOH F 3 .  ? -13.04162 -32.48187 23.37676 1.000 33.56114 ?  225 HOH B O   1 
HETATM 1193 O O   . HOH F 3 .  ? -3.41783  -33.99785 9.41261  1.000 42.45367 ?  226 HOH B O   1 
HETATM 1194 O O   . HOH F 3 .  ? -15.25988 -32.83195 21.34642 1.000 29.42747 ?  227 HOH B O   1 
HETATM 1195 O O   . HOH F 3 .  ? 2.29874   -23.27916 23.78775 1.000 31.31012 ?  228 HOH B O   1 
HETATM 1196 O O   . HOH F 3 .  ? -2.14188  -34.76155 14.83083 1.000 51.88909 ?  229 HOH B O   1 
HETATM 1197 O O   . HOH F 3 .  ? -2.33610  -30.92710 11.78070 1.000 28.85435 ?  230 HOH B O   1 
HETATM 1198 O O   . HOH F 3 .  ? -11.46355 -35.84438 6.79265  1.000 46.97616 ?  231 HOH B O   1 
HETATM 1199 O O   . HOH F 3 .  ? -17.01898 -26.77315 19.13755 1.000 27.55074 ?  232 HOH B O   1 
HETATM 1200 O O   . HOH F 3 .  ? -12.79757 -16.46146 28.95894 1.000 35.90436 ?  233 HOH B O   1 
HETATM 1201 O O   . HOH F 3 .  ? -11.13676 -21.28396 14.31177 1.000 29.33362 ?  234 HOH B O   1 
HETATM 1202 O O   . HOH F 3 .  ? -14.09788 -33.76235 19.12598 1.000 34.35189 ?  235 HOH B O   1 
HETATM 1203 O O   . HOH F 3 .  ? -9.30072  -15.62753 17.72048 1.000 23.34000 ?  236 HOH B O   1 
HETATM 1204 O O   . HOH F 3 .  ? -3.15247  -21.23640 9.73738  1.000 37.57272 ?  237 HOH B O   1 
HETATM 1205 O O   . HOH F 3 .  ? 16.42572  -29.43224 23.86958 1.000 50.10167 ?  238 HOH B O   1 
HETATM 1206 O O   . HOH F 3 .  ? -0.552    -9.610    20.479   1.000 45.43570 ?  239 HOH B O   1 
HETATM 1207 O O   . HOH F 3 .  ? -9.10215  -20.87902 12.93168 1.000 35.30259 ?  240 HOH B O   1 
HETATM 1208 O O   . HOH F 3 .  ? 3.35919   -21.80374 11.87702 1.000 39.05885 ?  241 HOH B O   1 
HETATM 1209 O O   . HOH F 3 .  ? -18.13597 -26.18832 11.70327 1.000 42.83144 ?  242 HOH B O   1 
HETATM 1210 O O   . HOH F 3 .  ? 6.41220   -29.12223 12.64082 1.000 41.11894 ?  243 HOH B O   1 
HETATM 1211 O O   . HOH F 3 .  ? -11.83129 -34.05638 21.00066 1.000 30.85747 ?  244 HOH B O   1 
HETATM 1212 O O   . HOH F 3 .  ? -16.53506 -23.87088 9.66867  1.000 45.06346 ?  245 HOH B O   1 
HETATM 1213 O O   . HOH F 3 .  ? 8.23871   -29.21749 23.00636 1.000 47.76091 ?  246 HOH B O   1 
HETATM 1214 O O   . HOH F 3 .  ? -1.33537  -9.04525  15.71502 1.000 34.82668 ?  247 HOH B O   1 
HETATM 1215 O O   . HOH F 3 .  ? -0.53419  -12.62504 24.51359 1.000 30.36371 ?  248 HOH B O   1 
HETATM 1216 O O   . HOH F 3 .  ? 2.48591   -30.73528 10.68439 1.000 41.57488 ?  249 HOH B O   1 
HETATM 1217 O O   . HOH F 3 .  ? -4.99738  -29.99372 26.94058 1.000 48.54688 ?  250 HOH B O   1 
