data_9BL8
# 
_entry.id   9BL8 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.402 
_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   9BL8         pdb_00009bl8 10.2210/pdb9bl8/pdb 
WWPDB D_1000283387 ?            ?                   
# 
_pdbx_audit_revision_history.ordinal             1 
_pdbx_audit_revision_history.data_content_type   'Structure model' 
_pdbx_audit_revision_history.major_revision      1 
_pdbx_audit_revision_history.minor_revision      0 
_pdbx_audit_revision_history.revision_date       2025-03-12 
_pdbx_audit_revision_history.part_number         ? 
# 
_pdbx_audit_revision_details.ordinal             1 
_pdbx_audit_revision_details.revision_ordinal    1 
_pdbx_audit_revision_details.data_content_type   'Structure model' 
_pdbx_audit_revision_details.provider            repository 
_pdbx_audit_revision_details.type                'Initial release' 
_pdbx_audit_revision_details.description         ? 
_pdbx_audit_revision_details.details             ? 
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        9BL8 
_pdbx_database_status.recvd_initial_deposition_date   2024-04-29 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    RCSB 
_pdbx_database_status.process_site                    RCSB 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           Y 
# 
_pdbx_contact_author.id                 2 
_pdbx_contact_author.email              chris@biochem.utah.edu 
_pdbx_contact_author.name_first         Christopher 
_pdbx_contact_author.name_last          Hill 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0001-6796-7740 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Wienkers, H.J.' 1 0000-0001-7948-3241 
'Han, H.'        2 0000-0003-0361-4254 
'Whitby, F.G.'   3 0000-0003-3511-2216 
'Hill, C.P.'     4 0000-0001-6796-7740 
# 
_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                   US 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            Biorxiv 
_citation.journal_id_ASTM           ? 
_citation.journal_id_CSD            ? 
_citation.journal_id_ISSN           2692-8205 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            ? 
_citation.language                  ? 
_citation.page_first                ? 
_citation.page_last                 ? 
_citation.title                     
'Vps4 substrate binding and coupled mechanisms of Vps4p substrate recruitment and release from autoinhibition.' 
_citation.year                      2024 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1101/2024.09.07.611824 
_citation.pdbx_database_id_PubMed   39282404 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Wienkers, H.J.' 1 0000-0001-7948-3241 
primary 'Han, H.'        2 0000-0003-0361-4254 
primary 'Whitby, F.G.'   3 0000-0003-3511-2216 
primary 'Hill, C.P.'     4 0000-0001-6796-7740 
# 
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 'Vacuolar protein sorting-associated protein 4' 9519.728 1   ? 'L7C, A43C' 'MIT Domain' ? 
2 non-polymer syn 'CHLORIDE ION'                                  35.453   1   ? ?           ?            ? 
3 water       nat water                                           18.015   150 ? ?           ?            ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        'DOA4-independent degradation protein 6,Protein END13,Vacuolar protein-targeting protein 10' 
# 
_entity_poly.entity_id                      1 
_entity_poly.type                           'polypeptide(L)' 
_entity_poly.nstd_linkage                   no 
_entity_poly.nstd_monomer                   no 
_entity_poly.pdbx_seq_one_letter_code       
;GMSTGDFCTKGIELVQKAIDLDTATQYEEAYTAYYNGLDYLMLCLKYEKNPKSKDLIRAKFTEYLNRAEQLKKHLESEEA
NAA
;
_entity_poly.pdbx_seq_one_letter_code_can   
;GMSTGDFCTKGIELVQKAIDLDTATQYEEAYTAYYNGLDYLMLCLKYEKNPKSKDLIRAKFTEYLNRAEQLKKHLESEEA
NAA
;
_entity_poly.pdbx_strand_id                 A 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 'CHLORIDE ION' CL  
3 water          HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1  GLY n 
1 2  MET n 
1 3  SER n 
1 4  THR n 
1 5  GLY n 
1 6  ASP n 
1 7  PHE n 
1 8  CYS n 
1 9  THR n 
1 10 LYS n 
1 11 GLY n 
1 12 ILE n 
1 13 GLU n 
1 14 LEU n 
1 15 VAL n 
1 16 GLN n 
1 17 LYS n 
1 18 ALA n 
1 19 ILE n 
1 20 ASP n 
1 21 LEU n 
1 22 ASP n 
1 23 THR n 
1 24 ALA n 
1 25 THR n 
1 26 GLN n 
1 27 TYR n 
1 28 GLU n 
1 29 GLU n 
1 30 ALA n 
1 31 TYR n 
1 32 THR n 
1 33 ALA n 
1 34 TYR n 
1 35 TYR n 
1 36 ASN n 
1 37 GLY n 
1 38 LEU n 
1 39 ASP n 
1 40 TYR n 
1 41 LEU n 
1 42 MET n 
1 43 LEU n 
1 44 CYS n 
1 45 LEU n 
1 46 LYS n 
1 47 TYR n 
1 48 GLU n 
1 49 LYS n 
1 50 ASN n 
1 51 PRO n 
1 52 LYS n 
1 53 SER n 
1 54 LYS n 
1 55 ASP n 
1 56 LEU n 
1 57 ILE n 
1 58 ARG n 
1 59 ALA n 
1 60 LYS n 
1 61 PHE n 
1 62 THR n 
1 63 GLU n 
1 64 TYR n 
1 65 LEU n 
1 66 ASN n 
1 67 ARG n 
1 68 ALA n 
1 69 GLU n 
1 70 GLN n 
1 71 LEU n 
1 72 LYS n 
1 73 LYS n 
1 74 HIS n 
1 75 LEU n 
1 76 GLU n 
1 77 SER n 
1 78 GLU n 
1 79 GLU n 
1 80 ALA n 
1 81 ASN n 
1 82 ALA n 
1 83 ALA n 
# 
_entity_src_gen.entity_id                          1 
_entity_src_gen.pdbx_src_id                        1 
_entity_src_gen.pdbx_alt_source_flag               sample 
_entity_src_gen.pdbx_seq_type                      'Biological sequence' 
_entity_src_gen.pdbx_beg_seq_num                   1 
_entity_src_gen.pdbx_end_seq_num                   83 
_entity_src_gen.gene_src_common_name               ? 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 'VPS4, CSC1, DID6, END13, GRD13, VPL4, VPT10, YPR173C, P9705.10' 
_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      'Saccharomyces cerevisiae' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     4932 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      'Escherichia coli' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     562 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
ALA 'L-peptide linking' y ALANINE         ? 'C3 H7 N O2'     89.093  
ARG 'L-peptide linking' y ARGININE        ? 'C6 H15 N4 O2 1' 175.209 
ASN 'L-peptide linking' y ASPARAGINE      ? 'C4 H8 N2 O3'    132.118 
ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4'     133.103 
CL  non-polymer         . 'CHLORIDE ION'  ? 'Cl -1'          35.453  
CYS 'L-peptide linking' y CYSTEINE        ? 'C3 H7 N O2 S'   121.158 
GLN 'L-peptide linking' y GLUTAMINE       ? 'C5 H10 N2 O3'   146.144 
GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4'     147.129 
GLY 'peptide linking'   y GLYCINE         ? 'C2 H5 N O2'     75.067  
HIS 'L-peptide linking' y HISTIDINE       ? 'C6 H10 N3 O2 1' 156.162 
HOH non-polymer         . WATER           ? 'H2 O'           18.015  
ILE 'L-peptide linking' y ISOLEUCINE      ? 'C6 H13 N O2'    131.173 
LEU 'L-peptide linking' y LEUCINE         ? 'C6 H13 N O2'    131.173 
LYS 'L-peptide linking' y LYSINE          ? 'C6 H15 N2 O2 1' 147.195 
MET 'L-peptide linking' y METHIONINE      ? 'C5 H11 N O2 S'  149.211 
PHE 'L-peptide linking' y PHENYLALANINE   ? 'C9 H11 N O2'    165.189 
PRO 'L-peptide linking' y PROLINE         ? 'C5 H9 N O2'     115.130 
SER 'L-peptide linking' y SERINE          ? 'C3 H7 N O3'     105.093 
THR 'L-peptide linking' y THREONINE       ? 'C4 H9 N O3'     119.119 
TYR 'L-peptide linking' y TYROSINE        ? 'C9 H11 N O3'    181.189 
VAL 'L-peptide linking' y VALINE          ? 'C5 H11 N O2'    117.146 
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1  GLY 1  1  1  GLY GLY A . n 
A 1 2  MET 2  2  2  MET MET A . n 
A 1 3  SER 3  3  3  SER SER A . n 
A 1 4  THR 4  4  4  THR THR A . n 
A 1 5  GLY 5  5  5  GLY GLY A . n 
A 1 6  ASP 6  6  6  ASP ASP A . n 
A 1 7  PHE 7  7  7  PHE PHE A . n 
A 1 8  CYS 8  8  8  CYS CYS A . n 
A 1 9  THR 9  9  9  THR THR A . n 
A 1 10 LYS 10 10 10 LYS LYS A . n 
A 1 11 GLY 11 11 11 GLY GLY A . n 
A 1 12 ILE 12 12 12 ILE ILE A . n 
A 1 13 GLU 13 13 13 GLU GLU A . n 
A 1 14 LEU 14 14 14 LEU LEU A . n 
A 1 15 VAL 15 15 15 VAL VAL A . n 
A 1 16 GLN 16 16 16 GLN GLN A . n 
A 1 17 LYS 17 17 17 LYS LYS A . n 
A 1 18 ALA 18 18 18 ALA ALA A . n 
A 1 19 ILE 19 19 19 ILE ILE A . n 
A 1 20 ASP 20 20 20 ASP ASP A . n 
A 1 21 LEU 21 21 21 LEU LEU A . n 
A 1 22 ASP 22 22 22 ASP ASP A . n 
A 1 23 THR 23 23 23 THR THR A . n 
A 1 24 ALA 24 24 24 ALA ALA A . n 
A 1 25 THR 25 25 25 THR THR A . n 
A 1 26 GLN 26 26 26 GLN GLN A . n 
A 1 27 TYR 27 27 27 TYR TYR A . n 
A 1 28 GLU 28 28 28 GLU GLU A . n 
A 1 29 GLU 29 29 29 GLU GLU A . n 
A 1 30 ALA 30 30 30 ALA ALA A . n 
A 1 31 TYR 31 31 31 TYR TYR A . n 
A 1 32 THR 32 32 32 THR THR A . n 
A 1 33 ALA 33 33 33 ALA ALA A . n 
A 1 34 TYR 34 34 34 TYR TYR A . n 
A 1 35 TYR 35 35 35 TYR TYR A . n 
A 1 36 ASN 36 36 36 ASN ASN A . n 
A 1 37 GLY 37 37 37 GLY GLY A . n 
A 1 38 LEU 38 38 38 LEU LEU A . n 
A 1 39 ASP 39 39 39 ASP ASP A . n 
A 1 40 TYR 40 40 40 TYR TYR A . n 
A 1 41 LEU 41 41 41 LEU LEU A . n 
A 1 42 MET 42 42 42 MET MET A . n 
A 1 43 LEU 43 43 43 LEU LEU A . n 
A 1 44 CYS 44 44 44 CYS CYS A . n 
A 1 45 LEU 45 45 45 LEU LEU A . n 
A 1 46 LYS 46 46 46 LYS LYS A . n 
A 1 47 TYR 47 47 47 TYR TYR A . n 
A 1 48 GLU 48 48 48 GLU GLU A . n 
A 1 49 LYS 49 49 49 LYS LYS A . n 
A 1 50 ASN 50 50 50 ASN ASN A . n 
A 1 51 PRO 51 51 51 PRO PRO A . n 
A 1 52 LYS 52 52 52 LYS LYS A . n 
A 1 53 SER 53 53 53 SER SER A . n 
A 1 54 LYS 54 54 54 LYS LYS A . n 
A 1 55 ASP 55 55 55 ASP ASP A . n 
A 1 56 LEU 56 56 56 LEU LEU A . n 
A 1 57 ILE 57 57 57 ILE ILE A . n 
A 1 58 ARG 58 58 58 ARG ARG A . n 
A 1 59 ALA 59 59 59 ALA ALA A . n 
A 1 60 LYS 60 60 60 LYS LYS A . n 
A 1 61 PHE 61 61 61 PHE PHE A . n 
A 1 62 THR 62 62 62 THR THR A . n 
A 1 63 GLU 63 63 63 GLU GLU A . n 
A 1 64 TYR 64 64 64 TYR TYR A . n 
A 1 65 LEU 65 65 65 LEU LEU A . n 
A 1 66 ASN 66 66 66 ASN ASN A . n 
A 1 67 ARG 67 67 67 ARG ARG A . n 
A 1 68 ALA 68 68 68 ALA ALA A . n 
A 1 69 GLU 69 69 69 GLU GLU A . n 
A 1 70 GLN 70 70 70 GLN GLN A . n 
A 1 71 LEU 71 71 71 LEU LEU A . n 
A 1 72 LYS 72 72 72 LYS LYS A . n 
A 1 73 LYS 73 73 73 LYS LYS A . n 
A 1 74 HIS 74 74 74 HIS HIS A . n 
A 1 75 LEU 75 75 75 LEU LEU A . n 
A 1 76 GLU 76 76 76 GLU GLU A . n 
A 1 77 SER 77 77 77 SER SER A . n 
A 1 78 GLU 78 78 78 GLU GLU A . n 
A 1 79 GLU 79 79 79 GLU GLU A . n 
A 1 80 ALA 80 80 80 ALA ALA A . n 
A 1 81 ASN 81 81 81 ASN ASN A . n 
A 1 82 ALA 82 82 82 ALA ALA A . n 
A 1 83 ALA 83 83 83 ALA ALA A . n 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
B 2 CL  1   101 1   CL  CL  A . 
C 3 HOH 1   201 88  HOH HOH A . 
C 3 HOH 2   202 40  HOH HOH A . 
C 3 HOH 3   203 18  HOH HOH A . 
C 3 HOH 4   204 77  HOH HOH A . 
C 3 HOH 5   205 54  HOH HOH A . 
C 3 HOH 6   206 100 HOH HOH A . 
C 3 HOH 7   207 70  HOH HOH A . 
C 3 HOH 8   208 23  HOH HOH A . 
C 3 HOH 9   209 66  HOH HOH A . 
C 3 HOH 10  210 17  HOH HOH A . 
C 3 HOH 11  211 43  HOH HOH A . 
C 3 HOH 12  212 47  HOH HOH A . 
C 3 HOH 13  213 6   HOH HOH A . 
C 3 HOH 14  214 56  HOH HOH A . 
C 3 HOH 15  215 92  HOH HOH A . 
C 3 HOH 16  216 37  HOH HOH A . 
C 3 HOH 17  217 41  HOH HOH A . 
C 3 HOH 18  218 131 HOH HOH A . 
C 3 HOH 19  219 73  HOH HOH A . 
C 3 HOH 20  220 13  HOH HOH A . 
C 3 HOH 21  221 1   HOH HOH A . 
C 3 HOH 22  222 107 HOH HOH A . 
C 3 HOH 23  223 31  HOH HOH A . 
C 3 HOH 24  224 11  HOH HOH A . 
C 3 HOH 25  225 71  HOH HOH A . 
C 3 HOH 26  226 59  HOH HOH A . 
C 3 HOH 27  227 32  HOH HOH A . 
C 3 HOH 28  228 30  HOH HOH A . 
C 3 HOH 29  229 15  HOH HOH A . 
C 3 HOH 30  230 119 HOH HOH A . 
C 3 HOH 31  231 29  HOH HOH A . 
C 3 HOH 32  232 69  HOH HOH A . 
C 3 HOH 33  233 28  HOH HOH A . 
C 3 HOH 34  234 74  HOH HOH A . 
C 3 HOH 35  235 60  HOH HOH A . 
C 3 HOH 36  236 38  HOH HOH A . 
C 3 HOH 37  237 58  HOH HOH A . 
C 3 HOH 38  238 8   HOH HOH A . 
C 3 HOH 39  239 14  HOH HOH A . 
C 3 HOH 40  240 19  HOH HOH A . 
C 3 HOH 41  241 122 HOH HOH A . 
C 3 HOH 42  242 112 HOH HOH A . 
C 3 HOH 43  243 52  HOH HOH A . 
C 3 HOH 44  244 12  HOH HOH A . 
C 3 HOH 45  245 5   HOH HOH A . 
C 3 HOH 46  246 3   HOH HOH A . 
C 3 HOH 47  247 42  HOH HOH A . 
C 3 HOH 48  248 16  HOH HOH A . 
C 3 HOH 49  249 2   HOH HOH A . 
C 3 HOH 50  250 57  HOH HOH A . 
C 3 HOH 51  251 53  HOH HOH A . 
C 3 HOH 52  252 98  HOH HOH A . 
C 3 HOH 53  253 79  HOH HOH A . 
C 3 HOH 54  254 25  HOH HOH A . 
C 3 HOH 55  255 120 HOH HOH A . 
C 3 HOH 56  256 7   HOH HOH A . 
C 3 HOH 57  257 34  HOH HOH A . 
C 3 HOH 58  258 48  HOH HOH A . 
C 3 HOH 59  259 78  HOH HOH A . 
C 3 HOH 60  260 135 HOH HOH A . 
C 3 HOH 61  261 132 HOH HOH A . 
C 3 HOH 62  262 65  HOH HOH A . 
C 3 HOH 63  263 9   HOH HOH A . 
C 3 HOH 64  264 82  HOH HOH A . 
C 3 HOH 65  265 10  HOH HOH A . 
C 3 HOH 66  266 140 HOH HOH A . 
C 3 HOH 67  267 46  HOH HOH A . 
C 3 HOH 68  268 124 HOH HOH A . 
C 3 HOH 69  269 50  HOH HOH A . 
C 3 HOH 70  270 26  HOH HOH A . 
C 3 HOH 71  271 21  HOH HOH A . 
C 3 HOH 72  272 90  HOH HOH A . 
C 3 HOH 73  273 61  HOH HOH A . 
C 3 HOH 74  274 146 HOH HOH A . 
C 3 HOH 75  275 24  HOH HOH A . 
C 3 HOH 76  276 36  HOH HOH A . 
C 3 HOH 77  277 91  HOH HOH A . 
C 3 HOH 78  278 51  HOH HOH A . 
C 3 HOH 79  279 105 HOH HOH A . 
C 3 HOH 80  280 67  HOH HOH A . 
C 3 HOH 81  281 45  HOH HOH A . 
C 3 HOH 82  282 20  HOH HOH A . 
C 3 HOH 83  283 117 HOH HOH A . 
C 3 HOH 84  284 85  HOH HOH A . 
C 3 HOH 85  285 96  HOH HOH A . 
C 3 HOH 86  286 64  HOH HOH A . 
C 3 HOH 87  287 115 HOH HOH A . 
C 3 HOH 88  288 139 HOH HOH A . 
C 3 HOH 89  289 97  HOH HOH A . 
C 3 HOH 90  290 83  HOH HOH A . 
C 3 HOH 91  291 113 HOH HOH A . 
C 3 HOH 92  292 137 HOH HOH A . 
C 3 HOH 93  293 110 HOH HOH A . 
C 3 HOH 94  294 118 HOH HOH A . 
C 3 HOH 95  295 68  HOH HOH A . 
C 3 HOH 96  296 133 HOH HOH A . 
C 3 HOH 97  297 104 HOH HOH A . 
C 3 HOH 98  298 99  HOH HOH A . 
C 3 HOH 99  299 123 HOH HOH A . 
C 3 HOH 100 300 86  HOH HOH A . 
C 3 HOH 101 301 35  HOH HOH A . 
C 3 HOH 102 302 109 HOH HOH A . 
C 3 HOH 103 303 150 HOH HOH A . 
C 3 HOH 104 304 149 HOH HOH A . 
C 3 HOH 105 305 111 HOH HOH A . 
C 3 HOH 106 306 33  HOH HOH A . 
C 3 HOH 107 307 145 HOH HOH A . 
C 3 HOH 108 308 108 HOH HOH A . 
C 3 HOH 109 309 143 HOH HOH A . 
C 3 HOH 110 310 39  HOH HOH A . 
C 3 HOH 111 311 80  HOH HOH A . 
C 3 HOH 112 312 72  HOH HOH A . 
C 3 HOH 113 313 81  HOH HOH A . 
C 3 HOH 114 314 44  HOH HOH A . 
C 3 HOH 115 315 89  HOH HOH A . 
C 3 HOH 116 316 49  HOH HOH A . 
C 3 HOH 117 317 103 HOH HOH A . 
C 3 HOH 118 318 141 HOH HOH A . 
C 3 HOH 119 319 76  HOH HOH A . 
C 3 HOH 120 320 144 HOH HOH A . 
C 3 HOH 121 321 87  HOH HOH A . 
C 3 HOH 122 322 147 HOH HOH A . 
C 3 HOH 123 323 138 HOH HOH A . 
C 3 HOH 124 324 4   HOH HOH A . 
C 3 HOH 125 325 130 HOH HOH A . 
C 3 HOH 126 326 63  HOH HOH A . 
C 3 HOH 127 327 106 HOH HOH A . 
C 3 HOH 128 328 93  HOH HOH A . 
C 3 HOH 129 329 148 HOH HOH A . 
C 3 HOH 130 330 129 HOH HOH A . 
C 3 HOH 131 331 127 HOH HOH A . 
C 3 HOH 132 332 84  HOH HOH A . 
C 3 HOH 133 333 114 HOH HOH A . 
C 3 HOH 134 334 121 HOH HOH A . 
C 3 HOH 135 335 126 HOH HOH A . 
C 3 HOH 136 336 27  HOH HOH A . 
C 3 HOH 137 337 62  HOH HOH A . 
C 3 HOH 138 338 22  HOH HOH A . 
C 3 HOH 139 339 134 HOH HOH A . 
C 3 HOH 140 340 95  HOH HOH A . 
C 3 HOH 141 341 75  HOH HOH A . 
C 3 HOH 142 342 136 HOH HOH A . 
C 3 HOH 143 343 101 HOH HOH A . 
C 3 HOH 144 344 55  HOH HOH A . 
C 3 HOH 145 345 94  HOH HOH A . 
C 3 HOH 146 346 125 HOH HOH A . 
C 3 HOH 147 347 102 HOH HOH A . 
C 3 HOH 148 348 142 HOH HOH A . 
C 3 HOH 149 349 116 HOH HOH A . 
C 3 HOH 150 350 128 HOH HOH A . 
# 
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 ? ? ? 1.21_5207 1 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? XDS    ? ? ? .         2 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? XDS    ? ? ? .         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                     9BL8 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     20.699 
_cell.length_a_esd                 ? 
_cell.length_b                     42.939 
_cell.length_b_esd                 ? 
_cell.length_c                     96.463 
_cell.length_c_esd                 ? 
_cell.volume                       85735.770 
_cell.volume_esd                   ? 
_cell.Z_PDB                        4 
_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                         9BL8 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                19 
_symmetry.space_group_name_Hall            'P 2ac 2ab' 
_symmetry.space_group_name_H-M             'P 21 21 21' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
# 
_exptl.absorpt_coefficient_mu     ? 
_exptl.absorpt_correction_T_max   ? 
_exptl.absorpt_correction_T_min   ? 
_exptl.absorpt_correction_type    ? 
_exptl.absorpt_process_details    ? 
_exptl.entry_id                   9BL8 
_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             2.25 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          45.37 
_exptl_crystal.description                  ? 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_esd   ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, SITTING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              8 
_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    
;Vps4 MIT Domain (10mg/ml) in 20mM Tris pH = 8, 100mM NaCl mixed in a 1:2 ratio with 0.2M Calcium Chloride dihydrate, 0.1M sodium acetate trihydrate pH=4.6, 20% 2-propanol
;
_exptl_crystal_grow.pdbx_pH_range   4.6-8 
_exptl_crystal_grow.temp            294 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     100 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'DECTRIS EIGER X 16M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2021-07-15 
_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   0.979460 
_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                        'SSRL BEAMLINE BL12-1' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.979460 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   BL12-1 
_diffrn_source.pdbx_synchrotron_site       SSRL 
# 
_reflns.B_iso_Wilson_estimate                          10.90 
_reflns.entry_id                                       9BL8 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.30 
_reflns.d_resolution_low                               32.07 
_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                                     19914 
_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                           90.05 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                3.9 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          7.95 
_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                                0.15 
_reflns.pdbx_Rpim_I_all                                0.06755 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.983 
_reflns.pdbx_CC_star                                   0.996 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.1327 
_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                                    1.3 
_reflns_shell.d_res_low                                     1.33 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           1.72 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             1397 
_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                               3.33 
_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                               0.5555 
_reflns_shell.pdbx_Rpim_I_all                               0.2675 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.734 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          92.59 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  0.4811 
_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                               15.48 
_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                                 9BL8 
_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                            1.30 
_refine.ls_d_res_low                             32.07 
_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                     19910 
_refine.ls_number_reflns_R_free                  1992 
_refine.ls_number_reflns_R_work                  17918 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    90.05 
_refine.ls_percent_reflns_R_free                 10.01 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.1405 
_refine.ls_R_factor_R_free                       0.1803 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1360 
_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                          1.39 
_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                 15.6160 
_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                            0.1205 
_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                       1.30 
_refine_hist.d_res_low                        32.07 
_refine_hist.number_atoms_solvent             150 
_refine_hist.number_atoms_total               817 
_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        666 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         1 
_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' ? 0.0065  ? 739  ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 0.8472  ? 1009 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 0.0640  ? 111  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.0052  ? 131  ? f_plane_restr      ? ? 
'X-RAY DIFFRACTION' ? 15.2347 ? 300  ? 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' 1.30 1.33  . . 140 1259 92.59 . . . . 0.1932 . . . . . . . . . . . 0.2436 
'X-RAY DIFFRACTION' 1.33 1.37  . . 143 1280 90.81 . . . . 0.1659 . . . . . . . . . . . 0.2376 
'X-RAY DIFFRACTION' 1.37 1.41  . . 144 1302 93.96 . . . . 0.1666 . . . . . . . . . . . 0.2187 
'X-RAY DIFFRACTION' 1.41 1.45  . . 146 1315 94.08 . . . . 0.1738 . . . . . . . . . . . 0.2398 
'X-RAY DIFFRACTION' 1.45 1.50  . . 143 1288 92.14 . . . . 0.1305 . . . . . . . . . . . 0.1813 
'X-RAY DIFFRACTION' 1.50 1.56  . . 147 1317 94.88 . . . . 0.1219 . . . . . . . . . . . 0.1704 
'X-RAY DIFFRACTION' 1.56 1.64  . . 144 1299 91.91 . . . . 0.1147 . . . . . . . . . . . 0.1774 
'X-RAY DIFFRACTION' 1.64 1.72  . . 148 1328 92.77 . . . . 0.1305 . . . . . . . . . . . 0.1855 
'X-RAY DIFFRACTION' 1.72 1.83  . . 143 1285 91.83 . . . . 0.1295 . . . . . . . . . . . 0.2041 
'X-RAY DIFFRACTION' 1.83 1.97  . . 137 1238 87.64 . . . . 0.1247 . . . . . . . . . . . 0.1500 
'X-RAY DIFFRACTION' 1.97 2.17  . . 141 1267 89.00 . . . . 0.1142 . . . . . . . . . . . 0.1754 
'X-RAY DIFFRACTION' 2.17 2.48  . . 142 1281 88.44 . . . . 0.1172 . . . . . . . . . . . 0.1386 
'X-RAY DIFFRACTION' 2.48 3.13  . . 139 1258 85.60 . . . . 0.1367 . . . . . . . . . . . 0.1722 
'X-RAY DIFFRACTION' 3.13 32.07 . . 135 1201 77.14 . . . . 0.1553 . . . . . . . . . . . 0.1910 
# 
_struct.entry_id                     9BL8 
_struct.title                        'MIT (L7C/A43C) Domain of Vps4p' 
_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        9BL8 
_struct_keywords.text            'Vps4 ESCRT ESCRTIII MIT MIM Disulfide Bond, PROTEIN TRANSPORT' 
_struct_keywords.pdbx_keywords   'PROTEIN TRANSPORT' 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 3 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    VPS4_YEAST 
_struct_ref.pdbx_db_accession          P52917 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;MSTGDFLTKGIELVQKAIDLDTATQYEEAYTAYYNGLDYLMLALKYEKNPKSKDLIRAKFTEYLNRAEQLKKHLESEEAN
AA
;
_struct_ref.pdbx_align_begin           1 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              9BL8 
_struct_ref_seq.pdbx_strand_id                A 
_struct_ref_seq.seq_align_beg                 2 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 83 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             P52917 
_struct_ref_seq.db_align_beg                  1 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  82 
_struct_ref_seq.pdbx_db_align_end_ins_code    ? 
_struct_ref_seq.pdbx_auth_seq_align_beg       2 
_struct_ref_seq.pdbx_auth_seq_align_end       83 
# 
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 9BL8 GLY A 1  ? UNP P52917 ?   ?  'expression tag'      1  1 
1 9BL8 CYS A 8  ? UNP P52917 LEU 7  'engineered mutation' 8  2 
1 9BL8 CYS A 44 ? UNP P52917 ALA 43 'engineered mutation' 44 3 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C 
# 
_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 SER A 3  ? ALA A 24 ? SER A 3  ALA A 24 1 ? 22 
HELX_P HELX_P2 AA2 GLN A 26 ? GLU A 48 ? GLN A 26 GLU A 48 1 ? 23 
HELX_P HELX_P3 AA3 ASN A 50 ? ALA A 83 ? ASN A 50 ALA A 83 1 ? 34 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
_struct_conn.id                            disulf1 
_struct_conn.conn_type_id                  disulf 
_struct_conn.pdbx_leaving_atom_flag        ? 
_struct_conn.pdbx_PDB_id                   ? 
_struct_conn.ptnr1_label_asym_id           A 
_struct_conn.ptnr1_label_comp_id           CYS 
_struct_conn.ptnr1_label_seq_id            8 
_struct_conn.ptnr1_label_atom_id           SG 
_struct_conn.pdbx_ptnr1_label_alt_id       B 
_struct_conn.pdbx_ptnr1_PDB_ins_code       ? 
_struct_conn.pdbx_ptnr1_standard_comp_id   ? 
_struct_conn.ptnr1_symmetry                1_555 
_struct_conn.ptnr2_label_asym_id           A 
_struct_conn.ptnr2_label_comp_id           CYS 
_struct_conn.ptnr2_label_seq_id            44 
_struct_conn.ptnr2_label_atom_id           SG 
_struct_conn.pdbx_ptnr2_label_alt_id       ? 
_struct_conn.pdbx_ptnr2_PDB_ins_code       ? 
_struct_conn.ptnr1_auth_asym_id            A 
_struct_conn.ptnr1_auth_comp_id            CYS 
_struct_conn.ptnr1_auth_seq_id             8 
_struct_conn.ptnr2_auth_asym_id            A 
_struct_conn.ptnr2_auth_comp_id            CYS 
_struct_conn.ptnr2_auth_seq_id             44 
_struct_conn.ptnr2_symmetry                1_555 
_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               2.037 
_struct_conn.pdbx_value_order              ? 
_struct_conn.pdbx_role                     ? 
# 
_struct_conn_type.id          disulf 
_struct_conn_type.criteria    ? 
_struct_conn_type.reference   ? 
# 
_pdbx_modification_feature.ordinal                            1 
_pdbx_modification_feature.label_comp_id                      CYS 
_pdbx_modification_feature.label_asym_id                      A 
_pdbx_modification_feature.label_seq_id                       8 
_pdbx_modification_feature.label_alt_id                       B 
_pdbx_modification_feature.modified_residue_label_comp_id     CYS 
_pdbx_modification_feature.modified_residue_label_asym_id     A 
_pdbx_modification_feature.modified_residue_label_seq_id      44 
_pdbx_modification_feature.modified_residue_label_alt_id      ? 
_pdbx_modification_feature.auth_comp_id                       CYS 
_pdbx_modification_feature.auth_asym_id                       A 
_pdbx_modification_feature.auth_seq_id                        8 
_pdbx_modification_feature.PDB_ins_code                       ? 
_pdbx_modification_feature.symmetry                           1_555 
_pdbx_modification_feature.modified_residue_auth_comp_id      CYS 
_pdbx_modification_feature.modified_residue_auth_asym_id      A 
_pdbx_modification_feature.modified_residue_auth_seq_id       44 
_pdbx_modification_feature.modified_residue_PDB_ins_code      ? 
_pdbx_modification_feature.modified_residue_symmetry          1_555 
_pdbx_modification_feature.comp_id_linking_atom               SG 
_pdbx_modification_feature.modified_residue_id_linking_atom   SG 
_pdbx_modification_feature.modified_residue_id                . 
_pdbx_modification_feature.ref_pcm_id                         . 
_pdbx_modification_feature.ref_comp_id                        . 
_pdbx_modification_feature.type                               None 
_pdbx_modification_feature.category                           'Disulfide bridge' 
# 
_pdbx_entry_details.entry_id                   9BL8 
_pdbx_entry_details.has_ligand_of_interest     N 
_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 260 ? ? O A HOH 288 ? ? 2.00 
2 1 O   A HOH 309 ? ? O A HOH 323 ? ? 2.00 
3 1 O   A HOH 337 ? ? O A HOH 343 ? ? 2.05 
4 1 O   A HOH 209 ? ? O A HOH 274 ? ? 2.06 
5 1 O   A HOH 293 ? ? O A HOH 308 ? ? 2.06 
6 1 OD1 A ASN 66  ? A O A HOH 201 ? ? 2.07 
7 1 OE1 A GLU 78  ? B O A HOH 202 ? ? 2.07 
8 1 O   A HOH 295 ? ? O A HOH 322 ? ? 2.08 
9 1 O   A HOH 250 ? ? O A HOH 333 ? ? 2.18 
# 
loop_
_pdbx_validate_symm_contact.id 
_pdbx_validate_symm_contact.PDB_model_num 
_pdbx_validate_symm_contact.auth_atom_id_1 
_pdbx_validate_symm_contact.auth_asym_id_1 
_pdbx_validate_symm_contact.auth_comp_id_1 
_pdbx_validate_symm_contact.auth_seq_id_1 
_pdbx_validate_symm_contact.PDB_ins_code_1 
_pdbx_validate_symm_contact.label_alt_id_1 
_pdbx_validate_symm_contact.site_symmetry_1 
_pdbx_validate_symm_contact.auth_atom_id_2 
_pdbx_validate_symm_contact.auth_asym_id_2 
_pdbx_validate_symm_contact.auth_comp_id_2 
_pdbx_validate_symm_contact.auth_seq_id_2 
_pdbx_validate_symm_contact.PDB_ins_code_2 
_pdbx_validate_symm_contact.label_alt_id_2 
_pdbx_validate_symm_contact.site_symmetry_2 
_pdbx_validate_symm_contact.dist 
1 1 O A HOH 309 ? ? 1_555 O A HOH 325 ? ? 1_455 2.02 
2 1 O A HOH 283 ? ? 1_555 O A HOH 334 ? ? 1_655 2.05 
3 1 O A HOH 323 ? ? 1_555 O A HOH 325 ? ? 1_455 2.06 
4 1 O A HOH 299 ? ? 1_555 O A HOH 339 ? ? 1_455 2.07 
5 1 O A HOH 299 ? ? 1_555 O A HOH 318 ? ? 1_455 2.12 
6 1 O A HOH 214 ? ? 1_555 O A HOH 328 ? ? 3_454 2.16 
# 
loop_
_space_group_symop.id 
_space_group_symop.operation_xyz 
1 x,y,z           
2 x+1/2,-y+1/2,-z 
3 -x,y+1/2,-z+1/2 
4 -x+1/2,-y,z+1/2 
# 
_pdbx_distant_solvent_atoms.id                                1 
_pdbx_distant_solvent_atoms.PDB_model_num                     1 
_pdbx_distant_solvent_atoms.auth_atom_id                      O 
_pdbx_distant_solvent_atoms.label_alt_id                      ? 
_pdbx_distant_solvent_atoms.auth_asym_id                      A 
_pdbx_distant_solvent_atoms.auth_comp_id                      HOH 
_pdbx_distant_solvent_atoms.auth_seq_id                       350 
_pdbx_distant_solvent_atoms.PDB_ins_code                      ? 
_pdbx_distant_solvent_atoms.neighbor_macromolecule_distance   5.81 
_pdbx_distant_solvent_atoms.neighbor_ligand_distance          . 
# 
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  
CL  CL   CL N N 74  
CYS N    N  N N 75  
CYS CA   C  N R 76  
CYS C    C  N N 77  
CYS O    O  N N 78  
CYS CB   C  N N 79  
CYS SG   S  N N 80  
CYS OXT  O  N N 81  
CYS H    H  N N 82  
CYS H2   H  N N 83  
CYS HA   H  N N 84  
CYS HB2  H  N N 85  
CYS HB3  H  N N 86  
CYS HG   H  N N 87  
CYS HXT  H  N N 88  
GLN N    N  N N 89  
GLN CA   C  N S 90  
GLN C    C  N N 91  
GLN O    O  N N 92  
GLN CB   C  N N 93  
GLN CG   C  N N 94  
GLN CD   C  N N 95  
GLN OE1  O  N N 96  
GLN NE2  N  N N 97  
GLN OXT  O  N N 98  
GLN H    H  N N 99  
GLN H2   H  N N 100 
GLN HA   H  N N 101 
GLN HB2  H  N N 102 
GLN HB3  H  N N 103 
GLN HG2  H  N N 104 
GLN HG3  H  N N 105 
GLN HE21 H  N N 106 
GLN HE22 H  N N 107 
GLN HXT  H  N N 108 
GLU N    N  N N 109 
GLU CA   C  N S 110 
GLU C    C  N N 111 
GLU O    O  N N 112 
GLU CB   C  N N 113 
GLU CG   C  N N 114 
GLU CD   C  N N 115 
GLU OE1  O  N N 116 
GLU OE2  O  N N 117 
GLU OXT  O  N N 118 
GLU H    H  N N 119 
GLU H2   H  N N 120 
GLU HA   H  N N 121 
GLU HB2  H  N N 122 
GLU HB3  H  N N 123 
GLU HG2  H  N N 124 
GLU HG3  H  N N 125 
GLU HE2  H  N N 126 
GLU HXT  H  N N 127 
GLY N    N  N N 128 
GLY CA   C  N N 129 
GLY C    C  N N 130 
GLY O    O  N N 131 
GLY OXT  O  N N 132 
GLY H    H  N N 133 
GLY H2   H  N N 134 
GLY HA2  H  N N 135 
GLY HA3  H  N N 136 
GLY HXT  H  N N 137 
HIS N    N  N N 138 
HIS CA   C  N S 139 
HIS C    C  N N 140 
HIS O    O  N N 141 
HIS CB   C  N N 142 
HIS CG   C  Y N 143 
HIS ND1  N  Y N 144 
HIS CD2  C  Y N 145 
HIS CE1  C  Y N 146 
HIS NE2  N  Y N 147 
HIS OXT  O  N N 148 
HIS H    H  N N 149 
HIS H2   H  N N 150 
HIS HA   H  N N 151 
HIS HB2  H  N N 152 
HIS HB3  H  N N 153 
HIS HD1  H  N N 154 
HIS HD2  H  N N 155 
HIS HE1  H  N N 156 
HIS HE2  H  N N 157 
HIS HXT  H  N N 158 
HOH O    O  N N 159 
HOH H1   H  N N 160 
HOH H2   H  N N 161 
ILE N    N  N N 162 
ILE CA   C  N S 163 
ILE C    C  N N 164 
ILE O    O  N N 165 
ILE CB   C  N S 166 
ILE CG1  C  N N 167 
ILE CG2  C  N N 168 
ILE CD1  C  N N 169 
ILE OXT  O  N N 170 
ILE H    H  N N 171 
ILE H2   H  N N 172 
ILE HA   H  N N 173 
ILE HB   H  N N 174 
ILE HG12 H  N N 175 
ILE HG13 H  N N 176 
ILE HG21 H  N N 177 
ILE HG22 H  N N 178 
ILE HG23 H  N N 179 
ILE HD11 H  N N 180 
ILE HD12 H  N N 181 
ILE HD13 H  N N 182 
ILE HXT  H  N N 183 
LEU N    N  N N 184 
LEU CA   C  N S 185 
LEU C    C  N N 186 
LEU O    O  N N 187 
LEU CB   C  N N 188 
LEU CG   C  N N 189 
LEU CD1  C  N N 190 
LEU CD2  C  N N 191 
LEU OXT  O  N N 192 
LEU H    H  N N 193 
LEU H2   H  N N 194 
LEU HA   H  N N 195 
LEU HB2  H  N N 196 
LEU HB3  H  N N 197 
LEU HG   H  N N 198 
LEU HD11 H  N N 199 
LEU HD12 H  N N 200 
LEU HD13 H  N N 201 
LEU HD21 H  N N 202 
LEU HD22 H  N N 203 
LEU HD23 H  N N 204 
LEU HXT  H  N N 205 
LYS N    N  N N 206 
LYS CA   C  N S 207 
LYS C    C  N N 208 
LYS O    O  N N 209 
LYS CB   C  N N 210 
LYS CG   C  N N 211 
LYS CD   C  N N 212 
LYS CE   C  N N 213 
LYS NZ   N  N N 214 
LYS OXT  O  N N 215 
LYS H    H  N N 216 
LYS H2   H  N N 217 
LYS HA   H  N N 218 
LYS HB2  H  N N 219 
LYS HB3  H  N N 220 
LYS HG2  H  N N 221 
LYS HG3  H  N N 222 
LYS HD2  H  N N 223 
LYS HD3  H  N N 224 
LYS HE2  H  N N 225 
LYS HE3  H  N N 226 
LYS HZ1  H  N N 227 
LYS HZ2  H  N N 228 
LYS HZ3  H  N N 229 
LYS HXT  H  N N 230 
MET N    N  N N 231 
MET CA   C  N S 232 
MET C    C  N N 233 
MET O    O  N N 234 
MET CB   C  N N 235 
MET CG   C  N N 236 
MET SD   S  N N 237 
MET CE   C  N N 238 
MET OXT  O  N N 239 
MET H    H  N N 240 
MET H2   H  N N 241 
MET HA   H  N N 242 
MET HB2  H  N N 243 
MET HB3  H  N N 244 
MET HG2  H  N N 245 
MET HG3  H  N N 246 
MET HE1  H  N N 247 
MET HE2  H  N N 248 
MET HE3  H  N N 249 
MET HXT  H  N N 250 
PHE N    N  N N 251 
PHE CA   C  N S 252 
PHE C    C  N N 253 
PHE O    O  N N 254 
PHE CB   C  N N 255 
PHE CG   C  Y N 256 
PHE CD1  C  Y N 257 
PHE CD2  C  Y N 258 
PHE CE1  C  Y N 259 
PHE CE2  C  Y N 260 
PHE CZ   C  Y N 261 
PHE OXT  O  N N 262 
PHE H    H  N N 263 
PHE H2   H  N N 264 
PHE HA   H  N N 265 
PHE HB2  H  N N 266 
PHE HB3  H  N N 267 
PHE HD1  H  N N 268 
PHE HD2  H  N N 269 
PHE HE1  H  N N 270 
PHE HE2  H  N N 271 
PHE HZ   H  N N 272 
PHE HXT  H  N N 273 
PRO N    N  N N 274 
PRO CA   C  N S 275 
PRO C    C  N N 276 
PRO O    O  N N 277 
PRO CB   C  N N 278 
PRO CG   C  N N 279 
PRO CD   C  N N 280 
PRO OXT  O  N N 281 
PRO H    H  N N 282 
PRO HA   H  N N 283 
PRO HB2  H  N N 284 
PRO HB3  H  N N 285 
PRO HG2  H  N N 286 
PRO HG3  H  N N 287 
PRO HD2  H  N N 288 
PRO HD3  H  N N 289 
PRO HXT  H  N N 290 
SER N    N  N N 291 
SER CA   C  N S 292 
SER C    C  N N 293 
SER O    O  N N 294 
SER CB   C  N N 295 
SER OG   O  N N 296 
SER OXT  O  N N 297 
SER H    H  N N 298 
SER H2   H  N N 299 
SER HA   H  N N 300 
SER HB2  H  N N 301 
SER HB3  H  N N 302 
SER HG   H  N N 303 
SER HXT  H  N N 304 
THR N    N  N N 305 
THR CA   C  N S 306 
THR C    C  N N 307 
THR O    O  N N 308 
THR CB   C  N R 309 
THR OG1  O  N N 310 
THR CG2  C  N N 311 
THR OXT  O  N N 312 
THR H    H  N N 313 
THR H2   H  N N 314 
THR HA   H  N N 315 
THR HB   H  N N 316 
THR HG1  H  N N 317 
THR HG21 H  N N 318 
THR HG22 H  N N 319 
THR HG23 H  N N 320 
THR HXT  H  N N 321 
TYR N    N  N N 322 
TYR CA   C  N S 323 
TYR C    C  N N 324 
TYR O    O  N N 325 
TYR CB   C  N N 326 
TYR CG   C  Y N 327 
TYR CD1  C  Y N 328 
TYR CD2  C  Y N 329 
TYR CE1  C  Y N 330 
TYR CE2  C  Y N 331 
TYR CZ   C  Y N 332 
TYR OH   O  N N 333 
TYR OXT  O  N N 334 
TYR H    H  N N 335 
TYR H2   H  N N 336 
TYR HA   H  N N 337 
TYR HB2  H  N N 338 
TYR HB3  H  N N 339 
TYR HD1  H  N N 340 
TYR HD2  H  N N 341 
TYR HE1  H  N N 342 
TYR HE2  H  N N 343 
TYR HH   H  N N 344 
TYR HXT  H  N N 345 
VAL N    N  N N 346 
VAL CA   C  N S 347 
VAL C    C  N N 348 
VAL O    O  N N 349 
VAL CB   C  N N 350 
VAL CG1  C  N N 351 
VAL CG2  C  N N 352 
VAL OXT  O  N N 353 
VAL H    H  N N 354 
VAL H2   H  N N 355 
VAL HA   H  N N 356 
VAL HB   H  N N 357 
VAL HG11 H  N N 358 
VAL HG12 H  N N 359 
VAL HG13 H  N N 360 
VAL HG21 H  N N 361 
VAL HG22 H  N N 362 
VAL HG23 H  N N 363 
VAL HXT  H  N N 364 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
ALA N   CA   sing N N 1   
ALA N   H    sing N N 2   
ALA N   H2   sing N N 3   
ALA CA  C    sing N N 4   
ALA CA  CB   sing N N 5   
ALA CA  HA   sing N N 6   
ALA C   O    doub N N 7   
ALA C   OXT  sing N N 8   
ALA CB  HB1  sing N N 9   
ALA CB  HB2  sing N N 10  
ALA CB  HB3  sing N N 11  
ALA OXT HXT  sing N N 12  
ARG N   CA   sing N N 13  
ARG N   H    sing N N 14  
ARG N   H2   sing N N 15  
ARG CA  C    sing N N 16  
ARG CA  CB   sing N N 17  
ARG CA  HA   sing N N 18  
ARG C   O    doub N N 19  
ARG C   OXT  sing N N 20  
ARG CB  CG   sing N N 21  
ARG CB  HB2  sing N N 22  
ARG CB  HB3  sing N N 23  
ARG CG  CD   sing N N 24  
ARG CG  HG2  sing N N 25  
ARG CG  HG3  sing N N 26  
ARG CD  NE   sing N N 27  
ARG CD  HD2  sing N N 28  
ARG CD  HD3  sing N N 29  
ARG NE  CZ   sing N N 30  
ARG NE  HE   sing N N 31  
ARG CZ  NH1  sing N N 32  
ARG CZ  NH2  doub N N 33  
ARG NH1 HH11 sing N N 34  
ARG NH1 HH12 sing N N 35  
ARG NH2 HH21 sing N N 36  
ARG NH2 HH22 sing N N 37  
ARG OXT HXT  sing N N 38  
ASN N   CA   sing N N 39  
ASN N   H    sing N N 40  
ASN N   H2   sing N N 41  
ASN CA  C    sing N N 42  
ASN CA  CB   sing N N 43  
ASN CA  HA   sing N N 44  
ASN C   O    doub N N 45  
ASN C   OXT  sing N N 46  
ASN CB  CG   sing N N 47  
ASN CB  HB2  sing N N 48  
ASN CB  HB3  sing N N 49  
ASN CG  OD1  doub N N 50  
ASN CG  ND2  sing N N 51  
ASN ND2 HD21 sing N N 52  
ASN ND2 HD22 sing N N 53  
ASN OXT HXT  sing N N 54  
ASP N   CA   sing N N 55  
ASP N   H    sing N N 56  
ASP N   H2   sing N N 57  
ASP CA  C    sing N N 58  
ASP CA  CB   sing N N 59  
ASP CA  HA   sing N N 60  
ASP C   O    doub N N 61  
ASP C   OXT  sing N N 62  
ASP CB  CG   sing N N 63  
ASP CB  HB2  sing N N 64  
ASP CB  HB3  sing N N 65  
ASP CG  OD1  doub N N 66  
ASP CG  OD2  sing N N 67  
ASP OD2 HD2  sing N N 68  
ASP OXT HXT  sing N N 69  
CYS N   CA   sing N N 70  
CYS N   H    sing N N 71  
CYS N   H2   sing N N 72  
CYS CA  C    sing N N 73  
CYS CA  CB   sing N N 74  
CYS CA  HA   sing N N 75  
CYS C   O    doub N N 76  
CYS C   OXT  sing N N 77  
CYS CB  SG   sing N N 78  
CYS CB  HB2  sing N N 79  
CYS CB  HB3  sing N N 80  
CYS SG  HG   sing N N 81  
CYS OXT HXT  sing N N 82  
GLN N   CA   sing N N 83  
GLN N   H    sing N N 84  
GLN N   H2   sing N N 85  
GLN CA  C    sing N N 86  
GLN CA  CB   sing N N 87  
GLN CA  HA   sing N N 88  
GLN C   O    doub N N 89  
GLN C   OXT  sing N N 90  
GLN CB  CG   sing N N 91  
GLN CB  HB2  sing N N 92  
GLN CB  HB3  sing N N 93  
GLN CG  CD   sing N N 94  
GLN CG  HG2  sing N N 95  
GLN CG  HG3  sing N N 96  
GLN CD  OE1  doub N N 97  
GLN CD  NE2  sing N N 98  
GLN NE2 HE21 sing N N 99  
GLN NE2 HE22 sing N N 100 
GLN OXT HXT  sing N N 101 
GLU N   CA   sing N N 102 
GLU N   H    sing N N 103 
GLU N   H2   sing N N 104 
GLU CA  C    sing N N 105 
GLU CA  CB   sing N N 106 
GLU CA  HA   sing N N 107 
GLU C   O    doub N N 108 
GLU C   OXT  sing N N 109 
GLU CB  CG   sing N N 110 
GLU CB  HB2  sing N N 111 
GLU CB  HB3  sing N N 112 
GLU CG  CD   sing N N 113 
GLU CG  HG2  sing N N 114 
GLU CG  HG3  sing N N 115 
GLU CD  OE1  doub N N 116 
GLU CD  OE2  sing N N 117 
GLU OE2 HE2  sing N N 118 
GLU OXT HXT  sing N N 119 
GLY N   CA   sing N N 120 
GLY N   H    sing N N 121 
GLY N   H2   sing N N 122 
GLY CA  C    sing N N 123 
GLY CA  HA2  sing N N 124 
GLY CA  HA3  sing N N 125 
GLY C   O    doub N N 126 
GLY C   OXT  sing N N 127 
GLY OXT HXT  sing N N 128 
HIS N   CA   sing N N 129 
HIS N   H    sing N N 130 
HIS N   H2   sing N N 131 
HIS CA  C    sing N N 132 
HIS CA  CB   sing N N 133 
HIS CA  HA   sing N N 134 
HIS C   O    doub N N 135 
HIS C   OXT  sing N N 136 
HIS CB  CG   sing N N 137 
HIS CB  HB2  sing N N 138 
HIS CB  HB3  sing N N 139 
HIS CG  ND1  sing Y N 140 
HIS CG  CD2  doub Y N 141 
HIS ND1 CE1  doub Y N 142 
HIS ND1 HD1  sing N N 143 
HIS CD2 NE2  sing Y N 144 
HIS CD2 HD2  sing N N 145 
HIS CE1 NE2  sing Y N 146 
HIS CE1 HE1  sing N N 147 
HIS NE2 HE2  sing N N 148 
HIS OXT HXT  sing N N 149 
HOH O   H1   sing N N 150 
HOH O   H2   sing N N 151 
ILE N   CA   sing N N 152 
ILE N   H    sing N N 153 
ILE N   H2   sing N N 154 
ILE CA  C    sing N N 155 
ILE CA  CB   sing N N 156 
ILE CA  HA   sing N N 157 
ILE C   O    doub N N 158 
ILE C   OXT  sing N N 159 
ILE CB  CG1  sing N N 160 
ILE CB  CG2  sing N N 161 
ILE CB  HB   sing N N 162 
ILE CG1 CD1  sing N N 163 
ILE CG1 HG12 sing N N 164 
ILE CG1 HG13 sing N N 165 
ILE CG2 HG21 sing N N 166 
ILE CG2 HG22 sing N N 167 
ILE CG2 HG23 sing N N 168 
ILE CD1 HD11 sing N N 169 
ILE CD1 HD12 sing N N 170 
ILE CD1 HD13 sing N N 171 
ILE OXT HXT  sing N N 172 
LEU N   CA   sing N N 173 
LEU N   H    sing N N 174 
LEU N   H2   sing N N 175 
LEU CA  C    sing N N 176 
LEU CA  CB   sing N N 177 
LEU CA  HA   sing N N 178 
LEU C   O    doub N N 179 
LEU C   OXT  sing N N 180 
LEU CB  CG   sing N N 181 
LEU CB  HB2  sing N N 182 
LEU CB  HB3  sing N N 183 
LEU CG  CD1  sing N N 184 
LEU CG  CD2  sing N N 185 
LEU CG  HG   sing N N 186 
LEU CD1 HD11 sing N N 187 
LEU CD1 HD12 sing N N 188 
LEU CD1 HD13 sing N N 189 
LEU CD2 HD21 sing N N 190 
LEU CD2 HD22 sing N N 191 
LEU CD2 HD23 sing N N 192 
LEU OXT HXT  sing N N 193 
LYS N   CA   sing N N 194 
LYS N   H    sing N N 195 
LYS N   H2   sing N N 196 
LYS CA  C    sing N N 197 
LYS CA  CB   sing N N 198 
LYS CA  HA   sing N N 199 
LYS C   O    doub N N 200 
LYS C   OXT  sing N N 201 
LYS CB  CG   sing N N 202 
LYS CB  HB2  sing N N 203 
LYS CB  HB3  sing N N 204 
LYS CG  CD   sing N N 205 
LYS CG  HG2  sing N N 206 
LYS CG  HG3  sing N N 207 
LYS CD  CE   sing N N 208 
LYS CD  HD2  sing N N 209 
LYS CD  HD3  sing N N 210 
LYS CE  NZ   sing N N 211 
LYS CE  HE2  sing N N 212 
LYS CE  HE3  sing N N 213 
LYS NZ  HZ1  sing N N 214 
LYS NZ  HZ2  sing N N 215 
LYS NZ  HZ3  sing N N 216 
LYS OXT HXT  sing N N 217 
MET N   CA   sing N N 218 
MET N   H    sing N N 219 
MET N   H2   sing N N 220 
MET CA  C    sing N N 221 
MET CA  CB   sing N N 222 
MET CA  HA   sing N N 223 
MET C   O    doub N N 224 
MET C   OXT  sing N N 225 
MET CB  CG   sing N N 226 
MET CB  HB2  sing N N 227 
MET CB  HB3  sing N N 228 
MET CG  SD   sing N N 229 
MET CG  HG2  sing N N 230 
MET CG  HG3  sing N N 231 
MET SD  CE   sing N N 232 
MET CE  HE1  sing N N 233 
MET CE  HE2  sing N N 234 
MET CE  HE3  sing N N 235 
MET OXT HXT  sing N N 236 
PHE N   CA   sing N N 237 
PHE N   H    sing N N 238 
PHE N   H2   sing N N 239 
PHE CA  C    sing N N 240 
PHE CA  CB   sing N N 241 
PHE CA  HA   sing N N 242 
PHE C   O    doub N N 243 
PHE C   OXT  sing N N 244 
PHE CB  CG   sing N N 245 
PHE CB  HB2  sing N N 246 
PHE CB  HB3  sing N N 247 
PHE CG  CD1  doub Y N 248 
PHE CG  CD2  sing Y N 249 
PHE CD1 CE1  sing Y N 250 
PHE CD1 HD1  sing N N 251 
PHE CD2 CE2  doub Y N 252 
PHE CD2 HD2  sing N N 253 
PHE CE1 CZ   doub Y N 254 
PHE CE1 HE1  sing N N 255 
PHE CE2 CZ   sing Y N 256 
PHE CE2 HE2  sing N N 257 
PHE CZ  HZ   sing N N 258 
PHE OXT HXT  sing N N 259 
PRO N   CA   sing N N 260 
PRO N   CD   sing N N 261 
PRO N   H    sing N N 262 
PRO CA  C    sing N N 263 
PRO CA  CB   sing N N 264 
PRO CA  HA   sing N N 265 
PRO C   O    doub N N 266 
PRO C   OXT  sing N N 267 
PRO CB  CG   sing N N 268 
PRO CB  HB2  sing N N 269 
PRO CB  HB3  sing N N 270 
PRO CG  CD   sing N N 271 
PRO CG  HG2  sing N N 272 
PRO CG  HG3  sing N N 273 
PRO CD  HD2  sing N N 274 
PRO CD  HD3  sing N N 275 
PRO OXT HXT  sing N N 276 
SER N   CA   sing N N 277 
SER N   H    sing N N 278 
SER N   H2   sing N N 279 
SER CA  C    sing N N 280 
SER CA  CB   sing N N 281 
SER CA  HA   sing N N 282 
SER C   O    doub N N 283 
SER C   OXT  sing N N 284 
SER CB  OG   sing N N 285 
SER CB  HB2  sing N N 286 
SER CB  HB3  sing N N 287 
SER OG  HG   sing N N 288 
SER OXT HXT  sing N N 289 
THR N   CA   sing N N 290 
THR N   H    sing N N 291 
THR N   H2   sing N N 292 
THR CA  C    sing N N 293 
THR CA  CB   sing N N 294 
THR CA  HA   sing N N 295 
THR C   O    doub N N 296 
THR C   OXT  sing N N 297 
THR CB  OG1  sing N N 298 
THR CB  CG2  sing N N 299 
THR CB  HB   sing N N 300 
THR OG1 HG1  sing N N 301 
THR CG2 HG21 sing N N 302 
THR CG2 HG22 sing N N 303 
THR CG2 HG23 sing N N 304 
THR OXT HXT  sing N N 305 
TYR N   CA   sing N N 306 
TYR N   H    sing N N 307 
TYR N   H2   sing N N 308 
TYR CA  C    sing N N 309 
TYR CA  CB   sing N N 310 
TYR CA  HA   sing N N 311 
TYR C   O    doub N N 312 
TYR C   OXT  sing N N 313 
TYR CB  CG   sing N N 314 
TYR CB  HB2  sing N N 315 
TYR CB  HB3  sing N N 316 
TYR CG  CD1  doub Y N 317 
TYR CG  CD2  sing Y N 318 
TYR CD1 CE1  sing Y N 319 
TYR CD1 HD1  sing N N 320 
TYR CD2 CE2  doub Y N 321 
TYR CD2 HD2  sing N N 322 
TYR CE1 CZ   doub Y N 323 
TYR CE1 HE1  sing N N 324 
TYR CE2 CZ   sing Y N 325 
TYR CE2 HE2  sing N N 326 
TYR CZ  OH   sing N N 327 
TYR OH  HH   sing N N 328 
TYR OXT HXT  sing N N 329 
VAL N   CA   sing N N 330 
VAL N   H    sing N N 331 
VAL N   H2   sing N N 332 
VAL CA  C    sing N N 333 
VAL CA  CB   sing N N 334 
VAL CA  HA   sing N N 335 
VAL C   O    doub N N 336 
VAL C   OXT  sing N N 337 
VAL CB  CG1  sing N N 338 
VAL CB  CG2  sing N N 339 
VAL CB  HB   sing N N 340 
VAL CG1 HG11 sing N N 341 
VAL CG1 HG12 sing N N 342 
VAL CG1 HG13 sing N N 343 
VAL CG2 HG21 sing N N 344 
VAL CG2 HG22 sing N N 345 
VAL CG2 HG23 sing N N 346 
VAL OXT HXT  sing N N 347 
# 
_pdbx_audit_support.funding_organization   
'National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)' 
_pdbx_audit_support.country                'United States' 
_pdbx_audit_support.grant_number           ? 
