data_9HSM
# 
_entry.id   9HSM 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.401 
_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   9HSM         pdb_00009hsm 10.2210/pdb9hsm/pdb 
WWPDB D_1292144112 ?            ?                   
# 
_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       2025-02-05 
# 
_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                        9HSM 
_pdbx_database_status.recvd_initial_deposition_date   2024-12-19 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    PDBE 
_pdbx_database_status.process_site                    PDBE 
_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           N 
# 
_pdbx_database_related.db_name        PDB 
_pdbx_database_related.details        . 
_pdbx_database_related.db_id          9HSB 
_pdbx_database_related.content_type   unspecified 
# 
_pdbx_contact_author.id                 2 
_pdbx_contact_author.email              guichou@cbs.cnrs.fr 
_pdbx_contact_author.name_first         Jean-Francois 
_pdbx_contact_author.name_last          Guichou 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0002-7699-3235 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Audebert, S.'   1 0000-0003-4914-4438 
'Gelin, M.'      2 0000-0003-1320-8663 
'Guichou, J.-F.' 3 0000-0002-7699-3235 
# 
_citation.abstract                  ? 
_citation.abstract_id_CAS           ? 
_citation.book_id_ISBN              ? 
_citation.book_publisher            ? 
_citation.book_publisher_city       ? 
_citation.book_title                ? 
_citation.coordinate_linkage        ? 
_citation.country                   ? 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            'To Be Published' 
_citation.journal_id_ASTM           ? 
_citation.journal_id_CSD            0353 
_citation.journal_id_ISSN           ? 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            ? 
_citation.language                  ? 
_citation.page_first                ? 
_citation.page_last                 ? 
_citation.title                     
;Crystal structure of C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with N-hydroxy-2-methylpropanimidamide
;
_citation.year                      ? 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      ? 
_citation.pdbx_database_id_PubMed   ? 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Audebert, S.'   1 0000-0003-4914-4438 
primary 'Gelin, M.'      2 0000-0003-1320-8663 
primary 'Guichou, J.-F.' 3 0000-0002-7699-3235 
# 
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 'choline-phosphate cytidylyltransferase'  20579.881 1  2.7.7.15 ? ? 'Deletion of a lysine rich loop (720 - 737' 
2 non-polymer syn BETA-MERCAPTOETHANOL                      78.133    1  ?        ? ? ?                                           
3 non-polymer syn "2-methyl-~{N}'-oxidanyl-propanimidamide" 102.135   1  ?        ? ? ?                                           
4 water       nat water                                     18.015    43 ?        ? ? ?                                           
# 
_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       
;GAMAVPDDDDDDDNSNDESEYESSQMDSEKNKGSIKNSKNVVIYADGVYDMLHLGHMKQLEQAKKLFENTTLIVGVTSDN
ETKLFKGQVVQTLEERTETLKHIRWVDEIISPCPWVVTPEFLEKYKIDYVAHDDIPYANNQKEDIYAWLKRAGKFKATQR
TEGVSTTDLIVRILKNYED
;
_entity_poly.pdbx_seq_one_letter_code_can   
;GAMAVPDDDDDDDNSNDESEYESSQMDSEKNKGSIKNSKNVVIYADGVYDMLHLGHMKQLEQAKKLFENTTLIVGVTSDN
ETKLFKGQVVQTLEERTETLKHIRWVDEIISPCPWVVTPEFLEKYKIDYVAHDDIPYANNQKEDIYAWLKRAGKFKATQR
TEGVSTTDLIVRILKNYED
;
_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 BETA-MERCAPTOETHANOL                      BME   
3 "2-methyl-~{N}'-oxidanyl-propanimidamide" A1IWW 
4 water                                     HOH   
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   GLY n 
1 2   ALA n 
1 3   MET n 
1 4   ALA n 
1 5   VAL n 
1 6   PRO n 
1 7   ASP n 
1 8   ASP n 
1 9   ASP n 
1 10  ASP n 
1 11  ASP n 
1 12  ASP n 
1 13  ASP n 
1 14  ASN n 
1 15  SER n 
1 16  ASN n 
1 17  ASP n 
1 18  GLU n 
1 19  SER n 
1 20  GLU n 
1 21  TYR n 
1 22  GLU n 
1 23  SER n 
1 24  SER n 
1 25  GLN n 
1 26  MET n 
1 27  ASP n 
1 28  SER n 
1 29  GLU n 
1 30  LYS n 
1 31  ASN n 
1 32  LYS n 
1 33  GLY n 
1 34  SER n 
1 35  ILE n 
1 36  LYS n 
1 37  ASN n 
1 38  SER n 
1 39  LYS n 
1 40  ASN n 
1 41  VAL n 
1 42  VAL n 
1 43  ILE n 
1 44  TYR n 
1 45  ALA n 
1 46  ASP n 
1 47  GLY n 
1 48  VAL n 
1 49  TYR n 
1 50  ASP n 
1 51  MET n 
1 52  LEU n 
1 53  HIS n 
1 54  LEU n 
1 55  GLY n 
1 56  HIS n 
1 57  MET n 
1 58  LYS n 
1 59  GLN n 
1 60  LEU n 
1 61  GLU n 
1 62  GLN n 
1 63  ALA n 
1 64  LYS n 
1 65  LYS n 
1 66  LEU n 
1 67  PHE n 
1 68  GLU n 
1 69  ASN n 
1 70  THR n 
1 71  THR n 
1 72  LEU n 
1 73  ILE n 
1 74  VAL n 
1 75  GLY n 
1 76  VAL n 
1 77  THR n 
1 78  SER n 
1 79  ASP n 
1 80  ASN n 
1 81  GLU n 
1 82  THR n 
1 83  LYS n 
1 84  LEU n 
1 85  PHE n 
1 86  LYS n 
1 87  GLY n 
1 88  GLN n 
1 89  VAL n 
1 90  VAL n 
1 91  GLN n 
1 92  THR n 
1 93  LEU n 
1 94  GLU n 
1 95  GLU n 
1 96  ARG n 
1 97  THR n 
1 98  GLU n 
1 99  THR n 
1 100 LEU n 
1 101 LYS n 
1 102 HIS n 
1 103 ILE n 
1 104 ARG n 
1 105 TRP n 
1 106 VAL n 
1 107 ASP n 
1 108 GLU n 
1 109 ILE n 
1 110 ILE n 
1 111 SER n 
1 112 PRO n 
1 113 CYS n 
1 114 PRO n 
1 115 TRP n 
1 116 VAL n 
1 117 VAL n 
1 118 THR n 
1 119 PRO n 
1 120 GLU n 
1 121 PHE n 
1 122 LEU n 
1 123 GLU n 
1 124 LYS n 
1 125 TYR n 
1 126 LYS n 
1 127 ILE n 
1 128 ASP n 
1 129 TYR n 
1 130 VAL n 
1 131 ALA n 
1 132 HIS n 
1 133 ASP n 
1 134 ASP n 
1 135 ILE n 
1 136 PRO n 
1 137 TYR n 
1 138 ALA n 
1 139 ASN n 
1 140 ASN n 
1 141 GLN n 
1 142 LYS n 
1 143 GLU n 
1 144 ASP n 
1 145 ILE n 
1 146 TYR n 
1 147 ALA n 
1 148 TRP n 
1 149 LEU n 
1 150 LYS n 
1 151 ARG n 
1 152 ALA n 
1 153 GLY n 
1 154 LYS n 
1 155 PHE n 
1 156 LYS n 
1 157 ALA n 
1 158 THR n 
1 159 GLN n 
1 160 ARG n 
1 161 THR n 
1 162 GLU n 
1 163 GLY n 
1 164 VAL n 
1 165 SER n 
1 166 THR n 
1 167 THR n 
1 168 ASP n 
1 169 LEU n 
1 170 ILE n 
1 171 VAL n 
1 172 ARG n 
1 173 ILE n 
1 174 LEU n 
1 175 LYS n 
1 176 ASN n 
1 177 TYR n 
1 178 GLU n 
1 179 ASP 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                   179 
_entity_src_gen.gene_src_common_name               'malaria parasite P. falciparum' 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 PF3D7_1316600 
_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      'Plasmodium falciparum' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     5833 
_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 BL21(DE3)' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     469008 
_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 
A1IWW non-polymer         . "2-methyl-~{N}'-oxidanyl-propanimidamide" ? 'C4 H10 N2 O'    102.135 
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 
BME   non-polymer         . BETA-MERCAPTOETHANOL                      ? 'C2 H6 O S'      78.133  
CYS   'L-peptide linking' y CYSTEINE                                  ? 'C3 H7 N O2 S'   121.158 
GLN   'L-peptide linking' y GLUTAMINE                                 ? 'C5 H10 N2 O3'   146.144 
GLU   'L-peptide linking' y 'GLUTAMIC ACID'                           ? 'C5 H9 N O4'     147.129 
GLY   'peptide linking'   y GLYCINE                                   ? 'C2 H5 N O2'     75.067  
HIS   'L-peptide linking' y HISTIDINE                                 ? 'C6 H10 N3 O2 1' 156.162 
HOH   non-polymer         . WATER                                     ? 'H2 O'           18.015  
ILE   'L-peptide linking' y ISOLEUCINE                                ? 'C6 H13 N O2'    131.173 
LEU   'L-peptide linking' y LEUCINE                                   ? 'C6 H13 N O2'    131.173 
LYS   'L-peptide linking' y LYSINE                                    ? 'C6 H15 N2 O2 1' 147.195 
MET   'L-peptide linking' y METHIONINE                                ? 'C5 H11 N O2 S'  149.211 
PHE   'L-peptide linking' y PHENYLALANINE                             ? 'C9 H11 N O2'    165.189 
PRO   'L-peptide linking' y PROLINE                                   ? 'C5 H9 N O2'     115.130 
SER   'L-peptide linking' y SERINE                                    ? 'C3 H7 N O3'     105.093 
THR   'L-peptide linking' y THREONINE                                 ? 'C4 H9 N O3'     119.119 
TRP   'L-peptide linking' y TRYPTOPHAN                                ? 'C11 H12 N2 O2'  204.225 
TYR   'L-peptide linking' y TYROSINE                                  ? 'C9 H11 N O3'    181.189 
VAL   'L-peptide linking' y VALINE                                    ? 'C5 H11 N O2'    117.146 
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1   GLY 1   578 ?   ?   ?   A . n 
A 1 2   ALA 2   579 ?   ?   ?   A . n 
A 1 3   MET 3   580 ?   ?   ?   A . n 
A 1 4   ALA 4   581 ?   ?   ?   A . n 
A 1 5   VAL 5   582 ?   ?   ?   A . n 
A 1 6   PRO 6   583 ?   ?   ?   A . n 
A 1 7   ASP 7   584 ?   ?   ?   A . n 
A 1 8   ASP 8   585 ?   ?   ?   A . n 
A 1 9   ASP 9   586 ?   ?   ?   A . n 
A 1 10  ASP 10  587 ?   ?   ?   A . n 
A 1 11  ASP 11  588 ?   ?   ?   A . n 
A 1 12  ASP 12  589 ?   ?   ?   A . n 
A 1 13  ASP 13  590 ?   ?   ?   A . n 
A 1 14  ASN 14  591 ?   ?   ?   A . n 
A 1 15  SER 15  592 ?   ?   ?   A . n 
A 1 16  ASN 16  593 ?   ?   ?   A . n 
A 1 17  ASP 17  594 ?   ?   ?   A . n 
A 1 18  GLU 18  595 ?   ?   ?   A . n 
A 1 19  SER 19  596 ?   ?   ?   A . n 
A 1 20  GLU 20  597 ?   ?   ?   A . n 
A 1 21  TYR 21  598 ?   ?   ?   A . n 
A 1 22  GLU 22  599 ?   ?   ?   A . n 
A 1 23  SER 23  600 ?   ?   ?   A . n 
A 1 24  SER 24  601 ?   ?   ?   A . n 
A 1 25  GLN 25  602 ?   ?   ?   A . n 
A 1 26  MET 26  603 ?   ?   ?   A . n 
A 1 27  ASP 27  604 ?   ?   ?   A . n 
A 1 28  SER 28  605 ?   ?   ?   A . n 
A 1 29  GLU 29  606 ?   ?   ?   A . n 
A 1 30  LYS 30  607 ?   ?   ?   A . n 
A 1 31  ASN 31  608 ?   ?   ?   A . n 
A 1 32  LYS 32  609 ?   ?   ?   A . n 
A 1 33  GLY 33  610 ?   ?   ?   A . n 
A 1 34  SER 34  611 ?   ?   ?   A . n 
A 1 35  ILE 35  612 ?   ?   ?   A . n 
A 1 36  LYS 36  613 ?   ?   ?   A . n 
A 1 37  ASN 37  614 ?   ?   ?   A . n 
A 1 38  SER 38  615 ?   ?   ?   A . n 
A 1 39  LYS 39  616 616 LYS LYS A . n 
A 1 40  ASN 40  617 617 ASN ASN A . n 
A 1 41  VAL 41  618 618 VAL VAL A . n 
A 1 42  VAL 42  619 619 VAL VAL A . n 
A 1 43  ILE 43  620 620 ILE ILE A . n 
A 1 44  TYR 44  621 621 TYR TYR A . n 
A 1 45  ALA 45  622 622 ALA ALA A . n 
A 1 46  ASP 46  623 623 ASP ASP A . n 
A 1 47  GLY 47  624 624 GLY GLY A . n 
A 1 48  VAL 48  625 625 VAL VAL A . n 
A 1 49  TYR 49  626 626 TYR TYR A . n 
A 1 50  ASP 50  627 627 ASP ASP A . n 
A 1 51  MET 51  628 628 MET MET A . n 
A 1 52  LEU 52  629 629 LEU LEU A . n 
A 1 53  HIS 53  630 630 HIS HIS A . n 
A 1 54  LEU 54  631 631 LEU LEU A . n 
A 1 55  GLY 55  632 632 GLY GLY A . n 
A 1 56  HIS 56  633 633 HIS HIS A . n 
A 1 57  MET 57  634 634 MET MET A . n 
A 1 58  LYS 58  635 635 LYS LYS A . n 
A 1 59  GLN 59  636 636 GLN GLN A . n 
A 1 60  LEU 60  637 637 LEU LEU A . n 
A 1 61  GLU 61  638 638 GLU GLU A . n 
A 1 62  GLN 62  639 639 GLN GLN A . n 
A 1 63  ALA 63  640 640 ALA ALA A . n 
A 1 64  LYS 64  641 641 LYS LYS A . n 
A 1 65  LYS 65  642 642 LYS LYS A . n 
A 1 66  LEU 66  643 643 LEU LEU A . n 
A 1 67  PHE 67  644 644 PHE PHE A . n 
A 1 68  GLU 68  645 645 GLU GLU A . n 
A 1 69  ASN 69  646 646 ASN ASN A . n 
A 1 70  THR 70  647 647 THR THR A . n 
A 1 71  THR 71  648 648 THR THR A . n 
A 1 72  LEU 72  649 649 LEU LEU A . n 
A 1 73  ILE 73  650 650 ILE ILE A . n 
A 1 74  VAL 74  651 651 VAL VAL A . n 
A 1 75  GLY 75  652 652 GLY GLY A . n 
A 1 76  VAL 76  653 653 VAL VAL A . n 
A 1 77  THR 77  654 654 THR THR A . n 
A 1 78  SER 78  655 655 SER SER A . n 
A 1 79  ASP 79  656 656 ASP ASP A . n 
A 1 80  ASN 80  657 657 ASN ASN A . n 
A 1 81  GLU 81  658 658 GLU GLU A . n 
A 1 82  THR 82  659 659 THR THR A . n 
A 1 83  LYS 83  660 660 LYS LYS A . n 
A 1 84  LEU 84  661 661 LEU LEU A . n 
A 1 85  PHE 85  662 662 PHE PHE A . n 
A 1 86  LYS 86  663 663 LYS LYS A . n 
A 1 87  GLY 87  664 664 GLY GLY A . n 
A 1 88  GLN 88  665 665 GLN GLN A . n 
A 1 89  VAL 89  666 666 VAL VAL A . n 
A 1 90  VAL 90  667 667 VAL VAL A . n 
A 1 91  GLN 91  668 668 GLN GLN A . n 
A 1 92  THR 92  669 669 THR THR A . n 
A 1 93  LEU 93  670 670 LEU LEU A . n 
A 1 94  GLU 94  671 671 GLU GLU A . n 
A 1 95  GLU 95  672 672 GLU GLU A . n 
A 1 96  ARG 96  673 673 ARG ARG A . n 
A 1 97  THR 97  674 674 THR THR A . n 
A 1 98  GLU 98  675 675 GLU GLU A . n 
A 1 99  THR 99  676 676 THR THR A . n 
A 1 100 LEU 100 677 677 LEU LEU A . n 
A 1 101 LYS 101 678 678 LYS LYS A . n 
A 1 102 HIS 102 679 679 HIS HIS A . n 
A 1 103 ILE 103 680 680 ILE ILE A . n 
A 1 104 ARG 104 681 681 ARG ARG A . n 
A 1 105 TRP 105 682 682 TRP TRP A . n 
A 1 106 VAL 106 683 683 VAL VAL A . n 
A 1 107 ASP 107 684 684 ASP ASP A . n 
A 1 108 GLU 108 685 685 GLU GLU A . n 
A 1 109 ILE 109 686 686 ILE ILE A . n 
A 1 110 ILE 110 687 687 ILE ILE A . n 
A 1 111 SER 111 688 688 SER SER A . n 
A 1 112 PRO 112 689 689 PRO PRO A . n 
A 1 113 CYS 113 690 690 CYS CYS A . n 
A 1 114 PRO 114 691 691 PRO PRO A . n 
A 1 115 TRP 115 692 692 TRP TRP A . n 
A 1 116 VAL 116 693 693 VAL VAL A . n 
A 1 117 VAL 117 694 694 VAL VAL A . n 
A 1 118 THR 118 695 695 THR THR A . n 
A 1 119 PRO 119 696 696 PRO PRO A . n 
A 1 120 GLU 120 697 697 GLU GLU A . n 
A 1 121 PHE 121 698 698 PHE PHE A . n 
A 1 122 LEU 122 699 699 LEU LEU A . n 
A 1 123 GLU 123 700 700 GLU GLU A . n 
A 1 124 LYS 124 701 701 LYS LYS A . n 
A 1 125 TYR 125 702 702 TYR TYR A . n 
A 1 126 LYS 126 703 703 LYS LYS A . n 
A 1 127 ILE 127 704 704 ILE ILE A . n 
A 1 128 ASP 128 705 705 ASP ASP A . n 
A 1 129 TYR 129 706 706 TYR TYR A . n 
A 1 130 VAL 130 707 707 VAL VAL A . n 
A 1 131 ALA 131 708 708 ALA ALA A . n 
A 1 132 HIS 132 709 709 HIS HIS A . n 
A 1 133 ASP 133 710 710 ASP ASP A . n 
A 1 134 ASP 134 711 711 ASP ASP A . n 
A 1 135 ILE 135 712 712 ILE ILE A . n 
A 1 136 PRO 136 731 ?   ?   ?   A . n 
A 1 137 TYR 137 732 ?   ?   ?   A . n 
A 1 138 ALA 138 733 ?   ?   ?   A . n 
A 1 139 ASN 139 734 ?   ?   ?   A . n 
A 1 140 ASN 140 735 ?   ?   ?   A . n 
A 1 141 GLN 141 736 ?   ?   ?   A . n 
A 1 142 LYS 142 737 ?   ?   ?   A . n 
A 1 143 GLU 143 738 ?   ?   ?   A . n 
A 1 144 ASP 144 739 739 ASP ASP A . n 
A 1 145 ILE 145 740 740 ILE ILE A . n 
A 1 146 TYR 146 741 741 TYR TYR A . n 
A 1 147 ALA 147 742 742 ALA ALA A . n 
A 1 148 TRP 148 743 743 TRP TRP A . n 
A 1 149 LEU 149 744 744 LEU LEU A . n 
A 1 150 LYS 150 745 745 LYS LYS A . n 
A 1 151 ARG 151 746 746 ARG ARG A . n 
A 1 152 ALA 152 747 747 ALA ALA A . n 
A 1 153 GLY 153 748 748 GLY GLY A . n 
A 1 154 LYS 154 749 749 LYS LYS A . n 
A 1 155 PHE 155 750 750 PHE PHE A . n 
A 1 156 LYS 156 751 751 LYS LYS A . n 
A 1 157 ALA 157 752 752 ALA ALA A . n 
A 1 158 THR 158 753 753 THR THR A . n 
A 1 159 GLN 159 754 754 GLN GLN A . n 
A 1 160 ARG 160 755 755 ARG ARG A . n 
A 1 161 THR 161 756 756 THR THR A . n 
A 1 162 GLU 162 757 757 GLU GLU A . n 
A 1 163 GLY 163 758 758 GLY GLY A . n 
A 1 164 VAL 164 759 759 VAL VAL A . n 
A 1 165 SER 165 760 760 SER SER A . n 
A 1 166 THR 166 761 761 THR THR A . n 
A 1 167 THR 167 762 762 THR THR A . n 
A 1 168 ASP 168 763 763 ASP ASP A . n 
A 1 169 LEU 169 764 764 LEU LEU A . n 
A 1 170 ILE 170 765 765 ILE ILE A . n 
A 1 171 VAL 171 766 766 VAL VAL A . n 
A 1 172 ARG 172 767 767 ARG ARG A . n 
A 1 173 ILE 173 768 768 ILE ILE A . n 
A 1 174 LEU 174 769 769 LEU LEU A . n 
A 1 175 LYS 175 770 770 LYS LYS A . n 
A 1 176 ASN 176 771 771 ASN ASN A . n 
A 1 177 TYR 177 772 772 TYR TYR A . n 
A 1 178 GLU 178 773 ?   ?   ?   A . n 
A 1 179 ASP 179 774 ?   ?   ?   A . n 
# 
loop_
_pdbx_entity_instance_feature.ordinal 
_pdbx_entity_instance_feature.comp_id 
_pdbx_entity_instance_feature.asym_id 
_pdbx_entity_instance_feature.seq_num 
_pdbx_entity_instance_feature.auth_comp_id 
_pdbx_entity_instance_feature.auth_asym_id 
_pdbx_entity_instance_feature.auth_seq_num 
_pdbx_entity_instance_feature.feature_type 
_pdbx_entity_instance_feature.details 
1 BME   ? ? BME   ? ? 'SUBJECT OF INVESTIGATION' ? 
2 A1IWW ? ? A1IWW ? ? 'SUBJECT OF INVESTIGATION' ? 
# 
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 BME   1  801 801 BME   BME A . 
C 3 A1IWW 1  802 1   A1IWW LIG A . 
D 4 HOH   1  901 6   HOH   HOH A . 
D 4 HOH   2  902 14  HOH   HOH A . 
D 4 HOH   3  903 3   HOH   HOH A . 
D 4 HOH   4  904 67  HOH   HOH A . 
D 4 HOH   5  905 37  HOH   HOH A . 
D 4 HOH   6  906 9   HOH   HOH A . 
D 4 HOH   7  907 5   HOH   HOH A . 
D 4 HOH   8  908 26  HOH   HOH A . 
D 4 HOH   9  909 20  HOH   HOH A . 
D 4 HOH   10 910 70  HOH   HOH A . 
D 4 HOH   11 911 31  HOH   HOH A . 
D 4 HOH   12 912 13  HOH   HOH A . 
D 4 HOH   13 913 18  HOH   HOH A . 
D 4 HOH   14 914 2   HOH   HOH A . 
D 4 HOH   15 915 60  HOH   HOH A . 
D 4 HOH   16 916 41  HOH   HOH A . 
D 4 HOH   17 917 11  HOH   HOH A . 
D 4 HOH   18 918 16  HOH   HOH A . 
D 4 HOH   19 919 22  HOH   HOH A . 
D 4 HOH   20 920 1   HOH   HOH A . 
D 4 HOH   21 921 10  HOH   HOH A . 
D 4 HOH   22 922 29  HOH   HOH A . 
D 4 HOH   23 923 7   HOH   HOH A . 
D 4 HOH   24 924 28  HOH   HOH A . 
D 4 HOH   25 925 4   HOH   HOH A . 
D 4 HOH   26 926 19  HOH   HOH A . 
D 4 HOH   27 927 47  HOH   HOH A . 
D 4 HOH   28 928 17  HOH   HOH A . 
D 4 HOH   29 929 62  HOH   HOH A . 
D 4 HOH   30 930 34  HOH   HOH A . 
D 4 HOH   31 931 35  HOH   HOH A . 
D 4 HOH   32 932 21  HOH   HOH A . 
D 4 HOH   33 933 44  HOH   HOH A . 
D 4 HOH   34 934 46  HOH   HOH A . 
D 4 HOH   35 935 55  HOH   HOH A . 
D 4 HOH   36 936 8   HOH   HOH A . 
D 4 HOH   37 937 64  HOH   HOH A . 
D 4 HOH   38 938 68  HOH   HOH A . 
D 4 HOH   39 939 69  HOH   HOH A . 
D 4 HOH   40 940 32  HOH   HOH A . 
D 4 HOH   41 941 71  HOH   HOH A . 
D 4 HOH   42 942 56  HOH   HOH A . 
D 4 HOH   43 943 43  HOH   HOH A . 
# 
loop_
_pdbx_unobs_or_zero_occ_atoms.id 
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num 
_pdbx_unobs_or_zero_occ_atoms.polymer_flag 
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag 
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id 
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id 
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id 
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code 
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id 
_pdbx_unobs_or_zero_occ_atoms.label_alt_id 
_pdbx_unobs_or_zero_occ_atoms.label_asym_id 
_pdbx_unobs_or_zero_occ_atoms.label_comp_id 
_pdbx_unobs_or_zero_occ_atoms.label_seq_id 
_pdbx_unobs_or_zero_occ_atoms.label_atom_id 
1  1 Y 1 A GLU 645 ? CG  ? A GLU 68  CG  
2  1 Y 1 A GLU 645 ? CD  ? A GLU 68  CD  
3  1 Y 1 A GLU 645 ? OE1 ? A GLU 68  OE1 
4  1 Y 1 A GLU 645 ? OE2 ? A GLU 68  OE2 
5  1 Y 1 A GLN 665 ? CG  ? A GLN 88  CG  
6  1 Y 1 A GLN 665 ? CD  ? A GLN 88  CD  
7  1 Y 1 A GLN 665 ? OE1 ? A GLN 88  OE1 
8  1 Y 1 A GLN 665 ? NE2 ? A GLN 88  NE2 
9  1 Y 1 A ILE 712 ? CG1 ? A ILE 135 CG1 
10 1 Y 1 A ILE 712 ? CG2 ? A ILE 135 CG2 
11 1 Y 1 A ILE 712 ? CD1 ? A ILE 135 CD1 
12 1 Y 1 A ARG 755 ? CG  ? A ARG 160 CG  
13 1 Y 1 A ARG 755 ? CD  ? A ARG 160 CD  
14 1 Y 1 A ARG 755 ? NE  ? A ARG 160 NE  
15 1 Y 1 A ARG 755 ? CZ  ? A ARG 160 CZ  
16 1 Y 1 A ARG 755 ? NH1 ? A ARG 160 NH1 
17 1 Y 1 A ARG 755 ? NH2 ? A ARG 160 NH2 
18 1 Y 1 A GLU 757 ? CG  ? A GLU 162 CG  
19 1 Y 1 A GLU 757 ? CD  ? A GLU 162 CD  
20 1 Y 1 A GLU 757 ? OE1 ? A GLU 162 OE1 
21 1 Y 1 A GLU 757 ? OE2 ? A GLU 162 OE2 
22 1 Y 1 A VAL 759 ? CG1 ? A VAL 164 CG1 
23 1 Y 1 A VAL 759 ? CG2 ? A VAL 164 CG2 
24 1 Y 1 A LEU 764 ? CG  ? A LEU 169 CG  
25 1 Y 1 A LEU 764 ? CD1 ? A LEU 169 CD1 
26 1 Y 1 A LEU 764 ? CD2 ? A LEU 169 CD2 
27 1 Y 1 A LYS 770 ? CG  ? A LYS 175 CG  
28 1 Y 1 A LYS 770 ? CD  ? A LYS 175 CD  
29 1 Y 1 A LYS 770 ? CE  ? A LYS 175 CE  
30 1 Y 1 A LYS 770 ? NZ  ? A LYS 175 NZ  
31 1 Y 1 A ASN 771 ? CG  ? A ASN 176 CG  
32 1 Y 1 A ASN 771 ? OD1 ? A ASN 176 OD1 
33 1 Y 1 A ASN 771 ? ND2 ? A ASN 176 ND2 
# 
_software.citation_id            ? 
_software.classification         refinement 
_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                   PHENIX 
_software.os                     ? 
_software.os_version             ? 
_software.type                   ? 
_software.version                1.19.2_4158 
_software.pdbx_ordinal           1 
# 
_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                     9HSM 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     50.124 
_cell.length_a_esd                 ? 
_cell.length_b                     67.522 
_cell.length_b_esd                 ? 
_cell.length_c                     117.202 
_cell.length_c_esd                 ? 
_cell.volume                       396666.973 
_cell.volume_esd                   ? 
_cell.Z_PDB                        8 
_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                         9HSM 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                23 
_symmetry.space_group_name_Hall            'I 2 2' 
_symmetry.space_group_name_H-M             'I 2 2 2' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
# 
_exptl.absorpt_coefficient_mu     ? 
_exptl.absorpt_correction_T_max   ? 
_exptl.absorpt_correction_T_min   ? 
_exptl.absorpt_correction_type    ? 
_exptl.absorpt_process_details    ? 
_exptl.entry_id                   9HSM 
_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             2.41 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          48.95 
_exptl_crystal.description                  ? 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_esd   ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, HANGING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              7.5 
_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    'PEG 3350 11.5%, NaF 210 mM, Glycerol 5.8%, MnCl2 15mM, 1,3 propandiol 3%' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            291.15 
# 
_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 EIGER2 S 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         2023-03-10 
_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   0.8856 
_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                        'ESRF BEAMLINE ID23-1' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.8856 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   ID23-1 
_diffrn_source.pdbx_synchrotron_site       ESRF 
# 
_reflns.B_iso_Wilson_estimate                          43.47 
_reflns.entry_id                                       9HSM 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.96 
_reflns.d_resolution_low                               46.09 
_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                                     22386 
_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                           96.9 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                4.2 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          11.4 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               1.00 
_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                                0.074 
_reflns.pdbx_Rpim_I_all                                0.035 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.982 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.064 
_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                                    1.96 
_reflns_shell.d_res_low                                     2.01 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           ? 
_reflns_shell.number_measured_all                           4051 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             973 
_reflns_shell.percent_possible_obs                          96.1 
_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                               4.2 
_reflns_shell.pdbx_chi_squared                              0.87 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     0.7 
_reflns_shell.pdbx_Rrim_I_all                               2.023 
_reflns_shell.pdbx_Rpim_I_all                               0.959 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.346 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          ? 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  1.765 
_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                               52.79 
_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                                 9HSM 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_abs_structure_details                 ? 
_refine.ls_abs_structure_Flack                   ? 
_refine.ls_abs_structure_Flack_esd               ? 
_refine.ls_abs_structure_Rogers                  ? 
_refine.ls_abs_structure_Rogers_esd              ? 
_refine.ls_d_res_high                            2.05 
_refine.ls_d_res_low                             46.09 
_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                     22386 
_refine.ls_number_reflns_R_free                  1074 
_refine.ls_number_reflns_R_work                  21312 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    92.80 
_refine.ls_percent_reflns_R_free                 4.80 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.2125 
_refine.ls_R_factor_R_free                       0.2348 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.2114 
_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                          1.34 
_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             1.1100 
_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                 28.9930 
_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                            0.2286 
_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                       2.05 
_refine_hist.d_res_low                        46.09 
_refine_hist.number_atoms_solvent             43 
_refine_hist.number_atoms_total               1096 
_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        1042 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         11 
_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' ? 0.0077  ? 1072 ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 0.7799  ? 1451 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 0.0527  ? 169  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.0048  ? 178  ? f_plane_restr      ? ? 
'X-RAY DIFFRACTION' ? 13.3136 ? 385  ? 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' 2.05 2.14  . . 132 2721 95.39 . . . . 0.2962 . . . . . . . . . . . 0.3033 
'X-RAY DIFFRACTION' 2.14 2.26  . . 148 2719 93.69 . . . . 0.2681 . . . . . . . . . . . 0.2584 
'X-RAY DIFFRACTION' 2.26 2.40  . . 114 2610 90.56 . . . . 0.2682 . . . . . . . . . . . 0.3297 
'X-RAY DIFFRACTION' 2.40 2.58  . . 145 2683 94.58 . . . . 0.2464 . . . . . . . . . . . 0.3178 
'X-RAY DIFFRACTION' 2.58 2.84  . . 135 2703 94.47 . . . . 0.2571 . . . . . . . . . . . 0.2422 
'X-RAY DIFFRACTION' 2.84 3.25  . . 140 2695 93.72 . . . . 0.2247 . . . . . . . . . . . 0.2561 
'X-RAY DIFFRACTION' 3.25 4.10  . . 124 2565 89.31 . . . . 0.1887 . . . . . . . . . . . 0.2135 
'X-RAY DIFFRACTION' 4.10 46.09 . . 136 2616 90.80 . . . . 0.1796 . . . . . . . . . . . 0.1995 
# 
_struct.entry_id                     9HSM 
_struct.title                        
;Crystal structure of C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with N-hydroxy-2-methylpropanimidamide
;
_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        9HSM 
_struct_keywords.text            'Transferase, CCT' 
_struct_keywords.pdbx_keywords   TRANSFERASE 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 3 ? 
D N N 4 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    Q8IEE9_PLAF7 
_struct_ref.pdbx_db_accession          Q8IEE9 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;AVPDDDDDDDNSNDESEYESSQMDSEKNKGSIKNSKNVVIYADGVYDMLHLGHMKQLEQAKKLFENTTLIVGVTSDNETK
LFKGQVVQTLEERTETLKHIRWVDEIISPCPWVVTPEFLEKYKIDYVAHDDIPYANNQKKKKKKKSKGKSFSFDEENEDI
YAWLKRAGKFKATQRTEGVSTTDLIVRILKNYED
;
_struct_ref.pdbx_align_begin           581 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              9HSM 
_struct_ref_seq.pdbx_strand_id                A 
_struct_ref_seq.seq_align_beg                 4 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 179 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             Q8IEE9 
_struct_ref_seq.db_align_beg                  581 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  774 
_struct_ref_seq.pdbx_db_align_end_ins_code    ? 
_struct_ref_seq.pdbx_auth_seq_align_beg       581 
_struct_ref_seq.pdbx_auth_seq_align_end       774 
# 
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 9HSM GLY A 1 ? UNP Q8IEE9 ?   ?   'expression tag' 578 1  
1 9HSM ALA A 2 ? UNP Q8IEE9 ?   ?   'expression tag' 579 2  
1 9HSM MET A 3 ? UNP Q8IEE9 ?   ?   'expression tag' 580 3  
1 9HSM ?   A ? ? UNP Q8IEE9 LYS 720 deletion         ?   4  
1 9HSM ?   A ? ? UNP Q8IEE9 LYS 721 deletion         ?   5  
1 9HSM ?   A ? ? UNP Q8IEE9 LYS 722 deletion         ?   6  
1 9HSM ?   A ? ? UNP Q8IEE9 LYS 723 deletion         ?   7  
1 9HSM ?   A ? ? UNP Q8IEE9 LYS 724 deletion         ?   8  
1 9HSM ?   A ? ? UNP Q8IEE9 LYS 725 deletion         ?   9  
1 9HSM ?   A ? ? UNP Q8IEE9 SER 726 deletion         ?   10 
1 9HSM ?   A ? ? UNP Q8IEE9 LYS 727 deletion         ?   11 
1 9HSM ?   A ? ? UNP Q8IEE9 GLY 728 deletion         ?   12 
1 9HSM ?   A ? ? UNP Q8IEE9 LYS 729 deletion         ?   13 
1 9HSM ?   A ? ? UNP Q8IEE9 SER 730 deletion         ?   14 
1 9HSM ?   A ? ? UNP Q8IEE9 PHE 731 deletion         ?   15 
1 9HSM ?   A ? ? UNP Q8IEE9 SER 732 deletion         ?   16 
1 9HSM ?   A ? ? UNP Q8IEE9 PHE 733 deletion         ?   17 
1 9HSM ?   A ? ? UNP Q8IEE9 ASP 734 deletion         ?   18 
1 9HSM ?   A ? ? UNP Q8IEE9 GLU 735 deletion         ?   19 
1 9HSM ?   A ? ? UNP Q8IEE9 GLU 736 deletion         ?   20 
1 9HSM ?   A ? ? UNP Q8IEE9 ASN 737 deletion         ?   21 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   dimeric 
_pdbx_struct_assembly.oligomeric_count     2 
# 
loop_
_pdbx_struct_assembly_prop.biol_id 
_pdbx_struct_assembly_prop.type 
_pdbx_struct_assembly_prop.value 
_pdbx_struct_assembly_prop.details 
1 'ABSA (A^2)' 2520  ? 
1 MORE         -9    ? 
1 'SSA (A^2)'  13660 ? 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1,2 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   'gel filtration' 
_pdbx_struct_assembly_auth_evidence.details                dimer 
# 
loop_
_pdbx_struct_oper_list.id 
_pdbx_struct_oper_list.type 
_pdbx_struct_oper_list.name 
_pdbx_struct_oper_list.symmetry_operation 
_pdbx_struct_oper_list.matrix[1][1] 
_pdbx_struct_oper_list.matrix[1][2] 
_pdbx_struct_oper_list.matrix[1][3] 
_pdbx_struct_oper_list.vector[1] 
_pdbx_struct_oper_list.matrix[2][1] 
_pdbx_struct_oper_list.matrix[2][2] 
_pdbx_struct_oper_list.matrix[2][3] 
_pdbx_struct_oper_list.vector[2] 
_pdbx_struct_oper_list.matrix[3][1] 
_pdbx_struct_oper_list.matrix[3][2] 
_pdbx_struct_oper_list.matrix[3][3] 
_pdbx_struct_oper_list.vector[3] 
1 'identity operation'         1_555 x,y,z     1.0000000000  0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000  
0.0000000000 0.0000000000   0.0000000000 0.0000000000 1.0000000000 0.0000000000 
2 'crystal symmetry operation' 2_545 -x,-y-1,z -1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -1.0000000000 
0.0000000000 -67.5220000000 0.0000000000 0.0000000000 1.0000000000 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 HIS A 53  ? LYS A 65  ? HIS A 630 LYS A 642 1 ? 13 
HELX_P HELX_P2 AA2 SER A 78  ? GLY A 87  ? SER A 655 GLY A 664 1 ? 10 
HELX_P HELX_P3 AA3 THR A 92  ? HIS A 102 ? THR A 669 HIS A 679 1 ? 11 
HELX_P HELX_P4 AA4 THR A 118 ? TYR A 125 ? THR A 695 TYR A 702 1 ? 8  
HELX_P HELX_P5 AA5 TYR A 146 ? ALA A 152 ? TYR A 741 ALA A 747 1 ? 7  
HELX_P HELX_P6 AA6 SER A 165 ? ASN A 176 ? SER A 760 ASN A 771 1 ? 12 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
_struct_mon_prot_cis.pdbx_id                1 
_struct_mon_prot_cis.label_comp_id          SER 
_struct_mon_prot_cis.label_seq_id           111 
_struct_mon_prot_cis.label_asym_id          A 
_struct_mon_prot_cis.label_alt_id           . 
_struct_mon_prot_cis.pdbx_PDB_ins_code      ? 
_struct_mon_prot_cis.auth_comp_id           SER 
_struct_mon_prot_cis.auth_seq_id            688 
_struct_mon_prot_cis.auth_asym_id           A 
_struct_mon_prot_cis.pdbx_label_comp_id_2   PRO 
_struct_mon_prot_cis.pdbx_label_seq_id_2    112 
_struct_mon_prot_cis.pdbx_label_asym_id_2   A 
_struct_mon_prot_cis.pdbx_PDB_ins_code_2    ? 
_struct_mon_prot_cis.pdbx_auth_comp_id_2    PRO 
_struct_mon_prot_cis.pdbx_auth_seq_id_2     689 
_struct_mon_prot_cis.pdbx_auth_asym_id_2    A 
_struct_mon_prot_cis.pdbx_PDB_model_num     1 
_struct_mon_prot_cis.pdbx_omega_angle       4.11 
# 
_struct_sheet.id               AA1 
_struct_sheet.type             ? 
_struct_sheet.number_strands   5 
_struct_sheet.details          ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? parallel 
AA1 2 3 ? parallel 
AA1 3 4 ? parallel 
AA1 4 5 ? parallel 
# 
loop_
_struct_sheet_range.sheet_id 
_struct_sheet_range.id 
_struct_sheet_range.beg_label_comp_id 
_struct_sheet_range.beg_label_asym_id 
_struct_sheet_range.beg_label_seq_id 
_struct_sheet_range.pdbx_beg_PDB_ins_code 
_struct_sheet_range.end_label_comp_id 
_struct_sheet_range.end_label_asym_id 
_struct_sheet_range.end_label_seq_id 
_struct_sheet_range.pdbx_end_PDB_ins_code 
_struct_sheet_range.beg_auth_comp_id 
_struct_sheet_range.beg_auth_asym_id 
_struct_sheet_range.beg_auth_seq_id 
_struct_sheet_range.end_auth_comp_id 
_struct_sheet_range.end_auth_asym_id 
_struct_sheet_range.end_auth_seq_id 
AA1 1 GLU A 108 ? CYS A 113 ? GLU A 685 CYS A 690 
AA1 2 THR A 70  ? THR A 77  ? THR A 647 THR A 654 
AA1 3 VAL A 41  ? GLY A 47  ? VAL A 618 GLY A 624 
AA1 4 TYR A 129 ? HIS A 132 ? TYR A 706 HIS A 709 
AA1 5 PHE A 155 ? ALA A 157 ? PHE A 750 ALA A 752 
# 
loop_
_pdbx_struct_sheet_hbond.sheet_id 
_pdbx_struct_sheet_hbond.range_id_1 
_pdbx_struct_sheet_hbond.range_id_2 
_pdbx_struct_sheet_hbond.range_1_label_atom_id 
_pdbx_struct_sheet_hbond.range_1_label_comp_id 
_pdbx_struct_sheet_hbond.range_1_label_asym_id 
_pdbx_struct_sheet_hbond.range_1_label_seq_id 
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id 
_pdbx_struct_sheet_hbond.range_2_label_atom_id 
_pdbx_struct_sheet_hbond.range_2_label_comp_id 
_pdbx_struct_sheet_hbond.range_2_label_asym_id 
_pdbx_struct_sheet_hbond.range_2_label_seq_id 
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id 
AA1 1 2 O ILE A 110 ? O ILE A 687 N VAL A 74  ? N VAL A 651 
AA1 2 3 O ILE A 73  ? O ILE A 650 N ILE A 43  ? N ILE A 620 
AA1 3 4 N TYR A 44  ? N TYR A 621 O ALA A 131 ? O ALA A 708 
AA1 4 5 N VAL A 130 ? N VAL A 707 O LYS A 156 ? O LYS A 751 
# 
_pdbx_entry_details.entry_id                   9HSM 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.has_protein_modification   N 
# 
_pdbx_validate_close_contact.id               1 
_pdbx_validate_close_contact.PDB_model_num    1 
_pdbx_validate_close_contact.auth_atom_id_1   OE1 
_pdbx_validate_close_contact.auth_asym_id_1   A 
_pdbx_validate_close_contact.auth_comp_id_1   GLU 
_pdbx_validate_close_contact.auth_seq_id_1    658 
_pdbx_validate_close_contact.PDB_ins_code_1   ? 
_pdbx_validate_close_contact.label_alt_id_1   ? 
_pdbx_validate_close_contact.auth_atom_id_2   O 
_pdbx_validate_close_contact.auth_asym_id_2   A 
_pdbx_validate_close_contact.auth_comp_id_2   HOH 
_pdbx_validate_close_contact.auth_seq_id_2    901 
_pdbx_validate_close_contact.PDB_ins_code_2   ? 
_pdbx_validate_close_contact.label_alt_id_2   ? 
_pdbx_validate_close_contact.dist             2.09 
# 
_pdbx_validate_torsion.id              1 
_pdbx_validate_torsion.PDB_model_num   1 
_pdbx_validate_torsion.auth_comp_id    ASN 
_pdbx_validate_torsion.auth_asym_id    A 
_pdbx_validate_torsion.auth_seq_id     771 
_pdbx_validate_torsion.PDB_ins_code    ? 
_pdbx_validate_torsion.label_alt_id    ? 
_pdbx_validate_torsion.phi             -68.67 
_pdbx_validate_torsion.psi             5.30 
# 
loop_
_space_group_symop.id 
_space_group_symop.operation_xyz 
1 x,y,z               
2 x,-y,-z             
3 -x,y,-z             
4 -x,-y,z             
5 x+1/2,y+1/2,z+1/2   
6 x+1/2,-y+1/2,-z+1/2 
7 -x+1/2,y+1/2,-z+1/2 
8 -x+1/2,-y+1/2,z+1/2 
# 
loop_
_pdbx_refine_tls.id 
_pdbx_refine_tls.pdbx_refine_id 
_pdbx_refine_tls.details 
_pdbx_refine_tls.method 
_pdbx_refine_tls.origin_x 
_pdbx_refine_tls.origin_y 
_pdbx_refine_tls.origin_z 
_pdbx_refine_tls.T[1][1] 
_pdbx_refine_tls.T[1][1]_esd 
_pdbx_refine_tls.T[1][2] 
_pdbx_refine_tls.T[1][2]_esd 
_pdbx_refine_tls.T[1][3] 
_pdbx_refine_tls.T[1][3]_esd 
_pdbx_refine_tls.T[2][2] 
_pdbx_refine_tls.T[2][2]_esd 
_pdbx_refine_tls.T[2][3] 
_pdbx_refine_tls.T[2][3]_esd 
_pdbx_refine_tls.T[3][3] 
_pdbx_refine_tls.T[3][3]_esd 
_pdbx_refine_tls.L[1][1] 
_pdbx_refine_tls.L[1][1]_esd 
_pdbx_refine_tls.L[1][2] 
_pdbx_refine_tls.L[1][2]_esd 
_pdbx_refine_tls.L[1][3] 
_pdbx_refine_tls.L[1][3]_esd 
_pdbx_refine_tls.L[2][2] 
_pdbx_refine_tls.L[2][2]_esd 
_pdbx_refine_tls.L[2][3] 
_pdbx_refine_tls.L[2][3]_esd 
_pdbx_refine_tls.L[3][3] 
_pdbx_refine_tls.L[3][3]_esd 
_pdbx_refine_tls.S[1][1] 
_pdbx_refine_tls.S[1][1]_esd 
_pdbx_refine_tls.S[1][2] 
_pdbx_refine_tls.S[1][2]_esd 
_pdbx_refine_tls.S[1][3] 
_pdbx_refine_tls.S[1][3]_esd 
_pdbx_refine_tls.S[2][1] 
_pdbx_refine_tls.S[2][1]_esd 
_pdbx_refine_tls.S[2][2] 
_pdbx_refine_tls.S[2][2]_esd 
_pdbx_refine_tls.S[2][3] 
_pdbx_refine_tls.S[2][3]_esd 
_pdbx_refine_tls.S[3][1] 
_pdbx_refine_tls.S[3][1]_esd 
_pdbx_refine_tls.S[3][2] 
_pdbx_refine_tls.S[3][2]_esd 
_pdbx_refine_tls.S[3][3] 
_pdbx_refine_tls.S[3][3]_esd 
1 'X-RAY DIFFRACTION' ? refined -2.22682064807 -22.2026187977 -22.1049326695 0.347614136474 ? 0.0101032150928  ? 0.0520047228584  
? 0.390727600516 ? -0.0317525487175 ? 0.314471864599 ? 5.32645708324 ? 0.482423812586 ? 1.49763826453 ? 5.05289530206 ? 
-0.973748451069 ? 1.97392890713 ? -0.0476712033857 ? -0.279881092227 ? 0.277789062237 ? 0.408794735907 ? -0.0972306255606 ? 
0.119438176883 ? -0.109240625222 ? 0.0439749713513 ? 0.14119623348   ? 
2 'X-RAY DIFFRACTION' ? refined -11.5385640676 -12.8309547347 -27.3845783575 0.441324784424 ? -0.0131849456655 ? -0.0307533153133 
? 0.446921326633 ? -0.018602790777  ? 0.403974393171 ? 2.68004640114 ? -1.99790229887 ? 1.18666686799 ? 5.22222991426 ? 
1.54341265607   ? 2.12173463644 ? 0.0634762153114  ? -0.471857142541 ? 0.597738174377 ? 0.379621896715 ? -0.182608744516  ? 
0.130922917143 ? -0.308247376106 ? -0.221103300479 ? 0.0742984200869 ? 
3 'X-RAY DIFFRACTION' ? refined -7.41589441609 -36.1480851553 -6.20164131228 0.79274046053  ? -0.0428613126646 ? 0.077658138051   
? 0.794043060797 ? -0.183194108377  ? 0.550989436646 ? 6.15134077202 ? -3.357516311   ? 5.92338825043 ? 2.67102291012 ? 