HETATM 1218 O O   . HOH F 3 .  ? 12.21803  -24.67979 14.23169 1.000 52.76105 ?  251 HOH B O   1 
HETATM 1219 O O   . HOH F 3 .  ? -4.59317  -11.36702 13.27612 1.000 37.01199 ?  252 HOH B O   1 
HETATM 1220 O O   . HOH F 3 .  ? -16.32527 -24.54572 17.15424 1.000 31.90742 ?  253 HOH B O   1 
HETATM 1221 O O   . HOH F 3 .  ? -2.89633  -28.97849 7.88744  1.000 48.55673 ?  254 HOH B O   1 
HETATM 1222 O O   . HOH F 3 .  ? -6.91096  -32.21039 25.92592 1.000 47.78717 ?  255 HOH B O   1 
HETATM 1223 O O   . HOH F 3 .  ? 1.08798   -15.41044 7.86916  1.000 42.39222 ?  256 HOH B O   1 
HETATM 1224 O O   . HOH F 3 .  ? -15.33389 -16.12235 27.16328 1.000 39.11134 ?  257 HOH B O   1 
HETATM 1225 O O   . HOH F 3 .  ? 1.258     -8.908    17.430   1.000 32.63624 ?  258 HOH B O   1 
HETATM 1226 O O   . HOH F 3 .  ? -9.10155  -14.28637 29.75050 1.000 42.83788 ?  259 HOH B O   1 
HETATM 1227 O O   . HOH F 3 .  ? -14.806   -22.104   21.247   1.000 31.62841 ?  260 HOH B O   1 
HETATM 1228 O O   . HOH F 3 .  ? -14.435   -22.758   8.109    1.000 45.58540 ?  261 HOH B O   1 
HETATM 1229 O O   . HOH F 3 .  ? -12.13611 -16.43765 16.40484 1.000 45.95012 ?  262 HOH B O   1 
HETATM 1230 O O   . HOH F 3 .  ? 20.42914  -34.28598 23.81752 1.000 42.80591 ?  263 HOH B O   1 
HETATM 1231 O O   . HOH F 3 .  ? -17.420   -18.049   25.763   1.000 38.46317 ?  264 HOH B O   1 
HETATM 1232 O O   . HOH F 3 .  ? 18.34905  -37.27671 28.97772 1.000 41.88171 ?  265 HOH B O   1 
HETATM 1233 O O   . HOH F 3 .  ? 14.26606  -24.61379 13.59802 1.000 48.41331 ?  266 HOH B O   1 
HETATM 1234 O O   . HOH F 3 .  ? -17.455   -19.003   23.308   1.000 27.30029 ?  267 HOH B O   1 
HETATM 1235 O O   . HOH F 3 .  ? -11.29823 -18.13352 14.33423 1.000 34.97475 ?  268 HOH B O   1 
HETATM 1236 O O   . HOH F 3 .  ? -14.50389 -32.08546 26.60550 1.000 41.65748 ?  269 HOH B O   1 
HETATM 1237 O O   . HOH F 3 .  ? -10.182   -38.536   7.630    1.000 39.52184 ?  270 HOH B O   1 
HETATM 1238 O O   . HOH F 3 .  ? -8.04100  -11.10947 17.08273 1.000 26.47447 ?  271 HOH B O   1 
HETATM 1239 O O   . HOH F 3 .  ? -1.44585  -33.36066 12.44946 1.000 30.89377 ?  272 HOH B O   1 
HETATM 1240 O O   . HOH F 3 .  ? -7.513    -41.500   17.962   1.000 39.97450 ?  273 HOH B O   1 
HETATM 1241 O O   . HOH F 3 .  ? -3.52024  -9.62443  30.05994 1.000 45.09482 ?  274 HOH B O   1 
HETATM 1242 O O   . HOH F 3 .  ? -4.77825  -24.59681 8.18994  1.000 52.68941 ?  275 HOH B O   1 
HETATM 1243 O O   . HOH F 3 .  ? -9.53153  -13.10926 18.32696 1.000 20.88757 ?  276 HOH B O   1 