_pdbx_audit_support.ordinal                1 
# 
_pdbx_initial_refinement_model.id               1 
_pdbx_initial_refinement_model.entity_id_list   ? 
_pdbx_initial_refinement_model.type             'experimental model' 
_pdbx_initial_refinement_model.source_name      PDB 
_pdbx_initial_refinement_model.accession_code   2v6y 
_pdbx_initial_refinement_model.details          'Vps4 MIT Domain' 
# 
_space_group.name_H-M_alt     'P 21 21 21' 
_space_group.name_Hall        'P 2ac 2ab' 
_space_group.IT_number        19 
_space_group.crystal_system   orthorhombic 
_space_group.id               1 
# 
_atom_sites.entry_id                    9BL8 
_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]   0.048312 
_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]   0.023289 
_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]   0.010367 
_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.
;
? 
CL ? ? 9.50761 7.44341 ? ? 1.04373  23.83732 ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
H  ? ? 0.51345 0.48472 ? ? 24.73122 6.32584  ? ? 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.
;
? 
S  ? ? 9.55732 6.39887 ? ? 1.23737  29.19336 ? ? 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    . GLY A 1 1  ? -20.94734 -7.45616  -2.12990  1.000 29.15108 ? 1   GLY A N    1 
ATOM   2    C  CA   . GLY A 1 1  ? -21.01281 -6.89243  -3.46326  1.000 28.79847 ? 1   GLY A CA   1 
ATOM   3    C  C    . GLY A 1 1  ? -19.64391 -6.58812  -4.04029  1.000 23.98873 ? 1   GLY A C    1 
ATOM   4    O  O    . GLY A 1 1  ? -18.62441 -6.87042  -3.41594  1.000 24.85151 ? 1   GLY A O    1 
ATOM   5    N  N    . MET A 1 2  ? -19.63684 -5.98789  -5.22919  1.000 19.04859 ? 2   MET A N    1 
ATOM   6    C  CA   A MET A 1 2  ? -18.38940 -5.72180  -5.92561  0.699 16.85582 ? 2   MET A CA   1 
ATOM   7    C  CA   B MET A 1 2  ? -18.39339 -5.71884  -5.93439  0.301 17.37937 ? 2   MET A CA   1 
ATOM   8    C  C    . MET A 1 2  ? -17.61040 -4.61058  -5.24300  1.000 14.95228 ? 2   MET A C    1 
ATOM   9    O  O    . MET A 1 2  ? -18.15651 -3.54216  -4.93989  1.000 16.62561 ? 2   MET A O    1 
ATOM   10   C  CB   A MET A 1 2  ? -18.67409 -5.31907  -7.36939  0.699 17.50466 ? 2   MET A CB   1 
ATOM   11   C  CB   B MET A 1 2  ? -18.70172 -5.27647  -7.37028  0.301 18.54690 ? 2   MET A CB   1 
ATOM   12   C  CG   A MET A 1 2  ? -18.98678 -6.50398  -8.24140  0.699 18.04234 ? 2   MET A CG   1 
ATOM   13   C  CG   B MET A 1 2  ? -19.38965 -6.31344  -8.24161  0.301 19.80380 ? 2   MET A CG   1 
ATOM   14   S  SD   A MET A 1 2  ? -19.51383 -5.99804  -9.87236  0.699 20.20257 ? 2   MET A SD   1 
ATOM   15   S  SD   B MET A 1 2  ? -18.25443 -7.19115  -9.33368  0.301 21.41325 ? 2   MET A SD   1 
ATOM   16   C  CE   A MET A 1 2  ? -17.98651 -5.34644  -10.55163 0.699 20.21562 ? 2   MET A CE   1 
ATOM   17   C  CE   B MET A 1 2  ? -17.70834 -5.89059  -10.43730 0.301 21.08744 ? 2   MET A CE   1 
ATOM   18   H  H    . MET A 1 2  ? -20.33924 -5.72648  -5.65097  1.000 22.85528 ? 2   MET A H    1 
ATOM   19   H  HA   . MET A 1 2  ? -17.85833 -6.53348  -5.91987  1.000 20.85222 ? 2   MET A HA   1 
ATOM   20   H  HB2  A MET A 1 2  ? -19.43731 -4.72067  -7.38739  0.699 21.00257 ? 2   MET A HB2  1 
ATOM   21   H  HB2  B MET A 1 2  ? -19.28255 -4.50053  -7.33216  0.301 22.25325 ? 2   MET A HB2  1 
ATOM   22   H  HB3  A MET A 1 2  ? -17.89392 -4.87277  -7.73415  0.699 21.00257 ? 2   MET A HB3  1 
ATOM   23   H  HB3  B MET A 1 2  ? -17.86571 -5.04411  -7.80387  0.301 22.25325 ? 2   MET A HB3  1 
ATOM   24   H  HG2  A MET A 1 2  ? -18.19216 -7.05251  -8.33409  0.699 21.64778 ? 2   MET A HG2  1 
ATOM   25   H  HG2  B MET A 1 2  ? -19.81971 -6.96868  -7.67010  0.301 23.76153 ? 2   MET A HG2  1 
ATOM   26   H  HG3  A MET A 1 2  ? -19.70108 -7.02048  -7.83654  0.699 21.64778 ? 2   MET A HG3  1 
ATOM   27   H  HG3  B MET A 1 2  ? -20.05185 -5.86991  -8.79448  0.301 23.76153 ? 2   MET A HG3  1 
ATOM   28   H  HE1  A MET A 1 2  ? -18.17599 -4.91849  -11.40125 0.699 24.25572 ? 2   MET A HE1  1 
ATOM   29   H  HE1  B MET A 1 2  ? -17.01094 -6.23855  -11.01476 0.301 25.30190 ? 2   MET A HE1  1 
ATOM   30   H  HE2  A MET A 1 2  ? -17.61541 -4.69985  -9.93106  0.699 24.25572 ? 2   MET A HE2  1 
ATOM   31   H  HE2  B MET A 1 2  ? -18.46144 -5.59231  -10.97094 0.301 25.30190 ? 2   MET A HE2  1 
ATOM   32   H  HE3  A MET A 1 2  ? -17.36158 -6.07689  -10.68128 0.699 24.25572 ? 2   MET A HE3  1 
ATOM   33   H  HE3  B MET A 1 2  ? -17.36377 -5.15294  -9.91001  0.301 25.30190 ? 2   MET A HE3  1 
ATOM   34   N  N    . SER A 1 3  ? -16.32861 -4.86930  -5.00926  1.000 13.41056 ? 3   SER A N    1 
ATOM   35   C  CA   . SER A 1 3  ? -15.39275 -3.87671  -4.52219  1.000 11.18875 ? 3   SER A CA   1 
ATOM   36   C  C    . SER A 1 3  ? -14.89098 -3.01870  -5.68728  1.000 11.30214 ? 3   SER A C    1 
ATOM   37   O  O    . SER A 1 3  ? -15.10201 -3.32602  -6.86791  1.000 10.93222 ? 3   SER A O    1 
ATOM   38   C  CB   . SER A 1 3  ? -14.19394 -4.58431  -3.88937  1.000 11.28187 ? 3   SER A CB   1 
ATOM   39   O  OG   . SER A 1 3  ? -13.46713 -5.27070  -4.89291  1.000 12.56339 ? 3   SER A OG   1 
ATOM   40   H  H    . SER A 1 3  ? -15.96768 -5.64043  -5.13046  1.000 16.08965 ? 3   SER A H    1 
ATOM   41   H  HA   . SER A 1 3  ? -15.82846 -3.30951  -3.86694  1.000 13.42347 ? 3   SER A HA   1 
ATOM   42   H  HB2  . SER A 1 3  ? -13.61814 -3.92676  -3.46868  1.000 13.53522 ? 3   SER A HB2  1 
ATOM   43   H  HB3  . SER A 1 3  ? -14.50872 -5.22083  -3.22857  1.000 13.53522 ? 3   SER A HB3  1 
ATOM   44   H  HG   . SER A 1 3  ? -12.82671 -5.69043  -4.54753  0.000 15.07303 ? 3   SER A HG   1 
ATOM   45   N  N    . THR A 1 4  ? -14.20623 -1.92675  -5.34226  1.000 10.78023 ? 4   THR A N    1 
ATOM   46   C  CA   . THR A 1 4  ? -13.50951 -1.14725  -6.36401  1.000 8.93297  ? 4   THR A CA   1 
ATOM   47   C  C    . THR A 1 4  ? -12.59585 -2.04031  -7.18371  1.000 9.27327  ? 4   THR A C    1 
ATOM   48   O  O    . THR A 1 4  ? -12.59494 -1.98272  -8.42198  1.000 10.26190 ? 4   THR A O    1 
ATOM   49   C  CB   . THR A 1 4  ? -12.73483 -0.00660  -5.71197  1.000 10.21561 ? 4   THR A CB   1 
ATOM   50   O  OG1  . THR A 1 4  ? -13.68008 0.87245   -5.09085  1.000 9.79124  ? 4   THR A OG1  1 
ATOM   51   C  CG2  . THR A 1 4  ? -11.89224 0.75741   -6.72581  1.000 10.32765 ? 4   THR A CG2  1 
ATOM   52   H  H    . THR A 1 4  ? -14.13123 -1.62281  -4.54126  1.000 12.93325 ? 4   THR A H    1 
ATOM   53   H  HA   . THR A 1 4  ? -14.15784 -0.74894  -6.96561  1.000 10.71654 ? 4   THR A HA   1 
ATOM   54   H  HB   . THR A 1 4  ? -12.11690 -0.35927  -5.05266  1.000 12.25570 ? 4   THR A HB   1 
ATOM   55   H  HG1  . THR A 1 4  ? -13.27808 1.50572   -4.71273  0.000 11.74646 ? 4   THR A HG1  1 
ATOM   56   H  HG21 . THR A 1 4  ? -11.15096 0.20696   -7.02313  1.000 12.39015 ? 4   THR A HG21 1 
ATOM   57   H  HG22 . THR A 1 4  ? -11.54138 1.56694   -6.32275  1.000 12.39015 ? 4   THR A HG22 1 
ATOM   58   H  HG23 . THR A 1 4  ? -12.43400 0.99739   -7.49380  1.000 12.39015 ? 4   THR A HG23 1 
ATOM   59   N  N    . GLY A 1 5  ? -11.81992 -2.88305  -6.50111  1.000 9.60166  ? 5   GLY A N    1 
ATOM   60   C  CA   . GLY A 1 5  ? -10.92974 -3.80315  -7.19043  1.000 10.83920 ? 5   GLY A CA   1 
ATOM   61   C  C    . GLY A 1 5  ? -11.65868 -4.70647  -8.16055  1.000 11.00630 ? 5   GLY A C    1 
ATOM   62   O  O    . GLY A 1 5  ? -11.14307 -5.00591  -9.23632  1.000 9.97578  ? 5   GLY A O    1 
ATOM   63   H  H    . GLY A 1 5  ? -11.79229 -2.93950  -5.64341  1.000 11.51897 ? 5   GLY A H    1 
ATOM   64   H  HA2  . GLY A 1 5  ? -10.26747 -3.29626  -7.68578  1.000 13.00401 ? 5   GLY A HA2  1 
ATOM   65   H  HA3  . GLY A 1 5  ? -10.47766 -4.35997  -6.53738  1.000 13.00401 ? 5   GLY A HA3  1 
ATOM   66   N  N    . ASP A 1 6  ? -12.87036 -5.14221  -7.79945  1.000 10.69691 ? 6   ASP A N    1 
ATOM   67   C  CA   . ASP A 1 6  ? -13.65225 -5.97754  -8.70776  1.000 10.63516 ? 6   ASP A CA   1 
ATOM   68   C  C    . ASP A 1 6  ? -14.04494 -5.21408  -9.97835  1.000 10.68562 ? 6   ASP A C    1 
ATOM   69   O  O    . ASP A 1 6  ? -14.04343 -5.78807  -11.07953 1.000 11.41822 ? 6   ASP A O    1 
ATOM   70   C  CB   . ASP A 1 6  ? -14.90091 -6.51500  -7.99986  1.000 13.26268 ? 6   ASP A CB   1 
ATOM   71   C  CG   . ASP A 1 6  ? -14.58865 -7.48683  -6.87149  1.000 15.66027 ? 6   ASP A CG   1 
ATOM   72   O  OD1  . ASP A 1 6  ? -13.53644 -8.15206  -6.90542  1.000 16.47255 ? 6   ASP A OD1  1 
ATOM   73   O  OD2  . ASP A 1 6  ? -15.43053 -7.59517  -5.94841  1.000 15.48243 ? 6   ASP A OD2  1 
ATOM   74   H  H    . ASP A 1 6  ? -13.25315 -4.97071  -7.04867  1.000 12.83326 ? 6   ASP A H    1 
ATOM   75   H  HA   . ASP A 1 6  ? -13.10628 -6.73560  -8.96883  1.000 12.75917 ? 6   ASP A HA   1 
ATOM   76   H  HB2  . ASP A 1 6  ? -15.39182 -5.76890  -7.62140  1.000 15.91219 ? 6   ASP A HB2  1 
ATOM   77   H  HB3  . ASP A 1 6  ? -15.45240 -6.98039  -8.64806  1.000 15.91219 ? 6   ASP A HB3  1 
ATOM   78   N  N    . PHE A 1 7  ? -14.40926 -3.92745  -9.85045  1.000 11.24474 ? 7   PHE A N    1 
ATOM   79   C  CA   . PHE A 1 7  ? -14.70348 -3.12533  -11.04058 1.000 10.71163 ? 7   PHE A CA   1 
ATOM   80   C  C    . PHE A 1 7  ? -13.45413 -2.97958  -11.91050 1.000 9.60988  ? 7   PHE A C    1 
ATOM   81   O  O    . PHE A 1 7  ? -13.51895 -3.09033  -13.14559 1.000 11.01925 ? 7   PHE A O    1 
ATOM   82   C  CB   . PHE A 1 7  ? -15.25447 -1.74968  -10.65689 1.000 10.95480 ? 7   PHE A CB   1 
ATOM   83   C  CG   . PHE A 1 7  ? -16.67885 -1.77407  -10.14227 1.000 12.09031 ? 7   PHE A CG   1 
ATOM   84   C  CD1  . PHE A 1 7  ? -17.74776 -1.85763  -11.02385 1.000 16.31134 ? 7   PHE A CD1  1 
ATOM   85   C  CD2  . PHE A 1 7  ? -16.95193 -1.68683  -8.79136  1.000 12.37274 ? 7   PHE A CD2  1 
ATOM   86   C  CE1  . PHE A 1 7  ? -19.05292 -1.87224  -10.56290 1.000 17.32118 ? 7   PHE A CE1  1 
ATOM   87   C  CE2  . PHE A 1 7  ? -18.26224 -1.69777  -8.33432  1.000 13.62863 ? 7   PHE A CE2  1 
ATOM   88   C  CZ   . PHE A 1 7  ? -19.30336 -1.79852  -9.21694  1.000 17.05093 ? 7   PHE A CZ   1 
ATOM   89   H  H    . PHE A 1 7  ? -14.49060 -3.50866  -9.10372  1.000 13.49066 ? 7   PHE A H    1 
ATOM   90   H  HA   . PHE A 1 7  ? -15.39338 -3.57502  -11.55314 1.000 12.85092 ? 7   PHE A HA   1 
ATOM   91   H  HB2  . PHE A 1 7  ? -14.69542 -1.37531  -9.95817  1.000 13.14273 ? 7   PHE A HB2  1 
ATOM   92   H  HB3  . PHE A 1 7  ? -15.23421 -1.17778  -11.44009 1.000 13.14273 ? 7   PHE A HB3  1 
ATOM   93   H  HD1  . PHE A 1 7  ? -17.58455 -1.90453  -11.93821 1.000 19.57058 ? 7   PHE A HD1  1 
ATOM   94   H  HD2  . PHE A 1 7  ? -16.25187 -1.62019  -8.18279  1.000 14.84426 ? 7   PHE A HD2  1 
ATOM   95   H  HE1  . PHE A 1 7  ? -19.75890 -1.93196  -11.16534 1.000 20.78239 ? 7   PHE A HE1  1 
ATOM   96   H  HE2  . PHE A 1 7  ? -18.43397 -1.63625  -7.42239  1.000 16.35133 ? 7   PHE A HE2  1 
ATOM   97   H  HZ   . PHE A 1 7  ? -20.17905 -1.81695  -8.90430  1.000 20.45809 ? 7   PHE A HZ   1 
ATOM   98   N  N    . CYS A 1 8  ? -12.31250 -2.69705  -11.27960 1.000 9.34844  ? 8   CYS A N    1 
ATOM   99   C  CA   A CYS A 1 8  ? -11.05551 -2.60821  -12.01485 0.083 9.88714  ? 8   CYS A CA   1 
ATOM   100  C  CA   B CYS A 1 8  ? -11.05991 -2.59549  -12.01627 0.917 10.46381 ? 8   CYS A CA   1 
ATOM   101  C  C    . CYS A 1 8  ? -10.78447 -3.89068  -12.78320 1.000 9.76375  ? 8   CYS A C    1 
ATOM   102  O  O    . CYS A 1 8  ? -10.43529 -3.86532  -13.96777 1.000 10.66873 ? 8   CYS A O    1 
ATOM   103  C  CB   A CYS A 1 8  ? -9.90202  -2.35824  -11.04803 0.083 9.92993  ? 8   CYS A CB   1 
ATOM   104  C  CB   B CYS A 1 8  ? -9.91226  -2.29076  -11.05505 0.917 9.87295  ? 8   CYS A CB   1 
ATOM   105  S  SG   A CYS A 1 8  ? -8.30562  -2.18322  -11.88117 0.083 9.88970  ? 8   CYS A SG   1 
ATOM   106  S  SG   B CYS A 1 8  ? -10.04856 -0.71866  -10.08460 0.917 11.69189 ? 8   CYS A SG   1 
ATOM   107  H  H    . CYS A 1 8  ? -12.23652 -2.56100  -10.43384 1.000 11.21510 ? 8   CYS A H    1 
ATOM   108  H  HA   . CYS A 1 8  ? -11.11820 -1.86691  -12.63730 1.000 12.55354 ? 8   CYS A HA   1 
ATOM   109  H  HB2  A CYS A 1 8  ? -10.07482 -1.53965  -10.55716 0.083 11.91288 ? 8   CYS A HB2  1 
ATOM   110  H  HB2  B CYS A 1 8  ? -9.85419  -3.01704  -10.41470 0.917 11.84452 ? 8   CYS A HB2  1 
ATOM   111  H  HB3  A CYS A 1 8  ? -9.83870  -3.10632  -10.43381 0.083 11.91288 ? 8   CYS A HB3  1 
ATOM   112  H  HB3  B CYS A 1 8  ? -9.09269  -2.23716  -11.57112 0.917 11.84452 ? 8   CYS A HB3  1 
ATOM   113  N  N    . THR A 1 9  ? -10.92516 -5.03119  -12.11249 1.000 9.20627  ? 9   THR A N    1 
ATOM   114  C  CA   . THR A 1 9  ? -10.63959 -6.32066  -12.73911 1.000 9.82455  ? 9   THR A CA   1 
ATOM   115  C  C    . THR A 1 9  ? -11.55653 -6.58689  -13.92328 1.000 9.90722  ? 9   THR A C    1 
ATOM   116  O  O    . THR A 1 9  ? -11.10713 -7.09764  -14.95547 1.000 10.44237 ? 9   THR A O    1 
ATOM   117  C  CB   . THR A 1 9  ? -10.77321 -7.42657  -11.68512 1.000 11.35722 ? 9   THR A CB   1 
ATOM   118  O  OG1  . THR A 1 9  ? -9.75864  -7.22642  -10.68288 1.000 13.93785 ? 9   THR A OG1  1 
ATOM   119  C  CG2  . THR A 1 9  ? -10.65177 -8.81209  -12.30991 1.000 13.59915 ? 9   THR A CG2  1 
ATOM   120  H  H    . THR A 1 9  ? -11.18409 -5.08801  -11.29436 1.000 11.04450 ? 9   THR A H    1 
ATOM   121  H  HA   . THR A 1 9  ? -9.73044  -6.31902  -13.07725 1.000 11.78643 ? 9   THR A HA   1 
ATOM   122  H  HB   . THR A 1 9  ? -11.65021 -7.38963  -11.27231 1.000 13.62564 ? 9   THR A HB   1 
ATOM   123  H  HG1  . THR A 1 9  ? -9.79697  -7.83864  -10.10901 0.000 16.72239 ? 9   THR A HG1  1 
ATOM   124  H  HG21 . THR A 1 9  ? -11.47149 -9.03866  -12.77641 1.000 16.31595 ? 9   THR A HG21 1 
ATOM   125  H  HG22 . THR A 1 9  ? -10.48900 -9.47408  -11.61986 1.000 16.31595 ? 9   THR A HG22 1 
ATOM   126  H  HG23 . THR A 1 9  ? -9.91556  -8.82794  -12.94128 1.000 16.31595 ? 9   THR A HG23 1 
ATOM   127  N  N    . LYS A 1 10 ? -12.84014 -6.24650  -13.80935 1.000 10.91508 ? 10  LYS A N    1 
ATOM   128  C  CA   A LYS A 1 10 ? -13.73700 -6.43838  -14.94371 0.460 10.88607 ? 10  LYS A CA   1 
ATOM   129  C  CA   B LYS A 1 10 ? -13.73295 -6.44029  -14.94263 0.540 9.83990  ? 10  LYS A CA   1 
ATOM   130  C  C    . LYS A 1 10 ? -13.27861 -5.60156  -16.12986 1.000 9.15738  ? 10  LYS A C    1 
ATOM   131  O  O    . LYS A 1 10 ? -13.34136 -6.04848  -17.28300 1.000 10.18997 ? 10  LYS A O    1 
ATOM   132  C  CB   A LYS A 1 10 ? -15.17645 -6.09124  -14.56119 0.460 13.41318 ? 10  LYS A CB   1 
ATOM   133  C  CB   B LYS A 1 10 ? -15.16051 -6.09696  -14.53870 0.540 11.24123 ? 10  LYS A CB   1 
ATOM   134  C  CG   A LYS A 1 10 ? -15.90461 -7.16668  -13.76056 0.460 15.67632 ? 10  LYS A CG   1 
ATOM   135  C  CG   B LYS A 1 10 ? -16.16858 -6.30851  -15.63872 0.540 13.01546 ? 10  LYS A CG   1 
ATOM   136  C  CD   A LYS A 1 10 ? -17.41829 -6.92085  -13.70831 0.460 17.29754 ? 10  LYS A CD   1 
ATOM   137  C  CD   B LYS A 1 10 ? -16.26441 -7.75257  -16.07333 0.540 16.25680 ? 10  LYS A CD   1 
ATOM   138  C  CE   A LYS A 1 10 ? -18.14297 -8.04235  -12.95963 0.460 17.53820 ? 10  LYS A CE   1 
ATOM   139  C  CE   B LYS A 1 10 ? -17.39888 -7.90845  -17.07477 0.540 19.39647 ? 10  LYS A CE   1 
ATOM   140  N  NZ   A LYS A 1 10 ? -19.62783 -7.93150  -13.05005 0.460 20.77318 ? 10  LYS A NZ   1 
ATOM   141  N  NZ   B LYS A 1 10 ? -17.50908 -9.29621  -17.57565 0.540 21.30155 ? 10  LYS A NZ   1 
ATOM   142  H  H    . LYS A 1 10 ? -13.20917 -5.91142  -13.10854 1.000 13.09507 ? 10  LYS A H    1 
ATOM   143  H  HA   . LYS A 1 10 ? -13.72621 -7.37409  -15.19911 1.000 11.80485 ? 10  LYS A HA   1 
ATOM   144  H  HB2  A LYS A 1 10 ? -15.16550 -5.28443  -14.02281 0.460 16.09279 ? 10  LYS A HB2  1 
ATOM   145  H  HB2  B LYS A 1 10 ? -15.41652 -6.65815  -13.79008 0.540 13.48645 ? 10  LYS A HB2  1 
ATOM   146  H  HB3  A LYS A 1 10 ? -15.68293 -5.94045  -15.37460 0.460 16.09279 ? 10  LYS A HB3  1 
ATOM   147  H  HB3  B LYS A 1 10 ? -15.19554 -5.16270  -14.28019 0.540 13.48645 ? 10  LYS A HB3  1 
ATOM   148  H  HG2  A LYS A 1 10 ? -15.75263 -8.03059  -14.17464 0.460 18.80856 ? 10  LYS A HG2  1 
ATOM   149  H  HG2  B LYS A 1 10 ? -17.04335 -6.03166  -15.32400 0.540 15.61552 ? 10  LYS A HG2  1 
ATOM   150  H  HG3  A LYS A 1 10 ? -15.56731 -7.17075  -12.85111 0.460 18.80856 ? 10  LYS A HG3  1 
ATOM   151  H  HG3  B LYS A 1 10 ? -15.91095 -5.77992  -16.41016 0.540 15.61552 ? 10  LYS A HG3  1 
ATOM   152  H  HD2  A LYS A 1 10 ? -17.59240 -6.08492  -13.24809 0.460 20.75402 ? 10  LYS A HD2  1 
ATOM   153  H  HD2  B LYS A 1 10 ? -15.43456 -8.02454  -16.49555 0.540 19.50513 ? 10  LYS A HD2  1 
ATOM   154  H  HD3  A LYS A 1 10 ? -17.76882 -6.88137  -14.61190 0.460 20.75402 ? 10  LYS A HD3  1 
ATOM   155  H  HD3  B LYS A 1 10 ? -16.44574 -8.31583  -15.30472 0.540 19.50513 ? 10  LYS A HD3  1 
ATOM   156  H  HE2  A LYS A 1 10 ? -17.88253 -8.89598  -13.33962 0.460 21.04281 ? 10  LYS A HE2  1 
ATOM   157  H  HE2  B LYS A 1 10 ? -18.23703 -7.67338  -16.64682 0.540 23.27274 ? 10  LYS A HE2  1 
ATOM   158  H  HE3  A LYS A 1 10 ? -17.89643 -8.00747  -12.02213 0.460 21.04281 ? 10  LYS A HE3  1 
ATOM   159  H  HE3  B LYS A 1 10 ? -17.23817 -7.32472  -17.83262 0.540 23.27274 ? 10  LYS A HE3  1 
ATOM   160  H  HZ1  A LYS A 1 10 ? -19.90000 -7.17288  -12.67254 0.460 24.92478 ? 10  LYS A HZ1  1 
ATOM   161  H  HZ1  B LYS A 1 10 ? -16.76837 -9.52102  -18.01486 0.540 25.55883 ? 10  LYS A HZ1  1 
ATOM   162  H  HZ2  A LYS A 1 10 ? -20.01036 -8.61660  -12.63004 0.460 24.92478 ? 10  LYS A HZ2  1 
ATOM   163  H  HZ2  B LYS A 1 10 ? -18.20432 -9.36659  -18.12681 0.540 25.55883 ? 10  LYS A HZ2  1 
ATOM   164  H  HZ3  A LYS A 1 10 ? -19.88212 -7.93717  -13.90293 0.460 24.92478 ? 10  LYS A HZ3  1 
ATOM   165  H  HZ3  B LYS A 1 10 ? -17.62256 -9.85759  -16.89441 0.540 25.55883 ? 10  LYS A HZ3  1 
ATOM   166  N  N    . GLY A 1 11 ? -12.81922 -4.37541  -15.87309 1.000 8.73160  ? 11  GLY A N    1 
ATOM   167  C  CA   . GLY A 1 11 ? -12.31516 -3.55642  -16.95799 1.000 8.86573  ? 11  GLY A CA   1 
ATOM   168  C  C    . GLY A 1 11 ? -11.07972 -4.14336  -17.61023 1.000 8.25719  ? 11  GLY A C    1 
ATOM   169  O  O    . GLY A 1 11 ? -10.96109 -4.14083  -18.84314 1.000 9.51933  ? 11  GLY A O    1 
ATOM   170  H  H    . GLY A 1 11 ? -12.79143 -4.00790  -15.09606 1.000 10.47490 ? 11  GLY A H    1 
ATOM   171  H  HA2  . GLY A 1 11 ? -13.00294 -3.46546  -17.63592 1.000 10.63585 ? 11  GLY A HA2  1 
ATOM   172  H  HA3  . GLY A 1 11 ? -12.09008 -2.67687  -16.61647 1.000 10.63585 ? 11  GLY A HA3  1 
ATOM   173  N  N    . ILE A 1 12 ? -10.14740 -4.64931  -16.79416 1.000 9.36962  ? 12  ILE A N    1 
ATOM   174  C  CA   . ILE A 1 12 ? -8.94550  -5.28858  -17.31786 1.000 9.57176  ? 12  ILE A CA   1 
ATOM   175  C  C    . ILE A 1 12 ? -9.32222  -6.48281  -18.17664 1.000 8.39678  ? 12  ILE A C    1 
ATOM   176  O  O    . ILE A 1 12 ? -8.78960  -6.65444  -19.28187 1.000 9.42179  ? 12  ILE A O    1 
ATOM   177  C  CB   . ILE A 1 12 ? -7.98435  -5.65776  -16.16577 1.000 9.59028  ? 12  ILE A CB   1 
ATOM   178  C  CG1  . ILE A 1 12 ? -7.48934  -4.37323  -15.49329 1.000 12.28161 ? 12  ILE A CG1  1 
ATOM   179  C  CG2  . ILE A 1 12 ? -6.85245  -6.52001  -16.68161 1.000 11.29874 ? 12  ILE A CG2  1 
ATOM   180  C  CD1  . ILE A 1 12 ? -6.86820  -4.59629  -14.12321 1.000 15.18124 ? 12  ILE A CD1  1 
ATOM   181  H  H    . ILE A 1 12 ? -10.19027 -4.63343  -15.93538 1.000 11.24052 ? 12  ILE A H    1 
ATOM   182  H  HA   . ILE A 1 12 ? -8.47412  -4.66026  -17.88699 1.000 11.48309 ? 12  ILE A HA   1 
ATOM   183  H  HB   . ILE A 1 12 ? -8.45166  -6.18209  -15.49674 1.000 11.50531 ? 12  ILE A HB   1 
ATOM   184  H  HG12 . ILE A 1 12 ? -6.81652  -3.96435  -16.05990 1.000 14.73490 ? 12  ILE A HG12 1 
ATOM   185  H  HG13 . ILE A 1 12 ? -8.24089  -3.77007  -15.38252 1.000 14.73490 ? 12  ILE A HG13 1 
ATOM   186  H  HG21 . ILE A 1 12 ? -7.21100  -7.37573  -16.96461 1.000 13.55546 ? 12  ILE A HG21 1 
ATOM   187  H  HG22 . ILE A 1 12 ? -6.20595  -6.65114  -15.97045 1.000 13.55546 ? 12  ILE A HG22 1 
ATOM   188  H  HG23 . ILE A 1 12 ? -6.43186  -6.07290  -17.43268 1.000 13.55546 ? 12  ILE A HG23 1 
ATOM   189  H  HD11 . ILE A 1 12 ? -7.53982  -4.96477  -13.52819 1.000 18.21446 ? 12  ILE A HD11 1 
ATOM   190  H  HD12 . ILE A 1 12 ? -6.55082  -3.74705  -13.77830 1.000 18.21446 ? 12  ILE A HD12 1 
ATOM   191  H  HD13 . ILE A 1 12 ? -6.12700  -5.21602  -14.20960 1.000 18.21446 ? 12  ILE A HD13 1 
ATOM   192  N  N    . GLU A 1 13 ? -10.26359 -7.30901  -17.69330 1.000 8.69149  ? 13  GLU A N    1 
ATOM   193  C  CA   . GLU A 1 13 ? -10.69543 -8.47833  -18.45902 1.000 8.84278  ? 13  GLU A CA   1 
ATOM   194  C  C    . GLU A 1 13 ? -11.31632 -8.09070  -19.79744 1.000 8.12274  ? 13  GLU A C    1 
ATOM   195  O  O    . GLU A 1 13 ? -11.02194 -8.71853  -20.82443 1.000 8.58433  ? 13  GLU A O    1 
ATOM   196  C  CB   . GLU A 1 13 ? -11.67595 -9.33131  -17.65004 1.000 9.79194  ? 13  GLU A CB   1 
ATOM   197  C  CG   . GLU A 1 13 ? -11.03478 -10.03309 -16.48231 1.000 11.79306 ? 13  GLU A CG   1 
ATOM   198  C  CD   . GLU A 1 13 ? -12.03070 -10.64950 -15.52864 1.000 16.42741 ? 13  GLU A CD   1 
ATOM   199  O  OE1  . GLU A 1 13 ? -13.24772 -10.45170 -15.72404 1.000 21.00201 ? 13  GLU A OE1  1 
ATOM   200  O  OE2  . GLU A 1 13 ? -11.59250 -11.31498 -14.57356 1.000 14.78189 ? 13  GLU A OE2  1 
ATOM   201  H  H    . GLU A 1 13 ? -10.65962 -7.21319  -16.93595 1.000 10.42676 ? 13  GLU A H    1 
ATOM   202  H  HA   . GLU A 1 13 ? -9.90766  -9.01531  -18.63780 1.000 10.60831 ? 13  GLU A HA   1 
ATOM   203  H  HB2  . GLU A 1 13 ? -12.37807 -8.75835  -17.30413 1.000 11.74729 ? 13  GLU A HB2  1 
ATOM   204  H  HB3  . GLU A 1 13 ? -12.05636 -10.00793 -18.23175 1.000 11.74729 ? 13  GLU A HB3  1 
ATOM   205  H  HG2  . GLU A 1 13 ? -10.46623 -10.74379 -16.81782 1.000 14.14865 ? 13  GLU A HG2  1 
ATOM   206  H  HG3  . GLU A 1 13 ? -10.50473 -9.39151  -15.98398 1.000 14.14865 ? 13  GLU A HG3  1 
ATOM   207  N  N    . LEU A 1 14 ? -12.15056 -7.04386  -19.81561 1.000 8.69865  ? 14  LEU A N    1 
ATOM   208  C  CA   . LEU A 1 14 ? -12.78233 -6.62517  -21.05377 1.000 8.18824  ? 14  LEU A CA   1 
ATOM   209  C  C    . LEU A 1 14 ? -11.75554 -6.06746  -22.02723 1.000 7.11625  ? 14  LEU A C    1 
ATOM   210  O  O    . LEU A 1 14 ? -11.85126 -6.30427  -23.23900 1.000 7.62946  ? 14  LEU A O    1 
ATOM   211  C  CB   . LEU A 1 14 ? -13.87654 -5.60013  -20.76424 1.000 8.57586  ? 14  LEU A CB   1 
ATOM   212  C  CG   . LEU A 1 14 ? -15.21332 -6.18743  -20.32808 1.000 10.14618 ? 14  LEU A CG   1 
ATOM   213  C  CD1  . LEU A 1 14 ? -16.08053 -5.12702  -19.69127 1.000 10.28824 ? 14  LEU A CD1  1 
ATOM   214  C  CD2  . LEU A 1 14 ? -15.93317 -6.81543  -21.52829 1.000 13.76209 ? 14  LEU A CD2  1 
ATOM   215  H  H    . LEU A 1 14 ? -12.36020 -6.56975  -19.12941 1.000 10.43535 ? 14  LEU A H    1 
ATOM   216  H  HA   . LEU A 1 14 ? -13.20325 -7.39302  -21.47106 1.000 9.82286  ? 14  LEU A HA   1 
ATOM   217  H  HB2  . LEU A 1 14 ? -13.56888 -5.01687  -20.05286 1.000 10.28800 ? 14  LEU A HB2  1 
ATOM   218  H  HB3  . LEU A 1 14 ? -14.03427 -5.08491  -21.57082 1.000 10.28800 ? 14  LEU A HB3  1 
ATOM   219  H  HG   . LEU A 1 14 ? -15.05369 -6.87997  -19.66792 1.000 12.17238 ? 14  LEU A HG   1 
ATOM   220  H  HD11 . LEU A 1 14 ? -15.65184 -4.81413  -18.87935 1.000 12.34286 ? 14  LEU A HD11 1 
ATOM   221  H  HD12 . LEU A 1 14 ? -16.94617 -5.51110  -19.48138 1.000 12.34286 ? 14  LEU A HD12 1 
ATOM   222  H  HD13 . LEU A 1 14 ? -16.18746 -4.39079  -20.31371 1.000 12.34286 ? 14  LEU A HD13 1 
ATOM   223  H  HD21 . LEU A 1 14 ? -16.10004 -6.12770  -22.19167 1.000 16.51148 ? 14  LEU A HD21 1 
ATOM   224  H  HD22 . LEU A 1 14 ? -16.77323 -7.19669  -21.22857 1.000 16.51148 ? 14  LEU A HD22 1 
ATOM   225  H  HD23 . LEU A 1 14 ? -15.37083 -7.50976  -21.90589 1.000 16.51148 ? 14  LEU A HD23 1 
ATOM   226  N  N    . VAL A 1 15 ? -10.77389 -5.31558  -21.52130 1.000 8.06348  ? 15  VAL A N    1 
ATOM   227  C  CA   . VAL A 1 15 ? -9.71410  -4.81366  -22.39238 1.000 9.57327  ? 15  VAL A CA   1 
ATOM   228  C  C    . VAL A 1 15 ? -8.87398  -5.96409  -22.94088 1.000 7.57084  ? 15  VAL A C    1 
ATOM   229  O  O    . VAL A 1 15 ? -8.47494  -5.95041  -24.10967 1.000 9.26756  ? 15  VAL A O    1 
ATOM   230  C  CB   . VAL A 1 15 ? -8.86404  -3.75641  -21.68265 1.000 11.24628 ? 15  VAL A CB   1 
ATOM   231  C  CG1  . VAL A 1 15 ? -7.63809  -3.38528  -22.52247 1.000 12.16910 ? 15  VAL A CG1  1 
ATOM   232  C  CG2  . VAL A 1 15 ? -9.70166  -2.51232  -21.39226 1.000 12.20096 ? 15  VAL A CG2  1 
ATOM   233  H  H    . VAL A 1 15 ? -10.70137 -5.08764  -20.69524 1.000 9.67315  ? 15  VAL A H    1 
ATOM   234  H  HA   . VAL A 1 15 ? -10.13422 -4.37339  -23.14774 1.000 11.48489 ? 15  VAL A HA   1 
ATOM   235  H  HB   . VAL A 1 15 ? -8.55116  -4.12486  -20.84167 1.000 13.49251 ? 15  VAL A HB   1 
ATOM   236  H  HG11 . VAL A 1 15 ? -7.02966  -4.14043  -22.54398 1.000 14.59989 ? 15  VAL A HG11 1 
ATOM   237  H  HG12 . VAL A 1 15 ? -7.20005  -2.61892  -22.12033 1.000 14.59989 ? 15  VAL A HG12 1 
ATOM   238  H  HG13 . VAL A 1 15 ? -7.92624  -3.16692  -23.42258 1.000 14.59989 ? 15  VAL A HG13 1 
ATOM   239  H  HG21 . VAL A 1 15 ? -10.15508 -2.24003  -22.20538 1.000 14.63812 ? 15  VAL A HG21 1 
ATOM   240  H  HG22 . VAL A 1 15 ? -9.11638  -1.80194  -21.08614 1.000 14.63812 ? 15  VAL A HG22 1 
ATOM   241  H  HG23 . VAL A 1 15 ? -10.35298 -2.72345  -20.70516 1.000 14.63812 ? 15  VAL A HG23 1 
ATOM   242  N  N    . GLN A 1 16 ? -8.61578  -6.98769  -22.12885 1.000 9.39111  ? 16  GLN A N    1 
ATOM   243  C  CA   . GLN A 1 16 ? -7.88589  -8.14166  -22.64200 1.000 9.60785  ? 16  GLN A CA   1 
ATOM   244  C  C    . GLN A 1 16 ? -8.67563  -8.83364  -23.74682 1.000 9.25622  ? 16  GLN A C    1 
ATOM   245  O  O    . GLN A 1 16 ? -8.10398  -9.25201  -24.75995 1.000 9.24578  ? 16  GLN A O    1 
ATOM   246  C  CB   . GLN A 1 16 ? -7.56745  -9.11788  -21.51736 1.000 11.65098 ? 16  GLN A CB   1 
ATOM   247  C  CG   . GLN A 1 16 ? -6.64392  -10.22810 -21.96447 1.000 15.30443 ? 16  GLN A CG   1 
ATOM   248  C  CD   . GLN A 1 16 ? -5.31263  -9.69763  -22.47765 1.000 18.70713 ? 16  GLN A CD   1 
ATOM   249  O  OE1  . GLN A 1 16 ? -4.93287  -9.92208  -23.63093 1.000 20.75448 ? 16  GLN A OE1  1 
ATOM   250  N  NE2  . GLN A 1 16 ? -4.61295  -8.95971  -21.62531 1.000 19.95994 ? 16  GLN A NE2  1 
ATOM   251  H  H    . GLN A 1 16 ? -8.84543  -7.03704  -21.30155 1.000 11.26630 ? 16  GLN A H    1 
ATOM   252  H  HA   . GLN A 1 16 ? -7.04191  -7.83796  -23.01127 1.000 11.52639 ? 16  GLN A HA   1 
ATOM   253  H  HB2  . GLN A 1 16 ? -7.13494  -8.63809  -20.79374 1.000 13.97815 ? 16  GLN A HB2  1 
ATOM   254  H  HB3  . GLN A 1 16 ? -8.39246  -9.51945  -21.20272 1.000 13.97815 ? 16  GLN A HB3  1 
ATOM   255  H  HG2  . GLN A 1 16 ? -6.46588  -10.81569 -21.21352 1.000 18.36228 ? 16  GLN A HG2  1 
ATOM   256  H  HG3  . GLN A 1 16 ? -7.06780  -10.72521 -22.68148 1.000 18.36228 ? 16  GLN A HG3  1 
ATOM   257  H  HE21 . GLN A 1 16 ? -4.91937  -8.80730  -20.83633 1.000 23.94890 ? 16  GLN A HE21 1 
ATOM   258  H  HE22 . GLN A 1 16 ? -3.85304  -8.63384  -21.86184 1.000 23.94890 ? 16  GLN A HE22 1 
ATOM   259  N  N    . LYS A 1 17 ? -9.99071  -8.96203  -23.57069 1.000 9.03531  ? 17  LYS A N    1 
ATOM   260  C  CA   . LYS A 1 17 ? -10.84086 -9.49347  -24.62996 1.000 9.16389  ? 17  LYS A CA   1 
ATOM   261  C  C    . LYS A 1 17 ? -10.70455 -8.66647  -25.89591 1.000 7.68047  ? 17  LYS A C    1 
ATOM   262  O  O    . LYS A 1 17 ? -10.54107 -9.21564  -26.99536 1.000 8.09144  ? 17  LYS A O    1 
ATOM   263  C  CB   . LYS A 1 17 ? -12.27561 -9.51030  -24.11350 1.000 9.39537  ? 17  LYS A CB   1 
ATOM   264  C  CG   . LYS A 1 17 ? -13.35346 -9.89072  -25.11850 1.000 10.51737 ? 17  LYS A CG   1 
ATOM   265  C  CD   . LYS A 1 17 ? -14.73618 -9.58413  -24.51096 1.000 13.74761 ? 17  LYS A CD   1 
ATOM   266  C  CE   . LYS A 1 17 ? -15.85529 -9.90690  -25.45973 1.000 15.61879 ? 17  LYS A CE   1 
ATOM   267  N  NZ   . LYS A 1 17 ? -17.16270 -9.56758  -24.82835 1.000 15.25268 ? 17  LYS A NZ   1 
ATOM   268  H  H    . LYS A 1 17 ? -10.41176 -8.74977  -22.85148 1.000 10.83934 ? 17  LYS A H    1 
ATOM   269  H  HA   . LYS A 1 17 ? -10.58261 -10.39994 -24.85911 1.000 10.99363 ? 17  LYS A HA   1 
ATOM   270  H  HB2  . LYS A 1 17 ? -12.32645 -10.14981 -23.38594 1.000 11.27142 ? 17  LYS A HB2  1 
ATOM   271  H  HB3  . LYS A 1 17 ? -12.48963 -8.62142  -23.78947 1.000 11.27142 ? 17  LYS A HB3  1 
ATOM   272  H  HG2  . LYS A 1 17 ? -13.24470 -9.37357  -25.93190 1.000 12.61781 ? 17  LYS A HG2  1 
ATOM   273  H  HG3  . LYS A 1 17 ? -13.29987 -10.83842 -25.31824 1.000 12.61781 ? 17  LYS A HG3  1 
ATOM   274  H  HD2  . LYS A 1 17 ? -14.85713 -10.11602 -23.70886 1.000 16.49410 ? 17  LYS A HD2  1 
ATOM   275  H  HD3  . LYS A 1 17 ? -14.78689 -8.64011  -24.29381 1.000 16.49410 ? 17  LYS A HD3  1 
ATOM   276  H  HE2  . LYS A 1 17 ? -15.75639 -9.38697  -26.27262 1.000 18.73952 ? 17  LYS A HE2  1 
ATOM   277  H  HE3  . LYS A 1 17 ? -15.84541 -10.85412 -25.66849 1.000 18.73952 ? 17  LYS A HE3  1 
ATOM   278  H  HZ1  . LYS A 1 17 ? -17.14692 -9.77804  -23.96373 1.000 18.30019 ? 17  LYS A HZ1  1 
ATOM   279  H  HZ2  . LYS A 1 17 ? -17.81855 -10.02081 -25.22401 1.000 18.30019 ? 17  LYS A HZ2  1 
ATOM   280  H  HZ3  . LYS A 1 17 ? -17.32338 -8.69608  -24.91060 1.000 18.30019 ? 17  LYS A HZ3  1 
ATOM   281  N  N    . ALA A 1 18 ? -10.75689 -7.33766  -25.74302 1.000 6.99775  ? 18  ALA A N    1 
ATOM   282  C  CA   . ALA A 1 18 ? -10.60836 -6.42481  -26.87572 1.000 7.50455  ? 18  ALA A CA   1 
ATOM   283  C  C    . ALA A 1 18 ? -9.26158  -6.60600  -27.57043 1.000 9.00152  ? 18  ALA A C    1 
ATOM   284  O  O    . ALA A 1 18 ? -9.19188  -6.67037  -28.80109 1.000 8.15443  ? 18  ALA A O    1 
ATOM   285  C  CB   . ALA A 1 18 ? -10.77649 -4.96521  -26.42576 1.000 7.06353  ? 18  ALA A CB   1 
ATOM   286  H  H    . ALA A 1 18 ? -10.87793 -6.93976  -24.99028 1.000 8.39427  ? 18  ALA A H    1 
ATOM   287  H  HA   . ALA A 1 18 ? -11.31164 -6.62816  -27.51207 1.000 9.00243  ? 18  ALA A HA   1 
ATOM   288  H  HB1  . ALA A 1 18 ? -10.80562 -4.39448  -27.20955 1.000 8.47321  ? 18  ALA A HB1  1 
ATOM   289  H  HB2  . ALA A 1 18 ? -11.60325 -4.88226  -25.92527 1.000 8.47321  ? 18  ALA A HB2  1 
ATOM   290  H  HB3  . ALA A 1 18 ? -10.02426 -4.71895  -25.86505 1.000 8.47321  ? 18  ALA A HB3  1 
ATOM   291  N  N    . ILE A 1 19 ? -8.17990  -6.66768  -26.79305 1.000 8.48807  ? 19  ILE A N    1 
ATOM   292  C  CA   . ILE A 1 19 ? -6.84652  -6.84869  -27.35962 1.000 9.09148  ? 19  ILE A CA   1 
ATOM   293  C  C    . ILE A 1 19 ? -6.79320  -8.13478  -28.18330 1.000 8.58872  ? 19  ILE A C    1 
ATOM   294  O  O    . ILE A 1 19 ? -6.27514  -8.15812  -29.30566 1.000 9.06965  ? 19  ILE A O    1 
ATOM   295  C  CB   . ILE A 1 19 ? -5.79007  -6.86376  -26.23783 1.000 9.41329  ? 19  ILE A CB   1 
ATOM   296  C  CG1  . ILE A 1 19 ? -5.62080  -5.48278  -25.59625 1.000 10.48779 ? 19  ILE A CG1  1 
ATOM   297  C  CG2  . ILE A 1 19 ? -4.44974  -7.37490  -26.78074 1.000 11.48214 ? 19  ILE A CG2  1 
ATOM   298  C  CD1  . ILE A 1 19 ? -4.83931  -5.52647  -24.31837 1.000 10.42936 ? 19  ILE A CD1  1 
ATOM   299  H  H    . ILE A 1 19 ? -8.19143  -6.60740  -25.93524 1.000 10.18265 ? 19  ILE A H    1 
ATOM   300  H  HA   . ILE A 1 19 ? -6.65636  -6.10099  -27.94757 1.000 10.90675 ? 19  ILE A HA   1 
ATOM   301  H  HB   . ILE A 1 19 ? -6.10502  -7.46693  -25.54653 1.000 11.29292 ? 19  ILE A HB   1 
ATOM   302  H  HG12 . ILE A 1 19 ? -5.15071  -4.90281  -26.21556 1.000 12.58232 ? 19  ILE A HG12 1 
ATOM   303  H  HG13 . ILE A 1 19 ? -6.49732  -5.11694  -25.39935 1.000 12.58232 ? 19  ILE A HG13 1 
ATOM   304  H  HG21 . ILE A 1 19 ? -4.53507  -8.31664  -26.99697 1.000 13.77554 ? 19  ILE A HG21 1 