-2.17082521234  ? 7.03694675019 ? -0.260231481364  ? -1.3078631923   ? 0.82198587884  ? 0.115827217956 ? 0.234574998822   ? 
-0.29567157477 ? 0.6390447079    ? -1.30983527403  ? 0.0217766594251 ? 
# 
loop_
_pdbx_refine_tls_group.id 
_pdbx_refine_tls_group.pdbx_refine_id 
_pdbx_refine_tls_group.refine_tls_id 
_pdbx_refine_tls_group.beg_label_asym_id 
_pdbx_refine_tls_group.beg_label_seq_id 
_pdbx_refine_tls_group.beg_auth_asym_id 
_pdbx_refine_tls_group.beg_auth_seq_id 
_pdbx_refine_tls_group.beg_PDB_ins_code 
_pdbx_refine_tls_group.end_label_asym_id 
_pdbx_refine_tls_group.end_label_seq_id 
_pdbx_refine_tls_group.end_auth_asym_id 
_pdbx_refine_tls_group.end_auth_seq_id 
_pdbx_refine_tls_group.end_PDB_ins_code 
_pdbx_refine_tls_group.selection 
_pdbx_refine_tls_group.selection_details 
1 'X-RAY DIFFRACTION' 1 A 1   A 616 ? A 80  A 695 ? ? 
;chain 'A' and (resid 616 through 695 )
;
2 'X-RAY DIFFRACTION' 2 A 81  A 696 ? A 112 A 753 ? ? 
;chain 'A' and (resid 696 through 753 )
;
3 'X-RAY DIFFRACTION' 3 A 113 A 754 ? A 131 A 772 ? ? 
;chain 'A' and (resid 754 through 772 )
;
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
1  1 Y 1 A GLY 578 ? A GLY 1   
2  1 Y 1 A ALA 579 ? A ALA 2   
3  1 Y 1 A MET 580 ? A MET 3   
4  1 Y 1 A ALA 581 ? A ALA 4   
5  1 Y 1 A VAL 582 ? A VAL 5   
6  1 Y 1 A PRO 583 ? A PRO 6   
7  1 Y 1 A ASP 584 ? A ASP 7   
8  1 Y 1 A ASP 585 ? A ASP 8   
9  1 Y 1 A ASP 586 ? A ASP 9   
10 1 Y 1 A ASP 587 ? A ASP 10  
11 1 Y 1 A ASP 588 ? A ASP 11  
12 1 Y 1 A ASP 589 ? A ASP 12  
13 1 Y 1 A ASP 590 ? A ASP 13  
14 1 Y 1 A ASN 591 ? A ASN 14  
15 1 Y 1 A SER 592 ? A SER 15  
16 1 Y 1 A ASN 593 ? A ASN 16  
17 1 Y 1 A ASP 594 ? A ASP 17  
18 1 Y 1 A GLU 595 ? A GLU 18  
19 1 Y 1 A SER 596 ? A SER 19  
20 1 Y 1 A GLU 597 ? A GLU 20  
21 1 Y 1 A TYR 598 ? A TYR 21  
22 1 Y 1 A GLU 599 ? A GLU 22  
23 1 Y 1 A SER 600 ? A SER 23  
24 1 Y 1 A SER 601 ? A SER 24  
25 1 Y 1 A GLN 602 ? A GLN 25  
26 1 Y 1 A MET 603 ? A MET 26  
27 1 Y 1 A ASP 604 ? A ASP 27  
28 1 Y 1 A SER 605 ? A SER 28  
29 1 Y 1 A GLU 606 ? A GLU 29  
30 1 Y 1 A LYS 607 ? A LYS 30  
31 1 Y 1 A ASN 608 ? A ASN 31  
32 1 Y 1 A LYS 609 ? A LYS 32  
33 1 Y 1 A GLY 610 ? A GLY 33  
34 1 Y 1 A SER 611 ? A SER 34  
35 1 Y 1 A ILE 612 ? A ILE 35  
36 1 Y 1 A LYS 613 ? A LYS 36  
37 1 Y 1 A ASN 614 ? A ASN 37  
38 1 Y 1 A SER 615 ? A SER 38  
39 1 Y 1 A PRO 731 ? A PRO 136 
40 1 Y 1 A TYR 732 ? A TYR 137 
41 1 Y 1 A ALA 733 ? A ALA 138 
42 1 Y 1 A ASN 734 ? A ASN 139 
43 1 Y 1 A ASN 735 ? A ASN 140 
44 1 Y 1 A GLN 736 ? A GLN 141 
45 1 Y 1 A LYS 737 ? A LYS 142 
46 1 Y 1 A GLU 738 ? A GLU 143 
47 1 Y 1 A GLU 773 ? A GLU 178 
48 1 Y 1 A ASP 774 ? A ASP 179 
# 
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 
A1IWW C01  C N N 1   
A1IWW C02  C N N 2   
A1IWW C03  C N N 3   
A1IWW C07  C N N 4   
A1IWW N04  N N N 5   
A1IWW N06  N N N 6   
A1IWW O05  O N N 7   
A1IWW H012 H N N 8   
A1IWW H011 H N N 9   
A1IWW H013 H N N 10  
A1IWW H021 H N N 11  
A1IWW H072 H N N 12  
A1IWW H071 H N N 13  
A1IWW H073 H N N 14  
A1IWW H062 H N N 15  
A1IWW H061 H N N 16  
A1IWW H051 H N N 17  
ALA   N    N N N 18  
ALA   CA   C N S 19  
ALA   C    C N N 20  
ALA   O    O N N 21  
ALA   CB   C N N 22  
ALA   OXT  O N N 23  
ALA   H    H N N 24  
ALA   H2   H N N 25  
ALA   HA   H N N 26  
ALA   HB1  H N N 27  
ALA   HB2  H N N 28  
ALA   HB3  H N N 29  
ALA   HXT  H N N 30  
ARG   N    N N N 31  
ARG   CA   C N S 32  
ARG   C    C N N 33  
ARG   O    O N N 34  
ARG   CB   C N N 35  
ARG   CG   C N N 36  
ARG   CD   C N N 37  
ARG   NE   N N N 38  
ARG   CZ   C N N 39  
ARG   NH1  N N N 40  
ARG   NH2  N N N 41  
ARG   OXT  O N N 42  
ARG   H    H N N 43  
ARG   H2   H N N 44  
ARG   HA   H N N 45  
ARG   HB2  H N N 46  
ARG   HB3  H N N 47  
ARG   HG2  H N N 48  
ARG   HG3  H N N 49  
ARG   HD2  H N N 50  
ARG   HD3  H N N 51  
ARG   HE   H N N 52  
ARG   HH11 H N N 53  
ARG   HH12 H N N 54  
ARG   HH21 H N N 55  
ARG   HH22 H N N 56  
ARG   HXT  H N N 57  
ASN   N    N N N 58  
ASN   CA   C N S 59  
ASN   C    C N N 60  
ASN   O    O N N 61  
ASN   CB   C N N 62  
ASN   CG   C N N 63  
ASN   OD1  O N N 64  
ASN   ND2  N N N 65  
ASN   OXT  O N N 66  
ASN   H    H N N 67  
ASN   H2   H N N 68  
ASN   HA   H N N 69  
ASN   HB2  H N N 70  
ASN   HB3  H N N 71  
ASN   HD21 H N N 72  
ASN   HD22 H N N 73  
ASN   HXT  H N N 74  
ASP   N    N N N 75  
ASP   CA   C N S 76  
ASP   C    C N N 77  
ASP   O    O N N 78  
ASP   CB   C N N 79  
ASP   CG   C N N 80  
ASP   OD1  O N N 81  
ASP   OD2  O N N 82  
ASP   OXT  O N N 83  
ASP   H    H N N 84  
ASP   H2   H N N 85  
ASP   HA   H N N 86  
ASP   HB2  H N N 87  
ASP   HB3  H N N 88  
ASP   HD2  H N N 89  
ASP   HXT  H N N 90  
BME   C1   C N N 91  
BME   C2   C N N 92  
BME   O1   O N N 93  
BME   S2   S N N 94  
BME   H11  H N N 95  
BME   H12  H N N 96  
BME   H21  H N N 97  
BME   H22  H N N 98  
BME   HO1  H N N 99  
BME   HS2  H N N 100 
CYS   N    N N N 101 
CYS   CA   C N R 102 
CYS   C    C N N 103 
CYS   O    O N N 104 
CYS   CB   C N N 105 
CYS   SG   S N N 106 
CYS   OXT  O N N 107 
CYS   H    H N N 108 
CYS   H2   H N N 109 
CYS   HA   H N N 110 
CYS   HB2  H N N 111 
CYS   HB3  H N N 112 
CYS   HG   H N N 113 
CYS   HXT  H N N 114 
GLN   N    N N N 115 
GLN   CA   C N S 116 
GLN   C    C N N 117 
GLN   O    O N N 118 
GLN   CB   C N N 119 
GLN   CG   C N N 120 
GLN   CD   C N N 121 
GLN   OE1  O N N 122 
GLN   NE2  N N N 123 
GLN   OXT  O N N 124 
GLN   H    H N N 125 
GLN   H2   H N N 126 
GLN   HA   H N N 127 
GLN   HB2  H N N 128 
GLN   HB3  H N N 129 
GLN   HG2  H N N 130 
GLN   HG3  H N N 131 
GLN   HE21 H N N 132 
GLN   HE22 H N N 133 
GLN   HXT  H N N 134 
GLU   N    N N N 135 
GLU   CA   C N S 136 
GLU   C    C N N 137 
GLU   O    O N N 138 
GLU   CB   C N N 139 
GLU   CG   C N N 140 
GLU   CD   C N N 141 
GLU   OE1  O N N 142 
GLU   OE2  O N N 143 
GLU   OXT  O N N 144 
GLU   H    H N N 145 
GLU   H2   H N N 146 
GLU   HA   H N N 147 
GLU   HB2  H N N 148 
GLU   HB3  H N N 149 
GLU   HG2  H N N 150 
GLU   HG3  H N N 151 
GLU   HE2  H N N 152 
GLU   HXT  H N N 153 
GLY   N    N N N 154 
GLY   CA   C N N 155 
GLY   C    C N N 156 
GLY   O    O N N 157 
GLY   OXT  O N N 158 
GLY   H    H N N 159 
GLY   H2   H N N 160 
GLY   HA2  H N N 161 
GLY   HA3  H N N 162 
GLY   HXT  H N N 163 
HIS   N    N N N 164 
HIS   CA   C N S 165 
HIS   C    C N N 166 
HIS   O    O N N 167 
HIS   CB   C N N 168 
HIS   CG   C Y N 169 
HIS   ND1  N Y N 170 
HIS   CD2  C Y N 171 
HIS   CE1  C Y N 172 
HIS   NE2  N Y N 173 
HIS   OXT  O N N 174 
HIS   H    H N N 175 
HIS   H2   H N N 176 
HIS   HA   H N N 177 
HIS   HB2  H N N 178 
HIS   HB3  H N N 179 
HIS   HD1  H N N 180 
HIS   HD2  H N N 181 
HIS   HE1  H N N 182 
HIS   HE2  H N N 183 
HIS   HXT  H N N 184 
HOH   O    O N N 185 
HOH   H1   H N N 186 
HOH   H2   H N N 187 
ILE   N    N N N 188 
ILE   CA   C N S 189 
ILE   C    C N N 190 
ILE   O    O N N 191 
ILE   CB   C N S 192 
ILE   CG1  C N N 193 
ILE   CG2  C N N 194 
ILE   CD1  C N N 195 
ILE   OXT  O N N 196 
ILE   H    H N N 197 
ILE   H2   H N N 198 
ILE   HA   H N N 199 
ILE   HB   H N N 200 
ILE   HG12 H N N 201 
ILE   HG13 H N N 202 
ILE   HG21 H N N 203 
ILE   HG22 H N N 204 
ILE   HG23 H N N 205 
ILE   HD11 H N N 206 
ILE   HD12 H N N 207 
ILE   HD13 H N N 208 
ILE   HXT  H N N 209 
LEU   N    N N N 210 
LEU   CA   C N S 211 
LEU   C    C N N 212 
LEU   O    O N N 213 
LEU   CB   C N N 214 
LEU   CG   C N N 215 
LEU   CD1  C N N 216 
LEU   CD2  C N N 217 
LEU   OXT  O N N 218 
LEU   H    H N N 219 
LEU   H2   H N N 220 
LEU   HA   H N N 221 
LEU   HB2  H N N 222 
LEU   HB3  H N N 223 
LEU   HG   H N N 224 
LEU   HD11 H N N 225 
LEU   HD12 H N N 226 
LEU   HD13 H N N 227 
LEU   HD21 H N N 228 
LEU   HD22 H N N 229 
LEU   HD23 H N N 230 
LEU   HXT  H N N 231 
LYS   N    N N N 232 
LYS   CA   C N S 233 
LYS   C    C N N 234 
LYS   O    O N N 235 
LYS   CB   C N N 236 
LYS   CG   C N N 237 
LYS   CD   C N N 238 
LYS   CE   C N N 239 
LYS   NZ   N N N 240 
LYS   OXT  O N N 241 
LYS   H    H N N 242 
LYS   H2   H N N 243 
LYS   HA   H N N 244 
LYS   HB2  H N N 245 
LYS   HB3  H N N 246 
LYS   HG2  H N N 247 
LYS   HG3  H N N 248 
LYS   HD2  H N N 249 
LYS   HD3  H N N 250 
LYS   HE2  H N N 251 
LYS   HE3  H N N 252 
LYS   HZ1  H N N 253 
LYS   HZ2  H N N 254 
LYS   HZ3  H N N 255 
LYS   HXT  H N N 256 
MET   N    N N N 257 
MET   CA   C N S 258 
MET   C    C N N 259 
MET   O    O N N 260 
MET   CB   C N N 261 
MET   CG   C N N 262 
MET   SD   S N N 263 
MET   CE   C N N 264 
MET   OXT  O N N 265 
MET   H    H N N 266 
MET   H2   H N N 267 
MET   HA   H N N 268 
MET   HB2  H N N 269 
MET   HB3  H N N 270 
MET   HG2  H N N 271 
MET   HG3  H N N 272 
MET   HE1  H N N 273 
MET   HE2  H N N 274 
MET   HE3  H N N 275 
MET   HXT  H N N 276 
PHE   N    N N N 277 
PHE   CA   C N S 278 
PHE   C    C N N 279 
PHE   O    O N N 280 
PHE   CB   C N N 281 
PHE   CG   C Y N 282 
PHE   CD1  C Y N 283 
PHE   CD2  C Y N 284 
PHE   CE1  C Y N 285 
PHE   CE2  C Y N 286 
PHE   CZ   C Y N 287 
PHE   OXT  O N N 288 
PHE   H    H N N 289 
PHE   H2   H N N 290 
PHE   HA   H N N 291 
PHE   HB2  H N N 292 
PHE   HB3  H N N 293 
PHE   HD1  H N N 294 
PHE   HD2  H N N 295 
PHE   HE1  H N N 296 
PHE   HE2  H N N 297 
PHE   HZ   H N N 298 
PHE   HXT  H N N 299 
PRO   N    N N N 300 
PRO   CA   C N S 301 
PRO   C    C N N 302 
PRO   O    O N N 303 
PRO   CB   C N N 304 
PRO   CG   C N N 305 
PRO   CD   C N N 306 
PRO   OXT  O N N 307 
PRO   H    H N N 308 
PRO   HA   H N N 309 
PRO   HB2  H N N 310 
PRO   HB3  H N N 311 
PRO   HG2  H N N 312 
PRO   HG3  H N N 313 
PRO   HD2  H N N 314 
PRO   HD3  H N N 315 
PRO   HXT  H N N 316 
SER   N    N N N 317 
SER   CA   C N S 318 
SER   C    C N N 319 
SER   O    O N N 320 
SER   CB   C N N 321 
SER   OG   O N N 322 
SER   OXT  O N N 323 
SER   H    H N N 324 
SER   H2   H N N 325 
SER   HA   H N N 326 
SER   HB2  H N N 327 
SER   HB3  H N N 328 
SER   HG   H N N 329 
SER   HXT  H N N 330 
THR   N    N N N 331 
THR   CA   C N S 332 
THR   C    C N N 333 
THR   O    O N N 334 
THR   CB   C N R 335 
THR   OG1  O N N 336 
THR   CG2  C N N 337 
THR   OXT  O N N 338 
THR   H    H N N 339 
THR   H2   H N N 340 
THR   HA   H N N 341 
THR   HB   H N N 342 
THR   HG1  H N N 343 
THR   HG21 H N N 344 
THR   HG22 H N N 345 
THR   HG23 H N N 346 
THR   HXT  H N N 347 
TRP   N    N N N 348 
TRP   CA   C N S 349 
TRP   C    C N N 350 
TRP   O    O N N 351 
TRP   CB   C N N 352 
TRP   CG   C Y N 353 
TRP   CD1  C Y N 354 
TRP   CD2  C Y N 355 
TRP   NE1  N Y N 356 
TRP   CE2  C Y N 357 
TRP   CE3  C Y N 358 
TRP   CZ2  C Y N 359 
TRP   CZ3  C Y N 360 
TRP   CH2  C Y N 361 
TRP   OXT  O N N 362 
TRP   H    H N N 363 
TRP   H2   H N N 364 
TRP   HA   H N N 365 
TRP   HB2  H N N 366 
TRP   HB3  H N N 367 
TRP   HD1  H N N 368 
TRP   HE1  H N N 369 
TRP   HE3  H N N 370 
TRP   HZ2  H N N 371 
TRP   HZ3  H N N 372 
TRP   HH2  H N N 373 
TRP   HXT  H N N 374 
TYR   N    N N N 375 
TYR   CA   C N S 376 
TYR   C    C N N 377 
TYR   O    O N N 378 
TYR   CB   C N N 379 
TYR   CG   C Y N 380 
TYR   CD1  C Y N 381 
TYR   CD2  C Y N 382 
TYR   CE1  C Y N 383 
TYR   CE2  C Y N 384 
TYR   CZ   C Y N 385 
TYR   OH   O N N 386 
TYR   OXT  O N N 387 
TYR   H    H N N 388 
TYR   H2   H N N 389 
TYR   HA   H N N 390 
TYR   HB2  H N N 391 
TYR   HB3  H N N 392 
TYR   HD1  H N N 393 
TYR   HD2  H N N 394 
TYR   HE1  H N N 395 
TYR   HE2  H N N 396 
TYR   HH   H N N 397 
TYR   HXT  H N N 398 
VAL   N    N N N 399 
VAL   CA   C N S 400 
VAL   C    C N N 401 
VAL   O    O N N 402 
VAL   CB   C N N 403 
VAL   CG1  C N N 404 
VAL   CG2  C N N 405 
VAL   OXT  O N N 406 
VAL   H    H N N 407 
VAL   H2   H N N 408 
VAL   HA   H N N 409 
VAL   HB   H N N 410 
VAL   HG11 H N N 411 
VAL   HG12 H N N 412 
VAL   HG13 H N N 413 
VAL   HG21 H N N 414 
VAL   HG22 H N N 415 
VAL   HG23 H N N 416 
VAL   HXT  H N N 417 
# 
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 
A1IWW C02 C01  sing N N 1   
A1IWW O05 N04  sing N N 2   
A1IWW N04 C03  doub N Z 3   
A1IWW N06 C03  sing N N 4   
A1IWW C03 C02  sing N N 5   
A1IWW C07 C02  sing N N 6   
A1IWW C01 H012 sing N N 7   
A1IWW C01 H011 sing N N 8   
A1IWW C01 H013 sing N N 9   
A1IWW C02 H021 sing N N 10  
A1IWW C07 H072 sing N N 11  
A1IWW C07 H071 sing N N 12  
A1IWW C07 H073 sing N N 13  
A1IWW N06 H062 sing N N 14  
A1IWW N06 H061 sing N N 15  
A1IWW O05 H051 sing N N 16  
ALA   N   CA   sing N N 17  
ALA   N   H    sing N N 18  
ALA   N   H2   sing N N 19  
ALA   CA  C    sing N N 20  
ALA   CA  CB   sing N N 21  
ALA   CA  HA   sing N N 22  
ALA   C   O    doub N N 23  
ALA   C   OXT  sing N N 24  
ALA   CB  HB1  sing N N 25  
ALA   CB  HB2  sing N N 26  
ALA   CB  HB3  sing N N 27  
ALA   OXT HXT  sing N N 28  
ARG   N   CA   sing N N 29  
ARG   N   H    sing N N 30  
ARG   N   H2   sing N N 31  
ARG   CA  C    sing N N 32  
ARG   CA  CB   sing N N 33  
ARG   CA  HA   sing N N 34  
ARG   C   O    doub N N 35  
ARG   C   OXT  sing N N 36  
ARG   CB  CG   sing N N 37  
ARG   CB  HB2  sing N N 38  
ARG   CB  HB3  sing N N 39  
ARG   CG  CD   sing N N 40  
ARG   CG  HG2  sing N N 41  
ARG   CG  HG3  sing N N 42  
ARG   CD  NE   sing N N 43  
ARG   CD  HD2  sing N N 44  
ARG   CD  HD3  sing N N 45  
ARG   NE  CZ   sing N N 46  
ARG   NE  HE   sing N N 47  
ARG   CZ  NH1  sing N N 48  
ARG   CZ  NH2  doub N N 49  
ARG   NH1 HH11 sing N N 50  
ARG   NH1 HH12 sing N N 51  
ARG   NH2 HH21 sing N N 52  
ARG   NH2 HH22 sing N N 53  
ARG   OXT HXT  sing N N 54  
ASN   N   CA   sing N N 55  
ASN   N   H    sing N N 56  
ASN   N   H2   sing N N 57  
ASN   CA  C    sing N N 58  
ASN   CA  CB   sing N N 59  
ASN   CA  HA   sing N N 60  
ASN   C   O    doub N N 61  
ASN   C   OXT  sing N N 62  
ASN   CB  CG   sing N N 63  
ASN   CB  HB2  sing N N 64  
ASN   CB  HB3  sing N N 65  
ASN   CG  OD1  doub N N 66  
ASN   CG  ND2  sing N N 67  
ASN   ND2 HD21 sing N N 68  
ASN   ND2 HD22 sing N N 69  
ASN   OXT HXT  sing N N 70  
ASP   N   CA   sing N N 71  
ASP   N   H    sing N N 72  
ASP   N   H2   sing N N 73  
ASP   CA  C    sing N N 74  
ASP   CA  CB   sing N N 75  
ASP   CA  HA   sing N N 76  
ASP   C   O    doub N N 77  
ASP   C   OXT  sing N N 78  
ASP   CB  CG   sing N N 79  
ASP   CB  HB2  sing N N 80  
ASP   CB  HB3  sing N N 81  
ASP   CG  OD1  doub N N 82  
ASP   CG  OD2  sing N N 83  
ASP   OD2 HD2  sing N N 84  
ASP   OXT HXT  sing N N 85  
BME   C1  C2   sing N N 86  
BME   C1  O1   sing N N 87  
BME   C1  H11  sing N N 88  
BME   C1  H12  sing N N 89  
BME   C2  S2   sing N N 90  
BME   C2  H21  sing N N 91  
BME   C2  H22  sing N N 92  
BME   O1  HO1  sing N N 93  
BME   S2  HS2  sing N N 94  
CYS   N   CA   sing N N 95  
CYS   N   H    sing N N 96  
CYS   N   H2   sing N N 97  
CYS   CA  C    sing N N 98  
CYS   CA  CB   sing N N 99  
CYS   CA  HA   sing N N 100 
CYS   C   O    doub N N 101 
CYS   C   OXT  sing N N 102 
CYS   CB  SG   sing N N 103 
CYS   CB  HB2  sing N N 104 
CYS   CB  HB3  sing N N 105 
CYS   SG  HG   sing N N 106 
CYS   OXT HXT  sing N N 107 
GLN   N   CA   sing N N 108 
GLN   N   H    sing N N 109 
GLN   N   H2   sing N N 110 
GLN   CA  C    sing N N 111 
GLN   CA  CB   sing N N 112 
GLN   CA  HA   sing N N 113 
GLN   C   O    doub N N 114 
GLN   C   OXT  sing N N 115 
GLN   CB  CG   sing N N 116 
GLN   CB  HB2  sing N N 117 
GLN   CB  HB3  sing N N 118 
GLN   CG  CD   sing N N 119 
GLN   CG  HG2  sing N N 120 
GLN   CG  HG3  sing N N 121 
GLN   CD  OE1  doub N N 122 
GLN   CD  NE2  sing N N 123 
GLN   NE2 HE21 sing N N 124 
GLN   NE2 HE22 sing N N 125 
GLN   OXT HXT  sing N N 126 
GLU   N   CA   sing N N 127 
GLU   N   H    sing N N 128 
GLU   N   H2   sing N N 129 
GLU   CA  C    sing N N 130 
GLU   CA  CB   sing N N 131 
GLU   CA  HA   sing N N 132 
GLU   C   O    doub N N 133 
GLU   C   OXT  sing N N 134 
GLU   CB  CG   sing N N 135 
GLU   CB  HB2  sing N N 136 
GLU   CB  HB3  sing N N 137 
GLU   CG  CD   sing N N 138 
GLU   CG  HG2  sing N N 139 
GLU   CG  HG3  sing N N 140 
GLU   CD  OE1  doub N N 141 
GLU   CD  OE2  sing N N 142 
GLU   OE2 HE2  sing N N 143 
GLU   OXT HXT  sing N N 144 
GLY   N   CA   sing N N 145 
GLY   N   H    sing N N 146 
GLY   N   H2   sing N N 147 
GLY   CA  C    sing N N 148 
GLY   CA  HA2  sing N N 149 
GLY   CA  HA3  sing N N 150 
GLY   C   O    doub N N 151 
GLY   C   OXT  sing N N 152 
GLY   OXT HXT  sing N N 153 
HIS   N   CA   sing N N 154 
HIS   N   H    sing N N 155 
HIS   N   H2   sing N N 156 
HIS   CA  C    sing N N 157 
HIS   CA  CB   sing N N 158 
HIS   CA  HA   sing N N 159 
HIS   C   O    doub N N 160 
HIS   C   OXT  sing N N 161 
HIS   CB  CG   sing N N 162 
HIS   CB  HB2  sing N N 163 
HIS   CB  HB3  sing N N 164 
HIS   CG  ND1  sing Y N 165 
HIS   CG  CD2  doub Y N 166 
HIS   ND1 CE1  doub Y N 167 
HIS   ND1 HD1  sing N N 168 
HIS   CD2 NE2  sing Y N 169 
HIS   CD2 HD2  sing N N 170 
HIS   CE1 NE2  sing Y N 171 
HIS   CE1 HE1  sing N N 172 
HIS   NE2 HE2  sing N N 173 
HIS   OXT HXT  sing N N 174 
HOH   O   H1   sing N N 175 
HOH   O   H2   sing N N 176 
ILE   N   CA   sing N N 177 
ILE   N   H    sing N N 178 
ILE   N   H2   sing N N 179 
ILE   CA  C    sing N N 180 
ILE   CA  CB   sing N N 181 
ILE   CA  HA   sing N N 182 
ILE   C   O    doub N N 183 
ILE   C   OXT  sing N N 184 
ILE   CB  CG1  sing N N 185 
ILE   CB  CG2  sing N N 186 
ILE   CB  HB   sing N N 187 
ILE   CG1 CD1  sing N N 188 
ILE   CG1 HG12 sing N N 189 
ILE   CG1 HG13 sing N N 190 
ILE   CG2 HG21 sing N N 191 
ILE   CG2 HG22 sing N N 192 
ILE   CG2 HG23 sing N N 193 
ILE   CD1 HD11 sing N N 194 
ILE   CD1 HD12 sing N N 195 
ILE   CD1 HD13 sing N N 196 
ILE   OXT HXT  sing N N 197 
LEU   N   CA   sing N N 198 
LEU   N   H    sing N N 199 
LEU   N   H2   sing N N 200 
LEU   CA  C    sing N N 201 
LEU   CA  CB   sing N N 202 
LEU   CA  HA   sing N N 203 
LEU   C   O    doub N N 204 
LEU   C   OXT  sing N N 205 
LEU   CB  CG   sing N N 206 
LEU   CB  HB2  sing N N 207 
LEU   CB  HB3  sing N N 208 
LEU   CG  CD1  sing N N 209 
LEU   CG  CD2  sing N N 210 
LEU   CG  HG   sing N N 211 
LEU   CD1 HD11 sing N N 212 
LEU   CD1 HD12 sing N N 213 
LEU   CD1 HD13 sing N N 214 
LEU   CD2 HD21 sing N N 215 
LEU   CD2 HD22 sing N N 216 
LEU   CD2 HD23 sing N N 217 
LEU   OXT HXT  sing N N 218 
LYS   N   CA   sing N N 219 
LYS   N   H    sing N N 220 
LYS   N   H2   sing N N 221 
LYS   CA  C    sing N N 222 
LYS   CA  CB   sing N N 223 
LYS   CA  HA   sing N N 224 
LYS   C   O    doub N N 225 
LYS   C   OXT  sing N N 226 
LYS   CB  CG   sing N N 227 
LYS   CB  HB2  sing N N 228 
LYS   CB  HB3  sing N N 229 
LYS   CG  CD   sing N N 230 
LYS   CG  HG2  sing N N 231 
LYS   CG  HG3  sing N N 232 
LYS   CD  CE   sing N N 233 
LYS   CD  HD2  sing N N 234 
LYS   CD  HD3  sing N N 235 
LYS   CE  NZ   sing N N 236 
LYS   CE  HE2  sing N N 237 
LYS   CE  HE3  sing N N 238 
LYS   NZ  HZ1  sing N N 239 
LYS   NZ  HZ2  sing N N 240 
LYS   NZ  HZ3  sing N N 241 
LYS   OXT HXT  sing N N 242 
MET   N   CA   sing N N 243 
MET   N   H    sing N N 244 
MET   N   H2   sing N N 245 
MET   CA  C    sing N N 246 
MET   CA  CB   sing N N 247 
MET   CA  HA   sing N N 248 
MET   C   O    doub N N 249 
MET   C   OXT  sing N N 250 
MET   CB  CG   sing N N 251 
MET   CB  HB2  sing N N 252 
MET   CB  HB3  sing N N 253 
MET   CG  SD   sing N N 254 
MET   CG  HG2  sing N N 255 
MET   CG  HG3  sing N N 256 
MET   SD  CE   sing N N 257 
MET   CE  HE1  sing N N 258 
MET   CE  HE2  sing N N 259 
MET   CE  HE3  sing N N 260 
MET   OXT HXT  sing N N 261 
PHE   N   CA   sing N N 262 
PHE   N   H    sing N N 263 
PHE   N   H2   sing N N 264 
PHE   CA  C    sing N N 265 
PHE   CA  CB   sing N N 266 
PHE   CA  HA   sing N N 267 
PHE   C   O    doub N N 268 
PHE   C   OXT  sing N N 269 
PHE   CB  CG   sing N N 270 
PHE   CB  HB2  sing N N 271 
PHE   CB  HB3  sing N N 272 
PHE   CG  CD1  doub Y N 273 
PHE   CG  CD2  sing Y N 274 
PHE   CD1 CE1  sing Y N 275 
PHE   CD1 HD1  sing N N 276 
PHE   CD2 CE2  doub Y N 277 
PHE   CD2 HD2  sing N N 278 
PHE   CE1 CZ   doub Y N 279 
PHE   CE1 HE1  sing N N 280 
PHE   CE2 CZ   sing Y N 281 
PHE   CE2 HE2  sing N N 282 
PHE   CZ  HZ   sing N N 283 
PHE   OXT HXT  sing N N 284 
PRO   N   CA   sing N N 285 
PRO   N   CD   sing N N 286 
PRO   N   H    sing N N 287 
PRO   CA  C    sing N N 288 
PRO   CA  CB   sing N N 289 
PRO   CA  HA   sing N N 290 
PRO   C   O    doub N N 291 
PRO   C   OXT  sing N N 292 
PRO   CB  CG   sing N N 293 
PRO   CB  HB2  sing N N 294 
PRO   CB  HB3  sing N N 295 
PRO   CG  CD   sing N N 296 
PRO   CG  HG2  sing N N 297 
PRO   CG  HG3  sing N N 298 
PRO   CD  HD2  sing N N 299 
PRO   CD  HD3  sing N N 300 
PRO   OXT HXT  sing N N 301 
SER   N   CA   sing N N 302 
SER   N   H    sing N N 303 
SER   N   H2   sing N N 304 
SER   CA  C    sing N N 305 
SER   CA  CB   sing N N 306 
SER   CA  HA   sing N N 307 
SER   C   O    doub N N 308 
SER   C   OXT  sing N N 309 
SER   CB  OG   sing N N 310 
SER   CB  HB2  sing N N 311 
SER   CB  HB3  sing N N 312 
SER   OG  HG   sing N N 313 
SER   OXT HXT  sing N N 314 
THR   N   CA   sing N N 315 
THR   N   H    sing N N 316 
THR   N   H2   sing N N 317 
THR   CA  C    sing N N 318 
THR   CA  CB   sing N N 319 
THR   CA  HA   sing N N 320 
THR   C   O    doub N N 321 
THR   C   OXT  sing N N 322 
THR   CB  OG1  sing N N 323 
THR   CB  CG2  sing N N 324 
THR   CB  HB   sing N N 325 
THR   OG1 HG1  sing N N 326 
THR   CG2 HG21 sing N N 327 
THR   CG2 HG22 sing N N 328 
THR   CG2 HG23 sing N N 329 
THR   OXT HXT  sing N N 330 
TRP   N   CA   sing N N 331 
TRP   N   H    sing N N 332 
TRP   N   H2   sing N N 333 
TRP   CA  C    sing N N 334 
TRP   CA  CB   sing N N 335 
TRP   CA  HA   sing N N 336 
TRP   C   O    doub N N 337 
TRP   C   OXT  sing N N 338 
TRP   CB  CG   sing N N 339 
TRP   CB  HB2  sing N N 340 
TRP   CB  HB3  sing N N 341 
TRP   CG  CD1  doub Y N 342 
TRP   CG  CD2  sing Y N 343 
TRP   CD1 NE1  sing Y N 344 
TRP   CD1 HD1  sing N N 345 
TRP   CD2 CE2  doub Y N 346 
TRP   CD2 CE3  sing Y N 347 
TRP   NE1 CE2  sing Y N 348 
TRP   NE1 HE1  sing N N 349 
TRP   CE2 CZ2  sing Y N 350 
TRP   CE3 CZ3  doub Y N 351 
TRP   CE3 HE3  sing N N 352 
TRP   CZ2 CH2  doub Y N 353 
TRP   CZ2 HZ2  sing N N 354 
TRP   CZ3 CH2  sing Y N 355 
TRP   CZ3 HZ3  sing N N 356 
TRP   CH2 HH2  sing N N 357 
TRP   OXT HXT  sing N N 358 
TYR   N   CA   sing N N 359 
TYR   N   H    sing N N 360 
TYR   N   H2   sing N N 361 
TYR   CA  C    sing N N 362 
TYR   CA  CB   sing N N 363 
TYR   CA  HA   sing N N 364 
TYR   C   O    doub N N 365 
TYR   C   OXT  sing N N 366 
TYR   CB  CG   sing N N 367 
TYR   CB  HB2  sing N N 368 
TYR   CB  HB3  sing N N 369 
TYR   CG  CD1  doub Y N 370 
TYR   CG  CD2  sing Y N 371 
TYR   CD1 CE1  sing Y N 372 
TYR   CD1 HD1  sing N N 373 
TYR   CD2 CE2  doub Y N 374 
TYR   CD2 HD2  sing N N 375 
TYR   CE1 CZ   doub Y N 376 
TYR   CE1 HE1  sing N N 377 
TYR   CE2 CZ   sing Y N 378 
TYR   CE2 HE2  sing N N 379 
TYR   CZ  OH   sing N N 380 
TYR   OH  HH   sing N N 381 
TYR   OXT HXT  sing N N 382 
VAL   N   CA   sing N N 383 
VAL   N   H    sing N N 384 
VAL   N   H2   sing N N 385 
VAL   CA  C    sing N N 386 
VAL   CA  CB   sing N N 387 
VAL   CA  HA   sing N N 388 
VAL   C   O    doub N N 389 
VAL   C   OXT  sing N N 390 
VAL   CB  CG1  sing N N 391 
VAL   CB  CG2  sing N N 392 
VAL   CB  HB   sing N N 393 
VAL   CG1 HG11 sing N N 394 
VAL   CG1 HG12 sing N N 395 
VAL   CG1 HG13 sing N N 396 
VAL   CG2 HG21 sing N N 397 
VAL   CG2 HG22 sing N N 398 
VAL   CG2 HG23 sing N N 399 
VAL   OXT HXT  sing N N 400 
# 
_pdbx_audit_support.funding_organization   'Agence Nationale de la Recherche (ANR)' 
_pdbx_audit_support.country                France 
_pdbx_audit_support.grant_number           ANR-20-CE44-0012 
_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   4ZCS 
_pdbx_initial_refinement_model.details          ? 
# 
_space_group.name_H-M_alt     'I 2 2 2' 
_space_group.name_Hall        'I 2 2' 
_space_group.IT_number        23 
_space_group.crystal_system   orthorhombic 
_space_group.id               1 
# 
_atom_sites.entry_id                    9HSM 
_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]   0.019951 
_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]   0.014810 
_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]   0.008532 
_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.
;
? 