HETATM 1244 O O   . HOH G 3 .  ? -21.61845 -0.78527  21.09015 1.000 34.67212 ?  101 HOH C O   1 
HETATM 1245 O O   . HOH G 3 .  ? -16.31430 -6.46800  15.20199 1.000 26.60679 ?  102 HOH C O   1 
HETATM 1246 O O   . HOH G 3 .  ? -2.22421  -9.89661  13.44763 1.000 29.56023 ?  103 HOH C O   1 
HETATM 1247 O O   . HOH G 3 .  ? -9.09996  -6.82526  16.39868 1.000 23.92952 ?  104 HOH C O   1 
HETATM 1248 O O   . HOH G 3 .  ? -6.60900  -10.31999 11.33080 1.000 35.66180 ?  105 HOH C O   1 
HETATM 1249 O O   . HOH G 3 .  ? 0.87129   -12.77996 9.32321  1.000 29.29215 ?  106 HOH C O   1 
HETATM 1250 O O   . HOH G 3 .  ? -22.52584 -3.86909  12.38411 1.000 31.55194 ?  107 HOH C O   1 
HETATM 1251 O O   . HOH G 3 .  ? -18.47142 -8.38249  9.21573  1.000 48.60834 ?  108 HOH C O   1 
HETATM 1252 O O   . HOH G 3 .  ? -22.78941 -3.00033  17.57570 1.000 32.76436 ?  109 HOH C O   1 
HETATM 1253 O O   . HOH G 3 .  ? -7.10427  -3.31401  13.93429 1.000 38.29129 ?  110 HOH C O   1 
HETATM 1254 O O   . HOH G 3 .  ? -19.94988 -5.89041  8.22474  1.000 38.82005 ?  111 HOH C O   1 
HETATM 1255 O O   . HOH G 3 .  ? 3.143     -12.319   5.639    1.000 52.09233 ?  112 HOH C O   1 
HETATM 1256 O O   . HOH G 3 .  ? -21.54830 -1.82508  10.61313 1.000 49.19749 ?  113 HOH C O   1 
HETATM 1257 O O   . HOH G 3 .  ? -4.69644  -3.90766  15.06421 1.000 34.29602 ?  114 HOH C O   1 
HETATM 1258 O O   . HOH G 3 .  ? -23.15441 -2.49227  15.02612 1.000 44.07815 ?  115 HOH C O   1 
HETATM 1259 O O   . HOH G 3 .  ? -18.74324 -3.50668  7.00514  1.000 51.39451 ?  116 HOH C O   1 
HETATM 1260 O O   . HOH H 3 .  ? 4.78192   -15.93970 10.33518 1.000 38.76379 ?  101 HOH D O   1 
HETATM 1261 O O   . HOH H 3 .  ? -13.75156 -12.38684 12.55105 1.000 29.23766 ?  102 HOH D O   1 
HETATM 1262 O O   . HOH H 3 .  ? -6.33404  -22.59191 11.06726 1.000 36.08368 ?  103 HOH D O   1 
HETATM 1263 O O   . HOH H 3 .  ? -7.06038  -15.17852 15.99501 1.000 25.76463 ?  104 HOH D O   1 
HETATM 1264 O O   . HOH H 3 .  ? 4.59600   -22.45799 21.93981 1.000 35.35787 ?  105 HOH D O   1 
HETATM 1265 O O   . HOH H 3 .  ? -6.66223  -17.60504 8.96674  1.000 42.00346 ?  106 HOH D O   1 
HETATM 1266 O O   . HOH H 3 .  ? 6.32067   -19.81347 18.51910 1.000 32.40294 ?  107 HOH D O   1 
HETATM 1267 O O   . HOH H 3 .  ? -7.39697  -11.11410 9.18975  1.000 41.64277 ?  108 HOH D O   1 
HETATM 1268 O O   . HOH H 3 .  ? 4.95455   -20.24188 10.68618 1.000 43.48924 ?  109 HOH D O   1 
HETATM 1269 O O   . HOH H 3 .  ? 6.45232   -20.08367 15.99327 1.000 38.14750 ?  110 HOH D O   1 
# 