ATOM   305  H  HG22 . ILE A 1 19 ? -3.76684  -7.25170  -26.10298 1.000 13.77554 ? 19  ILE A HG22 1 
ATOM   306  H  HG23 . ILE A 1 19 ? -4.21940  -6.87210  -27.57763 1.000 13.77554 ? 19  ILE A HG23 1 
ATOM   307  H  HD11 . ILE A 1 19 ? -5.21745  -6.20726  -23.74006 1.000 12.51220 ? 19  ILE A HD11 1 
ATOM   308  H  HD12 . ILE A 1 19 ? -4.89136  -4.65945  -23.88656 1.000 12.51220 ? 19  ILE A HD12 1 
ATOM   309  H  HD13 . ILE A 1 19 ? -3.91504  -5.74033  -24.52059 1.000 12.51220 ? 19  ILE A HD13 1 
ATOM   310  N  N    . ASP A 1 20 ? -7.34223  -9.21747  -27.64313 1.000 8.84150  ? 20  ASP A N    1 
ATOM   311  C  CA   . ASP A 1 20 ? -7.33853  -10.49258 -28.34571 1.000 8.80395  ? 20  ASP A CA   1 
ATOM   312  C  C    . ASP A 1 20 ? -8.14422  -10.40723 -29.63535 1.000 8.24320  ? 20  ASP A C    1 
ATOM   313  O  O    . ASP A 1 20 ? -7.70328  -10.88688 -30.68458 1.000 9.46459  ? 20  ASP A O    1 
ATOM   314  C  CB   . ASP A 1 20 ? -7.90381  -11.59265 -27.43966 1.000 9.57627  ? 20  ASP A CB   1 
ATOM   315  C  CG   . ASP A 1 20 ? -6.99172  -11.94299 -26.26701 1.000 11.60530 ? 20  ASP A CG   1 
ATOM   316  O  OD1  . ASP A 1 20 ? -5.84610  -11.45720 -26.20657 1.000 13.02502 ? 20  ASP A OD1  1 
ATOM   317  O  OD2  . ASP A 1 20 ? -7.44064  -12.72180 -25.39601 1.000 13.30230 ? 20  ASP A OD2  1 
ATOM   318  H  H    . ASP A 1 20 ? -7.72273  -9.24029  -26.87223 1.000 10.60677 ? 20  ASP A H    1 
ATOM   319  H  HA   . ASP A 1 20 ? -6.42301  -10.72147 -28.57004 1.000 10.56171 ? 20  ASP A HA   1 
ATOM   320  H  HB2  . ASP A 1 20 ? -8.75251  -11.29438 -27.07684 1.000 11.48849 ? 20  ASP A HB2  1 
ATOM   321  H  HB3  . ASP A 1 20 ? -8.03246  -12.39700 -27.96632 1.000 11.48849 ? 20  ASP A HB3  1 
ATOM   322  N  N    . LEU A 1 21 ? -9.35457  -9.83936  -29.56485 1.000 8.09372  ? 21  LEU A N    1 
ATOM   323  C  CA   . LEU A 1 21 ? -10.18049 -9.67810  -30.76389 1.000 8.33131  ? 21  LEU A CA   1 
ATOM   324  C  C    . LEU A 1 21 ? -9.48679  -8.78874  -31.79460 1.000 8.56325  ? 21  LEU A C    1 
ATOM   325  O  O    . LEU A 1 21 ? -9.54256  -9.06426  -33.00648 1.000 9.59129  ? 21  LEU A O    1 
ATOM   326  C  CB   . LEU A 1 21 ? -11.55814 -9.13616  -30.37748 1.000 8.96780  ? 21  LEU A CB   1 
ATOM   327  C  CG   . LEU A 1 21 ? -12.47085 -10.11232 -29.62894 1.000 9.49882  ? 21  LEU A CG   1 
ATOM   328  C  CD1  . LEU A 1 21 ? -13.69854 -9.41376  -29.04325 1.000 10.19484 ? 21  LEU A CD1  1 
ATOM   329  C  CD2  . LEU A 1 21 ? -12.93898 -11.25508 -30.52370 1.000 11.10488 ? 21  LEU A CD2  1 
ATOM   330  H  H    . LEU A 1 21 ? -9.71585  -9.54272  -28.84300 1.000 9.70944  ? 21  LEU A H    1 
ATOM   331  H  HA   . LEU A 1 21 ? -10.31911 -10.54314 -31.18029 1.000 9.99454  ? 21  LEU A HA   1 
ATOM   332  H  HB2  . LEU A 1 21 ? -11.43064 -8.36375  -29.80475 1.000 10.75833 ? 21  LEU A HB2  1 
ATOM   333  H  HB3  . LEU A 1 21 ? -12.01994 -8.87453  -31.18939 1.000 10.75833 ? 21  LEU A HB3  1 
ATOM   334  H  HG   . LEU A 1 21 ? -11.94194 -10.47810 -28.90274 1.000 11.39555 ? 21  LEU A HG   1 
ATOM   335  H  HD11 . LEU A 1 21 ? -13.40545 -8.69292  -28.46412 1.000 12.23078 ? 21  LEU A HD11 1 
ATOM   336  H  HD12 . LEU A 1 21 ? -14.21543 -10.05767 -28.53422 1.000 12.23078 ? 21  LEU A HD12 1 
ATOM   337  H  HD13 . LEU A 1 21 ? -14.23539 -9.05788  -29.76854 1.000 12.23078 ? 21  LEU A HD13 1 
ATOM   338  H  HD21 . LEU A 1 21 ? -13.43441 -10.88746 -31.27225 1.000 13.32282 ? 21  LEU A HD21 1 
ATOM   339  H  HD22 . LEU A 1 21 ? -13.50925 -11.84659 -30.00813 1.000 13.32282 ? 21  LEU A HD22 1 
ATOM   340  H  HD23 . LEU A 1 21 ? -12.16413 -11.74112 -30.84660 1.000 13.32282 ? 21  LEU A HD23 1 
ATOM   341  N  N    . ASP A 1 22 ? -8.82716  -7.72012  -31.32121 1.000 8.43064  ? 22  ASP A N    1 
ATOM   342  C  CA   . ASP A 1 22 ? -8.03695  -6.81763  -32.16857 1.000 8.78000  ? 22  ASP A CA   1 
ATOM   343  C  C    . ASP A 1 22 ? -6.94351  -7.59588  -32.89716 1.000 9.75593  ? 22  ASP A C    1 
ATOM   344  O  O    . ASP A 1 22 ? -6.82672  -7.53390  -34.12760 1.000 10.27002 ? 22  ASP A O    1 
ATOM   345  C  CB   . ASP A 1 22 ? -7.46932  -5.73137  -31.22879 1.000 9.70941  ? 22  ASP A CB   1 
ATOM   346  C  CG   . ASP A 1 22 ? -6.84806  -4.52891  -31.92033 1.000 10.65268 ? 22  ASP A CG   1 
ATOM   347  O  OD1  . ASP A 1 22 ? -6.47819  -4.61419  -33.10699 1.000 13.45973 ? 22  ASP A OD1  1 
ATOM   348  O  OD2  . ASP A 1 22 ? -6.69593  -3.50091  -31.21462 1.000 9.63542  ? 22  ASP A OD2  1 
ATOM   349  H  H    . ASP A 1 22 ? -8.82125  -7.49039  -30.49248 1.000 10.11374 ? 22  ASP A H    1 
ATOM   350  H  HA   . ASP A 1 22 ? -8.56983  -6.39373  -32.85940 1.000 10.53297 ? 22  ASP A HA   1 
ATOM   351  H  HB2  . ASP A 1 22 ? -8.19134  -5.40206  -30.67099 1.000 11.64826 ? 22  ASP A HB2  1 
ATOM   352  H  HB3  . ASP A 1 22 ? -6.78085  -6.13411  -30.67678 1.000 11.64826 ? 22  ASP A HB3  1 
ATOM   353  N  N    . THR A 1 23 ? -6.15622  -8.36737  -32.15488 1.000 9.99315  ? 23  THR A N    1 
ATOM   354  C  CA   . THR A 1 23 ? -5.11446  -9.19320  -32.76608 1.000 10.87975 ? 23  THR A CA   1 
ATOM   355  C  C    . THR A 1 23 ? -5.70262  -10.12429 -33.81851 1.000 10.64589 ? 23  THR A C    1 
ATOM   356  O  O    . THR A 1 23 ? -5.07266  -10.37526 -34.86388 1.000 12.55168 ? 23  THR A O    1 
ATOM   357  C  CB   . THR A 1 23 ? -4.40438  -9.99068  -31.66265 1.000 12.49664 ? 23  THR A CB   1 
ATOM   358  O  OG1  . THR A 1 23 ? -3.64735  -9.07911  -30.83573 1.000 16.42971 ? 23  THR A OG1  1 
ATOM   359  C  CG2  . THR A 1 23 ? -3.50242  -11.06648 -32.23104 1.000 14.15429 ? 23  THR A CG2  1 
ATOM   360  H  H    . THR A 1 23 ? -6.20155  -8.43300  -31.29859 1.000 11.98875 ? 23  THR A H    1 
ATOM   361  H  HA   . THR A 1 23 ? -4.46172  -8.62830  -33.20848 1.000 13.05267 ? 23  THR A HA   1 
ATOM   362  H  HB   . THR A 1 23 ? -5.06630  -10.44788 -31.12068 1.000 14.99294 ? 23  THR A HB   1 
ATOM   363  H  HG1  . THR A 1 23 ? -3.17218  -9.51017  -30.29352 0.000 19.71262 ? 23  THR A HG1  1 
ATOM   364  H  HG21 . THR A 1 23 ? -4.03188  -11.72788 -32.70341 1.000 16.98211 ? 23  THR A HG21 1 
ATOM   365  H  HG22 . THR A 1 23 ? -3.01695  -11.50495 -31.51482 1.000 16.98211 ? 23  THR A HG22 1 
ATOM   366  H  HG23 . THR A 1 23 ? -2.86573  -10.67357 -32.84841 1.000 16.98211 ? 23  THR A HG23 1 
ATOM   367  N  N    . ALA A 1 24 ? -6.90497  -10.63982 -33.56394 1.000 9.63741  ? 24  ALA A N    1 
ATOM   368  C  CA   . ALA A 1 24 ? -7.58555  -11.54544 -34.48617 1.000 10.70805 ? 24  ALA A CA   1 
ATOM   369  C  C    . ALA A 1 24 ? -8.28225  -10.83065 -35.63607 1.000 9.49716  ? 24  ALA A C    1 
ATOM   370  O  O    . ALA A 1 24 ? -8.92593  -11.49831 -36.46702 1.000 9.79129  ? 24  ALA A O    1 
ATOM   371  C  CB   . ALA A 1 24 ? -8.59941  -12.39553 -33.71879 1.000 11.75757 ? 24  ALA A CB   1 
ATOM   372  H  H    . ALA A 1 24 ? -7.35537  -10.47669 -32.84971 1.000 11.56186 ? 24  ALA A H    1 
ATOM   373  H  HA   . ALA A 1 24 ? -6.92413  -12.13804 -34.87637 1.000 12.84663 ? 24  ALA A HA   1 
ATOM   374  H  HB1  . ALA A 1 24 ? -9.05348  -12.98443 -34.34163 1.000 14.10605 ? 24  ALA A HB1  1 
ATOM   375  H  HB2  . ALA A 1 24 ? -8.13072  -12.91920 -33.05021 1.000 14.10605 ? 24  ALA A HB2  1 
ATOM   376  H  HB3  . ALA A 1 24 ? -9.24204  -11.80953 -33.28922 1.000 14.10605 ? 24  ALA A HB3  1 
ATOM   377  N  N    . THR A 1 25 ? -8.17608  -9.49742  -35.67804 1.000 10.34751 ? 25  THR A N    1 
ATOM   378  C  CA   . THR A 1 25 ? -8.73555  -8.60931  -36.69910 1.000 10.58702 ? 25  THR A CA   1 
ATOM   379  C  C    . THR A 1 25 ? -10.25936 -8.53377  -36.66147 1.000 9.98768  ? 25  THR A C    1 
ATOM   380  O  O    . THR A 1 25 ? -10.88930 -8.11346  -37.63913 1.000 11.03941 ? 25  THR A O    1 
ATOM   381  C  CB   . THR A 1 25 ? -8.19700  -8.85778  -38.12350 1.000 11.60976 ? 25  THR A CB   1 
ATOM   382  O  OG1  . THR A 1 25 ? -8.78845  -10.03482 -38.67568 1.000 12.25242 ? 25  THR A OG1  1 
ATOM   383  C  CG2  . THR A 1 25 ? -6.68845  -8.97976  -38.09305 1.000 12.98957 ? 25  THR A CG2  1 
ATOM   384  H  H    . THR A 1 25 ? -7.75073  -9.05226  -35.07761 1.000 12.41399 ? 25  THR A H    1 
ATOM   385  H  HA   . THR A 1 25 ? -8.41825  -7.71853  -36.48291 1.000 12.70140 ? 25  THR A HA   1 
ATOM   386  H  HB   . THR A 1 25 ? -8.42577  -8.11070  -38.69833 1.000 13.92868 ? 25  THR A HB   1 
ATOM   387  H  HG1  . THR A 1 25 ? -8.59276  -10.70255 -38.20510 0.000 14.69988 ? 25  THR A HG1  1 
ATOM   388  H  HG21 . THR A 1 25 ? -6.29734  -8.16948  -37.73059 1.000 15.58445 ? 25  THR A HG21 1 
ATOM   389  H  HG22 . THR A 1 25 ? -6.34868  -9.11898  -38.99087 1.000 15.58445 ? 25  THR A HG22 1 
ATOM   390  H  HG23 . THR A 1 25 ? -6.42749  -9.73100  -37.53769 1.000 15.58445 ? 25  THR A HG23 1 
ATOM   391  N  N    . GLN A 1 26 ? -10.86684 -8.89782  -35.53195 1.000 8.96897  ? 26  GLN A N    1 
ATOM   392  C  CA   . GLN A 1 26 ? -12.31685 -8.78112  -35.34242 1.000 8.49594  ? 26  GLN A CA   1 
ATOM   393  C  C    . GLN A 1 26 ? -12.64228 -7.38317  -34.81237 1.000 8.87958  ? 26  GLN A C    1 
ATOM   394  O  O    . GLN A 1 26 ? -13.03906 -7.19261  -33.66843 1.000 9.00456  ? 26  GLN A O    1 
ATOM   395  C  CB   . GLN A 1 26 ? -12.81177 -9.85875  -34.38504 1.000 9.21510  ? 26  GLN A CB   1 
ATOM   396  C  CG   . GLN A 1 26 ? -12.37698 -11.26568 -34.76534 1.000 9.50955  ? 26  GLN A CG   1 
ATOM   397  C  CD   . GLN A 1 26 ? -12.83815 -11.63449 -36.14521 1.000 9.69904  ? 26  GLN A CD   1 
ATOM   398  O  OE1  . GLN A 1 26 ? -14.03332 -11.80962 -36.38431 1.000 12.27315 ? 26  GLN A OE1  1 
ATOM   399  N  NE2  . GLN A 1 26 ? -11.90506 -11.72264 -37.07667 1.000 9.73543  ? 26  GLN A NE2  1 
ATOM   400  H  H    . GLN A 1 26 ? -10.45631 -9.22063  -34.84868 1.000 10.75973 ? 26  GLN A H    1 
ATOM   401  H  HA   . GLN A 1 26 ? -12.75710 -8.90162  -36.19832 1.000 10.19210 ? 26  GLN A HA   1 
ATOM   402  H  HB2  . GLN A 1 26 ? -12.46476 -9.67130  -33.49883 1.000 11.05509 ? 26  GLN A HB2  1 
ATOM   403  H  HB3  . GLN A 1 26 ? -13.78154 -9.84223  -34.37193 1.000 11.05509 ? 26  GLN A HB3  1 
ATOM   404  H  HG2  . GLN A 1 26 ? -11.40867 -11.31849 -34.74362 1.000 11.40843 ? 26  GLN A HG2  1 
ATOM   405  H  HG3  . GLN A 1 26 ? -12.75796 -11.89932 -34.13744 1.000 11.40843 ? 26  GLN A HG3  1 
ATOM   406  H  HE21 . GLN A 1 26 ? -11.08236 -11.57154 -36.87684 1.000 11.67948 ? 26  GLN A HE21 1 
ATOM   407  H  HE22 . GLN A 1 26 ? -12.12047 -11.93111 -37.88274 1.000 11.67948 ? 26  GLN A HE22 1 
ATOM   408  N  N    . TYR A 1 27 ? -12.49100 -6.39399  -35.69839 1.000 9.50824  ? 27  TYR A N    1 
ATOM   409  C  CA   . TYR A 1 27 ? -12.38567 -5.01377  -35.23982 1.000 9.35709  ? 27  TYR A CA   1 
ATOM   410  C  C    . TYR A 1 27 ? -13.70314 -4.48437  -34.66923 1.000 8.87877  ? 27  TYR A C    1 
ATOM   411  O  O    . TYR A 1 27 ? -13.68890 -3.69007  -33.72551 1.000 8.90129  ? 27  TYR A O    1 
ATOM   412  C  CB   . TYR A 1 27 ? -11.84777 -4.10892  -36.35779 1.000 10.68158 ? 27  TYR A CB   1 
ATOM   413  C  CG   . TYR A 1 27 ? -10.41612 -4.43536  -36.74663 1.000 10.86410 ? 27  TYR A CG   1 
ATOM   414  C  CD1  . TYR A 1 27 ? -9.41960  -4.53304  -35.78802 1.000 11.09811 ? 27  TYR A CD1  1 
ATOM   415  C  CD2  . TYR A 1 27 ? -10.06822 -4.66148  -38.06298 1.000 10.83952 ? 27  TYR A CD2  1 
ATOM   416  C  CE1  . TYR A 1 27 ? -8.11902  -4.84891  -36.13006 1.000 11.32983 ? 27  TYR A CE1  1 
ATOM   417  C  CE2  . TYR A 1 27 ? -8.76280  -4.98771  -38.42079 1.000 11.62292 ? 27  TYR A CE2  1 
ATOM   418  C  CZ   . TYR A 1 27 ? -7.79153  -5.06968  -37.44756 1.000 12.78832 ? 27  TYR A CZ   1 
ATOM   419  O  OH   . TYR A 1 27 ? -6.49163  -5.37710  -37.80560 1.000 15.04401 ? 27  TYR A OH   1 
ATOM   420  H  H    . TYR A 1 27 ? -12.44770 -6.49609  -36.55121 1.000 11.40686 ? 27  TYR A H    1 
ATOM   421  H  HA   . TYR A 1 27 ? -11.74045 -4.98956  -34.51594 1.000 11.22548 ? 27  TYR A HA   1 
ATOM   422  H  HB2  . TYR A 1 27 ? -12.40397 -4.21658  -37.14516 1.000 12.81486 ? 27  TYR A HB2  1 
ATOM   423  H  HB3  . TYR A 1 27 ? -11.87365 -3.18716  -36.05683 1.000 12.81486 ? 27  TYR A HB3  1 
ATOM   424  H  HD1  . TYR A 1 27 ? -9.63127  -4.38261  -34.89501 1.000 13.31470 ? 27  TYR A HD1  1 
ATOM   425  H  HD2  . TYR A 1 27 ? -10.71877 -4.59459  -38.72419 1.000 13.00439 ? 27  TYR A HD2  1 
ATOM   426  H  HE1  . TYR A 1 27 ? -7.46614  -4.91216  -35.47079 1.000 13.59277 ? 27  TYR A HE1  1 
ATOM   427  H  HE2  . TYR A 1 27 ? -8.54803  -5.14923  -39.31112 1.000 13.94447 ? 27  TYR A HE2  1 
ATOM   428  H  HH   . TYR A 1 27 ? -6.05641  -5.61765  -37.12861 0.000 18.04978 ? 27  TYR A HH   1 
ATOM   429  N  N    . GLU A 1 28 ? -14.85316 -4.87616  -35.23210 1.000 10.53156 ? 28  GLU A N    1 
ATOM   430  C  CA   A GLU A 1 28 ? -16.13396 -4.40328  -34.70313 0.465 11.28170 ? 28  GLU A CA   1 
ATOM   431  C  CA   B GLU A 1 28 ? -16.13032 -4.40001  -34.70335 0.535 11.70638 ? 28  GLU A CA   1 
ATOM   432  C  C    . GLU A 1 28 ? -16.31483 -4.84220  -33.25501 1.000 9.97531  ? 28  GLU A C    1 
ATOM   433  O  O    . GLU A 1 28 ? -16.67614 -4.04106  -32.38496 1.000 10.27001 ? 28  GLU A O    1 
ATOM   434  C  CB   A GLU A 1 28 ? -17.29371 -4.93213  -35.55233 0.465 14.30904 ? 28  GLU A CB   1 
ATOM   435  C  CB   B GLU A 1 28 ? -17.27809 -4.90389  -35.57902 0.535 15.59457 ? 28  GLU A CB   1 
ATOM   436  C  CG   A GLU A 1 28 ? -17.49503 -4.24678  -36.89579 0.465 17.12278 ? 28  GLU A CG   1 
ATOM   437  C  CG   B GLU A 1 28 ? -18.65608 -4.47119  -35.12468 0.535 19.62742 ? 28  GLU A CG   1 
ATOM   438  C  CD   A GLU A 1 28 ? -18.41113 -3.03703  -36.81173 0.465 19.74127 ? 28  GLU A CD   1 
ATOM   439  C  CD   B GLU A 1 28 ? -19.76507 -5.04139  -35.99734 0.535 25.81854 ? 28  GLU A CD   1 
ATOM   440  O  OE1  A GLU A 1 28 ? -18.57581 -2.48308  -35.70296 0.465 18.83071 ? 28  GLU A OE1  1 
ATOM   441  O  OE1  B GLU A 1 28 ? -19.47609 -5.92633  -36.82620 0.535 28.09068 ? 28  GLU A OE1  1 
ATOM   442  O  OE2  A GLU A 1 28 ? -18.96551 -2.64624  -37.86218 0.465 22.96440 ? 28  GLU A OE2  1 
ATOM   443  O  OE2  B GLU A 1 28 ? -20.92811 -4.60257  -35.85219 0.535 28.41888 ? 28  GLU A OE2  1 
ATOM   444  H  H    . GLU A 1 28 ? -14.92052 -5.40562  -35.90644 1.000 12.63485 ? 28  GLU A H    1 
ATOM   445  H  HA   . GLU A 1 28 ? -16.14298 -3.43424  -34.74534 1.000 14.04463 ? 28  GLU A HA   1 
ATOM   446  H  HB2  A GLU A 1 28 ? -17.13639 -5.87267  -35.72992 0.465 17.16781 ? 28  GLU A HB2  1 
ATOM   447  H  HB2  B GLU A 1 28 ? -17.14867 -4.56857  -36.47998 0.535 18.71046 ? 28  GLU A HB2  1 
ATOM   448  H  HB3  A GLU A 1 28 ? -18.11480 -4.82261  -35.04764 0.465 17.16781 ? 28  GLU A HB3  1 
ATOM   449  H  HB3  B GLU A 1 28 ? -17.26194 -5.87376  -35.58049 0.535 18.71046 ? 28  GLU A HB3  1 
ATOM   450  H  HG2  A GLU A 1 28 ? -16.63468 -3.94801  -37.22960 0.465 20.54431 ? 28  GLU A HG2  1 
ATOM   451  H  HG2  B GLU A 1 28 ? -18.80083 -4.77792  -34.21591 0.535 23.54988 ? 28  GLU A HG2  1 
ATOM   452  H  HG3  A GLU A 1 28 ? -17.89031 -4.87892  -37.51633 0.465 20.54431 ? 28  GLU A HG3  1 
ATOM   453  H  HG3  B GLU A 1 28 ? -18.71230 -3.50351  -35.16113 0.535 23.54988 ? 28  GLU A HG3  1 
ATOM   454  N  N    . GLU A 1 29 ? -16.05704 -6.11740  -32.97692 1.000 9.00410  ? 29  GLU A N    1 
ATOM   455  C  CA   . GLU A 1 29 ? -16.24369 -6.63974  -31.63426 1.000 9.65826  ? 29  GLU A CA   1 
ATOM   456  C  C    . GLU A 1 29 ? -15.13263 -6.17686  -30.70711 1.000 7.69107  ? 29  GLU A C    1 
ATOM   457  O  O    . GLU A 1 29 ? -15.35942 -5.99043  -29.50864 1.000 9.02079  ? 29  GLU A O    1 
ATOM   458  C  CB   . GLU A 1 29 ? -16.33389 -8.16821  -31.70800 1.000 10.89961 ? 29  GLU A CB   1 
ATOM   459  C  CG   . GLU A 1 29 ? -17.52652 -8.68121  -32.51659 1.000 14.17097 ? 29  GLU A CG   1 
ATOM   460  C  CD   . GLU A 1 29 ? -17.32052 -8.75607  -34.04732 1.000 13.12630 ? 29  GLU A CD   1 
ATOM   461  O  OE1  . GLU A 1 29 ? -16.20637 -8.54377  -34.57621 1.000 12.62519 ? 29  GLU A OE1  1 
ATOM   462  O  OE2  . GLU A 1 29 ? -18.31619 -9.04564  -34.73131 1.000 16.61611 ? 29  GLU A OE2  1 
ATOM   463  H  H    . GLU A 1 29 ? -15.77448 -6.69589  -33.54711 1.000 10.80189 ? 29  GLU A H    1 
ATOM   464  H  HA   . GLU A 1 29 ? -17.07648 -6.32246  -31.25126 1.000 11.58688 ? 29  GLU A HA   1 
ATOM   465  H  HB2  . GLU A 1 29 ? -15.52648 -8.50775  -32.12477 1.000 13.07650 ? 29  GLU A HB2  1 
ATOM   466  H  HB3  . GLU A 1 29 ? -16.41497 -8.51887  -30.80724 1.000 13.07650 ? 29  GLU A HB3  1 
ATOM   467  H  HG2  . GLU A 1 29 ? -17.73800 -9.57737  -32.21154 1.000 17.00213 ? 29  GLU A HG2  1 
ATOM   468  H  HG3  . GLU A 1 29 ? -18.27900 -8.09024  -32.35708 1.000 17.00213 ? 29  GLU A HG3  1 
ATOM   469  N  N    . ALA A 1 30 ? -13.92722 -5.97320  -31.24075 1.000 8.01310  ? 30  ALA A N    1 
ATOM   470  C  CA   . ALA A 1 30 ? -12.85886 -5.41208  -30.42326 1.000 8.06896  ? 30  ALA A CA   1 
ATOM   471  C  C    . ALA A 1 30 ? -13.20839 -3.99379  -29.97680 1.000 7.57481  ? 30  ALA A C    1 
ATOM   472  O  O    . ALA A 1 30 ? -13.04395 -3.64998  -28.79836 1.000 8.87253  ? 30  ALA A O    1 
ATOM   473  C  CB   . ALA A 1 30 ? -11.54159 -5.43385  -31.20052 1.000 9.19226  ? 30  ALA A CB   1 
ATOM   474  H  H    . ALA A 1 30 ? -13.70915 -6.14778  -32.05412 1.000 9.61269  ? 30  ALA A H    1 
ATOM   475  H  HA   . ALA A 1 30 ? -12.74075 -5.95641  -29.62912 1.000 9.67973  ? 30  ALA A HA   1 
ATOM   476  H  HB1  . ALA A 1 30 ? -10.81407 -5.22189  -30.59497 1.000 11.02769 ? 30  ALA A HB1  1 
ATOM   477  H  HB2  . ALA A 1 30 ? -11.41161 -6.31833  -31.57695 1.000 11.02769 ? 30  ALA A HB2  1 
ATOM   478  H  HB3  . ALA A 1 30 ? -11.58323 -4.77481  -31.91103 1.000 11.02769 ? 30  ALA A HB3  1 
ATOM   479  N  N    . TYR A 1 31 ? -13.71971 -3.16762  -30.89515 1.000 8.31575  ? 31  TYR A N    1 
ATOM   480  C  CA   . TYR A 1 31 ? -14.12191 -1.81728  -30.52463 1.000 9.30317  ? 31  TYR A CA   1 
ATOM   481  C  C    . TYR A 1 31 ? -15.13780 -1.83600  -29.37917 1.000 8.49117  ? 31  TYR A C    1 
ATOM   482  O  O    . TYR A 1 31 ? -15.01532 -1.08346  -28.40908 1.000 9.09310  ? 31  TYR A O    1 
ATOM   483  C  CB   . TYR A 1 31 ? -14.69869 -1.07313  -31.72893 1.000 9.58624  ? 31  TYR A CB   1 
ATOM   484  C  CG   . TYR A 1 31 ? -15.23475 0.27771   -31.28995 1.000 9.52640  ? 31  TYR A CG   1 
ATOM   485  C  CD1  . TYR A 1 31 ? -14.37155 1.33479   -31.03385 1.000 9.95078  ? 31  TYR A CD1  1 
ATOM   486  C  CD2  . TYR A 1 31 ? -16.57987 0.46428   -31.04484 1.000 12.28662 ? 31  TYR A CD2  1 
ATOM   487  C  CE1  . TYR A 1 31 ? -14.84990 2.54733   -30.58006 1.000 12.40909 ? 31  TYR A CE1  1 
ATOM   488  C  CE2  . TYR A 1 31 ? -17.06813 1.67923   -30.60055 1.000 13.11730 ? 31  TYR A CE2  1 
ATOM   489  C  CZ   . TYR A 1 31 ? -16.19439 2.71732   -30.36250 1.000 13.88579 ? 31  TYR A CZ   1 
ATOM   490  O  OH   . TYR A 1 31 ? -16.65912 3.94647   -29.90970 1.000 15.69986 ? 31  TYR A OH   1 
ATOM   491  H  H    . TYR A 1 31 ? -13.84036 -3.36470  -31.72353 1.000 9.97587  ? 31  TYR A H    1 
ATOM   492  H  HA   . TYR A 1 31 ? -13.33112 -1.33966  -30.22894 1.000 11.16078 ? 31  TYR A HA   1 
ATOM   493  H  HB2  . TYR A 1 31 ? -14.00348 -0.93365  -32.39085 1.000 11.50046 ? 31  TYR A HB2  1 
ATOM   494  H  HB3  . TYR A 1 31 ? -15.42511 -1.58772  -32.11415 1.000 11.50046 ? 31  TYR A HB3  1 
ATOM   495  H  HD1  . TYR A 1 31 ? -13.45825 1.22420   -31.17001 1.000 11.93790 ? 31  TYR A HD1  1 
ATOM   496  H  HD2  . TYR A 1 31 ? -17.16998 -0.24146  -31.18124 1.000 14.74092 ? 31  TYR A HD2  1 
ATOM   497  H  HE1  . TYR A 1 31 ? -14.26098 3.24945   -30.42165 1.000 14.88788 ? 31  TYR A HE1  1 
ATOM   498  H  HE2  . TYR A 1 31 ? -17.98065 1.79486   -30.46331 1.000 15.73773 ? 31  TYR A HE2  1 
ATOM   499  H  HH   . TYR A 1 31 ? -16.01212 4.46099   -29.76047 0.000 18.83680 ? 31  TYR A HH   1 
ATOM   500  N  N    . THR A 1 32 ? -16.15589 -2.69524  -29.48156 1.000 9.38183  ? 32  THR A N    1 
ATOM   501  C  CA   . THR A 1 32 ? -17.19069 -2.78425  -28.45127 1.000 9.62474  ? 32  THR A CA   1 
ATOM   502  C  C    . THR A 1 32 ? -16.58100 -3.19134  -27.11585 1.000 8.41332  ? 32  THR A C    1 
ATOM   503  O  O    . THR A 1 32 ? -16.92058 -2.62494  -26.06212 1.000 8.36479  ? 32  THR A O    1 
ATOM   504  C  CB   . THR A 1 32 ? -18.25612 -3.78335  -28.91807 1.000 11.30437 ? 32  THR A CB   1 
ATOM   505  O  OG1  . THR A 1 32 ? -18.89740 -3.27393  -30.10027 1.000 12.81101 ? 32  THR A OG1  1 
ATOM   506  C  CG2  . THR A 1 32 ? -19.32011 -4.04023  -27.86072 1.000 12.49909 ? 32  THR A CG2  1 
ATOM   507  H  H    . THR A 1 32 ? -16.27058 -3.23827  -30.13850 1.000 11.25517 ? 32  THR A H    1 
ATOM   508  H  HA   . THR A 1 32 ? -17.62051 -1.92466  -28.31988 1.000 11.54666 ? 32  THR A HA   1 
ATOM   509  H  HB   . THR A 1 32 ? -17.81745 -4.62943  -29.09866 1.000 13.56222 ? 32  THR A HB   1 
ATOM   510  H  HG1  . THR A 1 32 ? -19.47215 -3.82190  -30.37413 0.000 15.37018 ? 32  THR A HG1  1 
ATOM   511  H  HG21 . THR A 1 32 ? -18.95872 -4.59958  -27.15544 1.000 14.99587 ? 32  THR A HG21 1 
ATOM   512  H  HG22 . THR A 1 32 ? -20.08219 -4.48903  -28.25912 1.000 14.99587 ? 32  THR A HG22 1 
ATOM   513  H  HG23 . THR A 1 32 ? -19.61527 -3.20007  -27.47612 1.000 14.99587 ? 32  THR A HG23 1 
ATOM   514  N  N    . ALA A 1 33 ? -15.66009 -4.15952  -27.13786 1.000 7.65045  ? 33  ALA A N    1 
ATOM   515  C  CA   . ALA A 1 33 ? -15.04188 -4.59744  -25.89102 1.000 7.43432  ? 33  ALA A CA   1 
ATOM   516  C  C    . ALA A 1 33 ? -14.15851 -3.49728  -25.29285 1.000 7.79457  ? 33  ALA A C    1 
ATOM   517  O  O    . ALA A 1 33 ? -14.13015 -3.31846  -24.07351 1.000 8.51049  ? 33  ALA A O    1 
ATOM   518  C  CB   . ALA A 1 33 ? -14.26557 -5.89524  -26.11691 1.000 9.03228  ? 33  ALA A CB   1 
ATOM   519  H  H    . ALA A 1 33 ? -15.38472 -4.56653  -27.84363 1.000 9.17751  ? 33  ALA A H    1 
ATOM   520  H  HA   . ALA A 1 33 ? -15.73495 -4.79120  -25.24063 1.000 8.91815  ? 33  ALA A HA   1 
ATOM   521  H  HB1  . ALA A 1 33 ? -13.84177 -6.15858  -25.28508 1.000 10.83570 ? 33  ALA A HB1  1 
ATOM   522  H  HB2  . ALA A 1 33 ? -14.88210 -6.58559  -26.40708 1.000 10.83570 ? 33  ALA A HB2  1 
ATOM   523  H  HB3  . ALA A 1 33 ? -13.59183 -5.74565  -26.79853 1.000 10.83570 ? 33  ALA A HB3  1 
ATOM   524  N  N    . TYR A 1 34 ? -13.41646 -2.75867  -26.12753 1.000 7.91330  ? 34  TYR A N    1 
ATOM   525  C  CA   . TYR A 1 34 ? -12.65610 -1.62959  -25.60436 1.000 6.64115  ? 34  TYR A CA   1 
ATOM   526  C  C    . TYR A 1 34 ? -13.58510 -0.61809  -24.94392 1.000 7.15414  ? 34  TYR A C    1 
ATOM   527  O  O    . TYR A 1 34 ? -13.31283 -0.14317  -23.83450 1.000 7.88769  ? 34  TYR A O    1 
ATOM   528  C  CB   . TYR A 1 34 ? -11.85551 -0.92601  -26.70584 1.000 7.93980  ? 34  TYR A CB   1 
ATOM   529  C  CG   . TYR A 1 34 ? -10.56540 -1.58144  -27.17436 1.000 8.22246  ? 34  TYR A CG   1 
ATOM   530  C  CD1  . TYR A 1 34 ? -9.51805  -1.86045  -26.29144 1.000 8.86762  ? 34  TYR A CD1  1 
ATOM   531  C  CD2  . TYR A 1 34 ? -10.37880 -1.88692  -28.52504 1.000 8.55446  ? 34  TYR A CD2  1 
ATOM   532  C  CE1  . TYR A 1 34 ? -8.34573  -2.44201  -26.73190 1.000 8.13903  ? 34  TYR A CE1  1 
ATOM   533  C  CE2  . TYR A 1 34 ? -9.18973  -2.44666  -28.97851 1.000 9.47283  ? 34  TYR A CE2  1 
ATOM   534  C  CZ   . TYR A 1 34 ? -8.19062  -2.74665  -28.07722 1.000 8.58320  ? 34  TYR A CZ   1 
ATOM   535  O  OH   . TYR A 1 34 ? -7.01540  -3.32276  -28.51178 1.000 9.15245  ? 34  TYR A OH   1 
ATOM   536  H  H    . TYR A 1 34 ? -13.34142 -2.88980  -26.97416 1.000 9.49294  ? 34  TYR A H    1 
ATOM   537  H  HA   . TYR A 1 34 ? -12.02648 -1.97979  -24.95487 1.000 7.96635  ? 34  TYR A HA   1 
ATOM   538  H  HB2  . TYR A 1 34 ? -12.42809 -0.84958  -27.48508 1.000 9.52473  ? 34  TYR A HB2  1 
ATOM   539  H  HB3  . TYR A 1 34 ? -11.61763 -0.04347  -26.38110 1.000 9.52473  ? 34  TYR A HB3  1 
ATOM   540  H  HD1  . TYR A 1 34 ? -9.61269  -1.65041  -25.39042 1.000 10.63812 ? 34  TYR A HD1  1 
ATOM   541  H  HD2  . TYR A 1 34 ? -11.06210 -1.71273  -29.13139 1.000 10.26232 ? 34  TYR A HD2  1 
ATOM   542  H  HE1  . TYR A 1 34 ? -7.66245  -2.62894  -26.12933 1.000 9.76380  ? 34  TYR A HE1  1 
ATOM   543  H  HE2  . TYR A 1 34 ? -9.06900  -2.61772  -29.88464 1.000 11.36436 ? 34  TYR A HE2  1 
ATOM   544  H  HH   . TYR A 1 34 ? -6.48145  -3.40632  -27.86873 0.000 10.97992 ? 34  TYR A HH   1 
ATOM   545  N  N    . TYR A 1 35 ? -14.68121 -0.26473  -25.62819 1.000 7.67240  ? 35  TYR A N    1 
ATOM   546  C  CA   . TYR A 1 35 ? -15.62578 0.71296   -25.09036 1.000 8.00363  ? 35  TYR A CA   1 
ATOM   547  C  C    . TYR A 1 35 ? -16.10172 0.27691   -23.70818 1.000 7.97975  ? 35  TYR A C    1 
ATOM   548  O  O    . TYR A 1 35 ? -16.04593 1.03975   -22.73214 1.000 8.08686  ? 35  TYR A O    1 
ATOM   549  C  CB   . TYR A 1 35 ? -16.81205 0.87143   -26.06468 1.000 9.47881  ? 35  TYR A CB   1 
ATOM   550  C  CG   . TYR A 1 35 ? -17.79272 1.95962   -25.70057 1.000 9.33295  ? 35  TYR A CG   1 
ATOM   551  C  CD1  . TYR A 1 35 ? -18.64707 1.80750   -24.62093 1.000 9.51465  ? 35  TYR A CD1  1 
ATOM   552  C  CD2  . TYR A 1 35 ? -17.84933 3.14290   -26.41217 1.000 11.30256 ? 35  TYR A CD2  1 
ATOM   553  C  CE1  . TYR A 1 35 ? -19.51815 2.81200   -24.25197 1.000 9.34165  ? 35  TYR A CE1  1 
ATOM   554  C  CE2  . TYR A 1 35 ? -18.72369 4.14196   -26.05886 1.000 12.26927 ? 35  TYR A CE2  1 
ATOM   555  C  CZ   . TYR A 1 35 ? -19.55411 3.96843   -24.97587 1.000 10.06273 ? 35  TYR A CZ   1 
ATOM   556  O  OH   . TYR A 1 35 ? -20.43768 4.96542   -24.61429 1.000 12.11442 ? 35  TYR A OH   1 
ATOM   557  H  H    . TYR A 1 35 ? -14.89705 -0.57574  -26.40039 1.000 9.20386  ? 35  TYR A H    1 
ATOM   558  H  HA   . TYR A 1 35 ? -15.19552 1.57802   -25.00397 1.000 9.60133  ? 35  TYR A HA   1 
ATOM   559  H  HB2  . TYR A 1 35 ? -16.46124 1.07827   -26.94505 1.000 11.37154 ? 35  TYR A HB2  1 
ATOM   560  H  HB3  . TYR A 1 35 ? -17.30209 0.03473   -26.09100 1.000 11.37154 ? 35  TYR A HB3  1 
ATOM   561  H  HD1  . TYR A 1 35 ? -18.63332 1.01406   -24.13600 1.000 11.41455 ? 35  TYR A HD1  1 
ATOM   562  H  HD2  . TYR A 1 35 ? -17.28628 3.26492   -27.14223 1.000 13.56004 ? 35  TYR A HD2  1 
ATOM   563  H  HE1  . TYR A 1 35 ? -20.07611 2.70192   -23.51613 1.000 11.20695 ? 35  TYR A HE1  1 
ATOM   564  H  HE2  . TYR A 1 35 ? -18.75404 4.93154   -26.54931 1.000 14.72009 ? 35  TYR A HE2  1 
ATOM   565  H  HH   . TYR A 1 35 ? -21.03938 4.65063   -24.11985 0.000 14.53427 ? 35  TYR A HH   1 
ATOM   566  N  N    . ASN A 1 36 ? -16.55030 -0.96969  -23.60444 1.000 7.98465  ? 36  ASN A N    1 
ATOM   567  C  CA   . ASN A 1 36 ? -17.10528 -1.45384  -22.34962 1.000 7.98777  ? 36  ASN A CA   1 
ATOM   568  C  C    . ASN A 1 36 ? -16.03271 -1.55974  -21.26452 1.000 7.82156  ? 36  ASN A C    1 
ATOM   569  O  O    . ASN A 1 36 ? -16.28169 -1.20373  -20.10990 1.000 8.48245  ? 36  ASN A O    1 
ATOM   570  C  CB   . ASN A 1 36 ? -17.79152 -2.79881  -22.60480 1.000 9.23589  ? 36  ASN A CB   1 
ATOM   571  C  CG   . ASN A 1 36 ? -19.08666 -2.63457  -23.37517 1.000 8.63383  ? 36  ASN A CG   1 
ATOM   572  O  OD1  . ASN A 1 36 ? -19.74298 -1.60612  -23.25934 1.000 10.33016 ? 36  ASN A OD1  1 
ATOM   573  N  ND2  . ASN A 1 36 ? -19.44473 -3.63076  -24.18773 1.000 10.44966 ? 36  ASN A ND2  1 
ATOM   574  H  H    . ASN A 1 36 ? -16.54454 -1.54922  -24.23982 1.000 9.57856  ? 36  ASN A H    1 
ATOM   575  H  HA   . ASN A 1 36 ? -17.77079 -0.83055  -22.01871 1.000 9.58229  ? 36  ASN A HA   1 
ATOM   576  H  HB2  . ASN A 1 36 ? -17.19969 -3.36623  -23.12313 1.000 11.08004 ? 36  ASN A HB2  1 
ATOM   577  H  HB3  . ASN A 1 36 ? -17.99491 -3.22006  -21.75505 1.000 11.08004 ? 36  ASN A HB3  1 
ATOM   578  H  HD21 . ASN A 1 36 ? -20.17295 -3.57469  -24.64177 1.000 12.53656 ? 36  ASN A HD21 1 
ATOM   579  H  HD22 . ASN A 1 36 ? -18.94726 -4.32881  -24.25734 1.000 12.53656 ? 36  ASN A HD22 1 
ATOM   580  N  N    . GLY A 1 37 ? -14.83254 -2.01677  -21.61676 1.000 7.77298  ? 37  GLY A N    1 
ATOM   581  C  CA   . GLY A 1 37 ? -13.76410 -2.08234  -20.63539 1.000 7.59081  ? 37  GLY A CA   1 
ATOM   582  C  C    . GLY A 1 37 ? -13.32147 -0.70910  -20.16397 1.000 7.44115  ? 37  GLY A C    1 
ATOM   583  O  O    . GLY A 1 37 ? -13.06159 -0.50464  -18.97672 1.000 8.56075  ? 37  GLY A O    1 
ATOM   584  H  H    . GLY A 1 37 ? -14.61785 -2.28932  -22.40367 1.000 9.32454  ? 37  GLY A H    1 
ATOM   585  H  HA2  . GLY A 1 37 ? -14.06793 -2.58628  -19.86427 1.000 9.10595  ? 37  GLY A HA2  1 
ATOM   586  H  HA3  . GLY A 1 37 ? -12.99837 -2.53252  -21.02513 1.000 9.10595  ? 37  GLY A HA3  1 
ATOM   587  N  N    . LEU A 1 38 ? -13.24826 0.25148   -21.08261 1.000 8.57406  ? 38  LEU A N    1 
ATOM   588  C  CA   . LEU A 1 38 ? -12.84030 1.59896   -20.71383 1.000 7.91321  ? 38  LEU A CA   1 
ATOM   589  C  C    . LEU A 1 38 ? -13.81709 2.23903   -19.73440 1.000 7.37700  ? 38  LEU A C    1 
ATOM   590  O  O    . LEU A 1 38 ? -13.40129 3.02870   -18.87431 1.000 8.68235  ? 38  LEU A O    1 
ATOM   591  C  CB   . LEU A 1 38 ? -12.67684 2.45526   -21.96276 1.000 9.45920  ? 38  LEU A CB   1 
ATOM   592  C  CG   . LEU A 1 38 ? -11.48484 2.08453   -22.85245 1.000 8.92476  ? 38  LEU A CG   1 
ATOM   593  C  CD1  . LEU A 1 38 ? -11.62490 2.68971   -24.23571 1.000 9.11326  ? 38  LEU A CD1  1 
ATOM   594  C  CD2  . LEU A 1 38 ? -10.16576 2.50250   -22.18033 1.000 10.94509 ? 38  LEU A CD2  1 
ATOM   595  H  H    . LEU A 1 38 ? -13.42795 0.14867   -21.91732 1.000 10.28584 ? 38  LEU A H    1 
ATOM   596  H  HA   . LEU A 1 38 ? -11.97728 1.55570   -20.27312 1.000 9.49282  ? 38  LEU A HA   1 
ATOM   597  H  HB2  . LEU A 1 38 ? -13.47958 2.36884   -22.50039 1.000 11.34801 ? 38  LEU A HB2  1 
ATOM   598  H  HB3  . LEU A 1 38 ? -12.55933 3.37807   -21.68798 1.000 11.34801 ? 38  LEU A HB3  1 
ATOM   599  H  HG   . LEU A 1 38 ? -11.46337 1.12182   -22.96921 1.000 10.70668 ? 38  LEU A HG   1 
ATOM   600  H  HD11 . LEU A 1 38 ? -12.40150 2.30517   -24.67150 1.000 10.93289 ? 38  LEU A HD11 1 
ATOM   601  H  HD12 . LEU A 1 38 ? -10.82593 2.49236   -24.74914 1.000 10.93289 ? 38  LEU A HD12 1 
ATOM   602  H  HD13 . LEU A 1 38 ? -11.73477 3.64972   -24.15076 1.000 10.93289 ? 38  LEU A HD13 1 
ATOM   603  H  HD21 . LEU A 1 38 ? -10.18757 3.45686   -22.00824 1.000 13.13108 ? 38  LEU A HD21 1 
ATOM   604  H  HD22 . LEU A 1 38 ? -9.42805  2.29007   -22.77325 1.000 13.13108 ? 38  LEU A HD22 1 
ATOM   605  H  HD23 . LEU A 1 38 ? -10.06929 2.01797   -21.34557 1.000 13.13108 ? 38  LEU A HD23 1 
ATOM   606  N  N    . ASP A 1 39 ? -15.11623 1.93820   -19.85025 1.000 7.54479  ? 39  ASP A N    1 
ATOM   607  C  CA   . ASP A 1 39 ? -16.07218 2.44310   -18.86833 1.000 8.50605  ? 39  ASP A CA   1 
ATOM   608  C  C    . ASP A 1 39 ? -15.75336 1.91470   -17.46830 1.000 8.22047  ? 39  ASP A C    1 
ATOM   609  O  O    . ASP A 1 39 ? -15.81294 2.66638   -16.48345 1.000 8.50993  ? 39  ASP A O    1 
ATOM   610  C  CB   . ASP A 1 39 ? -17.50694 2.07452   -19.25096 1.000 9.78287  ? 39  ASP A CB   1 
ATOM   611  C  CG   . ASP A 1 39 ? -18.12838 3.04684   -20.25048 1.000 11.24168 ? 39  ASP A CG   1 
ATOM   612  O  OD1  . ASP A 1 39 ? -17.55173 4.12055   -20.48890 1.000 14.02579 ? 39  ASP A OD1  1 
ATOM   613  O  OD2  . ASP A 1 39 ? -19.19139 2.73318   -20.80155 1.000 12.66189 ? 39  ASP A OD2  1 
ATOM   614  H  H    . ASP A 1 39 ? -15.45874 1.45522   -20.47397 1.000 9.05072  ? 39  ASP A H    1 
ATOM   615  H  HA   . ASP A 1 39 ? -16.00975 3.41107   -18.86240 1.000 10.20423 ? 39  ASP A HA   1 
ATOM   616  H  HB2  . ASP A 1 39 ? -17.50873 1.19163   -19.65270 1.000 11.73642 ? 39  ASP A HB2  1 
ATOM   617  H  HB3  . ASP A 1 39 ? -18.05635 2.07638   -18.45155 1.000 11.73642 ? 39  ASP A HB3  1 
ATOM   618  N  N    . TYR A 1 40 ? -15.42741 0.61995   -17.34908 1.000 8.18195  ? 40  TYR A N    1 
ATOM   619  C  CA   . TYR A 1 40 ? -15.02240 0.09249   -16.04762 1.000 8.45626  ? 40  TYR A CA   1 
ATOM   620  C  C    . TYR A 1 40 ? -13.72679 0.72651   -15.55464 1.000 8.24503  ? 40  TYR A C    1 