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   . LYS   A 1 39  ? -9.78054  -21.08458 -44.16160 1.000 76.09229  ? 616 LYS   A N   1 
ATOM   2    C CA  . LYS   A 1 39  ? -10.35673 -22.26226 -43.53008 1.000 74.46110  ? 616 LYS   A CA  1 
ATOM   3    C C   . LYS   A 1 39  ? -9.74065  -22.46224 -42.14974 1.000 69.81653  ? 616 LYS   A C   1 
ATOM   4    O O   . LYS   A 1 39  ? -10.45024 -22.77744 -41.19953 1.000 69.62041  ? 616 LYS   A O   1 
ATOM   5    C CB  . LYS   A 1 39  ? -10.14893 -23.50471 -44.39929 1.000 75.49360  ? 616 LYS   A CB  1 
ATOM   6    C CG  . LYS   A 1 39  ? -10.99299 -24.69018 -43.98411 1.000 74.91112  ? 616 LYS   A CG  1 
ATOM   7    C CD  . LYS   A 1 39  ? -12.46660 -24.44073 -44.27711 1.000 76.99238  ? 616 LYS   A CD  1 
ATOM   8    C CE  . LYS   A 1 39  ? -13.32309 -25.63128 -43.85883 1.000 77.16375  ? 616 LYS   A CE  1 
ATOM   9    N NZ  . LYS   A 1 39  ? -13.23012 -25.89583 -42.38804 1.000 74.09566  ? 616 LYS   A NZ  1 
ATOM   10   N N   . ASN   A 1 40  ? -8.42728  -22.26867 -42.02723 1.000 65.63501  ? 617 ASN   A N   1 
ATOM   11   C CA  . ASN   A 1 40  ? -7.77373  -22.43164 -40.73497 1.000 63.83034  ? 617 ASN   A CA  1 
ATOM   12   C C   . ASN   A 1 40  ? -8.07430  -21.23661 -39.83624 1.000 63.80334  ? 617 ASN   A C   1 
ATOM   13   O O   . ASN   A 1 40  ? -7.68873  -20.10570 -40.14527 1.000 65.96455  ? 617 ASN   A O   1 
ATOM   14   C CB  . ASN   A 1 40  ? -6.26733  -22.58794 -40.88457 1.000 62.58312  ? 617 ASN   A CB  1 
ATOM   15   C CG  . ASN   A 1 40  ? -5.56169  -22.62191 -39.53781 1.000 61.54779  ? 617 ASN   A CG  1 
ATOM   16   O OD1 . ASN   A 1 40  ? -5.46743  -23.66748 -38.90715 1.000 62.71449  ? 617 ASN   A OD1 1 
ATOM   17   N ND2 . ASN   A 1 40  ? -5.08345  -21.46892 -39.08136 1.000 62.43035  ? 617 ASN   A ND2 1 
ATOM   18   N N   . VAL   A 1 41  ? -8.71449  -21.49824 -38.70597 1.000 50.31181  ? 618 VAL   A N   1 
ATOM   19   C CA  . VAL   A 1 41  ? -9.12177  -20.47862 -37.74801 1.000 48.63072  ? 618 VAL   A CA  1 
ATOM   20   C C   . VAL   A 1 41  ? -8.13616  -20.48310 -36.58583 1.000 46.24935  ? 618 VAL   A C   1 
ATOM   21   O O   . VAL   A 1 41  ? -7.77929  -21.54792 -36.07028 1.000 45.52296  ? 618 VAL   A O   1 
ATOM   22   C CB  . VAL   A 1 41  ? -10.56650 -20.75934 -37.28654 1.000 47.16718  ? 618 VAL   A CB  1 
ATOM   23   C CG1 . VAL   A 1 41  ? -10.84526 -20.13303 -35.94719 1.000 46.53347  ? 618 VAL   A CG1 1 
ATOM   24   C CG2 . VAL   A 1 41  ? -11.56311 -20.27773 -38.35060 1.000 47.66458  ? 618 VAL   A CG2 1 
ATOM   25   N N   . VAL   A 1 42  ? -7.67707  -19.30339 -36.17498 1.000 44.31586  ? 619 VAL   A N   1 
ATOM   26   C CA  . VAL   A 1 42  ? -6.70559  -19.18329 -35.08761 1.000 44.56430  ? 619 VAL   A CA  1 
ATOM   27   C C   . VAL   A 1 42  ? -7.44828  -18.96513 -33.77231 1.000 44.31873  ? 619 VAL   A C   1 
ATOM   28   O O   . VAL   A 1 42  ? -8.17998  -17.97535 -33.62190 1.000 42.19833  ? 619 VAL   A O   1 
ATOM   29   C CB  . VAL   A 1 42  ? -5.71354  -18.04409 -35.33947 1.000 44.33541  ? 619 VAL   A CB  1 
ATOM   30   C CG1 . VAL   A 1 42  ? -4.70529  -17.99418 -34.21519 1.000 42.90017  ? 619 VAL   A CG1 1 
ATOM   31   C CG2 . VAL   A 1 42  ? -5.02982  -18.22890 -36.68305 1.000 46.67165  ? 619 VAL   A CG2 1 
ATOM   32   N N   . ILE   A 1 43  ? -7.23768  -19.87897 -32.81653 1.000 42.86143  ? 620 ILE   A N   1 
ATOM   33   C CA  . ILE   A 1 43  ? -7.88903  -19.85824 -31.50594 1.000 41.74355  ? 620 ILE   A CA  1 
ATOM   34   C C   . ILE   A 1 43  ? -6.83327  -19.52091 -30.46095 1.000 41.90884  ? 620 ILE   A C   1 
ATOM   35   O O   . ILE   A 1 43  ? -5.71912  -20.05680 -30.49111 1.000 40.69369  ? 620 ILE   A O   1 
ATOM   36   C CB  . ILE   A 1 43  ? -8.56132  -21.20977 -31.16659 1.000 41.52525  ? 620 ILE   A CB  1 
ATOM   37   C CG1 . ILE   A 1 43  ? -9.50263  -21.69370 -32.27857 1.000 43.74618  ? 620 ILE   A CG1 1 
ATOM   38   C CG2 . ILE   A 1 43  ? -9.29778  -21.14905 -29.81253 1.000 41.27109  ? 620 ILE   A CG2 1 
ATOM   39   C CD1 . ILE   A 1 43  ? -10.82158 -20.96475 -32.33017 1.000 43.77470  ? 620 ILE   A CD1 1 
ATOM   40   N N   . TYR   A 1 44  ? -7.18393  -18.65113 -29.52317 1.000 34.88606  ? 621 TYR   A N   1 
ATOM   41   C CA  . TYR   A 1 44  ? -6.26684  -18.25715 -28.46889 1.000 33.56212  ? 621 TYR   A CA  1 
ATOM   42   C C   . TYR   A 1 44  ? -6.88926  -18.57463 -27.11614 1.000 34.59223  ? 621 TYR   A C   1 
ATOM   43   O O   . TYR   A 1 44  ? -7.98762  -18.09335 -26.80580 1.000 34.24390  ? 621 TYR   A O   1 
ATOM   44   C CB  . TYR   A 1 44  ? -5.95263  -16.77065 -28.58336 1.000 35.12854  ? 621 TYR   A CB  1 
ATOM   45   C CG  . TYR   A 1 44  ? -5.06320  -16.28541 -27.49833 1.000 36.52282  ? 621 TYR   A CG  1 
ATOM   46   C CD1 . TYR   A 1 44  ? -3.71001  -16.60460 -27.50272 1.000 35.89470  ? 621 TYR   A CD1 1 
ATOM   47   C CD2 . TYR   A 1 44  ? -5.56092  -15.51208 -26.46582 1.000 37.05584  ? 621 TYR   A CD2 1 
ATOM   48   C CE1 . TYR   A 1 44  ? -2.86978  -16.15787 -26.50164 1.000 37.58831  ? 621 TYR   A CE1 1 
ATOM   49   C CE2 . TYR   A 1 44  ? -4.72876  -15.05066 -25.46206 1.000 39.38936  ? 621 TYR   A CE2 1 
ATOM   50   C CZ  . TYR   A 1 44  ? -3.38697  -15.37594 -25.48712 1.000 39.13478  ? 621 TYR   A CZ  1 
ATOM   51   O OH  . TYR   A 1 44  ? -2.56314  -14.91690 -24.50249 1.000 39.41011  ? 621 TYR   A OH  1 
ATOM   52   N N   . ALA   A 1 45  ? -6.19578  -19.37249 -26.30953 1.000 37.98545  ? 622 ALA   A N   1 
ATOM   53   C CA  . ALA   A 1 45  ? -6.65081  -19.69086 -24.95785 1.000 38.24576  ? 622 ALA   A CA  1 
ATOM   54   C C   . ALA   A 1 45  ? -5.54989  -19.33240 -23.97496 1.000 40.44970  ? 622 ALA   A C   1 
ATOM   55   O O   . ALA   A 1 45  ? -4.44379  -19.87953 -24.04616 1.000 38.77553  ? 622 ALA   A O   1 
ATOM   56   C CB  . ALA   A 1 45  ? -7.00758  -21.16806 -24.82861 1.000 37.54134  ? 622 ALA   A CB  1 
ATOM   57   N N   . ASP   A 1 46  ? -5.83901  -18.42709 -23.06266 1.000 42.47653  ? 623 ASP   A N   1 
ATOM   58   C CA  . ASP   A 1 46  ? -4.82812  -18.05382 -22.09034 1.000 43.65724  ? 623 ASP   A CA  1 
ATOM   59   C C   . ASP   A 1 46  ? -5.22228  -18.53494 -20.70158 1.000 43.63657  ? 623 ASP   A C   1 
ATOM   60   O O   . ASP   A 1 46  ? -6.38132  -18.85298 -20.41755 1.000 41.13673  ? 623 ASP   A O   1 
ATOM   61   C CB  . ASP   A 1 46  ? -4.57805  -16.53602 -22.09515 1.000 43.34273  ? 623 ASP   A CB  1 
ATOM   62   C CG  . ASP   A 1 46  ? -5.78908  -15.71956 -21.66820 1.000 46.33611  ? 623 ASP   A CG  1 
ATOM   63   O OD1 . ASP   A 1 46  ? -6.79915  -16.29518 -21.23019 1.000 48.35232  ? 623 ASP   A OD1 1 
ATOM   64   O OD2 . ASP   A 1 46  ? -5.73083  -14.47225 -21.76279 1.000 46.96069  ? 623 ASP   A OD2 1 
ATOM   65   N N   . GLY   A 1 47  ? -4.23371  -18.57523 -19.82792 1.000 38.04134  ? 624 GLY   A N   1 
ATOM   66   C CA  . GLY   A 1 47  ? -4.49135  -18.96868 -18.45710 1.000 39.07723  ? 624 GLY   A CA  1 
ATOM   67   C C   . GLY   A 1 47  ? -3.17649  -19.08152 -17.72803 1.000 40.84637  ? 624 GLY   A C   1 
ATOM   68   O O   . GLY   A 1 47  ? -2.10073  -18.88783 -18.30347 1.000 37.43430  ? 624 GLY   A O   1 
ATOM   69   N N   . VAL   A 1 48  ? -3.27603  -19.39463 -16.44241 1.000 46.79641  ? 625 VAL   A N   1 
ATOM   70   C CA  . VAL   A 1 48  ? -2.06842  -19.61055 -15.66343 1.000 46.44008  ? 625 VAL   A CA  1 
ATOM   71   C C   . VAL   A 1 48  ? -1.49238  -20.99465 -15.93868 1.000 46.55284  ? 625 VAL   A C   1 
ATOM   72   O O   . VAL   A 1 48  ? -0.27296  -21.15492 -16.07205 1.000 46.98942  ? 625 VAL   A O   1 
ATOM   73   C CB  . VAL   A 1 48  ? -2.37099  -19.38019 -14.17363 1.000 48.97458  ? 625 VAL   A CB  1 
ATOM   74   C CG1 . VAL   A 1 48  ? -2.81111  -17.95073 -13.95569 1.000 50.50463  ? 625 VAL   A CG1 1 
ATOM   75   C CG2 . VAL   A 1 48  ? -3.46149  -20.33801 -13.71453 1.000 53.54731  ? 625 VAL   A CG2 1 
ATOM   76   N N   . TYR   A 1 49  ? -2.34707  -22.01261 -16.06666 1.000 45.68194  ? 626 TYR   A N   1 
ATOM   77   C CA  . TYR   A 1 49  ? -1.89726  -23.38925 -16.33494 1.000 45.57567  ? 626 TYR   A CA  1 
ATOM   78   C C   . TYR   A 1 49  ? -0.90100  -23.88617 -15.28127 1.000 47.29167  ? 626 TYR   A C   1 
ATOM   79   O O   . TYR   A 1 49  ? 0.11677   -24.51146 -15.59308 1.000 46.58110  ? 626 TYR   A O   1 
ATOM   80   C CB  . TYR   A 1 49  ? -1.30338  -23.51624 -17.74190 1.000 44.14753  ? 626 TYR   A CB  1 
ATOM   81   C CG  . TYR   A 1 49  ? -2.30499  -23.20807 -18.81779 1.000 42.18114  ? 626 TYR   A CG  1 
ATOM   82   C CD1 . TYR   A 1 49  ? -3.35948  -24.07993 -19.07239 1.000 43.15175  ? 626 TYR   A CD1 1 
ATOM   83   C CD2 . TYR   A 1 49  ? -2.21824  -22.04185 -19.56316 1.000 42.40879  ? 626 TYR   A CD2 1 
ATOM   84   C CE1 . TYR   A 1 49  ? -4.28971  -23.80393 -20.04872 1.000 41.54127  ? 626 TYR   A CE1 1 
ATOM   85   C CE2 . TYR   A 1 49  ? -3.15564  -21.75118 -20.55310 1.000 41.90012  ? 626 TYR   A CE2 1 
ATOM   86   C CZ  . TYR   A 1 49  ? -4.18457  -22.63970 -20.78551 1.000 40.89929  ? 626 TYR   A CZ  1 
ATOM   87   O OH  . TYR   A 1 49  ? -5.12909  -22.37514 -21.74658 1.000 40.49276  ? 626 TYR   A OH  1 
ATOM   88   N N   . ASP   A 1 50  ? -1.21108  -23.63031 -14.01725 1.000 42.62258  ? 627 ASP   A N   1 
ATOM   89   C CA  . ASP   A 1 50  ? -0.38213  -24.13890 -12.93021 1.000 45.74709  ? 627 ASP   A CA  1 
ATOM   90   C C   . ASP   A 1 50  ? -0.77029  -25.58673 -12.65383 1.000 45.89677  ? 627 ASP   A C   1 
ATOM   91   O O   . ASP   A 1 50  ? -1.95675  -25.91347 -12.60249 1.000 45.08385  ? 627 ASP   A O   1 
ATOM   92   C CB  . ASP   A 1 50  ? -0.56982  -23.28431 -11.67321 1.000 45.11791  ? 627 ASP   A CB  1 
ATOM   93   C CG  . ASP   A 1 50  ? 0.66384   -23.26228 -10.76477 1.000 48.91078  ? 627 ASP   A CG  1 
ATOM   94   O OD1 . ASP   A 1 50  ? 1.72435   -23.81299 -11.12317 1.000 48.88232  ? 627 ASP   A OD1 1 
ATOM   95   O OD2 . ASP   A 1 50  ? 0.56953   -22.66376 -9.68014  1.000 50.90363  ? 627 ASP   A OD2 1 
ATOM   96   N N   . MET   A 1 51  ? 0.22877   -26.45919 -12.50096 1.000 51.59661  ? 628 MET   A N   1 
ATOM   97   C CA  . MET   A 1 51  ? 0.00463   -27.86943 -12.15607 1.000 50.26569  ? 628 MET   A CA  1 
ATOM   98   C C   . MET   A 1 51  ? -1.03242  -28.51044 -13.08635 1.000 48.38280  ? 628 MET   A C   1 
ATOM   99   O O   . MET   A 1 51  ? -2.07809  -29.00131 -12.66250 1.000 47.80513  ? 628 MET   A O   1 
ATOM   100  C CB  . MET   A 1 51  ? -0.40787  -28.00161 -10.68526 1.000 51.85712  ? 628 MET   A CB  1 
ATOM   101  C CG  . MET   A 1 51  ? 0.68263   -27.57057 -9.69287  1.000 54.70682  ? 628 MET   A CG  1 
ATOM   102  S SD  . MET   A 1 51  ? 0.15799   -27.71491 -7.97760  1.000 61.48635  ? 628 MET   A SD  1 
ATOM   103  C CE  . MET   A 1 51  ? -1.21849  -26.55382 -7.98720  1.000 60.88082  ? 628 MET   A CE  1 
ATOM   104  N N   . LEU   A 1 52  ? -0.71515  -28.49667 -14.37944 1.000 49.72364  ? 629 LEU   A N   1 
ATOM   105  C CA  . LEU   A 1 52  ? -1.65371  -28.93811 -15.40648 1.000 48.72223  ? 629 LEU   A CA  1 
ATOM   106  C C   . LEU   A 1 52  ? -2.22692  -30.30744 -15.07109 1.000 51.23354  ? 629 LEU   A C   1 
ATOM   107  O O   . LEU   A 1 52  ? -1.49163  -31.22298 -14.68885 1.000 51.80774  ? 629 LEU   A O   1 
ATOM   108  C CB  . LEU   A 1 52  ? -0.95185  -28.99509 -16.76303 1.000 47.89157  ? 629 LEU   A CB  1 
ATOM   109  C CG  . LEU   A 1 52  ? -1.84820  -28.96104 -18.00298 1.000 46.53388  ? 629 LEU   A CG  1 
ATOM   110  C CD1 . LEU   A 1 52  ? -2.13606  -27.51540 -18.32261 1.000 45.43381  ? 629 LEU   A CD1 1 
ATOM   111  C CD2 . LEU   A 1 52  ? -1.17856  -29.64990 -19.18642 1.000 47.61964  ? 629 LEU   A CD2 1 
ATOM   112  N N   . HIS   A 1 53  ? -3.54502  -30.45415 -15.22708 1.000 50.90409  ? 630 HIS   A N   1 
ATOM   113  C CA  . HIS   A 1 53  ? -4.17269  -31.75096 -15.02908 1.000 52.69108  ? 630 HIS   A CA  1 
ATOM   114  C C   . HIS   A 1 53  ? -5.25192  -31.97148 -16.08931 1.000 52.24823  ? 630 HIS   A C   1 
ATOM   115  O O   . HIS   A 1 53  ? -5.40991  -31.18150 -17.02473 1.000 49.56353  ? 630 HIS   A O   1 
ATOM   116  C CB  . HIS   A 1 53  ? -4.70971  -31.88600 -13.60320 1.000 57.43437  ? 630 HIS   A CB  1 
ATOM   117  C CG  . HIS   A 1 53  ? -5.74422  -30.86754 -13.23693 1.000 58.91474  ? 630 HIS   A CG  1 
ATOM   118  N ND1 . HIS   A 1 53  ? -6.89672  -30.67683 -13.96836 1.000 58.03370  ? 630 HIS   A ND1 1 
ATOM   119  C CD2 . HIS   A 1 53  ? -5.81529  -30.00477 -12.19252 1.000 61.05566  ? 630 HIS   A CD2 1 
ATOM   120  C CE1 . HIS   A 1 53  ? -7.62792  -29.73149 -13.40034 1.000 59.54836  ? 630 HIS   A CE1 1 
ATOM   121  N NE2 . HIS   A 1 53  ? -6.99723  -29.31126 -12.31673 1.000 60.79349  ? 630 HIS   A NE2 1 
ATOM   122  N N   . LEU   A 1 54  ? -5.98330  -33.08331 -15.94884 1.000 45.67436  ? 631 LEU   A N   1 
ATOM   123  C CA  . LEU   A 1 54  ? -6.92892  -33.50354 -16.98243 1.000 43.64799  ? 631 LEU   A CA  1 
ATOM   124  C C   . LEU   A 1 54  ? -7.94503  -32.41336 -17.28222 1.000 43.71750  ? 631 LEU   A C   1 
ATOM   125  O O   . LEU   A 1 54  ? -8.38640  -32.27040 -18.43297 1.000 40.50322  ? 631 LEU   A O   1 
ATOM   126  C CB  . LEU   A 1 54  ? -7.62875  -34.79040 -16.54348 1.000 47.00948  ? 631 LEU   A CB  1 
ATOM   127  C CG  . LEU   A 1 54  ? -8.15542  -35.72995 -17.62605 1.000 47.62383  ? 631 LEU   A CG  1 
ATOM   128  C CD1 . LEU   A 1 54  ? -7.07517  -36.11190 -18.60017 1.000 44.25908  ? 631 LEU   A CD1 1 
ATOM   129  C CD2 . LEU   A 1 54  ? -8.74190  -36.98133 -16.99571 1.000 50.22177  ? 631 LEU   A CD2 1 
ATOM   130  N N   . GLY   A 1 55  ? -8.31250  -31.62653 -16.26467 1.000 53.71596  ? 632 GLY   A N   1 
ATOM   131  C CA  . GLY   A 1 55  ? -9.23945  -30.52780 -16.47876 1.000 53.48673  ? 632 GLY   A CA  1 
ATOM   132  C C   . GLY   A 1 55  ? -8.72654  -29.51765 -17.48824 1.000 49.39394  ? 632 GLY   A C   1 
ATOM   133  O O   . GLY   A 1 55  ? -9.46204  -29.09558 -18.38523 1.000 49.54436  ? 632 GLY   A O   1 
ATOM   134  N N   . HIS   A 1 56  ? -7.45816  -29.10479 -17.34825 1.000 46.75007  ? 633 HIS   A N   1 
ATOM   135  C CA  . HIS   A 1 56  ? -6.85236  -28.20902 -18.33069 1.000 43.49596  ? 633 HIS   A CA  1 
ATOM   136  C C   . HIS   A 1 56  ? -6.78286  -28.87298 -19.69461 1.000 44.36328  ? 633 HIS   A C   1 
ATOM   137  O O   . HIS   A 1 56  ? -7.10415  -28.26440 -20.71844 1.000 39.77260  ? 633 HIS   A O   1 
ATOM   138  C CB  . HIS   A 1 56  ? -5.43833  -27.80147 -17.91408 1.000 45.84559  ? 633 HIS   A CB  1 
ATOM   139  C CG  . HIS   A 1 56  ? -5.35782  -27.09144 -16.59935 1.000 45.51680  ? 633 HIS   A CG  1 
ATOM   140  N ND1 . HIS   A 1 56  ? -5.14325  -27.75391 -15.41292 1.000 47.87598  ? 633 HIS   A ND1 1 
ATOM   141  C CD2 . HIS   A 1 56  ? -5.40587  -25.77453 -16.29066 1.000 47.27100  ? 633 HIS   A CD2 1 
ATOM   142  C CE1 . HIS   A 1 56  ? -5.09852  -26.88043 -14.42224 1.000 49.77292  ? 633 HIS   A CE1 1 
ATOM   143  N NE2 . HIS   A 1 56  ? -5.25485  -25.67142 -14.92714 1.000 48.65827  ? 633 HIS   A NE2 1 
ATOM   144  N N   . MET   A 1 57  ? -6.32698  -30.12144 -19.72810 1.000 39.30175  ? 634 MET   A N   1 
ATOM   145  C CA  . MET   A 1 57  ? -6.14634  -30.78845 -21.00805 1.000 39.86272  ? 634 MET   A CA  1 
ATOM   146  C C   . MET   A 1 57  ? -7.46477  -30.85757 -21.77017 1.000 38.91246  ? 634 MET   A C   1 
ATOM   147  O O   . MET   A 1 57  ? -7.51270  -30.58087 -22.97277 1.000 37.53014  ? 634 MET   A O   1 
ATOM   148  C CB  . MET   A 1 57  ? -5.55670  -32.17939 -20.78222 1.000 39.67482  ? 634 MET   A CB  1 
ATOM   149  C CG  . MET   A 1 57  ? -4.22179  -32.16189 -20.05129 1.000 38.75072  ? 634 MET   A CG  1 
ATOM   150  S SD  . MET   A 1 57  ? -3.73589  -33.81717 -19.53501 1.000 43.49916  ? 634 MET   A SD  1 
ATOM   151  C CE  . MET   A 1 57  ? -2.32830  -33.44271 -18.49282 1.000 41.78852  ? 634 MET   A CE  1 
ATOM   152  N N   . LYS   A 1 58  ? -8.55201  -31.20509 -21.08115 1.000 39.66768  ? 635 LYS   A N   1 
ATOM   153  C CA  . LYS   A 1 58  ? -9.84750  -31.28713 -21.75003 1.000 43.18580  ? 635 LYS   A CA  1 
ATOM   154  C C   . LYS   A 1 58  ? -10.28704 -29.92178 -22.25343 1.000 41.49187  ? 635 LYS   A C   1 
ATOM   155  O O   . LYS   A 1 58  ? -10.87951 -29.80735 -23.33728 1.000 40.95976  ? 635 LYS   A O   1 
ATOM   156  C CB  . LYS   A 1 58  ? -10.91079 -31.86152 -20.80991 1.000 43.92604  ? 635 LYS   A CB  1 
ATOM   157  C CG  . LYS   A 1 58  ? -10.78805 -33.34466 -20.51681 1.000 45.65210  ? 635 LYS   A CG  1 
ATOM   158  C CD  . LYS   A 1 58  ? -11.78148 -33.70828 -19.42155 1.000 48.97125  ? 635 LYS   A CD  1 
ATOM   159  C CE  . LYS   A 1 58  ? -11.88443 -35.19872 -19.23915 1.000 52.53861  ? 635 LYS   A CE  1 
ATOM   160  N NZ  . LYS   A 1 58  ? -12.78759 -35.60043 -18.11530 1.000 56.75562  ? 635 LYS   A NZ  1 
ATOM   161  N N   . GLN   A 1 59  ? -10.02152 -28.87343 -21.47176 1.000 48.67428  ? 636 GLN   A N   1 
ATOM   162  C CA  . GLN   A 1 59  ? -10.36837 -27.52892 -21.90906 1.000 48.75616  ? 636 GLN   A CA  1 
ATOM   163  C C   . GLN   A 1 59  ? -9.60966  -27.16169 -23.17352 1.000 46.94832  ? 636 GLN   A C   1 
ATOM   164  O O   . GLN   A 1 59  ? -10.19077 -26.61320 -24.11362 1.000 46.90166  ? 636 GLN   A O   1 
ATOM   165  C CB  . GLN   A 1 59  ? -10.08606 -26.54078 -20.77778 1.000 48.96107  ? 636 GLN   A CB  1 
ATOM   166  C CG  . GLN   A 1 59  ? -10.64763 -25.14976 -20.98559 1.000 53.30273  ? 636 GLN   A CG  1 
ATOM   167  C CD  . GLN   A 1 59  ? -11.21235 -24.55824 -19.69479 1.000 56.38850  ? 636 GLN   A CD  1 
ATOM   168  O OE1 . GLN   A 1 59  ? -12.20249 -23.81537 -19.71711 1.000 58.00067  ? 636 GLN   A OE1 1 
ATOM   169  N NE2 . GLN   A 1 59  ? -10.58832 -24.89231 -18.56057 1.000 55.88032  ? 636 GLN   A NE2 1 
ATOM   170  N N   . LEU   A 1 60  ? -8.30839  -27.47816 -23.21726 1.000 40.05486  ? 637 LEU   A N   1 
ATOM   171  C CA  . LEU   A 1 60  ? -7.49873  -27.22738 -24.40195 1.000 39.91310  ? 637 LEU   A CA  1 
ATOM   172  C C   . LEU   A 1 60  ? -7.97226  -28.05473 -25.58783 1.000 40.85453  ? 637 LEU   A C   1 
ATOM   173  O O   . LEU   A 1 60  ? -7.95419  -27.57932 -26.72717 1.000 40.47759  ? 637 LEU   A O   1 
ATOM   174  C CB  . LEU   A 1 60  ? -6.02572  -27.53654 -24.10743 1.000 38.46818  ? 637 LEU   A CB  1 
ATOM   175  C CG  . LEU   A 1 60  ? -5.30026  -26.63036 -23.11197 1.000 40.61024  ? 637 LEU   A CG  1 
ATOM   176  C CD1 . LEU   A 1 60  ? -3.94083  -27.23329 -22.66335 1.000 38.93637  ? 637 LEU   A CD1 1 
ATOM   177  C CD2 . LEU   A 1 60  ? -5.08095  -25.26477 -23.75107 1.000 38.18144  ? 637 LEU   A CD2 1 
ATOM   178  N N   . GLU   A 1 61  ? -8.36806  -29.30450 -25.35303 1.000 38.65191  ? 638 GLU   A N   1 
ATOM   179  C CA  . GLU   A 1 61  ? -8.87419  -30.11275 -26.45411 1.000 39.08218  ? 638 GLU   A CA  1 
ATOM   180  C C   . GLU   A 1 61  ? -10.13247 -29.49192 -27.02844 1.000 39.00589  ? 638 GLU   A C   1 
ATOM   181  O O   . GLU   A 1 61  ? -10.31280 -29.45060 -28.24858 1.000 38.05003  ? 638 GLU   A O   1 
ATOM   182  C CB  . GLU   A 1 61  ? -9.14910  -31.53755 -25.98573 1.000 40.12079  ? 638 GLU   A CB  1 
ATOM   183  C CG  . GLU   A 1 61  ? -9.61561  -32.46385 -27.09915 1.000 41.83921  ? 638 GLU   A CG  1 
ATOM   184  C CD  . GLU   A 1 61  ? -10.13895 -33.81132 -26.59103 1.000 45.54735  ? 638 GLU   A CD  1 
ATOM   185  O OE1 . GLU   A 1 61  ? -10.12887 -34.06001 -25.36224 1.000 46.44283  ? 638 GLU   A OE1 1 
ATOM   186  O OE2 . GLU   A 1 61  ? -10.56465 -34.62982 -27.43340 1.000 46.52415  ? 638 GLU   A OE2 1 
ATOM   187  N N   . GLN   A 1 62  ? -10.99848 -28.97648 -26.15479 1.000 45.76611  ? 639 GLN   A N   1 
ATOM   188  C CA  . GLN   A 1 62  ? -12.22488 -28.31663 -26.59357 1.000 46.75023  ? 639 GLN   A CA  1 
ATOM   189  C C   . GLN   A 1 62  ? -11.91796 -27.09529 -27.44683 1.000 46.54948  ? 639 GLN   A C   1 
ATOM   190  O O   . GLN   A 1 62  ? -12.52411 -26.89527 -28.50662 1.000 46.31037  ? 639 GLN   A O   1 
ATOM   191  C CB  . GLN   A 1 62  ? -13.06971 -27.92296 -25.37769 1.000 48.50923  ? 639 GLN   A CB  1 
ATOM   192  C CG  . GLN   A 1 62  ? -14.42184 -27.29823 -25.71567 1.000 52.34695  ? 639 GLN   A CG  1 
ATOM   193  C CD  . GLN   A 1 62  ? -15.22756 -26.94562 -24.46405 1.000 54.47540  ? 639 GLN   A CD  1 
ATOM   194  O OE1 . GLN   A 1 62  ? -14.79887 -27.22879 -23.33824 1.000 53.93617  ? 639 GLN   A OE1 1 
ATOM   195  N NE2 . GLN   A 1 62  ? -16.40209 -26.33073 -24.65692 1.000 55.99686  ? 639 GLN   A NE2 1 
ATOM   196  N N   . ALA   A 1 63  ? -10.97392 -26.26343 -26.99682 1.000 38.19658  ? 640 ALA   A N   1 
ATOM   197  C CA  . ALA   A 1 63  ? -10.58406 -25.09773 -27.78195 1.000 37.58810  ? 640 ALA   A CA  1 
ATOM   198  C C   . ALA   A 1 63  ? -10.06927 -25.52244 -29.14462 1.000 38.08541  ? 640 ALA   A C   1 
ATOM   199  O O   . ALA   A 1 63  ? -10.47236 -24.96944 -30.17382 1.000 38.67789  ? 640 ALA   A O   1 
ATOM   200  C CB  . ALA   A 1 63  ? -9.51816  -24.29401 -27.03678 1.000 36.13176  ? 640 ALA   A CB  1 
ATOM   201  N N   . LYS   A 1 64  ? -9.16726  -26.51260 -29.16499 1.000 34.74343  ? 641 LYS   A N   1 
ATOM   202  C CA  . LYS   A 1 64  ? -8.59574  -26.99989 -30.41512 1.000 37.31015  ? 641 LYS   A CA  1 
ATOM   203  C C   . LYS   A 1 64  ? -9.68161  -27.50197 -31.35816 1.000 39.47208  ? 641 LYS   A C   1 
ATOM   204  O O   . LYS   A 1 64  ? -9.59019  -27.31093 -32.57585 1.000 41.80059  ? 641 LYS   A O   1 
ATOM   205  C CB  . LYS   A 1 64  ? -7.56368  -28.10275 -30.11152 1.000 35.24367  ? 641 LYS   A CB  1 
ATOM   206  C CG  . LYS   A 1 64  ? -7.00498  -28.86351 -31.31720 1.000 36.01643  ? 641 LYS   A CG  1 
ATOM   207  C CD  . LYS   A 1 64  ? -6.12067  -27.99645 -32.17826 1.000 36.81096  ? 641 LYS   A CD  1 
ATOM   208  C CE  . LYS   A 1 64  ? -5.75967  -28.68321 -33.47166 1.000 37.88384  ? 641 LYS   A CE  1 
ATOM   209  N NZ  . LYS   A 1 64  ? -5.05653  -27.76790 -34.40441 1.000 36.10916  ? 641 LYS   A NZ  1 
ATOM   210  N N   . LYS   A 1 65  ? -10.73371 -28.11166 -30.82469 1.000 37.92826  ? 642 LYS   A N   1 
ATOM   211  C CA  . LYS   A 1 65  ? -11.74276 -28.73525 -31.67168 1.000 39.62568  ? 642 LYS   A CA  1 
ATOM   212  C C   . LYS   A 1 65  ? -12.99339 -27.87401 -31.84352 1.000 40.08104  ? 642 LYS   A C   1 
ATOM   213  O O   . LYS   A 1 65  ? -14.05964 -28.40318 -32.16276 1.000 38.80762  ? 642 LYS   A O   1 
ATOM   214  C CB  . LYS   A 1 65  ? -12.11922 -30.10471 -31.11643 1.000 40.30348  ? 642 LYS   A CB  1 
ATOM   215  C CG  . LYS   A 1 65  ? -11.02390 -31.14536 -31.25078 1.000 39.78463  ? 642 LYS   A CG  1 
ATOM   216  C CD  . LYS   A 1 65  ? -11.47135 -32.49806 -30.72795 1.000 40.91503  ? 642 LYS   A CD  1 
ATOM   217  C CE  . LYS   A 1 65  ? -10.25300 -33.42957 -30.62045 1.000 38.37702  ? 642 LYS   A CE  1 
ATOM   218  N NZ  . LYS   A 1 65  ? -10.64792 -34.78087 -30.23642 1.000 41.22696  ? 642 LYS   A NZ  1 
ATOM   219  N N   . LEU   A 1 66  ? -12.88976 -26.56404 -31.63334 1.000 43.48562  ? 643 LEU   A N   1 
ATOM   220  C CA  . LEU   A 1 66  ? -14.02787 -25.69352 -31.90582 1.000 42.99325  ? 643 LEU   A CA  1 
ATOM   221  C C   . LEU   A 1 66  ? -14.39455 -25.72146 -33.38070 1.000 43.64628  ? 643 LEU   A C   1 
ATOM   222  O O   . LEU   A 1 66  ? -15.57234 -25.67203 -33.73490 1.000 43.80000  ? 643 LEU   A O   1 
ATOM   223  C CB  . LEU   A 1 66  ? -13.70692 -24.26790 -31.46198 1.000 42.29741  ? 643 LEU   A CB  1 
ATOM   224  C CG  . LEU   A 1 66  ? -13.65042 -24.12105 -29.94404 1.000 42.32750  ? 643 LEU   A CG  1 
ATOM   225  C CD1 . LEU   A 1 66  ? -12.99881 -22.79847 -29.58175 1.000 39.92407  ? 643 LEU   A CD1 1 
ATOM   226  C CD2 . LEU   A 1 66  ? -15.07716 -24.23602 -29.34186 1.000 42.75497  ? 643 LEU   A CD2 1 
ATOM   227  N N   . PHE   A 1 67  ? -13.40298 -25.82469 -34.25371 1.000 44.85110  ? 644 PHE   A N   1 
ATOM   228  C CA  . PHE   A 1 67  ? -13.62689 -25.83288 -35.68958 1.000 47.66333  ? 644 PHE   A CA  1 
ATOM   229  C C   . PHE   A 1 67  ? -12.80237 -26.95097 -36.31790 1.000 48.51895  ? 644 PHE   A C   1 
ATOM   230  O O   . PHE   A 1 67  ? -11.94336 -27.55532 -35.66785 1.000 48.20799  ? 644 PHE   A O   1 
ATOM   231  C CB  . PHE   A 1 67  ? -13.29258 -24.46009 -36.28107 1.000 45.13550  ? 644 PHE   A CB  1 
ATOM   232  C CG  . PHE   A 1 67  ? -14.17813 -23.36273 -35.75024 1.000 45.29290  ? 644 PHE   A CG  1 
ATOM   233  C CD1 . PHE   A 1 67  ? -15.46875 -23.21060 -36.23100 1.000 47.12890  ? 644 PHE   A CD1 1 
ATOM   234  C CD2 . PHE   A 1 67  ? -13.73865 -22.51581 -34.74489 1.000 45.22798  ? 644 PHE   A CD2 1 
ATOM   235  C CE1 . PHE   A 1 67  ? -16.30676 -22.21249 -35.73384 1.000 46.32467  ? 644 PHE   A CE1 1 
ATOM   236  C CE2 . PHE   A 1 67  ? -14.56293 -21.51223 -34.24467 1.000 43.75171  ? 644 PHE   A CE2 1 
ATOM   237  C CZ  . PHE   A 1 67  ? -15.84483 -21.36573 -34.73638 1.000 44.98693  ? 644 PHE   A CZ  1 
ATOM   238  N N   . GLU   A 1 68  ? -13.08954 -27.24555 -37.59036 1.000 47.72674  ? 645 GLU   A N   1 
ATOM   239  C CA  . GLU   A 1 68  ? -12.43372 -28.36695 -38.25532 1.000 48.64845  ? 645 GLU   A CA  1 
ATOM   240  C C   . GLU   A 1 68  ? -10.94462 -28.10763 -38.40954 1.000 49.78309  ? 645 GLU   A C   1 
ATOM   241  O O   . GLU   A 1 68  ? -10.11670 -28.97227 -38.10031 1.000 49.89843  ? 645 GLU   A O   1 
ATOM   242  C CB  . GLU   A 1 68  ? -13.07880 -28.63232 -39.61475 1.000 49.87564  ? 645 GLU   A CB  1 
ATOM   243  N N   . ASN   A 1 69  ? -10.58337 -26.91884 -38.88004 1.000 53.55959  ? 646 ASN   A N   1 
ATOM   244  C CA  . ASN   A 1 69  ? -9.18866  -26.54633 -39.09469 1.000 53.16750  ? 646 ASN   A CA  1 
ATOM   245  C C   . ASN   A 1 69  ? -8.86773  -25.36651 -38.19064 1.000 52.21047  ? 646 ASN   A C   1 
ATOM   246  O O   . ASN   A 1 69  ? -9.38569  -24.26488 -38.39531 1.000 51.79035  ? 646 ASN   A O   1 
ATOM   247  C CB  . ASN   A 1 69  ? -8.93216  -26.20227 -40.56037 1.000 55.83456  ? 646 ASN   A CB  1 
ATOM   248  C CG  . ASN   A 1 69  ? -9.19385  -27.37498 -41.48486 1.000 60.87370  ? 646 ASN   A CG  1 
ATOM   249  O OD1 . ASN   A 1 69  ? -10.13031 -27.35646 -42.29459 1.000 62.67656  ? 646 ASN   A OD1 1 
ATOM   250  N ND2 . ASN   A 1 69  ? -8.35857  -28.40613 -41.37888 1.000 63.00370  ? 646 ASN   A ND2 1 
ATOM   251  N N   . THR   A 1 70  ? -8.01433  -25.59441 -37.19975 1.000 44.12591  ? 647 THR   A N   1 
ATOM   252  C CA  . THR   A 1 70  ? -7.67393  -24.56576 -36.23494 1.000 44.17824  ? 647 THR   A CA  1 
ATOM   253  C C   . THR   A 1 70  ? -6.17272  -24.55698 -35.99659 1.000 43.44223  ? 647 THR   A C   1 
ATOM   254  O O   . THR   A 1 70  ? -5.47510  -25.54872 -36.22418 1.000 41.60340  ? 647 THR   A O   1 
ATOM   255  C CB  . THR   A 1 70  ? -8.38737  -24.78408 -34.89176 1.000 44.13323  ? 647 THR   A CB  1 
ATOM   256  O OG1 . THR   A 1 70  ? -7.78498  -25.88959 -34.20966 1.000 41.97938  ? 647 THR   A OG1 1 
ATOM   257  C CG2 . THR   A 1 70  ? -9.86786  -25.09167 -35.11092 1.000 45.89725  ? 647 THR   A CG2 1 
ATOM   258  N N   . THR   A 1 71  ? -5.68332  -23.41393 -35.52151 1.000 40.54284  ? 648 THR   A N   1 
ATOM   259  C CA  . THR   A 1 71  ? -4.38760  -23.31254 -34.85504 1.000 37.39938  ? 648 THR   A CA  1 
ATOM   260  C C   . THR   A 1 71  ? -4.68258  -22.86373 -33.43600 1.000 38.83176  ? 648 THR   A C   1 
ATOM   261  O O   . THR   A 1 71  ? -5.18671  -21.74854 -33.23305 1.000 37.21639  ? 648 THR   A O   1 
ATOM   262  C CB  . THR   A 1 71  ? -3.48091  -22.30824 -35.55898 1.000 37.59021  ? 648 THR   A CB  1 
ATOM   263  O OG1 . THR   A 1 71  ? -3.31463  -22.70910 -36.91124 1.000 37.81184  ? 648 THR   A OG1 1 
ATOM   264  C CG2 . THR   A 1 71  ? -2.12279  -22.23469 -34.89718 1.000 36.70836  ? 648 THR   A CG2 1 
ATOM   265  N N   . LEU   A 1 72  ? -4.42262  -23.72633 -32.45517 1.000 38.51855  ? 649 LEU   A N   1 
ATOM   266  C CA  . LEU   A 1 72  ? -4.62421  -23.32923 -31.07141 1.000 37.85968  ? 649 LEU   A CA  1 
ATOM   267  C C   . LEU   A 1 72  ? -3.33830  -22.69821 -30.54527 1.000 37.84599  ? 649 LEU   A C   1 
ATOM   268  O O   . LEU   A 1 72  ? -2.27860  -23.34716 -30.50107 1.000 36.18436  ? 649 LEU   A O   1 
ATOM   269  C CB  . LEU   A 1 72  ? -5.06304  -24.48978 -30.18385 1.000 36.49924  ? 649 LEU   A CB  1 
ATOM   270  C CG  . LEU   A 1 72  ? -5.28116  -24.10295 -28.70386 1.000 35.81984  ? 649 LEU   A CG  1 
ATOM   271  C CD1 . LEU   A 1 72  ? -6.35803  -23.03134 -28.55149 1.000 35.18555  ? 649 LEU   A CD1 1 
ATOM   272  C CD2 . LEU   A 1 72  ? -5.60913  -25.32239 -27.81019 1.000 35.93162  ? 649 LEU   A CD2 1 
ATOM   273  N N   . ILE   A 1 73  ? -3.43392  -21.42424 -30.18529 1.000 35.26148  ? 650 ILE   A N   1 
ATOM   274  C CA  . ILE   A 1 73  ? -2.36696  -20.69155 -29.51777 1.000 36.39008  ? 650 ILE   A CA  1 
ATOM   275  C C   . ILE   A 1 73  ? -2.73022  -20.60398 -28.04124 1.000 36.30948  ? 650 ILE   A C   1 
ATOM   276  O O   . ILE   A 1 73  ? -3.82356  -20.14924 -27.69191 1.000 35.62489  ? 650 ILE   A O   1 
ATOM   277  C CB  . ILE   A 1 73  ? -2.20091  -19.28743 -30.12033 1.000 36.86311  ? 650 ILE   A CB  1 
ATOM   278  C CG1 . ILE   A 1 73  ? -1.91674  -19.36515 -31.61478 1.000 37.67687  ? 650 ILE   A CG1 1 
ATOM   279  C CG2 . ILE   A 1 73  ? -1.09966  -18.50987 -29.40418 1.000 36.21763  ? 650 ILE   A CG2 1 
ATOM   280  C CD1 . ILE   A 1 73  ? -1.88577  -17.99641 -32.24591 1.000 37.77467  ? 650 ILE   A CD1 1 
ATOM   281  N N   . VAL   A 1 74  ? -1.83336  -21.05575 -27.18146 1.000 36.92482  ? 651 VAL   A N   1 
ATOM   282  C CA  . VAL   A 1 74  ? -2.01583  -20.96003 -25.74197 1.000 36.89118  ? 651 VAL   A CA  1 
ATOM   283  C C   . VAL   A 1 74  ? -1.11774  -19.84928 -25.21611 1.000 39.58127  ? 651 VAL   A C   1 
ATOM   284  O O   . VAL   A 1 74  ? 0.05682   -19.75380 -25.60305 1.000 39.03822  ? 651 VAL   A O   1 
ATOM   285  C CB  . VAL   A 1 74  ? -1.70826  -22.30326 -25.06513 1.000 38.33252  ? 651 VAL   A CB  1 
ATOM   286  C CG1 . VAL   A 1 74  ? -1.76944  -22.15980 -23.54556 1.000 36.02426  ? 651 VAL   A CG1 1 
ATOM   287  C CG2 . VAL   A 1 74  ? -2.71473  -23.33996 -25.54666 1.000 36.04054  ? 651 VAL   A CG2 1 
ATOM   288  N N   . GLY   A 1 75  ? -1.66953  -18.99711 -24.35911 1.000 37.53620  ? 652 GLY   A N   1 
ATOM   289  C CA  . GLY   A 1 75  ? -0.90247  -17.96866 -23.66452 1.000 39.96053  ? 652 GLY   A CA  1 
ATOM   290  C C   . GLY   A 1 75  ? -0.75330  -18.33837 -22.19990 1.000 40.94017  ? 652 GLY   A C   1 
ATOM   291  O O   . GLY   A 1 75  ? -1.71765  -18.76874 -21.56334 1.000 39.95047  ? 652 GLY   A O   1 
ATOM   292  N N   . VAL   A 1 76  ? 0.45462   -18.15093 -21.66402 1.000 40.48915  ? 653 VAL   A N   1 
ATOM   293  C CA  . VAL   A 1 76  ? 0.79533   -18.57214 -20.30344 1.000 39.64751  ? 653 VAL   A CA  1 
ATOM   294  C C   . VAL   A 1 76  ? 1.21897   -17.34350 -19.50446 1.000 42.83401  ? 653 VAL   A C   1 
ATOM   295  O O   . VAL   A 1 76  ? 2.18686   -16.66403 -19.86872 1.000 43.77746  ? 653 VAL   A O   1 
ATOM   296  C CB  . VAL   A 1 76  ? 1.90287   -19.63714 -20.30405 1.000 40.62952  ? 653 VAL   A CB  1 
ATOM   297  C CG1 . VAL   A 1 76  ? 2.13307   -20.16212 -18.89902 1.000 41.54137  ? 653 VAL   A CG1 1 
ATOM   298  C CG2 . VAL   A 1 76  ? 1.55160   -20.76041 -21.25433 1.000 40.35030  ? 653 VAL   A CG2 1 
ATOM   299  N N   . THR   A 1 77  ? 0.50419   -17.06610 -18.41393 1.000 38.61601  ? 654 THR   A N   1 
ATOM   300  C CA  . THR   A 1 77  ? 0.72751   -15.84934 -17.65327 1.000 40.97863  ? 654 THR   A CA  1 
ATOM   301  C C   . THR   A 1 77  ? 2.10144   -15.87580 -16.99792 1.000 42.45986  ? 654 THR   A C   1 
ATOM   302  O O   . THR   A 1 77  ? 2.62242   -16.93481 -16.65130 1.000 44.73045  ? 654 THR   A O   1 
ATOM   303  C CB  . THR   A 1 77  ? -0.36510  -15.69095 -16.59526 1.000 42.23155  ? 654 THR   A CB  1 
ATOM   304  O OG1 . THR   A 1 77  ? -0.40993  -16.86473 -15.76678 1.000 42.80624  ? 654 THR   A OG1 1 
ATOM   305  C CG2 . THR   A 1 77  ? -1.70695  -15.54497 -17.26969 1.000 43.42014  ? 654 THR   A CG2 1 
ATOM   306  N N   . SER   A 1 78  ? 2.69633   -14.69678 -16.84243 1.000 43.43777  ? 655 SER   A N   1 
ATOM   307  C CA  . SER   A 1 78  ? 3.98790   -14.58864 -16.17401 1.000 46.41649  ? 655 SER   A CA  1 
ATOM   308  C C   . SER   A 1 78  ? 3.86461   -14.89386 -14.68103 1.000 48.00559  ? 655 SER   A C   1 
ATOM   309  O O   . SER   A 1 78  ? 2.79691   -14.75578 -14.07541 1.000 46.61188  ? 655 SER   A O   1 
ATOM   310  C CB  . SER   A 1 78  ? 4.58145   -13.18613 -16.36378 1.000 47.26164  ? 655 SER   A CB  1 
ATOM   311  O OG  . SER   A 1 78  ? 3.87499   -12.18057 -15.63384 1.000 50.62218  ? 655 SER   A OG  1 
ATOM   312  N N   . ASP   A 1 79  ? 4.98768   -15.29614 -14.08270 1.000 53.05374  ? 656 ASP   A N   1 
ATOM   313  C CA  . ASP   A 1 79  ? 5.02165   -15.50646 -12.64053 1.000 55.78131  ? 656 ASP   A CA  1 
ATOM   314  C C   . ASP   A 1 79  ? 4.64270   -14.23650 -11.90247 1.000 58.08414  ? 656 ASP   A C   1 
ATOM   315  O O   . ASP   A 1 79  ? 3.78959   -14.25191 -11.00932 1.000 59.70121  ? 656 ASP   A O   1 
ATOM   316  C CB  . ASP   A 1 79  ? 6.41447   -15.96213 -12.20231 1.000 56.90546  ? 656 ASP   A CB  1 
ATOM   317  C CG  . ASP   A 1 79  ? 6.77507   -17.33334 -12.73148 1.000 55.20962  ? 656 ASP   A CG  1 
ATOM   318  O OD1 . ASP   A 1 79  ? 5.86729   -18.17072 -12.90138 1.000 55.17776  ? 656 ASP   A OD1 1 
ATOM   319  O OD2 . ASP   A 1 79  ? 7.97524   -17.57747 -12.97066 1.000 56.72373  ? 656 ASP   A OD2 1 
ATOM   320  N N   . ASN   A 1 80  ? 5.29174   -13.12527 -12.25367 1.000 69.41929  ? 657 ASN   A N   1 