ATOM   621  O  O    . TYR A 1 40 ? -13.56067 0.94615   -14.34646 1.000 8.50490  ? 40  TYR A O    1 
ATOM   622  C  CB   . TYR A 1 40 ? -14.87735 -1.43010  -16.11176 1.000 7.99608  ? 40  TYR A CB   1 
ATOM   623  C  CG   . TYR A 1 40 ? -16.16336 -2.20439  -15.96987 1.000 8.32670  ? 40  TYR A CG   1 
ATOM   624  C  CD1  . TYR A 1 40 ? -16.68706 -2.49850  -14.71957 1.000 9.74022  ? 40  TYR A CD1  1 
ATOM   625  C  CD2  . TYR A 1 40 ? -16.83328 -2.67537  -17.08991 1.000 11.08547 ? 40  TYR A CD2  1 
ATOM   626  C  CE1  . TYR A 1 40 ? -17.84478 -3.24078  -14.59451 1.000 10.31100 ? 40  TYR A CE1  1 
ATOM   627  C  CE2  . TYR A 1 40 ? -18.00027 -3.41630  -16.97005 1.000 12.16060 ? 40  TYR A CE2  1 
ATOM   628  C  CZ   . TYR A 1 40 ? -18.50003 -3.68868  -15.71401 1.000 10.70894 ? 40  TYR A CZ   1 
ATOM   629  O  OH   . TYR A 1 40 ? -19.64934 -4.44055  -15.59315 1.000 13.07630 ? 40  TYR A OH   1 
ATOM   630  H  H    . TYR A 1 40 ? -15.43340 0.04566   -17.98920 1.000 9.81532  ? 40  TYR A H    1 
ATOM   631  H  HA   . TYR A 1 40 ? -15.71969 0.30506   -15.40769 1.000 10.14448 ? 40  TYR A HA   1 
ATOM   632  H  HB2  . TYR A 1 40 ? -14.49078 -1.66497  -16.96984 1.000 9.59227  ? 40  TYR A HB2  1 
ATOM   633  H  HB3  . TYR A 1 40 ? -14.28859 -1.71208  -15.39430 1.000 9.59227  ? 40  TYR A HB3  1 
ATOM   634  H  HD1  . TYR A 1 40 ? -16.25320 -2.19205  -13.95619 1.000 11.68523 ? 40  TYR A HD1  1 
ATOM   635  H  HD2  . TYR A 1 40 ? -16.49409 -2.49116  -17.93603 1.000 13.29953 ? 40  TYR A HD2  1 
ATOM   636  H  HE1  . TYR A 1 40 ? -18.18103 -3.43752  -13.75004 1.000 12.37017 ? 40  TYR A HE1  1 
ATOM   637  H  HE2  . TYR A 1 40 ? -18.44058 -3.72583  -17.72848 1.000 14.58969 ? 40  TYR A HE2  1 
ATOM   638  H  HH   . TYR A 1 40 ? -19.75134 -4.68324  -14.79547 0.000 15.68853 ? 40  TYR A HH   1 
ATOM   639  N  N    . LEU A 1 41 ? -12.77876 0.98718   -16.45637 1.000 7.95273  ? 41  LEU A N    1 
ATOM   640  C  CA   . LEU A 1 41 ? -11.52938 1.59570   -16.01854 1.000 8.28939  ? 41  LEU A CA   1 
ATOM   641  C  C    . LEU A 1 41 ? -11.74747 3.02810   -15.54604 1.000 6.99463  ? 41  LEU A C    1 
ATOM   642  O  O    . LEU A 1 41 ? -11.06970 3.47360   -14.61845 1.000 8.44341  ? 41  LEU A O    1 
ATOM   643  C  CB   . LEU A 1 41 ? -10.47949 1.55966   -17.11736 1.000 9.53514  ? 41  LEU A CB   1 
ATOM   644  C  CG   . LEU A 1 41 ? -10.01494 0.18254   -17.56243 1.000 9.02788  ? 41  LEU A CG   1 
ATOM   645  C  CD1  . LEU A 1 41 ? -8.84443  0.34925   -18.54111 1.000 11.49844 ? 41  LEU A CD1  1 
ATOM   646  C  CD2  . LEU A 1 41 ? -9.61553  -0.73132  -16.42332 1.000 9.98217  ? 41  LEU A CD2  1 
ATOM   647  H  H    . LEU A 1 41 ? -12.83445 0.82589   -17.29927 1.000 9.54025  ? 41  LEU A H    1 
ATOM   648  H  HA   . LEU A 1 41 ? -11.18375 1.07205   -15.27879 1.000 9.94424  ? 41  LEU A HA   1 
ATOM   649  H  HB2  . LEU A 1 41 ? -10.84569 2.00368   -17.89815 1.000 11.43914 ? 41  LEU A HB2  1 
ATOM   650  H  HB3  . LEU A 1 41 ? -9.69641  2.03682   -16.80113 1.000 11.43914 ? 41  LEU A HB3  1 
ATOM   651  H  HG   . LEU A 1 41 ? -10.76553 -0.25697  -17.99178 1.000 10.83042 ? 41  LEU A HG   1 
ATOM   652  H  HD11 . LEU A 1 41 ? -9.08251  1.01193   -19.20824 1.000 13.79510 ? 41  LEU A HD11 1 
ATOM   653  H  HD12 . LEU A 1 41 ? -8.66731  -0.50273  -18.96966 1.000 13.79510 ? 41  LEU A HD12 1 
ATOM   654  H  HD13 . LEU A 1 41 ? -8.06093  0.64146   -18.04952 1.000 13.79510 ? 41  LEU A HD13 1 
ATOM   655  H  HD21 . LEU A 1 41 ? -9.04671  -0.24082  -15.80952 1.000 11.97557 ? 41  LEU A HD21 1 
ATOM   656  H  HD22 . LEU A 1 41 ? -9.13452  -1.49290  -16.78322 1.000 11.97557 ? 41  LEU A HD22 1 
ATOM   657  H  HD23 . LEU A 1 41 ? -10.41543 -1.03210  -15.96442 1.000 11.97557 ? 41  LEU A HD23 1 
ATOM   658  N  N    . MET A 1 42 ? -12.69660 3.75409   -16.15083 1.000 8.40255  ? 42  MET A N    1 
ATOM   659  C  CA   A MET A 1 42 ? -13.01125 5.09460   -15.65949 0.949 8.88952  ? 42  MET A CA   1 
ATOM   660  C  C    . MET A 1 42 ? -13.58591 5.03233   -14.25857 1.000 8.38968  ? 42  MET A C    1 
ATOM   661  O  O    . MET A 1 42 ? -13.24195 5.84729   -13.39359 1.000 8.68202  ? 42  MET A O    1 
ATOM   662  C  CB   A MET A 1 42 ? -13.99929 5.78666   -16.58688 0.949 8.91470  ? 42  MET A CB   1 
ATOM   663  C  CG   A MET A 1 42 ? -13.39547 6.14936   -17.93896 0.949 12.10363 ? 42  MET A CG   1 
ATOM   664  S  SD   A MET A 1 42 ? -14.53675 6.81489   -19.13578 0.949 15.17631 ? 42  MET A SD   1 
ATOM   665  C  CE   A MET A 1 42 ? -15.26088 8.08492   -18.14922 0.949 10.53998 ? 42  MET A CE   1 
ATOM   666  H  H    . MET A 1 42 ? -13.15922 3.49824   -16.82915 1.000 10.08003 ? 42  MET A H    1 
ATOM   667  H  HA   . MET A 1 42 ? -12.19217 5.61421   -15.65567 1.000 10.66440 ? 42  MET A HA   1 
ATOM   668  H  HB2  A MET A 1 42 ? -14.75099 5.19413   -16.74422 0.949 10.69462 ? 42  MET A HB2  1 
ATOM   669  H  HB3  A MET A 1 42 ? -14.30476 6.60562   -16.16631 0.949 10.69462 ? 42  MET A HB3  1 
ATOM   670  H  HG2  A MET A 1 42 ? -12.70583 6.81643   -17.79641 0.949 14.52133 ? 42  MET A HG2  1 
ATOM   671  H  HG3  A MET A 1 42 ? -13.00760 5.34845   -18.32497 0.949 14.52133 ? 42  MET A HG3  1 
ATOM   672  H  HE1  A MET A 1 42 ? -15.88926 8.58662   -18.69174 0.949 12.64494 ? 42  MET A HE1  1 
ATOM   673  H  HE2  A MET A 1 42 ? -15.72255 7.67786   -17.39951 0.949 12.64494 ? 42  MET A HE2  1 
ATOM   674  H  HE3  A MET A 1 42 ? -14.55982 8.67248   -17.82647 0.949 12.64494 ? 42  MET A HE3  1 
ATOM   675  N  N    . LEU A 1 43 ? -14.46836 4.06288   -14.02005 1.000 9.46321  ? 43  LEU A N    1 
ATOM   676  C  CA   . LEU A 1 43 ? -15.02569 3.87854   -12.68577 1.000 10.86349 ? 43  LEU A CA   1 
ATOM   677  C  C    . LEU A 1 43 ? -13.91565 3.50366   -11.70567 1.000 7.82091  ? 43  LEU A C    1 
ATOM   678  O  O    . LEU A 1 43 ? -13.83784 4.04663   -10.59611 1.000 9.56226  ? 43  LEU A O    1 
ATOM   679  C  CB   . LEU A 1 43 ? -16.08883 2.77247   -12.76418 1.000 12.53130 ? 43  LEU A CB   1 
ATOM   680  C  CG   . LEU A 1 43 ? -16.98557 2.42293   -11.57190 1.000 16.20782 ? 43  LEU A CG   1 
ATOM   681  C  CD1  . LEU A 1 43 ? -16.18968 1.90726   -10.37529 1.000 23.66386 ? 43  LEU A CD1  1 
ATOM   682  C  CD2  . LEU A 1 43 ? -17.88484 3.57134   -11.18476 1.000 28.57016 ? 43  LEU A CD2  1 
ATOM   683  N  N    . CYS A 1 44 ? -13.03830 2.58528   -12.10686 1.000 8.38403  ? 44  CYS A N    1 
ATOM   684  C  CA   . CYS A 1 44 ? -11.87629 2.21820   -11.30471 1.000 9.39985  ? 44  CYS A CA   1 
ATOM   685  C  C    . CYS A 1 44 ? -11.08629 3.45080   -10.89445 1.000 8.36845  ? 44  CYS A C    1 
ATOM   686  O  O    . CYS A 1 44 ? -10.78654 3.64495   -9.71605  1.000 10.32194 ? 44  CYS A O    1 
ATOM   687  C  CB   . CYS A 1 44 ? -11.00411 1.24533   -12.11957 1.000 11.11876 ? 44  CYS A CB   1 
ATOM   688  S  SG   . CYS A 1 44 ? -9.45881  0.72168   -11.39912 1.000 12.13659 ? 44  CYS A SG   1 
ATOM   689  H  H    . CYS A 1 44 ? -13.09400 2.15460   -12.84916 1.000 10.05780 ? 44  CYS A H    1 
ATOM   690  H  HA   . CYS A 1 44 ? -12.16135 1.77257   -10.49166 1.000 11.27679 ? 44  CYS A HA   1 
ATOM   691  H  HB2  . CYS A 1 44 ? -11.52467 0.44261   -12.27939 1.000 13.33948 ? 44  CYS A HB2  1 
ATOM   692  H  HB3  . CYS A 1 44 ? -10.78880 1.67442   -12.96243 1.000 13.33948 ? 44  CYS A HB3  1 
ATOM   693  N  N    . LEU A 1 45 ? -10.74307 4.30097   -11.85860 1.000 9.19233  ? 45  LEU A N    1 
ATOM   694  C  CA   . LEU A 1 45 ? -9.93334  5.47654   -11.55753 1.000 9.32504  ? 45  LEU A CA   1 
ATOM   695  C  C    . LEU A 1 45 ? -10.61774 6.38753   -10.54056 1.000 8.78588  ? 45  LEU A C    1 
ATOM   696  O  O    . LEU A 1 45 ? -9.96515  6.92509   -9.63803  1.000 10.12544 ? 45  LEU A O    1 
ATOM   697  C  CB   . LEU A 1 45 ? -9.68723  6.25313   -12.85261 1.000 9.42425  ? 45  LEU A CB   1 
ATOM   698  C  CG   . LEU A 1 45 ? -8.71286  5.61808   -13.84294 1.000 9.66006  ? 45  LEU A CG   1 
ATOM   699  C  CD1  . LEU A 1 45 ? -8.78012  6.26299   -15.20349 1.000 10.27282 ? 45  LEU A CD1  1 
ATOM   700  C  CD2  . LEU A 1 45 ? -7.29250  5.69396   -13.29074 1.000 11.87028 ? 45  LEU A CD2  1 
ATOM   701  H  H    . LEU A 1 45 ? -10.96337 4.22144   -12.68609 1.000 11.02776 ? 45  LEU A H    1 
ATOM   702  H  HA   . LEU A 1 45 ? -9.08707  5.18749   -11.18179 1.000 11.18702 ? 45  LEU A HA   1 
ATOM   703  H  HB2  . LEU A 1 45 ? -10.53647 6.35357   -13.31043 1.000 11.30607 ? 45  LEU A HB2  1 
ATOM   704  H  HB3  . LEU A 1 45 ? -9.33116  7.12465   -12.61900 1.000 11.30607 ? 45  LEU A HB3  1 
ATOM   705  H  HG   . LEU A 1 45 ? -8.96339  4.68847   -13.96109 1.000 11.58904 ? 45  LEU A HG   1 
ATOM   706  H  HD11 . LEU A 1 45 ? -9.64742  6.07973   -15.59731 1.000 12.32435 ? 45  LEU A HD11 1 
ATOM   707  H  HD12 . LEU A 1 45 ? -8.07840  5.89449   -15.76268 1.000 12.32435 ? 45  LEU A HD12 1 
ATOM   708  H  HD13 . LEU A 1 45 ? -8.65681  7.22014   -15.10572 1.000 12.32435 ? 45  LEU A HD13 1 
ATOM   709  H  HD21 . LEU A 1 45 ? -7.03589  6.62557   -13.20619 1.000 14.24130 ? 45  LEU A HD21 1 
ATOM   710  H  HD22 . LEU A 1 45 ? -6.69149  5.23945   -13.90158 1.000 14.24130 ? 45  LEU A HD22 1 
ATOM   711  H  HD23 . LEU A 1 45 ? -7.26818  5.26397   -12.42159 1.000 14.24130 ? 45  LEU A HD23 1 
ATOM   712  N  N    . LYS A 1 46 ? -11.93016 6.58172   -10.67442 1.000 7.89945  ? 46  LYS A N    1 
ATOM   713  C  CA   . LYS A 1 46 ? -12.64982 7.47585   -9.77224  1.000 8.52873  ? 46  LYS A CA   1 
ATOM   714  C  C    . LYS A 1 46 ? -12.58903 7.00936   -8.32151  1.000 9.28712  ? 46  LYS A C    1 
ATOM   715  O  O    . LYS A 1 46 ? -12.50316 7.82868   -7.39755  1.000 11.89094 ? 46  LYS A O    1 
ATOM   716  C  CB   . LYS A 1 46 ? -14.09545 7.60913   -10.25986 1.000 9.87175  ? 46  LYS A CB   1 
ATOM   717  C  CG   . LYS A 1 46 ? -14.93140 8.53340   -9.39817  1.000 9.91681  ? 46  LYS A CG   1 
ATOM   718  C  CD   . LYS A 1 46 ? -16.28514 8.81705   -10.01396 1.000 11.74256 ? 46  LYS A CD   1 
ATOM   719  C  CE   . LYS A 1 46 ? -17.15353 9.62123   -9.06832  1.000 13.62503 ? 46  LYS A CE   1 
ATOM   720  N  NZ   . LYS A 1 46 ? -18.48828 9.88636   -9.67619  1.000 14.89793 ? 46  LYS A NZ   1 
ATOM   721  H  H    . LYS A 1 46 ? -12.42249 6.21089   -11.27417 1.000 9.47631  ? 46  LYS A H    1 
ATOM   722  H  HA   . LYS A 1 46 ? -12.23340 8.35172   -9.79079  1.000 10.23145 ? 46  LYS A HA   1 
ATOM   723  H  HB2  . LYS A 1 46 ? -14.09113 7.96461   -11.16237 1.000 11.84307 ? 46  LYS A HB2  1 
ATOM   724  H  HB3  . LYS A 1 46 ? -14.51231 6.73332   -10.25025 1.000 11.84307 ? 46  LYS A HB3  1 
ATOM   725  H  HG2  . LYS A 1 46 ? -15.07380 8.12019   -8.53221  1.000 11.89715 ? 46  LYS A HG2  1 
ATOM   726  H  HG3  . LYS A 1 46 ? -14.46547 9.37732   -9.29048  1.000 11.89715 ? 46  LYS A HG3  1 
ATOM   727  H  HD2  . LYS A 1 46 ? -16.16822 9.32609   -10.83133 1.000 14.08805 ? 46  LYS A HD2  1 
ATOM   728  H  HD3  . LYS A 1 46 ? -16.73474 7.97933   -10.20627 1.000 14.08805 ? 46  LYS A HD3  1 
ATOM   729  H  HE2  . LYS A 1 46 ? -17.28262 9.12465   -8.24513  1.000 16.34701 ? 46  LYS A HE2  1 
ATOM   730  H  HE3  . LYS A 1 46 ? -16.72625 10.47132  -8.87944  1.000 16.34701 ? 46  LYS A HE3  1 
ATOM   731  H  HZ1  . LYS A 1 46 ? -18.39114 10.32458  -10.44471 1.000 17.87449 ? 46  LYS A HZ1  1 
ATOM   732  H  HZ2  . LYS A 1 46 ? -18.98215 10.37882  -9.12332  1.000 17.87449 ? 46  LYS A HZ2  1 
ATOM   733  H  HZ3  . LYS A 1 46 ? -18.90937 9.11811   -9.83299  1.000 17.87449 ? 46  LYS A HZ3  1 
ATOM   734  N  N    . TYR A 1 47 ? -12.61907 5.70367   -8.09160  1.000 8.10744  ? 47  TYR A N    1 
ATOM   735  C  CA   . TYR A 1 47 ? -12.70595 5.18092   -6.73546  1.000 8.36916  ? 47  TYR A CA   1 
ATOM   736  C  C    . TYR A 1 47 ? -11.41320 4.55945   -6.22344  1.000 9.36973  ? 47  TYR A C    1 
ATOM   737  O  O    . TYR A 1 47 ? -11.30208 4.30719   -5.01744  1.000 10.52285 ? 47  TYR A O    1 
ATOM   738  C  CB   . TYR A 1 47 ? -13.86837 4.17998   -6.64812  1.000 8.74759  ? 47  TYR A CB   1 
ATOM   739  C  CG   . TYR A 1 47 ? -15.23115 4.83595   -6.85329  1.000 8.77499  ? 47  TYR A CG   1 
ATOM   740  C  CD1  . TYR A 1 47 ? -15.92524 5.41216   -5.78863  1.000 10.64835 ? 47  TYR A CD1  1 
ATOM   741  C  CD2  . TYR A 1 47 ? -15.80700 4.92031   -8.11954  1.000 9.43017  ? 47  TYR A CD2  1 
ATOM   742  C  CE1  . TYR A 1 47 ? -17.16017 6.03695   -5.97784  1.000 10.50219 ? 47  TYR A CE1  1 
ATOM   743  C  CE2  . TYR A 1 47 ? -17.04551 5.54396   -8.32435  1.000 9.99306  ? 47  TYR A CE2  1 
ATOM   744  C  CZ   . TYR A 1 47 ? -17.71314 6.09793   -7.24880  1.000 9.12351  ? 47  TYR A CZ   1 
ATOM   745  O  OH   . TYR A 1 47 ? -18.93336 6.70342   -7.42370  1.000 11.19061 ? 47  TYR A OH   1 
ATOM   746  H  H    . TYR A 1 47 ? -12.59039 5.10062   -8.70407  1.000 9.72590  ? 47  TYR A H    1 
ATOM   747  H  HA   . TYR A 1 47 ? -12.90405 5.90798   -6.12470  1.000 10.03996 ? 47  TYR A HA   1 
ATOM   748  H  HB2  . TYR A 1 47 ? -13.75457 3.50370   -7.33412  1.000 10.49408 ? 47  TYR A HB2  1 
ATOM   749  H  HB3  . TYR A 1 47 ? -13.86343 3.76656   -5.77064  1.000 10.49408 ? 47  TYR A HB3  1 
ATOM   750  H  HD1  . TYR A 1 47 ? -15.55780 5.37951   -4.93492  1.000 12.77499 ? 47  TYR A HD1  1 
ATOM   751  H  HD2  . TYR A 1 47 ? -15.35830 4.55362   -8.84694  1.000 11.31318 ? 47  TYR A HD2  1 
ATOM   752  H  HE1  . TYR A 1 47 ? -17.60995 6.41059   -5.25465  1.000 12.59960 ? 47  TYR A HE1  1 
ATOM   753  H  HE2  . TYR A 1 47 ? -17.41479 5.58455   -9.17692  1.000 11.98864 ? 47  TYR A HE2  1 
ATOM   754  H  HH   . TYR A 1 47 ? -18.87302 7.30961   -8.00205  0.000 13.42571 ? 47  TYR A HH   1 
ATOM   755  N  N    . GLU A 1 48 ? -10.41605 4.36555   -7.07763  1.000 9.01797  ? 48  GLU A N    1 
ATOM   756  C  CA   . GLU A 1 48 ? -9.19106  3.68165   -6.66494  1.000 9.81533  ? 48  GLU A CA   1 
ATOM   757  C  C    . GLU A 1 48 ? -8.48514  4.44532   -5.55184  1.000 10.64206 ? 48  GLU A C    1 
ATOM   758  O  O    . GLU A 1 48 ? -8.30009  5.66773   -5.62805  1.000 12.29436 ? 48  GLU A O    1 
ATOM   759  C  CB   . GLU A 1 48 ? -8.26735  3.55820   -7.87095  1.000 12.12114 ? 48  GLU A CB   1 
ATOM   760  C  CG   . GLU A 1 48 ? -6.96793  2.84308   -7.60721  1.000 14.31760 ? 48  GLU A CG   1 
ATOM   761  C  CD   . GLU A 1 48 ? -7.16601  1.44272   -7.10396  1.000 15.26499 ? 48  GLU A CD   1 
ATOM   762  O  OE1  . GLU A 1 48 ? -7.77562  0.62277   -7.83108  1.000 23.10809 ? 48  GLU A OE1  1 
ATOM   763  O  OE2  . GLU A 1 48 ? -6.69591  1.16429   -5.99298  1.000 17.39681 ? 48  GLU A OE2  1 
ATOM   764  H  H    . GLU A 1 48 ? -10.42043 4.61814   -7.89968  1.000 10.81854 ? 48  GLU A H    1 
ATOM   765  H  HA   . GLU A 1 48 ? -9.40958  2.79893   -6.32738  1.000 11.77537 ? 48  GLU A HA   1 
ATOM   766  H  HB2  . GLU A 1 48 ? -8.73357  3.06744   -8.56571  1.000 14.54234 ? 48  GLU A HB2  1 
ATOM   767  H  HB3  . GLU A 1 48 ? -8.05005  4.45030   -8.18374  1.000 14.54234 ? 48  GLU A HB3  1 
ATOM   768  H  HG2  . GLU A 1 48 ? -6.46014  2.79600   -8.43234  1.000 17.17810 ? 48  GLU A HG2  1 
ATOM   769  H  HG3  . GLU A 1 48 ? -6.46734  3.33434   -6.93716  1.000 17.17810 ? 48  GLU A HG3  1 
ATOM   770  N  N    . LYS A 1 49 ? -8.05445  3.70608   -4.52920  1.000 10.57644 ? 49  LYS A N    1 
ATOM   771  C  CA   . LYS A 1 49 ? -7.31066  4.29401   -3.42736  1.000 12.96600 ? 49  LYS A CA   1 
ATOM   772  C  C    . LYS A 1 49 ? -5.83145  3.93896   -3.42812  1.000 13.55383 ? 49  LYS A C    1 
ATOM   773  O  O    . LYS A 1 49 ? -5.06683  4.54778   -2.67266  1.000 16.77828 ? 49  LYS A O    1 
ATOM   774  C  CB   . LYS A 1 49 ? -7.94016  3.90455   -2.07990  1.000 15.44226 ? 49  LYS A CB   1 
ATOM   775  C  CG   . LYS A 1 49 ? -9.39933  4.32655   -1.94180  1.000 16.47999 ? 49  LYS A CG   1 
ATOM   776  C  CD   . LYS A 1 49 ? -9.59622  5.83156   -2.16613  1.000 20.23537 ? 49  LYS A CD   1 
ATOM   777  C  CE   . LYS A 1 49 ? -11.03906 6.25775   -1.92060  1.000 23.17093 ? 49  LYS A CE   1 
ATOM   778  N  NZ   . LYS A 1 49 ? -11.27945 7.68330   -2.29271  1.000 25.83392 ? 49  LYS A NZ   1 
ATOM   779  H  H    . LYS A 1 49 ? -8.18347  2.85907   -4.45492  1.000 12.68869 ? 49  LYS A H    1 
ATOM   780  H  HA   . LYS A 1 49 ? -7.37086  5.25933   -3.50106  1.000 15.55617 ? 49  LYS A HA   1 
ATOM   781  H  HB2  . LYS A 1 49 ? -7.89986  2.94019   -1.98354  1.000 18.52769 ? 49  LYS A HB2  1 
ATOM   782  H  HB3  . LYS A 1 49 ? -7.43941  4.33044   -1.36661  1.000 18.52769 ? 49  LYS A HB3  1 
ATOM   783  H  HG2  . LYS A 1 49 ? -9.93114  3.85196   -2.59971  1.000 19.77296 ? 49  LYS A HG2  1 
ATOM   784  H  HG3  . LYS A 1 49 ? -9.70897  4.11234   -1.04785  1.000 19.77296 ? 49  LYS A HG3  1 
ATOM   785  H  HD2  . LYS A 1 49 ? -9.02630  6.32349   -1.55449  1.000 24.27941 ? 49  LYS A HD2  1 
ATOM   786  H  HD3  . LYS A 1 49 ? -9.36679  6.05116   -3.08267  1.000 24.27941 ? 49  LYS A HD3  1 
ATOM   787  H  HE2  . LYS A 1 49 ? -11.62974 5.70303   -2.45379  1.000 27.80208 ? 49  LYS A HE2  1 
ATOM   788  H  HE3  . LYS A 1 49 ? -11.24587 6.15279   -0.97873  1.000 27.80208 ? 49  LYS A HE3  1 
ATOM   789  H  HZ1  . LYS A 1 49 ? -10.61311 8.19230   -1.99434  1.000 30.99768 ? 49  LYS A HZ1  1 
ATOM   790  H  HZ2  . LYS A 1 49 ? -12.04277 7.96706   -1.93365  1.000 30.99768 ? 49  LYS A HZ2  1 
ATOM   791  H  HZ3  . LYS A 1 49 ? -11.32951 7.76260   -3.17775  1.000 30.99768 ? 49  LYS A HZ3  1 
ATOM   792  N  N    . ASN A 1 50 ? -5.40243  2.97776   -4.22806  1.000 12.96534 ? 50  ASN A N    1 
ATOM   793  C  CA   . ASN A 1 50 ? -3.98035  2.66840   -4.30633  1.000 12.58549 ? 50  ASN A CA   1 
ATOM   794  C  C    . ASN A 1 50 ? -3.32505  3.55112   -5.36248  1.000 11.15900 ? 50  ASN A C    1 
ATOM   795  O  O    . ASN A 1 50 ? -3.68212  3.44761   -6.54402  1.000 11.51920 ? 50  ASN A O    1 
ATOM   796  C  CB   . ASN A 1 50 ? -3.75527  1.21736   -4.65088  1.000 15.60865 ? 50  ASN A CB   1 
ATOM   797  C  CG   . ASN A 1 50 ? -2.28768  0.85880   -4.59656  1.000 18.77060 ? 50  ASN A CG   1 
ATOM   798  O  OD1  . ASN A 1 50 ? -1.51277  1.25791   -5.43852  1.000 16.72573 ? 50  ASN A OD1  1 
ATOM   799  N  ND2  . ASN A 1 50 ? -1.88682  0.16934   -3.53987  1.000 25.55352 ? 50  ASN A ND2  1 
ATOM   800  H  H    . ASN A 1 50 ? -5.90599  2.49454   -4.73058  1.000 15.55538 ? 50  ASN A H    1 
ATOM   801  H  HA   . ASN A 1 50 ? -3.56749  2.84440   -3.44640  1.000 15.09956 ? 50  ASN A HA   1 
ATOM   802  H  HB2  . ASN A 1 50 ? -4.23009  0.65889   -4.01562  1.000 18.72736 ? 50  ASN A HB2  1 
ATOM   803  H  HB3  . ASN A 1 50 ? -4.07862  1.04656   -5.54930  1.000 18.72736 ? 50  ASN A HB3  1 
ATOM   804  H  HD21 . ASN A 1 50 ? -2.45210  -0.05057  -2.93019  1.000 30.66119 ? 50  ASN A HD21 1 
ATOM   805  H  HD22 . ASN A 1 50 ? -1.06115  -0.05863  -3.46310  1.000 30.66119 ? 50  ASN A HD22 1 
ATOM   806  N  N    . PRO A 1 51 ? -2.38262  4.42341   -4.99574  1.000 12.37618 ? 51  PRO A N    1 
ATOM   807  C  CA   . PRO A 1 51 ? -1.84280  5.38209   -5.98527  1.000 12.72101 ? 51  PRO A CA   1 
ATOM   808  C  C    . PRO A 1 51 ? -1.07908  4.74510   -7.13945  1.000 10.99829 ? 51  PRO A C    1 
ATOM   809  O  O    . PRO A 1 51 ? -1.10754  5.28009   -8.25877  1.000 10.24964 ? 51  PRO A O    1 
ATOM   810  C  CB   . PRO A 1 51 ? -0.93742  6.29459   -5.13744  1.000 14.88918 ? 51  PRO A CB   1 
ATOM   811  C  CG   . PRO A 1 51 ? -0.52082  5.41702   -3.99014  1.000 17.07669 ? 51  PRO A CG   1 
ATOM   812  C  CD   . PRO A 1 51 ? -1.70966  4.53876   -3.68371  1.000 15.41767 ? 51  PRO A CD   1 
ATOM   813  H  HA   . PRO A 1 51 ? -2.57551  5.90099   -6.35239  1.000 15.26218 ? 51  PRO A HA   1 
ATOM   814  H  HB2  . PRO A 1 51 ? -0.17039  6.58210   -5.65698  1.000 17.86399 ? 51  PRO A HB2  1 
ATOM   815  H  HB3  . PRO A 1 51 ? -1.43597  7.06654   -4.82688  1.000 17.86399 ? 51  PRO A HB3  1 
ATOM   816  H  HG2  . PRO A 1 51 ? 0.24391   4.88020   -4.25076  1.000 20.48900 ? 51  PRO A HG2  1 
ATOM   817  H  HG3  . PRO A 1 51 ? -0.29437  5.96709   -3.22394  1.000 20.48900 ? 51  PRO A HG3  1 
ATOM   818  H  HD2  . PRO A 1 51 ? -1.42450  3.66896   -3.36273  1.000 18.49818 ? 51  PRO A HD2  1 
ATOM   819  H  HD3  . PRO A 1 51 ? -2.29182  4.95864   -3.03126  1.000 18.49818 ? 51  PRO A HD3  1 
ATOM   820  N  N    . LYS A 1 52 ? -0.37763  3.63445   -6.90365  1.000 11.69223 ? 52  LYS A N    1 
ATOM   821  C  CA   . LYS A 1 52 ? 0.36479   2.98105   -7.97456  1.000 11.86958 ? 52  LYS A CA   1 
ATOM   822  C  C    . LYS A 1 52 ? -0.58475  2.33624   -8.96042  1.000 11.61183 ? 52  LYS A C    1 
ATOM   823  O  O    . LYS A 1 52 ? -0.42430  2.48466   -10.17431 1.000 11.43318 ? 52  LYS A O    1 
ATOM   824  C  CB   . LYS A 1 52 ? 1.28113   1.91156   -7.39103  1.000 12.94102 ? 52  LYS A CB   1 
ATOM   825  C  CG   . LYS A 1 52 ? 2.25429   2.44681   -6.37456  1.000 13.26189 ? 52  LYS A CG   1 
ATOM   826  C  CD   . LYS A 1 52 ? 3.15269   1.35457   -5.79516  1.000 11.83506 ? 52  LYS A CD   1 
ATOM   827  C  CE   . LYS A 1 52 ? 3.83239   1.85866   -4.54670  1.000 11.50246 ? 52  LYS A CE   1 
ATOM   828  N  NZ   . LYS A 1 52 ? 4.51742   0.75746   -3.82939  1.000 11.31067 ? 52  LYS A NZ   1 
ATOM   829  H  H    . LYS A 1 52 ? -0.31730  3.24476   -6.13938  1.000 14.02765 ? 52  LYS A H    1 
ATOM   830  H  HA   . LYS A 1 52 ? 0.90389   3.64517   -8.43197  1.000 14.24047 ? 52  LYS A HA   1 
ATOM   831  H  HB2  . LYS A 1 52 ? 0.73712   1.23677   -6.95560  1.000 15.52619 ? 52  LYS A HB2  1 
ATOM   832  H  HB3  . LYS A 1 52 ? 1.79310   1.51111   -8.11104  1.000 15.52619 ? 52  LYS A HB3  1 
ATOM   833  H  HG2  . LYS A 1 52 ? 2.82178   3.11055   -6.79682  1.000 15.91124 ? 52  LYS A HG2  1 
ATOM   834  H  HG3  . LYS A 1 52 ? 1.76042   2.84950   -5.64323  1.000 15.91124 ? 52  LYS A HG3  1 
ATOM   835  H  HD2  . LYS A 1 52 ? 2.61837   0.57777   -5.56716  1.000 14.19904 ? 52  LYS A HD2  1 
ATOM   836  H  HD3  . LYS A 1 52 ? 3.83207   1.11128   -6.44335  1.000 14.19904 ? 52  LYS A HD3  1 
ATOM   837  H  HE2  . LYS A 1 52 ? 4.49382   2.52632   -4.78678  1.000 13.79992 ? 52  LYS A HE2  1 
ATOM   838  H  HE3  . LYS A 1 52 ? 3.17028   2.24606   -3.95304  1.000 13.79992 ? 52  LYS A HE3  1 
ATOM   839  H  HZ1  . LYS A 1 52 ? 3.93177   0.12190   -3.61689  1.000 13.56977 ? 52  LYS A HZ1  1 
ATOM   840  H  HZ2  . LYS A 1 52 ? 4.89164   1.06653   -3.08338  1.000 13.56977 ? 52  LYS A HZ2  1 
ATOM   841  H  HZ3  . LYS A 1 52 ? 5.15096   0.40544   -4.34593  1.000 13.56977 ? 52  LYS A HZ3  1 
ATOM   842  N  N    . SER A 1 53 ? -1.58352  1.60671   -8.44591  1.000 12.64157 ? 53  SER A N    1 
ATOM   843  C  CA   . SER A 1 53 ? -2.61231  1.03492   -9.30674  1.000 11.38912 ? 53  SER A CA   1 
ATOM   844  C  C    . SER A 1 53 ? -3.30240  2.11929   -10.11731 1.000 9.72025  ? 53  SER A C    1 
ATOM   845  O  O    . SER A 1 53 ? -3.55455  1.95022   -11.31183 1.000 10.30545 ? 53  SER A O    1 
ATOM   846  C  CB   . SER A 1 53 ? -3.65722  0.31068   -8.44928  1.000 14.02457 ? 53  SER A CB   1 
ATOM   847  O  OG   . SER A 1 53 ? -3.09005  -0.76833  -7.72517  1.000 17.67257 ? 53  SER A OG   1 
ATOM   848  H  H    . SER A 1 53 ? -1.68343  1.43236   -7.60971  1.000 15.16685 ? 53  SER A H    1 
ATOM   849  H  HA   . SER A 1 53 ? -2.19751  0.39959   -9.91106  1.000 13.66392 ? 53  SER A HA   1 
ATOM   850  H  HB2  . SER A 1 53 ? -4.03644  0.94352   -7.81950  1.000 16.82646 ? 53  SER A HB2  1 
ATOM   851  H  HB3  . SER A 1 53 ? -4.35208  -0.03537  -9.03093  1.000 16.82646 ? 53  SER A HB3  1 
ATOM   852  H  HG   . SER A 1 53 ? -3.68337  -1.15402  -7.27261  0.000 21.20405 ? 53  SER A HG   1 
ATOM   853  N  N    . LYS A 1 54 ? -3.63674  3.23839   -9.48036  1.000 10.28942 ? 54  LYS A N    1 
ATOM   854  C  CA   . LYS A 1 54 ? -4.30288  4.31653   -10.20066 1.000 10.19148 ? 54  LYS A CA   1 
ATOM   855  C  C    . LYS A 1 54 ? -3.43854  4.83855   -11.33324 1.000 9.44343  ? 54  LYS A C    1 
ATOM   856  O  O    . LYS A 1 54 ? -3.93088  5.03197   -12.45183 1.000 9.46790  ? 54  LYS A O    1 
ATOM   857  C  CB   . LYS A 1 54 ? -4.67290  5.43236   -9.22971  1.000 10.04503 ? 54  LYS A CB   1 
ATOM   858  C  CG   . LYS A 1 54 ? -5.67455  6.43963   -9.77746  1.000 11.37244 ? 54  LYS A CG   1 
ATOM   859  C  CD   . LYS A 1 54 ? -5.75522  7.71345   -8.93072  1.000 16.38159 ? 54  LYS A CD   1 
ATOM   860  C  CE   . LYS A 1 54 ? -6.25957  7.43731   -7.53914  1.000 19.89335 ? 54  LYS A CE   1 
ATOM   861  N  NZ   . LYS A 1 54 ? -6.45711  8.70577   -6.79219  1.000 21.90378 ? 54  LYS A NZ   1 
ATOM   862  H  H    . LYS A 1 54 ? -3.49190  3.39554   -8.64734  1.000 12.34428 ? 54  LYS A H    1 
ATOM   863  H  HA   . LYS A 1 54 ? -5.12347  3.97935   -10.59289 1.000 12.22675 ? 54  LYS A HA   1 
ATOM   864  H  HB2  . LYS A 1 54 ? -5.06229  5.03423   -8.43550  1.000 12.05101 ? 54  LYS A HB2  1 
ATOM   865  H  HB3  . LYS A 1 54 ? -3.86666  5.91841   -8.99596  1.000 12.05101 ? 54  LYS A HB3  1 
ATOM   866  H  HG2  . LYS A 1 54 ? -5.40998  6.69299   -10.67563 1.000 13.64390 ? 54  LYS A HG2  1 
ATOM   867  H  HG3  . LYS A 1 54 ? -6.55545  6.03383   -9.79313  1.000 13.64390 ? 54  LYS A HG3  1 
ATOM   868  H  HD2  . LYS A 1 54 ? -4.87097  8.10578   -8.85955  1.000 19.65488 ? 54  LYS A HD2  1 
ATOM   869  H  HD3  . LYS A 1 54 ? -6.36304  8.33988   -9.35386  1.000 19.65488 ? 54  LYS A HD3  1 
ATOM   870  H  HE2  . LYS A 1 54 ? -7.10961  6.97265   -7.58848  1.000 23.86899 ? 54  LYS A HE2  1 
ATOM   871  H  HE3  . LYS A 1 54 ? -5.61246  6.89532   -7.06122  1.000 23.86899 ? 54  LYS A HE3  1 
ATOM   872  H  HZ1  . LYS A 1 54 ? -5.66892  9.07147   -6.59952  1.000 26.28151 ? 54  LYS A HZ1  1 
ATOM   873  H  HZ2  . LYS A 1 54 ? -6.89516  8.54739   -6.03382  1.000 26.28151 ? 54  LYS A HZ2  1 
ATOM   874  H  HZ3  . LYS A 1 54 ? -6.92869  9.27834   -7.28399  1.000 26.28151 ? 54  LYS A HZ3  1 
ATOM   875  N  N    . ASP A 1 55 ? -2.14283  5.05109   -11.07470 1.000 9.22144  ? 55  ASP A N    1 
ATOM   876  C  CA   . ASP A 1 55 ? -1.25546  5.53653   -12.12977 1.000 8.87621  ? 55  ASP A CA   1 
ATOM   877  C  C    . ASP A 1 55 ? -1.17424  4.54401   -13.29020 1.000 9.89080  ? 55  ASP A C    1 
ATOM   878  O  O    . ASP A 1 55 ? -1.20966  4.93888   -14.46216 1.000 9.80540  ? 55  ASP A O    1 
ATOM   879  C  CB   . ASP A 1 55 ? 0.15112   5.80562   -11.57680 1.000 9.76309  ? 55  ASP A CB   1 
ATOM   880  C  CG   . ASP A 1 55 ? 0.24251   7.09663   -10.76219 1.000 10.54076 ? 55  ASP A CG   1 
ATOM   881  O  OD1  . ASP A 1 55 ? -0.58153  8.00704   -10.94932 1.000 11.95000 ? 55  ASP A OD1  1 
ATOM   882  O  OD2  . ASP A 1 55 ? 1.19157   7.20803   -9.96416  1.000 11.12997 ? 55  ASP A OD2  1 
ATOM   883  H  H    . ASP A 1 55 ? -1.76328  4.92425   -10.31348 1.000 11.06269 ? 55  ASP A H    1 
ATOM   884  H  HA   . ASP A 1 55 ? -1.61541  6.37413   -12.46106 1.000 10.64842 ? 55  ASP A HA   1 
ATOM   885  H  HB2  . ASP A 1 55 ? 0.40763   5.06998   -10.99892 1.000 11.71268 ? 55  ASP A HB2  1 
ATOM   886  H  HB3  . ASP A 1 55 ? 0.77206   5.87687   -12.31859 1.000 11.71268 ? 55  ASP A HB3  1 
ATOM   887  N  N    . LEU A 1 56 ? -1.05606  3.24692   -12.99048 1.000 9.36312  ? 56  LEU A N    1 
ATOM   888  C  CA   . LEU A 1 56 ? -0.96478  2.25224   -14.06102 1.000 10.37903 ? 56  LEU A CA   1 
ATOM   889  C  C    . LEU A 1 56 ? -2.26128  2.17848   -14.85269 1.000 10.30110 ? 56  LEU A C    1 
ATOM   890  O  O    . LEU A 1 56 ? -2.23826  2.14919   -16.08626 1.000 10.33344 ? 56  LEU A O    1 
ATOM   891  C  CB   . LEU A 1 56 ? -0.60336  0.87612   -13.51276 1.000 13.52009 ? 56  LEU A CB   1 
ATOM   892  C  CG   . LEU A 1 56 ? -0.47080  -0.24320  -14.55011 1.000 16.94375 ? 56  LEU A CG   1 
ATOM   893  C  CD1  . LEU A 1 56 ? 0.63962   0.08798   -15.53372 1.000 17.69669 ? 56  LEU A CD1  1 
ATOM   894  C  CD2  . LEU A 1 56 ? -0.24096  -1.57872  -13.86947 1.000 18.48881 ? 56  LEU A CD2  1 
ATOM   895  H  H    . LEU A 1 56 ? -1.02702  2.92414   -12.19388 1.000 11.23272 ? 56  LEU A H    1 
ATOM   896  H  HA   . LEU A 1 56 ? -0.24854  2.52238   -14.65677 1.000 12.45181 ? 56  LEU A HA   1 
ATOM   897  H  HB2  . LEU A 1 56 ? 0.24899   0.94671   -13.05515 1.000 16.22107 ? 56  LEU A HB2  1 
ATOM   898  H  HB3  . LEU A 1 56 ? -1.29459  0.60823   -12.88718 1.000 16.22107 ? 56  LEU A HB3  1 
ATOM   899  H  HG   . LEU A 1 56 ? -1.29573  -0.32142  -15.05436 1.000 20.32947 ? 56  LEU A HG   1 
ATOM   900  H  HD11 . LEU A 1 56 ? 0.36550   0.84352   -16.07679 1.000 21.23300 ? 56  LEU A HD11 1 
ATOM   901  H  HD12 . LEU A 1 56 ? 0.80180   -0.68379  -16.09848 1.000 21.23300 ? 56  LEU A HD12 1 
ATOM   902  H  HD13 . LEU A 1 56 ? 1.44371   0.31065   -15.03898 1.000 21.23300 ? 56  LEU A HD13 1 
ATOM   903  H  HD21 . LEU A 1 56 ? 0.58203   -1.53498  -13.35794 1.000 22.18354 ? 56  LEU A HD21 1 
ATOM   904  H  HD22 . LEU A 1 56 ? -0.17353  -2.27052  -14.54605 1.000 22.18354 ? 56  LEU A HD22 1 
ATOM   905  H  HD23 . LEU A 1 56 ? -0.98781  -1.76502  -13.27920 1.000 22.18354 ? 56  LEU A HD23 1 
ATOM   906  N  N    . ILE A 1 57 ? -3.40435  2.17056   -14.16365 1.000 9.06583  ? 57  ILE A N    1 
ATOM   907  C  CA   . ILE A 1 57 ? -4.68509  2.06680   -14.85851 1.000 8.83081  ? 57  ILE A CA   1 
ATOM   908  C  C    . ILE A 1 57 ? -4.93473  3.30447   -15.70812 1.000 7.74775  ? 57  ILE A C    1 
ATOM   909  O  O    . ILE A 1 57 ? -5.46915  3.19745   -16.81655 1.000 9.55459  ? 57  ILE A O    1 
ATOM   910  C  CB   . ILE A 1 57 ? -5.81898  1.78436   -13.85740 1.000 10.96322 ? 57  ILE A CB   1 
ATOM   911  C  CG1  . ILE A 1 57 ? -5.64907  0.38302   -13.25204 1.000 14.37144 ? 57  ILE A CG1  1 
ATOM   912  C  CG2  . ILE A 1 57 ? -7.18365  1.92681   -14.52329 1.000 12.78419 ? 57  ILE A CG2  1 
ATOM   913  C  CD1  . ILE A 1 57 ? -6.18475  -0.74389  -14.10622 1.000 18.96497 ? 57  ILE A CD1  1 
ATOM   914  H  H    . ILE A 1 57 ? -3.46406  2.22320   -13.30734 1.000 10.87597 ? 57  ILE A H    1 
ATOM   915  H  HA   . ILE A 1 57 ? -4.65454  1.31033   -15.46491 1.000 10.59394 ? 57  ILE A HA   1 
ATOM   916  H  HB   . ILE A 1 57 ? -5.76730  2.43966   -13.14409 1.000 13.15284 ? 57  ILE A HB   1 
ATOM   917  H  HG12 . ILE A 1 57 ? -4.70300  0.21990   -13.11331 1.000 17.24269 ? 57  ILE A HG12 1 
ATOM   918  H  HG13 . ILE A 1 57 ? -6.11848  0.35484   -12.40365 1.000 17.24269 ? 57  ILE A HG13 1 
ATOM   919  H  HG21 . ILE A 1 57 ? -7.36844  2.86822   -14.66650 1.000 15.33800 ? 57  ILE A HG21 1 
ATOM   920  H  HG22 . ILE A 1 57 ? -7.85950  1.54146   -13.94395 1.000 15.33800 ? 57  ILE A HG22 1 
ATOM   921  H  HG23 . ILE A 1 57 ? -7.17075  1.45925   -15.37307 1.000 15.33800 ? 57  ILE A HG23 1 
ATOM   922  H  HD11 . ILE A 1 57 ? -7.15372  -0.74075  -14.06174 1.000 22.75493 ? 57  ILE A HD11 1 
ATOM   923  H  HD12 . ILE A 1 57 ? -5.84090  -1.58616  -13.76969 1.000 22.75493 ? 57  ILE A HD12 1 
ATOM   924  H  HD13 . ILE A 1 57 ? -5.89523  -0.61081  -15.02239 1.000 22.75493 ? 57  ILE A HD13 1 
ATOM   925  N  N    . ARG A 1 58 ? -4.49987  4.48182   -15.25010 1.000 8.00620  ? 58  ARG A N    1 
ATOM   926  C  CA   . ARG A 1 58 ? -4.68578  5.69013   -16.04318 1.000 8.22799  ? 58  ARG A CA   1 
ATOM   927  C  C    . ARG A 1 58 ? -3.91357  5.58187   -17.35388 1.000 7.71368  ? 58  ARG A C    1 
ATOM   928  O  O    . ARG A 1 58 ? -4.41145  5.96293   -18.42166 1.000 9.01655  ? 58  ARG A O    1 
ATOM   929  C  CB   . ARG A 1 58 ? -4.22330  6.92155   -15.26358 1.000 8.85286  ? 58  ARG A CB   1 
ATOM   930  C  CG   . ARG A 1 58 ? -4.85278  8.21688   -15.76741 1.000 9.06525  ? 58  ARG A CG   1 
ATOM   931  C  CD   . ARG A 1 58 ? -4.27932  9.45498   -15.06759 1.000 12.09970 ? 58  ARG A CD   1 
ATOM   932  N  NE   . ARG A 1 58 ? -4.43245  9.44266   -13.62041 1.000 12.73005 ? 58  ARG A NE   1 
ATOM   933  C  CZ   . ARG A 1 58 ? -3.45202  9.20128   -12.75861 1.000 11.86155 ? 58  ARG A CZ   1 
ATOM   934  N  NH1  . ARG A 1 58 ? -2.20371  8.98236   -13.15789 1.000 13.36539 ? 58  ARG A NH1  1 
ATOM   935  N  NH2  . ARG A 1 58 ? -3.73076  9.15663   -11.46638 1.000 14.76260 ? 58  ARG A NH2  1 
ATOM   936  H  H    . ARG A 1 58 ? -4.10200  4.60251   -14.49728 1.000 9.60442  ? 58  ARG A H    1 
ATOM   937  H  HA   . ARG A 1 58 ? -5.63035  5.79986   -16.23463 1.000 9.87056  ? 58  ARG A HA   1 
ATOM   938  H  HB2  . ARG A 1 58 ? -4.46677  6.81335   -14.33088 1.000 10.62040 ? 58  ARG A HB2  1 
ATOM   939  H  HB3  . ARG A 1 58 ? -3.26049  7.00406   -15.34770 1.000 10.62040 ? 58  ARG A HB3  1 
ATOM   940  H  HG2  . ARG A 1 58 ? -4.68412  8.30341   -16.71871 1.000 10.87527 ? 58  ARG A HG2  1 
ATOM   941  H  HG3  . ARG A 1 58 ? -5.80804  8.19207   -15.60075 1.000 10.87527 ? 58  ARG A HG3  1 
ATOM   942  H  HD2  . ARG A 1 58 ? -3.33080  9.51141   -15.26260 1.000 14.51661 ? 58  ARG A HD2  1 
ATOM   943  H  HD3  . ARG A 1 58 ? -4.73478  10.24216  -15.40494 1.000 14.51661 ? 58  ARG A HD3  1 
ATOM   944  H  HE   . ARG A 1 58 ? -5.21440  9.60333   -13.30049 1.000 15.27303 ? 58  ARG A HE   1 
ATOM   945  H  HH11 . ARG A 1 58 ? -2.01197  8.99463   -13.99615 1.000 16.03544 ? 58  ARG A HH11 1 
ATOM   946  H  HH12 . ARG A 1 58 ? -1.58753  8.82839   -12.57805 1.000 16.03544 ? 58  ARG A HH12 1 
ATOM   947  H  HH21 . ARG A 1 58 ? -4.53726  9.28302   -11.19584 1.000 17.71209 ? 58  ARG A HH21 1 
ATOM   948  H  HH22 . ARG A 1 58 ? -3.10550  9.00121   -10.89673 1.000 17.71209 ? 58  ARG A HH22 1 
ATOM   949  N  N    . ALA A 1 59 ? -2.68192  5.07818   -17.28722 1.000 8.53516  ? 59  ALA A N    1 
ATOM   950  C  CA   . ALA A 1 59 ? -1.87959  4.90158   -18.49483 1.000 9.09592  ? 59  ALA A CA   1 
ATOM   951  C  C    . ALA A 1 59 ? -2.52030  3.89561   -19.44946 1.000 7.73382  ? 59  ALA A C    1 
ATOM   952  O  O    . ALA A 1 59 ? -2.52010  4.09476   -20.67067 1.000 8.38595  ? 59  ALA A O    1 
ATOM   953  C  CB   . ALA A 1 59 ? -0.46514  4.46294   -18.11011 1.000 10.63422 ? 59  ALA A CB   1 
ATOM   954  H  H    . ALA A 1 59 ? -2.29057  4.83284   -16.56179 1.000 10.23917 ? 59  ALA A H    1 
ATOM   955  H  HA   . ALA A 1 59 ? -1.81889  5.74936   -18.96225 1.000 10.91208 ? 59  ALA A HA   1 
ATOM   956  H  HB1  . ALA A 1 59 ? 0.06652   4.36897   -18.91597 1.000 12.75803 ? 59  ALA A HB1  1 
ATOM   957  H  HB2  . ALA A 1 59 ? -0.07252  5.13506   -17.53131 1.000 12.75803 ? 59  ALA A HB2  1 
ATOM   958  H  HB3  . ALA A 1 59 ? -0.51359  3.61320   -17.64483 1.000 12.75803 ? 59  ALA A HB3  1 
ATOM   959  N  N    . LYS A 1 60 ? -3.09839  2.81875   -18.91635 1.000 8.89748  ? 60  LYS A N    1 
ATOM   960  C  CA   . LYS A 1 60 ? -3.77960  1.86228   -19.77976 1.000 8.68891  ? 60  LYS A CA   1 
ATOM   961  C  C    . LYS A 1 60 ? -5.04834  2.47683   -20.36904 1.000 7.36450  ? 60  LYS A C    1 
ATOM   962  O  O    . LYS A 1 60 ? -5.38100  2.24376   -21.53856 1.000 8.78388  ? 60  LYS A O    1 
ATOM   963  C  CB   . LYS A 1 60 ? -4.09470  0.58191   -19.00537 1.000 9.55549  ? 60  LYS A CB   1 
ATOM   964  C  CG   . LYS A 1 60 ? -2.87873  -0.12710  -18.45290 1.000 11.72845 ? 60  LYS A CG   1 
ATOM   965  C  CD   . LYS A 1 60 ? -1.83526  -0.49346  -19.50537 1.000 13.15486 ? 60  LYS A CD   1 
ATOM   966  C  CE   . LYS A 1 60 ? -0.74815  0.57577   -19.60801 1.000 14.78594 ? 60  LYS A CE   1 
ATOM   967  N  NZ   . LYS A 1 60 ? 0.29682   0.23340   -20.62240 1.000 15.52720 ? 60  LYS A NZ   1 
ATOM   968  H  H    . LYS A 1 60 ? -3.10928  2.62505   -18.07852 1.000 10.67395 ? 60  LYS A H    1 
ATOM   969  H  HA   . LYS A 1 60 ? -3.19358  1.61871   -20.51335 1.000 10.42366 ? 60  LYS A HA   1 
ATOM   970  H  HB2  . LYS A 1 60 ? -4.66923  0.80634   -18.25674 1.000 11.46356 ? 60  LYS A HB2  1 
ATOM   971  H  HB3  . LYS A 1 60 ? -4.54981  -0.03517  -19.59951 1.000 11.46356 ? 60  LYS A HB3  1 
ATOM   972  H  HG2  . LYS A 1 60 ? -2.44962  0.45181   -17.80357 1.000 14.07111 ? 60  LYS A HG2  1 
ATOM   973  H  HG3  . LYS A 1 60 ? -3.16567  -0.94937  -18.02576 1.000 14.07111 ? 60  LYS A HG3  1 
ATOM   974  H  HD2  . LYS A 1 60 ? -1.41529  -1.33364  -19.26325 1.000 15.78280 ? 60  LYS A HD2  1 
ATOM   975  H  HD3  . LYS A 1 60 ? -2.26594  -0.57508  -20.37067 1.000 15.78280 ? 60  LYS A HD3  1 
ATOM   976  H  HE2  . LYS A 1 60 ? -1.15446  1.41766   -19.86692 1.000 17.74010 ? 60  LYS A HE2  1 
ATOM   977  H  HE3  . LYS A 1 60 ? -0.31218  0.66886   -18.74652 1.000 17.74010 ? 60  LYS A HE3  1 
ATOM   978  H  HZ1  . LYS A 1 60 ? 0.72214   -0.51055  -20.38210 1.000 18.62961 ? 60  LYS A HZ1  1 
ATOM   979  H  HZ2  . LYS A 1 60 ? 0.88755   0.89599   -20.68643 1.000 18.62961 ? 60  LYS A HZ2  1 
ATOM   980  H  HZ3  . LYS A 1 60 ? -0.08139  0.10576   -21.41787 1.000 18.62961 ? 60  LYS A HZ3  1 
ATOM   981  N  N    . PHE A 1 61 ? -5.76768  3.27061   -19.57371 1.000 7.97298  ? 61  PHE A N    1 
ATOM   982  C  CA   . PHE A 1 61 ? -6.95605  3.92245   -20.08129 1.000 9.69543  ? 61  PHE A CA   1 
ATOM   983  C  C    . PHE A 1 61 ? -6.62807  4.76014   -21.31122 1.000 8.63574  ? 61  PHE A C    1 
ATOM   984  O  O    . PHE A 1 61 ? -7.29992  4.67055   -22.34143 1.000 9.24191  ? 61  PHE A O    1 
ATOM   985  C  CB   . PHE A 1 61 ? -7.60892  4.78904   -19.00274 1.000 8.63644  ? 61  PHE A CB   1 
ATOM   986  C  CG   . PHE A 1 61 ? -8.74566  5.59879   -19.54659 1.000 8.51616  ? 61  PHE A CG   1 
ATOM   987  C  CD1  . PHE A 1 61 ? -10.00186 5.02189   -19.73255 1.000 10.63644 ? 61  PHE A CD1  1 
ATOM   988  C  CD2  . PHE A 1 61 ? -8.54538  6.88947   -19.98085 1.000 11.48644 ? 61  PHE A CD2  1 
ATOM   989  C  CE1  . PHE A 1 61 ? -11.02356 5.74901   -20.30597 1.000 11.47036 ? 61  PHE A CE1  1 
ATOM   990  C  CE2  . PHE A 1 61 ? -9.57469  7.62343   -20.53818 1.000 11.53029 ? 61  PHE A CE2  1 
ATOM   991  C  CZ   . PHE A 1 61 ? -10.80991 7.04840   -20.70468 1.000 12.73828 ? 61  PHE A CZ   1 
ATOM   992  H  H    . PHE A 1 61 ? -5.58599  3.44091   -18.75056 1.000 9.56454  ? 61  PHE A H    1 
ATOM   993  H  HA   . PHE A 1 61 ? -7.59613  3.23759   -20.33061 1.000 11.63149 ? 61  PHE A HA   1 
ATOM   994  H  HB2  . PHE A 1 61 ? -7.95306  4.21684   -18.29914 1.000 10.36070 ? 61  PHE A HB2  1 
ATOM   995  H  HB3  . PHE A 1 61 ? -6.94756  5.39915   -18.64045 1.000 10.36070 ? 61  PHE A HB3  1 
ATOM   996  H  HD1  . PHE A 1 61 ? -10.15106 4.14271   -19.46857 1.000 12.76070 ? 61  PHE A HD1  1 
ATOM   997  H  HD2  . PHE A 1 61 ? -7.70273  7.27408   -19.89768 1.000 13.78070 ? 61  PHE A HD2  1 
ATOM   998  H  HE1  . PHE A 1 61 ? -11.85996 5.35977   -20.42360 1.000 13.76141 ? 61  PHE A HE1  1 
ATOM   999  H  HE2  . PHE A 1 61 ? -9.43113  8.50429   -20.79969 1.000 13.83332 ? 61  PHE A HE2  1 
ATOM   1000 H  HZ   . PHE A 1 61 ? -11.50253 7.53721   -21.08709 1.000 15.28291 ? 61  PHE A HZ   1 
ATOM   1001 N  N    . THR A 1 62 ? -5.61533  5.61476   -21.21884 1.000 9.20967  ? 62  THR A N    1 
ATOM   1002 C  CA   A THR A 1 62 ? -5.30810  6.46799   -22.36123 0.440 9.37664  ? 62  THR A CA   1 
ATOM   1003 C  CA   B THR A 1 62 ? -5.28423  6.47013   -22.35685 0.560 10.23828 ? 62  THR A CA   1 
ATOM   1004 C  C    . THR A 1 62 ? -4.82987  5.64321   -23.55205 1.000 8.52330  ? 62  THR A C    1 
ATOM   1005 O  O    . THR A 1 62 ? -5.21006  5.92475   -24.69566 1.000 8.75311  ? 62  THR A O    1 
ATOM   1006 C  CB   A THR A 1 62 ? -4.30543  7.55090   -21.95832 0.440 10.91699 ? 62  THR A CB   1 
ATOM   1007 C  CB   B THR A 1 62 ? -4.17648  7.44997   -21.93449 0.560 14.08454 ? 62  THR A CB   1 
ATOM   1008 O  OG1  A THR A 1 62 ? -3.12694  6.94045   -21.43042 0.440 10.64832 ? 62  THR A OG1  1 
ATOM   1009 O  OG1  B THR A 1 62 ? -4.69680  8.37744   -20.96959 0.560 16.50103 ? 62  THR A OG1  1 
ATOM   1010 C  CG2  A THR A 1 62 ? -4.91145  8.44906   -20.88466 0.440 12.47124 ? 62  THR A CG2  1 
ATOM   1011 C  CG2  B THR A 1 62 ? -3.58390  8.21344   -23.12095 0.560 14.35647 ? 62  THR A CG2  1 
ATOM   1012 H  H    . THR A 1 62 ? -5.11307  5.72103   -20.52889 1.000 11.04858 ? 62  THR A H    1 
ATOM   1013 H  HA   . THR A 1 62 ? -6.11258  6.92967   -22.64507 1.000 12.28291 ? 62  THR A HA   1 
ATOM   1014 H  HB   A THR A 1 62 ? -4.07752  8.08766   -22.73347 0.440 13.09736 ? 62  THR A HB   1 
ATOM   1015 H  HB   B THR A 1 62 ? -3.45088  6.93880   -21.54319 0.560 16.89842 ? 62  THR A HB   1 
ATOM   1016 H  HG1  A THR A 1 62 ? -2.55970  7.52945   -21.23830 0.440 12.77496 ? 62  THR A HG1  1 
ATOM   1017 H  HG1  B THR A 1 62 ? -4.08313  8.88124   -20.69537 0.560 19.79821 ? 62  THR A HG1  1 
ATOM   1018 H  HG21 A THR A 1 62 ? -5.76113  8.80385   -21.18973 0.440 14.96246 ? 62  THR A HG21 1 
ATOM   1019 H  HG21 B THR A 1 62 ? -3.05931  7.61290   -23.67328 0.560 17.22474 ? 62  THR A HG21 1 
ATOM   1020 H  HG22 A THR A 1 62 ? -4.31249  9.18759   -20.69306 0.440 14.96246 ? 62  THR A HG22 1 
ATOM   1021 H  HG22 B THR A 1 62 ? -3.01160  8.92899   -22.80256 0.560 17.22474 ? 62  THR A HG22 1 
ATOM   1022 H  HG23 A THR A 1 62 ? -5.05616  7.94177   -20.07065 0.440 14.96246 ? 62  THR A HG23 1 
ATOM   1023 H  HG23 B THR A 1 62 ? -4.29536  8.59499   -23.65867 0.560 17.22474 ? 62  THR A HG23 1 
ATOM   1024 N  N    . GLU A 1 63 ? -3.99928  4.63131   -23.30638 1.000 8.28202  ? 63  GLU A N    1 
ATOM   1025 C  CA   . GLU A 1 63 ? -3.52013  3.75884   -24.37867 1.000 9.00919  ? 63  GLU A CA   1 
ATOM   1026 C  C    . GLU A 1 63 ? -4.67232  3.11881   -25.14828 1.000 8.08701  ? 63  GLU A C    1 
ATOM   1027 O  O    . GLU A 1 63 ? -4.71786  3.15069   -26.38802 1.000 9.26863  ? 63  GLU A O    1 
ATOM   1028 C  CB   . GLU A 1 63 ? -2.63225  2.67100   -23.76820 1.000 9.27558  ? 63  GLU A CB   1 
ATOM   1029 C  CG   . GLU A 1 63 ? -2.17137  1.60516   -24.73490 1.000 9.04866  ? 63  GLU A CG   1 
ATOM   1030 C  CD   . GLU A 1 63 ? -1.34643  0.51634   -24.06025 1.000 10.33625 ? 63  GLU A CD   1 
ATOM   1031 O  OE1  . GLU A 1 63 ? -1.27994  0.49466   -22.81278 1.000 10.66595 ? 63  GLU A OE1  1 
ATOM   1032 O  OE2  . GLU A 1 63 ? -0.75929  -0.32243  -24.78875 1.000 10.16927 ? 63  GLU A OE2  1 
ATOM   1033 H  H    . GLU A 1 63 ? -3.69698  4.42695   -22.52763 1.000 9.93539  ? 63  GLU A H    1 
ATOM   1034 H  HA   . GLU A 1 63 ? -3.00500  4.28822   -25.00740 1.000 10.80800 ? 63  GLU A HA   1 
ATOM   1035 H  HB2  . GLU A 1 63 ? -1.83968  3.09232   -23.40047 1.000 11.12767 ? 63  GLU A HB2  1 
ATOM   1036 H  HB3  . GLU A 1 63 ? -3.13012  2.22838   -23.06314 1.000 11.12767 ? 63  GLU A HB3  1 
ATOM   1037 H  HG2  . GLU A 1 63 ? -2.94801  1.18680   -25.13827 1.000 10.85536 ? 63  GLU A HG2  1 
ATOM   1038 H  HG3  . GLU A 1 63 ? -1.62225  2.01625   -25.42073 1.000 10.85536 ? 63  GLU A HG3  1 
ATOM   1039 N  N    . TYR A 1 64 ? -5.61053  2.50935   -24.44005 1.000 7.26986  ? 64  TYR A N    1 
ATOM   1040 C  CA   . TYR A 1 64 ? -6.68380  1.76695   -25.11054 1.000 6.77462  ? 64  TYR A CA   1 
ATOM   1041 C  C    . TYR A 1 64 ? -7.82451  2.66659   -25.58864 1.000 6.89008  ? 64  TYR A C    1 
ATOM   1042 O  O    . TYR A 1 64 ? -8.50516  2.29499   -26.55636 1.000 7.76161  ? 64  TYR A O    1 
ATOM   1043 C  CB   . TYR A 1 64 ? -7.10186  0.54283   -24.28708 1.000 7.91486  ? 64  TYR A CB   1 
ATOM   1044 C  CG   . TYR A 1 64 ? -5.91941  -0.40364  -24.13295 1.000 8.27807  ? 64  TYR A CG   1 
ATOM   1045 C  CD1  . TYR A 1 64 ? -5.33965  -1.00887  -25.24054 1.000 8.95123  ? 64  TYR A CD1  1 
ATOM   1046 C  CD2  . TYR A 1 64 ? -5.32973  -0.61297  -22.89589 1.000 9.22646  ? 64  TYR A CD2  1 
ATOM   1047 C  CE1  . TYR A 1 64 ? -4.21543  -1.81873  -25.11402 1.000 10.03457 ? 64  TYR A CE1  1 
ATOM   1048 C  CE2  . TYR A 1 64 ? -4.23006  -1.43637  -22.75419 1.000 10.50672 ? 64  TYR A CE2  1 
ATOM   1049 C  CZ   . TYR A 1 64 ? -3.66976  -2.03228  -23.85789 1.000 10.32209 ? 64  TYR A CZ   1 
ATOM   1050 O  OH   . TYR A 1 64 ? -2.54981  -2.84532  -23.71601 1.000 12.09941 ? 64  TYR A OH   1 
ATOM   1051 H  H    . TYR A 1 64 ? -5.65389  2.50642   -23.58115 1.000 8.72080  ? 64  TYR A H    1 
ATOM   1052 H  HA   . TYR A 1 64 ? -6.35648  1.36655   -25.93118 1.000 8.12652  ? 64  TYR A HA   1 
ATOM   1053 H  HB2  . TYR A 1 64 ? -7.39313  0.82537   -23.40604 1.000 9.49480  ? 64  TYR A HB2  1 
ATOM   1054 H  HB3  . TYR A 1 64 ? -7.82053  0.07423   -24.73965 1.000 9.49480  ? 64  TYR A HB3  1 
ATOM   1055 H  HD1  . TYR A 1 64 ? -5.70981  -0.87020  -26.08235 1.000 10.73845 ? 64  TYR A HD1  1 
ATOM   1056 H  HD2  . TYR A 1 64 ? -5.68187  -0.19028  -22.14607 1.000 11.06873 ? 64  TYR A HD2  1 
ATOM   1057 H  HE1  . TYR A 1 64 ? -3.83381  -2.21294  -25.86493 1.000 12.03845 ? 64  TYR A HE1  1 
ATOM   1058 H  HE2  . TYR A 1 64 ? -3.86851  -1.58756  -21.91079 1.000 12.60503 ? 64  TYR A HE2  1 
ATOM   1059 H  HH   . TYR A 1 64 ? -2.25410  -3.06149  -24.47194 0.000 14.51627 ? 64  TYR A HH   1 
ATOM   1060 N  N    . LEU A 1 65 ? -8.02212  3.85190   -24.98825 1.000 6.97902  ? 65  LEU A N    1 
ATOM   1061 C  CA   . LEU A 1 65 ? -8.90919  4.83529   -25.61191 1.000 7.50978  ? 65  LEU A CA   1 
ATOM   1062 C  C    . LEU A 1 65 ? -8.38348  5.23573   -26.98184 1.000 8.63785  ? 65  LEU A C    1 
ATOM   1063 O  O    . LEU A 1 65 ? -9.13557  5.29900   -27.96278 1.000 7.83960  ? 65  LEU A O    1 
ATOM   1064 C  CB   . LEU A 1 65 ? -9.05460  6.05933   -24.71903 1.000 8.06700  ? 65  LEU A CB   1 
ATOM   1065 C  CG   . LEU A 1 65 ? -9.86048  7.21166   -25.31015 1.000 9.76455  ? 65  LEU A CG   1 
ATOM   1066 C  CD1  . LEU A 1 65 ? -11.27580 6.78414   -25.53672 1.000 11.65352 ? 65  LEU A CD1  1 
ATOM   1067 C  CD2  . LEU A 1 65 ? -9.76887  8.45494   -24.39738 1.000 12.07701 ? 65  LEU A CD2  1 
ATOM   1068 H  H    . LEU A 1 65 ? -7.66532  4.09889   -24.24576 1.000 8.37180  ? 65  LEU A H    1 
ATOM   1069 H  HA   . LEU A 1 65 ? -9.78860  4.44031   -25.71924 1.000 9.00871  ? 65  LEU A HA   1 
ATOM   1070 H  HB2  . LEU A 1 65 ? -9.49681  5.78747   -23.89961 1.000 9.67737  ? 65  LEU A HB2  1 
ATOM   1071 H  HB3  . LEU A 1 65 ? -8.16771  6.39839   -24.52065 1.000 9.67737  ? 65  LEU A HB3  1 
ATOM   1072 H  HG   . LEU A 1 65 ? -9.49410  7.46504   -26.17181 1.000 11.71443 ? 65  LEU A HG   1 
ATOM   1073 H  HD11 . LEU A 1 65 ? -11.28321 6.02123   -26.13573 1.000 13.98120 ? 65  LEU A HD11 1 
ATOM   1074 H  HD12 . LEU A 1 65 ? -11.76852 7.52010   -25.93231 1.000 13.98120 ? 65  LEU A HD12 1 
ATOM   1075 H  HD13 . LEU A 1 65 ? -11.67214 6.54031   -24.68563 1.000 13.98120 ? 65  LEU A HD13 1 
ATOM   1076 H  HD21 . LEU A 1 65 ? -10.20359 8.25924   -23.55262 1.000 14.48938 ? 65  LEU A HD21 1 
ATOM   1077 H  HD22 . LEU A 1 65 ? -10.21223 9.19974   -24.83281 1.000 14.48938 ? 65  LEU A HD22 1 
ATOM   1078 H  HD23 . LEU A 1 65 ? -8.83462  8.66818   -24.24703 1.000 14.48938 ? 65  LEU A HD23 1 
ATOM   1079 N  N    . ASN A 1 66 ? -7.08412  5.50661   -27.07370 1.000 8.71373  ? 66  ASN A N    1 
ATOM   1080 C  CA   A ASN A 1 66 ? -6.51673  5.86048   -28.36589 0.654 8.80604  ? 66  ASN A CA   1 
ATOM   1081 C  CA   B ASN A 1 66 ? -6.49973  5.85800   -28.36345 0.346 9.74106  ? 66  ASN A CA   1 
ATOM   1082 C  C    . ASN A 1 66 ? -6.67592  4.72019   -29.36308 1.000 8.74596  ? 66  ASN A C    1 
ATOM   1083 O  O    . ASN A 1 66 ? -7.05524  4.94238   -30.51849 1.000 8.64554  ? 66  ASN A O    1 
ATOM   1084 C  CB   A ASN A 1 66 ? -5.04538  6.22856   -28.21586 0.654 9.31932  ? 66  ASN A CB   1 
ATOM   1085 C  CB   B ASN A 1 66 ? -5.00966  6.18234   -28.19521 0.346 12.04954 ? 66  ASN A CB   1 
ATOM   1086 C  CG   A ASN A 1 66 ? -4.39383  6.53381   -29.54704 0.654 11.48884 ? 66  ASN A CG   1 
ATOM   1087 C  CG   B ASN A 1 66 ? -4.76637  7.57176   -27.65080 0.346 14.79601 ? 66  ASN A CG   1 
ATOM   1088 O  OD1  A ASN A 1 66 ? -3.46811  5.84556   -29.97585 0.654 17.07904 ? 66  ASN A OD1  1 
ATOM   1089 O  OD1  B ASN A 1 66 ? -5.59369  8.46022   -27.81496 0.346 15.65391 ? 66  ASN A OD1  1 
ATOM   1090 N  ND2  A ASN A 1 66 ? -4.89962  7.54628   -30.22597 0.654 13.64432 ? 66  ASN A ND2  1 
ATOM   1091 N  ND2  B ASN A 1 66 ? -3.61738  7.77156   -27.01047 0.346 15.99968 ? 66  ASN A ND2  1 
ATOM   1092 H  H    . ASN A 1 66 ? -6.52346  5.49336   -26.42171 1.000 10.45345 ? 66  ASN A H    1 
ATOM   1093 H  HA   . ASN A 1 66 ? -6.98642  6.63695   -28.70851 1.000 11.68625 ? 66  ASN A HA   1 
ATOM   1094 H  HB2  A ASN A 1 66 ? -4.96997  7.01617   -27.65472 0.654 11.18016 ? 66  ASN A HB2  1 
ATOM   1095 H  HB2  B ASN A 1 66 ? -4.61620  5.54605   -27.57778 0.346 14.45642 ? 66  ASN A HB2  1 
ATOM   1096 H  HB3  A ASN A 1 66 ? -4.57124  5.48576   -27.81049 0.654 11.18016 ? 66  ASN A HB3  1 
ATOM   1097 H  HB3  B ASN A 1 66 ? -4.57365  6.11914   -29.05939 0.346 14.45642 ? 66  ASN A HB3  1 
ATOM   1098 H  HD21 A ASN A 1 66 ? -5.56273  7.99039   -29.90558 0.654 16.37015 ? 66  ASN A HD21 1 
ATOM   1099 H  HD21 B ASN A 1 66 ? -3.05590  7.12602   -26.92310 0.346 19.19658 ? 66  ASN A HD21 1 
ATOM   1100 H  HD22 A ASN A 1 66 ? -4.56610  7.76191   -30.98877 0.654 16.37015 ? 66  ASN A HD22 1 
ATOM   1101 H  HD22 B ASN A 1 66 ? -3.43615  8.54624   -26.68393 0.346 19.19658 ? 66  ASN A HD22 1 
ATOM   1102 N  N    . ARG A 1 67 ? -6.41038  3.48329   -28.93556 1.000 8.32236  ? 67  ARG A N    1 
ATOM   1103 C  CA   . ARG A 1 67 ? -6.58044  2.35108   -29.85068 1.000 8.97767  ? 67  ARG A CA   1 
ATOM   1104 C  C    . ARG A 1 67 ? -8.03870  2.22347   -30.29153 1.000 8.47395  ? 67  ARG A C    1 
ATOM   1105 O  O    . ARG A 1 67 ? -8.32552  1.98158   -31.47374 1.000 9.95084  ? 67  ARG A O    1 
ATOM   1106 C  CB   . ARG A 1 67 ? -6.09252  1.04594   -29.21150 1.000 9.83625  ? 67  ARG A CB   1 
ATOM   1107 C  CG   . ARG A 1 67 ? -6.20818  -0.17522  -30.13641 1.000 9.27496  ? 67  ARG A CG   1 
ATOM   1108 C  CD   . ARG A 1 67 ? -5.43711  0.01644   -31.42342 1.000 10.08372 ? 67  ARG A CD   1 
ATOM   1109 N  NE   . ARG A 1 67 ? -5.51626  -1.18251  -32.25661 1.000 11.69067 ? 67  ARG A NE   1 
ATOM   1110 C  CZ   . ARG A 1 67 ? -5.05558  -1.23897  -33.49566 1.000 13.96553 ? 67  ARG A CZ   1 
ATOM   1111 N  NH1  . ARG A 1 67 ? -4.49514  -0.18568  -34.06841 1.000 17.23294 ? 67  ARG A NH1  1 
ATOM   1112 N  NH2  . ARG A 1 67 ? -5.16592  -2.37167  -34.17839 1.000 15.18165 ? 67  ARG A NH2  1 
ATOM   1113 H  H    . ARG A 1 67 ? -6.13898  3.27778   -28.14581 1.000 9.98380  ? 67  ARG A H    1 
ATOM   1114 H  HA   . ARG A 1 67 ? -6.03168  2.50655   -30.63528 1.000 10.77018 ? 67  ARG A HA   1 
ATOM   1115 H  HB2  . ARG A 1 67 ? -5.15867  1.14707   -28.96943 1.000 11.80048 ? 67  ARG A HB2  1 
ATOM   1116 H  HB3  . ARG A 1 67 ? -6.62335  0.86900   -28.41915 1.000 11.80048 ? 67  ARG A HB3  1 
ATOM   1117 H  HG2  . ARG A 1 67 ? -5.85161  -0.95488  -29.68267 1.000 11.12692 ? 67  ARG A HG2  1 
ATOM   1118 H  HG3  . ARG A 1 67 ? -7.14087  -0.31941  -30.36046 1.000 11.12692 ? 67  ARG A HG3  1 
ATOM   1119 H  HD2  . ARG A 1 67 ? -5.81258  0.76137   -31.91840 1.000 12.09744 ? 67  ARG A HD2  1 
ATOM   1120 H  HD3  . ARG A 1 67 ? -4.50464  0.18965   -31.21993 1.000 12.09744 ? 67  ARG A HD3  1 
ATOM   1121 H  HE   . ARG A 1 67 ? -5.88085  -1.88698  -31.92434 1.000 14.02578 ? 67  ARG A HE   1 
ATOM   1122 H  HH11 . ARG A 1 67 ? -4.42498  0.55337   -33.63426 1.000 20.67649 ? 67  ARG A HH11 1 
ATOM   1123 H  HH12 . ARG A 1 67 ? -4.20110  -0.24029  -34.87474 1.000 20.67649 ? 67  ARG A HH12 1 
ATOM   1124 H  HH21 . ARG A 1 67 ? -5.53372  -3.05879  -33.81482 1.000 18.21495 ? 67  ARG A HH21 1 
ATOM   1125 H  HH22 . ARG A 1 67 ? -4.86962  -2.41855  -34.98437 1.000 18.21495 ? 67  ARG A HH22 1 
ATOM   1126 N  N    . ALA A 1 68 ? -8.97910  2.38879   -29.35577 1.000 8.73448  ? 68  ALA A N    1 
ATOM   1127 C  CA   . ALA A 1 68 ? -10.39233 2.30569   -29.71741 1.000 9.31687  ? 68  ALA A CA   1 
ATOM   1128 C  C    . ALA A 1 68 ? -10.75595 3.36985   -30.74457 1.000 9.66805  ? 68  ALA A C    1 
ATOM   1129 O  O    . ALA A 1 68 ? -11.51377 3.09772   -31.68286 1.000 10.02680 ? 68  ALA A O    1 
ATOM   1130 C  CB   . ALA A 1 68 ? -11.27043 2.45355   -28.47476 1.000 9.22985  ? 68  ALA A CB   1 
ATOM   1131 H  H    . ALA A 1 68 ? -8.82717  2.54640   -28.52410 1.000 10.47835 ? 68  ALA A H    1 
ATOM   1132 H  HA   . ALA A 1 68 ? -10.56147 1.43172   -30.10272 1.000 11.17721 ? 68  ALA A HA   1 
ATOM   1133 H  HB1  . ALA A 1 68 ? -12.19911 2.33461   -28.72834 1.000 11.07279 ? 68  ALA A HB1  1 
ATOM   1134 H  HB2  . ALA A 1 68 ? -11.01569 1.77896   -27.82597 1.000 11.07279 ? 68  ALA A HB2  1 
ATOM   1135 H  HB3  . ALA A 1 68 ? -11.14067 3.33872   -28.09988 1.000 11.07279 ? 68  ALA A HB3  1 
ATOM   1136 N  N    . GLU A 1 69 ? -10.23172 4.59644   -30.58243 1.000 9.48640  ? 69  GLU A N    1 
ATOM   1137 C  CA   . GLU A 1 69 ? -10.48894 5.64202   -31.56843 1.000 9.95258  ? 69  GLU A CA   1 
ATOM   1138 C  C    . GLU A 1 69 ? -9.94604  5.25578   -32.94224 1.000 10.08495 ? 69  GLU A C    1 
ATOM   1139 O  O    . GLU A 1 69 ? -10.58628 5.51942   -33.97592 1.000 10.92177 ? 69  GLU A O    1 
ATOM   1140 C  CB   . GLU A 1 69 ? -9.88367  6.96943   -31.11252 1.000 12.48101 ? 69  GLU A CB   1 
ATOM   1141 C  CG   . GLU A 1 69 ? -10.49187 7.55058   -29.86237 1.000 13.85811 ? 69  GLU A CG   1 
ATOM   1142 C  CD   . GLU A 1 69 ? -11.72103 8.38415   -30.10465 1.000 18.55838 ? 69  GLU A CD   1 
ATOM   1143 O  OE1  . GLU A 1 69 ? -12.06849 9.18946   -29.17810 1.000 19.45676 ? 69  GLU A OE1  1 
ATOM   1144 O  OE2  . GLU A 1 69 ? -12.35985 8.23622   -31.15387 1.000 21.04251 ? 69  GLU A OE2  1 
ATOM   1145 H  H    . GLU A 1 69 ? -9.73544  4.83793   -29.92290 1.000 11.38066 ? 69  GLU A H    1 
ATOM   1146 H  HA   . GLU A 1 69 ? -11.44869 5.76138   -31.64279 1.000 11.94006 ? 69  GLU A HA   1 
ATOM   1147 H  HB2  . GLU A 1 69 ? -8.93896  6.83288   -30.93998 1.000 14.97419 ? 69  GLU A HB2  1 
ATOM   1148 H  HB3  . GLU A 1 69 ? -10.00062 7.62004   -31.82240 1.000 14.97419 ? 69  GLU A HB3  1 
ATOM   1149 H  HG2  . GLU A 1 69 ? -10.74198 6.82309   -29.27152 1.000 16.62670 ? 69  GLU A HG2  1 
ATOM   1150 H  HG3  . GLU A 1 69 ? -9.83314  8.11693   -29.43084 1.000 16.62670 ? 69  GLU A HG3  1 
ATOM   1151 N  N    . GLN A 1 70 ? -8.76564  4.63076   -32.97690 1.000 9.90539  ? 70  GLN A N    1 
ATOM   1152 C  CA   . GLN A 1 70 ? -8.21189  4.16283   -34.24623 1.000 10.10627 ? 70  GLN A CA   1 
ATOM   1153 C  C    . GLN A 1 70 ? -9.11423  3.11910   -34.89773 1.000 9.26586  ? 70  GLN A C    1 
ATOM   1154 O  O    . GLN A 1 70 ? -9.34092  3.15379   -36.11428 1.000 11.36712 ? 70  GLN A O    1 
ATOM   1155 C  CB   . GLN A 1 70 ? -6.81969  3.55952   -34.03624 1.000 12.70910 ? 70  GLN A CB   1 
ATOM   1156 C  CG   . GLN A 1 70 ? -5.75456  4.47746   -33.50817 1.000 17.45391 ? 70  GLN A CG   1 
ATOM   1157 C  CD   . GLN A 1 70 ? -4.42096  3.73787   -33.35040 1.000 24.64007 ? 70  GLN A CD   1 
ATOM   1158 O  OE1  . GLN A 1 70 ? -4.35953  2.62393   -32.83913 1.000 28.14984 ? 70  GLN A OE1  1 
ATOM   1159 N  NE2  . GLN A 1 70 ? -3.34788  4.36579   -33.82278 1.000 28.38097 ? 70  GLN A NE2  1 
ATOM   1160 H  H    . GLN A 1 70 ? -8.27405  4.46823   -32.29023 1.000 11.88344 ? 70  GLN A H    1 
ATOM   1161 H  HA   . GLN A 1 70 ? -8.13537  4.92888   -34.83633 1.000 12.12449 ? 70  GLN A HA   1 
ATOM   1162 H  HB2  . GLN A 1 70 ? -6.90211  2.82871   -33.40378 1.000 15.24789 ? 70  GLN A HB2  1 
ATOM   1163 H  HB3  . GLN A 1 70 ? -6.50616  3.22480   -34.89097 1.000 15.24789 ? 70  GLN A HB3  1 
ATOM   1164 H  HG2  . GLN A 1 70 ? -5.62662  5.21332   -34.12708 1.000 20.94167 ? 70  GLN A HG2  1 
ATOM   1165 H  HG3  . GLN A 1 70 ? -6.02236  4.81698   -32.63989 1.000 20.94167 ? 70  GLN A HG3  1 
ATOM   1166 H  HE21 . GLN A 1 70 ? -3.42906  5.13946   -34.18945 1.000 34.05414 ? 70  GLN A HE21 1 
ATOM   1167 H  HE22 . GLN A 1 70 ? -2.57284  3.99815   -33.76156 1.000 34.05414 ? 70  GLN A HE22 1 
ATOM   1168 N  N    . LEU A 1 71 ? -9.60481  2.15347   -34.11090 1.000 8.80244  ? 71  LEU A N    1 
ATOM   1169 C  CA   . LEU A 1 71 ? -10.50979 1.14501   -34.66109 1.000 9.47185  ? 71  LEU A CA   1 
ATOM   1170 C  C    . LEU A 1 71 ? -11.81059 1.77366   -35.15066 1.000 10.03746 ? 71  LEU A C    1 
ATOM   1171 O  O    . LEU A 1 71 ? -12.30450 1.40802   -36.21613 1.000 10.16316 ? 71  LEU A O    1 
ATOM   1172 C  CB   . LEU A 1 71 ? -10.79851 0.04547   -33.64310 1.000 9.77855  ? 71  LEU A CB   1 
ATOM   1173 C  CG   . LEU A 1 71 ? -9.66120  -0.91815  -33.30006 1.000 12.58340 ? 71  LEU A CG   1 
ATOM   1174 C  CD1  . LEU A 1 71 ? -10.22379 -2.12437  -32.54114 1.000 12.60694 ? 71  LEU A CD1  1 
ATOM   1175 C  CD2  . LEU A 1 71 ? -8.90136  -1.36320  -34.50952 1.000 17.20869 ? 71  LEU A CD2  1 
ATOM   1176 H  H    . LEU A 1 71 ? -9.43178  2.06350   -33.27331 1.000 10.55990 ? 71  LEU A H    1 
ATOM   1177 H  HA   . LEU A 1 71 ? -10.06648 0.72893   -35.41690 1.000 11.36320 ? 71  LEU A HA   1 
ATOM   1178 H  HB2  . LEU A 1 71 ? -11.06427 0.47221   -32.81354 1.000 11.73123 ? 71  LEU A HB2  1 
ATOM   1179 H  HB3  . LEU A 1 71 ? -11.52799 -0.49307  -33.98768 1.000 11.73123 ? 71  LEU A HB3  1 
ATOM   1180 H  HG   . LEU A 1 71 ? -9.02451  -0.45048  -32.73719 1.000 15.09705 ? 71  LEU A HG   1 
ATOM   1181 H  HD11 . LEU A 1 71 ? -10.97157 -1.83370  -31.99594 1.000 15.12530 ? 71  LEU A HD11 1 
ATOM   1182 H  HD12 . LEU A 1 71 ? -9.52743  -2.49523  -31.97682 1.000 15.12530 ? 71  LEU A HD12 1 
ATOM   1183 H  HD13 . LEU A 1 71 ? -10.52025 -2.79004  -33.18137 1.000 15.12530 ? 71  LEU A HD13 1 
ATOM   1184 H  HD21 . LEU A 1 71 ? -9.53102  -1.61475  -35.20317 1.000 20.64740 ? 71  LEU A HD21 1 
ATOM   1185 H  HD22 . LEU A 1 71 ? -8.34853  -2.12428  -34.27278 1.000 20.64740 ? 71  LEU A HD22 1 
ATOM   1186 H  HD23 . LEU A 1 71 ? -8.34335  -0.63241  -34.81850 1.000 20.64740 ? 71  LEU A HD23 1 
ATOM   1187 N  N    . LYS A 1 72 ? -12.37543 2.72670   -34.39843 1.000 10.12779 ? 72  LYS A N    1 
ATOM   1188 C  CA   A LYS A 1 72 ? -13.60679 3.37893   -34.83064 0.596 11.37289 ? 72  LYS A CA   1 
ATOM   1189 C  CA   B LYS A 1 72 ? -13.60665 3.37939   -34.83126 0.404 11.36039 ? 72  LYS A CA   1 
ATOM   1190 C  C    . LYS A 1 72 ? -13.42354 4.04589   -36.18563 1.000 10.61195 ? 72  LYS A C    1 
ATOM   1191 O  O    . LYS A 1 72 ? -14.27536 3.91965   -37.06829 1.000 10.92020 ? 72  LYS A O    1 
ATOM   1192 C  CB   A LYS A 1 72 ? -14.04421 4.39468   -33.77748 0.596 14.12631 ? 72  LYS A CB   1 
ATOM   1193 C  CB   B LYS A 1 72 ? -14.04750 4.40206   -33.78661 0.404 13.73729 ? 72  LYS A CB   1 
ATOM   1194 C  CG   A LYS A 1 72 ? -15.41112 5.01034   -34.00994 0.596 17.66530 ? 72  LYS A CG   1 
ATOM   1195 C  CG   B LYS A 1 72 ? -15.34611 5.11742   -34.11978 0.404 16.93982 ? 72  LYS A CG   1 
ATOM   1196 C  CD   A LYS A 1 72 ? -15.92324 5.70107   -32.75220 0.596 20.68732 ? 72  LYS A CD   1 
ATOM   1197 C  CD   B LYS A 1 72 ? -15.71101 6.13200   -33.04139 0.404 19.15064 ? 72  LYS A CD   1 
ATOM   1198 C  CE   A LYS A 1 72 ? -17.29186 6.32527   -32.96484 0.596 22.56722 ? 72  LYS A CE   1 
ATOM   1199 C  CE   B LYS A 1 72 ? -17.04267 6.80996   -33.32524 0.404 21.87737 ? 72  LYS A CE   1 
ATOM   1200 N  NZ   A LYS A 1 72 ? -17.21584 7.60579   -33.72459 0.596 23.01479 ? 72  LYS A NZ   1 
ATOM   1201 N  NZ   B LYS A 1 72 ? -17.43267 7.73262   -32.21729 0.404 23.40119 ? 72  LYS A NZ   1 
ATOM   1202 H  H    . LYS A 1 72 ? -12.06966 3.00872   -33.64572 1.000 12.15031 ? 72  LYS A H    1 
ATOM   1203 H  HA   . LYS A 1 72 ? -14.30716 2.71373   -34.91947 1.000 13.62944 ? 72  LYS A HA   1 
ATOM   1204 H  HB2  A LYS A 1 72 ? -14.06753 3.95180   -32.91480 0.596 16.94854 ? 72  LYS A HB2  1 
ATOM   1205 H  HB2  B LYS A 1 72 ? -14.17256 3.94549   -32.93996 0.404 16.48172 ? 72  LYS A HB2  1 
ATOM   1206 H  HB3  A LYS A 1 72 ? -13.39821 5.11810   -33.76166 0.596 16.94854 ? 72  LYS A HB3  1 
ATOM   1207 H  HB3  B LYS A 1 72 ? -13.35473 5.07560   -33.70116 0.404 16.48172 ? 72  LYS A HB3  1 
ATOM   1208 H  HG2  A LYS A 1 72 ? -15.35181 5.66956   -34.71904 0.596 21.19533 ? 72  LYS A HG2  1 
ATOM   1209 H  HG2  B LYS A 1 72 ? -15.24762 5.58837   -34.96204 0.404 20.32475 ? 72  LYS A HG2  1 
ATOM   1210 H  HG3  A LYS A 1 72 ? -16.04089 4.31466   -34.25553 0.596 21.19533 ? 72  LYS A HG3  1 
ATOM   1211 H  HG3  B LYS A 1 72 ? -16.06405 4.46838   -34.18457 0.404 20.32475 ? 72  LYS A HG3  1 
ATOM   1212 H  HD2  A LYS A 1 72 ? -15.99496 5.05007   -32.03668 0.596 24.82176 ? 72  LYS A HD2  1 
ATOM   1213 H  HD2  B LYS A 1 72 ? -15.77788 5.67920   -32.18618 0.404 22.97774 ? 72  LYS A HD2  1 
ATOM   1214 H  HD3  A LYS A 1 72 ? -15.30517 6.40475   -32.49977 0.596 24.82176 ? 72  LYS A HD3  1 
ATOM   1215 H  HD3  B LYS A 1 72 ? -15.02500 6.81663   -33.00156 0.404 22.97774 ? 72  LYS A HD3  1 
ATOM   1216 H  HE2  A LYS A 1 72 ? -17.84830 5.70911   -33.46646 0.596 27.07764 ? 72  LYS A HE2  1 
ATOM   1217 H  HE2  B LYS A 1 72 ? -16.97211 7.32726   -34.14275 0.404 26.24982 ? 72  LYS A HE2  1 
ATOM   1218 H  HE3  A LYS A 1 72 ? -17.69523 6.50950   -32.10214 0.596 27.07764 ? 72  LYS A HE3  1 
ATOM   1219 H  HE3  B LYS A 1 72 ? -17.73340 6.13530   -33.41812 0.404 26.24982 ? 72  LYS A HE3  1 
ATOM   1220 H  HZ1  A LYS A 1 72 ? -16.79206 8.22161   -33.24160 0.596 27.61472 ? 72  LYS A HZ1  1 
ATOM   1221 H  HZ1  B LYS A 1 72 ? -17.52125 7.27646   -31.45823 0.404 28.07840 ? 72  LYS A HZ1  1 
ATOM   1222 H  HZ2  A LYS A 1 72 ? -18.03549 7.89840   -33.91074 0.596 27.61472 ? 72  LYS A HZ2  1 
ATOM   1223 H  HZ2  B LYS A 1 72 ? -18.20671 8.12801   -32.40866 0.404 28.07840 ? 72  LYS A HZ2  1 
ATOM   1224 H  HZ3  A LYS A 1 72 ? -16.77341 7.48170   -34.48680 0.596 27.61472 ? 72  LYS A HZ3  1 
ATOM   1225 H  HZ3  B LYS A 1 72 ? -16.80849 8.35750   -32.10759 0.404 28.07840 ? 72  LYS A HZ3  1 
ATOM   1226 N  N    . LYS A 1 73 ? -12.31597 4.76785   -36.36586 1.000 9.97095  ? 73  LYS A N    1 
ATOM   1227 C  CA   . LYS A 1 73 ? -12.06401 5.42242   -37.64847 1.000 10.72974 ? 73  LYS A CA   1 
ATOM   1228 C  C    . LYS A 1 73 ? -11.88943 4.39503   -38.76300 1.000 10.80285 ? 73  LYS A C    1 
ATOM   1229 O  O    . LYS A 1 73 ? -12.36782 4.59950   -39.88788 1.000 11.90644 ? 73  LYS A O    1 
ATOM   1230 C  CB   . LYS A 1 73 ? -10.83402 6.32253   -37.53725 1.000 14.26276 ? 73  LYS A CB   1 
ATOM   1231 C  CG   . LYS A 1 73 ? -11.10884 7.57400   -36.75261 1.000 17.26738 ? 73  LYS A CG   1 
ATOM   1232 C  CD   . LYS A 1 73 ? -9.92277  8.51817   -36.75044 1.000 18.74310 ? 73  LYS A CD   1 
ATOM   1233 C  CE   . LYS A 1 73 ? -8.76444  7.94971   -35.95494 1.000 19.12100 ? 73  LYS A CE   1 
ATOM   1234 N  NZ   . LYS A 1 73 ? -7.70309  8.98104   -35.76502 1.000 18.17265 ? 73  LYS A NZ   1 
ATOM   1235 H  H    . LYS A 1 73 ? -11.70584 4.89206   -35.77263 1.000 11.96211 ? 73  LYS A H    1 
ATOM   1236 H  HA   . LYS A 1 73 ? -12.82306 5.98156   -37.87671 1.000 12.87266 ? 73  LYS A HA   1 
ATOM   1237 H  HB2  . LYS A 1 73 ? -10.12432 5.83558   -37.08992 1.000 17.11228 ? 73  LYS A HB2  1 
ATOM   1238 H  HB3  . LYS A 1 73 ? -10.54889 6.58104   -38.42762 1.000 17.11228 ? 73  LYS A HB3  1 
ATOM   1239 H  HG2  . LYS A 1 73 ? -11.86396 8.03816   -37.14663 1.000 20.71782 ? 73  LYS A HG2  1 
ATOM   1240 H  HG3  . LYS A 1 73 ? -11.30809 7.33686   -35.83339 1.000 20.71782 ? 73  LYS A HG3  1 
ATOM   1241 H  HD2  . LYS A 1 73 ? -9.62507  8.66273   -37.66224 1.000 22.48869 ? 73  LYS A HD2  1 
ATOM   1242 H  HD3  . LYS A 1 73 ? -10.18390 9.36172   -36.34902 1.000 22.48869 ? 73  LYS A HD3  1 
ATOM   1243 H  HE2  . LYS A 1 73 ? -9.07841  7.66513   -35.08240 1.000 22.94217 ? 73  LYS A HE2  1 
ATOM   1244 H  HE3  . LYS A 1 73 ? -8.38171  7.19662   -36.43166 1.000 22.94217 ? 73  LYS A HE3  1 
ATOM   1245 H  HZ1  . LYS A 1 73 ? -7.40133  9.25648   -36.55570 1.000 21.80415 ? 73  LYS A HZ1  1 
ATOM   1246 H  HZ2  . LYS A 1 73 ? -7.02549  8.63856   -35.30060 1.000 21.80415 ? 73  LYS A HZ2  1 
ATOM   1247 H  HZ3  . LYS A 1 73 ? -8.03284  9.67928   -35.32251 1.000 21.80415 ? 73  LYS A HZ3  1 
ATOM   1248 N  N    . HIS A 1 74 ? -11.19867 3.29035   -38.47208 1.000 10.93248 ? 74  HIS A N    1 
ATOM   1249 C  CA   . HIS A 1 74 ? -11.04080 2.22339   -39.45501 1.000 10.61241 ? 74  HIS A CA   1 
ATOM   1250 C  C    . HIS A 1 74 ? -12.38939 1.65999   -39.87221 1.000 10.60265 ? 74  HIS A C    1 
ATOM   1251 O  O    . HIS A 1 74 ? -12.64507 1.46676   -41.06602 1.000 11.07771 ? 74  HIS A O    1 
ATOM   1252 C  CB   . HIS A 1 74 ? -10.15650 1.11329   -38.89728 1.000 11.91760 ? 74  HIS A CB   1 
ATOM   1253 C  CG   . HIS A 1 74 ? -9.97144  -0.03602  -39.83798 1.000 14.32593 ? 74  HIS A CG   1 