ATOM   321  C CA  . ASN   A 1 80  ? 5.07114   -11.87303 -11.54074 1.000 70.04134  ? 657 ASN   A CA  1 
ATOM   322  C C   . ASN   A 1 80  ? 3.60236   -11.48343 -11.56438 1.000 70.43439  ? 657 ASN   A C   1 
ATOM   323  O O   . ASN   A 1 80  ? 3.00260   -11.20885 -10.52002 1.000 71.08336  ? 657 ASN   A O   1 
ATOM   324  C CB  . ASN   A 1 80  ? 5.92381   -10.76172 -12.15370 1.000 71.99071  ? 657 ASN   A CB  1 
ATOM   325  C CG  . ASN   A 1 80  ? 7.35254   -10.77862 -11.65831 1.000 75.46792  ? 657 ASN   A CG  1 
ATOM   326  O OD1 . ASN   A 1 80  ? 7.74246   -11.64741 -10.87239 1.000 78.63438  ? 657 ASN   A OD1 1 
ATOM   327  N ND2 . ASN   A 1 80  ? 8.15046   -9.81653  -12.12097 1.000 78.26545  ? 657 ASN   A ND2 1 
ATOM   328  N N   . GLU   A 1 81  ? 3.00370   -11.45112 -12.75327 1.000 63.04560  ? 658 GLU   A N   1 
ATOM   329  C CA  . GLU   A 1 81  ? 1.61271   -11.03965 -12.85495 1.000 64.20084  ? 658 GLU   A CA  1 
ATOM   330  C C   . GLU   A 1 81  ? 0.70075   -12.02125 -12.13668 1.000 64.02113  ? 658 GLU   A C   1 
ATOM   331  O O   . GLU   A 1 81  ? -0.20559  -11.61758 -11.40338 1.000 67.17574  ? 658 GLU   A O   1 
ATOM   332  C CB  . GLU   A 1 81  ? 1.22796   -10.88098 -14.32492 1.000 62.44043  ? 658 GLU   A CB  1 
ATOM   333  C CG  . GLU   A 1 81  ? 1.67196   -9.52231  -14.87172 1.000 62.83335  ? 658 GLU   A CG  1 
ATOM   334  C CD  . GLU   A 1 81  ? 1.43659   -9.38890  -16.35409 1.000 60.41936  ? 658 GLU   A CD  1 
ATOM   335  O OE1 . GLU   A 1 81  ? 1.46467   -10.41907 -17.05402 1.000 60.74367  ? 658 GLU   A OE1 1 
ATOM   336  O OE2 . GLU   A 1 81  ? 1.21154   -8.25591  -16.81614 1.000 63.33484  ? 658 GLU   A OE2 1 
ATOM   337  N N   . THR   A 1 82  ? 0.93301   -13.31650 -12.31750 1.000 59.63562  ? 659 THR   A N   1 
ATOM   338  C CA  . THR   A 1 82  ? 0.11930   -14.29977 -11.60896 1.000 60.83075  ? 659 THR   A CA  1 
ATOM   339  C C   . THR   A 1 82  ? 0.18110   -14.07323 -10.10046 1.000 64.54318  ? 659 THR   A C   1 
ATOM   340  O O   . THR   A 1 82  ? -0.85454  -13.94737 -9.43450  1.000 64.38512  ? 659 THR   A O   1 
ATOM   341  C CB  . THR   A 1 82  ? 0.56916   -15.71529 -11.96580 1.000 57.46632  ? 659 THR   A CB  1 
ATOM   342  O OG1 . THR   A 1 82  ? 0.45807   -15.91240 -13.37913 1.000 54.73663  ? 659 THR   A OG1 1 
ATOM   343  C CG2 . THR   A 1 82  ? -0.29098  -16.74903 -11.25440 1.000 57.52368  ? 659 THR   A CG2 1 
ATOM   344  N N   . LYS   A 1 83  ? 1.38969   -14.00871 -9.53763  1.000 77.73312  ? 660 LYS   A N   1 
ATOM   345  C CA  . LYS   A 1 83  ? 1.49439   -13.73341 -8.10807  1.000 81.17621  ? 660 LYS   A CA  1 
ATOM   346  C C   . LYS   A 1 83  ? 0.73270   -12.46371 -7.74200  1.000 83.84185  ? 660 LYS   A C   1 
ATOM   347  O O   . LYS   A 1 83  ? -0.00482  -12.43232 -6.74917  1.000 86.59734  ? 660 LYS   A O   1 
ATOM   348  C CB  . LYS   A 1 83  ? 2.96252   -13.60879 -7.68370  1.000 81.92310  ? 660 LYS   A CB  1 
ATOM   349  C CG  . LYS   A 1 83  ? 3.83585   -14.81610 -8.00879  1.000 82.50868  ? 660 LYS   A CG  1 
ATOM   350  C CD  . LYS   A 1 83  ? 5.29567   -14.56221 -7.61613  1.000 83.36565  ? 660 LYS   A CD  1 
ATOM   351  C CE  . LYS   A 1 83  ? 6.20363   -15.68784 -8.09323  1.000 82.14853  ? 660 LYS   A CE  1 
ATOM   352  N NZ  . LYS   A 1 83  ? 7.62221   -15.42006 -7.76630  1.000 83.63182  ? 660 LYS   A NZ  1 
ATOM   353  N N   . LEU   A 1 84  ? 0.88569   -11.40799 -8.54412  1.000 74.48840  ? 661 LEU   A N   1 
ATOM   354  C CA  . LEU   A 1 84  ? 0.35313   -10.10168 -8.17014  1.000 76.26899  ? 661 LEU   A CA  1 
ATOM   355  C C   . LEU   A 1 84  ? -1.16732  -10.04793 -8.29723  1.000 75.98917  ? 661 LEU   A C   1 
ATOM   356  O O   . LEU   A 1 84  ? -1.83094  -9.38609  -7.49056  1.000 77.67863  ? 661 LEU   A O   1 
ATOM   357  C CB  . LEU   A 1 84  ? 1.00707   -9.01447  -9.02775  1.000 75.47868  ? 661 LEU   A CB  1 
ATOM   358  C CG  . LEU   A 1 84  ? 0.90814   -7.55519  -8.58188  1.000 78.79878  ? 661 LEU   A CG  1 
ATOM   359  C CD1 . LEU   A 1 84  ? 1.85595   -7.27168  -7.41978  1.000 80.64858  ? 661 LEU   A CD1 1 
ATOM   360  C CD2 . LEU   A 1 84  ? 1.18182   -6.61083  -9.75211  1.000 78.31073  ? 661 LEU   A CD2 1 
ATOM   361  N N   . PHE   A 1 85  ? -1.73788  -10.73791 -9.29176  1.000 80.97856  ? 662 PHE   A N   1 
ATOM   362  C CA  . PHE   A 1 85  ? -3.17214  -10.67696 -9.55344  1.000 81.67509  ? 662 PHE   A CA  1 
ATOM   363  C C   . PHE   A 1 85  ? -3.93199  -11.91505 -9.11290  1.000 82.44346  ? 662 PHE   A C   1 
ATOM   364  O O   . PHE   A 1 85  ? -5.13302  -11.82086 -8.86541  1.000 82.82089  ? 662 PHE   A O   1 
ATOM   365  C CB  . PHE   A 1 85  ? -3.44304  -10.45323 -11.04826 1.000 80.61670  ? 662 PHE   A CB  1 
ATOM   366  C CG  . PHE   A 1 85  ? -2.80151  -9.21257  -11.60397 1.000 79.70819  ? 662 PHE   A CG  1 
ATOM   367  C CD1 . PHE   A 1 85  ? -2.91091  -8.00146  -10.94595 1.000 84.56015  ? 662 PHE   A CD1 1 
ATOM   368  C CD2 . PHE   A 1 85  ? -2.06581  -9.26861  -12.77908 1.000 79.43013  ? 662 PHE   A CD2 1 
ATOM   369  C CE1 . PHE   A 1 85  ? -2.30965  -6.86163  -11.45223 1.000 84.80137  ? 662 PHE   A CE1 1 
ATOM   370  C CE2 . PHE   A 1 85  ? -1.46166  -8.13266  -13.29313 1.000 79.32347  ? 662 PHE   A CE2 1 
ATOM   371  C CZ  . PHE   A 1 85  ? -1.58663  -6.92890  -12.62973 1.000 83.65262  ? 662 PHE   A CZ  1 
ATOM   372  N N   . LYS   A 1 86  ? -3.27819  -13.07412 -9.03182  1.000 81.16542  ? 663 LYS   A N   1 
ATOM   373  C CA  . LYS   A 1 86  ? -3.90791  -14.27093 -8.49442  1.000 81.99990  ? 663 LYS   A CA  1 
ATOM   374  C C   . LYS   A 1 86  ? -3.36702  -14.67709 -7.12884  1.000 85.16813  ? 663 LYS   A C   1 
ATOM   375  O O   . LYS   A 1 86  ? -4.00991  -15.47626 -6.43859  1.000 86.15497  ? 663 LYS   A O   1 
ATOM   376  C CB  . LYS   A 1 86  ? -3.75182  -15.44420 -9.46393  1.000 79.25108  ? 663 LYS   A CB  1 
ATOM   377  C CG  . LYS   A 1 86  ? -5.00008  -16.27639 -9.59822  1.000 81.02327  ? 663 LYS   A CG  1 
ATOM   378  C CD  . LYS   A 1 86  ? -5.75629  -15.91827 -10.86114 1.000 77.69358  ? 663 LYS   A CD  1 
ATOM   379  C CE  . LYS   A 1 86  ? -6.05029  -17.17283 -11.65349 1.000 75.89358  ? 663 LYS   A CE  1 
ATOM   380  N NZ  . LYS   A 1 86  ? -6.29986  -16.92335 -13.10455 1.000 69.80825  ? 663 LYS   A NZ  1 
ATOM   381  N N   . GLY   A 1 87  ? -2.21730  -14.15297 -6.71533  1.000 96.52713  ? 664 GLY   A N   1 
ATOM   382  C CA  . GLY   A 1 87  ? -1.75075  -14.36638 -5.35785  1.000 98.10933  ? 664 GLY   A CA  1 
ATOM   383  C C   . GLY   A 1 87  ? -0.64509  -15.39067 -5.21120  1.000 99.13712  ? 664 GLY   A C   1 
ATOM   384  O O   . GLY   A 1 87  ? 0.34855   -15.15275 -4.51824  1.000 99.78908  ? 664 GLY   A O   1 
ATOM   385  N N   . GLN   A 1 88  ? -0.80503  -16.54040 -5.84976  1.000 84.91102  ? 665 GLN   A N   1 
ATOM   386  C CA  . GLN   A 1 88  ? 0.17295   -17.60576 -5.75589  1.000 83.23144  ? 665 GLN   A CA  1 
ATOM   387  C C   . GLN   A 1 88  ? 0.49037   -18.10229 -7.15455  1.000 78.23420  ? 665 GLN   A C   1 
ATOM   388  O O   . GLN   A 1 88  ? -0.13229  -17.69653 -8.13981  1.000 77.76647  ? 665 GLN   A O   1 
ATOM   389  C CB  . GLN   A 1 88  ? -0.33808  -18.75672 -4.87759  1.000 83.24310  ? 665 GLN   A CB  1 
ATOM   390  N N   . VAL   A 1 89  ? 1.49716   -18.96962 -7.23296  1.000 66.53854  ? 666 VAL   A N   1 
ATOM   391  C CA  . VAL   A 1 89  ? 1.75755   -19.77388 -8.42334  1.000 61.30636  ? 666 VAL   A CA  1 
ATOM   392  C C   . VAL   A 1 89  ? 2.80185   -20.80631 -8.03151  1.000 60.61866  ? 666 VAL   A C   1 
ATOM   393  O O   . VAL   A 1 89  ? 3.86272   -20.46194 -7.49629  1.000 61.35072  ? 666 VAL   A O   1 
ATOM   394  C CB  . VAL   A 1 89  ? 2.20763   -18.92633 -9.62761  1.000 60.16853  ? 666 VAL   A CB  1 
ATOM   395  C CG1 . VAL   A 1 89  ? 3.56351   -18.29349 -9.37608  1.000 63.91738  ? 666 VAL   A CG1 1 
ATOM   396  C CG2 . VAL   A 1 89  ? 2.24686   -19.76313 -10.85923 1.000 56.14137  ? 666 VAL   A CG2 1 
ATOM   397  N N   . VAL   A 1 90  ? 2.48783   -22.08005 -8.25269  1.000 58.22551  ? 667 VAL   A N   1 
ATOM   398  C CA  . VAL   A 1 90  ? 3.35416   -23.15221 -7.77735  1.000 59.53598  ? 667 VAL   A CA  1 
ATOM   399  C C   . VAL   A 1 90  ? 4.52048   -23.36133 -8.73049  1.000 57.83620  ? 667 VAL   A C   1 
ATOM   400  O O   . VAL   A 1 90  ? 5.68183   -23.41090 -8.31108  1.000 58.16580  ? 667 VAL   A O   1 
ATOM   401  C CB  . VAL   A 1 90  ? 2.54609   -24.44863 -7.58559  1.000 58.81054  ? 667 VAL   A CB  1 
ATOM   402  C CG1 . VAL   A 1 90  ? 3.43795   -25.53217 -7.00677  1.000 60.97822  ? 667 VAL   A CG1 1 
ATOM   403  C CG2 . VAL   A 1 90  ? 1.36719   -24.18826 -6.67116  1.000 61.34219  ? 667 VAL   A CG2 1 
ATOM   404  N N   . GLN   A 1 91  ? 4.22689   -23.48825 -10.01630 1.000 52.83652  ? 668 GLN   A N   1 
ATOM   405  C CA  . GLN   A 1 91  ? 5.23012   -23.75308 -11.03935 1.000 53.30620  ? 668 GLN   A CA  1 
ATOM   406  C C   . GLN   A 1 91  ? 5.65042   -22.46654 -11.73809 1.000 52.42864  ? 668 GLN   A C   1 
ATOM   407  O O   . GLN   A 1 91  ? 4.81224   -21.61218 -12.05364 1.000 51.05076  ? 668 GLN   A O   1 
ATOM   408  C CB  . GLN   A 1 91  ? 4.70393   -24.73624 -12.08332 1.000 49.71904  ? 668 GLN   A CB  1 
ATOM   409  C CG  . GLN   A 1 91  ? 4.45506   -26.11591 -11.54560 1.000 52.55525  ? 668 GLN   A CG  1 
ATOM   410  C CD  . GLN   A 1 91  ? 4.09198   -27.08789 -12.63079 1.000 50.41835  ? 668 GLN   A CD  1 
ATOM   411  O OE1 . GLN   A 1 91  ? 2.95554   -27.10459 -13.10956 1.000 49.06960  ? 668 GLN   A OE1 1 
ATOM   412  N NE2 . GLN   A 1 91  ? 5.06074   -27.90694 -13.03939 1.000 50.71736  ? 668 GLN   A NE2 1 
ATOM   413  N N   . THR   A 1 92  ? 6.95264   -22.35376 -11.99782 1.000 47.02085  ? 669 THR   A N   1 
ATOM   414  C CA  . THR   A 1 92  ? 7.49809   -21.22420 -12.74115 1.000 47.00911  ? 669 THR   A CA  1 
ATOM   415  C C   . THR   A 1 92  ? 6.89353   -21.16558 -14.13905 1.000 45.66300  ? 669 THR   A C   1 
ATOM   416  O O   . THR   A 1 92  ? 6.32268   -22.13905 -14.64323 1.000 44.07726  ? 669 THR   A O   1 
ATOM   417  C CB  . THR   A 1 92  ? 9.01884   -21.34706 -12.85993 1.000 47.73304  ? 669 THR   A CB  1 
ATOM   418  O OG1 . THR   A 1 92  ? 9.33442   -22.44545 -13.72741 1.000 46.70460  ? 669 THR   A OG1 1 
ATOM   419  C CG2 . THR   A 1 92  ? 9.63541   -21.61778 -11.50121 1.000 48.12964  ? 669 THR   A CG2 1 
ATOM   420  N N   . LEU   A 1 93  ? 7.05657   -20.01134 -14.78862 1.000 42.83573  ? 670 LEU   A N   1 
ATOM   421  C CA  . LEU   A 1 93  ? 6.63549   -19.90056 -16.18421 1.000 43.28597  ? 670 LEU   A CA  1 
ATOM   422  C C   . LEU   A 1 93  ? 7.28235   -20.99007 -17.03021 1.000 40.88952  ? 670 LEU   A C   1 
ATOM   423  O O   . LEU   A 1 93  ? 6.61570   -21.64965 -17.83344 1.000 39.18661  ? 670 LEU   A O   1 
ATOM   424  C CB  . LEU   A 1 93  ? 6.97195   -18.51130 -16.74342 1.000 40.80516  ? 670 LEU   A CB  1 
ATOM   425  C CG  . LEU   A 1 93  ? 6.55978   -18.21324 -18.19671 1.000 40.78695  ? 670 LEU   A CG  1 
ATOM   426  C CD1 . LEU   A 1 93  ? 5.04258   -18.28325 -18.39707 1.000 39.05656  ? 670 LEU   A CD1 1 
ATOM   427  C CD2 . LEU   A 1 93  ? 7.07959   -16.84855 -18.62126 1.000 40.32167  ? 670 LEU   A CD2 1 
ATOM   428  N N   . GLU   A 1 94  ? 8.58774   -21.18729 -16.86406 1.000 50.86973  ? 671 GLU   A N   1 
ATOM   429  C CA  . GLU   A 1 94  ? 9.28909   -22.19626 -17.64688 1.000 50.43200  ? 671 GLU   A CA  1 
ATOM   430  C C   . GLU   A 1 94  ? 8.64162   -23.56702 -17.47718 1.000 49.86034  ? 671 GLU   A C   1 
ATOM   431  O O   . GLU   A 1 94  ? 8.42366   -24.28824 -18.45344 1.000 48.22966  ? 671 GLU   A O   1 
ATOM   432  C CB  . GLU   A 1 94  ? 10.76424  -22.24122 -17.24191 1.000 52.62397  ? 671 GLU   A CB  1 
ATOM   433  C CG  . GLU   A 1 94  ? 11.54091  -20.94827 -17.49332 1.000 55.54046  ? 671 GLU   A CG  1 
ATOM   434  C CD  . GLU   A 1 94  ? 10.98253  -19.72617 -16.72894 1.000 60.30419  ? 671 GLU   A CD  1 
ATOM   435  O OE1 . GLU   A 1 94  ? 10.59471  -19.86475 -15.54107 1.000 57.57494  ? 671 GLU   A OE1 1 
ATOM   436  O OE2 . GLU   A 1 94  ? 10.92298  -18.61991 -17.32712 1.000 63.40186  ? 671 GLU   A OE2 1 
ATOM   437  N N   . GLU   A 1 95  ? 8.32288   -23.94164 -16.23737 1.000 44.15713  ? 672 GLU   A N   1 
ATOM   438  C CA  . GLU   A 1 95  ? 7.75726   -25.26461 -15.98459 1.000 44.16172  ? 672 GLU   A CA  1 
ATOM   439  C C   . GLU   A 1 95  ? 6.37353   -25.40291 -16.60185 1.000 43.52426  ? 672 GLU   A C   1 
ATOM   440  O O   . GLU   A 1 95  ? 6.04816   -26.43432 -17.20595 1.000 42.43991  ? 672 GLU   A O   1 
ATOM   441  C CB  . GLU   A 1 95  ? 7.68829   -25.51829 -14.48786 1.000 43.56339  ? 672 GLU   A CB  1 
ATOM   442  C CG  . GLU   A 1 95  ? 9.02692   -25.58631 -13.84237 1.000 46.48115  ? 672 GLU   A CG  1 
ATOM   443  C CD  . GLU   A 1 95  ? 8.91875   -25.71470 -12.35767 1.000 49.30157  ? 672 GLU   A CD  1 
ATOM   444  O OE1 . GLU   A 1 95  ? 7.95669   -25.16222 -11.79134 1.000 50.02563  ? 672 GLU   A OE1 1 
ATOM   445  O OE2 . GLU   A 1 95  ? 9.78653   -26.37302 -11.75381 1.000 51.87465  ? 672 GLU   A OE2 1 
ATOM   446  N N   . ARG   A 1 96  ? 5.53035   -24.38154 -16.42812 1.000 44.42670  ? 673 ARG   A N   1 
ATOM   447  C CA  . ARG   A 1 96  ? 4.15746   -24.46828 -16.91360 1.000 42.94055  ? 673 ARG   A CA  1 
ATOM   448  C C   . ARG   A 1 96  ? 4.13249   -24.46458 -18.42896 1.000 42.47303  ? 673 ARG   A C   1 
ATOM   449  O O   . ARG   A 1 96  ? 3.29422   -25.12977 -19.04858 1.000 42.42525  ? 673 ARG   A O   1 
ATOM   450  C CB  . ARG   A 1 96  ? 3.32488   -23.30598 -16.36564 1.000 43.73260  ? 673 ARG   A CB  1 
ATOM   451  C CG  . ARG   A 1 96  ? 3.37327   -23.17557 -14.85022 1.000 45.15239  ? 673 ARG   A CG  1 
ATOM   452  C CD  . ARG   A 1 96  ? 2.47079   -22.04908 -14.31558 1.000 45.10885  ? 673 ARG   A CD  1 
ATOM   453  N NE  . ARG   A 1 96  ? 3.19375   -20.79545 -14.10565 1.000 45.16871  ? 673 ARG   A NE  1 
ATOM   454  C CZ  . ARG   A 1 96  ? 2.93337   -19.66243 -14.74819 1.000 46.70990  ? 673 ARG   A CZ  1 
ATOM   455  N NH1 . ARG   A 1 96  ? 1.96543   -19.58339 -15.64856 1.000 43.65603  ? 673 ARG   A NH1 1 
ATOM   456  N NH2 . ARG   A 1 96  ? 3.65423   -18.57613 -14.47079 1.000 47.96823  ? 673 ARG   A NH2 1 
ATOM   457  N N   . THR   A 1 97  ? 5.05406   -23.72631 -19.04018 1.000 39.94337  ? 674 THR   A N   1 
ATOM   458  C CA  . THR   A 1 97  ? 5.14139   -23.69675 -20.49156 1.000 40.80064  ? 674 THR   A CA  1 
ATOM   459  C C   . THR   A 1 97  ? 5.67807   -25.02175 -21.02149 1.000 41.20539  ? 674 THR   A C   1 
ATOM   460  O O   . THR   A 1 97  ? 5.12688   -25.60129 -21.96708 1.000 37.26701  ? 674 THR   A O   1 
ATOM   461  C CB  . THR   A 1 97  ? 6.03162   -22.53280 -20.91624 1.000 40.80533  ? 674 THR   A CB  1 
ATOM   462  O OG1 . THR   A 1 97  ? 5.42910   -21.30655 -20.47882 1.000 43.62760  ? 674 THR   A OG1 1 
ATOM   463  C CG2 . THR   A 1 97  ? 6.23245   -22.51874 -22.42842 1.000 39.16038  ? 674 THR   A CG2 1 
ATOM   464  N N   . GLU   A 1 98  ? 6.74485   -25.53156 -20.40864 1.000 45.84117  ? 675 GLU   A N   1 
ATOM   465  C CA  . GLU   A 1 98  ? 7.28117   -26.81016 -20.85648 1.000 46.32116  ? 675 GLU   A CA  1 
ATOM   466  C C   . GLU   A 1 98  ? 6.21230   -27.89772 -20.81660 1.000 45.66734  ? 675 GLU   A C   1 
ATOM   467  O O   . GLU   A 1 98  ? 6.09773   -28.69690 -21.75128 1.000 47.34833  ? 675 GLU   A O   1 
ATOM   468  C CB  . GLU   A 1 98  ? 8.49406   -27.20599 -20.01702 1.000 47.66221  ? 675 GLU   A CB  1 
ATOM   469  C CG  . GLU   A 1 98  ? 9.41629   -28.10734 -20.78096 1.000 49.41414  ? 675 GLU   A CG  1 
ATOM   470  C CD  . GLU   A 1 98  ? 10.26823  -28.96277 -19.88963 1.000 54.14263  ? 675 GLU   A CD  1 
ATOM   471  O OE1 . GLU   A 1 98  ? 10.84917  -28.42105 -18.92696 1.000 54.32863  ? 675 GLU   A OE1 1 
ATOM   472  O OE2 . GLU   A 1 98  ? 10.35528  -30.18140 -20.16425 1.000 55.76330  ? 675 GLU   A OE2 1 
ATOM   473  N N   . THR   A 1 99  ? 5.40770   -27.93195 -19.75399 1.000 38.91439  ? 676 THR   A N   1 
ATOM   474  C CA  . THR   A 1 99  ? 4.32002   -28.90839 -19.67247 1.000 41.00646  ? 676 THR   A CA  1 
ATOM   475  C C   . THR   A 1 99  ? 3.34609   -28.77092 -20.84788 1.000 41.30112  ? 676 THR   A C   1 
ATOM   476  O O   . THR   A 1 99  ? 2.97789   -29.76771 -21.49086 1.000 40.25220  ? 676 THR   A O   1 
ATOM   477  C CB  . THR   A 1 99  ? 3.59048   -28.75202 -18.33418 1.000 40.80072  ? 676 THR   A CB  1 
ATOM   478  O OG1 . THR   A 1 99  ? 4.54695   -28.80828 -17.26388 1.000 41.28769  ? 676 THR   A OG1 1 
ATOM   479  C CG2 . THR   A 1 99  ? 2.54217   -29.84347 -18.14640 1.000 39.90291  ? 676 THR   A CG2 1 
ATOM   480  N N   . LEU   A 1 100 ? 2.91494   -27.54172 -21.14253 1.000 42.09014  ? 677 LEU   A N   1 
ATOM   481  C CA  . LEU   A 1 100 ? 1.97208   -27.31965 -22.23488 1.000 40.21719  ? 677 LEU   A CA  1 
ATOM   482  C C   . LEU   A 1 100 ? 2.54766   -27.78379 -23.56506 1.000 39.55142  ? 677 LEU   A C   1 
ATOM   483  O O   . LEU   A 1 100 ? 1.81595   -28.29400 -24.42461 1.000 39.31045  ? 677 LEU   A O   1 
ATOM   484  C CB  . LEU   A 1 100 ? 1.60032   -25.83895 -22.30119 1.000 37.90430  ? 677 LEU   A CB  1 
ATOM   485  C CG  . LEU   A 1 100 ? 0.61608   -25.39020 -21.22412 1.000 40.34758  ? 677 LEU   A CG  1 
ATOM   486  C CD1 . LEU   A 1 100 ? 0.48987   -23.87862 -21.19324 1.000 38.21615  ? 677 LEU   A CD1 1 
ATOM   487  C CD2 . LEU   A 1 100 ? -0.75107  -26.04210 -21.42309 1.000 36.43151  ? 677 LEU   A CD2 1 
ATOM   488  N N   . LYS   A 1 101 ? 3.85577   -27.60634 -23.75460 1.000 38.59164  ? 678 LYS   A N   1 
ATOM   489  C CA  . LYS   A 1 101 ? 4.52719   -28.08541 -24.95717 1.000 40.27155  ? 678 LYS   A CA  1 
ATOM   490  C C   . LYS   A 1 101 ? 4.17947   -29.53983 -25.26221 1.000 41.65572  ? 678 LYS   A C   1 
ATOM   491  O O   . LYS   A 1 101 ? 4.07728   -29.91436 -26.43486 1.000 40.63106  ? 678 LYS   A O   1 
ATOM   492  C CB  . LYS   A 1 101 ? 6.05199   -27.92008 -24.80986 1.000 40.75451  ? 678 LYS   A CB  1 
ATOM   493  C CG  . LYS   A 1 101 ? 6.87624   -28.43400 -26.00673 1.000 40.26538  ? 678 LYS   A CG  1 
ATOM   494  C CD  . LYS   A 1 101 ? 8.37303   -28.52845 -25.69820 1.000 43.20671  ? 678 LYS   A CD  1 
ATOM   495  C CE  . LYS   A 1 101 ? 8.68097   -29.59995 -24.64771 1.000 44.30020  ? 678 LYS   A CE  1 
ATOM   496  N NZ  . LYS   A 1 101 ? 10.13399  -29.69169 -24.39853 1.000 47.00460  ? 678 LYS   A NZ  1 
ATOM   497  N N   . HIS   A 1 102 ? 3.98215   -30.37209 -24.22980 1.000 37.39252  ? 679 HIS   A N   1 
ATOM   498  C CA  . HIS   A 1 102 ? 3.72676   -31.79225 -24.43008 1.000 37.66693  ? 679 HIS   A CA  1 
ATOM   499  C C   . HIS   A 1 102 ? 2.27050   -32.12942 -24.71264 1.000 37.75400  ? 679 HIS   A C   1 
ATOM   500  O O   . HIS   A 1 102 ? 1.97341   -33.30954 -24.92286 1.000 38.57831  ? 679 HIS   A O   1 
ATOM   501  C CB  . HIS   A 1 102 ? 4.16903   -32.58861 -23.20428 1.000 38.91770  ? 679 HIS   A CB  1 
ATOM   502  C CG  . HIS   A 1 102 ? 5.64544   -32.62976 -23.03189 1.000 40.32198  ? 679 HIS   A CG  1 
ATOM   503  N ND1 . HIS   A 1 102 ? 6.32370   -31.74812 -22.22002 1.000 41.14998  ? 679 HIS   A ND1 1 
ATOM   504  C CD2 . HIS   A 1 102 ? 6.58287   -33.42228 -23.59354 1.000 40.24924  ? 679 HIS   A CD2 1 
ATOM   505  C CE1 . HIS   A 1 102 ? 7.61765   -32.01080 -22.27493 1.000 41.52191  ? 679 HIS   A CE1 1 
ATOM   506  N NE2 . HIS   A 1 102 ? 7.80163   -33.01545 -23.11006 1.000 43.19320  ? 679 HIS   A NE2 1 
ATOM   507  N N   . ILE   A 1 103 ? 1.36386   -31.15905 -24.68382 1.000 40.58236  ? 680 ILE   A N   1 
ATOM   508  C CA  . ILE   A 1 103 ? -0.06290  -31.42626 -24.81624 1.000 39.05794  ? 680 ILE   A CA  1 
ATOM   509  C C   . ILE   A 1 103 ? -0.41095  -31.39354 -26.29861 1.000 41.16362  ? 680 ILE   A C   1 
ATOM   510  O O   . ILE   A 1 103 ? -0.03381  -30.45278 -27.01577 1.000 37.93055  ? 680 ILE   A O   1 
ATOM   511  C CB  . ILE   A 1 103 ? -0.89107  -30.41291 -23.99856 1.000 40.19163  ? 680 ILE   A CB  1 
ATOM   512  C CG1 . ILE   A 1 103 ? -0.52551  -30.49920 -22.50522 1.000 40.18928  ? 680 ILE   A CG1 1 
ATOM   513  C CG2 . ILE   A 1 103 ? -2.40243  -30.62017 -24.16259 1.000 38.22386  ? 680 ILE   A CG2 1 
ATOM   514  C CD1 . ILE   A 1 103 ? -0.60084  -31.89943 -21.92193 1.000 43.28442  ? 680 ILE   A CD1 1 
ATOM   515  N N   . ARG   A 1 104 ? -1.10278  -32.44809 -26.76047 1.000 39.10637  ? 681 ARG   A N   1 
ATOM   516  C CA  . ARG   A 1 104 ? -1.34624  -32.65766 -28.18755 1.000 38.54011  ? 681 ARG   A CA  1 
ATOM   517  C C   . ARG   A 1 104 ? -2.03294  -31.46532 -28.83853 1.000 38.49976  ? 681 ARG   A C   1 
ATOM   518  O O   . ARG   A 1 104 ? -1.74802  -31.12730 -29.99108 1.000 37.11085  ? 681 ARG   A O   1 
ATOM   519  C CB  . ARG   A 1 104 ? -2.21369  -33.89775 -28.38896 1.000 40.42533  ? 681 ARG   A CB  1 
ATOM   520  C CG  . ARG   A 1 104 ? -2.44374  -34.26543 -29.85272 1.000 39.27293  ? 681 ARG   A CG  1 
ATOM   521  C CD  . ARG   A 1 104 ? -3.54725  -35.31136 -29.98525 1.000 43.34299  ? 681 ARG   A CD  1 
ATOM   522  N NE  . ARG   A 1 104 ? -3.31997  -36.47611 -29.13470 1.000 44.36677  ? 681 ARG   A NE  1 
ATOM   523  C CZ  . ARG   A 1 104 ? -2.51652  -37.48547 -29.43966 1.000 45.11156  ? 681 ARG   A CZ  1 
ATOM   524  N NH1 . ARG   A 1 104 ? -1.82643  -37.50162 -30.56783 1.000 43.13680  ? 681 ARG   A NH1 1 
ATOM   525  N NH2 . ARG   A 1 104 ? -2.40594  -38.50821 -28.59161 1.000 44.65024  ? 681 ARG   A NH2 1 
ATOM   526  N N   . TRP   A 1 105 ? -2.97089  -30.84999 -28.13929 1.000 35.00804  ? 682 TRP   A N   1 
ATOM   527  C CA  . TRP   A 1 105 ? -3.82804  -29.84337 -28.73820 1.000 36.51956  ? 682 TRP   A CA  1 
ATOM   528  C C   . TRP   A 1 105 ? -3.15136  -28.49529 -28.90890 1.000 36.16164  ? 682 TRP   A C   1 
ATOM   529  O O   . TRP   A 1 105 ? -3.69003  -27.64042 -29.62154 1.000 34.94139  ? 682 TRP   A O   1 
ATOM   530  C CB  . TRP   A 1 105 ? -5.05491  -29.66231 -27.86748 1.000 33.83592  ? 682 TRP   A CB  1 
ATOM   531  C CG  . TRP   A 1 105 ? -5.47135  -30.94218 -27.29545 1.000 37.71227  ? 682 TRP   A CG  1 
ATOM   532  C CD1 . TRP   A 1 105 ? -5.43122  -31.29844 -25.98848 1.000 38.80197  ? 682 TRP   A CD1 1 
ATOM   533  C CD2 . TRP   A 1 105 ? -5.94647  -32.09095 -28.01486 1.000 38.97825  ? 682 TRP   A CD2 1 
ATOM   534  N NE1 . TRP   A 1 105 ? -5.87134  -32.58022 -25.83612 1.000 38.80195  ? 682 TRP   A NE1 1 
ATOM   535  C CE2 . TRP   A 1 105 ? -6.20126  -33.09392 -27.06458 1.000 41.14487  ? 682 TRP   A CE2 1 
ATOM   536  C CE3 . TRP   A 1 105 ? -6.19958  -32.35833 -29.36751 1.000 40.42832  ? 682 TRP   A CE3 1 
ATOM   537  C CZ2 . TRP   A 1 105 ? -6.69343  -34.35946 -27.42081 1.000 41.00417  ? 682 TRP   A CZ2 1 
ATOM   538  C CZ3 . TRP   A 1 105 ? -6.68843  -33.61327 -29.72558 1.000 41.56391  ? 682 TRP   A CZ3 1 
ATOM   539  C CH2 . TRP   A 1 105 ? -6.94168  -34.59431 -28.75178 1.000 41.97113  ? 682 TRP   A CH2 1 
ATOM   540  N N   . VAL   A 1 106 ? -2.01933  -28.27496 -28.25709 1.000 40.37665  ? 683 VAL   A N   1 
ATOM   541  C CA  . VAL   A 1 106 ? -1.36430  -26.97271 -28.27374 1.000 39.93836  ? 683 VAL   A CA  1 
ATOM   542  C C   . VAL   A 1 106 ? -0.51503  -26.88181 -29.53096 1.000 41.86483  ? 683 VAL   A C   1 
ATOM   543  O O   . VAL   A 1 106 ? 0.42051   -27.66996 -29.72525 1.000 42.03313  ? 683 VAL   A O   1 
ATOM   544  C CB  . VAL   A 1 106 ? -0.52011  -26.77700 -27.00892 1.000 38.65643  ? 683 VAL   A CB  1 
ATOM   545  C CG1 . VAL   A 1 106 ? 0.12861   -25.41678 -27.02463 1.000 40.33499  ? 683 VAL   A CG1 1 
ATOM   546  C CG2 . VAL   A 1 106 ? -1.40345  -26.93672 -25.79924 1.000 38.82680  ? 683 VAL   A CG2 1 
ATOM   547  N N   . ASP   A 1 107 ? -0.85725  -25.94774 -30.40864 1.000 36.49319  ? 684 ASP   A N   1 
ATOM   548  C CA  . ASP   A 1 107 ? -0.06215  -25.77572 -31.61166 1.000 37.82375  ? 684 ASP   A CA  1 
ATOM   549  C C   . ASP   A 1 107 ? 1.03563   -24.73575 -31.43316 1.000 39.63574  ? 684 ASP   A C   1 
ATOM   550  O O   . ASP   A 1 107 ? 2.12272   -24.89318 -32.00132 1.000 37.40748  ? 684 ASP   A O   1 
ATOM   551  C CB  . ASP   A 1 107 ? -0.97502  -25.38660 -32.77832 1.000 40.11315  ? 684 ASP   A CB  1 
ATOM   552  C CG  . ASP   A 1 107 ? -2.04892  -26.43057 -33.04066 1.000 42.43871  ? 684 ASP   A CG  1 
ATOM   553  O OD1 . ASP   A 1 107 ? -1.69333  -27.62674 -33.09271 1.000 41.06885  ? 684 ASP   A OD1 1 
ATOM   554  O OD2 . ASP   A 1 107 ? -3.23970  -26.06574 -33.16445 1.000 40.35255  ? 684 ASP   A OD2 1 
ATOM   555  N N   . GLU   A 1 108 ? 0.78080   -23.69319 -30.63952 1.000 40.42654  ? 685 GLU   A N   1 
ATOM   556  C CA  . GLU   A 1 108 ? 1.70415   -22.57672 -30.47808 1.000 40.43412  ? 685 GLU   A CA  1 
ATOM   557  C C   . GLU   A 1 108 ? 1.52067   -22.00607 -29.07685 1.000 39.38101  ? 685 GLU   A C   1 
ATOM   558  O O   . GLU   A 1 108 ? 0.41022   -22.00925 -28.54648 1.000 40.44505  ? 685 GLU   A O   1 
ATOM   559  C CB  . GLU   A 1 108 ? 1.45647   -21.48214 -31.53057 1.000 41.36338  ? 685 GLU   A CB  1 
ATOM   560  C CG  . GLU   A 1 108 ? 1.47383   -21.94142 -32.98043 1.000 43.28624  ? 685 GLU   A CG  1 
ATOM   561  C CD  . GLU   A 1 108 ? 1.46468   -20.76894 -33.95509 1.000 47.62222  ? 685 GLU   A CD  1 
ATOM   562  O OE1 . GLU   A 1 108 ? 1.15959   -19.64027 -33.53136 1.000 50.14189  ? 685 GLU   A OE1 1 
ATOM   563  O OE2 . GLU   A 1 108 ? 1.76464   -20.95321 -35.14891 1.000 50.90255  ? 685 GLU   A OE2 1 
ATOM   564  N N   . ILE   A 1 109 ? 2.59968   -21.50981 -28.47587 1.000 36.15563  ? 686 ILE   A N   1 
ATOM   565  C CA  . ILE   A 1 109 ? 2.53257   -20.94381 -27.12935 1.000 36.86716  ? 686 ILE   A CA  1 
ATOM   566  C C   . ILE   A 1 109 ? 3.10261   -19.53555 -27.13672 1.000 37.50329  ? 686 ILE   A C   1 
ATOM   567  O O   . ILE   A 1 109 ? 4.17227   -19.28665 -27.70809 1.000 37.96072  ? 686 ILE   A O   1 
ATOM   568  C CB  . ILE   A 1 109 ? 3.26902   -21.81096 -26.09053 1.000 37.59968  ? 686 ILE   A CB  1 
ATOM   569  C CG1 . ILE   A 1 109 ? 2.69841   -23.24102 -26.09298 1.000 36.54142  ? 686 ILE   A CG1 1 
ATOM   570  C CG2 . ILE   A 1 109 ? 3.19362   -21.14204 -24.69986 1.000 35.41063  ? 686 ILE   A CG2 1 
ATOM   571  C CD1 . ILE   A 1 109 ? 3.23630   -24.14906 -24.93244 1.000 37.73613  ? 686 ILE   A CD1 1 
ATOM   572  N N   . ILE   A 1 110 ? 2.38029   -18.62096 -26.50232 1.000 32.82363  ? 687 ILE   A N   1 
ATOM   573  C CA  . ILE   A 1 110 ? 2.86118   -17.28020 -26.20434 1.000 34.78744  ? 687 ILE   A CA  1 
ATOM   574  C C   . ILE   A 1 110 ? 3.15849   -17.28040 -24.71097 1.000 36.97682  ? 687 ILE   A C   1 
ATOM   575  O O   . ILE   A 1 110 ? 2.23862   -17.37411 -23.88699 1.000 36.58338  ? 687 ILE   A O   1 
ATOM   576  C CB  . ILE   A 1 110 ? 1.83253   -16.20837 -26.59547 1.000 34.47210  ? 687 ILE   A CB  1 
ATOM   577  C CG1 . ILE   A 1 110 ? 1.55186   -16.28837 -28.10184 1.000 34.93093  ? 687 ILE   A CG1 1 
ATOM   578  C CG2 . ILE   A 1 110 ? 2.33469   -14.81001 -26.24573 1.000 36.81895  ? 687 ILE   A CG2 1 
ATOM   579  C CD1 . ILE   A 1 110 ? 0.53336   -15.28488 -28.58203 1.000 35.35205  ? 687 ILE   A CD1 1 
ATOM   580  N N   . SER   A 1 111 ? 4.44473   -17.21120 -24.36202 1.000 35.69291  ? 688 SER   A N   1 
ATOM   581  C CA  . SER   A 1 111 ? 4.90387   -17.37110 -22.98655 1.000 37.03647  ? 688 SER   A CA  1 
ATOM   582  C C   . SER   A 1 111 ? 6.05751   -16.43553 -22.65527 1.000 38.13750  ? 688 SER   A C   1 
ATOM   583  O O   . SER   A 1 111 ? 7.20020   -16.68678 -23.06246 1.000 37.54827  ? 688 SER   A O   1 
ATOM   584  C CB  . SER   A 1 111 ? 5.34745   -18.81385 -22.73468 1.000 38.49443  ? 688 SER   A CB  1 
ATOM   585  O OG  . SER   A 1 111 ? 6.02769   -18.92229 -21.48915 1.000 39.41146  ? 688 SER   A OG  1 
ATOM   586  N N   . PRO   A 1 112 ? 5.82638   -15.39730 -21.84733 1.000 39.96180  ? 689 PRO   A N   1 
ATOM   587  C CA  . PRO   A 1 112 ? 4.55545   -15.12828 -21.17656 1.000 39.92425  ? 689 PRO   A CA  1 
ATOM   588  C C   . PRO   A 1 112 ? 3.59160   -14.42661 -22.10292 1.000 39.62667  ? 689 PRO   A C   1 
ATOM   589  O O   . PRO   A 1 112 ? 4.01867   -13.87986 -23.11361 1.000 40.32966  ? 689 PRO   A O   1 
ATOM   590  C CB  . PRO   A 1 112 ? 4.96060   -14.20345 -20.03220 1.000 41.27999  ? 689 PRO   A CB  1 
ATOM   591  C CG  . PRO   A 1 112 ? 6.11488   -13.39571 -20.63215 1.000 41.26332  ? 689 PRO   A CG  1 
ATOM   592  C CD  . PRO   A 1 112 ? 6.85271   -14.38870 -21.51108 1.000 41.20969  ? 689 PRO   A CD  1 
ATOM   593  N N   . CYS   A 1 113 ? 2.31729   -14.42545 -21.74912 1.000 39.44539  ? 690 CYS   A N   1 
ATOM   594  C CA  . CYS   A 1 113 ? 1.28809   -13.71590 -22.48094 1.000 40.81875  ? 690 CYS   A CA  1 
ATOM   595  C C   . CYS   A 1 113 ? 0.88762   -12.45841 -21.71906 1.000 41.04118  ? 690 CYS   A C   1 
ATOM   596  O O   . CYS   A 1 113 ? 1.19618   -12.31250 -20.53012 1.000 41.92482  ? 690 CYS   A O   1 
ATOM   597  C CB  . CYS   A 1 113 ? 0.06295   -14.61316 -22.69514 1.000 40.09794  ? 690 CYS   A CB  1 
ATOM   598  S SG  . CYS   A 1 113 ? -0.72030  -15.15691 -21.16585 1.000 38.54507  ? 690 CYS   A SG  1 
ATOM   599  N N   . PRO   A 1 114 ? 0.22168   -11.51407 -22.36873 1.000 43.78935  ? 691 PRO   A N   1 
ATOM   600  C CA  . PRO   A 1 114 ? -0.31302  -10.37971 -21.61356 1.000 43.89193  ? 691 PRO   A CA  1 
ATOM   601  C C   . PRO   A 1 114 ? -1.37568  -10.86969 -20.63508 1.000 46.21811  ? 691 PRO   A C   1 
ATOM   602  O O   . PRO   A 1 114 ? -2.06016  -11.87194 -20.86605 1.000 43.39399  ? 691 PRO   A O   1 
ATOM   603  C CB  . PRO   A 1 114 ? -0.90442  -9.47769  -22.70070 1.000 45.59671  ? 691 PRO   A CB  1 
ATOM   604  C CG  . PRO   A 1 114 ? -1.30609  -10.44598 -23.78148 1.000 46.02564  ? 691 PRO   A CG  1 
ATOM   605  C CD  . PRO   A 1 114 ? -0.20739  -11.48703 -23.77980 1.000 44.78928  ? 691 PRO   A CD  1 
ATOM   606  N N   . TRP   A 1 115 ? -1.48435  -10.17598 -19.50761 1.000 52.67349  ? 692 TRP   A N   1 
ATOM   607  C CA  . TRP   A 1 115 ? -2.52958  -10.54013 -18.57101 1.000 52.55366  ? 692 TRP   A CA  1 
ATOM   608  C C   . TRP   A 1 115 ? -3.90126  -10.26865 -19.16962 1.000 53.81186  ? 692 TRP   A C   1 
ATOM   609  O O   . TRP   A 1 115 ? -4.82346  -11.07665 -19.00813 1.000 54.98477  ? 692 TRP   A O   1 
ATOM   610  C CB  . TRP   A 1 115 ? -2.34553  -9.78498  -17.26233 1.000 56.61207  ? 692 TRP   A CB  1 
ATOM   611  C CG  . TRP   A 1 115 ? -3.18508  -10.30109 -16.11518 1.000 60.12168  ? 692 TRP   A CG  1 
ATOM   612  C CD1 . TRP   A 1 115 ? -4.30927  -9.71412  -15.58244 1.000 60.09653  ? 692 TRP   A CD1 1 
ATOM   613  C CD2 . TRP   A 1 115 ? -2.94546  -11.48298 -15.33763 1.000 57.76551  ? 692 TRP   A CD2 1 
ATOM   614  N NE1 . TRP   A 1 115 ? -4.77995  -10.46608 -14.52996 1.000 60.15239  ? 692 TRP   A NE1 1 
ATOM   615  C CE2 . TRP   A 1 115 ? -3.96552  -11.55926 -14.36406 1.000 59.95599  ? 692 TRP   A CE2 1 
ATOM   616  C CE3 . TRP   A 1 115 ? -1.96709  -12.48186 -15.36733 1.000 58.58410  ? 692 TRP   A CE3 1 
ATOM   617  C CZ2 . TRP   A 1 115 ? -4.03065  -12.59598 -13.42633 1.000 59.27528  ? 692 TRP   A CZ2 1 
ATOM   618  C CZ3 . TRP   A 1 115 ? -2.04045  -13.51739 -14.43557 1.000 57.97014  ? 692 TRP   A CZ3 1 
ATOM   619  C CH2 . TRP   A 1 115 ? -3.06207  -13.56043 -13.47924 1.000 58.73929  ? 692 TRP   A CH2 1 
ATOM   620  N N   . VAL   A 1 116 ? -4.05104  -9.16013  -19.89054 1.000 51.19826  ? 693 VAL   A N   1 
ATOM   621  C CA  . VAL   A 1 116 ? -5.32540  -8.77436  -20.48601 1.000 51.59798  ? 693 VAL   A CA  1 
ATOM   622  C C   . VAL   A 1 116 ? -5.22214  -8.86719  -21.99696 1.000 50.25719  ? 693 VAL   A C   1 
ATOM   623  O O   . VAL   A 1 116 ? -4.31520  -8.28009  -22.59874 1.000 50.27436  ? 693 VAL   A O   1 
ATOM   624  C CB  . VAL   A 1 116 ? -5.73914  -7.35200  -20.08256 1.000 53.78741  ? 693 VAL   A CB  1 
ATOM   625  C CG1 . VAL   A 1 116 ? -4.62675  -6.37752  -20.44090 1.000 55.67656  ? 693 VAL   A CG1 1 
ATOM   626  C CG2 . VAL   A 1 116 ? -7.03892  -6.98526  -20.79323 1.000 52.35823  ? 693 VAL   A CG2 1 
ATOM   627  N N   . VAL   A 1 117 ? -6.17288  -9.57355  -22.60908 1.000 49.79841  ? 694 VAL   A N   1 
ATOM   628  C CA  . VAL   A 1 117 ? -6.30090  -9.54684  -24.05749 1.000 48.91501  ? 694 VAL   A CA  1 
ATOM   629  C C   . VAL   A 1 117 ? -6.81426  -8.18633  -24.50101 1.000 49.43154  ? 694 VAL   A C   1 
ATOM   630  O O   . VAL   A 1 117 ? -7.79604  -7.65821  -23.95780 1.000 49.47223  ? 694 VAL   A O   1 
ATOM   631  C CB  . VAL   A 1 117 ? -7.23691  -10.65471 -24.55042 1.000 48.78244  ? 694 VAL   A CB  1 
ATOM   632  C CG1 . VAL   A 1 117 ? -7.52984  -10.44139 -26.02943 1.000 46.82271  ? 694 VAL   A CG1 1 
ATOM   633  C CG2 . VAL   A 1 117 ? -6.60763  -12.01045 -24.30777 1.000 46.80190  ? 694 VAL   A CG2 1 
ATOM   634  N N   . THR   A 1 118 ? -6.16472  -7.62485  -25.50759 1.000 48.94326  ? 695 THR   A N   1 
ATOM   635  C CA  . THR   A 1 118 ? -6.55788  -6.38168  -26.14206 1.000 50.92399  ? 695 THR   A CA  1 
ATOM   636  C C   . THR   A 1 118 ? -6.87135  -6.61350  -27.61021 1.000 50.05035  ? 695 THR   A C   1 
ATOM   637  O O   . THR   A 1 118 ? -6.41429  -7.59783  -28.20903 1.000 50.49264  ? 695 THR   A O   1 
ATOM   638  C CB  . THR   A 1 118 ? -5.43184  -5.35703  -26.04665 1.000 52.36955  ? 695 THR   A CB  1 
ATOM   639  O OG1 . THR   A 1 118 ? -4.31585  -5.86106  -26.78954 1.000 50.08350  ? 695 THR   A OG1 1 
ATOM   640  C CG2 . THR   A 1 118 ? -5.03545  -5.15790  -24.59996 1.000 52.54207  ? 695 THR   A CG2 1 
ATOM   641  N N   . PRO   A 1 119 ? -7.61024  -5.70355  -28.23577 1.000 53.57226  ? 696 PRO   A N   1 
ATOM   642  C CA  . PRO   A 1 119 ? -7.79566  -5.82379  -29.68941 1.000 53.18231  ? 696 PRO   A CA  1 
ATOM   643  C C   . PRO   A 1 119 ? -6.47639  -5.76828  -30.45041 1.000 51.78278  ? 696 PRO   A C   1 
ATOM   644  O O   . PRO   A 1 119 ? -6.31724  -6.48499  -31.44849 1.000 51.42497  ? 696 PRO   A O   1 
ATOM   645  C CB  . PRO   A 1 119 ? -8.72904  -4.64465  -30.01762 1.000 52.80457  ? 696 PRO   A CB  1 
ATOM   646  C CG  . PRO   A 1 119 ? -9.42542  -4.33728  -28.69574 1.000 53.45491  ? 696 PRO   A CG  1 
ATOM   647  C CD  . PRO   A 1 119 ? -8.36766  -4.57457  -27.66128 1.000 52.44616  ? 696 PRO   A CD  1 
ATOM   648  N N   . GLU   A 1 120 ? -5.51330  -4.95854  -29.98610 1.000 50.71900  ? 697 GLU   A N   1 
ATOM   649  C CA  . GLU   A 1 120 ? -4.20912  -4.88856  -30.64254 1.000 51.74180  ? 697 GLU   A CA  1 
ATOM   650  C C   . GLU   A 1 120 ? -3.51744  -6.24758  -30.64822 1.000 51.61787  ? 697 GLU   A C   1 
ATOM   651  O O   . GLU   A 1 120 ? -2.97597  -6.67032  -31.67567 1.000 52.82927  ? 697 GLU   A O   1 
ATOM   652  C CB  . GLU   A 1 120 ? -3.32080  -3.85562  -29.95237 1.000 50.34889  ? 697 GLU   A CB  1 
ATOM   653  C CG  . GLU   A 1 120 ? -3.75721  -2.42619  -30.15132 1.000 54.10444  ? 697 GLU   A CG  1 
ATOM   654  C CD  . GLU   A 1 120 ? -5.10964  -2.13620  -29.52778 1.000 54.88581  ? 697 GLU   A CD  1 
ATOM   655  O OE1 . GLU   A 1 120 ? -5.64548  -3.02357  -28.80949 1.000 54.25738  ? 697 GLU   A OE1 1 
ATOM   656  O OE2 . GLU   A 1 120 ? -5.63274  -1.02088  -29.76283 1.000 56.31899  ? 697 GLU   A OE2 1 
ATOM   657  N N   . PHE   A 1 121 ? -3.50745  -6.92632  -29.49760 1.000 42.24773  ? 698 PHE   A N   1 
ATOM   658  C CA  . PHE   A 1 121 ? -2.98877  -8.29307  -29.39591 1.000 42.09111  ? 698 PHE   A CA  1 
ATOM   659  C C   . PHE   A 1 121 ? -3.64606  -9.22373  -30.41304 1.000 42.67887  ? 698 PHE   A C   1 
ATOM   660  O O   . PHE   A 1 121 ? -2.96509  -10.00681 -31.09274 1.000 41.13831  ? 698 PHE   A O   1 
ATOM   661  C CB  . PHE   A 1 121 ? -3.21141  -8.80157  -27.96830 1.000 42.13409  ? 698 PHE   A CB  1 
ATOM   662  C CG  . PHE   A 1 121 ? -2.68521  -10.19509 -27.70312 1.000 40.05017  ? 698 PHE   A CG  1 
ATOM   663  C CD1 . PHE   A 1 121 ? -1.36456  -10.38963 -27.34523 1.000 41.07232  ? 698 PHE   A CD1 1 
ATOM   664  C CD2 . PHE   A 1 121 ? -3.52349  -11.29272 -27.75917 1.000 40.67882  ? 698 PHE   A CD2 1 
ATOM   665  C CE1 . PHE   A 1 121 ? -0.87389  -11.66354 -27.07567 1.000 40.45832  ? 698 PHE   A CE1 1 
ATOM   666  C CE2 . PHE   A 1 121 ? -3.04452  -12.57048 -27.48127 1.000 39.27953  ? 698 PHE   A CE2 1 
ATOM   667  C CZ  . PHE   A 1 121 ? -1.71031  -12.75062 -27.13847 1.000 37.78748  ? 698 PHE   A CZ  1 
ATOM   668  N N   . LEU   A 1 122 ? -4.97379  -9.17441  -30.51969 1.000 44.39654  ? 699 LEU   A N   1 
ATOM   669  C CA  . LEU   A 1 122 ? -5.65631  -10.05045 -31.46643 1.000 45.02113  ? 699 LEU   A CA  1 
ATOM   670  C C   . LEU   A 1 122 ? -5.18376  -9.79940  -32.88913 1.000 44.96153  ? 699 LEU   A C   1 
ATOM   671  O O   . LEU   A 1 122 ? -5.00116  -10.74640 -33.66075 1.000 43.01956  ? 699 LEU   A O   1 
ATOM   672  C CB  . LEU   A 1 122 ? -7.16709  -9.85505  -31.38324 1.000 43.84103  ? 699 LEU   A CB  1 
ATOM   673  C CG  . LEU   A 1 122 ? -7.76457  -10.08058 -30.01000 1.000 45.56083  ? 699 LEU   A CG  1 
ATOM   674  C CD1 . LEU   A 1 122 ? -9.25372  -9.76676  -30.08041 1.000 46.74555  ? 699 LEU   A CD1 1 
ATOM   675  C CD2 . LEU   A 1 122 ? -7.50125  -11.52300 -29.57036 1.000 44.04907  ? 699 LEU   A CD2 1 
ATOM   676  N N   . GLU   A 1 123 ? -5.01385  -8.52681  -33.26012 1.000 53.36355  ? 700 GLU   A N   1 
ATOM   677  C CA  . GLU   A 1 123 ? -4.54201  -8.18094  -34.59580 1.000 54.51219  ? 700 GLU   A CA  1 
ATOM   678  C C   . GLU   A 1 123 ? -3.10823  -8.64289  -34.80394 1.000 55.89784  ? 700 GLU   A C   1 
ATOM   679  O O   . GLU   A 1 123 ? -2.78567  -9.26350  -35.82247 1.000 55.08988  ? 700 GLU   A O   1 
ATOM   680  C CB  . GLU   A 1 123 ? -4.64150  -6.66754  -34.80702 1.000 55.54680  ? 700 GLU   A CB  1 
ATOM   681  C CG  . GLU   A 1 123 ? -6.02541  -6.15439  -35.19295 1.000 57.44016  ? 700 GLU   A CG  1 
ATOM   682  C CD  . GLU   A 1 123 ? -6.26201  -6.20522  -36.70402 1.000 61.23346  ? 700 GLU   A CD  1 
ATOM   683  O OE1 . GLU   A 1 123 ? -6.10282  -7.29552  -37.29788 1.000 61.56831  ? 700 GLU   A OE1 1 
ATOM   684  O OE2 . GLU   A 1 123 ? -6.58101  -5.15302  -37.30735 1.000 62.88090  ? 700 GLU   A OE2 1 
ATOM   685  N N   . LYS   A 1 124 ? -2.23055  -8.31686  -33.85388 1.000 47.47740  ? 701 LYS   A N   1 
ATOM   686  C CA  . LYS   A 1 124 ? -0.82854  -8.71833  -33.94067 1.000 51.65127  ? 701 LYS   A CA  1 
ATOM   687  C C   . LYS   A 1 124 ? -0.68255  -10.20827 -34.24821 1.000 49.98270  ? 701 LYS   A C   1 
ATOM   688  O O   . LYS   A 1 124 ? 0.09478   -10.59927 -35.12851 1.000 50.90581  ? 701 LYS   A O   1 
ATOM   689  C CB  . LYS   A 1 124 ? -0.11527  -8.36180  -32.63381 1.000 53.00671  ? 701 LYS   A CB  1 
ATOM   690  C CG  . LYS   A 1 124 ? 1.28022   -8.94710  -32.46271 1.000 53.11663  ? 701 LYS   A CG  1 
ATOM   691  C CD  . LYS   A 1 124 ? 2.01860   -8.24492  -31.31650 1.000 53.75229  ? 701 LYS   A CD  1 
ATOM   692  C CE  . LYS   A 1 124 ? 3.35361   -8.92080  -31.01454 1.000 53.42874  ? 701 LYS   A CE  1 
ATOM   693  N NZ  . LYS   A 1 124 ? 4.13866   -8.16015  -29.99824 1.000 50.79223  ? 701 LYS   A NZ  1 
ATOM   694  N N   . TYR   A 1 125 ? -1.40405  -11.05913 -33.52300 1.000 44.56149  ? 702 TYR   A N   1 
ATOM   695  C CA  . TYR   A 1 125 ? -1.25523  -12.50114 -33.68073 1.000 45.69428  ? 702 TYR   A CA  1 
ATOM   696  C C   . TYR   A 1 125 ? -2.31772  -13.10635 -34.60271 1.000 43.38879  ? 702 TYR   A C   1 
ATOM   697  O O   . TYR   A 1 125 ? -2.40954  -14.33667 -34.69938 1.000 41.77536  ? 702 TYR   A O   1 
ATOM   698  C CB  . TYR   A 1 125 ? -1.26082  -13.18473 -32.30532 1.000 44.16499  ? 702 TYR   A CB  1 
ATOM   699  C CG  . TYR   A 1 125 ? -0.02548  -12.85251 -31.48791 1.000 43.74470  ? 702 TYR   A CG  1 
ATOM   700  C CD1 . TYR   A 1 125 ? 1.15336   -13.57396 -31.64767 1.000 44.09736  ? 702 TYR   A CD1 1 
ATOM   701  C CD2 . TYR   A 1 125 ? -0.03470  -11.81073 -30.56494 1.000 43.39965  ? 702 TYR   A CD2 1 
ATOM   702  C CE1 . TYR   A 1 125 ? 2.31314   -13.26388 -30.90493 1.000 44.93163  ? 702 TYR   A CE1 1 
ATOM   703  C CE2 . TYR   A 1 125 ? 1.10444   -11.48950 -29.82421 1.000 46.60538  ? 702 TYR   A CE2 1 
ATOM   704  C CZ  . TYR   A 1 125 ? 2.27824   -12.21827 -29.99545 1.000 46.57326  ? 702 TYR   A CZ  1 
ATOM   705  O OH  . TYR   A 1 125 ? 3.40542   -11.89063 -29.25557 1.000 45.47629  ? 702 TYR   A OH  1 
ATOM   706  N N   . LYS   A 1 126 ? -3.09740  -12.27018 -35.29221 1.000 51.10529  ? 703 LYS   A N   1 
ATOM   707  C CA  . LYS   A 1 126 ? -4.11898  -12.72309 -36.23933 1.000 50.05316  ? 703 LYS   A CA  1 
ATOM   708  C C   . LYS   A 1 126 ? -5.01434  -13.79130 -35.60897 1.000 47.83809  ? 703 LYS   A C   1 
ATOM   709  O O   . LYS   A 1 126 ? -5.34436  -14.81021 -36.21911 1.000 47.05983  ? 703 LYS   A O   1 
ATOM   710  C CB  . LYS   A 1 126 ? -3.47388  -13.22463 -37.53382 1.000 49.19408  ? 703 LYS   A CB  1 
ATOM   711  C CG  . LYS   A 1 126 ? -2.67570  -12.15265 -38.28974 1.000 52.24156  ? 703 LYS   A CG  1 
ATOM   712  C CD  . LYS   A 1 126 ? -3.54886  -10.95174 -38.59910 1.000 52.91976  ? 703 LYS   A CD  1 
ATOM   713  C CE  . LYS   A 1 126 ? -2.77608  -9.83865  -39.29489 1.000 58.14027  ? 703 LYS   A CE  1 
ATOM   714  N NZ  . LYS   A 1 126 ? -3.61571  -8.60824  -39.49351 1.000 56.71925  ? 703 LYS   A NZ  1 
ATOM   715  N N   . ILE   A 1 127 ? -5.41339  -13.53368 -34.36499 1.000 41.54512  ? 704 ILE   A N   1 
ATOM   716  C CA  . ILE   A 1 127 ? -6.28400  -14.41982 -33.59712 1.000 42.23276  ? 704 ILE   A CA  1 
ATOM   717  C C   . ILE   A 1 127 ? -7.73011  -14.19880 -34.02418 1.000 41.99326  ? 704 ILE   A C   1 
ATOM   718  O O   . ILE   A 1 127 ? -8.18423  -13.05480 -34.14993 1.000 42.69820  ? 704 ILE   A O   1 
ATOM   719  C CB  . ILE   A 1 127 ? -6.11415  -14.15222 -32.09639 1.000 42.59649  ? 704 ILE   A CB  1 
ATOM   720  C CG1 . ILE   A 1 127 ? -4.72414  -14.61178 -31.63068 1.000 42.67886  ? 704 ILE   A CG1 1 
ATOM   721  C CG2 . ILE   A 1 127 ? -7.25274  -14.77661 -31.29876 1.000 40.16601  ? 704 ILE   A CG2 1 
ATOM   722  C CD1 . ILE   A 1 127 ? -4.38994  -14.19201 -30.20988 1.000 41.85137  ? 704 ILE   A CD1 1 
ATOM   723  N N   . ASP   A 1 128 ? -8.45452  -15.29050 -34.26465 1.000 45.67258  ? 705 ASP   A N   1 
ATOM   724  C CA  . ASP   A 1 128 ? -9.85232  -15.20087 -34.68867 1.000 42.77005  ? 705 ASP   A CA  1 
ATOM   725  C C   . ASP   A 1 128 ? -10.82490 -15.32413 -33.52963 1.000 44.43586  ? 705 ASP   A C   1 
ATOM   726  O O   . ASP   A 1 128 ? -11.86939 -14.66374 -33.54163 1.000 45.05503  ? 705 ASP   A O   1 
ATOM   727  C CB  . ASP   A 1 128 ? -10.18159 -16.29722 -35.71177 1.000 40.75966  ? 705 ASP   A CB  1 
ATOM   728  C CG  . ASP   A 1 128 ? -9.41910  -16.13007 -37.00881 1.000 42.02755  ? 705 ASP   A CG  1 
ATOM   729  O OD1 . ASP   A 1 128 ? -9.55844  -15.06737 -37.64612 1.000 40.83175  ? 705 ASP   A OD1 1 
ATOM   730  O OD2 . ASP   A 1 128 ? -8.65320  -17.04951 -37.37645 1.000 38.79334  ? 705 ASP   A OD2 1 
ATOM   731  N N   . TYR   A 1 129 ? -10.50135 -16.16433 -32.53920 1.000 40.43217  ? 706 TYR   A N   1 
ATOM   732  C CA  . TYR   A 1 129 ? -11.35248 -16.42792 -31.38749 1.000 40.27074  ? 706 TYR   A CA  1 
ATOM   733  C C   . TYR   A 1 129 ? -10.50660 -16.55247 -30.12899 1.000 43.02385  ? 706 TYR   A C   1 
ATOM   734  O O   . TYR   A 1 129 ? -9.39608  -17.10106 -30.15524 1.000 40.00166  ? 706 TYR   A O   1 
ATOM   735  C CB  . TYR   A 1 129 ? -12.15769 -17.72740 -31.55013 1.000 40.53861  ? 706 TYR   A CB  1 
ATOM   736  C CG  . TYR   A 1 129 ? -13.07961 -17.74651 -32.73763 1.000 41.28256  ? 706 TYR   A CG  1 
ATOM   737  C CD1 . TYR   A 1 129 ? -14.37071 -17.26271 -32.63297 1.000 42.57650  ? 706 TYR   A CD1 1 
ATOM   738  C CD2 . TYR   A 1 129 ? -12.66081 -18.25752 -33.96104 1.000 37.80182  ? 706 TYR   A CD2 1 
ATOM   739  C CE1 . TYR   A 1 129 ? -15.23057 -17.28658 -33.70668 1.000 41.45188  ? 706 TYR   A CE1 1 
ATOM   740  C CE2 . TYR   A 1 129 ? -13.51829 -18.27620 -35.05332 1.000 37.44284  ? 706 TYR   A CE2 1 
ATOM   741  C CZ  . TYR   A 1 129 ? -14.79981 -17.79062 -34.91566 1.000 39.25471  ? 706 TYR   A CZ  1 
ATOM   742  O OH  . TYR   A 1 129 ? -15.66360 -17.79998 -35.99095 1.000 37.32330  ? 706 TYR   A OH  1 
ATOM   743  N N   . VAL   A 1 130 ? -11.05730 -16.06349 -29.02570 1.000 36.09593  ? 707 VAL   A N   1 
ATOM   744  C CA  . VAL   A 1 130 ? -10.51400 -16.29096 -27.69935 1.000 36.71194  ? 707 VAL   A CA  1 
ATOM   745  C C   . VAL   A 1 130 ? -11.36347 -17.36523 -27.05706 1.000 39.54848  ? 707 VAL   A C   1 
ATOM   746  O O   . VAL   A 1 130 ? -12.59456 -17.23780 -27.01481 1.000 39.75827  ? 707 VAL   A O   1 
ATOM   747  C CB  . VAL   A 1 130 ? -10.51320 -15.00595 -26.85222 1.000 40.29806  ? 707 VAL   A CB  1 
ATOM   748  C CG1 . VAL   A 1 130 ? -10.15721 -15.33622 -25.41354 1.000 39.40089  ? 707 VAL   A CG1 1 
ATOM   749  C CG2 . VAL   A 1 130 ? -9.52647  -14.00104 -27.41463 1.000 37.87404  ? 707 VAL   A CG2 1 
ATOM   750  N N   . ALA   A 1 131 ? -10.71767 -18.43437 -26.58316 1.000 40.11100  ? 708 ALA   A N   1 
ATOM   751  C CA  . ALA   A 1 131 ? -11.40034 -19.55160 -25.93663 1.000 42.34422  ? 708 ALA   A CA  1 
ATOM   752  C C   . ALA   A 1 131 ? -11.02861 -19.58223 -24.46281 1.000 45.56492  ? 708 ALA   A C   1 
ATOM   753  O O   . ALA   A 1 131 ? -9.83667  -19.57603 -24.11278 1.000 44.02240  ? 708 ALA   A O   1 
ATOM   754  C CB  . ALA   A 1 131 ? -11.04331 -20.88831 -26.59656 1.000 40.70850  ? 708 ALA   A CB  1 
ATOM   755  N N   . HIS   A 1 132 ? -12.04399 -19.61613 -23.60340 1.000 41.55269  ? 709 HIS   A N   1 
ATOM   756  C CA  . HIS   A 1 132 ? -11.82990 -19.50821 -22.16879 1.000 43.71211  ? 709 HIS   A CA  1 
ATOM   757  C C   . HIS   A 1 132 ? -13.11726 -19.91806 -21.48021 1.000 45.52628  ? 709 HIS   A C   1 
ATOM   758  O O   . HIS   A 1 132 ? -14.20260 -19.80392 -22.05724 1.000 46.25243  ? 709 HIS   A O   1 
ATOM   759  C CB  . HIS   A 1 132 ? -11.43098 -18.08007 -21.76274 1.000 45.64228  ? 709 HIS   A CB  1 
ATOM   760  C CG  . HIS   A 1 132 ? -10.69237 -17.99597 -20.46007 1.000 45.91698  ? 709 HIS   A CG  1 
ATOM   761  N ND1 . HIS   A 1 132 ? -11.33366 -17.95788 -19.23778 1.000 45.03014  ? 709 HIS   A ND1 1 
ATOM   762  C CD2 . HIS   A 1 132 ? -9.36369  -17.93009 -20.19254 1.000 43.94185  ? 709 HIS   A CD2 1 
ATOM   763  C CE1 . HIS   A 1 132 ? -10.43121 -17.87683 -18.27414 1.000 46.78524  ? 709 HIS   A CE1 1 
ATOM   764  N NE2 . HIS   A 1 132 ? -9.22938  -17.85176 -18.82814 1.000 44.79487  ? 709 HIS   A NE2 1 
ATOM   765  N N   . ASP   A 1 133 ? -12.98916 -20.41708 -20.25646 1.000 57.93158  ? 710 ASP   A N   1 
ATOM   766  C CA  . ASP   A 1 133 ? -14.19626 -20.72013 -19.51815 1.000 60.38546  ? 710 ASP   A CA  1 
ATOM   767  C C   . ASP   A 1 133 ? -14.84928 -19.41994 -19.05068 1.000 64.19953  ? 710 ASP   A C   1 
ATOM   768  O O   . ASP   A 1 133 ? -14.21426 -18.36264 -18.96290 1.000 62.48989  ? 710 ASP   A O   1 
ATOM   769  C CB  . ASP   A 1 133 ? -13.90877 -21.68387 -18.35591 1.000 61.77765  ? 710 ASP   A CB  1 
ATOM   770  C CG  . ASP   A 1 133 ? -12.97716 -21.10622 -17.29267 1.000 63.02201  ? 710 ASP   A CG  1 
ATOM   771  O OD1 . ASP   A 1 133 ? -12.57264 -19.92500 -17.38636 1.000 64.14394  ? 710 ASP   A OD1 1 
ATOM   772  O OD2 . ASP   A 1 133 ? -12.65360 -21.85069 -16.33270 1.000 65.73487  ? 710 ASP   A OD2 1 
ATOM   773  N N   . ASP   A 1 134 ? -16.14929 -19.50740 -18.78544 1.000 74.21855  ? 711 ASP   A N   1 
ATOM   774  C CA  . ASP   A 1 134 ? -17.01111 -18.35454 -18.54169 1.000 74.83514  ? 711 ASP   A CA  1 
ATOM   775  C C   . ASP   A 1 134 ? -17.55448 -18.48491 -17.12257 1.000 75.95636  ? 711 ASP   A C   1 
ATOM   776  O O   . ASP   A 1 134 ? -18.60931 -19.08359 -16.90869 1.000 76.88836  ? 711 ASP   A O   1 
ATOM   777  C CB  . ASP   A 1 134 ? -18.13813 -18.30857 -19.58545 1.000 76.76520  ? 711 ASP   A CB  1 
ATOM   778  C CG  . ASP   A 1 134 ? -18.47163 -16.89642 -20.03882 1.000 78.98104  ? 711 ASP   A CG  1 
ATOM   779  O OD1 . ASP   A 1 134 ? -17.82539 -15.93953 -19.56921 1.000 78.44217  ? 711 ASP   A OD1 1 
ATOM   780  O OD2 . ASP   A 1 134 ? -19.38427 -16.74604 -20.87800 1.000 81.41223  ? 711 ASP   A OD2 1 
ATOM   781  N N   . ILE   A 1 135 ? -16.82797 -17.93450 -16.15693 1.000 80.29416  ? 712 ILE   A N   1 
ATOM   782  C CA  . ILE   A 1 135 ? -17.22867 -18.01682 -14.76165 1.000 82.20187  ? 712 ILE   A CA  1 
ATOM   783  C C   . ILE   A 1 135 ? -17.88985 -16.70875 -14.33319 1.000 84.90067  ? 712 ILE   A C   1 
ATOM   784  O O   . ILE   A 1 135 ? -19.09885 -16.65724 -14.09882 1.000 85.49237  ? 712 ILE   A O   1 
ATOM   785  C CB  . ILE   A 1 135 ? -16.02618 -18.35488 -13.85496 1.000 81.26413  ? 712 ILE   A CB  1 
ATOM   786  N N   . ASP   A 1 144 ? -18.33750 -8.58721  -16.57660 1.000 65.22968  ? 739 ASP   A N   1 
ATOM   787  C CA  . ASP   A 1 144 ? -18.07666 -9.54311  -17.65316 1.000 63.63128  ? 739 ASP   A CA  1 
ATOM   788  C C   . ASP   A 1 144 ? -16.86617 -9.11547  -18.47546 1.000 63.47306  ? 739 ASP   A C   1 
ATOM   789  O O   . ASP   A 1 144 ? -16.98617 -8.37105  -19.44976 1.000 63.43458  ? 739 ASP   A O   1 
ATOM   790  C CB  . ASP   A 1 144 ? -19.30477 -9.68982  -18.55318 1.000 63.53248  ? 739 ASP   A CB  1 
ATOM   791  C CG  . ASP   A 1 144 ? -19.17846 -10.84661 -19.54482 1.000 66.76050  ? 739 ASP   A CG  1 
ATOM   792  O OD1 . ASP   A 1 144 ? -18.10024 -11.49780 -19.60076 1.000 65.54034  ? 739 ASP   A OD1 1 
ATOM   793  O OD2 . ASP   A 1 144 ? -20.16856 -11.09983 -20.27403 1.000 65.69267  ? 739 ASP   A OD2 1 
ATOM   794  N N   . ILE   A 1 145 ? -15.68831 -9.59609  -18.07554 1.000 65.02329  ? 740 ILE   A N   1 
ATOM   795  C CA  . ILE   A 1 145 ? -14.44310 -9.19605  -18.71530 1.000 62.82215  ? 740 ILE   A CA  1 
ATOM   796  C C   . ILE   A 1 145 ? -14.41993 -9.53644  -20.19566 1.000 63.47431  ? 740 ILE   A C   1 
ATOM   797  O O   . ILE   A 1 145 ? -13.57955 -9.00924  -20.93530 1.000 61.42455  ? 740 ILE   A O   1 
ATOM   798  C CB  . ILE   A 1 145 ? -13.23252 -9.84976  -18.00497 1.000 62.53365  ? 740 ILE   A CB  1 
ATOM   799  C CG1 . ILE   A 1 145 ? -13.35668 -9.72752  -16.48621 1.000 64.10036  ? 740 ILE   A CG1 1 
ATOM   800  C CG2 . ILE   A 1 145 ? -11.94123 -9.17503  -18.42749 1.000 65.76160  ? 740 ILE   A CG2 1 
ATOM   801  C CD1 . ILE   A 1 145 ? -13.36767 -8.31439  -15.99317 1.000 60.05884  ? 740 ILE   A CD1 1 
ATOM   802  N N   . TYR   A 1 146 ? -15.32612 -10.40456 -20.64519 1.000 68.17444  ? 741 TYR   A N   1 
ATOM   803  C CA  . TYR   A 1 146 ? -15.34224 -10.90199 -22.01239 1.000 66.97228  ? 741 TYR   A CA  1 
ATOM   804  C C   . TYR   A 1 146 ? -16.43769 -10.27164 -22.86845 1.000 65.69174  ? 741 TYR   A C   1 
ATOM   805  O O   . TYR   A 1 146 ? -16.61374 -10.66628 -24.02566 1.000 65.78517  ? 741 TYR   A O   1 
ATOM   806  C CB  . TYR   A 1 146 ? -15.48015 -12.42488 -21.98999 1.000 67.69981  ? 741 TYR   A CB  1 
ATOM   807  C CG  . TYR   A 1 146 ? -14.26080 -13.12560 -21.40396 1.000 69.65017  ? 741 TYR   A CG  1 
ATOM   808  C CD1 . TYR   A 1 146 ? -13.00736 -13.00973 -22.01673 1.000 67.19289  ? 741 TYR   A CD1 1 
ATOM   809  C CD2 . TYR   A 1 146 ? -14.35856 -13.90191 -20.24856 1.000 68.89935  ? 741 TYR   A CD2 1 
ATOM   810  C CE1 . TYR   A 1 146 ? -11.88373 -13.64439 -21.50108 1.000 66.28265  ? 741 TYR   A CE1 1 
ATOM   811  C CE2 . TYR   A 1 146 ? -13.23326 -14.54304 -19.71830 1.000 67.91922  ? 741 TYR   A CE2 1 
ATOM   812  C CZ  . TYR   A 1 146 ? -11.99903 -14.40846 -20.35375 1.000 68.35486  ? 741 TYR   A CZ  1 
ATOM   813  O OH  . TYR   A 1 146 ? -10.87737 -15.04356 -19.84091 1.000 68.12849  ? 741 TYR   A OH  1 
ATOM   814  N N   . ALA   A 1 147 ? -17.16347 -9.28808  -22.33357 1.000 49.81474  ? 742 ALA   A N   1 
ATOM   815  C CA  . ALA   A 1 147 ? -18.26363 -8.68102  -23.07791 1.000 49.17815  ? 742 ALA   A CA  1 
ATOM   816  C C   . ALA   A 1 147 ? -17.80640 -8.20626  -24.45325 1.000 46.69185  ? 742 ALA   A C   1 
ATOM   817  O O   . ALA   A 1 147 ? -18.45530 -8.48846  -25.46659 1.000 45.70061  ? 742 ALA   A O   1 
ATOM   818  C CB  . ALA   A 1 147 ? -18.86838 -7.52665  -22.27328 1.000 49.49175  ? 742 ALA   A CB  1 
ATOM   819  N N   . TRP   A 1 148 ? -16.67376 -7.49910  -24.51633 1.000 49.68028  ? 743 TRP   A N   1 
ATOM   820  C CA  . TRP   A 1 148 ? -16.25535 -6.95585  -25.80474 1.000 48.24876  ? 743 TRP   A CA  1 
ATOM   821  C C   . TRP   A 1 148 ? -15.89398 -8.05856  -26.78684 1.000 48.06967  ? 743 TRP   A C   1 
ATOM   822  O O   . TRP   A 1 148 ? -16.08712 -7.89178  -27.99681 1.000 47.08076  ? 743 TRP   A O   1 
ATOM   823  C CB  . TRP   A 1 148 ? -15.08668 -5.99043  -25.63637 1.000 48.36671  ? 743 TRP   A CB  1 
ATOM   824  C CG  . TRP   A 1 148 ? -13.80024 -6.63989  -25.25328 1.000 47.66188  ? 743 TRP   A CG  1 
ATOM   825  C CD1 . TRP   A 1 148 ? -13.40290 -6.99083  -23.99505 1.000 48.44292  ? 743 TRP   A CD1 1 
ATOM   826  C CD2 . TRP   A 1 148 ? -12.72522 -7.01007  -26.13589 1.000 48.06833  ? 743 TRP   A CD2 1 
ATOM   827  N NE1 . TRP   A 1 148 ? -12.14782 -7.55879  -24.03770 1.000 48.72530  ? 743 TRP   A NE1 1 
ATOM   828  C CE2 . TRP   A 1 148 ? -11.71001 -7.58243  -25.33747 1.000 47.57367  ? 743 TRP   A CE2 1 
ATOM   829  C CE3 . TRP   A 1 148 ? -12.52582 -6.91242  -27.51959 1.000 47.19440  ? 743 TRP   A CE3 1 
ATOM   830  C CZ2 . TRP   A 1 148 ? -10.51332 -8.05356  -25.87368 1.000 47.51771  ? 743 TRP   A CZ2 1 
ATOM   831  C CZ3 . TRP   A 1 148 ? -11.33580 -7.38103  -28.05236 1.000 47.73555  ? 743 TRP   A CZ3 1 
ATOM   832  C CH2 . TRP   A 1 148 ? -10.34377 -7.94535  -27.22872 1.000 48.49690  ? 743 TRP   A CH2 1 
ATOM   833  N N   . LEU   A 1 149 ? -15.37008 -9.18779  -26.30368 1.000 40.65800  ? 744 LEU   A N   1 
ATOM   834  C CA  . LEU   A 1 149 ? -15.10004 -10.28780 -27.22877 1.000 41.02612  ? 744 LEU   A CA  1 
ATOM   835  C C   . LEU   A 1 149 ? -16.39784 -10.87884 -27.75640 1.000 39.22147  ? 744 LEU   A C   1 
ATOM   836  O O   . LEU   A 1 149 ? -16.53015 -11.11805 -28.95799 1.000 37.32786  ? 744 LEU   A O   1 
ATOM   837  C CB  . LEU   A 1 149 ? -14.23071 -11.35829 -26.56337 1.000 39.66519  ? 744 LEU   A CB  1 
ATOM   838  C CG  . LEU   A 1 149 ? -12.75806 -10.90346 -26.45966 1.000 41.12501  ? 744 LEU   A CG  1 
ATOM   839  C CD1 . LEU   A 1 149 ? -12.02776 -11.57151 -25.30666 1.000 38.55342  ? 744 LEU   A CD1 1 
ATOM   840  C CD2 . LEU   A 1 149 ? -11.99559 -11.12613 -27.75128 1.000 36.84779  ? 744 LEU   A CD2 1 
ATOM   841  N N   . LYS   A 1 150 ? -17.37997 -11.09032 -26.88076 1.000 42.88350  ? 745 LYS   A N   1 
ATOM   842  C CA  . LYS   A 1 150 ? -18.66128 -11.62647 -27.32739 1.000 42.97519  ? 745 LYS   A CA  1 
ATOM   843  C C   . LYS   A 1 150 ? -19.33958 -10.67798 -28.31377 1.000 42.67674  ? 745 LYS   A C   1 
ATOM   844  O O   . LYS   A 1 150 ? -19.93510 -11.12351 -29.31038 1.000 40.96640  ? 745 LYS   A O   1 
ATOM   845  C CB  . LYS   A 1 150 ? -19.56309 -11.89186 -26.11480 1.000 43.38320  ? 745 LYS   A CB  1 
ATOM   846  C CG  . LYS   A 1 150 ? -18.94893 -12.81003 -25.05121 1.000 44.29821  ? 745 LYS   A CG  1 
ATOM   847  C CD  . LYS   A 1 150 ? -19.82125 -12.89389 -23.78194 1.000 48.24990  ? 745 LYS   A CD  1 
ATOM   848  C CE  . LYS   A 1 150 ? -19.20099 -13.85962 -22.74932 1.000 49.79426  ? 745 LYS   A CE  1 
ATOM   849  N NZ  . LYS   A 1 150 ? -20.02167 -14.01388 -21.50154 1.000 51.74633  ? 745 LYS   A NZ  1 
ATOM   850  N N   . ARG   A 1 151 ? -19.25905 -9.36461  -28.05219 1.000 48.85747  ? 746 ARG   A N   1 
ATOM   851  C CA  . ARG   A 1 151 ? -19.89166 -8.38208  -28.93228 1.000 49.80669  ? 746 ARG   A CA  1 
ATOM   852  C C   . ARG   A 1 151 ? -19.31938 -8.44170  -30.33263 1.000 48.48096  ? 746 ARG   A C   1 
ATOM   853  O O   . ARG   A 1 151 ? -20.00083 -8.08312  -31.29820 1.000 48.89730  ? 746 ARG   A O   1 
ATOM   854  C CB  . ARG   A 1 151 ? -19.71542 -6.96036  -28.38754 1.000 49.38654  ? 746 ARG   A CB  1 
ATOM   855  C CG  . ARG   A 1 151 ? -20.72864 -6.54177  -27.35309 1.000 51.61264  ? 746 ARG   A CG  1 
ATOM   856  C CD  . ARG   A 1 151 ? -20.58320 -5.05509  -27.05156 1.000 53.84325  ? 746 ARG   A CD  1 
ATOM   857  N NE  . ARG   A 1 151 ? -19.25754 -4.76846  -26.51446 1.000 54.81053  ? 746 ARG   A NE  1 
ATOM   858  C CZ  . ARG   A 1 151 ? -19.00167 -4.56978  -25.22508 1.000 57.19618  ? 746 ARG   A CZ  1 
ATOM   859  N NH1 . ARG   A 1 151 ? -19.97237 -4.54659  -24.32141 1.000 57.66446  ? 746 ARG   A NH1 1 
ATOM   860  N NH2 . ARG   A 1 151 ? -17.74282 -4.38842  -24.83221 1.000 57.16157  ? 746 ARG   A NH2 1 
ATOM   861  N N   . ALA   A 1 152 ? -18.06360 -8.85026  -30.45246 1.000 47.40796  ? 747 ALA   A N   1 
ATOM   862  C CA  . ALA   A 1 152 ? -17.39175 -8.97871  -31.73370 1.000 48.29483  ? 747 ALA   A CA  1 
ATOM   863  C C   . ALA   A 1 152 ? -17.55747 -10.36708 -32.33323 1.000 46.29714  ? 747 ALA   A C   1 
ATOM   864  O O   . ALA   A 1 152 ? -17.09653 -10.59785 -33.45333 1.000 45.76949  ? 747 ALA   A O   1 
ATOM   865  C CB  . ALA   A 1 152 ? -15.89795 -8.64943  -31.57616 1.000 45.06694  ? 747 ALA   A CB  1 
ATOM   866  N N   . GLY   A 1 153 ? -18.22071 -11.28313 -31.62603 1.000 43.66461  ? 748 GLY   A N   1 
ATOM   867  C CA  . GLY   A 1 153 ? -18.31638 -12.65414 -32.07398 1.000 44.52055  ? 748 GLY   A CA  1 
ATOM   868  C C   . GLY   A 1 153 ? -17.02209 -13.42486 -31.96260 1.000 44.60874  ? 748 GLY   A C   1 
ATOM   869  O O   . GLY   A 1 153 ? -16.85787 -14.44208 -32.64244 1.000 43.02590  ? 748 GLY   A O   1 
ATOM   870  N N   . LYS   A 1 154 ? -16.08750 -12.97090 -31.12837 1.000 44.80383  ? 749 LYS   A N   1 
ATOM   871  C CA  . LYS   A 1 154 ? -14.77468 -13.60032 -31.03514 1.000 43.31989  ? 749 LYS   A CA  1 
ATOM   872  C C   . LYS   A 1 154 ? -14.55963 -14.35428 -29.72578 1.000 46.04327  ? 749 LYS   A C   1 
ATOM   873  O O   . LYS   A 1 154 ? -13.41940 -14.73966 -29.41848 1.000 43.71104  ? 749 LYS   A O   1 
ATOM   874  C CB  . LYS   A 1 154 ? -13.67892 -12.55406 -31.24523 1.000 44.14602  ? 749 LYS   A CB  1 
ATOM   875  C CG  . LYS   A 1 154 ? -13.64332 -12.05541 -32.68838 1.000 43.10607  ? 749 LYS   A CG  1 
ATOM   876  C CD  . LYS   A 1 154 ? -12.57347 -10.99863 -32.95343 1.000 45.50696  ? 749 LYS   A CD  1 
ATOM   877  C CE  . LYS   A 1 154 ? -12.85143 -10.36488 -34.31710 1.000 44.09900  ? 749 LYS   A CE  1 
ATOM   878  N NZ  . LYS   A 1 154 ? -11.99017 -9.18897  -34.61145 1.000 48.63141  ? 749 LYS   A NZ  1 
ATOM   879  N N   . PHE   A 1 155 ? -15.61774 -14.60780 -28.95871 1.000 40.30099  ? 750 PHE   A N   1 
ATOM   880  C CA  . PHE   A 1 155 ? -15.51013 -15.38973 -27.73039 1.000 41.42974  ? 750 PHE   A CA  1 
ATOM   881  C C   . PHE   A 1 155 ? -16.10814 -16.77724 -27.92170 1.000 43.25401  ? 750 PHE   A C   1 
ATOM   882  O O   . PHE   A 1 155 ? -17.26356 -16.90798 -28.33239 1.000 44.18480  ? 750 PHE   A O   1 
ATOM   883  C CB  . PHE   A 1 155 ? -16.20748 -14.70039 -26.56232 1.000 41.44544  ? 750 PHE   A CB  1 
ATOM   884  C CG  . PHE   A 1 155 ? -16.02892 -15.41696 -25.25668 1.000 43.94518  ? 750 PHE   A CG  1 
ATOM   885  C CD1 . PHE   A 1 155 ? -14.78271 -15.46739 -24.64676 1.000 44.30485  ? 750 PHE   A CD1 1 
ATOM   886  C CD2 . PHE   A 1 155 ? -17.09179 -16.04720 -24.63958 1.000 45.57420  ? 750 PHE   A CD2 1 
ATOM   887  C CE1 . PHE   A 1 155 ? -14.60140 -16.12660 -23.43699 1.000 42.69684  ? 750 PHE   A CE1 1 
ATOM   888  C CE2 . PHE   A 1 155 ? -16.91657 -16.71120 -23.43121 1.000 47.37827  ? 750 PHE   A CE2 1 
ATOM   889  C CZ  . PHE   A 1 155 ? -15.66402 -16.74661 -22.83142 1.000 46.48749  ? 750 PHE   A CZ  1 
ATOM   890  N N   . LYS   A 1 156 ? -15.33186 -17.81088 -27.60247 1.000 43.49625  ? 751 LYS   A N   1 
ATOM   891  C CA  . LYS   A 1 156 ? -15.84809 -19.16973 -27.53764 1.000 46.03048  ? 751 LYS   A CA  1 
ATOM   892  C C   . LYS   A 1 156 ? -15.65521 -19.65035 -26.11216 1.000 46.41615  ? 751 LYS   A C   1 
ATOM   893  O O   . LYS   A 1 156 ? -14.52644 -19.66822 -25.60595 1.000 44.16251  ? 751 LYS   A O   1 
ATOM   894  C CB  . LYS   A 1 156 ? -15.14038 -20.10417 -28.52706 1.000 43.77922  ? 751 LYS   A CB  1 
ATOM   895  C CG  . LYS   A 1 156 ? -15.22709 -19.67739 -29.99026 1.000 40.90911  ? 751 LYS   A CG  1 
ATOM   896  C CD  . LYS   A 1 156 ? -16.68270 -19.59356 -30.47337 1.000 43.24820  ? 751 LYS   A CD  1 
ATOM   897  C CE  . LYS   A 1 156 ? -17.17023 -20.92237 -31.00858 1.000 38.67905  ? 751 LYS   A CE  1 
ATOM   898  N NZ  . LYS   A 1 156 ? -18.62603 -20.90681 -31.37514 1.000 41.00136  ? 751 LYS   A NZ  1 
ATOM   899  N N   . ALA   A 1 157 ? -16.74385 -20.02787 -25.46303 1.000 46.58256  ? 752 ALA   A N   1 
ATOM   900  C CA  . ALA   A 1 157 ? -16.65703 -20.48285 -24.08541 1.000 48.47395  ? 752 ALA   A CA  1 
ATOM   901  C C   . ALA   A 1 157 ? -16.27307 -21.95534 -24.04089 1.000 48.08743  ? 752 ALA   A C   1 
ATOM   902  O O   . ALA   A 1 157 ? -16.76723 -22.76731 -24.82450 1.000 47.69288  ? 752 ALA   A O   1 
ATOM   903  C CB  . ALA   A 1 157 ? -17.98039 -20.25186 -23.35934 1.000 49.41353  ? 752 ALA   A CB  1 
ATOM   904  N N   . THR   A 1 158 ? -15.35574 -22.28593 -23.14689 1.000 52.96975  ? 753 THR   A N   1 
ATOM   905  C CA  . THR   A 1 158 ? -15.00113 -23.66458 -22.86313 1.000 52.28034  ? 753 THR   A CA  1 
ATOM   906  C C   . THR   A 1 158 ? -15.40356 -23.97007 -21.42822 1.000 55.52653  ? 753 THR   A C   1 
ATOM   907  O O   . THR   A 1 158 ? -15.43164 -23.07631 -20.57958 1.000 57.31695  ? 753 THR   A O   1 
ATOM   908  C CB  . THR   A 1 158 ? -13.50409 -23.91389 -23.06532 1.000 50.27138  ? 753 THR   A CB  1 
ATOM   909  O OG1 . THR   A 1 158 ? -12.75165 -22.89672 -22.38625 1.000 50.14967  ? 753 THR   A OG1 1 
ATOM   910  C CG2 . THR   A 1 158 ? -13.15550 -23.89063 -24.54626 1.000 48.10163  ? 753 THR   A CG2 1 
ATOM   911  N N   . GLN   A 1 159 ? -15.73323 -25.22838 -21.16000 1.000 74.88388  ? 754 GLN   A N   1 
ATOM   912  C CA  . GLN   A 1 159 ? -16.22651 -25.63000 -19.84964 1.000 74.12620  ? 754 GLN   A CA  1 
ATOM   913  C C   . GLN   A 1 159 ? -15.10869 -26.23297 -19.01200 1.000 74.32235  ? 754 GLN   A C   1 
ATOM   914  O O   . GLN   A 1 159 ? -14.36629 -27.10293 -19.48430 1.000 72.88382  ? 754 GLN   A O   1 
ATOM   915  C CB  . GLN   A 1 159 ? -17.37022 -26.63107 -19.97715 1.000 73.57202  ? 754 GLN   A CB  1 
ATOM   916  C CG  . GLN   A 1 159 ? -18.68244 -25.99524 -20.38205 1.000 75.33025  ? 754 GLN   A CG  1 
ATOM   917  C CD  . GLN   A 1 159 ? -18.66951 -25.51290 -21.81385 1.000 75.68656  ? 754 GLN   A CD  1 
ATOM   918  O OE1 . GLN   A 1 159 ? -17.88307 -25.99222 -22.62974 1.000 76.00195  ? 754 GLN   A OE1 1 
ATOM   919  N NE2 . GLN   A 1 159 ? -19.54154 -24.55802 -22.12961 1.000 76.30665  ? 754 GLN   A NE2 1 
ATOM   920  N N   . ARG   A 1 160 ? -14.98231 -25.74968 -17.77624 1.000 78.51235  ? 755 ARG   A N   1 
ATOM   921  C CA  . ARG   A 1 160 ? -14.24520 -26.49041 -16.76544 1.000 80.53192  ? 755 ARG   A CA  1 
ATOM   922  C C   . ARG   A 1 160 ? -14.90803 -27.84993 -16.59619 1.000 82.67715  ? 755 ARG   A C   1 
ATOM   923  O O   . ARG   A 1 160 ? -16.12852 -27.94312 -16.44118 1.000 83.29720  ? 755 ARG   A O   1 
ATOM   924  C CB  . ARG   A 1 160 ? -14.22861 -25.71894 -15.44113 1.000 78.32438  ? 755 ARG   A CB  1 
ATOM   925  N N   . THR   A 1 161 ? -14.12206 -28.90656 -16.67891 1.000 84.96383  ? 756 THR   A N   1 
ATOM   926  C CA  . THR   A 1 161 ? -14.67706 -30.24562 -16.62498 1.000 86.21550  ? 756 THR   A CA  1 
ATOM   927  C C   . THR   A 1 161 ? -14.27589 -30.90812 -15.31747 1.000 88.44292  ? 756 THR   A C   1 
ATOM   928  O O   . THR   A 1 161 ? -13.65787 -30.29690 -14.43969 1.000 85.83343  ? 756 THR   A O   1 
ATOM   929  C CB  . THR   A 1 161 ? -14.20324 -31.07631 -17.81688 1.000 83.59688  ? 756 THR   A CB  1 
ATOM   930  O OG1 . THR   A 1 161 ? -13.21357 -32.01186 -17.37236 1.000 82.81682  ? 756 THR   A OG1 1 
ATOM   931  C CG2 . THR   A 1 161 ? -13.58188 -30.16895 -18.87594 1.000 82.28744  ? 756 THR   A CG2 1 
ATOM   932  N N   . GLU   A 1 162 ? -14.64846 -32.17524 -15.18967 1.000 123.74174 ? 757 GLU   A N   1 
ATOM   933  C CA  . GLU   A 1 162 ? -14.06270 -33.00503 -14.15204 1.000 122.91972 ? 757 GLU   A CA  1 
ATOM   934  C C   . GLU   A 1 162 ? -12.56558 -33.12154 -14.40979 1.000 120.63151 ? 757 GLU   A C   1 
ATOM   935  O O   . GLU   A 1 162 ? -12.14226 -33.60332 -15.46636 1.000 117.45484 ? 757 GLU   A O   1 
ATOM   936  C CB  . GLU   A 1 162 ? -14.72578 -34.38371 -14.13264 1.000 118.54104 ? 757 GLU   A CB  1 
ATOM   937  N N   . GLY   A 1 163 ? -11.76671 -32.63722 -13.46462 1.000 93.30773  ? 758 GLY   A N   1 
ATOM   938  C CA  . GLY   A 1 163 ? -10.33148 -32.78464 -13.55306 1.000 86.27293  ? 758 GLY   A CA  1 
ATOM   939  C C   . GLY   A 1 163 ? -9.78900  -33.58835 -12.39237 1.000 86.95369  ? 758 GLY   A C   1 
ATOM   940  O O   . GLY   A 1 163 ? -10.11526 -33.31607 -11.23024 1.000 86.46648  ? 758 GLY   A O   1 
ATOM   941  N N   . VAL   A 1 164 ? -8.98211  -34.60302 -12.69356 1.000 85.66473  ? 759 VAL   A N   1 
ATOM   942  C CA  . VAL   A 1 164 ? -8.23430  -35.29280 -11.65278 1.000 86.37695  ? 759 VAL   A CA  1 
ATOM   943  C C   . VAL   A 1 164 ? -7.09652  -34.36501 -11.25231 1.000 85.83590  ? 759 VAL   A C   1 
ATOM   944  O O   . VAL   A 1 164 ? -5.93214  -34.60524 -11.59246 1.000 84.93214  ? 759 VAL   A O   1 
ATOM   945  C CB  . VAL   A 1 164 ? -7.71488  -36.66517 -12.12189 1.000 81.72191  ? 759 VAL   A CB  1 
ATOM   946  N N   . SER   A 1 165 ? -7.42740  -33.27945 -10.55746 1.000 73.60946  ? 760 SER   A N   1 
ATOM   947  C CA  . SER   A 1 165 ? -6.39165  -32.35799 -10.12793 1.000 72.48738  ? 760 SER   A CA  1 
ATOM   948  C C   . SER   A 1 165 ? -5.43501  -33.06253 -9.18111  1.000 72.57950  ? 760 SER   A C   1 
ATOM   949  O O   . SER   A 1 165 ? -5.78385  -34.04190 -8.51701  1.000 72.31914  ? 760 SER   A O   1 
ATOM   950  C CB  . SER   A 1 165 ? -6.99862  -31.14099 -9.44419  1.000 72.61398  ? 760 SER   A CB  1 
ATOM   951  O OG  . SER   A 1 165 ? -7.33622  -31.44266 -8.09993  1.000 74.32586  ? 760 SER   A OG  1 
ATOM   952  N N   . THR   A 1 166 ? -4.20356  -32.56477 -9.14067  1.000 80.57616  ? 761 THR   A N   1 
ATOM   953  C CA  . THR   A 1 166 ? -3.24662  -33.07504 -8.17266  1.000 79.68536  ? 761 THR   A CA  1 
ATOM   954  C C   . THR   A 1 166 ? -3.87985  -33.16034 -6.78896  1.000 78.64517  ? 761 THR   A C   1 
ATOM   955  O O   . THR   A 1 166 ? -3.64712  -34.11952 -6.04691  1.000 79.52791  ? 761 THR   A O   1 
ATOM   956  C CB  . THR   A 1 166 ? -1.99293  -32.19013 -8.16359  1.000 81.55474  ? 761 THR   A CB  1 
ATOM   957  O OG1 . THR   A 1 166 ? -2.36618  -30.82034 -8.35970  1.000 81.97040  ? 761 THR   A OG1 1 
ATOM   958  C CG2 . THR   A 1 166 ? -1.03573  -32.60589 -9.28198  1.000 84.55612  ? 761 THR   A CG2 1 
ATOM   959  N N   . THR   A 1 167 ? -4.72393  -32.18936 -6.44165  1.000 74.17136  ? 762 THR   A N   1 
ATOM   960  C CA  . THR   A 1 167 ? -5.39593  -32.22122 -5.14660  1.000 73.56358  ? 762 THR   A CA  1 
ATOM   961  C C   . THR   A 1 167 ? -6.25577  -33.47217 -5.00968  1.000 73.60039  ? 762 THR   A C   1 