ATOM   1254 N  ND1  . HIS A 1 74 ? -9.29024  0.07706   -41.03156 1.000 16.37755 ? 74  HIS A ND1  1 
ATOM   1255 C  CD2  . HIS A 1 74 ? -10.38114 -1.32228  -39.75738 1.000 16.57319 ? 74  HIS A CD2  1 
ATOM   1256 C  CE1  . HIS A 1 74 ? -9.28554  -1.09246  -41.64353 1.000 17.20273 ? 74  HIS A CE1  1 
ATOM   1257 N  NE2  . HIS A 1 74 ? -9.93929  -1.95846  -40.89102 1.000 16.75124 ? 74  HIS A NE2  1 
ATOM   1258 H  H    . HIS A 1 74 ? -10.81503 3.13678   -37.71787 1.000 13.11595 ? 74  HIS A H    1 
ATOM   1259 H  HA   . HIS A 1 74 ? -10.60470 2.59237   -40.23896 1.000 12.73186 ? 74  HIS A HA   1 
ATOM   1260 H  HB2  . HIS A 1 74 ? -9.28027  1.48049   -38.70164 1.000 14.29808 ? 74  HIS A HB2  1 
ATOM   1261 H  HB3  . HIS A 1 74 ? -10.56111 0.76981   -38.08536 1.000 14.29808 ? 74  HIS A HB3  1 
ATOM   1262 H  HD1  . HIS A 1 74 ? -8.92577  0.79646   -41.33027 0.000 19.65003 ? 74  HIS A HD1  1 
ATOM   1263 H  HD2  . HIS A 1 74 ? -10.87013 -1.70404  -39.06453 1.000 19.88480 ? 74  HIS A HD2  1 
ATOM   1264 H  HE1  . HIS A 1 74 ? -8.88930  -1.27537  -42.46478 1.000 20.64024 ? 74  HIS A HE1  1 
ATOM   1265 H  HE2  . HIS A 1 74 ? -10.06763 -2.78746  -41.08049 0.000 20.09846 ? 74  HIS A HE2  1 
ATOM   1266 N  N    . LEU A 1 75 ? -13.26116 1.38128   -38.89659 1.000 11.13163 ? 75  LEU A N    1 
ATOM   1267 C  CA   . LEU A 1 75 ? -14.58339 0.83862   -39.19428 1.000 11.61056 ? 75  LEU A CA   1 
ATOM   1268 C  C    . LEU A 1 75 ? -15.39359 1.82180   -40.02173 1.000 11.18762 ? 75  LEU A C    1 
ATOM   1269 O  O    . LEU A 1 75 ? -16.08374 1.42722   -40.96859 1.000 11.59648 ? 75  LEU A O    1 
ATOM   1270 C  CB   . LEU A 1 75 ? -15.29917 0.51654   -37.88655 1.000 11.95035 ? 75  LEU A CB   1 
ATOM   1271 C  CG   . LEU A 1 75 ? -14.71210 -0.69997  -37.15150 1.000 12.67883 ? 75  LEU A CG   1 
ATOM   1272 C  CD1  . LEU A 1 75 ? -15.18833 -0.70633  -35.70774 1.000 13.77384 ? 75  LEU A CD1  1 
ATOM   1273 C  CD2  . LEU A 1 75 ? -15.04983 -2.02296  -37.83440 1.000 12.41762 ? 75  LEU A CD2  1 
ATOM   1274 H  H    . LEU A 1 75 ? -13.10975 1.49769   -38.05807 1.000 13.35493 ? 75  LEU A H    1 
ATOM   1275 H  HA   . LEU A 1 75 ? -14.49454 0.01854   -39.70466 1.000 13.92964 ? 75  LEU A HA   1 
ATOM   1276 H  HB2  . LEU A 1 75 ? -15.23101 1.28310   -37.29609 1.000 14.33739 ? 75  LEU A HB2  1 
ATOM   1277 H  HB3  . LEU A 1 75 ? -16.23099 0.32763   -38.07873 1.000 14.33739 ? 75  LEU A HB3  1 
ATOM   1278 H  HG   . LEU A 1 75 ? -13.74525 -0.62469  -37.17199 1.000 15.21156 ? 75  LEU A HG   1 
ATOM   1279 H  HD11 . LEU A 1 75 ? -14.93701 0.13157   -35.28861 1.000 16.52557 ? 75  LEU A HD11 1 
ATOM   1280 H  HD12 . LEU A 1 75 ? -14.77174 -1.44765  -35.24105 1.000 16.52557 ? 75  LEU A HD12 1 
ATOM   1281 H  HD13 . LEU A 1 75 ? -16.15300 -0.80687  -35.69384 1.000 16.52557 ? 75  LEU A HD13 1 
ATOM   1282 H  HD21 . LEU A 1 75 ? -15.99920 -2.04281  -38.03242 1.000 14.89812 ? 75  LEU A HD21 1 
ATOM   1283 H  HD22 . LEU A 1 75 ? -14.82086 -2.75337  -37.23860 1.000 14.89812 ? 75  LEU A HD22 1 
ATOM   1284 H  HD23 . LEU A 1 75 ? -14.53902 -2.09370  -38.65597 1.000 14.89812 ? 75  LEU A HD23 1 
ATOM   1285 N  N    . GLU A 1 76 ? -15.29900 3.11495   -39.70046 1.000 11.58102 ? 76  GLU A N    1 
ATOM   1286 C  CA   . GLU A 1 76 ? -16.03715 4.12602   -40.45585 1.000 11.25050 ? 76  GLU A CA   1 
ATOM   1287 C  C    . GLU A 1 76 ? -15.50709 4.23951   -41.87973 1.000 10.53299 ? 76  GLU A C    1 
ATOM   1288 O  O    . GLU A 1 76 ? -16.28269 4.40300   -42.83479 1.000 12.82515 ? 76  GLU A O    1 
ATOM   1289 C  CB   . GLU A 1 76 ? -15.98107 5.46313   -39.71328 1.000 13.89646 ? 76  GLU A CB   1 
ATOM   1290 C  CG   . GLU A 1 76 ? -16.83956 5.46108   -38.45510 1.000 15.49423 ? 76  GLU A CG   1 
ATOM   1291 C  CD   . GLU A 1 76 ? -16.50525 6.55594   -37.46493 1.000 18.93752 ? 76  GLU A CD   1 
ATOM   1292 O  OE1  . GLU A 1 76 ? -15.44423 7.20667   -37.59139 1.000 19.04616 ? 76  GLU A OE1  1 
ATOM   1293 O  OE2  . GLU A 1 76 ? -17.32154 6.74953   -36.53749 1.000 21.83391 ? 76  GLU A OE2  1 
ATOM   1294 H  H    . GLU A 1 76 ? -14.82066 3.42830   -39.05812 1.000 13.89420 ? 76  GLU A H    1 
ATOM   1295 H  HA   . GLU A 1 76 ? -16.97102 3.87178   -40.52034 1.000 13.49757 ? 76  GLU A HA   1 
ATOM   1296 H  HB2  . GLU A 1 76 ? -15.06415 5.64387   -39.45350 1.000 16.67272 ? 76  GLU A HB2  1 
ATOM   1297 H  HB3  . GLU A 1 76 ? -16.30452 6.16544   -40.29899 1.000 16.67272 ? 76  GLU A HB3  1 
ATOM   1298 H  HG2  . GLU A 1 76 ? -17.76761 5.57404   -38.71368 1.000 18.59005 ? 76  GLU A HG2  1 
ATOM   1299 H  HG3  . GLU A 1 76 ? -16.72245 4.61138   -38.00212 1.000 18.59005 ? 76  GLU A HG3  1 
ATOM   1300 N  N    . SER A 1 77 ? -14.18717 4.12730   -42.04330 1.000 10.76240 ? 77  SER A N    1 
ATOM   1301 C  CA   A SER A 1 77 ? -13.60428 4.15041   -43.37832 0.566 13.66516 ? 77  SER A CA   1 
ATOM   1302 C  CA   B SER A 1 77 ? -13.60365 4.15091   -43.37910 0.434 13.75888 ? 77  SER A CA   1 
ATOM   1303 C  C    . SER A 1 77 ? -14.05117 2.94093   -44.18837 1.000 13.40785 ? 77  SER A C    1 
ATOM   1304 O  O    . SER A 1 77 ? -14.37748 3.05984   -45.37538 1.000 12.88458 ? 77  SER A O    1 
ATOM   1305 C  CB   A SER A 1 77 ? -12.08371 4.18758   -43.27001 0.566 14.57242 ? 77  SER A CB   1 
ATOM   1306 C  CB   B SER A 1 77 ? -12.07988 4.19691   -43.27763 0.434 15.51980 ? 77  SER A CB   1 
ATOM   1307 O  OG   A SER A 1 77 ? -11.48709 4.08863   -44.54618 0.566 15.49586 ? 77  SER A OG   1 
ATOM   1308 O  OG   B SER A 1 77 ? -11.63322 5.47273   -42.84286 0.434 17.58496 ? 77  SER A OG   1 
ATOM   1309 H  H    . SER A 1 77 ? -13.61495 4.03800   -41.40754 1.000 12.91185 ? 77  SER A H    1 
ATOM   1310 H  HA   . SER A 1 77 ? -13.89770 4.94978   -43.84288 1.000 16.50762 ? 77  SER A HA   1 
ATOM   1311 H  HB2  A SER A 1 77 ? -11.81660 5.02538   -42.86056 0.566 17.48388 ? 77  SER A HB2  1 
ATOM   1312 H  HB2  B SER A 1 77 ? -11.78682 3.52710   -42.64016 0.434 18.62074 ? 77  SER A HB2  1 
ATOM   1313 H  HB3  A SER A 1 77 ? -11.78760 3.44234   -42.72427 0.566 17.48388 ? 77  SER A HB3  1 
ATOM   1314 H  HB3  B SER A 1 77 ? -11.70083 4.01189   -44.15112 0.434 18.62074 ? 77  SER A HB3  1 
ATOM   1315 H  HG   A SER A 1 77 ? -10.65219 4.03673   -44.46975 0.566 18.59200 ? 77  SER A HG   1 
ATOM   1316 H  HG   B SER A 1 77 ? -10.79358 5.49541   -42.83370 0.434 21.09893 ? 77  SER A HG   1 
ATOM   1317 N  N    . GLU A 1 78 ? -14.08019 1.76821   -43.56046 1.000 13.64171 ? 78  GLU A N    1 
ATOM   1318 C  CA   A GLU A 1 78 ? -14.53348 0.57128   -44.26377 0.754 12.95513 ? 78  GLU A CA   1 
ATOM   1319 C  CA   B GLU A 1 78 ? -14.53227 0.57530   -44.26756 0.246 13.73709 ? 78  GLU A CA   1 
ATOM   1320 C  C    . GLU A 1 78 ? -15.97945 0.72997   -44.72252 1.000 12.30017 ? 78  GLU A C    1 
ATOM   1321 O  O    . GLU A 1 78 ? -16.33092 0.35184   -45.84156 1.000 13.73614 ? 78  GLU A O    1 
ATOM   1322 C  CB   A GLU A 1 78 ? -14.39787 -0.65349  -43.36314 0.754 15.42220 ? 78  GLU A CB   1 
ATOM   1323 C  CB   B GLU A 1 78 ? -14.35224 -0.65977  -43.38981 0.246 15.88185 ? 78  GLU A CB   1 
ATOM   1324 C  CG   A GLU A 1 78 ? -12.96955 -1.10957  -43.10814 0.754 19.92026 ? 78  GLU A CG   1 
ATOM   1325 C  CG   B GLU A 1 78 ? -12.89089 -1.02196  -43.14247 0.246 18.45572 ? 78  GLU A CG   1 
ATOM   1326 C  CD   A GLU A 1 78 ? -12.91132 -2.39546  -42.28844 0.754 24.97127 ? 78  GLU A CD   1 
ATOM   1327 C  CD   B GLU A 1 78 ? -12.13070 -1.33303  -44.42157 0.246 21.42962 ? 78  GLU A CD   1 
ATOM   1328 O  OE1  A GLU A 1 78 ? -13.57388 -2.47388  -41.22789 0.754 26.67998 ? 78  GLU A OE1  1 
ATOM   1329 O  OE1  B GLU A 1 78 ? -12.77882 -1.52958  -45.47226 0.246 23.69506 ? 78  GLU A OE1  1 
ATOM   1330 O  OE2  A GLU A 1 78 ? -12.20941 -3.33626  -42.71065 0.754 26.59465 ? 78  GLU A OE2  1 
ATOM   1331 O  OE2  B GLU A 1 78 ? -10.88354 -1.37578  -44.38118 0.246 22.96961 ? 78  GLU A OE2  1 
ATOM   1332 H  H    . GLU A 1 78 ? -13.84806 1.63632   -42.74295 1.000 16.36702 ? 78  GLU A H    1 
ATOM   1333 H  HA   . GLU A 1 78 ? -13.97298 0.43387   -45.04342 1.000 16.48148 ? 78  GLU A HA   1 
ATOM   1334 H  HB2  A GLU A 1 78 ? -14.79516 -0.44712  -42.50263 0.754 18.50361 ? 78  GLU A HB2  1 
ATOM   1335 H  HB2  B GLU A 1 78 ? -14.76755 -0.49496  -42.52885 0.246 19.05519 ? 78  GLU A HB2  1 
ATOM   1336 H  HB3  A GLU A 1 78 ? -14.86954 -1.39287  -43.77756 0.754 18.50361 ? 78  GLU A HB3  1 
ATOM   1337 H  HB3  B GLU A 1 78 ? -14.77680 -1.41643  -43.82354 0.246 19.05519 ? 78  GLU A HB3  1 
ATOM   1338 H  HG2  A GLU A 1 78 ? -12.53132 -1.27291  -43.95794 0.754 23.90128 ? 78  GLU A HG2  1 
ATOM   1339 H  HG2  B GLU A 1 78 ? -12.45053 -0.27525  -42.70727 0.246 22.14383 ? 78  GLU A HG2  1 
ATOM   1340 H  HG3  A GLU A 1 78 ? -12.49732 -0.41779  -42.61890 0.754 23.90128 ? 78  GLU A HG3  1 
ATOM   1341 H  HG3  B GLU A 1 78 ? -12.85273 -1.80686  -42.57381 0.246 22.14383 ? 78  GLU A HG3  1 
ATOM   1342 N  N    . GLU A 1 79 ? -16.83211 1.30439   -43.87438 1.000 12.57755 ? 79  GLU A N    1 
ATOM   1343 C  CA   A GLU A 1 79 ? -18.22781 1.49547   -44.24990 0.434 13.78391 ? 79  GLU A CA   1 
ATOM   1344 C  CA   B GLU A 1 79 ? -18.22919 1.49611   -44.25072 0.566 14.66237 ? 79  GLU A CA   1 
ATOM   1345 C  C    . GLU A 1 79 ? -18.34631 2.45115   -45.43221 1.000 13.17695 ? 79  GLU A C    1 
ATOM   1346 O  O    . GLU A 1 79 ? -19.10295 2.19432   -46.38231 1.000 14.11589 ? 79  GLU A O    1 
ATOM   1347 C  CB   A GLU A 1 79 ? -19.01182 2.00392   -43.03871 0.434 15.50908 ? 79  GLU A CB   1 
ATOM   1348 C  CB   B GLU A 1 79 ? -19.02789 2.02289   -43.05640 0.566 18.13957 ? 79  GLU A CB   1 
ATOM   1349 C  CG   A GLU A 1 79 ? -19.18316 0.94703   -41.94497 0.434 17.81365 ? 79  GLU A CG   1 
ATOM   1350 C  CG   B GLU A 1 79 ? -20.52953 2.08749   -43.30786 0.566 21.33647 ? 79  GLU A CG   1 
ATOM   1351 C  CD   A GLU A 1 79 ? -19.20409 1.52755   -40.54256 0.434 21.19307 ? 79  GLU A CD   1 
ATOM   1352 C  CD   B GLU A 1 79 ? -21.31209 2.71166   -42.16208 0.566 25.47334 ? 79  GLU A CD   1 
ATOM   1353 O  OE1  A GLU A 1 79 ? -19.41209 2.75228   -40.39754 0.434 21.82455 ? 79  GLU A OE1  1 
ATOM   1354 O  OE1  B GLU A 1 79 ? -20.69087 3.18597   -41.18755 0.566 26.87394 ? 79  GLU A OE1  1 
ATOM   1355 O  OE2  A GLU A 1 79 ? -19.00580 0.75209   -39.57812 0.434 23.13666 ? 79  GLU A OE2  1 
ATOM   1356 O  OE2  B GLU A 1 79 ? -22.55987 2.72581   -42.24034 0.566 27.46980 ? 79  GLU A OE2  1 
ATOM   1357 H  H    . GLU A 1 79 ? -16.63346 1.58843   -43.08733 1.000 15.09004 ? 79  GLU A H    1 
ATOM   1358 H  HA   . GLU A 1 79 ? -18.61555 0.64870   -44.52108 1.000 17.59182 ? 79  GLU A HA   1 
ATOM   1359 H  HB2  A GLU A 1 79 ? -18.53975 2.75860   -42.65334 0.434 18.60787 ? 79  GLU A HB2  1 
ATOM   1360 H  HB2  B GLU A 1 79 ? -18.87884 1.43692   -42.29791 0.566 21.76445 ? 79  GLU A HB2  1 
ATOM   1361 H  HB3  A GLU A 1 79 ? -19.89548 2.27872   -43.32945 0.434 18.60787 ? 79  GLU A HB3  1 
ATOM   1362 H  HB3  B GLU A 1 79 ? -18.72298 2.91976   -42.84772 0.566 21.76445 ? 79  GLU A HB3  1 
ATOM   1363 H  HG2  A GLU A 1 79 ? -20.02279 0.48246   -42.08672 0.434 21.37335 ? 79  GLU A HG2  1 
ATOM   1364 H  HG2  B GLU A 1 79 ? -20.69119 2.62028   -44.10215 0.566 25.60073 ? 79  GLU A HG2  1 
ATOM   1365 H  HG3  A GLU A 1 79 ? -18.44452 0.32038   -41.99608 0.434 21.37335 ? 79  GLU A HG3  1 
ATOM   1366 H  HG3  B GLU A 1 79 ? -20.86391 1.18645   -43.43904 0.566 25.60073 ? 79  GLU A HG3  1 
ATOM   1367 N  N    . ALA A 1 80 ? -17.60101 3.55779   -45.39300 1.000 12.13866 ? 80  ALA A N    1 
ATOM   1368 C  CA   . ALA A 1 80 ? -17.63733 4.51659   -46.49110 1.000 13.23866 ? 80  ALA A CA   1 
ATOM   1369 C  C    . ALA A 1 80 ? -17.14453 3.88211   -47.78631 1.000 12.43193 ? 80  ALA A C    1 
ATOM   1370 O  O    . ALA A 1 80 ? -17.74712 4.07524   -48.85490 1.000 13.60143 ? 80  ALA A O    1 
ATOM   1371 C  CB   . ALA A 1 80 ? -16.78322 5.73297   -46.13212 1.000 16.23733 ? 80  ALA A CB   1 
ATOM   1372 H  H    . ALA A 1 80 ? -17.07298 3.77258   -44.74906 1.000 14.56337 ? 80  ALA A H    1 
ATOM   1373 H  HA   . ALA A 1 80 ? -18.55063 4.81238   -46.63001 1.000 15.88336 ? 80  ALA A HA   1 
ATOM   1374 H  HB1  . ALA A 1 80 ? -16.86476 6.39503   -46.83635 1.000 19.48176 ? 80  ALA A HB1  1 
ATOM   1375 H  HB2  . ALA A 1 80 ? -17.09763 6.10288   -45.29235 1.000 19.48176 ? 80  ALA A HB2  1 
ATOM   1376 H  HB3  . ALA A 1 80 ? -15.85807 5.45469   -46.04524 1.000 19.48176 ? 80  ALA A HB3  1 
ATOM   1377 N  N    . ASN A 1 81 ? -16.05894 3.10257   -47.70721 1.000 11.52002 ? 81  ASN A N    1 
ATOM   1378 C  CA   . ASN A 1 81 ? -15.49062 2.49054   -48.90127 1.000 12.55952 ? 81  ASN A CA   1 
ATOM   1379 C  C    . ASN A 1 81 ? -16.43051 1.45263   -49.50772 1.000 10.40996 ? 81  ASN A C    1 
ATOM   1380 O  O    . ASN A 1 81 ? -16.42047 1.23807   -50.72959 1.000 10.94722 ? 81  ASN A O    1 
ATOM   1381 C  CB   . ASN A 1 81 ? -14.16838 1.79087   -48.57753 1.000 14.36708 ? 81  ASN A CB   1 
ATOM   1382 C  CG   . ASN A 1 81 ? -13.05829 2.75197   -48.23267 1.000 18.23551 ? 81  ASN A CG   1 
ATOM   1383 O  OD1  . ASN A 1 81 ? -13.13163 3.93387   -48.53786 1.000 22.18141 ? 81  ASN A OD1  1 
ATOM   1384 N  ND2  . ASN A 1 81 ? -12.00441 2.23365   -47.60219 1.000 20.11371 ? 81  ASN A ND2  1 
ATOM   1385 H  H    . ASN A 1 81 ? -15.64010 2.91691   -46.97940 1.000 13.82100 ? 81  ASN A H    1 
ATOM   1386 H  HA   . ASN A 1 81 ? -15.32900 3.20218   -49.54029 1.000 15.06839 ? 81  ASN A HA   1 
ATOM   1387 H  HB2  . ASN A 1 81 ? -14.30121 1.20331   -47.81725 1.000 17.23747 ? 81  ASN A HB2  1 
ATOM   1388 H  HB3  . ASN A 1 81 ? -13.88768 1.27563   -49.34995 1.000 17.23747 ? 81  ASN A HB3  1 
ATOM   1389 H  HD21 . ASN A 1 81 ? -11.98525 1.39450   -47.41497 1.000 24.13343 ? 81  ASN A HD21 1 
ATOM   1390 H  HD22 . ASN A 1 81 ? -11.34363 2.73840   -47.38265 1.000 24.13343 ? 81  ASN A HD22 1 
ATOM   1391 N  N    . ALA A 1 82 ? -17.21744 0.77529   -48.67056 1.000 11.20529 ? 82  ALA A N    1 
ATOM   1392 C  CA   . ALA A 1 82 ? -18.09377 -0.28265  -49.15368 1.000 11.27039 ? 82  ALA A CA   1 
ATOM   1393 C  C    . ALA A 1 82 ? -19.36476 0.25717   -49.78186 1.000 11.97554 ? 82  ALA A C    1 
ATOM   1394 O  O    . ALA A 1 82 ? -20.01089 -0.46664  -50.54427 1.000 12.24729 ? 82  ALA A O    1 
ATOM   1395 C  CB   . ALA A 1 82 ? -18.43698 -1.25858  -48.01931 1.000 12.29461 ? 82  ALA A CB   1 
ATOM   1396 H  H    . ALA A 1 82 ? -17.25994 0.91098   -47.82240 1.000 13.44332 ? 82  ALA A H    1 
ATOM   1397 H  HA   . ALA A 1 82 ? -17.62181 -0.78946  -49.83287 1.000 13.52144 ? 82  ALA A HA   1 
ATOM   1398 H  HB1  . ALA A 1 82 ? -19.03358 -1.94281  -48.36107 1.000 14.75050 ? 82  ALA A HB1  1 
ATOM   1399 H  HB2  . ALA A 1 82 ? -17.61860 -1.66551  -47.69440 1.000 14.75050 ? 82  ALA A HB2  1 
ATOM   1400 H  HB3  . ALA A 1 82 ? -18.87054 -0.76967  -47.30246 1.000 14.75050 ? 82  ALA A HB3  1 
ATOM   1401 N  N    A ALA A 1 83 ? -19.71992 1.50871   -49.50610 0.552 10.15736 ? 83  ALA A N    1 
ATOM   1402 N  N    B ALA A 1 83 ? -19.71870 1.50892   -49.50457 0.448 17.67304 ? 83  ALA A N    1 
ATOM   1403 C  CA   . ALA A 1 83 ? -20.93915 2.10052   -50.03189 1.000 13.05092 ? 83  ALA A CA   1 
ATOM   1404 C  C    . ALA A 1 83 ? -20.77832 2.52591   -51.47915 1.000 14.88447 ? 83  ALA A C    1 
ATOM   1405 O  O    A ALA A 1 83 ? -21.79021 2.76514   -52.14978 0.552 10.84523 ? 83  ALA A O    1 
ATOM   1406 O  O    B ALA A 1 83 ? -19.64833 2.63234   -51.97078 0.448 4.83503  ? 83  ALA A O    1 
ATOM   1407 C  CB   . ALA A 1 83 ? -21.35889 3.30226   -49.16906 1.000 15.22572 ? 83  ALA A CB   1 
HETATM 1408 CL CL   . CL  B 2 .  ? -17.99203 -6.51035  -24.95654 1.000 12.92979 ? 101 CL  A CL   1 
HETATM 1409 O  O    . HOH C 3 .  ? -3.28306  3.95884   -30.79911 1.000 42.76494 ? 201 HOH A O    1 
HETATM 1410 O  O    . HOH C 3 .  ? -12.04289 -0.64576  -47.19687 1.000 26.55959 ? 202 HOH A O    1 
HETATM 1411 O  O    . HOH C 3 .  ? -7.63841  9.17605   -27.35154 1.000 24.39022 ? 203 HOH A O    1 
HETATM 1412 O  O    . HOH C 3 .  ? -18.71267 -8.90984  -37.17741 1.000 32.49418 ? 204 HOH A O    1 
HETATM 1413 O  O    . HOH C 3 .  ? -14.15725 8.68133   -39.14470 1.000 25.53943 ? 205 HOH A O    1 
HETATM 1414 O  O    . HOH C 3 .  ? -6.30732  7.01174   -35.08309 1.000 32.26725 ? 206 HOH A O    1 
HETATM 1415 O  O    . HOH C 3 .  ? -6.73320  9.44472   -29.85552 1.000 31.42104 ? 207 HOH A O    1 
HETATM 1416 O  O    . HOH C 3 .  ? -5.97700  -13.23946 -23.38990 1.000 21.19540 ? 208 HOH A O    1 
HETATM 1417 O  O    . HOH C 3 .  ? -2.12640  -9.77496  -28.91806 1.000 27.44768 ? 209 HOH A O    1 
HETATM 1418 O  O    . HOH C 3 .  ? -14.79164 -1.62923  -47.03280 1.000 16.36320 ? 210 HOH A O    1 
HETATM 1419 O  O    . HOH C 3 .  ? -13.19110 -4.67857  -39.96644 1.000 27.88911 ? 211 HOH A O    1 
HETATM 1420 O  O    . HOH C 3 .  ? -10.13461 -4.51240  -41.74686 1.000 25.23431 ? 212 HOH A O    1 
HETATM 1421 O  O    . HOH C 3 .  ? -1.30890  -3.84256  -25.74614 1.000 16.14602 ? 213 HOH A O    1 
HETATM 1422 O  O    . HOH C 3 .  ? -17.63727 5.72204   -22.51837 1.000 25.78702 ? 214 HOH A O    1 
HETATM 1423 O  O    . HOH C 3 .  ? -5.99072  8.65190   -25.26440 1.000 15.88703 ? 215 HOH A O    1 
HETATM 1424 O  O    . HOH C 3 .  ? 0.623     0.885     -3.477    1.000 24.58277 ? 216 HOH A O    1 
HETATM 1425 O  O    . HOH C 3 .  ? -22.30365 1.31073   -54.25787 1.000 23.55325 ? 217 HOH A O    1 
HETATM 1426 O  O    . HOH C 3 .  ? -11.08786 -8.68110  -40.18223 1.000 37.89904 ? 218 HOH A O    1 
HETATM 1427 O  O    . HOH C 3 .  ? -14.33096 5.92977   -49.78259 1.000 28.57804 ? 219 HOH A O    1 
HETATM 1428 O  O    . HOH C 3 .  ? -18.80461 6.44912   -49.38353 1.000 16.71553 ? 220 HOH A O    1 
HETATM 1429 O  O    . HOH C 3 .  ? -12.44981 2.56201   -3.37726  1.000 11.60838 ? 221 HOH A O    1 
HETATM 1430 O  O    . HOH C 3 .  ? -12.46213 7.60390   -33.73457 1.000 16.92954 ? 222 HOH A O    1 
HETATM 1431 O  O    . HOH C 3 .  ? -20.78055 -9.60060  -33.89753 1.000 23.06523 ? 223 HOH A O    1 
HETATM 1432 O  O    . HOH C 3 .  ? 1.725     -1.645    -19.390   1.000 17.06513 ? 224 HOH A O    1 
HETATM 1433 O  O    . HOH C 3 .  ? -6.93483  8.10336   -4.24313  1.000 27.38480 ? 225 HOH A O    1 
HETATM 1434 O  O    . HOH C 3 .  ? -15.25888 -9.09634  -3.74959  1.000 30.67452 ? 226 HOH A O    1 
HETATM 1435 O  O    . HOH C 3 .  ? -21.31431 0.70539   -46.26948 1.000 23.91626 ? 227 HOH A O    1 
HETATM 1436 O  O    . HOH C 3 .  ? -10.205   9.994     -27.445   1.000 15.98467 ? 228 HOH A O    1 
HETATM 1437 O  O    . HOH C 3 .  ? -9.013    -11.438   -13.880   1.000 20.87186 ? 229 HOH A O    1 
HETATM 1438 O  O    . HOH C 3 .  ? -19.80886 -9.77317  -2.83719  1.000 51.47803 ? 230 HOH A O    1 
HETATM 1439 O  O    . HOH C 3 .  ? -11.40280 -6.59030  -3.78614  1.000 19.60632 ? 231 HOH A O    1 
HETATM 1440 O  O    . HOH C 3 .  ? -14.78923 8.41548   -35.27730 1.000 29.70427 ? 232 HOH A O    1 
HETATM 1441 O  O    . HOH C 3 .  ? -1.88668  -4.04161  -21.39558 1.000 20.30363 ? 233 HOH A O    1 
HETATM 1442 O  O    . HOH C 3 .  ? -8.01766  -10.91645 -41.10941 1.000 24.91619 ? 234 HOH A O    1 
HETATM 1443 O  O    . HOH C 3 .  ? -20.77769 -5.46386  -17.85141 1.000 23.70831 ? 235 HOH A O    1 
HETATM 1444 O  O    . HOH C 3 .  ? -22.139   5.429     -52.611   1.000 24.55195 ? 236 HOH A O    1 
HETATM 1445 O  O    . HOH C 3 .  ? -20.74910 -2.72467  -5.15906  1.000 26.66835 ? 237 HOH A O    1 
HETATM 1446 O  O    . HOH C 3 .  ? -18.01942 -1.26084  -3.44622  1.000 14.21824 ? 238 HOH A O    1 
HETATM 1447 O  O    . HOH C 3 .  ? -18.60138 5.84389   -42.54879 1.000 23.59684 ? 239 HOH A O    1 
HETATM 1448 O  O    . HOH C 3 .  ? -0.49502  7.44028   -15.34661 1.000 18.35372 ? 240 HOH A O    1 
HETATM 1449 O  O    . HOH C 3 .  ? -15.14839 9.26429   -32.30978 1.000 47.64794 ? 241 HOH A O    1 
HETATM 1450 O  O    . HOH C 3 .  ? -5.14745  -2.07925  -6.43982  1.000 34.30318 ? 242 HOH A O    1 
HETATM 1451 O  O    . HOH C 3 .  ? -7.66590  4.23262   -38.03164 1.000 24.10752 ? 243 HOH A O    1 
HETATM 1452 O  O    . HOH C 3 .  ? -2.56893  3.54666   -28.08672 1.000 18.91971 ? 244 HOH A O    1 
HETATM 1453 O  O    . HOH C 3 .  ? -0.121    4.807     -21.857   1.000 15.12407 ? 245 HOH A O    1 
HETATM 1454 O  O    . HOH C 3 .  ? -22.11720 -0.97259  -52.27294 1.000 14.70717 ? 246 HOH A O    1 
HETATM 1455 O  O    . HOH C 3 .  ? -4.99749  -9.26174  -18.89250 1.000 24.10377 ? 247 HOH A O    1 
HETATM 1456 O  O    . HOH C 3 .  ? -22.01640 5.83127   -26.72852 1.000 18.93936 ? 248 HOH A O    1 
HETATM 1457 O  O    . HOH C 3 .  ? -17.25782 -7.38019  -28.03317 1.000 13.60404 ? 249 HOH A O    1 
HETATM 1458 O  O    . HOH C 3 .  ? -19.21878 9.02562   -5.91324  1.000 24.10138 ? 250 HOH A O    1 
HETATM 1459 O  O    . HOH C 3 .  ? -18.70993 -2.01531  -32.96029 1.000 27.37535 ? 251 HOH A O    1 
HETATM 1460 O  O    . HOH C 3 .  ? -1.85857  6.96687   -31.95372 1.000 47.78674 ? 252 HOH A O    1 
HETATM 1461 O  O    . HOH C 3 .  ? -24.10672 1.20000   -52.03219 1.000 32.77248 ? 253 HOH A O    1 
HETATM 1462 O  O    . HOH C 3 .  ? -20.42274 -5.24605  -12.96983 1.000 22.86978 ? 254 HOH A O    1 
HETATM 1463 O  O    . HOH C 3 .  ? -17.36391 -1.21560  -40.73466 1.000 29.02544 ? 255 HOH A O    1 
HETATM 1464 O  O    . HOH C 3 .  ? 4.73174   2.21022   -1.43068  1.000 15.86026 ? 256 HOH A O    1 
HETATM 1465 O  O    . HOH C 3 .  ? -13.30152 11.45536  -30.29897 1.000 23.45000 ? 257 HOH A O    1 
HETATM 1466 O  O    . HOH C 3 .  ? -19.44289 4.26611   -30.16556 1.000 29.65468 ? 258 HOH A O    1 
HETATM 1467 O  O    . HOH C 3 .  ? -6.11005  -6.12830  -40.49157 1.000 32.25827 ? 259 HOH A O    1 
HETATM 1468 O  O    . HOH C 3 .  ? -2.54863  -10.53782 -24.99984 1.000 43.19871 ? 260 HOH A O    1 
HETATM 1469 O  O    . HOH C 3 .  ? -20.36948 -0.92400  -29.59041 1.000 34.09774 ? 261 HOH A O    1 
HETATM 1470 O  O    . HOH C 3 .  ? -1.85012  8.67231   -19.59429 1.000 29.77729 ? 262 HOH A O    1 
HETATM 1471 O  O    . HOH C 3 .  ? -14.50897 -8.58708  -11.14560 1.000 17.18856 ? 263 HOH A O    1 
HETATM 1472 O  O    . HOH C 3 .  ? -8.45419  2.50731   -42.25886 1.000 32.79039 ? 264 HOH A O    1 
HETATM 1473 O  O    . HOH C 3 .  ? -12.70958 7.26896   -40.82277 1.000 17.61018 ? 265 HOH A O    1 
HETATM 1474 O  O    . HOH C 3 .  ? -19.38527 -9.70396  -10.82744 1.000 46.90398 ? 266 HOH A O    1 
HETATM 1475 O  O    . HOH C 3 .  ? -15.26812 -8.54781  -37.27739 1.000 29.62193 ? 267 HOH A O    1 
HETATM 1476 O  O    . HOH C 3 .  ? -14.71010 -10.30268 -13.26434 1.000 22.67069 ? 268 HOH A O    1 
HETATM 1477 O  O    . HOH C 3 .  ? -10.82819 -8.01804  -7.91057  1.000 22.30409 ? 269 HOH A O    1 
HETATM 1478 O  O    . HOH C 3 .  ? -11.784   -12.010   -39.962   1.000 25.84813 ? 270 HOH A O    1 
HETATM 1479 O  O    . HOH C 3 .  ? -19.86392 -5.63533  -31.50534 1.000 20.77197 ? 271 HOH A O    1 
HETATM 1480 O  O    . HOH C 3 .  ? -0.89383  10.56817  -9.54682  1.000 39.02759 ? 272 HOH A O    1 
HETATM 1481 O  O    . HOH C 3 .  ? -1.75650  8.15092   -8.15520  1.000 29.42407 ? 273 HOH A O    1 
HETATM 1482 O  O    . HOH C 3 .  ? -3.54656  -10.91670 -27.96595 1.000 37.19604 ? 274 HOH A O    1 
HETATM 1483 O  O    . HOH C 3 .  ? -14.85535 -5.92527  -37.98588 1.000 20.86707 ? 275 HOH A O    1 
HETATM 1484 O  O    . HOH C 3 .  ? -4.79000  -5.79201  -35.39286 1.000 22.64771 ? 276 HOH A O    1 
HETATM 1485 O  O    . HOH C 3 .  ? -17.34513 -9.77800  -6.55738  1.000 39.64263 ? 277 HOH A O    1 
HETATM 1486 O  O    . HOH C 3 .  ? -7.631    10.779    -38.134   1.000 24.62536 ? 278 HOH A O    1 
HETATM 1487 O  O    . HOH C 3 .  ? -12.53292 6.13119   -46.61877 1.000 43.82019 ? 279 HOH A O    1 
HETATM 1488 O  O    . HOH C 3 .  ? -20.31839 11.05444  -7.62836  1.000 35.04631 ? 280 HOH A O    1 
HETATM 1489 O  O    . HOH C 3 .  ? -19.33726 -10.56446 -26.66520 1.000 23.36421 ? 281 HOH A O    1 
HETATM 1490 O  O    . HOH C 3 .  ? -3.503    10.667    -26.170   1.000 23.54889 ? 282 HOH A O    1 
HETATM 1491 O  O    . HOH C 3 .  ? -3.95938  -3.53928  -28.70491 1.000 39.61658 ? 283 HOH A O    1 
HETATM 1492 O  O    . HOH C 3 .  ? -6.49222  7.43644   -32.85472 1.000 32.50548 ? 284 HOH A O    1 
HETATM 1493 O  O    . HOH C 3 .  ? -3.686    1.341     -1.288    1.000 45.39026 ? 285 HOH A O    1 
HETATM 1494 O  O    . HOH C 3 .  ? -5.81832  11.56671  -28.07329 1.000 27.19810 ? 286 HOH A O    1 
HETATM 1495 O  O    . HOH C 3 .  ? -11.53571 -9.24444  -4.73837  1.000 42.21789 ? 287 HOH A O    1 
HETATM 1496 O  O    . HOH C 3 .  ? -2.00987  -8.83766  -24.09841 1.000 53.09468 ? 288 HOH A O    1 
HETATM 1497 O  O    . HOH C 3 .  ? -19.151   -8.975    -20.318   1.000 34.96522 ? 289 HOH A O    1 
HETATM 1498 O  O    . HOH C 3 .  ? -15.84370 4.54131   -23.20263 1.000 32.67630 ? 290 HOH A O    1 
HETATM 1499 O  O    . HOH C 3 .  ? -17.77282 6.58219   -18.32618 1.000 73.61747 ? 291 HOH A O    1 
HETATM 1500 O  O    . HOH C 3 .  ? -14.46479 6.99662   -2.72471  1.000 43.49253 ? 292 HOH A O    1 
HETATM 1501 O  O    . HOH C 3 .  ? -14.31669 6.01261   -28.85203 1.000 38.01502 ? 293 HOH A O    1 
HETATM 1502 O  O    . HOH C 3 .  ? -17.713   13.123    -10.149   1.000 39.56243 ? 294 HOH A O    1 
HETATM 1503 O  O    . HOH C 3 .  ? -14.19500 7.64681   -43.10471 1.000 30.89058 ? 295 HOH A O    1 
HETATM 1504 O  O    . HOH C 3 .  ? -22.46379 -1.05736  -48.10155 1.000 29.05582 ? 296 HOH A O    1 
HETATM 1505 O  O    . HOH C 3 .  ? -22.30643 -7.47154  -34.28967 1.000 38.09844 ? 297 HOH A O    1 
HETATM 1506 O  O    . HOH C 3 .  ? -17.62562 -10.29756 -3.23576  1.000 45.89807 ? 298 HOH A O    1 
HETATM 1507 O  O    . HOH C 3 .  ? -22.362   -3.991    -30.772   1.000 66.96937 ? 299 HOH A O    1 
HETATM 1508 O  O    . HOH C 3 .  ? -18.09554 -2.09670  -43.68783 1.000 32.32328 ? 300 HOH A O    1 
HETATM 1509 O  O    . HOH C 3 .  ? -19.461   -6.601    -22.043   1.000 24.51454 ? 301 HOH A O    1 
HETATM 1510 O  O    . HOH C 3 .  ? -1.471    9.034     -16.749   1.000 34.93552 ? 302 HOH A O    1 
HETATM 1511 O  O    . HOH C 3 .  ? -0.113    5.051     -32.123   1.000 66.22730 ? 303 HOH A O    1 
HETATM 1512 O  O    . HOH C 3 .  ? -16.66846 9.50278   -40.26656 1.000 42.12965 ? 304 HOH A O    1 
HETATM 1513 O  O    . HOH C 3 .  ? -4.552    -2.462    -3.945    1.000 31.57008 ? 305 HOH A O    1 
HETATM 1514 O  O    . HOH C 3 .  ? -21.304   -6.514    -25.751   1.000 19.19361 ? 306 HOH A O    1 
HETATM 1515 O  O    . HOH C 3 .  ? -8.41300  -6.28428  -6.96146  1.000 36.52568 ? 307 HOH A O    1 
HETATM 1516 O  O    . HOH C 3 .  ? -14.27027 4.91044   -27.11610 1.000 34.68163 ? 308 HOH A O    1 
HETATM 1517 O  O    . HOH C 3 .  ? -16.794   7.181     -13.774   1.000 28.83554 ? 309 HOH A O    1 
HETATM 1518 O  O    . HOH C 3 .  ? -10.423   -10.555   -8.892    1.000 25.41423 ? 310 HOH A O    1 
HETATM 1519 O  O    . HOH C 3 .  ? -5.25713  -5.43978  -20.22388 1.000 42.42948 ? 311 HOH A O    1 
HETATM 1520 O  O    . HOH C 3 .  ? -1.63545  -6.77397  -22.72562 1.000 41.36849 ? 312 HOH A O    1 
HETATM 1521 O  O    . HOH C 3 .  ? -16.08958 -3.55171  -45.68314 1.000 31.04568 ? 313 HOH A O    1 
HETATM 1522 O  O    . HOH C 3 .  ? -13.37194 11.53629  -32.97728 1.000 26.87150 ? 314 HOH A O    1 
HETATM 1523 O  O    . HOH C 3 .  ? -6.379    0.292     -1.564    1.000 40.18980 ? 315 HOH A O    1 
HETATM 1524 O  O    . HOH C 3 .  ? -1.183    -7.332    -28.348   1.000 24.27208 ? 316 HOH A O    1 
HETATM 1525 O  O    . HOH C 3 .  ? -5.69781  5.57709   -36.72693 1.000 48.73037 ? 317 HOH A O    1 
HETATM 1526 O  O    . HOH C 3 .  ? -1.78276  -1.94024  -31.28891 1.000 66.82979 ? 318 HOH A O    1 
HETATM 1527 O  O    . HOH C 3 .  ? 0.197     -10.007   -30.992   1.000 28.14734 ? 319 HOH A O    1 
HETATM 1528 O  O    . HOH C 3 .  ? -7.29743  -4.03427  -9.18958  1.000 46.47993 ? 320 HOH A O    1 
HETATM 1529 O  O    . HOH C 3 .  ? -16.14746 7.65767   -49.52273 1.000 27.39312 ? 321 HOH A O    1 
HETATM 1530 O  O    . HOH C 3 .  ? -13.90021 7.82482   -45.15717 1.000 37.20262 ? 322 HOH A O    1 
HETATM 1531 O  O    . HOH C 3 .  ? -17.997   5.849     -14.666   1.000 35.17991 ? 323 HOH A O    1 
HETATM 1532 O  O    . HOH C 3 .  ? -20.041   -4.191    -20.193   1.000 13.96620 ? 324 HOH A O    1 
HETATM 1533 O  O    . HOH C 3 .  ? 1.97798   7.69413   -14.12304 1.000 24.57365 ? 325 HOH A O    1 
HETATM 1534 O  O    . HOH C 3 .  ? -10.33493 8.78369   -40.78938 1.000 33.42484 ? 326 HOH A O    1 
HETATM 1535 O  O    . HOH C 3 .  ? -2.750    10.586    -18.100   1.000 37.07583 ? 327 HOH A O    1 
HETATM 1536 O  O    . HOH C 3 .  ? -4.242    -14.966   -24.087   1.000 36.60208 ? 328 HOH A O    1 
HETATM 1537 O  O    . HOH C 3 .  ? -19.865   7.539     -20.104   1.000 58.31737 ? 329 HOH A O    1 
HETATM 1538 O  O    . HOH C 3 .  ? -8.036    -10.961   -11.325   1.000 39.58860 ? 330 HOH A O    1 
HETATM 1539 O  O    . HOH C 3 .  ? -23.649   -4.388    -16.753   1.000 40.50682 ? 331 HOH A O    1 
HETATM 1540 O  O    . HOH C 3 .  ? -16.73768 -9.46083  -9.44817  1.000 36.81950 ? 332 HOH A O    1 
HETATM 1541 O  O    . HOH C 3 .  ? -18.68014 8.85218   -3.81201  1.000 46.55924 ? 333 HOH A O    1 
HETATM 1542 O  O    . HOH C 3 .  ? -22.773   -2.748    -28.540   1.000 39.63189 ? 334 HOH A O    1 
HETATM 1543 O  O    . HOH C 3 .  ? 0.521     6.619     -28.796   1.000 30.98435 ? 335 HOH A O    1 
HETATM 1544 O  O    . HOH C 3 .  ? -13.93427 4.12432   -1.67974  1.000 22.17539 ? 336 HOH A O    1 
HETATM 1545 O  O    . HOH C 3 .  ? -3.80934  -3.53956  -19.62059 1.000 27.43744 ? 337 HOH A O    1 
HETATM 1546 O  O    . HOH C 3 .  ? -19.60552 -7.54648  -29.72598 1.000 22.77072 ? 338 HOH A O    1 
HETATM 1547 O  O    . HOH C 3 .  ? -2.58571  -5.14441  -29.31562 1.000 44.47355 ? 339 HOH A O    1 
HETATM 1548 O  O    . HOH C 3 .  ? -16.832   13.399    -7.690    1.000 35.84162 ? 340 HOH A O    1 
HETATM 1549 O  O    . HOH C 3 .  ? -20.40887 -1.61166  -44.69251 1.000 31.94828 ? 341 HOH A O    1 
HETATM 1550 O  O    . HOH C 3 .  ? -23.792   -4.149    -14.246   1.000 39.40190 ? 342 HOH A O    1 
HETATM 1551 O  O    . HOH C 3 .  ? -5.82763  -3.28644  -19.40911 1.000 31.67549 ? 343 HOH A O    1 
HETATM 1552 O  O    . HOH C 3 .  ? -13.03172 4.79920   0.85342   1.000 26.43471 ? 344 HOH A O    1 
HETATM 1553 O  O    . HOH C 3 .  ? -1.13658  -9.39713  -26.96641 1.000 42.34589 ? 345 HOH A O    1 
HETATM 1554 O  O    . HOH C 3 .  ? -15.357   11.386    -6.179    1.000 50.62643 ? 346 HOH A O    1 
HETATM 1555 O  O    . HOH C 3 .  ? -3.31249  -7.63372  -17.23942 1.000 34.07530 ? 347 HOH A O    1 
HETATM 1556 O  O    . HOH C 3 .  ? -1.916    -3.957    -11.198   1.000 47.23963 ? 348 HOH A O    1 
HETATM 1557 O  O    . HOH C 3 .  ? -21.62321 7.05911   -48.02679 1.000 42.95674 ? 349 HOH A O    1 
HETATM 1558 O  O    . HOH C 3 .  ? -16.11554 9.35034   -47.04961 1.000 39.79632 ? 350 HOH A O    1 
# 
loop_
_atom_site_anisotrop.id 
_atom_site_anisotrop.type_symbol 
_atom_site_anisotrop.pdbx_label_atom_id 
_atom_site_anisotrop.pdbx_label_alt_id 
_atom_site_anisotrop.pdbx_label_comp_id 
_atom_site_anisotrop.pdbx_label_asym_id 
_atom_site_anisotrop.pdbx_label_seq_id 
_atom_site_anisotrop.pdbx_PDB_ins_code 
_atom_site_anisotrop.U[1][1] 
_atom_site_anisotrop.U[2][2] 
_atom_site_anisotrop.U[3][3] 
_atom_site_anisotrop.U[1][2] 
_atom_site_anisotrop.U[1][3] 
_atom_site_anisotrop.U[2][3] 
_atom_site_anisotrop.pdbx_auth_seq_id 
_atom_site_anisotrop.pdbx_auth_comp_id 
_atom_site_anisotrop.pdbx_auth_asym_id 
_atom_site_anisotrop.pdbx_auth_atom_id 
5    N  N   . MET A 2  ? 0.20594 0.25268 0.26514 -0.05390 0.01578  -0.00681 2   MET A N   
6    C  CA  A MET A 2  ? 0.17589 0.22800 0.23655 -0.06744 0.01729  -0.01353 2   MET A CA  
7    C  CA  B MET A 2  ? 0.17757 0.23703 0.24574 -0.04497 0.01981  -0.01613 2   MET A CA  
8    C  C   . MET A 2  ? 0.16657 0.18254 0.21901 -0.05203 0.03911  -0.02721 2   MET A C   
9    O  O   . MET A 2  ? 0.20506 0.19423 0.23241 -0.00553 0.03423  -0.04247 2   MET A O   
10   C  CB  A MET A 2  ? 0.20689 0.22886 0.22935 -0.07956 0.00334  -0.00224 2   MET A CB  
11   C  CB  B MET A 2  ? 0.18538 0.26530 0.25401 -0.02483 0.00758  -0.01267 2   MET A CB  
12   C  CG  A MET A 2  ? 0.22872 0.23662 0.22019 -0.09487 -0.01071 0.00332  2   MET A CG  
13   C  CG  B MET A 2  ? 0.19889 0.29312 0.26045 -0.00945 0.00165  -0.00922 2   MET A CG  
14   S  SD  A MET A 2  ? 0.28928 0.26631 0.21202 -0.09291 -0.02332 0.01557  2   MET A SD  
15   S  SD  B MET A 2  ? 0.22825 0.31865 0.26671 0.00513  -0.00038 -0.00332 2   MET A SD  
16   C  CE  A MET A 2  ? 0.29378 0.26371 0.21062 -0.09408 -0.03236 0.02186  2   MET A CE  
17   C  CE  B MET A 2  ? 0.21014 0.32297 0.26812 0.00029  0.00208  -0.00243 2   MET A CE  
34   N  N   . SER A 3  ? 0.19948 0.13503 0.17503 -0.02310 0.04519  0.00301  3   SER A N   
35   C  CA  . SER A 3  ? 0.16793 0.11882 0.13837 0.01828  0.04127  0.01123  3   SER A CA  
36   C  C   . SER A 3  ? 0.18503 0.10812 0.13629 -0.01829 0.03920  0.00379  3   SER A C   
37   O  O   . SER A 3  ? 0.15511 0.11158 0.14869 -0.00218 0.02199  -0.00332 3   SER A O   
38   C  CB  . SER A 3  ? 0.16345 0.13520 0.13001 0.02944  0.03845  0.02365  3   SER A CB  
39   O  OG  . SER A 3  ? 0.20954 0.13759 0.13022 0.01447  0.03005  0.00738  3   SER A OG  
45   N  N   . THR A 4  ? 0.17667 0.10054 0.13239 0.01063  0.02062  0.00996  4   THR A N   
46   C  CA  . THR A 4  ? 0.12836 0.09323 0.11783 0.02438  -0.00026 0.00279  4   THR A CA  
47   C  C   . THR A 4  ? 0.12890 0.11356 0.10988 0.01028  -0.00790 -0.00524 4   THR A C   
48   O  O   . THR A 4  ? 0.18477 0.11277 0.09237 -0.01207 0.01578  0.00610  4   THR A O   
49   C  CB  . THR A 4  ? 0.15630 0.11423 0.11762 0.01407  0.02154  -0.00199 4   THR A CB  
50   O  OG1 . THR A 4  ? 0.16878 0.07975 0.12349 0.01498  0.03372  0.00757  4   THR A OG1 
51   C  CG2 . THR A 4  ? 0.14745 0.12166 0.12329 0.01655  0.02211  -0.00486 4   THR A CG2 
59   N  N   . GLY A 5  ? 0.13840 0.10873 0.11769 0.02935  0.00494  -0.00720 5   GLY A N   
60   C  CA  . GLY A 5  ? 0.15073 0.13568 0.12543 0.00469  0.02020  -0.00119 5   GLY A CA  
61   C  C   . GLY A 5  ? 0.18106 0.11009 0.12704 0.02238  0.01858  0.00279  5   GLY A C   
62   O  O   . GLY A 5  ? 0.15621 0.10503 0.11779 0.00372  0.02420  -0.00613 5   GLY A O   
66   N  N   . ASP A 6  ? 0.17428 0.09203 0.14013 0.00965  0.00972  0.00628  6   ASP A N   
67   C  CA  . ASP A 6  ? 0.15266 0.09884 0.15259 0.01799  0.00407  0.00337  6   ASP A CA  
68   C  C   . ASP A 6  ? 0.15817 0.11267 0.13517 0.01281  0.02364  -0.00665 6   ASP A C   
69   O  O   . ASP A 6  ? 0.18485 0.10809 0.14090 0.00640  0.01806  0.00385  6   ASP A O   
70   C  CB  . ASP A 6  ? 0.22610 0.10197 0.17586 -0.01166 0.01252  0.00665  6   ASP A CB  
71   C  CG  . ASP A 6  ? 0.27839 0.12922 0.18741 0.01675  0.04262  0.00481  6   ASP A CG  
72   O  OD1 . ASP A 6  ? 0.30677 0.12837 0.19074 0.04069  0.03813  0.00913  6   ASP A OD1 
73   O  OD2 . ASP A 6  ? 0.26460 0.12943 0.19423 -0.00810 0.07224  0.01075  6   ASP A OD2 
78   N  N   . PHE A 7  ? 0.18966 0.11277 0.12482 -0.00157 0.00644  -0.01892 7   PHE A N   
79   C  CA  . PHE A 7  ? 0.15908 0.12421 0.12371 0.03800  0.00758  -0.00679 7   PHE A CA  
80   C  C   . PHE A 7  ? 0.16087 0.08242 0.12185 0.01603  -0.00417 -0.00366 7   PHE A C   
81   O  O   . PHE A 7  ? 0.19222 0.10445 0.12201 0.02342  -0.01660 -0.00962 7   PHE A O   
82   C  CB  . PHE A 7  ? 0.15324 0.14120 0.12179 0.03608  -0.00740 -0.01689 7   PHE A CB  
83   C  CG  . PHE A 7  ? 0.13771 0.18823 0.13343 0.04444  -0.01114 -0.02752 7   PHE A CG  
84   C  CD1 . PHE A 7  ? 0.17452 0.29876 0.14648 0.04014  -0.00278 -0.01849 7   PHE A CD1 
85   C  CD2 . PHE A 7  ? 0.14939 0.18004 0.14068 0.03092  0.03636  -0.01248 7   PHE A CD2 
86   C  CE1 . PHE A 7  ? 0.20235 0.31409 0.14169 0.02440  0.00933  -0.01561 7   PHE A CE1 
87   C  CE2 . PHE A 7  ? 0.17455 0.19887 0.14440 0.01934  0.01221  -0.01517 7   PHE A CE2 
88   C  CZ  . PHE A 7  ? 0.25028 0.25443 0.14314 0.00948  0.02643  -0.01999 7   PHE A CZ  
98   N  N   . CYS A 8  ? 0.15342 0.07790 0.12388 -0.00199 -0.00139 -0.00334 8   CYS A N   
99   C  CA  A CYS A 8  ? 0.16033 0.09105 0.12429 -0.00240 0.01045  -0.01013 8   CYS A CA  
100  C  CA  B CYS A 8  ? 0.19039 0.08226 0.12493 0.02684  -0.01195 0.00509  8   CYS A CA  
101  C  C   . CYS A 8  ? 0.15751 0.08972 0.12375 0.00169  0.00824  -0.01337 8   CYS A C   
102  O  O   . CYS A 8  ? 0.18596 0.09467 0.12473 0.01915  0.01430  -0.01860 8   CYS A O   
103  C  CB  A CYS A 8  ? 0.15137 0.10099 0.12493 -0.01254 0.02865  -0.01686 8   CYS A CB  
104  C  CB  B CYS A 8  ? 0.17832 0.06666 0.13014 0.01665  -0.01188 -0.00907 8   CYS A CB  
105  S  SG  A CYS A 8  ? 0.13376 0.11535 0.12665 -0.02168 0.05098  -0.01982 8   CYS A SG  
106  S  SG  B CYS A 8  ? 0.18168 0.11333 0.14923 -0.00685 0.00460  -0.00178 8   CYS A SG  
113  N  N   . THR A 9  ? 0.16370 0.07487 0.11123 0.02453  0.00731  0.00994  9   THR A N   
114  C  CA  . THR A 9  ? 0.18827 0.06686 0.11816 -0.00038 0.00373  0.00520  9   THR A CA  
115  C  C   . THR A 9  ? 0.17275 0.07798 0.12569 -0.00833 0.01973  0.01137  9   THR A C   
116  O  O   . THR A 9  ? 0.17779 0.09115 0.12782 0.00094  0.01618  0.00506  9   THR A O   
117  C  CB  . THR A 9  ? 0.21509 0.08435 0.13208 0.02032  -0.00737 -0.00671 9   THR A CB  
118  O  OG1 . THR A 9  ? 0.27359 0.11527 0.14071 0.04348  -0.01682 -0.01119 9   THR A OG1 
119  C  CG2 . THR A 9  ? 0.28607 0.09560 0.13503 0.02857  0.01007  0.00091  9   THR A CG2 
127  N  N   . LYS A 10 ? 0.20413 0.08628 0.12431 0.00274  0.03609  0.00521  10  LYS A N   
128  C  CA  A LYS A 10 ? 0.17757 0.10328 0.13277 0.01477  0.02633  0.00501  10  LYS A CA  
129  C  CA  B LYS A 10 ? 0.14010 0.10041 0.13336 -0.01420 0.02599  0.00195  10  LYS A CA  
130  C  C   . LYS A 10 ? 0.16291 0.06522 0.11982 0.01801  0.02430  -0.00727 10  LYS A C   
131  O  O   . LYS A 10 ? 0.17523 0.09634 0.11561 0.00836  0.01780  -0.02831 10  LYS A O   
132  C  CB  A LYS A 10 ? 0.20961 0.15143 0.14860 0.05228  0.02766  0.00638  10  LYS A CB  
133  C  CB  B LYS A 10 ? 0.13123 0.14671 0.14918 -0.02131 0.02457  -0.00227 10  LYS A CB  
134  C  CG  A LYS A 10 ? 0.24748 0.19019 0.15795 0.07127  0.00408  0.01330  10  LYS A CG  
135  C  CG  B LYS A 10 ? 0.16053 0.17695 0.15704 -0.01370 -0.00930 -0.00624 10  LYS A CG  
136  C  CD  A LYS A 10 ? 0.28931 0.20530 0.16262 0.09591  -0.02353 0.01930  10  LYS A CD  
137  C  CD  B LYS A 10 ? 0.22055 0.22983 0.16730 -0.03851 -0.02157 -0.00167 10  LYS A CD  
138  C  CE  A LYS A 10 ? 0.27820 0.21824 0.16993 0.08726  -0.05639 0.02525  10  LYS A CE  
139  C  CE  B LYS A 10 ? 0.29615 0.26420 0.17663 -0.06444 -0.01682 0.01442  10  LYS A CE  
140  N  NZ  A LYS A 10 ? 0.36543 0.24814 0.17571 0.04627  -0.06814 0.02963  10  LYS A NZ  
141  N  NZ  B LYS A 10 ? 0.33020 0.29330 0.18586 -0.09108 -0.00857 0.02496  10  LYS A NZ  
166  N  N   . GLY A 11 ? 0.16123 0.05491 0.11562 0.01013  0.03554  -0.00007 11  GLY A N   
167  C  CA  . GLY A 11 ? 0.13995 0.08739 0.10952 0.03597  -0.00133 -0.01136 11  GLY A CA  
168  C  C   . GLY A 11 ? 0.13861 0.05945 0.11567 0.01859  -0.01759 0.01438  11  GLY A C   
169  O  O   . GLY A 11 ? 0.17484 0.06881 0.11803 0.00328  -0.00407 0.00838  11  GLY A O   
173  N  N   . ILE A 12 ? 0.13555 0.09679 0.12367 0.00553  -0.01167 0.00158  12  ILE A N   
174  C  CA  . ILE A 12 ? 0.14176 0.10423 0.11770 0.02700  -0.01475 -0.00897 12  ILE A CA  
175  C  C   . ILE A 12 ? 0.12008 0.08796 0.11100 0.01566  0.00297  -0.01177 12  ILE A C   
176  O  O   . ILE A 12 ? 0.13123 0.12018 0.10657 0.00041  -0.00081 -0.00893 12  ILE A O   
177  C  CB  . ILE A 12 ? 0.12511 0.10816 0.13111 0.02425  -0.01055 -0.00657 12  ILE A CB  
178  C  CG1 . ILE A 12 ? 0.18249 0.14402 0.14013 0.00504  -0.02332 -0.01392 12  ILE A CG1 
179  C  CG2 . ILE A 12 ? 0.15536 0.12213 0.15181 0.01469  -0.02122 0.00331  12  ILE A CG2 
180  C  CD1 . ILE A 12 ? 0.25414 0.16958 0.15310 -0.00156 -0.03300 -0.01225 12  ILE A CD1 
192  N  N   . GLU A 13 ? 0.14342 0.06636 0.12046 -0.00891 0.00975  -0.00471 13  GLU A N   
193  C  CA  . GLU A 13 ? 0.13291 0.07082 0.13226 0.01643  0.01055  -0.00413 13  GLU A CA  
194  C  C   . GLU A 13 ? 0.11440 0.06327 0.13095 0.00277  0.01489  0.00053  13  GLU A C   
195  O  O   . GLU A 13 ? 0.13908 0.06746 0.11963 0.01025  0.01906  0.00545  13  GLU A O   
196  C  CB  . GLU A 13 ? 0.14501 0.08309 0.14395 -0.00268 -0.00534 0.00197  13  GLU A CB  
197  C  CG  . GLU A 13 ? 0.19770 0.09378 0.15660 0.01838  -0.00891 0.01334  13  GLU A CG  
198  C  CD  . GLU A 13 ? 0.26884 0.18204 0.17328 0.00317  0.00535  0.05071  13  GLU A CD  
199  O  OE1 . GLU A 13 ? 0.32307 0.28052 0.19440 -0.05108 0.03150  0.06916  13  GLU A OE1 
200  O  OE2 . GLU A 13 ? 0.24793 0.14645 0.16727 -0.00746 0.01663  0.04490  13  GLU A OE2 
207  N  N   . LEU A 14 ? 0.15575 0.04905 0.12571 0.00896  0.01076  0.01995  14  LEU A N   
208  C  CA  . LEU A 14 ? 0.14137 0.05149 0.11826 0.00306  -0.00622 0.01718  14  LEU A CA  
209  C  C   . LEU A 14 ? 0.11319 0.04666 0.11053 -0.02038 -0.01262 0.00399  14  LEU A C   
210  O  O   . LEU A 14 ? 0.11578 0.07556 0.09855 0.00286  -0.00200 0.00003  14  LEU A O   
211  C  CB  . LEU A 14 ? 0.12386 0.08541 0.11657 0.00175  -0.00710 0.00067  14  LEU A CB  
212  C  CG  . LEU A 14 ? 0.13172 0.12405 0.12974 0.00474  -0.00011 -0.01056 14  LEU A CG  
213  C  CD1 . LEU A 14 ? 0.12443 0.12781 0.13867 0.01943  0.02556  0.00313  14  LEU A CD1 
214  C  CD2 . LEU A 14 ? 0.20927 0.15918 0.15445 -0.03885 -0.00679 -0.03541 14  LEU A CD2 
226  N  N   . VAL A 15 ? 0.11473 0.07625 0.11540 -0.01283 -0.00211 -0.00020 15  VAL A N   
227  C  CA  . VAL A 15 ? 0.16504 0.07952 0.11919 -0.04741 0.01414  -0.00642 15  VAL A CA  
228  C  C   . VAL A 15 ? 0.11261 0.06832 0.10673 -0.00815 -0.00148 -0.00091 15  VAL A C   
229  O  O   . VAL A 15 ? 0.16120 0.09612 0.09481 -0.01967 0.01553  -0.00020 15  VAL A O   
230  C  CB  . VAL A 15 ? 0.20840 0.09212 0.12679 -0.04882 0.00621  0.01330  15  VAL A CB  
231  C  CG1 . VAL A 15 ? 0.18534 0.14889 0.12814 -0.06336 0.00829  -0.00092 15  VAL A CG1 
232  C  CG2 . VAL A 15 ? 0.25761 0.07183 0.13413 -0.03304 0.00837  -0.00003 15  VAL A CG2 
242  N  N   . GLN A 16 ? 0.15437 0.08669 0.11577 0.02191  0.01029  0.00461  16  GLN A N   
243  C  CA  . GLN A 16 ? 0.13825 0.10061 0.12619 0.03177  -0.03717 0.01569  16  GLN A CA  
244  C  C   . GLN A 16 ? 0.13695 0.08644 0.12831 0.02514  -0.00058 0.01282  16  GLN A C   
245  O  O   . GLN A 16 ? 0.12463 0.10348 0.12319 0.01411  0.01689  0.00639  16  GLN A O   
246  C  CB  . GLN A 16 ? 0.16771 0.14547 0.12951 0.04870  -0.02544 0.00180  16  GLN A CB  
247  C  CG  . GLN A 16 ? 0.18851 0.24738 0.14561 0.11488  -0.03540 0.00227  16  GLN A CG  
248  C  CD  . GLN A 16 ? 0.19757 0.34920 0.16401 0.10642  -0.01735 -0.01335 16  GLN A CD  
249  O  OE1 . GLN A 16 ? 0.24893 0.37177 0.16788 0.09467  0.00017  0.00360  16  GLN A OE1 
250  N  NE2 . GLN A 16 ? 0.16996 0.40702 0.18141 0.06044  -0.01041 -0.01673 16  GLN A NE2 
259  N  N   . LYS A 17 ? 0.12496 0.08319 0.13515 0.02859  0.00279  0.00387  17  LYS A N   
260  C  CA  . LYS A 17 ? 0.14392 0.06769 0.13658 0.02409  0.00398  0.02566  17  LYS A CA  
261  C  C   . LYS A 17 ? 0.11812 0.06107 0.11263 0.00723  0.04109  0.00327  17  LYS A C   
262  O  O   . LYS A 17 ? 0.13408 0.06042 0.11294 0.00592  0.02166  -0.00763 17  LYS A O   
263  C  CB  . LYS A 17 ? 0.11961 0.08309 0.15428 0.00330  0.01869  0.01607  17  LYS A CB  
264  C  CG  . LYS A 17 ? 0.12532 0.10214 0.17215 -0.01368 0.01893  -0.00130 17  LYS A CG  
265  C  CD  . LYS A 17 ? 0.17979 0.14345 0.19911 -0.05664 0.02560  -0.01275 17  LYS A CD  
266  C  CE  . LYS A 17 ? 0.23118 0.13307 0.22920 0.00769  0.01348  -0.02698 17  LYS A CE  
267  N  NZ  . LYS A 17 ? 0.20880 0.11430 0.25643 0.02948  0.02294  -0.00402 17  LYS A NZ  
281  N  N   . ALA A 18 ? 0.11088 0.04688 0.10812 0.00495  0.00275  -0.00653 18  ALA A N   
282  C  CA  . ALA A 18 ? 0.13394 0.05437 0.09683 -0.01755 0.01046  0.00631  18  ALA A CA  
283  C  C   . ALA A 18 ? 0.16947 0.06289 0.10966 -0.01319 0.01306  0.00507  18  ALA A C   
284  O  O   . ALA A 18 ? 0.11714 0.08274 0.10996 -0.00653 0.00247  0.00226  18  ALA A O   
285  C  CB  . ALA A 18 ? 0.10477 0.07378 0.08983 -0.00191 0.00470  0.01609  18  ALA A CB  
291  N  N   . ILE A 19 ? 0.14117 0.06667 0.11467 -0.00177 -0.00154 -0.01260 19  ILE A N   
292  C  CA  . ILE A 19 ? 0.13227 0.08712 0.12604 -0.00086 -0.00058 -0.00661 19  ILE A CA  
293  C  C   . ILE A 19 ? 0.11357 0.09165 0.12111 0.02644  -0.00706 -0.00524 19  ILE A C   
294  O  O   . ILE A 19 ? 0.13235 0.10075 0.11151 0.00815  0.02565  -0.00870 19  ILE A O   
295  C  CB  . ILE A 19 ? 0.12686 0.09213 0.13867 0.01496  0.00450  -0.00336 19  ILE A CB  
296  C  CG1 . ILE A 19 ? 0.14858 0.11585 0.13406 -0.01718 0.01124  -0.00671 19  ILE A CG1 
297  C  CG2 . ILE A 19 ? 0.14098 0.13987 0.15542 0.02112  -0.02866 -0.00228 19  ILE A CG2 
298  C  CD1 . ILE A 19 ? 0.12755 0.12554 0.14318 -0.03101 0.01139  -0.02270 19  ILE A CD1 
310  N  N   . ASP A 20 ? 0.12386 0.08579 0.12629 -0.00183 -0.00613 0.00990  20  ASP A N   
311  C  CA  . ASP A 20 ? 0.14605 0.05404 0.13442 0.01744  -0.01239 0.01446  20  ASP A CA  
312  C  C   . ASP A 20 ? 0.12066 0.06353 0.12902 0.00007  0.02329  -0.00117 20  ASP A C   
313  O  O   . ASP A 20 ? 0.13829 0.09418 0.12714 0.01898  0.02390  -0.00369 20  ASP A O   
314  C  CB  . ASP A 20 ? 0.13690 0.08653 0.14042 0.02211  0.00215  0.01577  20  ASP A CB  
315  C  CG  . ASP A 20 ? 0.15876 0.11873 0.16346 0.00025  -0.02203 0.03300  20  ASP A CG  
316  O  OD1 . ASP A 20 ? 0.17217 0.14732 0.17540 -0.01339 -0.04493 0.06616  20  ASP A OD1 
317  O  OD2 . ASP A 20 ? 0.19022 0.15091 0.16430 0.00447  0.01496  0.03647  20  ASP A OD2 
322  N  N   . LEU A 21 ? 0.11585 0.07397 0.11771 0.01012  -0.00200 -0.01551 21  LEU A N   
323  C  CA  . LEU A 21 ? 0.11069 0.08519 0.12067 -0.01397 0.01094  -0.00458 21  LEU A CA  
324  C  C   . LEU A 21 ? 0.15038 0.06587 0.10912 0.00041  0.03155  -0.01785 21  LEU A C   
325  O  O   . LEU A 21 ? 0.15856 0.09884 0.10702 0.00581  0.01340  -0.02634 21  LEU A O   
326  C  CB  . LEU A 21 ? 0.13214 0.07717 0.13143 -0.00294 -0.00335 -0.01091 21  LEU A CB  
327  C  CG  . LEU A 21 ? 0.12908 0.09331 0.13852 0.00073  -0.00974 -0.00448 21  LEU A CG  
328  C  CD1 . LEU A 21 ? 0.11653 0.12705 0.14377 0.00971  0.00042  0.00185  21  LEU A CD1 
329  C  CD2 . LEU A 21 ? 0.15106 0.12236 0.14852 -0.01653 -0.00274 -0.01130 21  LEU A CD2 
341  N  N   . ASP A 22 ? 0.12152 0.07712 0.12168 -0.01616 0.00667  -0.01816 22  ASP A N   
342  C  CA  . ASP A 22 ? 0.13922 0.07691 0.11747 -0.00984 0.02132  -0.00598 22  ASP A CA  
343  C  C   . ASP A 22 ? 0.15108 0.08392 0.13568 -0.01728 0.04295  -0.01028 22  ASP A C   
344  O  O   . ASP A 22 ? 0.17009 0.07132 0.14880 -0.01628 0.06495  -0.01501 22  ASP A O   
345  C  CB  . ASP A 22 ? 0.14510 0.09215 0.13166 -0.03247 0.00838  -0.00307 22  ASP A CB  
346  C  CG  . ASP A 22 ? 0.17559 0.09273 0.13644 -0.02461 0.01996  -0.03155 22  ASP A CG  
347  O  OD1 . ASP A 22 ? 0.26876 0.10640 0.13625 -0.04133 0.05400  -0.01836 22  ASP A OD1 
348  O  OD2 . ASP A 22 ? 0.14884 0.08112 0.13614 -0.02163 0.00542  -0.00970 22  ASP A OD2 
353  N  N   . THR A 23 ? 0.12491 0.11177 0.14302 0.00602  0.02308  -0.01466 23  THR A N   
354  C  CA  . THR A 23 ? 0.12844 0.13403 0.15091 0.01367  -0.00030 -0.01889 23  THR A CA  
355  C  C   . THR A 23 ? 0.14199 0.12123 0.14127 0.01295  0.02240  -0.02652 23  THR A C   
356  O  O   . THR A 23 ? 0.18785 0.14555 0.14350 0.03951  0.04433  -0.02345 23  THR A O   
357  C  CB  . THR A 23 ? 0.12993 0.17786 0.16702 0.02887  -0.01230 -0.03695 23  THR A CB  
358  O  OG1 . THR A 23 ? 0.23265 0.20524 0.18637 -0.01150 -0.01624 -0.04221 23  THR A OG1 
359  C  CG2 . THR A 23 ? 0.18083 0.19077 0.16620 0.05584  0.00695  -0.02761 23  THR A CG2 
367  N  N   . ALA A 24 ? 0.14252 0.08710 0.13655 0.01989  0.00273  -0.00404 24  ALA A N   
368  C  CA  . ALA A 24 ? 0.15719 0.12331 0.12636 0.01693  0.00269  -0.01508 24  ALA A CA  
369  C  C   . ALA A 24 ? 0.14683 0.09369 0.12034 0.03294  -0.00489 -0.01155 24  ALA A C   
370  O  O   . ALA A 24 ? 0.14298 0.10263 0.12641 0.01694  -0.01693 0.00842  24  ALA A O   
371  C  CB  . ALA A 24 ? 0.19487 0.12251 0.12936 0.00737  0.00271  -0.01356 24  ALA A CB  
377  N  N   . THR A 25 ? 0.17230 0.09513 0.12573 0.02753  0.01045  -0.00429 25  THR A N   
378  C  CA  . THR A 25 ? 0.17765 0.09740 0.12721 -0.02528 0.01053  -0.00078 25  THR A CA  
379  C  C   . THR A 25 ? 0.14080 0.11063 0.12806 -0.00117 0.01411  -0.00163 25  THR A C   
380  O  O   . THR A 25 ? 0.16694 0.11997 0.13254 0.00797  -0.01061 -0.00588 25  THR A O   
381  C  CB  . THR A 25 ? 0.19030 0.11689 0.13393 -0.01978 0.02625  0.00252  25  THR A CB  
382  O  OG1 . THR A 25 ? 0.21327 0.11655 0.13572 0.02569  0.03754  -0.00853 25  THR A OG1 
383  C  CG2 . THR A 25 ? 0.19697 0.16500 0.13158 -0.04569 0.05918  0.00750  25  THR A CG2 
391  N  N   . GLN A 26 ? 0.14842 0.07232 0.12003 0.02503  0.01191  -0.00986 26  GLN A N   
392  C  CA  . GLN A 26 ? 0.13836 0.07114 0.11331 0.03399  0.01179  -0.00511 26  GLN A CA  
393  C  C   . GLN A 26 ? 0.16102 0.07784 0.09852 0.03091  0.00852  0.00686  26  GLN A C   
394  O  O   . GLN A 26 ? 0.17432 0.07011 0.09770 0.00721  0.01101  -0.00213 26  GLN A O   
395  C  CB  . GLN A 26 ? 0.16693 0.06221 0.12099 0.00953  -0.00005 0.00626  26  GLN A CB  
396  C  CG  . GLN A 26 ? 0.15308 0.07883 0.12941 0.01809  0.00793  0.01052  26  GLN A CG  
397  C  CD  . GLN A 26 ? 0.15318 0.08110 0.13424 0.00363  0.01037  -0.00576 26  GLN A CD  
398  O  OE1 . GLN A 26 ? 0.19130 0.12827 0.14676 -0.02644 0.00392  -0.02803 26  GLN A OE1 
399  N  NE2 . GLN A 26 ? 0.15917 0.08659 0.12414 0.00746  -0.00321 -0.00857 26  GLN A NE2 
408  N  N   . TYR A 27 ? 0.18442 0.07922 0.09763 0.01790  -0.00663 0.00848  27  TYR A N   
409  C  CA  . TYR A 27 ? 0.18299 0.06548 0.10705 0.01062  0.00093  -0.00140 27  TYR A CA  
410  C  C   . TYR A 27 ? 0.14275 0.08625 0.10835 0.01050  0.00819  -0.01825 27  TYR A C   
411  O  O   . TYR A 27 ? 0.17166 0.05963 0.10692 0.00080  0.01247  -0.01780 27  TYR A O   
412  C  CB  . TYR A 27 ? 0.19559 0.08947 0.12079 0.00224  0.01998  0.00594  27  TYR A CB  
413  C  CG  . TYR A 27 ? 0.17649 0.09735 0.13895 0.01268  0.03450  0.00886  27  TYR A CG  
414  C  CD1 . TYR A 27 ? 0.17236 0.09927 0.15005 -0.01252 0.01262  0.01477  27  TYR A CD1 
415  C  CD2 . TYR A 27 ? 0.18290 0.08982 0.13914 0.03619  0.04398  0.01040  27  TYR A CD2 
416  C  CE1 . TYR A 27 ? 0.15888 0.10888 0.16273 -0.01588 0.01446  0.01030  27  TYR A CE1 
417  C  CE2 . TYR A 27 ? 0.17226 0.11339 0.15597 0.02820  0.04328  0.01417  27  TYR A CE2 
418  C  CZ  . TYR A 27 ? 0.17994 0.13523 0.17073 0.01037  0.04678  0.00824  27  TYR A CZ  
419  O  OH  . TYR A 27 ? 0.21195 0.17313 0.18652 0.00858  0.05214  0.00741  27  TYR A OH  
429  N  N   . GLU A 28 ? 0.18119 0.09516 0.12380 0.02302  0.00154  -0.01638 28  GLU A N   
430  C  CA  A GLU A 28 ? 0.17193 0.11772 0.13900 0.01103  -0.01979 -0.00087 28  GLU A CA  
431  C  CA  B GLU A 28 ? 0.18035 0.12581 0.13863 0.01987  -0.02663 -0.00734 28  GLU A CA  
432  C  C   . GLU A 28 ? 0.14783 0.09113 0.14006 0.02193  -0.01024 -0.02088 28  GLU A C   
433  O  O   . GLU A 28 ? 0.17910 0.07059 0.14052 -0.00763 -0.00520 -0.02377 28  GLU A O   
434  C  CB  A GLU A 28 ? 0.20650 0.18568 0.15150 0.04321  -0.03105 0.01621  28  GLU A CB  
435  C  CB  B GLU A 28 ? 0.23209 0.21039 0.15004 0.06832  -0.04621 -0.00514 28  GLU A CB  
436  C  CG  A GLU A 28 ? 0.23832 0.24188 0.17039 0.04295  -0.01938 0.02605  28  GLU A CG  
437  C  CG  B GLU A 28 ? 0.29003 0.28656 0.16916 0.09147  -0.03817 -0.01082 28  GLU A CG  
438  C  CD  A GLU A 28 ? 0.26564 0.29590 0.18854 0.03995  -0.00451 0.02965  28  GLU A CD  
439  C  CD  B GLU A 28 ? 0.42992 0.35843 0.19264 0.09254  -0.01203 -0.02132 28  GLU A CD  
440  O  OE1 A GLU A 28 ? 0.23104 0.28937 0.19507 0.06884  -0.01093 0.02901  28  GLU A OE1 
441  O  OE1 B GLU A 28 ? 0.49256 0.37584 0.19892 0.05210  -0.00058 -0.01757 28  GLU A OE1 
442  O  OE2 A GLU A 28 ? 0.34485 0.32892 0.19877 0.02174  0.01603  0.02566  28  GLU A OE2 
443  O  OE2 B GLU A 28 ? 0.47578 0.39889 0.20512 0.09302  -0.00389 -0.02309 28  GLU A OE2 
454  N  N   . GLU A 29 ? 0.14766 0.05785 0.13661 0.02385  -0.01167 -0.01930 29  GLU A N   
455  C  CA  . GLU A 29 ? 0.14180 0.08294 0.14223 -0.00613 0.00048  -0.00218 29  GLU A CA  
456  C  C   . GLU A 29 ? 0.13339 0.04354 0.11530 0.00064  0.00160  -0.01872 29  GLU A C   
457  O  O   . GLU A 29 ? 0.14280 0.08202 0.11793 0.01647  0.01775  -0.01896 29  GLU A O   
458  C  CB  . GLU A 29 ? 0.16309 0.08542 0.16562 -0.00032 0.00063  -0.00652 29  GLU A CB  
459  C  CG  . GLU A 29 ? 0.24215 0.11407 0.18220 -0.00659 -0.01546 -0.02559 29  GLU A CG  
460  C  CD  . GLU A 29 ? 0.18226 0.12637 0.19011 -0.01562 -0.03862 -0.03503 29  GLU A CD  
461  O  OE1 . GLU A 29 ? 0.18947 0.09531 0.19492 -0.00022 -0.03159 -0.03579 29  GLU A OE1 
462  O  OE2 . GLU A 29 ? 0.26230 0.17966 0.18938 -0.00815 -0.04805 -0.03502 29  GLU A OE2 
469  N  N   . ALA A 30 ? 0.12585 0.06411 0.11451 0.00157  -0.00209 -0.00503 30  ALA A N   
470  C  CA  . ALA A 30 ? 0.12354 0.06096 0.12208 0.02734  0.00460  -0.00625 30  ALA A CA  
471  C  C   . ALA A 30 ? 0.11915 0.05664 0.11202 0.02145  0.01931  -0.01006 30  ALA A C   
472  O  O   . ALA A 30 ? 0.13845 0.08434 0.11433 -0.01525 0.02218  -0.01600 30  ALA A O   
473  C  CB  . ALA A 30 ? 0.13699 0.08624 0.12604 0.01308  0.00298  -0.00853 30  ALA A CB  
479  N  N   . TYR A 31 ? 0.13624 0.05878 0.12094 0.00874  -0.00923 -0.01393 31  TYR A N   
480  C  CA  . TYR A 31 ? 0.14815 0.07880 0.12653 -0.00307 -0.00888 -0.00959 31  TYR A CA  
481  C  C   . TYR A 31 ? 0.14218 0.06127 0.11918 -0.00216 -0.00498 -0.00842 31  TYR A C   
482  O  O   . TYR A 31 ? 0.15764 0.07197 0.11589 0.01598  -0.02293 -0.01439 31  TYR A O   
483  C  CB  . TYR A 31 ? 0.13419 0.09759 0.13245 -0.00574 -0.01566 -0.00718 31  TYR A CB  
484  C  CG  . TYR A 31 ? 0.12302 0.09265 0.14629 0.00919  -0.00827 0.00188  31  TYR A CG  
485  C  CD1 . TYR A 31 ? 0.14680 0.09005 0.14123 -0.00708 0.00365  0.01708  31  TYR A CD1 
486  C  CD2 . TYR A 31 ? 0.20568 0.09905 0.16211 0.02033  -0.03075 -0.00499 31  TYR A CD2 
487  C  CE1 . TYR A 31 ? 0.22266 0.09993 0.14889 -0.00561 -0.00638 -0.00206 31  TYR A CE1 
488  C  CE2 . TYR A 31 ? 0.24679 0.08968 0.16192 0.04210  -0.02130 -0.00053 31  TYR A CE2 
489  C  CZ  . TYR A 31 ? 0.27724 0.08960 0.16075 0.02967  -0.01073 -0.00001 31  TYR A CZ  
490  O  OH  . TYR A 31 ? 0.32637 0.10321 0.16694 0.05380  0.03362  -0.01212 31  TYR A OH  
500  N  N   . THR A 32 ? 0.15937 0.07793 0.11917 0.02567  0.00258  -0.01522 32  THR A N   
501  C  CA  . THR A 32 ? 0.14699 0.08998 0.12872 0.01059  -0.01410 -0.02674 32  THR A CA  
502  C  C   . THR A 32 ? 0.14798 0.05376 0.11793 0.01448  -0.00084 -0.03332 32  THR A C   
503  O  O   . THR A 32 ? 0.14699 0.06029 0.11055 0.01093  0.00909  -0.01591 32  THR A O   
504  C  CB  . THR A 32 ? 0.14671 0.13476 0.14804 -0.00428 -0.01848 -0.01110 32  THR A CB  
505  O  OG1 . THR A 32 ? 0.15316 0.17274 0.16086 -0.01453 -0.02435 -0.01135 32  THR A OG1 
506  C  CG2 . THR A 32 ? 0.17746 0.14835 0.14910 -0.01132 0.00838  -0.01988 32  THR A CG2 
514  N  N   . ALA A 33 ? 0.13121 0.05029 0.10918 0.01109  0.01932  -0.01476 33  ALA A N   
515  C  CA  . ALA A 33 ? 0.11338 0.06338 0.10571 -0.00308 0.01644  0.00908  33  ALA A CA  
516  C  C   . ALA A 33 ? 0.14420 0.04939 0.10257 0.00338  0.01497  -0.00227 33  ALA A C   
517  O  O   . ALA A 33 ? 0.13902 0.07571 0.10864 0.00586  0.01924  -0.01265 33  ALA A O   
518  C  CB  . ALA A 33 ? 0.18725 0.04959 0.10635 -0.00591 0.00237  -0.00918 33  ALA A CB  
524  N  N   . TYR A 34 ? 0.14636 0.05495 0.09936 -0.00997 0.00613  -0.00258 34  TYR A N   
525  C  CA  . TYR A 34 ? 0.10151 0.04368 0.10715 -0.00191 0.01047  -0.00406 34  TYR A CA  
526  C  C   . TYR A 34 ? 0.10106 0.06035 0.11042 0.00979  -0.01339 -0.01200 34  TYR A C   
527  O  O   . TYR A 34 ? 0.13267 0.05837 0.10865 -0.00486 -0.00896 -0.01178 34  TYR A O   
528  C  CB  . TYR A 34 ? 0.11416 0.07162 0.11590 0.00548  0.02271  0.00010  34  TYR A CB  
529  C  CG  . TYR A 34 ? 0.10941 0.08761 0.11539 -0.01012 0.00836  -0.00161 34  TYR A CG  
530  C  CD1 . TYR A 34 ? 0.13565 0.08071 0.12057 -0.00488 0.00764  0.00384  34  TYR A CD1 
531  C  CD2 . TYR A 34 ? 0.13638 0.08089 0.10776 0.00017  0.01696  0.00009  34  TYR A CD2 
532  C  CE1 . TYR A 34 ? 0.10109 0.08881 0.11934 -0.03406 -0.02009 0.00051  34  TYR A CE1 
533  C  CE2 . TYR A 34 ? 0.14146 0.09989 0.11858 -0.01263 0.00800  -0.00314 34  TYR A CE2 
534  C  CZ  . TYR A 34 ? 0.11278 0.09097 0.12237 -0.00008 0.01212  0.00119  34  TYR A CZ  
535  O  OH  . TYR A 34 ? 0.11255 0.10760 0.12761 0.00803  0.01065  0.00316  34  TYR A OH  
545  N  N   . TYR A 35 ? 0.13819 0.05070 0.10263 0.00768  -0.01982 -0.01181 35  TYR A N   
546  C  CA  . TYR A 35 ? 0.13163 0.06837 0.10410 0.00427  -0.00069 -0.01353 35  TYR A CA  
547  C  C   . TYR A 35 ? 0.13453 0.06408 0.10458 0.00548  -0.00899 -0.01710 35  TYR A C   
548  O  O   . TYR A 35 ? 0.13634 0.06131 0.10962 0.00467  -0.00843 -0.00345 35  TYR A O   
549  C  CB  . TYR A 35 ? 0.18616 0.06867 0.10532 0.01976  0.01198  0.00091  35  TYR A CB  
550  C  CG  . TYR A 35 ? 0.15993 0.08273 0.11195 0.02190  -0.00747 0.00106  35  TYR A CG  
551  C  CD1 . TYR A 35 ? 0.12515 0.11052 0.12584 -0.00631 -0.01069 0.01534  35  TYR A CD1 
552  C  CD2 . TYR A 35 ? 0.18733 0.11344 0.12868 0.04840  0.01451  0.00392  35  TYR A CD2 
553  C  CE1 . TYR A 35 ? 0.10894 0.11306 0.13293 0.02543  -0.00963 0.00194  35  TYR A CE1 
554  C  CE2 . TYR A 35 ? 0.19366 0.13324 0.13927 0.07355  0.01549  0.01434  35  TYR A CE2 
555  C  CZ  . TYR A 35 ? 0.12768 0.11922 0.13544 0.04154  -0.01281 0.00685  35  TYR A CZ  
556  O  OH  . TYR A 35 ? 0.19635 0.10950 0.15444 0.04035  0.01167  0.01492  35  TYR A OH  
566  N  N   . ASN A 36 ? 0.11361 0.07383 0.11594 -0.00458 -0.00229 -0.01353 36  ASN A N   
567  C  CA  . ASN A 36 ? 0.13128 0.06309 0.10913 0.01038  0.01981  -0.01292 36  ASN A CA  
568  C  C   . ASN A 36 ? 0.12028 0.07717 0.09974 0.01698  0.00426  -0.00244 36  ASN A C   
569  O  O   . ASN A 36 ? 0.12936 0.09854 0.09439 -0.00257 0.01794  -0.00299 36  ASN A O   
570  C  CB  . ASN A 36 ? 0.13424 0.08862 0.12806 0.01585  0.02488  0.00126  36  ASN A CB  
571  C  CG  . ASN A 36 ? 0.10277 0.08454 0.14074 0.02313  0.01290  -0.00487 36  ASN A CG  
572  O  OD1 . ASN A 36 ? 0.12808 0.10080 0.16362 0.01983  -0.01868 -0.01324 36  ASN A OD1 
573  N  ND2 . ASN A 36 ? 0.14320 0.10272 0.15112 0.02079  -0.00086 -0.00767 36  ASN A ND2 
580  N  N   . GLY A 37 ? 0.11854 0.07122 0.10558 0.01036  -0.00395 -0.00433 37  GLY A N   
581  C  CA  . GLY A 37 ? 0.11725 0.06746 0.10370 -0.01011 0.00277  -0.00541 37  GLY A CA  
582  C  C   . GLY A 37 ? 0.09839 0.06972 0.11463 -0.00527 0.00731  -0.00774 37  GLY A C   
583  O  O   . GLY A 37 ? 0.11926 0.08572 0.12028 0.00430  0.00077  -0.01884 37  GLY A O   
587  N  N   . LEU A 38 ? 0.15251 0.04984 0.12343 -0.00636 0.02352  -0.00351 38  LEU A N   
588  C  CA  . LEU A 38 ? 0.12324 0.05516 0.12227 -0.02747 0.02033  -0.00962 38  LEU A CA  
589  C  C   . LEU A 38 ? 0.12028 0.04260 0.11741 0.00650  0.01922  -0.00965 38  LEU A C   
590  O  O   . LEU A 38 ? 0.16703 0.05846 0.10440 -0.02726 0.01001  -0.01575 38  LEU A O   
591  C  CB  . LEU A 38 ? 0.16370 0.07482 0.12088 -0.02140 0.01832  0.00705  38  LEU A CB  
592  C  CG  . LEU A 38 ? 0.13880 0.07937 0.12094 -0.01489 -0.00359 0.00674  38  LEU A CG  
593  C  CD1 . LEU A 38 ? 0.11502 0.11432 0.11693 -0.00067 0.00174  -0.00944 38  LEU A CD1 
594  C  CD2 . LEU A 38 ? 0.17004 0.11728 0.12855 0.00315  -0.01138 0.00823  38  LEU A CD2 
606  N  N   . ASP A 39 ? 0.09781 0.06257 0.12628 0.01504  -0.00009 0.00544  39  ASP A N   
607  C  CA  . ASP A 39 ? 0.11331 0.07780 0.13208 -0.00584 -0.01517 0.00463  39  ASP A CA  
608  C  C   . ASP A 39 ? 0.11926 0.07083 0.12224 0.02098  0.00312  0.00746  39  ASP A C   
609  O  O   . ASP A 39 ? 0.13124 0.07575 0.11635 0.00329  -0.00226 -0.00165 39  ASP A O   
610  C  CB  . ASP A 39 ? 0.11878 0.10089 0.15203 0.03724  -0.00033 0.00266  39  ASP A CB  
611  C  CG  . ASP A 39 ? 0.11591 0.15392 0.15730 -0.01558 0.01011  0.00619  39  ASP A CG  
612  O  OD1 . ASP A 39 ? 0.19760 0.15636 0.17896 0.02234  -0.01495 0.03837  39  ASP A OD1 
613  O  OD2 . ASP A 39 ? 0.14167 0.19787 0.14156 0.00242  0.01319  -0.00471 39  ASP A OD2 
618  N  N   . TYR A 40 ? 0.11847 0.07524 0.11718 -0.00616 0.00213  -0.00796 40  TYR A N   
619  C  CA  . TYR A 40 ? 0.11824 0.07612 0.12695 -0.00852 0.01898  0.01638  40  TYR A CA  
620  C  C   . TYR A 40 ? 0.11961 0.08019 0.11347 -0.00247 0.02257  0.00718  40  TYR A C   
621  O  O   . TYR A 40 ? 0.13706 0.08414 0.10195 -0.00388 0.00671  -0.00377 40  TYR A O   
622  C  CB  . TYR A 40 ? 0.10796 0.07184 0.12401 -0.00262 0.02559  0.00775  40  TYR A CB  
623  C  CG  . TYR A 40 ? 0.12259 0.06768 0.12610 0.00195  0.01066  -0.00028 40  TYR A CG  
624  C  CD1 . TYR A 40 ? 0.14338 0.09299 0.13372 -0.00592 0.00338  0.01242  40  TYR A CD1 
625  C  CD2 . TYR A 40 ? 0.16889 0.11310 0.13921 -0.04038 0.00656  -0.01310 40  TYR A CD2 
626  C  CE1 . TYR A 40 ? 0.12057 0.12653 0.14467 -0.02083 0.02536  0.01388  40  TYR A CE1 
627  C  CE2 . TYR A 40 ? 0.20182 0.11280 0.14743 -0.05385 0.01400  -0.00008 40  TYR A CE2 
628  C  CZ  . TYR A 40 ? 0.14965 0.10364 0.15360 -0.05930 0.01192  0.01508  40  TYR A CZ  
629  O  OH  . TYR A 40 ? 0.19399 0.12857 0.17428 -0.05480 0.01648  -0.00023 40  TYR A OH  
639  N  N   . LEU A 41 ? 0.10930 0.08469 0.10818 -0.01704 -0.00666 -0.01465 41  LEU A N   
640  C  CA  . LEU A 41 ? 0.12761 0.07050 0.11685 -0.02072 -0.01707 -0.00494 41  LEU A CA  
641  C  C   . LEU A 41 ? 0.08263 0.07383 0.10930 0.00517  -0.00863 -0.01835 41  LEU A C   
642  O  O   . LEU A 41 ? 0.12865 0.08017 0.11199 0.01075  -0.00448 -0.00809 41  LEU A O   
643  C  CB  . LEU A 41 ? 0.16702 0.06589 0.12938 0.00389  -0.00692 -0.00482 41  LEU A CB  
644  C  CG  . LEU A 41 ? 0.14407 0.05527 0.14368 0.00129  0.01368  -0.01342 41  LEU A CG  
645  C  CD1 . LEU A 41 ? 0.22620 0.06904 0.14165 0.00170  0.00921  -0.02085 41  LEU A CD1 
646  C  CD2 . LEU A 41 ? 0.13321 0.08601 0.16006 0.00622  0.01431  -0.00604 41  LEU A CD2 
658  N  N   . MET A 42 ? 0.11007 0.09159 0.11759 -0.01032 -0.00610 -0.02814 42  MET A N   
659  C  CA  A MET A 42 ? 0.13726 0.07941 0.12109 -0.01118 0.01234  -0.01152 42  MET A CA  
660  C  C   . MET A 42 ? 0.11197 0.08777 0.11903 0.00982  0.00551  -0.01650 42  MET A C   
661  O  O   . MET A 42 ? 0.13730 0.07756 0.11502 0.01390  0.00149  -0.02469 42  MET A O   
662  C  CB  A MET A 42 ? 0.12397 0.07870 0.13605 -0.00940 0.01757  0.01115  42  MET A CB  
663  C  CG  A MET A 42 ? 0.17627 0.13191 0.15171 -0.00857 -0.01343 0.04829  42  MET A CG  
664  S  SD  A MET A 42 ? 0.18901 0.22513 0.16249 -0.00829 -0.00674 0.06367  42  MET A SD  
665  C  CE  A MET A 42 ? 0.11176 0.13298 0.15573 -0.02629 -0.03189 0.06658  42  MET A CE  
683  N  N   . CYS A 44 ? 0.11669 0.08296 0.11890 0.02252  0.00256  -0.00081 44  CYS A N   
684  C  CA  . CYS A 44 ? 0.14865 0.07318 0.13532 0.00959  -0.01156 -0.00147 44  CYS A CA  
685  C  C   . CYS A 44 ? 0.13070 0.06451 0.12275 0.01875  -0.02624 -0.01253 44  CYS A C   
686  O  O   . CYS A 44 ? 0.19037 0.08988 0.11194 0.01249  -0.03399 -0.00603 44  CYS A O   
687  C  CB  . CYS A 44 ? 0.19342 0.08383 0.14522 0.02010  -0.02927 0.01274  44  CYS A CB  
688  S  SG  . CYS A 44 ? 0.15822 0.12644 0.17647 0.00413  -0.00438 0.01915  44  CYS A SG  
693  N  N   . LEU A 45 ? 0.14675 0.08167 0.12084 0.01101  -0.01025 0.01967  45  LEU A N   
694  C  CA  . LEU A 45 ? 0.13480 0.10273 0.11678 0.01570  0.00246  0.00364  45  LEU A CA  
695  C  C   . LEU A 45 ? 0.15026 0.07626 0.10729 -0.00688 -0.00382 -0.00035 45  LEU A C   