ATOM   962  O O   . THR   A 1 167 ? -6.11011  -34.24491 -4.05718  1.000 72.98888  ? 762 THR   A O   1 
ATOM   963  C CB  . THR   A 1 167 ? -6.24692  -30.96498 -4.96198  1.000 73.90700  ? 762 THR   A CB  1 
ATOM   964  O OG1 . THR   A 1 167 ? -5.41244  -29.80017 -5.04307  1.000 75.03554  ? 762 THR   A OG1 1 
ATOM   965  C CG2 . THR   A 1 167 ? -6.95058  -30.99563 -3.60603  1.000 72.56387  ? 762 THR   A CG2 1 
ATOM   966  N N   . ASP   A 1 168 ? -7.16669  -33.68388 -5.95985  1.000 74.00346  ? 763 ASP   A N   1 
ATOM   967  C CA  . ASP   A 1 168 ? -8.03088  -34.85867 -5.90550  1.000 74.24442  ? 763 ASP   A CA  1 
ATOM   968  C C   . ASP   A 1 168 ? -7.21321  -36.13564 -5.76971  1.000 72.70569  ? 763 ASP   A C   1 
ATOM   969  O O   . ASP   A 1 168 ? -7.63001  -37.08730 -5.09372  1.000 71.45899  ? 763 ASP   A O   1 
ATOM   970  C CB  . ASP   A 1 168 ? -8.90706  -34.91542 -7.15818  1.000 75.22221  ? 763 ASP   A CB  1 
ATOM   971  C CG  . ASP   A 1 168 ? -9.69945  -33.64070 -7.37453  1.000 76.00937  ? 763 ASP   A CG  1 
ATOM   972  O OD1 . ASP   A 1 168 ? -10.20621 -33.07423 -6.37711  1.000 74.35086  ? 763 ASP   A OD1 1 
ATOM   973  O OD2 . ASP   A 1 168 ? -9.81340  -33.21083 -8.54362  1.000 75.72598  ? 763 ASP   A OD2 1 
ATOM   974  N N   . LEU   A 1 169 ? -6.03484  -36.16518 -6.39863  1.000 70.53039  ? 764 LEU   A N   1 
ATOM   975  C CA  . LEU   A 1 169 ? -5.23174  -37.38131 -6.42348  1.000 69.05630  ? 764 LEU   A CA  1 
ATOM   976  C C   . LEU   A 1 169 ? -4.55440  -37.61518 -5.08022  1.000 69.36433  ? 764 LEU   A C   1 
ATOM   977  O O   . LEU   A 1 169 ? -4.57560  -38.73060 -4.54644  1.000 68.78889  ? 764 LEU   A O   1 
ATOM   978  C CB  . LEU   A 1 169 ? -4.20085  -37.30267 -7.55170  1.000 67.22021  ? 764 LEU   A CB  1 
ATOM   979  N N   . ILE   A 1 170 ? -3.94445  -36.57258 -4.51919  1.000 71.26572  ? 765 ILE   A N   1 
ATOM   980  C CA  . ILE   A 1 170 ? -3.31453  -36.70498 -3.21144  1.000 70.62595  ? 765 ILE   A CA  1 
ATOM   981  C C   . ILE   A 1 170 ? -4.35226  -37.08771 -2.16397  1.000 70.60225  ? 765 ILE   A C   1 
ATOM   982  O O   . ILE   A 1 170 ? -4.07967  -37.88621 -1.25957  1.000 70.76703  ? 765 ILE   A O   1 
ATOM   983  C CB  . ILE   A 1 170 ? -2.57823  -35.40487 -2.84663  1.000 70.06778  ? 765 ILE   A CB  1 
ATOM   984  C CG1 . ILE   A 1 170 ? -2.13487  -35.43792 -1.38669  1.000 70.15393  ? 765 ILE   A CG1 1 
ATOM   985  C CG2 . ILE   A 1 170 ? -3.46255  -34.20303 -3.10528  1.000 71.94203  ? 765 ILE   A CG2 1 
ATOM   986  C CD1 . ILE   A 1 170 ? -1.27528  -36.65184 -1.04748  1.000 70.24301  ? 765 ILE   A CD1 1 
ATOM   987  N N   . VAL   A 1 171 ? -5.56065  -36.53155 -2.27508  1.000 70.89309  ? 766 VAL   A N   1 
ATOM   988  C CA  . VAL   A 1 171 ? -6.65301  -36.93535 -1.39169  1.000 71.45608  ? 766 VAL   A CA  1 
ATOM   989  C C   . VAL   A 1 171 ? -6.86437  -38.43662 -1.48827  1.000 73.04771  ? 766 VAL   A C   1 
ATOM   990  O O   . VAL   A 1 171 ? -6.99739  -39.14035 -0.47829  1.000 74.64977  ? 766 VAL   A O   1 
ATOM   991  C CB  . VAL   A 1 171 ? -7.94096  -36.16939 -1.74355  1.000 72.57959  ? 766 VAL   A CB  1 
ATOM   992  C CG1 . VAL   A 1 171 ? -9.16648  -36.96303 -1.31216  1.000 71.66355  ? 766 VAL   A CG1 1 
ATOM   993  C CG2 . VAL   A 1 171 ? -7.93812  -34.80210 -1.09027  1.000 69.94515  ? 766 VAL   A CG2 1 
ATOM   994  N N   . ARG   A 1 172 ? -6.89283  -38.94515 -2.71686  1.000 67.15920  ? 767 ARG   A N   1 
ATOM   995  C CA  . ARG   A 1 172 ? -7.09009  -40.37141 -2.92656  1.000 66.91220  ? 767 ARG   A CA  1 
ATOM   996  C C   . ARG   A 1 172 ? -5.98496  -41.18052 -2.25521  1.000 65.90008  ? 767 ARG   A C   1 
ATOM   997  O O   . ARG   A 1 172 ? -6.24600  -42.22369 -1.64375  1.000 66.17735  ? 767 ARG   A O   1 
ATOM   998  C CB  . ARG   A 1 172 ? -7.15952  -40.65221 -4.43039  1.000 64.50990  ? 767 ARG   A CB  1 
ATOM   999  C CG  . ARG   A 1 172 ? -7.68548  -42.01001 -4.77622  1.000 63.37875  ? 767 ARG   A CG  1 
ATOM   1000 C CD  . ARG   A 1 172 ? -7.63154  -42.25767 -6.25960  1.000 61.52418  ? 767 ARG   A CD  1 
ATOM   1001 N NE  . ARG   A 1 172 ? -8.50796  -41.37826 -7.02589  1.000 60.63641  ? 767 ARG   A NE  1 
ATOM   1002 C CZ  . ARG   A 1 172 ? -8.65591  -41.45206 -8.34393  1.000 60.76506  ? 767 ARG   A CZ  1 
ATOM   1003 N NH1 . ARG   A 1 172 ? -7.99623  -42.34822 -9.06615  1.000 57.34121  ? 767 ARG   A NH1 1 
ATOM   1004 N NH2 . ARG   A 1 172 ? -9.48097  -40.60553 -8.95658  1.000 60.27600  ? 767 ARG   A NH2 1 
ATOM   1005 N N   . ILE   A 1 173 ? -4.74612  -40.70251 -2.33597  1.000 65.46280  ? 768 ILE   A N   1 
ATOM   1006 C CA  . ILE   A 1 173 ? -3.63777  -41.42608 -1.72709  1.000 63.65444  ? 768 ILE   A CA  1 
ATOM   1007 C C   . ILE   A 1 173 ? -3.78901  -41.44082 -0.21771  1.000 68.54390  ? 768 ILE   A C   1 
ATOM   1008 O O   . ILE   A 1 173 ? -3.71905  -42.49827 0.42146   1.000 70.34712  ? 768 ILE   A O   1 
ATOM   1009 C CB  . ILE   A 1 173 ? -2.29753  -40.80298 -2.14696  1.000 63.59317  ? 768 ILE   A CB  1 
ATOM   1010 C CG1 . ILE   A 1 173 ? -2.10295  -40.94527 -3.66385  1.000 62.24121  ? 768 ILE   A CG1 1 
ATOM   1011 C CG2 . ILE   A 1 173 ? -1.15312  -41.43294 -1.35995  1.000 63.75937  ? 768 ILE   A CG2 1 
ATOM   1012 C CD1 . ILE   A 1 173 ? -0.88968  -40.21435 -4.19698  1.000 59.80129  ? 768 ILE   A CD1 1 
ATOM   1013 N N   . LEU   A 1 174 ? -3.99654  -40.26130 0.37687   1.000 74.54697  ? 769 LEU   A N   1 
ATOM   1014 C CA  . LEU   A 1 174 ? -4.01109  -40.15799 1.83165   1.000 75.78471  ? 769 LEU   A CA  1 
ATOM   1015 C C   . LEU   A 1 174 ? -5.18392  -40.91339 2.44010   1.000 77.52660  ? 769 LEU   A C   1 
ATOM   1016 O O   . LEU   A 1 174 ? -5.05682  -41.46561 3.53737   1.000 79.77945  ? 769 LEU   A O   1 
ATOM   1017 C CB  . LEU   A 1 174 ? -4.03527  -38.68787 2.24979   1.000 72.56491  ? 769 LEU   A CB  1 
ATOM   1018 C CG  . LEU   A 1 174 ? -2.79514  -37.90753 1.80520   1.000 71.75735  ? 769 LEU   A CG  1 
ATOM   1019 C CD1 . LEU   A 1 174 ? -2.74164  -36.54303 2.45990   1.000 69.88680  ? 769 LEU   A CD1 1 
ATOM   1020 C CD2 . LEU   A 1 174 ? -1.51432  -38.69555 2.09288   1.000 71.15029  ? 769 LEU   A CD2 1 
ATOM   1021 N N   . LYS   A 1 175 ? -6.32015  -40.97030 1.73831   1.000 78.57760  ? 770 LYS   A N   1 
ATOM   1022 C CA  . LYS   A 1 175 ? -7.48526  -41.67673 2.26226   1.000 79.77543  ? 770 LYS   A CA  1 
ATOM   1023 C C   . LYS   A 1 175 ? -7.15908  -43.12083 2.64261   1.000 83.12962  ? 770 LYS   A C   1 
ATOM   1024 O O   . LYS   A 1 175 ? -7.76214  -43.66746 3.57493   1.000 84.54424  ? 770 LYS   A O   1 
ATOM   1025 C CB  . LYS   A 1 175 ? -8.62416  -41.63155 1.23967   1.000 79.21136  ? 770 LYS   A CB  1 
ATOM   1026 N N   . ASN   A 1 176 ? -6.19999  -43.76083 1.94043   1.000 89.79618  ? 771 ASN   A N   1 
ATOM   1027 C CA  . ASN   A 1 176 ? -5.76002  -45.12237 2.30534   1.000 89.77356  ? 771 ASN   A CA  1 
ATOM   1028 C C   . ASN   A 1 176 ? -4.99309  -45.17015 3.64054   1.000 90.76023  ? 771 ASN   A C   1 
ATOM   1029 O O   . ASN   A 1 176 ? -4.48803  -46.25022 4.00133   1.000 90.73183  ? 771 ASN   A O   1 
ATOM   1030 C CB  . ASN   A 1 176 ? -4.89479  -45.71766 1.19312   1.000 87.70611  ? 771 ASN   A CB  1 
ATOM   1031 N N   . TYR   A 1 177 ? -4.90528  -44.04785 4.35455   1.000 90.66271  ? 772 TYR   A N   1 
ATOM   1032 C CA  . TYR   A 1 177 ? -4.23483  -43.98852 5.65199   1.000 90.04563  ? 772 TYR   A CA  1 
ATOM   1033 C C   . TYR   A 1 177 ? -5.10404  -43.26770 6.69549   1.000 91.84199  ? 772 TYR   A C   1 
ATOM   1034 O O   . TYR   A 1 177 ? -4.97679  -42.05946 6.93685   1.000 90.43973  ? 772 TYR   A O   1 
ATOM   1035 C CB  . TYR   A 1 177 ? -2.87024  -43.30144 5.51741   1.000 88.64931  ? 772 TYR   A CB  1 
ATOM   1036 C CG  . TYR   A 1 177 ? -1.97071  -43.90410 4.45749   1.000 87.36972  ? 772 TYR   A CG  1 
ATOM   1037 C CD1 . TYR   A 1 177 ? -2.11009  -43.54779 3.12636   1.000 86.10355  ? 772 TYR   A CD1 1 
ATOM   1038 C CD2 . TYR   A 1 177 ? -0.97624  -44.81693 4.79063   1.000 87.15788  ? 772 TYR   A CD2 1 
ATOM   1039 C CE1 . TYR   A 1 177 ? -1.29303  -44.08655 2.15075   1.000 86.41365  ? 772 TYR   A CE1 1 
ATOM   1040 C CE2 . TYR   A 1 177 ? -0.15394  -45.36333 3.82141   1.000 85.40970  ? 772 TYR   A CE2 1 
ATOM   1041 C CZ  . TYR   A 1 177 ? -0.31754  -44.99362 2.50102   1.000 86.07226  ? 772 TYR   A CZ  1 
ATOM   1042 O OH  . TYR   A 1 177 ? 0.48782   -45.52940 1.51736   1.000 85.37344  ? 772 TYR   A OH  1 
HETATM 1043 C C1  . BME   B 2 .   ? 2.34110   -9.23438  -26.53842 1.000 48.45185  ? 801 BME   A C1  1 
HETATM 1044 C C2  . BME   B 2 .   ? 2.93840   -10.64464 -26.67279 1.000 46.17185  ? 801 BME   A C2  1 
HETATM 1045 O O1  . BME   B 2 .   ? 2.34263   -8.55580  -27.78799 1.000 50.08185  ? 801 BME   A O1  1 
HETATM 1046 S S2  . BME   B 2 .   ? 3.36276   -11.28459 -25.02480 1.000 63.52185  ? 801 BME   A S2  1 
HETATM 1047 H H11 . BME   B 2 .   ? 2.86847   -8.72628  -25.90232 1.000 58.66185  ? 801 BME   A H11 1 
HETATM 1048 H H12 . BME   B 2 .   ? 1.42801   -9.30620  -26.21901 1.000 58.66185  ? 801 BME   A H12 1 
HETATM 1049 H H21 . BME   B 2 .   ? 3.73893   -10.60718 -27.21928 1.000 55.92185  ? 801 BME   A H21 1 
HETATM 1050 H H22 . BME   B 2 .   ? 2.28969   -11.23338 -27.08926 1.000 55.92185  ? 801 BME   A H22 1 
HETATM 1051 H HO1 . BME   B 2 .   ? 2.45722   -9.13965  -28.39502 1.000 60.61185  ? 801 BME   A HO1 1 
HETATM 1052 H HS2 . BME   B 2 .   ? 2.92706   -10.40368 -24.33557 1.000 76.74185  ? 801 BME   A HS2 1 
HETATM 1053 C C01 . A1IWW C 3 .   ? -5.17255  -14.94281 -15.17223 1.000 56.46185  ? 802 A1IWW A C01 1 
HETATM 1054 C C02 . A1IWW C 3 .   ? -5.59312  -14.47994 -16.51633 1.000 52.46185  ? 802 A1IWW A C02 1 
HETATM 1055 C C03 . A1IWW C 3 .   ? -6.20368  -15.60629 -17.20087 1.000 53.99185  ? 802 A1IWW A C03 1 
HETATM 1056 C C07 . A1IWW C 3 .   ? -4.46319  -13.96107 -17.32559 1.000 52.84185  ? 802 A1IWW A C07 1 
HETATM 1057 N N04 . A1IWW C 3 .   ? -6.76084  -16.59939 -16.54254 1.000 51.83185  ? 802 A1IWW A N04 1 
HETATM 1058 N N06 . A1IWW C 3 .   ? -6.19344  -15.64870 -18.60355 1.000 51.31185  ? 802 A1IWW A N06 1 
HETATM 1059 O O05 . A1IWW C 3 .   ? -7.27740  -17.55709 -17.36350 1.000 51.03185  ? 802 A1IWW A O05 1 
HETATM 1060 O O   . HOH   D 4 .   ? 1.14333   -12.32816 -17.84142 1.000 47.32185  ? 901 HOH   A O   1 
HETATM 1061 O O   . HOH   D 4 .   ? -5.87567  -35.10937 -13.79151 1.000 61.71185  ? 902 HOH   A O   1 
HETATM 1062 O O   . HOH   D 4 .   ? -19.79937 -20.39775 -29.45069 1.000 44.41185  ? 903 HOH   A O   1 
HETATM 1063 O O   . HOH   D 4 .   ? 0.24379   -8.00812  -19.07817 1.000 49.12185  ? 904 HOH   A O   1 
HETATM 1064 O O   . HOH   D 4 .   ? 11.43626  -30.86927 -26.18153 1.000 53.00185  ? 905 HOH   A O   1 
HETATM 1065 O O   . HOH   D 4 .   ? -18.79845 -19.57032 -33.51234 1.000 40.18185  ? 906 HOH   A O   1 
HETATM 1066 O O   . HOH   D 4 .   ? 1.84178   -27.75940 -15.34966 1.000 42.03185  ? 907 HOH   A O   1 
HETATM 1067 O O   . HOH   D 4 .   ? -8.81419  -14.58726 -21.35781 1.000 52.70185  ? 908 HOH   A O   1 
HETATM 1068 O O   . HOH   D 4 .   ? -7.62961  -23.26902 -21.72839 1.000 49.95185  ? 909 HOH   A O   1 
HETATM 1069 O O   . HOH   D 4 .   ? -4.44431  -29.12051 -8.37424  1.000 69.63185  ? 910 HOH   A O   1 
HETATM 1070 O O   . HOH   D 4 .   ? 11.91226  -23.20268 -13.80049 1.000 51.17185  ? 911 HOH   A O   1 
HETATM 1071 O O   . HOH   D 4 .   ? -14.91509 -28.01228 -29.06107 1.000 48.47185  ? 912 HOH   A O   1 
HETATM 1072 O O   . HOH   D 4 .   ? -11.80876 -35.39144 -23.72330 1.000 52.79185  ? 913 HOH   A O   1 
HETATM 1073 O O   . HOH   D 4 .   ? -3.62658  -13.09538 -22.78225 1.000 42.26185  ? 914 HOH   A O   1 
HETATM 1074 O O   . HOH   D 4 .   ? -10.10789 -31.56908 -37.26509 1.000 54.31185  ? 915 HOH   A O   1 
HETATM 1075 O O   . HOH   D 4 .   ? -0.56955  -16.21279 -35.48349 1.000 53.91185  ? 916 HOH   A O   1 
HETATM 1076 O O   . HOH   D 4 .   ? -2.95934  -29.94226 -32.33512 1.000 42.29185  ? 917 HOH   A O   1 
HETATM 1077 O O   . HOH   D 4 .   ? -12.20737 -24.80846 -39.68434 1.000 56.28185  ? 918 HOH   A O   1 
HETATM 1078 O O   . HOH   D 4 .   ? -15.81980 -8.91015  -35.27426 1.000 42.33185  ? 919 HOH   A O   1 
HETATM 1079 O O   . HOH   D 4 .   ? 6.56405   -19.31003 -29.25654 1.000 40.89185  ? 920 HOH   A O   1 
HETATM 1080 O O   . HOH   D 4 .   ? -9.62895  -29.06835 -34.96502 1.000 47.15185  ? 921 HOH   A O   1 
HETATM 1081 O O   . HOH   D 4 .   ? 9.74547   -23.79794 -20.93585 1.000 43.16185  ? 922 HOH   A O   1 
HETATM 1082 O O   . HOH   D 4 .   ? -19.39152 -17.77718 -30.03794 1.000 42.08185  ? 923 HOH   A O   1 
HETATM 1083 O O   . HOH   D 4 .   ? -9.95931  -22.50004 -22.95845 1.000 49.83185  ? 924 HOH   A O   1 
HETATM 1084 O O   . HOH   D 4 .   ? 6.599     -16.893   -26.255   1.000 37.20185  ? 925 HOH   A O   1 
HETATM 1085 O O   . HOH   D 4 .   ? -17.95463 -22.38110 -27.43329 1.000 51.27185  ? 926 HOH   A O   1 
HETATM 1086 O O   . HOH   D 4 .   ? -17.90024 -21.78054 -19.28407 1.000 60.53185  ? 927 HOH   A O   1 
HETATM 1087 O O   . HOH   D 4 .   ? -19.302   -20.266   -26.915   1.000 47.37185  ? 928 HOH   A O   1 
HETATM 1088 O O   . HOH   D 4 .   ? -15.59630 -6.24305  -22.03715 1.000 55.91185  ? 929 HOH   A O   1 
HETATM 1089 O O   . HOH   D 4 .   ? -9.00126  -5.05331  -23.15170 1.000 54.49185  ? 930 HOH   A O   1 
HETATM 1090 O O   . HOH   D 4 .   ? -5.32593  -22.21506 -15.97575 1.000 46.64185  ? 931 HOH   A O   1 
HETATM 1091 O O   . HOH   D 4 .   ? -1.67783  -4.65137  -33.58919 1.000 56.32185  ? 932 HOH   A O   1 
HETATM 1092 O O   . HOH   D 4 .   ? -0.45091  -18.64654 -35.96100 1.000 50.73185  ? 933 HOH   A O   1 
HETATM 1093 O O   . HOH   D 4 .   ? -16.616   -3.140    -27.435   1.000 41.99185  ? 934 HOH   A O   1 
HETATM 1094 O O   . HOH   D 4 .   ? 10.784    -26.735   -23.725   1.000 50.32185  ? 935 HOH   A O   1 
HETATM 1095 O O   . HOH   D 4 .   ? -7.44018  -28.64031 -36.52822 1.000 49.91185  ? 936 HOH   A O   1 
HETATM 1096 O O   . HOH   D 4 .   ? -4.12922  -23.05273 -13.05280 1.000 52.32185  ? 937 HOH   A O   1 
HETATM 1097 O O   . HOH   D 4 .   ? 7.36858   -20.45093 -7.65968  1.000 64.74185  ? 938 HOH   A O   1 
HETATM 1098 O O   . HOH   D 4 .   ? -7.53761  -11.39829 -37.43553 1.000 54.00185  ? 939 HOH   A O   1 
HETATM 1099 O O   . HOH   D 4 .   ? -9.78076  -31.36886 -34.84088 1.000 53.37185  ? 940 HOH   A O   1 
HETATM 1100 O O   . HOH   D 4 .   ? -7.09580  -22.52195 -18.06413 1.000 54.34185  ? 941 HOH   A O   1 
HETATM 1101 O O   . HOH   D 4 .   ? 11.449    -28.651   -28.242   1.000 53.00185  ? 942 HOH   A O   1 
HETATM 1102 O O   . HOH   D 4 .   ? -2.91532  -2.87352  -34.78801 1.000 66.04185  ? 943 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 
1    N N   . LYS A 39  ? 1.05029 1.11351 0.72736 -0.08436 -0.20197 0.11537  616 LYS A N   
2    C CA  . LYS A 39  ? 1.02773 1.07331 0.72815 -0.07465 -0.20251 0.08141  616 LYS A CA  
3    C C   . LYS A 39  ? 0.95183 1.00149 0.69939 -0.06055 -0.16697 0.06627  616 LYS A C   
4    O O   . LYS A 39  ? 0.93334 0.97301 0.73890 -0.05525 -0.16882 0.05636  616 LYS A O   
5    C CB  . LYS A 39  ? 1.06967 1.10568 0.69306 -0.07290 -0.20499 0.05140  616 LYS A CB  
6    C CG  . LYS A 39  ? 1.06117 1.07386 0.71124 -0.06787 -0.21920 0.02205  616 LYS A CG  
7    C CD  . LYS A 39  ? 1.07961 1.07972 0.76603 -0.08021 -0.26488 0.03781  616 LYS A CD  
8    C CE  . LYS A 39  ? 1.07728 1.05624 0.79835 -0.07729 -0.27988 0.01191  616 LYS A CE  
9    N NZ  . LYS A 39  ? 1.01394 0.99632 0.80504 -0.06546 -0.25015 0.00383  616 LYS A NZ  
10   N N   . ASN A 40  ? 0.90122 0.96742 0.62520 -0.05540 -0.13513 0.06657  617 ASN A N   
11   C CA  . ASN A 40  ? 0.86354 0.93342 0.62830 -0.04351 -0.10532 0.05422  617 ASN A CA  
12   C C   . ASN A 40  ? 0.84027 0.91227 0.67169 -0.04553 -0.10734 0.07538  617 ASN A C   
13   O O   . ASN A 40  ? 0.86294 0.94580 0.69761 -0.05291 -0.10951 0.10187  617 ASN A O   
14   C CB  . ASN A 40  ? 0.85410 0.94257 0.58120 -0.03762 -0.07328 0.04907  617 ASN A CB  
15   C CG  . ASN A 40  ? 0.82471 0.91728 0.59655 -0.02755 -0.04804 0.04134  617 ASN A CG  
16   O OD1 . ASN A 40  ? 0.83998 0.92358 0.61931 -0.01732 -0.03756 0.01652  617 ASN A OD1 
17   N ND2 . ASN A 40  ? 0.82172 0.92578 0.62457 -0.03149 -0.04157 0.06370  617 ASN A ND2 
18   N N   . VAL A 41  ? 0.65516 0.71698 0.53948 -0.03874 -0.10504 0.06308  618 VAL A N   
19   C CA  . VAL A 41  ? 0.61287 0.67399 0.56089 -0.03765 -0.10501 0.07482  618 VAL A CA  
20   C C   . VAL A 41  ? 0.57707 0.64311 0.53708 -0.02887 -0.07551 0.06378  618 VAL A C   
21   O O   . VAL A 41  ? 0.57273 0.63687 0.52006 -0.02138 -0.05951 0.04301  618 VAL A O   
22   C CB  . VAL A 41  ? 0.58135 0.63173 0.57906 -0.03616 -0.12047 0.06886  618 VAL A CB  
23   C CG1 . VAL A 41  ? 0.55302 0.60351 0.61153 -0.02897 -0.10681 0.06674  618 VAL A CG1 
24   C CG2 . VAL A 41  ? 0.58656 0.63344 0.59104 -0.04676 -0.15613 0.08884  618 VAL A CG2 
25   N N   . VAL A 42  ? 0.54247 0.61301 0.52832 -0.03051 -0.07136 0.07833  619 VAL A N   
26   C CA  . VAL A 42  ? 0.54091 0.61488 0.53745 -0.02421 -0.04866 0.06944  619 VAL A CA  
27   C C   . VAL A 42  ? 0.52524 0.58875 0.56992 -0.01748 -0.04503 0.05755  619 VAL A C   
28   O O   . VAL A 42  ? 0.48664 0.54426 0.57245 -0.01874 -0.05711 0.06638  619 VAL A O   
29   C CB  . VAL A 42  ? 0.53421 0.61772 0.53261 -0.03081 -0.04739 0.09043  619 VAL A CB  
30   C CG1 . VAL A 42  ? 0.51142 0.59730 0.52129 -0.02536 -0.02838 0.08010  619 VAL A CG1 
31   C CG2 . VAL A 42  ? 0.57511 0.67439 0.52381 -0.03807 -0.04705 0.10492  619 VAL A CG2 
32   N N   . ILE A 43  ? 0.50885 0.57082 0.54887 -0.01000 -0.02767 0.03806  620 ILE A N   
33   C CA  . ILE A 43  ? 0.48537 0.54101 0.55968 -0.00362 -0.01881 0.02548  620 ILE A CA  
34   C C   . ILE A 43  ? 0.48865 0.54450 0.55919 -0.00042 -0.00372 0.01887  620 ILE A C   
35   O O   . ILE A 43  ? 0.48089 0.54258 0.52271 -0.00036 0.00463  0.01737  620 ILE A O   
36   C CB  . ILE A 43  ? 0.48402 0.53774 0.55600 -0.00016 -0.01328 0.01263  620 ILE A CB  
37   C CG1 . ILE A 43  ? 0.51286 0.56448 0.58481 -0.00492 -0.03272 0.01763  620 ILE A CG1 
38   C CG2 . ILE A 43  ? 0.46986 0.52222 0.57604 0.00532  -0.00053 0.00320  620 ILE A CG2 
39   C CD1 . ILE A 43  ? 0.49721 0.54796 0.61807 -0.00643 -0.04682 0.02596  620 ILE A CD1 
40   N N   . TYR A 44  ? 0.39174 0.44094 0.49282 0.00282  -0.00103 0.01332  621 TYR A N   
41   C CA  . TYR A 44  ? 0.37782 0.42359 0.47380 0.00483  0.00867  0.00484  621 TYR A CA  
42   C C   . TYR A 44  ? 0.38993 0.43132 0.49309 0.01180  0.02301  -0.01322 621 TYR A C   
43   O O   . TYR A 44  ? 0.37603 0.41418 0.51090 0.01614  0.02429  -0.01901 621 TYR A O   
44   C CB  . TYR A 44  ? 0.39181 0.43059 0.51232 0.00143  -0.00296 0.01291  621 TYR A CB  
45   C CG  . TYR A 44  ? 0.41279 0.44444 0.53048 0.00235  0.00188  0.00226  621 TYR A CG  
46   C CD1 . TYR A 44  ? 0.41021 0.44951 0.50412 -0.00215 0.00392  0.00787  621 TYR A CD1 
47   C CD2 . TYR A 44  ? 0.41689 0.43440 0.55666 0.00809  0.00374  -0.01478 621 TYR A CD2 
48   C CE1 . TYR A 44  ? 0.43443 0.46637 0.52738 -0.00297 0.00334  -0.00079 621 TYR A CE1 
49   C CE2 . TYR A 44  ? 0.45256 0.46020 0.58386 0.00795  0.00434  -0.02710 621 TYR A CE2 
50   C CZ  . TYR A 44  ? 0.45479 0.46917 0.56299 0.00139  0.00194  -0.01878 621 TYR A CZ  
51   O OH  . TYR A 44  ? 0.46386 0.46772 0.56582 -0.00035 -0.00238 -0.02976 621 TYR A OH  
52   N N   . ALA A 45  ? 0.44151 0.48462 0.51714 0.01291  0.03429  -0.02066 622 ALA A N   
53   C CA  . ALA A 45  ? 0.44662 0.48759 0.51896 0.01755  0.04912  -0.03467 622 ALA A CA  
54   C C   . ALA A 45  ? 0.48388 0.51885 0.53418 0.01678  0.05089  -0.04220 622 ALA A C   
55   O O   . ALA A 45  ? 0.46867 0.50703 0.49760 0.01344  0.04775  -0.03600 622 ALA A O   
56   C CB  . ALA A 45  ? 0.43969 0.48729 0.49942 0.01752  0.05748  -0.03280 622 ALA A CB  
57   N N   . ASP A 46  ? 0.51030 0.53613 0.56748 0.02031  0.05478  -0.05679 623 ASP A N   
58   C CA  . ASP A 46  ? 0.53626 0.55322 0.56930 0.01839  0.05207  -0.06610 623 ASP A CA  
59   C C   . ASP A 46  ? 0.54531 0.56178 0.55090 0.02170  0.06832  -0.08045 623 ASP A C   
60   O O   . ASP A 46  ? 0.50851 0.53180 0.52270 0.02660  0.08454  -0.08528 623 ASP A O   
61   C CB  . ASP A 46  ? 0.52998 0.53183 0.58502 0.01827  0.03910  -0.07395 623 ASP A CB  
62   C CG  . ASP A 46  ? 0.56220 0.55527 0.64309 0.02715  0.04703  -0.09219 623 ASP A CG  
63   O OD1 . ASP A 46  ? 0.58520 0.58706 0.66491 0.03320  0.06560  -0.09927 623 ASP A OD1 
64   O OD2 . ASP A 46  ? 0.56613 0.54383 0.67433 0.02839  0.03474  -0.09916 623 ASP A OD2 
65   N N   . GLY A 47  ? 0.48742 0.49759 0.46039 0.01791  0.06328  -0.08519 624 GLY A N   
66   C CA  . GLY A 47  ? 0.51297 0.52230 0.44949 0.01906  0.07675  -0.09698 624 GLY A CA  
67   C C   . GLY A 47  ? 0.54954 0.55156 0.45088 0.01216  0.06225  -0.09609 624 GLY A C   
68   O O   . GLY A 47  ? 0.50303 0.50328 0.41602 0.00726  0.04387  -0.08602 624 GLY A O   
69   N N   . VAL A 48  ? 0.63979 0.63969 0.49857 0.01113  0.07061  -0.10505 625 VAL A N   
70   C CA  . VAL A 48  ? 0.64963 0.64271 0.47217 0.00321  0.05329  -0.10172 625 VAL A CA  
71   C C   . VAL A 48  ? 0.64694 0.65289 0.46897 -0.00162 0.04875  -0.07530 625 VAL A C   
72   O O   . VAL A 48  ? 0.65161 0.65675 0.47703 -0.00684 0.02880  -0.06432 625 VAL A O   
73   C CB  . VAL A 48  ? 0.70236 0.68703 0.47143 0.00290  0.06162  -0.12127 625 VAL A CB  
74   C CG1 . VAL A 48  ? 0.72533 0.69332 0.50030 0.00986  0.06378  -0.15245 625 VAL A CG1 
75   C CG2 . VAL A 48  ? 0.76039 0.76160 0.51257 0.00502  0.08938  -0.11426 625 VAL A CG2 
76   N N   . TYR A 49  ? 0.63070 0.64874 0.45627 0.00036  0.06609  -0.06444 626 TYR A N   
77   C CA  . TYR A 49  ? 0.62482 0.65132 0.45553 -0.00295 0.06121  -0.04130 626 TYR A CA  
78   C C   . TYR A 49  ? 0.65959 0.68224 0.45504 -0.01046 0.04618  -0.03154 626 TYR A C   
79   O O   . TYR A 49  ? 0.64510 0.66994 0.45482 -0.01259 0.03009  -0.01634 626 TYR A O   
80   C CB  . TYR A 49  ? 0.59205 0.62275 0.46261 -0.00030 0.05146  -0.03300 626 TYR A CB  
81   C CG  . TYR A 49  ? 0.55582 0.59035 0.45653 0.00511  0.06222  -0.03775 626 TYR A CG  
82   C CD1 . TYR A 49  ? 0.56244 0.60326 0.47387 0.00687  0.07493  -0.03199 626 TYR A CD1 
83   C CD2 . TYR A 49  ? 0.55289 0.58423 0.47423 0.00699  0.05672  -0.04548 626 TYR A CD2 
84   C CE1 . TYR A 49  ? 0.53135 0.57534 0.47169 0.01064  0.08029  -0.03513 626 TYR A CE1 
85   C CE2 . TYR A 49  ? 0.53625 0.57073 0.48503 0.01083  0.06270  -0.04669 626 TYR A CE2 
86   C CZ  . TYR A 49  ? 0.51866 0.55953 0.47579 0.01276  0.07374  -0.04220 626 TYR A CZ  
87   O OH  . TYR A 49  ? 0.50309 0.54684 0.48861 0.01542  0.07547  -0.04224 626 TYR A OH  
88   N N   . ASP A 50  ? 0.61749 0.63541 0.36657 -0.01418 0.05157  -0.04011 627 ASP A N   
89   C CA  . ASP A 50  ? 0.67210 0.68604 0.38004 -0.02321 0.03516  -0.02829 627 ASP A CA  
90   C C   . ASP A 50  ? 0.67200 0.69597 0.37590 -0.02709 0.04304  -0.00259 627 ASP A C   
91   O O   . ASP A 50  ? 0.65850 0.69128 0.36320 -0.02530 0.06724  -0.00140 627 ASP A O   
92   C CB  . ASP A 50  ? 0.68687 0.69065 0.33675 -0.02644 0.03730  -0.04920 627 ASP A CB  
93   C CG  . ASP A 50  ? 0.75156 0.74441 0.36241 -0.03667 0.00676  -0.04395 627 ASP A CG  
94   O OD1 . ASP A 50  ? 0.74167 0.73635 0.37929 -0.04053 -0.01656 -0.02363 627 ASP A OD1 
95   O OD2 . ASP A 50  ? 0.79937 0.78176 0.35298 -0.04045 0.00547  -0.06179 627 ASP A OD2 
96   N N   . MET A 51  ? 0.74324 0.76629 0.45091 -0.03253 0.02134  0.01967  628 MET A N   
97   C CA  . MET A 51  ? 0.72462 0.75312 0.43213 -0.03765 0.02251  0.04757  628 MET A CA  
98   C C   . MET A 51  ? 0.68420 0.72025 0.43388 -0.03170 0.04263  0.05125  628 MET A C   
99   O O   . MET A 51  ? 0.67776 0.72098 0.41764 -0.03533 0.06110  0.06022  628 MET A O   
100  C CB  . MET A 51  ? 0.76581 0.79541 0.40911 -0.04799 0.02841  0.05557  628 MET A CB  
101  C CG  . MET A 51  ? 0.82125 0.84063 0.41673 -0.05642 0.00127  0.05538  628 MET A CG  
102  S SD  . MET A 51  ? 0.93640 0.95786 0.44194 -0.06938 0.00970  0.06375  628 MET A SD  
103  C CE  . MET A 51  ? 0.93291 0.95992 0.42036 -0.05959 0.05059  0.02538  628 MET A CE  
104  N N   . LEU A 52  ? 0.68562 0.72100 0.48265 -0.02333 0.03811  0.04487  629 LEU A N   
105  C CA  . LEU A 52  ? 0.65895 0.69840 0.49388 -0.01761 0.05243  0.04320  629 LEU A CA  
106  C C   . LEU A 52  ? 0.68742 0.72824 0.53098 -0.02304 0.05556  0.06623  629 LEU A C   
107  O O   . LEU A 52  ? 0.69556 0.73152 0.54137 -0.02702 0.03916  0.08594  629 LEU A O   
108  C CB  . LEU A 52  ? 0.63556 0.67342 0.51068 -0.00929 0.04258  0.03732  629 LEU A CB  
109  C CG  . LEU A 52  ? 0.60762 0.64768 0.51277 -0.00302 0.05403  0.02706  629 LEU A CG  
110  C CD1 . LEU A 52  ? 0.59461 0.63693 0.49474 -0.00035 0.06088  0.00868  629 LEU A CD1 
111  C CD2 . LEU A 52  ? 0.61126 0.64937 0.54870 0.00392  0.04475  0.02739  629 LEU A CD2 
112  N N   . HIS A 53  ? 0.67700 0.72459 0.53253 -0.02369 0.07481  0.06587  630 HIS A N   
113  C CA  . HIS A 53  ? 0.69291 0.74188 0.56723 -0.03025 0.07689  0.08956  630 HIS A CA  
114  C C   . HIS A 53  ? 0.67192 0.72318 0.59010 -0.02633 0.08603  0.08289  630 HIS A C   
115  O O   . HIS A 53  ? 0.63344 0.68463 0.56512 -0.01832 0.08841  0.06170  630 HIS A O   
116  C CB  . HIS A 53  ? 0.76271 0.82213 0.59740 -0.04146 0.09047  0.10711  630 HIS A CB  
117  C CG  . HIS A 53  ? 0.78315 0.85689 0.59845 -0.03990 0.11814  0.09038  630 HIS A CG  
118  N ND1 . HIS A 53  ? 0.75590 0.83857 0.61054 -0.03524 0.13462  0.08127  630 HIS A ND1 
119  C CD2 . HIS A 53  ? 0.82552 0.90593 0.58839 -0.04165 0.13180  0.07998  630 HIS A CD2 
120  C CE1 . HIS A 53  ? 0.77757 0.87347 0.61153 -0.03289 0.15880  0.06663  630 HIS A CE1 
121  N NE2 . HIS A 53  ? 0.81338 0.90739 0.58910 -0.03618 0.15887  0.06361  630 HIS A NE2 
122  N N   . LEU A 54  ? 0.58011 0.63253 0.52278 -0.03355 0.08783  0.10379  631 LEU A N   
123  C CA  . LEU A 54  ? 0.53927 0.59022 0.52894 -0.03176 0.08876  0.09993  631 LEU A CA  
124  C C   . LEU A 54  ? 0.53378 0.59864 0.52864 -0.02814 0.10750  0.08276  631 LEU A C   
125  O O   . LEU A 54  ? 0.48403 0.54511 0.50980 -0.02303 0.10219  0.06980  631 LEU A O   
126  C CB  . LEU A 54  ? 0.57264 0.62423 0.58927 -0.04321 0.08794  0.12879  631 LEU A CB  
127  C CG  . LEU A 54  ? 0.56685 0.60524 0.63740 -0.04302 0.07381  0.12897  631 LEU A CG  
128  C CD1 . LEU A 54  ? 0.52876 0.54495 0.60794 -0.03256 0.05138  0.11305  631 LEU A CD1 
129  C CD2 . LEU A 54  ? 0.59044 0.62845 0.68930 -0.05686 0.07075  0.16227  631 LEU A CD2 
130  N N   . GLY A 55  ? 0.66543 0.74565 0.62988 -0.03018 0.12836  0.08148  632 GLY A N   
131  C CA  . GLY A 55  ? 0.65465 0.74774 0.62986 -0.02442 0.14666  0.06342  632 GLY A CA  
132  C C   . GLY A 55  ? 0.60537 0.68804 0.58333 -0.01411 0.13530  0.03874  632 GLY A C   
133  O O   . GLY A 55  ? 0.59511 0.68049 0.60685 -0.00976 0.13574  0.02923  632 GLY A O   
134  N N   . HIS A 56  ? 0.58647 0.65835 0.53147 -0.01137 0.12348  0.03100  633 HIS A N   
135  C CA  . HIS A 56  ? 0.54630 0.60997 0.49638 -0.00369 0.11190  0.01298  633 HIS A CA  
136  C C   . HIS A 56  ? 0.54929 0.60576 0.53055 -0.00138 0.09718  0.01439  633 HIS A C   
137  O O   . HIS A 56  ? 0.48531 0.54134 0.48453 0.00297  0.09371  0.00371  633 HIS A O   
138  C CB  . HIS A 56  ? 0.58975 0.64544 0.50674 -0.00321 0.10011  0.00906  633 HIS A CB  
139  C CG  . HIS A 56  ? 0.59820 0.65612 0.47510 -0.00576 0.10939  0.00323  633 HIS A CG  
140  N ND1 . HIS A 56  ? 0.63848 0.69833 0.48226 -0.01334 0.11114  0.01791  633 HIS A ND1 
141  C CD2 . HIS A 56  ? 0.62611 0.68220 0.48777 -0.00191 0.11502  -0.01677 633 HIS A CD2 
142  C CE1 . HIS A 56  ? 0.67592 0.73606 0.47916 -0.01408 0.11894  0.00536  633 HIS A CE1 
143  N NE2 . HIS A 56  ? 0.65893 0.71550 0.47436 -0.00647 0.12142  -0.01769 633 HIS A NE2 
144  N N   . MET A 57  ? 0.48592 0.53517 0.47220 -0.00411 0.08682  0.02698  634 MET A N   
145  C CA  . MET A 57  ? 0.48846 0.52788 0.49826 -0.00022 0.07274  0.02286  634 MET A CA  
146  C C   . MET A 57  ? 0.46573 0.50708 0.50568 -0.00163 0.07382  0.02003  634 MET A C   
147  O O   . MET A 57  ? 0.44693 0.48393 0.49511 0.00258  0.06492  0.00841  634 MET A O   
148  C CB  . MET A 57  ? 0.48710 0.51600 0.50436 -0.00198 0.06163  0.03571  634 MET A CB  
149  C CG  . MET A 57  ? 0.48336 0.51113 0.47786 -0.00091 0.05615  0.04134  634 MET A CG  
150  S SD  . MET A 57  ? 0.54180 0.55737 0.55360 -0.00430 0.04201  0.06268  634 MET A SD  
151  C CE  . MET A 57  ? 0.52878 0.54789 0.51110 -0.00522 0.03466  0.07156  634 MET A CE  
152  N N   . LYS A 58  ? 0.46672 0.51663 0.52384 -0.00849 0.08428  0.03238  635 LYS A N   
153  C CA  . LYS A 58  ? 0.49719 0.55133 0.59234 -0.01102 0.08315  0.03234  635 LYS A CA  
154  C C   . LYS A 58  ? 0.47173 0.53404 0.57074 -0.00572 0.08784  0.01858  635 LYS A C   
155  O O   . LYS A 58  ? 0.45800 0.51745 0.58083 -0.00517 0.07579  0.01339  635 LYS A O   
156  C CB  . LYS A 58  ? 0.49395 0.56180 0.61324 -0.02010 0.09716  0.05173  635 LYS A CB  
157  C CG  . LYS A 58  ? 0.51474 0.57259 0.64725 -0.02816 0.08724  0.07077  635 LYS A CG  
158  C CD  . LYS A 58  ? 0.54383 0.62168 0.69517 -0.03881 0.10637  0.09462  635 LYS A CD  
159  C CE  . LYS A 58  ? 0.58345 0.65095 0.76183 -0.04945 0.09341  0.11831  635 LYS A CE  
160  N NZ  . LYS A 58  ? 0.62336 0.71400 0.81909 -0.06223 0.11384  0.14789  635 LYS A NZ  
161  N N   . GLN A 59  ? 0.56740 0.63796 0.64404 -0.00225 0.10261  0.01269  636 GLN A N   
162  C CA  . GLN A 59  ? 0.56404 0.63896 0.64952 0.00346  0.10490  -0.00019 636 GLN A CA  
163  C C   . GLN A 59  ? 0.54784 0.61108 0.62490 0.00680  0.08568  -0.00812 636 GLN A C   
164  O O   . GLN A 59  ? 0.53997 0.60364 0.63844 0.00799  0.07685  -0.01131 636 GLN A O   
165  C CB  . GLN A 59  ? 0.57321 0.65374 0.63335 0.00698  0.12194  -0.00852 636 GLN A CB  
166  C CG  . GLN A 59  ? 0.62046 0.70493 0.69987 0.01364  0.12702  -0.02205 636 GLN A CG  
167  C CD  . GLN A 59  ? 0.65734 0.75362 0.73155 0.01721  0.15275  -0.03027 636 GLN A CD  
168  O OE1 . GLN A 59  ? 0.66276 0.76874 0.77226 0.02309  0.16372  -0.03800 636 GLN A OE1 
169  N NE2 . GLN A 59  ? 0.66572 0.76174 0.69574 0.01412  0.16233  -0.02902 636 GLN A NE2 
170  N N   . LEU A 60  ? 0.47316 0.52801 0.52074 0.00791  0.07904  -0.00921 637 LEU A N   
171  C CA  . LEU A 60  ? 0.47669 0.52528 0.51455 0.01097  0.06540  -0.01497 637 LEU A CA  
172  C C   . LEU A 60  ? 0.48629 0.52849 0.53751 0.00992  0.05200  -0.01556 637 LEU A C   
173  O O   . LEU A 60  ? 0.48291 0.52376 0.53130 0.01098  0.04189  -0.01994 637 LEU A O   
174  C CB  . LEU A 60  ? 0.46789 0.51315 0.48058 0.01302  0.06373  -0.01473 637 LEU A CB  
175  C CG  . LEU A 60  ? 0.50011 0.54843 0.49446 0.01302  0.06963  -0.01600 637 LEU A CG  
176  C CD1 . LEU A 60  ? 0.48504 0.53126 0.46310 0.01348  0.06481  -0.01133 637 LEU A CD1 
177  C CD2 . LEU A 60  ? 0.46803 0.51805 0.46464 0.01457  0.06587  -0.02196 637 LEU A CD2 
178  N N   . GLU A 61  ? 0.45601 0.49274 0.51985 0.00690  0.04966  -0.01068 638 GLU A N   
179  C CA  . GLU A 61  ? 0.46051 0.48689 0.53754 0.00533  0.03337  -0.01459 638 GLU A CA  
180  C C   . GLU A 61  ? 0.44939 0.48116 0.55150 0.00164  0.02668  -0.01337 638 GLU A C   
181  O O   . GLU A 61  ? 0.44082 0.46594 0.53897 0.00119  0.00998  -0.01955 638 GLU A O   
182  C CB  . GLU A 61  ? 0.47065 0.48786 0.56590 0.00131  0.02973  -0.00773 638 GLU A CB  
183  C CG  . GLU A 61  ? 0.49325 0.49415 0.60230 -0.00043 0.00901  -0.01558 638 GLU A CG  
184  C CD  . GLU A 61  ? 0.53316 0.52359 0.67384 -0.00698 0.00242  -0.00554 638 GLU A CD  
185  O OE1 . GLU A 61  ? 0.53894 0.53729 0.68838 -0.01083 0.01557  0.01095  638 GLU A OE1 
186  O OE2 . GLU A 61  ? 0.54624 0.51941 0.70206 -0.00930 -0.01769 -0.01347 638 GLU A OE2 
187  N N   . GLN A 62  ? 0.52206 0.56712 0.64973 -0.00063 0.03971  -0.00546 639 GLN A N   
188  C CA  . GLN A 62  ? 0.51985 0.57321 0.68324 -0.00277 0.03430  -0.00277 639 GLN A CA  
189  C C   . GLN A 62  ? 0.52189 0.57454 0.67224 0.00082  0.02563  -0.00822 639 GLN A C   
190  O O   . GLN A 62  ? 0.51516 0.56513 0.67929 -0.00205 0.00647  -0.00687 639 GLN A O   
191  C CB  . GLN A 62  ? 0.52601 0.59744 0.71968 -0.00286 0.05658  0.00424  639 GLN A CB  
192  C CG  . GLN A 62  ? 0.55321 0.63709 0.79864 -0.00356 0.05326  0.00819  639 GLN A CG  
193  C CD  . GLN A 62  ? 0.56246 0.66827 0.83908 -0.00132 0.08167  0.01253  639 GLN A CD  
194  O OE1 . GLN A 62  ? 0.56229 0.67297 0.81408 -0.00099 0.10280  0.01358  639 GLN A OE1 
195  N NE2 . GLN A 62  ? 0.55863 0.67907 0.88993 0.00044  0.08243  0.01540  639 GLN A NE2 
196  N N   . ALA A 63  ? 0.42402 0.47846 0.54881 0.00562  0.03686  -0.01221 640 ALA A N   
197  C CA  . ALA A 63  ? 0.41981 0.47328 0.53508 0.00731  0.02792  -0.01334 640 ALA A CA  
198  C C   . ALA A 63  ? 0.43760 0.48326 0.52621 0.00504  0.01015  -0.01423 640 ALA A C   
199  O O   . ALA A 63  ? 0.44404 0.48911 0.53644 0.00209  -0.00607 -0.00983 640 ALA A O   
200  C CB  . ALA A 63  ? 0.40824 0.46277 0.50183 0.01117  0.04042  -0.01716 640 ALA A CB  
201  N N   . LYS A 64  ? 0.40650 0.44636 0.46723 0.00679  0.01300  -0.02004 641 LYS A N   
202  C CA  . LYS A 64  ? 0.45115 0.48454 0.48193 0.00708  0.00108  -0.02588 641 LYS A CA  
203  C C   . LYS A 64  ? 0.47803 0.50318 0.51855 0.00196  -0.01978 -0.02743 641 LYS A C   
204  O O   . LYS A 64  ? 0.51679 0.53917 0.53227 -0.00008 -0.03399 -0.02936 641 LYS A O   
205  C CB  . LYS A 64  ? 0.43301 0.46099 0.44510 0.01225  0.00917  -0.03422 641 LYS A CB  
206  C CG  . LYS A 64  ? 0.45505 0.47524 0.43817 0.01562  0.00086  -0.04654 641 LYS A CG  
207  C CD  . LYS A 64  ? 0.47140 0.50293 0.42432 0.01720  0.00446  -0.04521 641 LYS A CD  
208  C CE  . LYS A 64  ? 0.49824 0.52447 0.41670 0.02059  -0.00164 -0.05939 641 LYS A CE  
209  N NZ  . LYS A 64  ? 0.48097 0.52274 0.36827 0.01961  0.00295  -0.05328 641 LYS A NZ  
210  N N   . LYS A 65  ? 0.44734 0.46977 0.52400 -0.00150 -0.02306 -0.02486 642 LYS A N   
211  C CA  . LYS A 65  ? 0.46717 0.47991 0.55852 -0.00779 -0.04693 -0.02648 642 LYS A CA  
212  C C   . LYS A 65  ? 0.45637 0.47824 0.58829 -0.01315 -0.05847 -0.01430 642 LYS A C   
213  O O   . LYS A 65  ? 0.43100 0.44877 0.59474 -0.01971 -0.07702 -0.01140 642 LYS A O   
214  C CB  . LYS A 65  ? 0.47129 0.47438 0.58567 -0.01007 -0.04806 -0.02902 642 LYS A CB  
215  C CG  . LYS A 65  ? 0.48049 0.46884 0.56231 -0.00450 -0.04588 -0.04294 642 LYS A CG  
216  C CD  . LYS A 65  ? 0.48886 0.46429 0.60143 -0.00821 -0.05165 -0.04228 642 LYS A CD  
217  C CE  . LYS A 65  ? 0.46916 0.43099 0.55800 -0.00011 -0.04613 -0.05440 642 LYS A CE  
218  N NZ  . LYS A 65  ? 0.50023 0.44484 0.62137 -0.00421 -0.05655 -0.05301 642 LYS A NZ  
219  N N   . LEU A 66  ? 0.49363 0.52702 0.63161 -0.01046 -0.04987 -0.00687 643 LEU A N   
220  C CA  . LEU A 66  ? 0.47021 0.51121 0.65213 -0.01383 -0.06327 0.00453  643 LEU A CA  
221  C C   . LEU A 66  ? 0.48661 0.51865 0.65310 -0.02127 -0.09656 0.00792  643 LEU A C   
222  O O   . LEU A 66  ? 0.47390 0.50767 0.68264 -0.02708 -0.11755 0.01648  643 LEU A O   
223  C CB  . LEU A 66  ? 0.45568 0.50565 0.64578 -0.00850 -0.05013 0.00953  643 LEU A CB  
224  C CG  . LEU A 66  ? 0.44653 0.50545 0.65627 -0.00177 -0.02019 0.00481  643 LEU A CG  
225  C CD1 . LEU A 66  ? 0.41767 0.47825 0.62101 0.00363  -0.01010 0.00384  643 LEU A CD1 
226  C CD2 . LEU A 66  ? 0.42670 0.49799 0.69980 -0.00186 -0.01518 0.00965  643 LEU A CD2 
227  N N   . PHE A 67  ? 0.52473 0.54870 0.63071 -0.02153 -0.10192 0.00168  644 PHE A N   
228  C CA  . PHE A 67  ? 0.57349 0.58911 0.64839 -0.02907 -0.13219 0.00384  644 PHE A CA  
229  C C   . PHE A 67  ? 0.60865 0.61093 0.62392 -0.02747 -0.13283 -0.01567 644 PHE A C   
230  O O   . PHE A 67  ? 0.60933 0.61053 0.61183 -0.01981 -0.10962 -0.02761 644 PHE A O   
231  C CB  . PHE A 67  ? 0.54373 0.56745 0.60376 -0.03129 -0.13749 0.02009  644 PHE A CB  
232  C CG  . PHE A 67  ? 0.52073 0.55373 0.64647 -0.03127 -0.14068 0.03654  644 PHE A CG  
233  C CD1 . PHE A 67  ? 0.52967 0.56220 0.69881 -0.03800 -0.16982 0.04819  644 PHE A CD1 
234  C CD2 . PHE A 67  ? 0.50966 0.55100 0.65779 -0.02378 -0.11566 0.03832  644 PHE A CD2 
235  C CE1 . PHE A 67  ? 0.49288 0.53526 0.73198 -0.03549 -0.17130 0.06172  644 PHE A CE1 
236  C CE2 . PHE A 67  ? 0.46781 0.51581 0.67875 -0.02119 -0.11704 0.04846  644 PHE A CE2 
237  C CZ  . PHE A 67  ? 0.46691 0.51648 0.72591 -0.02609 -0.14324 0.06009  644 PHE A CZ  
238  N N   . GLU A 68  ? 0.61423 0.60542 0.59375 -0.03437 -0.16111 -0.01994 645 GLU A N   
239  C CA  . GLU A 68  ? 0.64966 0.62535 0.57340 -0.03138 -0.16322 -0.04418 645 GLU A CA  
240  C C   . GLU A 68  ? 0.67785 0.66355 0.55013 -0.02290 -0.13575 -0.05000 645 GLU A C   
241  O O   . GLU A 68  ? 0.68609 0.66669 0.54313 -0.01357 -0.11738 -0.06879 645 GLU A O   
242  C CB  . GLU A 68  ? 0.68184 0.64295 0.57025 -0.04114 -0.20094 -0.04929 645 GLU A CB  
243  N N   . ASN A 69  ? 0.72739 0.72837 0.57926 -0.02637 -0.13347 -0.03177 646 ASN A N   
244  C CA  . ASN A 69  ? 0.73162 0.74721 0.54129 -0.02061 -0.10793 -0.03177 646 ASN A CA  
245  C C   . ASN A 69  ? 0.70102 0.73279 0.54995 -0.02002 -0.09125 -0.01058 646 ASN A C   
246  O O   . ASN A 69  ? 0.68765 0.72498 0.55517 -0.02772 -0.10483 0.01161  646 ASN A O   
247  C CB  . ASN A 69  ? 0.78566 0.80588 0.52991 -0.02729 -0.12006 -0.02708 646 ASN A CB  
248  C CG  . ASN A 69  ? 0.87198 0.87307 0.56788 -0.02706 -0.13729 -0.05393 646 ASN A CG  
249  O OD1 . ASN A 69  ? 0.90399 0.89371 0.58373 -0.03766 -0.17089 -0.05036 646 ASN A OD1 
250  N ND2 . ASN A 69  ? 0.90796 0.90371 0.58219 -0.01475 -0.11675 -0.08204 646 ASN A ND2 
251  N N   . THR A 70  ? 0.59216 0.62938 0.45504 -0.01105 -0.06478 -0.01780 647 THR A N   
252  C CA  . THR A 70  ? 0.57746 0.62589 0.47522 -0.01015 -0.05057 -0.00292 647 THR A CA  
253  C C   . THR A 70  ? 0.57041 0.63165 0.44855 -0.00383 -0.02574 -0.00573 647 THR A C   
254  O O   . THR A 70  ? 0.55606 0.61683 0.40785 0.00320  -0.01499 -0.02251 647 THR A O   
255  C CB  . THR A 70  ? 0.56191 0.60393 0.51103 -0.00701 -0.04618 -0.00665 647 THR A CB  
256  O OG1 . THR A 70  ? 0.53756 0.57542 0.48204 0.00055  -0.03046 -0.02256 647 THR A OG1 
257  C CG2 . THR A 70  ? 0.57840 0.61054 0.55495 -0.01233 -0.06868 -0.00585 647 THR A CG2 
258  N N   . THR A 71  ? 0.52358 0.59573 0.42113 -0.00608 -0.01813 0.01051  648 THR A N   
259  C CA  . THR A 71  ? 0.47904 0.56253 0.37944 -0.00094 0.00297  0.00992  648 THR A CA  
260  C C   . THR A 71  ? 0.48542 0.56250 0.42750 0.00041  0.00572  0.01050  648 THR A C   
261  O O   . THR A 71  ? 0.45720 0.53252 0.42434 -0.00444 -0.00274 0.02250  648 THR A O   
262  C CB  . THR A 71  ? 0.47998 0.58190 0.36637 -0.00682 0.00746  0.02939  648 THR A CB  
263  O OG1 . THR A 71  ? 0.49575 0.60544 0.33549 -0.00853 0.00663  0.02871  648 THR A OG1 
264  C CG2 . THR A 71  ? 0.46083 0.57641 0.35751 -0.00247 0.02681  0.03001  648 THR A CG2 
265  N N   . LEU A 72  ? 0.48059 0.55305 0.42989 0.00711  0.01650  -0.00270 649 LEU A N   
266  C CA  . LEU A 72  ? 0.46428 0.53215 0.44206 0.00809  0.02122  -0.00320 649 LEU A CA  
267  C C   . LEU A 72  ? 0.46078 0.53755 0.43965 0.00823  0.02991  0.00210  649 LEU A C   
268  O O   . LEU A 72  ? 0.44113 0.52531 0.40840 0.01220  0.03885  -0.00117 649 LEU A O   
269  C CB  . LEU A 72  ? 0.44760 0.50670 0.43250 0.01240  0.02622  -0.01466 649 LEU A CB  
270  C CG  . LEU A 72  ? 0.43331 0.48992 0.43776 0.01295  0.03388  -0.01535 649 LEU A CG  
271  C CD1 . LEU A 72  ? 0.41736 0.47215 0.44739 0.01056  0.02929  -0.01204 649 LEU A CD1 
272  C CD2 . LEU A 72  ? 0.43546 0.48652 0.44326 0.01515  0.04007  -0.02098 649 LEU A CD2 
273  N N   . ILE A 73  ? 0.42206 0.49750 0.42021 0.00400  0.02522  0.01016  650 ILE A N   
274  C CA  . ILE A 73  ? 0.43222 0.51162 0.43882 0.00226  0.02825  0.01445  650 ILE A CA  
275  C C   . ILE A 73  ? 0.43150 0.49891 0.44919 0.00506  0.03093  0.00264  650 ILE A C   
276  O O   . ILE A 73  ? 0.42069 0.47893 0.45396 0.00591  0.02848  -0.00226 650 ILE A O   
277  C CB  . ILE A 73  ? 0.43211 0.51451 0.45402 -0.00534 0.01830  0.03089  650 ILE A CB  
278  C CG1 . ILE A 73  ? 0.44389 0.54090 0.44676 -0.00969 0.01707  0.04558  650 ILE A CG1 
279  C CG2 . ILE A 73  ? 0.41844 0.50255 0.45512 -0.00876 0.01758  0.03516  650 ILE A CG2 
280  C CD1 . ILE A 73  ? 0.43861 0.53831 0.45834 -0.01941 0.00485  0.06770  650 ILE A CD1 
281  N N   . VAL A 74  ? 0.44147 0.51039 0.45111 0.00674  0.03625  -0.00167 651 VAL A N   
282  C CA  . VAL A 74  ? 0.44466 0.50331 0.45373 0.00796  0.03848  -0.01194 651 VAL A CA  
283  C C   . VAL A 74  ? 0.47722 0.53277 0.49392 0.00356  0.03063  -0.01055 651 VAL A C   
284  O O   . VAL A 74  ? 0.46564 0.53158 0.48605 0.00020  0.02683  -0.00028 651 VAL A O   
285  C CB  . VAL A 74  ? 0.46787 0.52760 0.46099 0.01109  0.04489  -0.01537 651 VAL A CB  
286  C CG1 . VAL A 74  ? 0.44492 0.49599 0.42784 0.01029  0.04659  -0.02297 651 VAL A CG1 
287  C CG2 . VAL A 74  ? 0.43947 0.49816 0.43175 0.01410  0.04937  -0.01735 651 VAL A CG2 
288  N N   . GLY A 75  ? 0.45399 0.49575 0.47646 0.00379  0.02821  -0.02168 652 GLY A N   
289  C CA  . GLY A 75  ? 0.48600 0.51829 0.51403 -0.00045 0.01744  -0.02579 652 GLY A CA  
290  C C   . GLY A 75  ? 0.50996 0.53370 0.51188 0.00086  0.01997  -0.04012 652 GLY A C   
291  O O   . GLY A 75  ? 0.50342 0.52352 0.49100 0.00570  0.03191  -0.05110 652 GLY A O   
292  N N   . VAL A 76  ? 0.50659 0.52872 0.50310 -0.00460 0.00791  -0.03799 653 VAL A N   
293  C CA  . VAL A 76  ? 0.50877 0.52356 0.47410 -0.00571 0.00531  -0.04755 653 VAL A CA  
294  C C   . VAL A 76  ? 0.55599 0.55199 0.51952 -0.01040 -0.01116 -0.06156 653 VAL A C   
295  O O   . VAL A 76  ? 0.55970 0.55573 0.54791 -0.01721 -0.02806 -0.05271 653 VAL A O   
296  C CB  . VAL A 76  ? 0.51799 0.54660 0.47915 -0.00824 0.00076  -0.03208 653 VAL A CB  
297  C CG1 . VAL A 76  ? 0.54383 0.56458 0.46997 -0.01057 -0.00437 -0.03770 653 VAL A CG1 
298  C CG2 . VAL A 76  ? 0.50723 0.55055 0.47534 -0.00272 0.01464  -0.02175 653 VAL A CG2 
299  N N   . THR A 77  ? 0.51723 0.49766 0.45234 -0.00702 -0.00598 -0.08387 654 THR A N   
300  C CA  . THR A 77  ? 0.55650 0.51374 0.48676 -0.00945 -0.02122 -0.10469 654 THR A CA  
301  C C   . THR A 77  ? 0.58170 0.53438 0.49721 -0.01954 -0.04515 -0.10026 654 THR A C   
302  O O   . THR A 77  ? 0.61362 0.57830 0.50763 -0.02237 -0.04565 -0.08753 654 THR A O   
303  C CB  . THR A 77  ? 0.58798 0.53280 0.48383 -0.00164 -0.00513 -0.13255 654 THR A CB  
304  O OG1 . THR A 77  ? 0.60737 0.56202 0.45704 -0.00266 0.00568  -0.12868 654 THR A OG1 
305  C CG2 . THR A 77  ? 0.59150 0.54233 0.51594 0.00824  0.01561  -0.13572 654 THR A CG2 
306  N N   . SER A 78  ? 0.59427 0.52857 0.52759 -0.02555 -0.06811 -0.10936 655 SER A N   
307  C CA  . SER A 78  ? 0.63696 0.56477 0.56189 -0.03667 -0.09614 -0.10625 655 SER A CA  
308  C C   . SER A 78  ? 0.68380 0.59632 0.54388 -0.03707 -0.09975 -0.12778 655 SER A C   
309  O O   . SER A 78  ? 0.68163 0.58285 0.50655 -0.02879 -0.08183 -0.15237 655 SER A O   
310  C CB  . SER A 78  ? 0.64085 0.54955 0.60533 -0.04450 -0.12276 -0.11135 655 SER A CB  
311  O OG  . SER A 78  ? 0.70009 0.57621 0.64711 -0.03987 -0.12693 -0.14678 655 SER A OG  
312  N N   . ASP A 79  ? 0.75218 0.66624 0.59738 -0.04720 -0.12344 -0.11712 656 ASP A N   
313  C CA  . ASP A 79  ? 0.81450 0.71252 0.59241 -0.05083 -0.13362 -0.13474 656 ASP A CA  
314  C C   . ASP A 79  ? 0.86347 0.72757 0.61590 -0.04985 -0.14363 -0.17371 656 ASP A C   
315  O O   . ASP A 79  ? 0.90697 0.75984 0.60157 -0.04348 -0.12733 -0.19973 656 ASP A O   
316  C CB  . ASP A 79  ? 0.82724 0.73018 0.60474 -0.06375 -0.16637 -0.11467 656 ASP A CB  
317  C CG  . ASP A 79  ? 0.78861 0.72252 0.58658 -0.06238 -0.15603 -0.08056 656 ASP A CG  
318  O OD1 . ASP A 79  ? 0.79003 0.73548 0.57099 -0.05362 -0.12642 -0.07680 656 ASP A OD1 
319  O OD2 . ASP A 79  ? 0.79091 0.73753 0.62680 -0.06980 -0.17827 -0.05797 656 ASP A OD2 
320  N N   . ASN A 80  ? 0.99766 0.84528 0.79468 -0.05619 -0.17031 -0.17839 657 ASN A N   
321  C CA  . ASN A 80  ? 1.02435 0.83382 0.80308 -0.05569 -0.18643 -0.21813 657 ASN A CA  
322  C C   . ASN A 80  ? 1.03549 0.83676 0.80394 -0.03893 -0.15256 -0.24629 657 ASN A C   
323  O O   . ASN A 80  ? 1.06957 0.85078 0.78049 -0.03248 -0.14483 -0.28293 657 ASN A O   
324  C CB  . ASN A 80  ? 1.03114 0.82630 0.87788 -0.06557 -0.21934 -0.21200 657 ASN A CB  
325  C CG  . ASN A 80  ? 1.07595 0.86689 0.92460 -0.08304 -0.26145 -0.19951 657 ASN A CG  
326  O OD1 . ASN A 80  ? 1.13032 0.92871 0.92872 -0.08766 -0.26816 -0.19407 657 ASN A OD1 
327  N ND2 . ASN A 80  ? 1.09402 0.87383 1.00588 -0.09408 -0.29227 -0.19165 657 ASN A ND2 
328  N N   . GLU A 81  ? 0.91773 0.73575 0.74197 -0.03152 -0.13188 -0.22969 658 GLU A N   
329  C CA  . GLU A 81  ? 0.93273 0.74495 0.76166 -0.01556 -0.10268 -0.25330 658 GLU A CA  
330  C C   . GLU A 81  ? 0.94495 0.77315 0.71441 -0.00680 -0.06846 -0.26169 658 GLU A C   
331  O O   . GLU A 81  ? 0.99934 0.81473 0.73829 0.00444  -0.04979 -0.29645 658 GLU A O   
332  C CB  . GLU A 81  ? 0.88115 0.70975 0.78155 -0.01211 -0.09298 -0.22776 658 GLU A CB  
333  C CG  . GLU A 81  ? 0.87413 0.67900 0.83425 -0.01726 -0.12130 -0.22990 658 GLU A CG  
334  C CD  . GLU A 81  ? 0.81589 0.63905 0.84072 -0.01741 -0.11564 -0.19782 658 GLU A CD  
335  O OE1 . GLU A 81  ? 0.80941 0.66503 0.83354 -0.01863 -0.09961 -0.16814 658 GLU A OE1 
336  O OE2 . GLU A 81  ? 0.84262 0.64616 0.91766 -0.01642 -0.12849 -0.20262 658 GLU A OE2 
337  N N   . THR A 82  ? 0.88471 0.74144 0.63973 -0.01166 -0.05918 -0.23006 659 THR A N   
338  C CA  . THR A 82  ? 0.91229 0.78489 0.61411 -0.00631 -0.02912 -0.23221 659 THR A CA  
339  C C   . THR A 82  ? 0.99159 0.84487 0.61589 -0.00811 -0.03358 -0.26293 659 THR A C   
340  O O   . THR A 82  ? 1.00170 0.85404 0.59061 0.00235  -0.00496 -0.28914 659 THR A O   
341  C CB  . THR A 82  ? 0.86074 0.76086 0.56186 -0.01339 -0.02716 -0.19275 659 THR A CB  
342  O OG1 . THR A 82  ? 0.79929 0.71622 0.56423 -0.01064 -0.02116 -0.16921 659 THR A OG1 
343  C CG2 . THR A 82  ? 0.87217 0.78854 0.52493 -0.01004 0.00215  -0.18982 659 THR A CG2 
344  N N   . LYS A 83  ? 1.17269 1.01166 0.76915 -0.02148 -0.06938 -0.26043 660 LYS A N   
345  C CA  . LYS A 83  ? 1.25074 1.06797 0.76562 -0.02471 -0.07865 -0.29146 660 LYS A CA  
346  C C   . LYS A 83  ? 1.29595 1.08549 0.80417 -0.01188 -0.06859 -0.34142 660 LYS A C   
347  O O   . LYS A 83  ? 1.35411 1.13936 0.79683 -0.00430 -0.04514 -0.37159 660 LYS A O   
348  C CB  . LYS A 83  ? 1.27062 1.07134 0.77075 -0.04190 -0.12774 -0.28348 660 LYS A CB  
349  C CG  . LYS A 83  ? 1.26420 1.09113 0.77962 -0.05329 -0.14111 -0.23561 660 LYS A CG  
350  C CD  . LYS A 83  ? 1.28039 1.09201 0.79512 -0.06987 -0.19232 -0.22812 660 LYS A CD  
351  C CE  . LYS A 83  ? 1.24370 1.08351 0.79406 -0.07836 -0.20489 -0.18050 660 LYS A CE  
352  N NZ  . LYS A 83  ? 1.26164 1.09074 0.82524 -0.09419 -0.25505 -0.17057 660 LYS A NZ  
353  N N   . LEU A 84  ? 1.16025 0.93169 0.73828 -0.00881 -0.08479 -0.35018 661 LEU A N   
354  C CA  . LEU A 84  ? 1.19340 0.93092 0.77355 0.00280  -0.08465 -0.39962 661 LEU A CA  
355  C C   . LEU A 84  ? 1.18115 0.93222 0.77387 0.02328  -0.03670 -0.41754 661 LEU A C   
356  O O   . LEU A 84  ? 1.22016 0.95191 0.77936 0.03581  -0.02098 -0.46278 661 LEU A O   
357  C CB  . LEU A 84  ? 1.16461 0.87861 0.82462 -0.00214 -0.11988 -0.39697 661 LEU A CB  
358  C CG  . LEU A 84  ? 1.21936 0.88653 0.88810 0.00449  -0.13905 -0.44691 661 LEU A CG  
359  C CD1 . LEU A 84  ? 1.27273 0.91290 0.87865 -0.00988 -0.17215 -0.46527 661 LEU A CD1 
360  C CD2 . LEU A 84  ? 1.18393 0.83808 0.95344 0.00195  -0.16215 -0.43203 661 LEU A CD2 
361  N N   . PHE A 85  ? 1.21662 1.00104 0.85916 0.02695  -0.01299 -0.38261 662 PHE A N   
362  C CA  . PHE A 85  ? 1.21061 1.01063 0.88204 0.04512  0.02833  -0.39407 662 PHE A CA  
363  C C   . PHE A 85  ? 1.22295 1.05885 0.85067 0.04751  0.06734  -0.37946 662 PHE A C   
364  O O   . PHE A 85  ? 1.22239 1.07032 0.85412 0.06273  0.10465  -0.39887 662 PHE A O   
365  C CB  . PHE A 85  ? 1.16253 0.97250 0.92804 0.04772  0.02529  -0.36673 662 PHE A CB  
366  C CG  . PHE A 85  ? 1.14346 0.92141 0.96367 0.04445  -0.01110 -0.37407 662 PHE A CG  
367  C CD1 . PHE A 85  ? 1.21832 0.95837 1.03621 0.05296  -0.02167 -0.42065 662 PHE A CD1 
368  C CD2 . PHE A 85  ? 1.11937 0.90519 0.99342 0.03235  -0.03470 -0.33400 662 PHE A CD2 
369  C CE1 . PHE A 85  ? 1.21305 0.92141 1.08761 0.04818  -0.05838 -0.42456 662 PHE A CE1 
370  C CE2 . PHE A 85  ? 1.10911 0.86817 1.03665 0.02690  -0.06804 -0.33506 662 PHE A CE2 
371  C CZ  . PHE A 85  ? 1.17611 0.89539 1.10691 0.03411  -0.08154 -0.37894 662 PHE A CZ  
372  N N   . LYS A 86  ? 1.21178 1.06619 0.80595 0.03297  0.05960  -0.34387 663 LYS A N   
373  C CA  . LYS A 86  ? 1.22693 1.11211 0.77659 0.03228  0.09205  -0.32736 663 LYS A CA  
374  C C   . LYS A 86  ? 1.30137 1.18079 0.75384 0.02223  0.08562  -0.33484 663 LYS A C   
375  O O   . LYS A 86  ? 1.32216 1.22452 0.72681 0.02229  0.11618  -0.32771 663 LYS A O   
376  C CB  . LYS A 86  ? 1.16990 1.08217 0.75911 0.02430  0.09097  -0.27796 663 LYS A CB  
377  C CG  . LYS A 86  ? 1.17723 1.12143 0.77986 0.03102  0.13108  -0.26363 663 LYS A CG  
378  C CD  . LYS A 86  ? 1.10423 1.05593 0.79184 0.04105  0.13953  -0.25878 663 LYS A CD  
379  C CE  . LYS A 86  ? 1.06223 1.04122 0.78016 0.03584  0.14756  -0.21876 663 LYS A CE  
380  N NZ  . LYS A 86  ? 0.95901 0.94047 0.75292 0.03961  0.13915  -0.20576 663 LYS A NZ  
381  N N   . GLY A 87  ? 1.46486 1.31519 0.88755 0.01222  0.04536  -0.34659 664 GLY A N   
382  C CA  . GLY A 87  ? 1.52108 1.36113 0.84550 0.00274  0.03507  -0.35921 664 GLY A CA  
383  C C   . GLY A 87  ? 1.53956 1.38784 0.83935 -0.01660 0.00446  -0.31739 664 GLY A C   
384  O O   . GLY A 87  ? 1.57094 1.39699 0.82360 -0.02867 -0.03296 -0.32483 664 GLY A O   
385  N N   . GLN A 88  ? 1.33765 1.21647 0.67212 -0.01955 0.01765  -0.27388 665 GLN A N   
386  C CA  . GLN A 88  ? 1.31742 1.20577 0.63923 -0.03541 -0.00874 -0.23277 665 GLN A CA  
387  C C   . GLN A 88  ? 1.21916 1.12305 0.63033 -0.03479 -0.01449 -0.19900 665 GLN A C   
388  O O   . GLN A 88  ? 1.19108 1.10005 0.66364 -0.02373 0.00319  -0.20482 665 GLN A O   
389  C CB  . GLN A 88  ? 1.33186 1.24204 0.58897 -0.04114 0.01415  -0.21164 665 GLN A CB  
390  N N   . VAL A 89  ? 1.06650 0.97751 0.48416 -0.04658 -0.04095 -0.16418 666 VAL A N   
391  C CA  . VAL A 89  ? 0.96991 0.90046 0.45900 -0.04553 -0.04065 -0.12989 666 VAL A CA  
392  C C   . VAL A 89  ? 0.96371 0.90019 0.43933 -0.05808 -0.06824 -0.09633 666 VAL A C   
393  O O   . VAL A 89  ? 0.98407 0.90616 0.44081 -0.06800 -0.10456 -0.09770 666 VAL A O   
394  C CB  . VAL A 89  ? 0.93285 0.85774 0.49553 -0.04104 -0.05300 -0.13525 666 VAL A CB  
395  C CG1 . VAL A 89  ? 0.98510 0.89263 0.55084 -0.05153 -0.09573 -0.13772 666 VAL A CG1 
396  C CG2 . VAL A 89  ? 0.85380 0.80069 0.47863 -0.03758 -0.04403 -0.10549 666 VAL A CG2 
397  N N   . VAL A 90  ? 0.92268 0.87898 0.41064 -0.05810 -0.05362 -0.06589 667 VAL A N   
398  C CA  . VAL A 90  ? 0.94159 0.90283 0.41767 -0.06911 -0.07867 -0.03235 667 VAL A CA  
399  C C   . VAL A 90  ? 0.89427 0.86030 0.44294 -0.06886 -0.10383 -0.01408 667 VAL A C   
400  O O   . VAL A 90  ? 0.90059 0.86132 0.44813 -0.07816 -0.13980 -0.00204 667 VAL A O   
401  C CB  . VAL A 90  ? 0.93058 0.90859 0.39537 -0.06980 -0.05481 -0.00604 667 VAL A CB  
402  C CG1 . VAL A 90  ? 0.96117 0.94114 0.41459 -0.08166 -0.08424 0.03030  667 VAL A CG1 
403  C CG2 . VAL A 90  ? 0.98455 0.96412 0.38205 -0.06972 -0.02435 -0.02324 667 VAL A CG2 
404  N N   . GLN A 91  ? 0.80578 0.78357 0.41819 -0.05839 -0.08518 -0.01156 668 GLN A N   
405  C CA  . GLN A 91  ? 0.78525 0.77301 0.46714 -0.05584 -0.10012 0.00487  668 GLN A CA  
406  C C   . GLN A 91  ? 0.76407 0.74697 0.48100 -0.05369 -0.10721 -0.01354 668 GLN A C   
407  O O   . GLN A 91  ? 0.74980 0.72616 0.46373 -0.04809 -0.08867 -0.03626 668 GLN A O   
408  C CB  . GLN A 91  ? 0.71984 0.72324 0.44602 -0.04622 -0.07640 0.01897  668 GLN A CB  
409  C CG  . GLN A 91  ? 0.75959 0.76744 0.46983 -0.04921 -0.07441 0.04313  668 GLN A CG  
410  C CD  . GLN A 91  ? 0.71204 0.73082 0.47282 -0.03989 -0.05759 0.05454  668 GLN A CD  
411  O OE1 . GLN A 91  ? 0.69335 0.71470 0.45636 -0.03436 -0.03140 0.04525  668 GLN A OE1 
412  N NE2 . GLN A 91  ? 0.69908 0.72395 0.50400 -0.03752 -0.07372 0.07336  668 GLN A NE2 
413  N N   . THR A 92  ? 0.68053 0.66825 0.43780 -0.05842 -0.13454 -0.00075 669 THR A N   
414  C CA  . THR A 92  ? 0.66569 0.65294 0.46750 -0.05873 -0.14322 -0.00992 669 THR A CA  
415  C C   . THR A 92  ? 0.62972 0.63050 0.47476 -0.04777 -0.11385 -0.01064 669 THR A C   
416  O O   . THR A 92  ? 0.60358 0.61610 0.45506 -0.03992 -0.09194 -0.00158 669 THR A O   
417  C CB  . THR A 92  ? 0.65518 0.65387 0.50459 -0.06557 -0.17388 0.01112  669 THR A CB  
418  O OG1 . THR A 92  ? 0.61799 0.64110 0.51547 -0.05728 -0.16077 0.03357  669 THR A OG1 
419  C CG2 . THR A 92  ? 0.67811 0.66481 0.48579 -0.07731 -0.20740 0.01744  669 THR A CG2 
420  N N   . LEU A 93  ? 0.58442 0.58241 0.46073 -0.04854 -0.11676 -0.01988 670 LEU A N   
421  C CA  . LEU A 93  ? 0.57171 0.58401 0.48894 -0.04045 -0.09385 -0.01605 670 LEU A CA  
422  C C   . LEU A 93  ? 0.51983 0.55803 0.47576 -0.03557 -0.08680 0.00710  670 LEU A C   
423  O O   . LEU A 93  ? 0.49301 0.54086 0.45504 -0.02662 -0.06342 0.00935  670 LEU A O   
424  C CB  . LEU A 93  ? 0.53038 0.53775 0.48229 -0.04515 -0.10415 -0.02118 670 LEU A CB  
425  C CG  . LEU A 93  ? 0.51281 0.53415 0.50276 -0.03949 -0.08417 -0.01442 670 LEU A CG  
426  C CD1 . LEU A 93  ? 0.50176 0.51487 0.46733 -0.03049 -0.06012 -0.02910 670 LEU A CD1 
427  C CD2 . LEU A 93  ? 0.49583 0.51234 0.52387 -0.04761 -0.10015 -0.01254 670 LEU A CD2 
428  N N   . GLU A 94  ? 0.63269 0.68207 0.61806 -0.04085 -0.10783 0.02298  671 GLU A N   
429  C CA  . GLU A 94  ? 0.60406 0.67930 0.63282 -0.03389 -0.09993 0.04214  671 GLU A CA  
430  C C   . GLU A 94  ? 0.60480 0.67852 0.61114 -0.02560 -0.08610 0.04431  671 GLU A C   
431  O O   . GLU A 94  ? 0.57272 0.65944 0.60036 -0.01537 -0.06574 0.04733  671 GLU A O   
432  C CB  . GLU A 94  ? 0.61518 0.70241 0.68188 -0.04084 -0.12754 0.05918  671 GLU A CB  
433  C CG  . GLU A 94  ? 0.63833 0.73048 0.74148 -0.05080 -0.14354 0.06199  671 GLU A CG  
434  C CD  . GLU A 94  ? 0.72270 0.78340 0.78518 -0.06054 -0.15921 0.04142  671 GLU A CD  
435  O OE1 . GLU A 94  ? 0.71403 0.75164 0.72191 -0.06413 -0.17232 0.02909  671 GLU A OE1 
436  O OE2 . GLU A 94  ? 0.75504 0.81385 0.84010 -0.06436 -0.15792 0.03740  671 GLU A OE2 
437  N N   . GLU A 95  ? 0.55298 0.61006 0.51474 -0.03080 -0.09790 0.04317  672 GLU A N   
438  C CA  . GLU A 95  ? 0.55908 0.61444 0.50442 -0.02567 -0.08820 0.05073  672 GLU A CA  
439  C C   . GLU A 95  ? 0.55733 0.60919 0.48721 -0.01857 -0.05907 0.03846  672 GLU A C   
440  O O   . GLU A 95  ? 0.53600 0.59363 0.48289 -0.01062 -0.04583 0.04407  672 GLU A O   
441  C CB  . GLU A 95  ? 0.57330 0.61341 0.46850 -0.03553 -0.10694 0.05565  672 GLU A CB  
442  C CG  . GLU A 95  ? 0.60394 0.64675 0.51539 -0.04337 -0.14085 0.07150  672 GLU A CG  
443  C CD  . GLU A 95  ? 0.66570 0.69183 0.51571 -0.05515 -0.16166 0.07575  672 GLU A CD  
444  O OE1 . GLU A 95  ? 0.69909 0.71094 0.49071 -0.05855 -0.15041 0.05771  672 GLU A OE1 
445  O OE2 . GLU A 95  ? 0.69429 0.72257 0.55414 -0.06075 -0.18893 0.09747  672 GLU A OE2 
446  N N   . ARG A 96  ? 0.58206 0.62302 0.48293 -0.02120 -0.05093 0.02083  673 ARG A N   
447  C CA  . ARG A 96  ? 0.56746 0.60606 0.45802 -0.01528 -0.02590 0.01057  673 ARG A CA  
448  C C   . ARG A 96  ? 0.54415 0.59507 0.47456 -0.00753 -0.01337 0.01071  673 ARG A C   
449  O O   . ARG A 96  ? 0.54158 0.59445 0.47594 -0.00156 0.00242  0.00972  673 ARG A O   
450  C CB  . ARG A 96  ? 0.59251 0.61776 0.45137 -0.01810 -0.02065 -0.00942 673 ARG A CB  
451  C CG  . ARG A 96  ? 0.63158 0.64415 0.43986 -0.02583 -0.03194 -0.01427 673 ARG A CG  
452  C CD  . ARG A 96  ? 0.64611 0.64501 0.42281 -0.02537 -0.02216 -0.04010 673 ARG A CD  
453  N NE  . ARG A 96  ? 0.65078 0.63642 0.42901 -0.02995 -0.04298 -0.05420 673 ARG A NE  
454  C CZ  . ARG A 96  ? 0.66365 0.64281 0.46830 -0.02662 -0.04053 -0.06889 673 ARG A CZ  
455  N NH1 . ARG A 96  ? 0.61458 0.60028 0.44388 -0.01853 -0.01881 -0.07137 673 ARG A NH1 
456  N NH2 . ARG A 96  ? 0.68308 0.64740 0.49209 -0.03257 -0.06359 -0.07996 673 ARG A NH2 
457  N N   . THR A 97  ? 0.49945 0.55943 0.45879 -0.00872 -0.02123 0.01312  674 THR A N   
458  C CA  . THR A 97  ? 0.49482 0.56978 0.48564 -0.00258 -0.00859 0.01560  674 THR A CA  
459  C C   . THR A 97  ? 0.48830 0.57631 0.50101 0.00555  -0.00331 0.02475  674 THR A C   
460  O O   . THR A 97  ? 0.43582 0.52748 0.45268 0.01308  0.01176  0.02081  674 THR A O   
461  C CB  . THR A 97  ? 0.48297 0.56701 0.50044 -0.00808 -0.01774 0.02006  674 THR A CB  
462  O OG1 . THR A 97  ? 0.52989 0.59678 0.53098 -0.01413 -0.02359 0.00832  674 THR A OG1 
463  C CG2 . THR A 97  ? 0.44620 0.55037 0.49135 -0.00305 -0.00299 0.02655  674 THR A CG2 
464  N N   . GLU A 98  ? 0.53993 0.63332 0.56850 0.00453  -0.01773 0.03585  675 GLU A N   
465  C CA  . GLU A 98  ? 0.53301 0.63697 0.59002 0.01440  -0.01355 0.04279  675 GLU A CA  
466  C C   . GLU A 98  ? 0.53561 0.62549 0.57406 0.01935  -0.00473 0.03819  675 GLU A C   
467  O O   . GLU A 98  ? 0.54976 0.64382 0.60545 0.02948  0.00710  0.03349  675 GLU A O   
468  C CB  . GLU A 98  ? 0.54028 0.64973 0.62094 0.01190  -0.03482 0.05773  675 GLU A CB  
469  C CG  . GLU A 98  ? 0.53920 0.66801 0.67029 0.02423  -0.02885 0.06367  675 GLU A CG  
470  C CD  . GLU A 98  ? 0.59071 0.71925 0.74722 0.02458  -0.05041 0.07948  675 GLU A CD  
471  O OE1 . GLU A 98  ? 0.59476 0.72157 0.74791 0.01326  -0.07415 0.09027  675 GLU A OE1 
472  O OE2 . GLU A 98  ? 0.60305 0.73130 0.78439 0.03606  -0.04603 0.08086  675 GLU A OE2 
473  N N   . THR A 99  ? 0.46725 0.54073 0.47059 0.01193  -0.00992 0.03893  676 THR A N   
474  C CA  . THR A 99  ? 0.50171 0.56387 0.49248 0.01403  -0.00150 0.03837  676 THR A CA  
475  C C   . THR A 99  ? 0.50490 0.56733 0.49703 0.01936  0.01612  0.02473  676 THR A C   
476  O O   . THR A 99  ? 0.48823 0.54716 0.49401 0.02601  0.02154  0.02230  676 THR A O   
477  C CB  . THR A 99  ? 0.51656 0.56699 0.46669 0.00382  -0.00529 0.04249  676 THR A CB  
478  O OG1 . THR A 99  ? 0.52585 0.57513 0.46776 -0.00278 -0.02584 0.05557  676 THR A OG1 
479  C CG2 . THR A 99  ? 0.50969 0.55205 0.45439 0.00366  0.00258  0.04851  676 THR A CG2 
480  N N   . LEU A 100 ? 0.51835 0.58276 0.49812 0.01612  0.02204  0.01577  677 LEU A N   
481  C CA  . LEU A 100 ? 0.49419 0.55881 0.47507 0.01952  0.03434  0.00589  677 LEU A CA  
482  C C   . LEU A 100 ? 0.47541 0.55039 0.47698 0.02804  0.03928  0.00312  677 LEU A C   
483  O O   . LEU A 100 ? 0.47387 0.54499 0.47476 0.03232  0.04569  -0.00436 677 LEU A O   
484  C CB  . LEU A 100 ? 0.46779 0.53265 0.43975 0.01468  0.03587  -0.00014 677 LEU A CB  
485  C CG  . LEU A 100 ? 0.50984 0.56371 0.45948 0.00968  0.03806  -0.00525 677 LEU A CG  
486  C CD1 . LEU A 100 ? 0.48438 0.53542 0.43224 0.00661  0.03619  -0.01355 677 LEU A CD1 
487  C CD2 . LEU A 100 ? 0.46162 0.51169 0.41092 0.01149  0.04882  -0.00761 677 LEU A CD2 
488  N N   . LYS A 101 ? 0.45228 0.54154 0.47248 0.03049  0.03651  0.00839  678 LYS A N   
489  C CA  . LYS A 101 ? 0.46231 0.56598 0.50185 0.04027  0.04576  0.00470  678 LYS A CA  
490  C C   . LYS A 101 ? 0.48161 0.57459 0.52652 0.04962  0.04830  -0.00336 678 LYS A C   
491  O O   . LYS A 101 ? 0.46760 0.56408 0.51212 0.05755  0.05813  -0.01503 678 LYS A O   
492  C CB  . LYS A 101 ? 0.45187 0.57509 0.52153 0.04213  0.04238  0.01463  678 LYS A CB  
493  C CG  . LYS A 101 ? 0.43061 0.57475 0.52455 0.05440  0.05722  0.01011  678 LYS A CG  
494  C CD  . LYS A 101 ? 0.44642 0.61194 0.58330 0.05795  0.05375  0.02162  678 LYS A CD  
495  C CE  . LYS A 101 ? 0.45820 0.61104 0.61397 0.06156  0.03817  0.02669  678 LYS A CE  
496  N NZ  . LYS A 101 ? 0.46846 0.64369 0.67382 0.06540  0.03224  0.03924  678 LYS A NZ  
497  N N   . HIS A 102 ? 0.43128 0.50980 0.47966 0.04804  0.03819  0.00289  679 HIS A N   
498  C CA  . HIS A 102 ? 0.43451 0.49966 0.49700 0.05594  0.03648  -0.00222 679 HIS A CA  
499  C C   . HIS A 102 ? 0.44669 0.49512 0.49267 0.05254  0.03799  -0.00970 679 HIS A C   
500  O O   . HIS A 102 ? 0.45720 0.49112 0.51747 0.05773  0.03387  -0.01466 679 HIS A O   
501  C CB  . HIS A 102 ? 0.44765 0.50461 0.52644 0.05389  0.02198  0.01361  679 HIS A CB  
502  C CG  . HIS A 102 ? 0.45021 0.52222 0.55962 0.05970  0.01635  0.02112  679 HIS A CG  
503  N ND1 . HIS A 102 ? 0.45845 0.54102 0.56404 0.05109  0.00716  0.03409  679 HIS A ND1 
504  C CD2 . HIS A 102 ? 0.43362 0.51295 0.58272 0.07382  0.01829  0.01640  679 HIS A CD2 
505  C CE1 . HIS A 102 ? 0.44500 0.54236 0.59029 0.05832  0.00195  0.04033  679 HIS A CE1 
506  N NE2 . HIS A 102 ? 0.45668 0.55395 0.63052 0.07315  0.01064  0.02957  679 HIS A NE2 
507  N N   . ILE A 103 ? 0.48982 0.53903 0.51310 0.04401  0.04170  -0.01001 680 ILE A N   
508  C CA  . ILE A 103 ? 0.47712 0.51372 0.49318 0.03947  0.04173  -0.01356 680 ILE A CA  
509  C C   . ILE A 103 ? 0.50537 0.54193 0.51674 0.04462  0.04500  -0.02914 680 ILE A C   
510  O O   . ILE A 103 ? 0.46369 0.51349 0.46401 0.04551  0.05070  -0.03252 680 ILE A O   
511  C CB  . ILE A 103 ? 0.49604 0.53495 0.49611 0.02941  0.04480  -0.00689 680 ILE A CB  
512  C CG1 . ILE A 103 ? 0.49849 0.53667 0.49184 0.02375  0.04124  0.00684  680 ILE A CG1 
513  C CG2 . ILE A 103 ? 0.47279 0.50415 0.47540 0.02496  0.04649  -0.00877 680 ILE A CG2 
514  C CD1 . ILE A 103 ? 0.53696 0.56455 0.54310 0.02286  0.03444  0.01811  680 ILE A CD1 
515  N N   . ARG A 104 ? 0.48196 0.50274 0.50116 0.04690  0.03931  -0.03742 681 ARG A N   
516  C CA  . ARG A 104 ? 0.47945 0.49613 0.48877 0.05241  0.03864  -0.05541 681 ARG A CA  
517  C C   . ARG A 104 ? 0.48278 0.50821 0.47183 0.04593  0.04028  -0.05524 681 ARG A C   
518  O O   . ARG A 104 ? 0.46907 0.50155 0.43942 0.04952  0.04323  -0.06453 681 ARG A O   
519  C CB  . ARG A 104 ? 0.50648 0.50001 0.52949 0.05233  0.02669  -0.06343 681 ARG A CB  
520  C CG  . ARG A 104 ? 0.50019 0.48439 0.50761 0.05822  0.02193  -0.08637 681 ARG A CG  
521  C CD  . ARG A 104 ? 0.55476 0.51341 0.57866 0.05400  0.00469  -0.09276 681 ARG A CD  
522  N NE  . ARG A 104 ? 0.56166 0.50495 0.61913 0.05607  -0.00153 -0.08677 681 ARG A NE  
523  C CZ  . ARG A 104 ? 0.57119 0.50079 0.64205 0.06867  -0.00452 -0.10228 681 ARG A CZ  
524  N NH1 . ARG A 104 ? 0.55242 0.48418 0.60239 0.08163  0.00221  -0.12762 681 ARG A NH1 
525  N NH2 . ARG A 104 ? 0.55834 0.47240 0.66577 0.06854  -0.01384 -0.09151 681 ARG A NH2 
526  N N   . TRP A 105 ? 0.43706 0.46251 0.43057 0.03663  0.03853  -0.04431 682 TRP A N   
527  C CA  . TRP A 105 ? 0.45739 0.48738 0.44281 0.03091  0.03612  -0.04337 682 TRP A CA  
528  C C   . TRP A 105 ? 0.45136 0.49709 0.42553 0.02995  0.04239  -0.03757 682 TRP A C   
529  O O   . TRP A 105 ? 0.43670 0.48606 0.40486 0.02587  0.03828  -0.03537 682 TRP A O   
530  C CB  . TRP A 105 ? 0.41847 0.44536 0.42178 0.02342  0.03483  -0.03468 682 TRP A CB  
531  C CG  . TRP A 105 ? 0.46573 0.48091 0.48625 0.02218  0.03120  -0.03268 682 TRP A CG  
532  C CD1 . TRP A 105 ? 0.47630 0.49203 0.50598 0.01923  0.03699  -0.02118 682 TRP A CD1 
533  C CD2 . TRP A 105 ? 0.48372 0.48313 0.51415 0.02279  0.01869  -0.04122 682 TRP A CD2 
534  N NE1 . TRP A 105 ? 0.47408 0.47698 0.52323 0.01709  0.02952  -0.01800 682 TRP A NE1 
535  C CE2 . TRP A 105 ? 0.50644 0.49749 0.55939 0.01948  0.01727  -0.03161 682 TRP A CE2 
536  C CE3 . TRP A 105 ? 0.50858 0.49880 0.52871 0.02483  0.00675  -0.05607 682 TRP A CE3 
537  C CZ2 . TRP A 105 ? 0.50410 0.47612 0.57775 0.01818  0.00307  -0.03615 682 TRP A CZ2 
538  C CZ3 . TRP A 105 ? 0.52484 0.49482 0.55958 0.02440  -0.00775 -0.06488 682 TRP A CZ3 
539  C CH2 . TRP A 105 ? 0.52299 0.48329 0.58844 0.02101  -0.01008 -0.05471 682 TRP A CH2 
540  N N   . VAL A 106 ? 0.50137 0.55565 0.47710 0.03231  0.04912  -0.03275 683 VAL A N   
541  C CA  . VAL A 106 ? 0.49232 0.56004 0.46511 0.02934  0.05238  -0.02508 683 VAL A CA  
542  C C   . VAL A 106 ? 0.51587 0.59705 0.47776 0.03319  0.05710  -0.02669 683 VAL A C   
543  O O   . VAL A 106 ? 0.51537 0.60246 0.47924 0.04100  0.06344  -0.03200 683 VAL A O   
544  C CB  . VAL A 106 ? 0.47246 0.54321 0.45309 0.02848  0.05393  -0.01874 683 VAL A CB  
545  C CG1 . VAL A 106 ? 0.48936 0.57082 0.47237 0.02398  0.05344  -0.01141 683 VAL A CG1 
546  C CG2 . VAL A 106 ? 0.47791 0.53743 0.45990 0.02458  0.05252  -0.01764 683 VAL A CG2 
547  N N   . ASP A 107 ? 0.44920 0.53643 0.40094 0.02806  0.05471  -0.02132 684 ASP A N   
548  C CA  . ASP A 107 ? 0.46575 0.56989 0.40148 0.02991  0.06189  -0.01934 684 ASP A CA  
549  C C   . ASP A 107 ? 0.47793 0.60123 0.42681 0.02588  0.06763  -0.00379 684 ASP A C   
550  O O   . ASP A 107 ? 0.44352 0.58676 0.39104 0.03000  0.07972  -0.00150 684 ASP A O   
551  C CB  . ASP A 107 ? 0.50297 0.60454 0.41661 0.02451  0.05364  -0.01762 684 ASP A CB  
552  C CG  . ASP A 107 ? 0.54195 0.62426 0.44627 0.02702  0.04401  -0.03297 684 ASP A CG  
553  O OD1 . ASP A 107 ? 0.52806 0.60465 0.42772 0.03568  0.04874  -0.04853 684 ASP A OD1 
554  O OD2 . ASP A 107 ? 0.51755 0.58988 0.42578 0.02041  0.03023  -0.02913 684 ASP A OD2 
555  N N   . GLU A 108 ? 0.48433 0.60219 0.44951 0.01830  0.05946  0.00584  685 GLU A N   
556  C CA  . GLU A 108 ? 0.47417 0.60564 0.45650 0.01191  0.05926  0.02128  685 GLU A CA  
557  C C   . GLU A 108 ? 0.46012 0.57674 0.45944 0.00838  0.04985  0.01981  685 GLU A C   
558  O O   . GLU A 108 ? 0.48036 0.57962 0.47674 0.00856  0.04491  0.01150  685 GLU A O   
559  C CB  . GLU A 108 ? 0.48469 0.62408 0.46285 0.00323  0.05507  0.03714  685 GLU A CB  
560  C CG  . GLU A 108 ? 0.51428 0.66747 0.46293 0.00493  0.06326  0.03854  685 GLU A CG  
561  C CD  . GLU A 108 ? 0.56656 0.73185 0.51101 -0.00638 0.05847  0.06189  685 GLU A CD  
562  O OE1 . GLU A 108 ? 0.59321 0.74967 0.56229 -0.01472 0.04510  0.07462  685 GLU A OE1 
563  O OE2 . GLU A 108 ? 0.61159 0.79475 0.52772 -0.00718 0.06769  0.06805  685 GLU A OE2 
564  N N   . ILE A 109 ? 0.41073 0.53506 0.42796 0.00501  0.04743  0.02723  686 ILE A N   
565  C CA  . ILE A 109 ? 0.42216 0.53073 0.44790 0.00130  0.03672  0.02277  686 ILE A CA  
566  C C   . ILE A 109 ? 0.42197 0.53308 0.46990 -0.00819 0.02637  0.03488  686 ILE A C   