696  O  O   . LEU A 45 ? 0.14258 0.12861 0.11353 -0.01078 0.00564  -0.00965 45  LEU A O   
697  C  CB  . LEU A 45 ? 0.13171 0.10745 0.11892 -0.01267 -0.00156 -0.01331 45  LEU A CB  
698  C  CG  . LEU A 45 ? 0.11741 0.11935 0.13028 -0.00244 -0.00866 -0.02448 45  LEU A CG  
699  C  CD1 . LEU A 45 ? 0.13356 0.12661 0.13015 -0.03446 0.01094  -0.03339 45  LEU A CD1 
700  C  CD2 . LEU A 45 ? 0.16198 0.14739 0.14164 0.01551  0.00001  -0.01586 45  LEU A CD2 
712  N  N   . LYS A 46 ? 0.11630 0.08574 0.09811 -0.00524 0.00527  -0.00901 46  LYS A N   
713  C  CA  . LYS A 46 ? 0.10690 0.09607 0.12109 0.00230  0.01661  -0.00627 46  LYS A CA  
714  C  C   . LYS A 46 ? 0.14215 0.08881 0.12191 -0.00789 0.02080  -0.00268 46  LYS A C   
715  O  O   . LYS A 46 ? 0.24529 0.07939 0.12712 -0.02086 0.00997  0.00304  46  LYS A O   
716  C  CB  . LYS A 46 ? 0.14875 0.09519 0.13114 0.00635  0.01964  0.01515  46  LYS A CB  
717  C  CG  . LYS A 46 ? 0.13363 0.07925 0.16391 0.00470  0.03464  0.01106  46  LYS A CG  
718  C  CD  . LYS A 46 ? 0.16730 0.08794 0.19093 0.02960  0.00456  -0.01045 46  LYS A CD  
719  C  CE  . LYS A 46 ? 0.17538 0.11851 0.22380 0.01221  0.02129  -0.01766 46  LYS A CE  
720  N  NZ  . LYS A 46 ? 0.20483 0.11931 0.24192 0.01521  0.01908  -0.02139 46  LYS A NZ  
734  N  N   . TYR A 47 ? 0.13556 0.06736 0.10512 0.00981  0.00899  0.01318  47  TYR A N   
735  C  CA  . TYR A 47 ? 0.12570 0.08577 0.10652 -0.00344 0.00595  0.01192  47  TYR A CA  
736  C  C   . TYR A 47 ? 0.13043 0.10603 0.11955 -0.02435 0.01087  0.00811  47  TYR A C   
737  O  O   . TYR A 47 ? 0.14399 0.13292 0.12291 0.00680  0.01446  0.02127  47  TYR A O   
738  C  CB  . TYR A 47 ? 0.11224 0.09833 0.12180 0.01065  0.02644  0.02674  47  TYR A CB  
739  C  CG  . TYR A 47 ? 0.10140 0.09891 0.13310 -0.00301 0.02450  0.02558  47  TYR A CG  
740  C  CD1 . TYR A 47 ? 0.12884 0.13837 0.13738 0.00067  -0.01284 0.01273  47  TYR A CD1 
741  C  CD2 . TYR A 47 ? 0.13014 0.10165 0.12651 0.00196  0.04473  -0.00379 47  TYR A CD2 
742  C  CE1 . TYR A 47 ? 0.11256 0.15005 0.13643 0.00491  -0.00356 0.01406  47  TYR A CE1 
743  C  CE2 . TYR A 47 ? 0.13789 0.11118 0.13062 -0.00628 0.01480  -0.00549 47  TYR A CE2 
744  C  CZ  . TYR A 47 ? 0.10923 0.09811 0.13931 0.02107  -0.00626 0.00052  47  TYR A CZ  
745  O  OH  . TYR A 47 ? 0.12797 0.14192 0.15530 0.03859  -0.00268 -0.00557 47  TYR A OH  
755  N  N   . GLU A 48 ? 0.09842 0.10959 0.13463 -0.01774 0.01065  0.00530  48  GLU A N   
756  C  CA  . GLU A 48 ? 0.09145 0.13711 0.14438 -0.02770 -0.00054 0.00349  48  GLU A CA  
757  C  C   . GLU A 48 ? 0.12301 0.13684 0.14450 -0.00112 -0.02434 -0.00056 48  GLU A C   
758  O  O   . GLU A 48 ? 0.16161 0.15663 0.14889 -0.02911 -0.01661 -0.00244 48  GLU A O   
759  C  CB  . GLU A 48 ? 0.14018 0.15649 0.16387 -0.00899 0.01123  0.00850  48  GLU A CB  
760  C  CG  . GLU A 48 ? 0.16951 0.18415 0.19035 0.01864  0.01518  -0.01752 48  GLU A CG  
761  C  CD  . GLU A 48 ? 0.19003 0.17502 0.21495 0.05319  -0.01932 -0.05239 48  GLU A CD  
762  O  OE1 . GLU A 48 ? 0.39907 0.23454 0.24440 0.03074  -0.11943 -0.03511 48  GLU A OE1 
763  O  OE2 . GLU A 48 ? 0.21385 0.21060 0.23655 -0.00233 0.00027  -0.04591 48  GLU A OE2 
770  N  N   . LYS A 49 ? 0.10258 0.15980 0.13948 0.02046  -0.03279 -0.00412 49  LYS A N   
771  C  CA  . LYS A 49 ? 0.12385 0.22144 0.14736 -0.01807 -0.03474 0.00026  49  LYS A CA  
772  C  C   . LYS A 49 ? 0.13045 0.23445 0.15008 -0.00472 -0.03982 -0.00250 49  LYS A C   
773  O  O   . LYS A 49 ? 0.14932 0.31272 0.17545 -0.00695 -0.04869 -0.04264 49  LYS A O   
774  C  CB  . LYS A 49 ? 0.18556 0.23878 0.16240 -0.01167 -0.01809 -0.00398 49  LYS A CB  
775  C  CG  . LYS A 49 ? 0.18420 0.25873 0.18324 0.01392  0.01014  -0.01358 49  LYS A CG  
776  C  CD  . LYS A 49 ? 0.26983 0.28375 0.21527 0.05706  -0.00443 -0.01708 49  LYS A CD  
777  C  CE  . LYS A 49 ? 0.35757 0.29081 0.23201 0.07539  0.00542  -0.01378 49  LYS A CE  
778  N  NZ  . LYS A 49 ? 0.42537 0.31257 0.24363 0.07445  -0.01267 0.00362  49  LYS A NZ  
792  N  N   . ASN A 50 ? 0.12797 0.21689 0.14777 -0.00802 -0.02101 0.02689  50  ASN A N   
793  C  CA  . ASN A 50 ? 0.14749 0.18081 0.14989 -0.01850 -0.00800 0.06260  50  ASN A CA  
794  C  C   . ASN A 50 ? 0.10551 0.17837 0.14011 0.00288  0.00372  0.04372  50  ASN A C   
795  O  O   . ASN A 50 ? 0.13047 0.16972 0.13748 -0.00735 -0.01480 0.02964  50  ASN A O   
796  C  CB  . ASN A 50 ? 0.18611 0.22871 0.17824 -0.00249 0.03059  0.08702  50  ASN A CB  
797  C  CG  . ASN A 50 ? 0.21732 0.28029 0.21558 0.05557  0.01603  0.09766  50  ASN A CG  
798  O  OD1 . ASN A 50 ? 0.16776 0.24842 0.21933 0.02543  0.02447  0.09169  50  ASN A OD1 
799  N  ND2 . ASN A 50 ? 0.35486 0.37213 0.24393 0.06963  0.00144  0.11480  50  ASN A ND2 
806  N  N   . PRO A 51 ? 0.12869 0.20425 0.13730 -0.03950 0.00836  0.01961  51  PRO A N   
807  C  CA  . PRO A 51 ? 0.16257 0.18289 0.13787 -0.05065 0.00384  0.00776  51  PRO A CA  
808  C  C   . PRO A 51 ? 0.12270 0.15561 0.13957 -0.01054 0.01655  0.01948  51  PRO A C   
809  O  O   . PRO A 51 ? 0.10051 0.14552 0.14341 -0.01798 -0.00784 0.00842  51  PRO A O   
810  C  CB  . PRO A 51 ? 0.18701 0.23868 0.14003 -0.05665 0.01392  -0.00653 51  PRO A CB  
811  C  CG  . PRO A 51 ? 0.22876 0.27228 0.14779 -0.04637 -0.01183 -0.00768 51  PRO A CG  
812  C  CD  . PRO A 51 ? 0.21039 0.23467 0.14074 -0.04418 -0.01373 0.00815  51  PRO A CD  
820  N  N   . LYS A 52 ? 0.12351 0.17640 0.14434 0.01020  -0.02122 0.03925  52  LYS A N   
821  C  CA  . LYS A 52 ? 0.15924 0.14621 0.14555 0.02396  -0.01468 0.03165  52  LYS A CA  
822  C  C   . LYS A 52 ? 0.14503 0.13908 0.15708 -0.00406 0.00307  0.03649  52  LYS A C   
823  O  O   . LYS A 52 ? 0.13828 0.13784 0.15829 0.02539  0.00146  0.03251  52  LYS A O   
824  C  CB  . LYS A 52 ? 0.20580 0.14078 0.14512 0.00849  -0.01202 0.00957  52  LYS A CB  
825  C  CG  . LYS A 52 ? 0.18436 0.16847 0.15106 -0.01842 -0.04051 0.02072  52  LYS A CG  
826  C  CD  . LYS A 52 ? 0.13038 0.17042 0.14888 0.00675  -0.01958 0.03543  52  LYS A CD  
827  C  CE  . LYS A 52 ? 0.14549 0.14855 0.14301 0.02044  -0.01288 0.03024  52  LYS A CE  
828  N  NZ  . LYS A 52 ? 0.14290 0.13964 0.14722 0.02292  -0.00683 0.03047  52  LYS A NZ  
842  N  N   . SER A 53 ? 0.17150 0.14765 0.16117 -0.03852 -0.00197 0.05597  53  SER A N   
843  C  CA  . SER A 53 ? 0.12229 0.14132 0.16912 0.00285  -0.02764 0.04970  53  SER A CA  
844  C  C   . SER A 53 ? 0.10681 0.11135 0.15117 -0.03732 -0.00943 0.03496  53  SER A C   
845  O  O   . SER A 53 ? 0.13244 0.11654 0.14258 -0.01421 -0.02139 0.00379  53  SER A O   
846  C  CB  . SER A 53 ? 0.17177 0.16033 0.20076 -0.02784 -0.06196 0.08432  53  SER A CB  
847  O  OG  . SER A 53 ? 0.22858 0.21691 0.22599 -0.05056 -0.07297 0.09728  53  SER A OG  
853  N  N   . LYS A 54 ? 0.13078 0.12045 0.13972 -0.01532 0.00380  0.01398  54  LYS A N   
854  C  CA  . LYS A 54 ? 0.11191 0.13746 0.13786 -0.00392 0.00555  0.00157  54  LYS A CA  
855  C  C   . LYS A 54 ? 0.11435 0.11484 0.12961 0.01454  -0.00552 0.00931  54  LYS A C   
856  O  O   . LYS A 54 ? 0.12932 0.10063 0.12978 0.00480  -0.01791 0.00662  54  LYS A O   
857  C  CB  . LYS A 54 ? 0.12993 0.12280 0.12893 -0.01412 0.02071  -0.01512 54  LYS A CB  
858  C  CG  . LYS A 54 ? 0.16397 0.13393 0.13420 0.02782  0.03593  -0.00634 54  LYS A CG  
859  C  CD  . LYS A 54 ? 0.27527 0.20408 0.14308 0.05304  0.01475  -0.01138 54  LYS A CD  
860  C  CE  . LYS A 54 ? 0.37162 0.22493 0.15931 0.08099  0.01590  0.00042  54  LYS A CE  
861  N  NZ  . LYS A 54 ? 0.40900 0.25137 0.17188 0.11319  0.01102  -0.01365 54  LYS A NZ  
875  N  N   . ASP A 55 ? 0.11794 0.11296 0.11948 0.02098  -0.00612 0.01388  55  ASP A N   
876  C  CA  . ASP A 55 ? 0.09726 0.10780 0.13219 0.00395  0.01981  0.01831  55  ASP A CA  
877  C  C   . ASP A 55 ? 0.12999 0.10815 0.13767 0.02302  0.01536  0.00139  55  ASP A C   
878  O  O   . ASP A 55 ? 0.13420 0.10704 0.13132 -0.01311 0.01221  -0.01886 55  ASP A O   
879  C  CB  . ASP A 55 ? 0.12572 0.11272 0.13251 -0.00416 0.01196  0.02878  55  ASP A CB  
880  C  CG  . ASP A 55 ? 0.13738 0.12359 0.13953 0.01829  -0.00037 0.01269  55  ASP A CG  
881  O  OD1 . ASP A 55 ? 0.16503 0.12103 0.16799 0.01031  -0.02360 -0.02619 55  ASP A OD1 
882  O  OD2 . ASP A 55 ? 0.15225 0.13859 0.13205 -0.02173 -0.02527 0.01301  55  ASP A OD2 
887  N  N   . LEU A 56 ? 0.13892 0.07218 0.14466 0.01843  0.01080  0.01070  56  LEU A N   
888  C  CA  . LEU A 56 ? 0.14798 0.09348 0.15290 0.03842  -0.00072 -0.00594 56  LEU A CA  
889  C  C   . LEU A 56 ? 0.16025 0.08778 0.14336 0.01831  -0.01063 -0.00762 56  LEU A C   
890  O  O   . LEU A 56 ? 0.14800 0.10556 0.13907 0.03101  -0.00311 0.00474  56  LEU A O   
891  C  CB  . LEU A 56 ? 0.22000 0.13771 0.15598 0.05907  -0.00541 -0.00993 56  LEU A CB  
892  C  CG  . LEU A 56 ? 0.29530 0.18184 0.16664 0.08661  -0.01584 -0.00396 56  LEU A CG  
893  C  CD1 . LEU A 56 ? 0.31267 0.19646 0.16326 0.10500  -0.01765 -0.01719 56  LEU A CD1 
894  C  CD2 . LEU A 56 ? 0.32810 0.20224 0.17215 0.06834  -0.03124 -0.00657 56  LEU A CD2 
906  N  N   . ILE A 57 ? 0.11329 0.09353 0.13763 0.01611  -0.01147 -0.00491 57  ILE A N   
907  C  CA  . ILE A 57 ? 0.13142 0.06923 0.13488 -0.01547 -0.00148 0.00106  57  ILE A CA  
908  C  C   . ILE A 57 ? 0.10486 0.05856 0.13096 -0.00748 -0.00243 -0.00225 57  ILE A C   
909  O  O   . ILE A 57 ? 0.13916 0.09430 0.12957 0.01189  -0.00908 -0.01353 57  ILE A O   
910  C  CB  . ILE A 57 ? 0.16241 0.10573 0.14841 -0.02567 -0.00150 0.02795  57  ILE A CB  
911  C  CG1 . ILE A 57 ? 0.23703 0.14643 0.16259 -0.03099 -0.01872 0.03290  57  ILE A CG1 
912  C  CG2 . ILE A 57 ? 0.21275 0.12610 0.14689 -0.00843 0.02235  0.03169  57  ILE A CG2 
913  C  CD1 . ILE A 57 ? 0.38146 0.16196 0.17716 0.02924  -0.02033 0.04188  57  ILE A CD1 
925  N  N   . ARG A 58 ? 0.11460 0.06527 0.12432 -0.00607 -0.02222 0.00397  58  ARG A N   
926  C  CA  . ARG A 58 ? 0.13087 0.06312 0.11864 0.00347  -0.01719 0.00118  58  ARG A CA  
927  C  C   . ARG A 58 ? 0.10112 0.08423 0.10773 0.02399  -0.00667 0.00248  58  ARG A C   
928  O  O   . ARG A 58 ? 0.14278 0.09548 0.10432 0.01015  -0.01390 0.01497  58  ARG A O   
929  C  CB  . ARG A 58 ? 0.13356 0.07181 0.13100 0.00592  0.00750  0.00326  58  ARG A CB  
930  C  CG  . ARG A 58 ? 0.13873 0.06920 0.13650 0.00616  0.02519  0.01641  58  ARG A CG  
931  C  CD  . ARG A 58 ? 0.24612 0.07089 0.14273 0.00267  0.02715  0.01592  58  ARG A CD  
932  N  NE  . ARG A 58 ? 0.23066 0.09393 0.15909 0.01051  -0.01564 0.01013  58  ARG A NE  
933  C  CZ  . ARG A 58 ? 0.15590 0.12690 0.16788 0.02735  -0.03076 0.01095  58  ARG A CZ  
934  N  NH1 . ARG A 58 ? 0.22142 0.11695 0.16945 -0.01079 -0.01568 0.01552  58  ARG A NH1 
935  N  NH2 . ARG A 58 ? 0.20965 0.17370 0.17757 -0.01563 -0.01847 0.01903  58  ARG A NH2 
949  N  N   . ALA A 59 ? 0.12582 0.09130 0.10717 0.01180  -0.00428 -0.00367 59  ALA A N   
950  C  CA  . ALA A 59 ? 0.10760 0.12229 0.11571 0.00817  -0.00030 -0.00737 59  ALA A CA  
951  C  C   . ALA A 59 ? 0.07687 0.10199 0.11499 0.01229  -0.02202 0.00019  59  ALA A C   
952  O  O   . ALA A 59 ? 0.12496 0.09161 0.10205 0.00801  -0.01010 -0.00516 59  ALA A O   
953  C  CB  . ALA A 59 ? 0.10952 0.16305 0.13148 -0.03537 -0.00284 -0.03030 59  ALA A CB  
959  N  N   . LYS A 60 ? 0.11842 0.08667 0.13297 -0.01836 -0.02051 0.00937  60  LYS A N   
960  C  CA  . LYS A 60 ? 0.11085 0.08608 0.13321 0.01427  -0.00813 0.00528  60  LYS A CA  
961  C  C   . LYS A 60 ? 0.08908 0.07033 0.12040 0.00787  0.00119  -0.00957 60  LYS A C   
962  O  O   . LYS A 60 ? 0.14183 0.07735 0.11457 0.00776  -0.01665 -0.01150 60  LYS A O   
963  C  CB  . LYS A 60 ? 0.12612 0.09531 0.14164 0.00971  -0.00374 -0.01867 60  LYS A CB  
964  C  CG  . LYS A 60 ? 0.16211 0.12398 0.15953 0.05020  0.01004  -0.00355 60  LYS A CG  
965  C  CD  . LYS A 60 ? 0.18598 0.13914 0.17471 0.03290  -0.00666 0.00363  60  LYS A CD  
966  C  CE  . LYS A 60 ? 0.17467 0.20496 0.18217 0.05153  -0.02559 0.00417  60  LYS A CE  
967  N  NZ  . LYS A 60 ? 0.16831 0.24320 0.17846 0.01678  -0.01895 0.00897  60  LYS A NZ  
981  N  N   . PHE A 61 ? 0.10904 0.06835 0.12555 0.01477  -0.00389 -0.00371 61  PHE A N   
982  C  CA  . PHE A 61 ? 0.14689 0.09013 0.13137 0.00905  0.01370  -0.01383 61  PHE A CA  
983  C  C   . PHE A 61 ? 0.13040 0.05413 0.14359 0.00878  -0.00629 -0.01774 61  PHE A C   
984  O  O   . PHE A 61 ? 0.12777 0.07703 0.14635 0.00577  -0.02230 -0.00801 61  PHE A O   
985  C  CB  . PHE A 61 ? 0.12508 0.07826 0.12481 -0.01675 0.00832  -0.02521 61  PHE A CB  
986  C  CG  . PHE A 61 ? 0.09234 0.08917 0.14207 -0.00031 -0.01022 -0.04235 61  PHE A CG  
987  C  CD1 . PHE A 61 ? 0.13389 0.11583 0.15442 0.00975  0.02220  -0.03214 61  PHE A CD1 
988  C  CD2 . PHE A 61 ? 0.19173 0.09788 0.14682 0.04514  0.00652  -0.03354 61  PHE A CD2 
989  C  CE1 . PHE A 61 ? 0.13262 0.14512 0.15808 0.03584  0.01731  -0.05230 61  PHE A CE1 
990  C  CE2 . PHE A 61 ? 0.18391 0.10227 0.15191 0.05895  0.00689  -0.03443 61  PHE A CE2 
991  C  CZ  . PHE A 61 ? 0.17403 0.15505 0.15493 0.04139  -0.02113 -0.04091 61  PHE A CZ  
1001 N  N   . THR A 62 ? 0.15496 0.05836 0.13661 -0.00191 0.01310  -0.01381 62  THR A N   
1002 C  CA  A THR A 62 ? 0.16345 0.05599 0.13683 -0.01665 0.00579  0.00238  62  THR A CA  
1003 C  CA  B THR A 62 ? 0.19884 0.05443 0.13573 0.01058  0.00225  -0.00184 62  THR A CA  
1004 C  C   . THR A 62 ? 0.12760 0.06751 0.12873 -0.00009 -0.00164 -0.00006 62  THR A C   
1005 O  O   . THR A 62 ? 0.13374 0.07950 0.11934 0.00283  -0.00977 0.00864  62  THR A O   
1006 C  CB  A THR A 62 ? 0.18027 0.08512 0.14941 -0.06171 0.00162  0.01421  62  THR A CB  
1007 C  CB  B THR A 62 ? 0.29654 0.09013 0.14848 -0.01184 -0.00445 0.00308  62  THR A CB  
1008 O  OG1 A THR A 62 ? 0.17228 0.07833 0.15398 -0.05094 -0.02631 0.02132  62  THR A OG1 
1009 O  OG1 B THR A 62 ? 0.35130 0.11722 0.15844 0.01415  -0.01853 -0.00312 62  THR A OG1 
1010 C  CG2 A THR A 62 ? 0.22811 0.09035 0.15539 -0.06456 -0.00544 0.01259  62  THR A CG2 
1011 C  CG2 B THR A 62 ? 0.30947 0.08693 0.14908 -0.02887 -0.01317 0.00252  62  THR A CG2 
1024 N  N   . GLU A 63 ? 0.10541 0.07732 0.13195 -0.00028 0.00352  -0.00316 63  GLU A N   
1025 C  CA  . GLU A 63 ? 0.12645 0.08627 0.12960 -0.01422 0.00823  0.00926  63  GLU A CA  
1026 C  C   . GLU A 63 ? 0.12105 0.06577 0.12045 -0.00650 -0.02066 0.00707  63  GLU A C   
1027 O  O   . GLU A 63 ? 0.13465 0.09806 0.11945 -0.01401 -0.02605 -0.00000 63  GLU A O   
1028 C  CB  . GLU A 63 ? 0.13774 0.07479 0.13991 -0.03242 -0.00845 -0.00576 63  GLU A CB  
1029 C  CG  . GLU A 63 ? 0.11484 0.07875 0.15021 0.00176  -0.00108 -0.01288 63  GLU A CG  
1030 C  CD  . GLU A 63 ? 0.13854 0.09311 0.16108 -0.01256 0.00420  -0.01080 63  GLU A CD  
1031 O  OE1 . GLU A 63 ? 0.15112 0.08975 0.16438 0.01769  0.01770  -0.01834 63  GLU A OE1 
1032 O  OE2 . GLU A 63 ? 0.12676 0.09269 0.16693 0.00702  0.02004  -0.01687 63  GLU A OE2 
1039 N  N   . TYR A 64 ? 0.08355 0.07175 0.12091 -0.00313 -0.00201 0.00815  64  TYR A N   
1040 C  CA  . TYR A 64 ? 0.07853 0.06965 0.10922 -0.00580 -0.00008 -0.00859 64  TYR A CA  
1041 C  C   . TYR A 64 ? 0.10053 0.06035 0.10092 0.00335  -0.00095 -0.02128 64  TYR A C   
1042 O  O   . TYR A 64 ? 0.13908 0.05787 0.09795 0.00461  -0.00231 -0.00671 64  TYR A O   
1043 C  CB  . TYR A 64 ? 0.10313 0.07438 0.12322 -0.01031 -0.00334 0.01356  64  TYR A CB  
1044 C  CG  . TYR A 64 ? 0.09338 0.07300 0.14815 -0.01744 -0.00891 -0.00517 64  TYR A CG  
1045 C  CD1 . TYR A 64 ? 0.12763 0.05837 0.15411 -0.01918 -0.02763 -0.00472 64  TYR A CD1 
1046 C  CD2 . TYR A 64 ? 0.13262 0.05853 0.15941 -0.01286 -0.01307 0.00281  64  TYR A CD2 
1047 C  CE1 . TYR A 64 ? 0.12070 0.08976 0.17080 0.01468  -0.03067 -0.00157 64  TYR A CE1 
1048 C  CE2 . TYR A 64 ? 0.13409 0.08991 0.17521 -0.01176 -0.01908 -0.00876 64  TYR A CE2 
1049 C  CZ  . TYR A 64 ? 0.11939 0.08870 0.18411 0.02992  -0.02475 -0.00392 64  TYR A CZ  
1050 O  OH  . TYR A 64 ? 0.14447 0.10080 0.21445 0.00785  -0.02278 -0.00584 64  TYR A OH  
1060 N  N   . LEU A 65 ? 0.10332 0.06755 0.09431 0.00744  -0.01329 -0.00220 65  LEU A N   
1061 C  CA  . LEU A 65 ? 0.09771 0.06742 0.12021 0.02268  -0.00052 -0.00389 65  LEU A CA  
1062 C  C   . LEU A 65 ? 0.13950 0.07481 0.11389 -0.00788 -0.01698 -0.00502 65  LEU A C   
1063 O  O   . LEU A 65 ? 0.13723 0.06355 0.09709 -0.01387 -0.00145 0.00055  65  LEU A O   
1064 C  CB  . LEU A 65 ? 0.11246 0.05736 0.13668 0.00400  -0.00731 0.00429  65  LEU A CB  
1065 C  CG  . LEU A 65 ? 0.15132 0.07377 0.14592 0.02677  -0.04372 -0.00918 65  LEU A CG  
1066 C  CD1 . LEU A 65 ? 0.18403 0.08966 0.16909 0.05076  -0.06208 -0.03010 65  LEU A CD1 
1067 C  CD2 . LEU A 65 ? 0.23359 0.07957 0.14571 0.00096  -0.03300 -0.02677 65  LEU A CD2 
1079 N  N   . ASN A 66 ? 0.12846 0.08447 0.11815 -0.01268 -0.03461 -0.00330 66  ASN A N   
1080 C  CA  A ASN A 66 ? 0.14764 0.07332 0.11363 0.00021  -0.01355 0.00376  66  ASN A CA  
1081 C  CA  B ASN A 66 ? 0.16025 0.09193 0.11794 0.01117  -0.03023 0.00979  66  ASN A CA  
1082 C  C   . ASN A 66 ? 0.15927 0.07238 0.10065 0.00927  -0.03513 0.00376  66  ASN A C   
1083 O  O   . ASN A 66 ? 0.16407 0.07883 0.08559 -0.00958 -0.02365 0.02348  66  ASN A O   
1084 C  CB  A ASN A 66 ? 0.13744 0.09334 0.12331 -0.04157 0.02196  -0.02074 66  ASN A CB  
1085 C  CB  B ASN A 66 ? 0.18900 0.13297 0.13585 0.01229  -0.02491 0.01197  66  ASN A CB  
1086 C  CG  A ASN A 66 ? 0.18123 0.11039 0.14490 -0.02580 0.05799  -0.02017 66  ASN A CG  
1087 C  CG  B ASN A 66 ? 0.24298 0.16038 0.15882 0.04659  -0.02465 0.02749  66  ASN A CG  
1088 O  OD1 A ASN A 66 ? 0.30458 0.17942 0.16493 0.00035  0.07268  -0.02914 66  ASN A OD1 
1089 O  OD1 B ASN A 66 ? 0.25578 0.16191 0.17708 0.08401  -0.02719 0.01106  66  ASN A OD1 
1090 N  ND2 A ASN A 66 ? 0.22566 0.14250 0.15027 -0.05546 0.05528  -0.01135 66  ASN A ND2 
1091 N  ND2 B ASN A 66 ? 0.26761 0.17981 0.16050 0.06938  -0.00329 0.04427  66  ASN A ND2 
1102 N  N   . ARG A 67 ? 0.12885 0.08243 0.10493 -0.00442 -0.02256 -0.00657 67  ARG A N   
1103 C  CA  . ARG A 67 ? 0.16356 0.06284 0.11471 -0.02220 -0.01042 0.00266  67  ARG A CA  
1104 C  C   . ARG A 67 ? 0.13769 0.06829 0.11599 -0.01501 0.00004  -0.00420 67  ARG A C   
1105 O  O   . ARG A 67 ? 0.16085 0.09417 0.12306 -0.00225 -0.02292 -0.01357 67  ARG A O   
1106 C  CB  . ARG A 67 ? 0.19302 0.05484 0.12587 -0.02260 -0.00462 -0.01152 67  ARG A CB  
1107 C  CG  . ARG A 67 ? 0.14516 0.07420 0.13305 0.00276  0.00240  -0.01423 67  ARG A CG  
1108 C  CD  . ARG A 67 ? 0.17656 0.06310 0.14348 -0.01304 0.03377  -0.01069 67  ARG A CD  
1109 N  NE  . ARG A 67 ? 0.21061 0.07358 0.16001 -0.01371 0.05022  -0.00573 67  ARG A NE  
1110 C  CZ  . ARG A 67 ? 0.27966 0.09495 0.15602 -0.02064 0.06946  -0.00898 67  ARG A CZ  
1111 N  NH1 . ARG A 67 ? 0.36619 0.13449 0.15409 -0.08399 0.09217  -0.02780 67  ARG A NH1 
1112 N  NH2 . ARG A 67 ? 0.31981 0.09732 0.15970 -0.02010 0.06401  -0.02798 67  ARG A NH2 
1126 N  N   . ALA A 68 ? 0.13613 0.07718 0.11856 -0.01725 -0.00008 -0.00877 68  ALA A N   
1127 C  CA  . ALA A 68 ? 0.15512 0.08710 0.11178 -0.02278 -0.01417 -0.00342 68  ALA A CA  
1128 C  C   . ALA A 68 ? 0.15534 0.10668 0.10533 -0.01462 -0.01830 0.01012  68  ALA A C   
1129 O  O   . ALA A 68 ? 0.17526 0.10003 0.10568 -0.01592 -0.02781 -0.00208 68  ALA A O   
1130 C  CB  . ALA A 68 ? 0.12023 0.11577 0.11468 -0.02713 -0.00777 0.02201  68  ALA A CB  
1136 N  N   . GLU A 69 ? 0.17047 0.08594 0.10403 -0.02457 0.00066  -0.00181 69  GLU A N   
1137 C  CA  . GLU A 69 ? 0.18449 0.07949 0.11417 -0.01985 -0.02368 0.00877  69  GLU A CA  
1138 C  C   . GLU A 69 ? 0.19421 0.08551 0.10346 -0.00152 -0.01497 0.02243  69  GLU A C   
1139 O  O   . GLU A 69 ? 0.20556 0.09641 0.11300 -0.00157 -0.02605 0.00596  69  GLU A O   
1140 C  CB  . GLU A 69 ? 0.24668 0.10493 0.12261 0.01089  -0.02271 0.01253  69  GLU A CB  
1141 C  CG  . GLU A 69 ? 0.24429 0.15581 0.12644 0.01475  -0.02155 0.00607  69  GLU A CG  
1142 C  CD  . GLU A 69 ? 0.37647 0.18611 0.14256 0.03007  -0.01265 -0.00204 69  GLU A CD  
1143 O  OE1 . GLU A 69 ? 0.40389 0.18386 0.15151 0.08508  0.01988  -0.00558 69  GLU A OE1 
1144 O  OE2 . GLU A 69 ? 0.43592 0.20775 0.15585 0.06007  -0.05327 0.00060  69  GLU A OE2 
1151 N  N   . GLN A 70 ? 0.19824 0.07812 0.10000 -0.02799 -0.01552 0.00515  70  GLN A N   
1152 C  CA  . GLN A 70 ? 0.17344 0.09806 0.11249 -0.02389 -0.00383 -0.00843 70  GLN A CA  
1153 C  C   . GLN A 70 ? 0.17511 0.07944 0.09751 -0.01143 -0.00528 -0.00256 70  GLN A C   
1154 O  O   . GLN A 70 ? 0.23820 0.10417 0.08953 -0.03279 -0.00129 -0.00491 70  GLN A O   
1155 C  CB  . GLN A 70 ? 0.18363 0.15240 0.14685 -0.05682 0.02109  -0.00897 70  GLN A CB  
1156 C  CG  . GLN A 70 ? 0.28573 0.19042 0.18702 -0.08496 0.02516  0.01957  70  GLN A CG  
1157 C  CD  . GLN A 70 ? 0.44769 0.25968 0.22885 -0.12421 0.03072  0.03668  70  GLN A CD  
1158 O  OE1 . GLN A 70 ? 0.58489 0.23919 0.24549 -0.10493 -0.00516 0.02017  70  GLN A OE1 
1159 N  NE2 . GLN A 70 ? 0.54339 0.28867 0.24628 -0.10475 0.05056  0.05103  70  GLN A NE2 
1168 N  N   . LEU A 71 ? 0.14491 0.08283 0.10671 -0.03123 0.00186  0.00280  71  LEU A N   
1169 C  CA  . LEU A 71 ? 0.16773 0.07248 0.11968 -0.00784 -0.00251 -0.00032 71  LEU A CA  
1170 C  C   . LEU A 71 ? 0.19053 0.07280 0.11805 0.00589  0.00558  -0.00310 71  LEU A C   
1171 O  O   . LEU A 71 ? 0.19062 0.09444 0.10109 -0.01338 -0.03078 -0.00699 71  LEU A O   
1172 C  CB  . LEU A 71 ? 0.19351 0.05185 0.12618 -0.00204 -0.00854 -0.01514 71  LEU A CB  
1173 C  CG  . LEU A 71 ? 0.24120 0.09469 0.14223 0.00600  0.02578  -0.00968 71  LEU A CG  
1174 C  CD1 . LEU A 71 ? 0.24871 0.09756 0.13274 0.01116  0.02559  -0.00656 71  LEU A CD1 
1175 C  CD2 . LEU A 71 ? 0.37207 0.12297 0.15881 0.02416  0.00737  -0.00842 71  LEU A CD2 
1187 N  N   . LYS A 72 ? 0.17239 0.08543 0.12699 -0.00344 -0.01294 0.00646  72  LYS A N   
1188 C  CA  A LYS A 72 ? 0.19534 0.10258 0.13420 -0.01605 -0.01157 0.01114  72  LYS A CA  
1189 C  CA  B LYS A 72 ? 0.19280 0.10486 0.13398 0.00511  -0.00640 0.00637  72  LYS A CA  
1190 C  C   . LYS A 72 ? 0.18280 0.08826 0.13214 -0.00684 -0.01736 -0.00235 72  LYS A C   
1191 O  O   . LYS A 72 ? 0.19441 0.08594 0.13456 0.01413  -0.04740 -0.00498 72  LYS A O   
1192 C  CB  A LYS A 72 ? 0.23749 0.15268 0.14657 0.04117  -0.03128 0.02104  72  LYS A CB  
1193 C  CB  B LYS A 72 ? 0.22632 0.15082 0.14482 0.07483  -0.00781 0.01009  72  LYS A CB  
1194 C  CG  A LYS A 72 ? 0.31649 0.19085 0.16386 0.06431  -0.04320 0.03550  72  LYS A CG  
1195 C  CG  B LYS A 72 ? 0.29769 0.18586 0.16009 0.12510  -0.01044 0.01759  72  LYS A CG  
1196 C  CD  A LYS A 72 ? 0.39371 0.21732 0.17499 0.06297  -0.02642 0.05190  72  LYS A CD  
1197 C  CD  B LYS A 72 ? 0.34222 0.21745 0.16797 0.14362  0.00736  0.02573  72  LYS A CD  
1198 C  CE  A LYS A 72 ? 0.43520 0.24049 0.18176 0.06666  -0.03066 0.05629  72  LYS A CE  
1199 C  CE  B LYS A 72 ? 0.40825 0.25197 0.17102 0.10699  0.01970  0.03504  72  LYS A CE  
1200 N  NZ  A LYS A 72 ? 0.44352 0.24821 0.18272 0.09850  -0.04110 0.06099  72  LYS A NZ  
1201 N  NZ  B LYS A 72 ? 0.45147 0.26490 0.17277 0.09345  0.02819  0.03895  72  LYS A NZ  
1226 N  N   . LYS A 73 ? 0.17220 0.08146 0.12518 -0.01761 -0.02439 -0.00487 73  LYS A N   
1227 C  CA  . LYS A 73 ? 0.18500 0.09243 0.13026 -0.02385 -0.03677 0.00708  73  LYS A CA  
1228 C  C   . LYS A 73 ? 0.17249 0.10887 0.12910 -0.01684 -0.03097 -0.00088 73  LYS A C   
1229 O  O   . LYS A 73 ? 0.19566 0.11592 0.14080 0.00179  -0.04205 0.00575  73  LYS A O   
1230 C  CB  . LYS A 73 ? 0.28981 0.12244 0.12967 -0.03922 -0.00693 -0.01134 73  LYS A CB  
1231 C  CG  . LYS A 73 ? 0.35780 0.15969 0.13859 -0.05122 -0.01114 -0.00918 73  LYS A CG  
1232 C  CD  . LYS A 73 ? 0.38933 0.17481 0.14802 -0.05281 -0.01294 -0.00627 73  LYS A CD  
1233 C  CE  . LYS A 73 ? 0.39628 0.18874 0.14150 -0.07536 0.00715  -0.01402 73  LYS A CE  
1234 N  NZ  . LYS A 73 ? 0.35551 0.19410 0.14087 -0.07593 0.00371  -0.03312 73  LYS A NZ  
1248 N  N   . HIS A 74 ? 0.20489 0.09325 0.11724 -0.00744 -0.01116 -0.00939 74  HIS A N   
1249 C  CA  . HIS A 74 ? 0.17674 0.10254 0.12395 -0.00650 -0.00477 -0.01074 74  HIS A CA  
1250 C  C   . HIS A 74 ? 0.16867 0.10665 0.12753 0.04043  -0.02862 -0.01407 74  HIS A C   
1251 O  O   . HIS A 74 ? 0.19357 0.10784 0.11949 0.00538  -0.02512 -0.01891 74  HIS A O   
1252 C  CB  . HIS A 74 ? 0.19418 0.12759 0.13105 0.03627  0.00434  -0.02473 74  HIS A CB  
1253 C  CG  . HIS A 74 ? 0.27136 0.13424 0.13872 0.07018  -0.01415 -0.00494 74  HIS A CG  
1254 N  ND1 . HIS A 74 ? 0.30275 0.16887 0.15065 0.05236  0.00452  -0.02264 74  HIS A ND1 
1255 C  CD2 . HIS A 74 ? 0.31224 0.16758 0.14988 0.03868  0.00144  -0.02246 74  HIS A CD2 
1256 C  CE1 . HIS A 74 ? 0.32373 0.17961 0.15028 0.01180  0.02322  -0.01996 74  HIS A CE1 
1257 N  NE2 . HIS A 74 ? 0.30997 0.17973 0.14676 0.00602  0.00690  -0.01746 74  HIS A NE2 
1266 N  N   . LEU A 75 ? 0.19464 0.09425 0.13406 0.00915  -0.04777 -0.02705 75  LEU A N   
1267 C  CA  . LEU A 75 ? 0.21470 0.08313 0.14332 -0.01709 -0.05531 -0.02086 75  LEU A CA  
1268 C  C   . LEU A 75 ? 0.18315 0.10364 0.13829 0.00942  -0.04472 -0.00821 75  LEU A C   
1269 O  O   . LEU A 75 ? 0.19690 0.10641 0.13731 0.00651  -0.05150 0.00281  75  LEU A O   
1270 C  CB  . LEU A 75 ? 0.19752 0.09013 0.16641 -0.01130 -0.04724 -0.00852 75  LEU A CB  
1271 C  CG  . LEU A 75 ? 0.20295 0.11188 0.16690 -0.01198 -0.03885 -0.00409 75  LEU A CG  
1272 C  CD1 . LEU A 75 ? 0.22776 0.13004 0.16555 -0.00915 -0.01048 0.00173  75  LEU A CD1 
1273 C  CD2 . LEU A 75 ? 0.18240 0.12032 0.16909 -0.01060 -0.02874 0.00911  75  LEU A CD2 
1285 N  N   . GLU A 76 ? 0.20851 0.08831 0.14320 0.00693  -0.01963 -0.00510 76  GLU A N   
1286 C  CA  . GLU A 76 ? 0.19443 0.09211 0.14093 0.01339  -0.02182 0.00145  76  GLU A CA  
1287 C  C   . GLU A 76 ? 0.16971 0.09910 0.13140 0.00388  -0.04604 0.00519  76  GLU A C   
1288 O  O   . GLU A 76 ? 0.24815 0.10051 0.13864 -0.01174 -0.04435 -0.00322 76  GLU A O   
1289 C  CB  . GLU A 76 ? 0.26593 0.10953 0.15255 0.03106  -0.03562 0.00463  76  GLU A CB  
1290 C  CG  . GLU A 76 ? 0.27980 0.13543 0.17348 0.05682  -0.02075 -0.00105 76  GLU A CG  
1291 C  CD  . GLU A 76 ? 0.32033 0.20589 0.19332 0.02761  0.01436  -0.01881 76  GLU A CD  
1292 O  OE1 . GLU A 76 ? 0.33860 0.18174 0.20333 0.00228  0.01216  -0.01475 76  GLU A OE1 
1293 O  OE2 . GLU A 76 ? 0.32775 0.29484 0.20700 0.03286  0.01467  -0.02904 76  GLU A OE2 
1300 N  N   . SER A 77 ? 0.17246 0.10517 0.13129 -0.00067 -0.05527 0.01559  77  SER A N   
1301 C  CA  A SER A 77 ? 0.23248 0.16066 0.12608 -0.02920 -0.03695 0.01042  77  SER A CA  
1302 C  CA  B SER A 77 ? 0.23124 0.16036 0.13118 -0.02534 -0.03245 0.00784  77  SER A CA  
1303 C  C   . SER A 77 ? 0.22005 0.16815 0.12123 -0.00784 -0.04591 0.00149  77  SER A C   
1304 O  O   . SER A 77 ? 0.21302 0.16297 0.11356 -0.01292 -0.03493 0.01404  77  SER A O   
1305 C  CB  A SER A 77 ? 0.23869 0.19891 0.11609 -0.04476 -0.02541 0.01276  77  SER A CB  
1306 C  CB  B SER A 77 ? 0.25624 0.19941 0.13403 -0.04042 -0.00670 0.00430  77  SER A CB  
1307 O  OG  A SER A 77 ? 0.25616 0.22514 0.10747 -0.01403 -0.02249 0.01350  77  SER A OG  
1308 O  OG  B SER A 77 ? 0.30311 0.22778 0.13726 -0.02141 0.01169  -0.00150 77  SER A OG  
1317 N  N   . GLU A 78 ? 0.22700 0.15295 0.13837 0.01481  -0.04989 -0.01413 78  GLU A N   
1318 C  CA  A GLU A 78 ? 0.21199 0.13207 0.14817 0.04352  -0.02299 -0.01823 78  GLU A CA  
1319 C  CA  B GLU A 78 ? 0.22873 0.15050 0.14272 0.02763  -0.03756 -0.01882 78  GLU A CA  
1320 C  C   . GLU A 78 ? 0.19150 0.13655 0.13931 0.02386  -0.02362 -0.01814 78  GLU A C   
1321 O  O   . GLU A 78 ? 0.24690 0.15199 0.12302 -0.00737 -0.03538 -0.03144 78  GLU A O   
1322 C  CB  A GLU A 78 ? 0.27733 0.14624 0.16240 0.09161  -0.04835 -0.02038 78  GLU A CB  
1323 C  CB  B GLU A 78 ? 0.28353 0.17143 0.14848 0.04331  -0.05520 -0.02384 78  GLU A CB  
1324 C  CG  A GLU A 78 ? 0.35998 0.21540 0.18150 0.09547  -0.05708 -0.02873 78  GLU A CG  
1325 C  CG  B GLU A 78 ? 0.33825 0.20684 0.15614 0.04709  -0.06665 -0.03192 78  GLU A CG  
1326 C  CD  A GLU A 78 ? 0.47451 0.27386 0.20042 0.08439  -0.04949 -0.01707 78  GLU A CD  
1327 C  CD  B GLU A 78 ? 0.40554 0.24452 0.16417 0.04956  -0.07091 -0.03386 78  GLU A CD  
1328 O  OE1 A GLU A 78 ? 0.51404 0.29170 0.20798 0.09413  -0.06187 -0.00612 78  GLU A OE1 
1329 O  OE1 B GLU A 78 ? 0.47107 0.26193 0.16730 0.05571  -0.06530 -0.03000 78  GLU A OE1 
1330 O  OE2 A GLU A 78 ? 0.50829 0.28657 0.21562 0.11915  -0.04980 0.00318  78  GLU A OE2 
1331 O  OE2 B GLU A 78 ? 0.44455 0.26001 0.16817 0.04852  -0.06520 -0.03609 78  GLU A OE2 
1342 N  N   . GLU A 79 ? 0.20441 0.12384 0.14964 0.01272  -0.01709 -0.01402 79  GLU A N   
1343 C  CA  A GLU A 79 ? 0.20933 0.16120 0.15320 -0.01651 -0.02126 0.00003  79  GLU A CA  
1344 C  CA  B GLU A 79 ? 0.22701 0.17648 0.15361 -0.00732 -0.02504 -0.00417 79  GLU A CA  
1345 C  C   . GLU A 79 ? 0.21350 0.14427 0.14290 0.00806  -0.04540 -0.00434 79  GLU A C   
1346 O  O   . GLU A 79 ? 0.23555 0.15014 0.15065 0.03490  -0.05612 -0.00266 79  GLU A O   
1347 C  CB  A GLU A 79 ? 0.21910 0.20514 0.16504 -0.04447 -0.00650 0.00965  79  GLU A CB  
1348 C  CB  B GLU A 79 ? 0.27494 0.24875 0.16554 -0.00827 -0.02001 -0.00422 79  GLU A CB  
1349 C  CG  A GLU A 79 ? 0.24918 0.24975 0.17791 -0.05346 0.00637  0.01782  79  GLU A CG  
1350 C  CG  B GLU A 79 ? 0.31354 0.31833 0.17881 0.00652  -0.01394 -0.00446 79  GLU A CG  
1351 C  CD  A GLU A 79 ? 0.31359 0.30087 0.19078 -0.03855 0.00135  0.02348  79  GLU A CD  
1352 C  CD  B GLU A 79 ? 0.39193 0.38463 0.19132 0.01979  -0.00893 -0.00981 79  GLU A CD  
1353 O  OE1 A GLU A 79 ? 0.31607 0.31866 0.19450 -0.00906 0.00804  0.02397  79  GLU A OE1 
1354 O  OE1 B GLU A 79 ? 0.42115 0.40533 0.19462 0.03943  0.00250  -0.00618 79  GLU A OE1 
1355 O  OE2 A GLU A 79 ? 0.33950 0.34158 0.19801 -0.04862 -0.01052 0.02370  79  GLU A OE2 
1356 O  OE2 B GLU A 79 ? 0.43053 0.41498 0.19821 0.00007  -0.00339 -0.01309 79  GLU A OE2 
1367 N  N   . ALA A 80 ? 0.20182 0.13151 0.12789 -0.01066 -0.03524 -0.00516 80  ALA A N   
1368 C  CA  . ALA A 80 ? 0.24834 0.12519 0.12947 0.04049  -0.03364 0.00106  80  ALA A CA  
1369 C  C   . ALA A 80 ? 0.24302 0.10872 0.12061 0.03215  -0.06013 -0.00278 80  ALA A C   
1370 O  O   . ALA A 80 ? 0.24273 0.15467 0.11939 0.03448  -0.05086 -0.00133 80  ALA A O   
1371 C  CB  . ALA A 80 ? 0.34708 0.13764 0.13222 0.04874  -0.01472 -0.00506 80  ALA A CB  
1377 N  N   . ASN A 81 ? 0.21520 0.09713 0.12537 -0.00488 -0.02538 -0.00883 81  ASN A N   
1378 C  CA  . ASN A 81 ? 0.22333 0.12333 0.13054 0.02106  -0.01620 -0.01738 81  ASN A CA  
1379 C  C   . ASN A 81 ? 0.17340 0.09713 0.12500 0.00712  -0.03135 -0.01500 81  ASN A C   
1380 O  O   . ASN A 81 ? 0.16020 0.12228 0.13346 0.01848  -0.02586 -0.01545 81  ASN A O   
1381 C  CB  . ASN A 81 ? 0.20089 0.18979 0.15520 0.01690  -0.01606 -0.03369 81  ASN A CB  
1382 C  CG  . ASN A 81 ? 0.22516 0.27962 0.18809 0.03538  -0.00420 -0.01430 81  ASN A CG  
1383 O  OD1 . ASN A 81 ? 0.31770 0.30993 0.21516 -0.03262 0.01141  -0.00802 81  ASN A OD1 
1384 N  ND2 . ASN A 81 ? 0.22395 0.34856 0.19172 0.00951  -0.00587 -0.03369 81  ASN A ND2 
1391 N  N   . ALA A 82 ? 0.18853 0.11366 0.12356 0.00531  -0.03186 -0.02305 82  ALA A N   
1392 C  CA  . ALA A 82 ? 0.17822 0.11403 0.13597 0.00836  -0.01483 -0.02219 82  ALA A CA  
1393 C  C   . ALA A 82 ? 0.16558 0.12738 0.16205 -0.00731 -0.02155 -0.03850 82  ALA A C   
1394 O  O   . ALA A 82 ? 0.17456 0.13821 0.15257 0.00268  -0.02843 -0.04577 82  ALA A O   
1395 C  CB  . ALA A 82 ? 0.21229 0.12233 0.13253 0.00844  -0.02264 -0.01994 82  ALA A CB  
1408 CL CL  . CL  B .  ? 0.18947 0.10498 0.19682 -0.00097 0.02566  -0.00209 101 CL  A CL  
# 