567  O O   . ILE A 109 ? 0.41529 0.54686 0.48018 -0.01214 0.02824  0.05011  686 ILE A O   
568  C CB  . ILE A 109 ? 0.43157 0.53987 0.45718 0.00493  0.03595  0.01814  686 ILE A CB  
569  C CG1 . ILE A 109 ? 0.42499 0.52830 0.43512 0.01341  0.04391  0.00873  686 ILE A CG1 
570  C CG2 . ILE A 109 ? 0.41029 0.50138 0.43377 -0.00033 0.02338  0.01229  686 ILE A CG2 
571  C CD1 . ILE A 109 ? 0.44155 0.54036 0.45189 0.01594  0.03968  0.00735  686 ILE A CD1 
572  N N   . ILE A 110 ? 0.36812 0.45893 0.42010 -0.01157 0.01605  0.02794  687 ILE A N   
573  C CA  . ILE A 110 ? 0.38711 0.47111 0.46355 -0.02038 0.00127  0.03436  687 ILE A CA  
574  C C   . ILE A 110 ? 0.42249 0.49068 0.49179 -0.02031 -0.00759 0.01904  687 ILE A C   
575  O O   . ILE A 110 ? 0.42979 0.47996 0.48025 -0.01557 -0.00585 0.00072  687 ILE A O   
576  C CB  . ILE A 110 ? 0.38380 0.45307 0.47291 -0.02282 -0.00597 0.03488  687 ILE A CB  
577  C CG1 . ILE A 110 ? 0.38444 0.47005 0.47273 -0.02463 -0.00025 0.05305  687 ILE A CG1 
578  C CG2 . ILE A 110 ? 0.40727 0.46430 0.52738 -0.03184 -0.02438 0.03994  687 ILE A CG2 
579  C CD1 . ILE A 110 ? 0.38848 0.46079 0.49395 -0.02765 -0.01100 0.05857  687 ILE A CD1 
580  N N   . SER A 111 ? 0.39848 0.47559 0.48210 -0.02594 -0.01680 0.02746  688 SER A N   
581  C CA  . SER A 111 ? 0.42377 0.48824 0.49521 -0.02735 -0.02877 0.01584  688 SER A CA  
582  C C   . SER A 111 ? 0.42811 0.49176 0.52919 -0.03851 -0.05043 0.02439  688 SER A C   
583  O O   . SER A 111 ? 0.40375 0.49120 0.53172 -0.04241 -0.05198 0.04311  688 SER A O   
584  C CB  . SER A 111 ? 0.44246 0.52035 0.49980 -0.02144 -0.02056 0.01824  688 SER A CB  
585  O OG  . SER A 111 ? 0.45972 0.52893 0.50881 -0.02561 -0.03710 0.01415  688 SER A OG  
586  N N   . PRO A 112 ? 0.46075 0.49734 0.56027 -0.04348 -0.06811 0.00949  689 PRO A N   
587  C CA  . PRO A 112 ? 0.47901 0.48938 0.54855 -0.03691 -0.06402 -0.01635 689 PRO A CA  
588  C C   . PRO A 112 ? 0.47013 0.47650 0.55901 -0.03416 -0.05666 -0.01450 689 PRO A C   
589  O O   . PRO A 112 ? 0.46371 0.48183 0.58680 -0.04069 -0.06119 0.00685  689 PRO A O   
590  C CB  . PRO A 112 ? 0.50624 0.49008 0.57213 -0.04359 -0.08858 -0.03366 689 PRO A CB  
591  C CG  . PRO A 112 ? 0.48635 0.47854 0.60292 -0.05605 -0.10822 -0.01175 689 PRO A CG  
592  C CD  . PRO A 112 ? 0.46813 0.49792 0.59973 -0.05591 -0.09432 0.01565  689 PRO A CD  
593  N N   . CYS A 113 ? 0.47902 0.47079 0.54894 -0.02532 -0.04597 -0.03427 690 CYS A N   
594  C CA  . CYS A 113 ? 0.49096 0.47603 0.58394 -0.02181 -0.04252 -0.03428 690 CYS A CA  
595  C C   . CYS A 113 ? 0.49958 0.45401 0.60579 -0.02056 -0.05578 -0.05726 690 CYS A C   
596  O O   . CYS A 113 ? 0.52396 0.46181 0.60718 -0.02059 -0.06305 -0.07879 690 CYS A O   
597  C CB  . CYS A 113 ? 0.48549 0.47827 0.55978 -0.01172 -0.02108 -0.03974 690 CYS A CB  
598  S SG  . CYS A 113 ? 0.48314 0.46384 0.51755 -0.00290 -0.00747 -0.06937 690 CYS A SG  
599  N N   . PRO A 114 ? 0.52541 0.46989 0.66849 -0.01938 -0.06124 -0.05414 691 PRO A N   
600  C CA  . PRO A 114 ? 0.53191 0.44453 0.69125 -0.01431 -0.07144 -0.08168 691 PRO A CA  
601  C C   . PRO A 114 ? 0.57462 0.48158 0.69987 -0.00038 -0.05003 -0.11287 691 PRO A C   
602  O O   . PRO A 114 ? 0.53811 0.46471 0.64595 0.00530  -0.02896 -0.10746 691 PRO A O   
603  C CB  . PRO A 114 ? 0.53749 0.44572 0.74926 -0.01506 -0.08020 -0.06505 691 PRO A CB  
604  C CG  . PRO A 114 ? 0.53601 0.47399 0.73877 -0.01468 -0.06436 -0.04022 691 PRO A CG  
605  C CD  . PRO A 114 ? 0.52421 0.48448 0.69310 -0.02113 -0.05814 -0.02774 691 PRO A CD  
606  N N   . TRP A 115 ? 0.66885 0.54918 0.78332 0.00453  -0.05531 -0.14612 692 TRP A N   
607  C CA  . TRP A 115 ? 0.67866 0.55677 0.76137 0.01808  -0.03097 -0.17575 692 TRP A CA  
608  C C   . TRP A 115 ? 0.67952 0.56182 0.80327 0.02979  -0.01637 -0.17720 692 TRP A C   
609  O O   . TRP A 115 ? 0.69335 0.59343 0.80239 0.03790  0.00913  -0.18035 692 TRP A O   
610  C CB  . TRP A 115 ? 0.74855 0.59643 0.80602 0.02165  -0.03898 -0.21471 692 TRP A CB  
611  C CG  . TRP A 115 ? 0.80881 0.65943 0.81612 0.03342  -0.01060 -0.24442 692 TRP A CG  
612  C CD1 . TRP A 115 ? 0.80943 0.64881 0.82516 0.04942  0.00792  -0.27792 692 TRP A CD1 
613  C CD2 . TRP A 115 ? 0.79482 0.66194 0.73806 0.02983  0.00322  -0.24174 692 TRP A CD2 
614  N NE1 . TRP A 115 ? 0.82582 0.67696 0.78274 0.05529  0.03544  -0.29543 692 TRP A NE1 
615  C CE2 . TRP A 115 ? 0.83333 0.70046 0.74427 0.04245  0.03141  -0.27182 692 TRP A CE2 
616  C CE3 . TRP A 115 ? 0.80976 0.69244 0.72372 0.01749  -0.00540 -0.21564 692 TRP A CE3 
617  C CZ2 . TRP A 115 ? 0.84132 0.72354 0.68733 0.04069  0.05006  -0.27289 692 TRP A CZ2 
618  C CZ3 . TRP A 115 ? 0.81793 0.71244 0.67223 0.01680  0.01017  -0.21769 692 TRP A CZ3 
619  C CH2 . TRP A 115 ? 0.83963 0.73375 0.65845 0.02715  0.03701  -0.24441 692 TRP A CH2 
620  N N   . VAL A 116 ? 0.63242 0.49971 0.81317 0.02962  -0.03428 -0.17123 693 VAL A N   
621  C CA  . VAL A 116 ? 0.62049 0.48960 0.85039 0.04034  -0.02665 -0.17044 693 VAL A CA  
622  C C   . VAL A 116 ? 0.58730 0.47239 0.84985 0.03025  -0.03979 -0.12802 693 VAL A C   
623  O O   . VAL A 116 ? 0.58350 0.46176 0.86494 0.01783  -0.06332 -0.10686 693 VAL A O   
624  C CB  . VAL A 116 ? 0.64414 0.47995 0.91959 0.05022  -0.03843 -0.19885 693 VAL A CB  
625  C CG1 . VAL A 116 ? 0.66687 0.47960 0.96899 0.03672  -0.07356 -0.18620 693 VAL A CG1 
626  C CG2 . VAL A 116 ? 0.60398 0.44452 0.94087 0.06122  -0.03335 -0.19264 693 VAL A CG2 
627  N N   . VAL A 117 ? 0.57194 0.47855 0.84163 0.03480  -0.02532 -0.11517 694 VAL A N   
628  C CA  . VAL A 117 ? 0.54685 0.46562 0.84608 0.02666  -0.03919 -0.07866 694 VAL A CA  
629  C C   . VAL A 117 ? 0.53807 0.43638 0.90372 0.02940  -0.05978 -0.07497 694 VAL A C   
630  O O   . VAL A 117 ? 0.53120 0.41695 0.93157 0.04401  -0.05333 -0.09986 694 VAL A O   
631  C CB  . VAL A 117 ? 0.54006 0.48343 0.83002 0.03030  -0.02284 -0.06881 694 VAL A CB  
632  C CG1 . VAL A 117 ? 0.50238 0.45357 0.82310 0.02259  -0.04129 -0.03475 694 VAL A CG1 
633  C CG2 . VAL A 117 ? 0.52857 0.49000 0.75969 0.02557  -0.00789 -0.06620 694 VAL A CG2 
634  N N   . THR A 118 ? 0.52538 0.42188 0.91235 0.01558  -0.08382 -0.04224 695 THR A N   
635  C CA  . THR A 118 ? 0.53449 0.41286 0.98753 0.01419  -0.10885 -0.02726 695 THR A CA  
636  C C   . THR A 118 ? 0.51333 0.41160 0.97676 0.00410  -0.12009 0.01554  695 THR A C   
637  O O   . THR A 118 ? 0.52646 0.44988 0.94214 -0.00480 -0.11154 0.03451  695 THR A O   
638  C CB  . THR A 118 ? 0.55362 0.41002 1.02616 0.00284  -0.13261 -0.02046 695 THR A CB  
639  O OG1 . THR A 118 ? 0.52808 0.40712 0.96775 -0.01493 -0.13580 0.01368  695 THR A OG1 
640  C CG2 . THR A 118 ? 0.56964 0.40408 1.02264 0.01093  -0.12582 -0.06425 695 THR A CG2 
641  N N   . PRO A 119 ? 0.69265 0.56179 0.78106 -0.02458 -0.06184 -0.03788 696 PRO A N   
642  C CA  . PRO A 119 ? 0.69224 0.55039 0.77806 -0.01999 -0.04949 -0.01122 696 PRO A CA  
643  C C   . PRO A 119 ? 0.66999 0.51856 0.77896 -0.03251 -0.04152 0.00987  696 PRO A C   
644  O O   . PRO A 119 ? 0.66777 0.52159 0.76456 -0.02999 -0.03033 0.03216  696 PRO A O   
645  C CB  . PRO A 119 ? 0.69647 0.52532 0.78455 -0.00732 -0.05186 -0.01705 696 PRO A CB  
646  C CG  . PRO A 119 ? 0.70223 0.54237 0.78644 -0.00203 -0.06246 -0.04858 696 PRO A CG  
647  C CD  . PRO A 119 ? 0.68267 0.53493 0.77511 -0.01531 -0.06996 -0.05988 696 PRO A CD  
648  N N   . GLU A 120 ? 0.64856 0.48482 0.79371 -0.04536 -0.04697 0.00177  697 GLU A N   
649  C CA  . GLU A 120 ? 0.65193 0.48368 0.83034 -0.05972 -0.03617 0.02002  697 GLU A CA  
650  C C   . GLU A 120 ? 0.64075 0.50714 0.81336 -0.06464 -0.03387 0.02578  697 GLU A C   
651  O O   . GLU A 120 ? 0.65393 0.52364 0.82971 -0.06677 -0.01766 0.04906  697 GLU A O   
652  C CB  . GLU A 120 ? 0.62236 0.43975 0.85092 -0.07364 -0.04664 0.00412  697 GLU A CB  
653  C CG  . GLU A 120 ? 0.67879 0.45521 0.92172 -0.07121 -0.04804 0.00296  697 GLU A CG  
654  C CD  . GLU A 120 ? 0.70133 0.47298 0.91110 -0.05370 -0.06179 -0.01794 697 GLU A CD  
655  O OE1 . GLU A 120 ? 0.69354 0.49517 0.87282 -0.04604 -0.06831 -0.03239 697 GLU A OE1 
656  O OE2 . GLU A 120 ? 0.72920 0.46625 0.94441 -0.04756 -0.06498 -0.01966 697 GLU A OE2 
657  N N   . PHE A 121 ? 0.51823 0.40774 0.67926 -0.06495 -0.05025 0.00444  698 PHE A N   
658  C CA  . PHE A 121 ? 0.51074 0.42970 0.65882 -0.06703 -0.05270 0.00761  698 PHE A CA  
659  C C   . PHE A 121 ? 0.52649 0.45436 0.64075 -0.05672 -0.04012 0.02932  698 PHE A C   
660  O O   . PHE A 121 ? 0.50132 0.44326 0.61850 -0.05850 -0.03333 0.04407  698 PHE A O   
661  C CB  . PHE A 121 ? 0.51508 0.44654 0.63928 -0.06454 -0.07210 -0.01744 698 PHE A CB  
662  C CG  . PHE A 121 ? 0.48671 0.44193 0.59308 -0.06593 -0.07924 -0.01638 698 PHE A CG  
663  C CD1 . PHE A 121 ? 0.48683 0.45061 0.62313 -0.07450 -0.09162 -0.02555 698 PHE A CD1 
664  C CD2 . PHE A 121 ? 0.50492 0.47241 0.56828 -0.05826 -0.07614 -0.00860 698 PHE A CD2 
665  C CE1 . PHE A 121 ? 0.47896 0.46119 0.59708 -0.07369 -0.10194 -0.02655 698 PHE A CE1 
666  C CE2 . PHE A 121 ? 0.48773 0.47180 0.53291 -0.05928 -0.08517 -0.00761 698 PHE A CE2 
667  C CZ  . PHE A 121 ? 0.45853 0.44885 0.52836 -0.06614 -0.09888 -0.01669 698 PHE A CZ  
668  N N   . LEU A 122 ? 0.56030 0.48149 0.64508 -0.04428 -0.03880 0.02886  699 LEU A N   
669  C CA  . LEU A 122 ? 0.57509 0.50338 0.63213 -0.03239 -0.03176 0.04558  699 LEU A CA  
670  C C   . LEU A 122 ? 0.57776 0.49026 0.64031 -0.02852 -0.01684 0.07021  699 LEU A C   
671  O O   . LEU A 122 ? 0.55434 0.47851 0.60169 -0.02221 -0.01237 0.08462  699 LEU A O   
672  C CB  . LEU A 122 ? 0.56875 0.49141 0.60560 -0.01924 -0.03378 0.03770  699 LEU A CB  
673  C CG  . LEU A 122 ? 0.58884 0.52661 0.61565 -0.02138 -0.04213 0.01499  699 LEU A CG  
674  C CD1 . LEU A 122 ? 0.60782 0.54249 0.62581 -0.00806 -0.04031 0.00689  699 LEU A CD1 
675  C CD2 . LEU A 122 ? 0.56739 0.53014 0.57613 -0.02616 -0.04613 0.01664  699 LEU A CD2 
676  N N   . GLU A 123 ? 0.68809 0.57085 0.76863 -0.03075 -0.00871 0.07572  700 GLU A N   
677  C CA  . GLU A 123 ? 0.71014 0.57082 0.79025 -0.02713 0.01004  0.10201  700 GLU A CA  
678  C C   . GLU A 123 ? 0.71244 0.59199 0.81943 -0.04047 0.02104  0.11149  700 GLU A C   
679  O O   . GLU A 123 ? 0.70615 0.58988 0.79714 -0.03272 0.03440  0.13093  700 GLU A O   
680  C CB  . GLU A 123 ? 0.73195 0.55163 0.82694 -0.02918 0.01613  0.10590  700 GLU A CB  
681  C CG  . GLU A 123 ? 0.77585 0.56764 0.83897 -0.00931 0.00979  0.10468  700 GLU A CG  
682  C CD  . GLU A 123 ? 0.84536 0.60879 0.87244 0.00884  0.02293  0.13173  700 GLU A CD  
683  O OE1 . GLU A 123 ? 0.85019 0.63291 0.85621 0.01670  0.02739  0.14244  700 GLU A OE1 
684  O OE2 . GLU A 123 ? 0.88490 0.60313 0.90115 0.01705  0.02748  0.14213  700 GLU A OE2 
685  N N   . LYS A 124 ? 0.58774 0.47859 0.73759 -0.05861 0.01436  0.09568  701 LYS A N   
686  C CA  . LYS A 124 ? 0.62075 0.53365 0.80812 -0.07184 0.02201  0.09907  701 LYS A CA  
687  C C   . LYS A 124 ? 0.59784 0.54151 0.75976 -0.06326 0.01947  0.10350  701 LYS A C   
688  O O   . LYS A 124 ? 0.60330 0.55685 0.77404 -0.06278 0.03654  0.11977  701 LYS A O   
689  C CB  . LYS A 124 ? 0.61926 0.54309 0.85166 -0.08775 0.00367  0.07226  701 LYS A CB  
690  C CG  . LYS A 124 ? 0.59635 0.54988 0.87196 -0.09957 0.00245  0.06636  701 LYS A CG  
691  C CD  . LYS A 124 ? 0.58645 0.54022 0.91567 -0.11389 -0.01662 0.03927  701 LYS A CD  
692  C CE  . LYS A 124 ? 0.55666 0.54255 0.93084 -0.12279 -0.02503 0.02676  701 LYS A CE  
693  N NZ  . LYS A 124 ? 0.50401 0.48754 0.93832 -0.13512 -0.04598 -0.00142 701 LYS A NZ  
694  N N   . TYR A 125 ? 0.53449 0.49296 0.66568 -0.05636 -0.00076 0.08916  702 TYR A N   
695  C CA  . TYR A 125 ? 0.54719 0.53203 0.65696 -0.04945 -0.00778 0.09113  702 TYR A CA  
696  C C   . TYR A 125 ? 0.53511 0.51381 0.59965 -0.03008 -0.00463 0.10552  702 TYR A C   
697  O O   . TYR A 125 ? 0.51526 0.51264 0.55937 -0.02266 -0.01425 0.10568  702 TYR A O   
698  C CB  . TYR A 125 ? 0.52404 0.52592 0.62811 -0.05477 -0.03211 0.06815  702 TYR A CB  
699  C CG  . TYR A 125 ? 0.50114 0.51177 0.64919 -0.06936 -0.04141 0.05129  702 TYR A CG  
700  C CD1 . TYR A 125 ? 0.48975 0.52344 0.66231 -0.07316 -0.04435 0.05003  702 TYR A CD1 
701  C CD2 . TYR A 125 ? 0.49487 0.49089 0.66324 -0.07728 -0.04991 0.03370  702 TYR A CD2 
702  C CE1 . TYR A 125 ? 0.48097 0.52396 0.70227 -0.08521 -0.05640 0.03069  702 TYR A CE1 
703  C CE2 . TYR A 125 ? 0.51829 0.52078 0.73173 -0.08857 -0.06302 0.01481  702 TYR A CE2 
704  C CZ  . TYR A 125 ? 0.50039 0.52679 0.74239 -0.09280 -0.06666 0.01292  702 TYR A CZ  
705  O OH  . TYR A 125 ? 0.46674 0.50047 0.76068 -0.10265 -0.08312 -0.00959 702 TYR A OH  
706  N N   . LYS A 126 ? 0.64708 0.59755 0.69713 -0.02046 0.00570  0.11618  703 LYS A N   
707  C CA  . LYS A 126 ? 0.65053 0.59064 0.66062 0.00131  0.00521  0.12713  703 LYS A CA  
708  C C   . LYS A 126 ? 0.62187 0.58172 0.61405 0.00618  -0.01457 0.11340  703 LYS A C   
709  O O   . LYS A 126 ? 0.61637 0.58484 0.58684 0.01981  -0.02083 0.11904  703 LYS A O   
710  C CB  . LYS A 126 ? 0.64444 0.58445 0.64026 0.01320  0.01923  0.14782  703 LYS A CB  
711  C CG  . LYS A 126 ? 0.68638 0.60246 0.69610 0.00896  0.04586  0.16636  703 LYS A CG  
712  C CD  . LYS A 126 ? 0.71409 0.58825 0.70837 0.01634  0.05000  0.17214  703 LYS A CD  
713  C CE  . LYS A 126 ? 0.78621 0.62956 0.79329 0.00981  0.07787  0.19315  703 LYS A CE  
714  N NZ  . LYS A 126 ? 0.78881 0.58561 0.78066 0.01652  0.07800  0.19738  703 LYS A NZ  
715  N N   . ILE A 127 ? 0.53724 0.50237 0.53892 -0.00476 -0.02378 0.09509  704 ILE A N   
716  C CA  . ILE A 127 ? 0.54544 0.52679 0.53242 -0.00380 -0.03714 0.08278  704 ILE A CA  
717  C C   . ILE A 127 ? 0.55010 0.52049 0.52497 0.01116  -0.03826 0.08126  704 ILE A C   
718  O O   . ILE A 127 ? 0.56402 0.51398 0.54434 0.01518  -0.03341 0.07850  704 ILE A O   
719  C CB  . ILE A 127 ? 0.54493 0.53274 0.54080 -0.01885 -0.04331 0.06405  704 ILE A CB  
720  C CG1 . ILE A 127 ? 0.53774 0.53827 0.54559 -0.03054 -0.04930 0.06147  704 ILE A CG1 
721  C CG2 . ILE A 127 ? 0.51688 0.51459 0.49466 -0.01736 -0.04944 0.05317  704 ILE A CG2 
722  C CD1 . ILE A 127 ? 0.52532 0.52516 0.53967 -0.04172 -0.05871 0.04134  704 ILE A CD1 
723  N N   . ASP A 128 ? 0.59667 0.57961 0.55908 0.02013  -0.04682 0.08156  705 ASP A N   
724  C CA  . ASP A 128 ? 0.56287 0.53951 0.52268 0.03549  -0.05116 0.07658  705 ASP A CA  
725  C C   . ASP A 128 ? 0.57564 0.56742 0.54530 0.02736  -0.05253 0.05908  705 ASP A C   
726  O O   . ASP A 128 ? 0.58238 0.56811 0.56140 0.03568  -0.05189 0.04870  705 ASP A O   
727  C CB  . ASP A 128 ? 0.54006 0.52071 0.48791 0.05227  -0.06155 0.08471  705 ASP A CB  
728  C CG  . ASP A 128 ? 0.56807 0.53056 0.49822 0.06680  -0.05768 0.10199  705 ASP A CG  
729  O OD1 . ASP A 128 ? 0.56444 0.49980 0.48718 0.07729  -0.05068 0.10748  705 ASP A OD1 
730  O OD2 . ASP A 128 ? 0.52629 0.49988 0.44780 0.06824  -0.06055 0.11039  705 ASP A OD2 
731  N N   . TYR A 129 ? 0.52020 0.53002 0.48601 0.01261  -0.05376 0.05556  706 TYR A N   
732  C CA  . TYR A 129 ? 0.51294 0.53624 0.48092 0.00416  -0.05021 0.04220  706 TYR A CA  
733  C C   . TYR A 129 ? 0.55154 0.57794 0.50523 -0.01188 -0.04877 0.03761  706 TYR A C   
734  O O   . TYR A 129 ? 0.51618 0.54292 0.46078 -0.01722 -0.05578 0.04524  706 TYR A O   
735  C CB  . TYR A 129 ? 0.51028 0.54856 0.48144 0.00633  -0.05517 0.04461  706 TYR A CB  
736  C CG  . TYR A 129 ? 0.51523 0.55088 0.50245 0.02506  -0.06231 0.04473  706 TYR A CG  
737  C CD1 . TYR A 129 ? 0.52247 0.56299 0.53225 0.03154  -0.05868 0.03046  706 TYR A CD1 
738  C CD2 . TYR A 129 ? 0.47635 0.50433 0.45562 0.03891  -0.07432 0.05677  706 TYR A CD2 
739  C CE1 . TYR A 129 ? 0.50413 0.54045 0.53040 0.05149  -0.07013 0.02694  706 TYR A CE1 
740  C CE2 . TYR A 129 ? 0.47112 0.49201 0.45952 0.06045  -0.08509 0.05454  706 TYR A CE2 
741  C CZ  . TYR A 129 ? 0.48476 0.50906 0.49768 0.06668  -0.08463 0.03904  706 TYR A CZ  
742  O OH  . TYR A 129 ? 0.45959 0.47500 0.48352 0.09078  -0.10005 0.03327  706 TYR A OH  
743  N N   . VAL A 130 ? 0.46425 0.49250 0.41474 -0.01701 -0.04103 0.02315  707 VAL A N   
744  C CA  . VAL A 130 ? 0.47981 0.50784 0.40724 -0.02810 -0.04104 0.01610  707 VAL A CA  
745  C C   . VAL A 130 ? 0.51689 0.55619 0.42959 -0.03296 -0.03375 0.01712  707 VAL A C   
746  O O   . VAL A 130 ? 0.51148 0.56064 0.43851 -0.02979 -0.02185 0.01100  707 VAL A O   
747  C CB  . VAL A 130 ? 0.52842 0.54714 0.45558 -0.02793 -0.03714 -0.00153 707 VAL A CB  
748  C CG1 . VAL A 130 ? 0.52910 0.54489 0.42307 -0.03465 -0.03819 -0.01103 707 VAL A CG1 
749  C CG2 . VAL A 130 ? 0.49627 0.50064 0.44214 -0.02689 -0.04454 -0.00080 707 VAL A CG2 
750  N N   . ALA A 131 ? 0.53324 0.57032 0.42047 -0.04062 -0.04074 0.02479  708 ALA A N   
751  C CA  . ALA A 131 ? 0.56616 0.60756 0.43517 -0.04763 -0.03299 0.02984  708 ALA A CA  
752  C C   . ALA A 131 ? 0.62595 0.65413 0.45118 -0.05354 -0.02936 0.02303  708 ALA A C   
753  O O   . ALA A 131 ? 0.61791 0.63288 0.42186 -0.05385 -0.04527 0.02089  708 ALA A O   
754  C CB  . ALA A 131 ? 0.54538 0.58785 0.41351 -0.04948 -0.04651 0.04553  708 ALA A CB  
755  N N   . HIS A 132 ? 0.57857 0.60984 0.39040 -0.05658 -0.00855 0.01840  709 HIS A N   
756  C CA  . HIS A 132 ? 0.62813 0.64314 0.38959 -0.05779 -0.00201 0.01046  709 HIS A CA  
757  C C   . HIS A 132 ? 0.65196 0.67455 0.40329 -0.06292 0.02748  0.01256  709 HIS A C   
758  O O   . HIS A 132 ? 0.63889 0.68374 0.43475 -0.06348 0.04219  0.01156  709 HIS A O   
759  C CB  . HIS A 132 ? 0.65490 0.66379 0.41551 -0.04895 -0.00675 -0.00994 709 HIS A CB  
760  C CG  . HIS A 132 ? 0.68473 0.66989 0.39001 -0.04558 -0.01477 -0.02013 709 HIS A CG  
761  N ND1 . HIS A 132 ? 0.69134 0.66791 0.35169 -0.04230 0.00425  -0.02761 709 HIS A ND1 
762  C CD2 . HIS A 132 ? 0.67160 0.63883 0.35916 -0.04271 -0.04095 -0.02600 709 HIS A CD2 
763  C CE1 . HIS A 132 ? 0.73911 0.68932 0.34920 -0.03549 -0.01227 -0.03747 709 HIS A CE1 
764  N NE2 . HIS A 132 ? 0.70903 0.65416 0.33881 -0.03592 -0.04147 -0.03801 709 HIS A NE2 
765  N N   . ASP A 133 ? 0.83510 0.83792 0.52812 -0.06587 0.03624  0.01530  710 ASP A N   
766  C CA  . ASP A 133 ? 0.86783 0.87733 0.54921 -0.07127 0.07088  0.01795  710 ASP A CA  
767  C C   . ASP A 133 ? 0.90895 0.93138 0.59896 -0.06125 0.08850  -0.00436 710 ASP A C   
768  O O   . ASP A 133 ? 0.89123 0.90652 0.57659 -0.05014 0.07169  -0.02127 710 ASP A O   
769  C CB  . ASP A 133 ? 0.92051 0.89889 0.52787 -0.07628 0.07840  0.03085  710 ASP A CB  
770  C CG  . ASP A 133 ? 0.96846 0.91687 0.50922 -0.06345 0.06464  0.01703  710 ASP A CG  
771  O OD1 . ASP A 133 ? 0.97562 0.92926 0.53230 -0.05234 0.05071  -0.00359 710 ASP A OD1 
772  O OD2 . ASP A 133 ? 1.03727 0.95292 0.50744 -0.06345 0.06624  0.02644  710 ASP A OD2 
773  N N   . ASP A 134 ? 1.02245 1.06550 0.73201 -0.06536 0.12230  -0.00548 711 ASP A N   
774  C CA  . ASP A 134 ? 1.01518 1.07906 0.74915 -0.05539 0.14097  -0.02801 711 ASP A CA  
775  C C   . ASP A 134 ? 1.04983 1.10699 0.72918 -0.05460 0.17600  -0.03056 711 ASP A C   
776  O O   . ASP A 134 ? 1.04981 1.12500 0.74659 -0.06455 0.21046  -0.02261 711 ASP A O   
777  C CB  . ASP A 134 ? 1.00063 1.09990 0.81620 -0.05830 0.15014  -0.03082 711 ASP A CB  
778  C CG  . ASP A 134 ? 1.01050 1.12434 0.86608 -0.04324 0.14239  -0.05530 711 ASP A CG  
779  O OD1 . ASP A 134 ? 1.01945 1.11685 0.84415 -0.03227 0.13042  -0.06943 711 ASP A OD1 
780  O OD2 . ASP A 134 ? 1.01156 1.15083 0.93090 -0.04133 0.14551  -0.06153 711 ASP A OD2 
781  N N   . ILE A 135 ? 1.13560 1.16576 0.74945 -0.04201 0.16753  -0.04203 712 ILE A N   
782  C CA  . ILE A 135 ? 1.18696 1.20344 0.73291 -0.03633 0.19908  -0.04495 712 ILE A CA  
783  C C   . ILE A 135 ? 1.21100 1.24615 0.76869 -0.01955 0.21373  -0.07457 712 ILE A C   
784  O O   . ILE A 135 ? 1.20077 1.26427 0.78328 -0.02121 0.25244  -0.07930 712 ILE A O   
785  C CB  . ILE A 135 ? 1.22176 1.19015 0.67575 -0.02865 0.17796  -0.04043 712 ILE A CB  
786  N N   . ASP A 144 ? 0.87168 0.94291 0.66384 0.06512  0.10377  -0.22700 739 ASP A N   
787  C CA  . ASP A 144 ? 0.84080 0.91620 0.66071 0.04606  0.09934  -0.19690 739 ASP A CA  
788  C C   . ASP A 144 ? 0.84271 0.89152 0.67746 0.04230  0.06236  -0.18884 739 ASP A C   
789  O O   . ASP A 144 ? 0.82711 0.87440 0.70871 0.04574  0.04775  -0.19212 739 ASP A O   
790  C CB  . ASP A 144 ? 0.80770 0.91575 0.69050 0.04380  0.11502  -0.19559 739 ASP A CB  
791  C CG  . ASP A 144 ? 0.83899 0.95296 0.74465 0.02657  0.11311  -0.16614 739 ASP A CG  
792  O OD1 . ASP A 144 ? 0.84078 0.93418 0.71527 0.01610  0.09939  -0.14614 739 ASP A OD1 
793  O OD2 . ASP A 144 ? 0.79975 0.93921 0.75706 0.02541  0.12301  -0.16561 739 ASP A OD2 
794  N N   . ILE A 145 ? 0.88335 0.90964 0.67759 0.03578  0.04790  -0.17824 740 ILE A N   
795  C CA  . ILE A 145 ? 0.85764 0.86100 0.66831 0.03135  0.01591  -0.17246 740 ILE A CA  
796  C C   . ILE A 145 ? 0.84774 0.85885 0.70514 0.02056  0.01172  -0.14997 740 ILE A C   
797  O O   . ILE A 145 ? 0.81912 0.81385 0.70088 0.01792  -0.00921 -0.14500 740 ILE A O   
798  C CB  . ILE A 145 ? 0.87698 0.85954 0.63948 0.02659  0.00168  -0.16626 740 ILE A CB  
799  C CG1 . ILE A 145 ? 0.92112 0.89250 0.62190 0.04061  0.00798  -0.18658 740 ILE A CG1 
800  C CG2 . ILE A 145 ? 0.91702 0.87796 0.70366 0.02454  -0.03088 -0.16942 740 ILE A CG2 
801  C CD1 . ILE A 145 ? 0.87195 0.83167 0.57834 0.05827  -0.00642 -0.21815 740 ILE A CD1 
802  N N   . TYR A 146 ? 0.89495 0.92949 0.76588 0.01510  0.03159  -0.13672 741 TYR A N   
803  C CA  . TYR A 146 ? 0.86572 0.90632 0.77260 0.00809  0.02626  -0.11604 741 TYR A CA  
804  C C   . TYR A 146 ? 0.82990 0.88266 0.78342 0.01794  0.02944  -0.12438 741 TYR A C   
805  O O   . TYR A 146 ? 0.82090 0.87724 0.80140 0.01663  0.02428  -0.10984 741 TYR A O   
806  C CB  . TYR A 146 ? 0.87553 0.92938 0.76737 -0.00404 0.03897  -0.09571 741 TYR A CB  
807  C CG  . TYR A 146 ? 0.92104 0.95722 0.76813 -0.01240 0.02855  -0.08475 741 TYR A CG  
808  C CD1 . TYR A 146 ? 0.89319 0.91319 0.74664 -0.01572 0.00466  -0.07620 741 TYR A CD1 
809  C CD2 . TYR A 146 ? 0.92840 0.96258 0.72688 -0.01598 0.04295  -0.08324 741 TYR A CD2 
810  C CE1 . TYR A 146 ? 0.89785 0.90362 0.71697 -0.02154 -0.00820 -0.06991 741 TYR A CE1 
811  C CE2 . TYR A 146 ? 0.93769 0.95097 0.69196 -0.02056 0.02862  -0.07509 741 TYR A CE2 
812  C CZ  . TYR A 146 ? 0.94268 0.94360 0.71090 -0.02291 0.00124  -0.07020 741 TYR A CZ  
813  O OH  . TYR A 146 ? 0.95847 0.94081 0.68930 -0.02579 -0.01598 -0.06574 741 TYR A OH  
814  N N   . ALA A 147 ? 0.62465 0.68175 0.58633 0.03057  0.03501  -0.14949 742 ALA A N   
815  C CA  . ALA A 147 ? 0.59797 0.66616 0.60442 0.04268  0.03546  -0.16144 742 ALA A CA  
816  C C   . ALA A 147 ? 0.56679 0.61138 0.59590 0.04602  0.01260  -0.14911 742 ALA A C   
817  O O   . ALA A 147 ? 0.54241 0.59414 0.59986 0.05097  0.01034  -0.14288 742 ALA A O   
818  C CB  . ALA A 147 ? 0.60038 0.67082 0.60926 0.05798  0.03899  -0.19286 742 ALA A CB  
819  N N   . TRP A 148 ? 0.61882 0.63324 0.63556 0.04400  -0.00438 -0.14530 743 TRP A N   
820  C CA  . TRP A 148 ? 0.60339 0.59152 0.63832 0.04736  -0.02090 -0.13183 743 TRP A CA  
821  C C   . TRP A 148 ? 0.60036 0.59198 0.63409 0.03955  -0.02077 -0.10426 743 TRP A C   
822  O O   . TRP A 148 ? 0.58769 0.56574 0.63543 0.04794  -0.02878 -0.09392 743 TRP A O   
823  C CB  . TRP A 148 ? 0.61727 0.57353 0.64692 0.04375  -0.03563 -0.13254 743 TRP A CB  
824  C CG  . TRP A 148 ? 0.61554 0.56975 0.62564 0.02804  -0.03771 -0.11904 743 TRP A CG  
825  C CD1 . TRP A 148 ? 0.63146 0.59401 0.61514 0.02304  -0.03577 -0.12976 743 TRP A CD1 
826  C CD2 . TRP A 148 ? 0.62341 0.56526 0.63771 0.01764  -0.04325 -0.09401 743 TRP A CD2 
827  N NE1 . TRP A 148 ? 0.64026 0.59628 0.61480 0.01038  -0.04324 -0.11465 743 TRP A NE1 
828  C CE2 . TRP A 148 ? 0.62160 0.56796 0.61802 0.00605  -0.04640 -0.09298 743 TRP A CE2 
829  C CE3 . TRP A 148 ? 0.61286 0.53908 0.64123 0.01911  -0.04540 -0.07313 743 TRP A CE3 
830  C CZ2 . TRP A 148 ? 0.62120 0.56217 0.62209 -0.00519 -0.05154 -0.07387 743 TRP A CZ2 
831  C CZ3 . TRP A 148 ? 0.62179 0.54219 0.64976 0.00780  -0.04670 -0.05202 743 TRP A CZ3 
832  C CH2 . TRP A 148 ? 0.63123 0.56160 0.64984 -0.00482 -0.04970 -0.05347 743 TRP A CH2 
833  N N   . LEU A 149 ? 0.50852 0.51467 0.52163 0.02605  -0.01360 -0.09270 744 LEU A N   
834  C CA  . LEU A 149 ? 0.51155 0.52255 0.52470 0.02087  -0.01523 -0.06915 744 LEU A CA  
835  C C   . LEU A 149 ? 0.47445 0.50606 0.50973 0.02889  -0.00957 -0.07143 744 LEU A C   
836  O O   . LEU A 149 ? 0.44890 0.47361 0.49578 0.03679  -0.01887 -0.05997 744 LEU A O   
837  C CB  . LEU A 149 ? 0.50078 0.51945 0.48687 0.00583  -0.01234 -0.05796 744 LEU A CB  
838  C CG  . LEU A 149 ? 0.52968 0.52731 0.50557 -0.00100 -0.02417 -0.05287 744 LEU A CG  
839  C CD1 . LEU A 149 ? 0.50593 0.50742 0.45150 -0.01112 -0.02483 -0.05508 744 LEU A CD1 
840  C CD2 . LEU A 149 ? 0.47570 0.46274 0.46160 -0.00213 -0.03152 -0.03120 744 LEU A CD2 
841  N N   . LYS A 150 ? 0.50995 0.56638 0.55305 0.02845  0.00568  -0.08760 745 LYS A N   
842  C CA  . LYS A 150 ? 0.49189 0.57189 0.56908 0.03492  0.01145  -0.09339 745 LYS A CA  
843  C C   . LYS A 150 ? 0.48235 0.55055 0.58862 0.05515  -0.00317 -0.10518 745 LYS A C   
844  O O   . LYS A 150 ? 0.45156 0.52342 0.58156 0.06478  -0.01270 -0.10228 745 LYS A O   
845  C CB  . LYS A 150 ? 0.48487 0.59467 0.56882 0.02965  0.03603  -0.10961 745 LYS A CB  
846  C CG  . LYS A 150 ? 0.50829 0.62219 0.55265 0.01204  0.05106  -0.09753 745 LYS A CG  
847  C CD  . LYS A 150 ? 0.55160 0.68904 0.59263 0.00911  0.08027  -0.11301 745 LYS A CD  
848  C CE  . LYS A 150 ? 0.58968 0.72223 0.58004 -0.00628 0.09433  -0.09809 745 LYS A CE  
849  N NZ  . LYS A 150 ? 0.61274 0.76382 0.58957 -0.00878 0.12788  -0.10906 745 LYS A NZ  
850  N N   . ARG A 151 ? 0.56763 0.61788 0.67085 0.06375  -0.00821 -0.11979 746 ARG A N   
851  C CA  . ARG A 151 ? 0.57848 0.61033 0.70362 0.08463  -0.02427 -0.13157 746 ARG A CA  
852  C C   . ARG A 151 ? 0.57609 0.57622 0.68974 0.09174  -0.04184 -0.10918 746 ARG A C   
853  O O   . ARG A 151 ? 0.58135 0.56701 0.70952 0.11161  -0.05665 -0.11462 746 ARG A O   
854  C CB  . ARG A 151 ? 0.58206 0.59306 0.70135 0.09113  -0.02906 -0.14852 746 ARG A CB  
855  C CG  . ARG A 151 ? 0.59466 0.63303 0.73336 0.09768  -0.01703 -0.17971 746 ARG A CG  
856  C CD  . ARG A 151 ? 0.63315 0.64428 0.76837 0.10909  -0.02933 -0.19791 746 ARG A CD  
857  N NE  . ARG A 151 ? 0.66354 0.65212 0.76689 0.09578  -0.03180 -0.18688 746 ARG A NE  
858  C CZ  . ARG A 151 ? 0.69636 0.69433 0.78250 0.09113  -0.02327 -0.20170 746 ARG A CZ  
859  N NH1 . ARG A 151 ? 0.68989 0.71818 0.78292 0.09890  -0.00793 -0.22689 746 ARG A NH1 
860  N NH2 . ARG A 151 ? 0.71118 0.68752 0.77318 0.07997  -0.03033 -0.19242 746 ARG A NH2 
861  N N   . ALA A 152 ? 0.57610 0.56338 0.66180 0.07797  -0.04075 -0.08536 747 ALA A N   
862  C CA  . ALA A 152 ? 0.60207 0.56114 0.67177 0.08385  -0.05192 -0.06185 747 ALA A CA  
863  C C   . ALA A 152 ? 0.57038 0.54751 0.64120 0.08404  -0.05370 -0.04953 747 ALA A C   
864  O O   . ALA A 152 ? 0.57614 0.53216 0.63073 0.09279  -0.06301 -0.03143 747 ALA A O   
865  C CB  . ALA A 152 ? 0.57565 0.51409 0.62261 0.06914  -0.04880 -0.04460 747 ALA A CB  
866  N N   . GLY A 153 ? 0.51880 0.53237 0.60789 0.07554  -0.04449 -0.05891 748 GLY A N   
867  C CA  . GLY A 153 ? 0.52279 0.55258 0.61621 0.07290  -0.04736 -0.04753 748 GLY A CA  
868  C C   . GLY A 153 ? 0.53484 0.56180 0.59829 0.05712  -0.04449 -0.02529 748 GLY A C   
869  O O   . GLY A 153 ? 0.51485 0.54486 0.57508 0.05929  -0.05251 -0.01264 748 GLY A O   
870  N N   . LYS A 154 ? 0.54599 0.56684 0.58952 0.04314  -0.03615 -0.02264 749 LYS A N   
871  C CA  . LYS A 154 ? 0.53647 0.55374 0.55575 0.03001  -0.03645 -0.00473 749 LYS A CA  
872  C C   . LYS A 154 ? 0.56868 0.60484 0.57592 0.01222  -0.02670 -0.00739 749 LYS A C   
873  O O   . LYS A 154 ? 0.54750 0.57922 0.53410 0.00170  -0.02916 0.00257  749 LYS A O   
874  C CB  . LYS A 154 ? 0.55933 0.55043 0.56758 0.02893  -0.03846 0.00160  749 LYS A CB  
875  C CG  . LYS A 154 ? 0.55524 0.52042 0.56218 0.04585  -0.04592 0.01315  749 LYS A CG  
876  C CD  . LYS A 154 ? 0.59721 0.53390 0.59794 0.04249  -0.04346 0.02259  749 LYS A CD  
877  C CE  . LYS A 154 ? 0.59288 0.49706 0.58562 0.06261  -0.04809 0.03293  749 LYS A CE  
878  N NZ  . LYS A 154 ? 0.66237 0.53300 0.65240 0.05921  -0.04255 0.04323  749 LYS A NZ  
879  N N   . PHE A 155 ? 0.48554 0.54146 0.50426 0.00952  -0.01525 -0.02042 750 PHE A N   
880  C CA  . PHE A 155 ? 0.50234 0.57072 0.50108 -0.00574 -0.00306 -0.02014 750 PHE A CA  
881  C C   . PHE A 155 ? 0.51610 0.60113 0.52623 -0.01108 -0.00022 -0.01109 750 PHE A C   
882  O O   . PHE A 155 ? 0.51100 0.61106 0.55676 -0.00464 0.00295  -0.01872 750 PHE A O   
883  C CB  . PHE A 155 ? 0.50004 0.57707 0.49762 -0.00640 0.01376  -0.03988 750 PHE A CB  
884  C CG  . PHE A 155 ? 0.54135 0.62321 0.50516 -0.01938 0.02796  -0.03813 750 PHE A CG  
885  C CD1 . PHE A 155 ? 0.56508 0.62904 0.48926 -0.02542 0.01959  -0.03310 750 PHE A CD1 
886  C CD2 . PHE A 155 ? 0.55272 0.65475 0.52414 -0.02483 0.04972  -0.04156 750 PHE A CD2 
887  C CE1 . PHE A 155 ? 0.55944 0.62033 0.44251 -0.03381 0.02973  -0.03156 750 PHE A CE1 
888  C CE2 . PHE A 155 ? 0.59015 0.68954 0.52047 -0.03572 0.06521  -0.03681 750 PHE A CE2 
889  C CZ  . PHE A 155 ? 0.60301 0.67909 0.48421 -0.03876 0.05357  -0.03176 750 PHE A CZ  
890  N N   . LYS A 156 ? 0.52922 0.61063 0.51281 -0.02246 -0.00334 0.00338  751 LYS A N   
891  C CA  . LYS A 156 ? 0.55504 0.64806 0.54586 -0.03078 0.00029  0.01245  751 LYS A CA  
892  C C   . LYS A 156 ? 0.57317 0.66328 0.52716 -0.04558 0.01606  0.01506  751 LYS A C   
893  O O   . LYS A 156 ? 0.56344 0.63690 0.47763 -0.04931 0.00831  0.01976  751 LYS A O   
894  C CB  . LYS A 156 ? 0.52980 0.61580 0.51781 -0.02817 -0.02084 0.02833  751 LYS A CB  
895  C CG  . LYS A 156 ? 0.48692 0.56933 0.49810 -0.00979 -0.03684 0.02786  751 LYS A CG  
896  C CD  . LYS A 156 ? 0.49712 0.59355 0.55256 0.00000  -0.03532 0.01563  751 LYS A CD  
897  C CE  . LYS A 156 ? 0.42865 0.53394 0.50703 0.00019  -0.04642 0.02138  751 LYS A CE  
898  N NZ  . LYS A 156 ? 0.43458 0.55676 0.56653 0.00856  -0.04634 0.00576  751 LYS A NZ  
899  N N   . ALA A 157 ? 0.56608 0.67088 0.53296 -0.05287 0.03833  0.01139  752 ALA A N   
900  C CA  . ALA A 157 ? 0.60712 0.70430 0.53037 -0.06510 0.05761  0.01577  752 ALA A CA  
901  C C   . ALA A 157 ? 0.61251 0.69837 0.51622 -0.07687 0.05109  0.03634  752 ALA A C   
902  O O   . ALA A 157 ? 0.59169 0.68734 0.53308 -0.07947 0.04490  0.04382  752 ALA A O   
903  C CB  . ALA A 157 ? 0.60552 0.72298 0.54899 -0.06848 0.09033  0.00453  752 ALA A CB  
904  N N   . THR A 158 ? 0.70199 0.76417 0.54645 -0.08182 0.04818  0.04370  753 THR A N   
905  C CA  . THR A 158 ? 0.70882 0.75358 0.52401 -0.09265 0.04297  0.06265  753 THR A CA  
906  C C   . THR A 158 ? 0.77060 0.80130 0.53786 -0.10200 0.07168  0.06736  753 THR A C   
907  O O   . THR A 158 ? 0.80409 0.83157 0.54212 -0.09626 0.08593  0.05461  753 THR A O   
908  C CB  . THR A 158 ? 0.70170 0.72541 0.48297 -0.08795 0.01138  0.06756  753 THR A CB  
909  O OG1 . THR A 158 ? 0.71509 0.72765 0.46272 -0.08069 0.00786  0.05425  753 THR A OG1 
910  C CG2 . THR A 158 ? 0.65539 0.69180 0.48045 -0.07952 -0.01221 0.06801  753 THR A CG2 
911  N N   . GLN A 159 ? 0.92781 0.82752 1.08991 0.03136  0.02791  -0.12684 754 GLN A N   
912  C CA  . GLN A 159 ? 0.90732 0.86084 1.04829 0.03208  0.02406  -0.16524 754 GLN A CA  
913  C C   . GLN A 159 ? 0.91464 0.85826 1.05102 0.02437  0.03262  -0.15897 754 GLN A C   
914  O O   . GLN A 159 ? 0.91821 0.82733 1.02371 0.00906  0.05683  -0.12455 754 GLN A O   
915  C CB  . GLN A 159 ? 0.90798 0.90148 0.98594 0.01464  0.04311  -0.16651 754 GLN A CB  
916  C CG  . GLN A 159 ? 0.91526 0.94630 1.00064 0.02655  0.02986  -0.18651 754 GLN A CG  
917  C CD  . GLN A 159 ? 0.93423 0.91067 1.03084 0.02999  0.02983  -0.16172 754 GLN A CD  
918  O OE1 . GLN A 159 ? 0.96178 0.88463 1.04131 0.01983  0.04784  -0.12377 754 GLN A OE1 
919  N NE2 . GLN A 159 ? 0.92741 0.92225 1.04965 0.04921  0.00875  -0.18300 754 GLN A NE2 
920  N N   . ARG A 160 ? 0.94850 0.92220 1.11242 0.04110  0.00957  -0.19506 755 ARG A N   
921  C CA  . ARG A 160 ? 0.97749 0.95985 1.12251 0.03425  0.01875  -0.19797 755 ARG A CA  
922  C C   . ARG A 160 ? 1.01745 1.03420 1.08970 0.01015  0.04676  -0.18925 755 ARG A C   
923  O O   . ARG A 160 ? 1.01273 1.08809 1.06409 0.00899  0.04631  -0.20442 755 ARG A O   
924  C CB  . ARG A 160 ? 0.92654 0.94465 1.10478 0.06390  -0.01486 -0.24519 755 ARG A CB  
925  N N   . THR A 161 ? 1.07091 1.05157 1.10576 -0.00958 0.06707  -0.16131 756 THR A N   
926  C CA  . THR A 161 ? 1.10584 1.09885 1.07111 -0.03700 0.08350  -0.14651 756 THR A CA  
927  C C   . THR A 161 ? 1.13194 1.15209 1.07640 -0.04381 0.08462  -0.15521 756 THR A C   
928  O O   . THR A 161 ? 1.08158 1.11628 1.06341 -0.02314 0.07343  -0.17822 756 THR A O   
929  C CB  . THR A 161 ? 1.11090 1.03241 1.03299 -0.04958 0.09847  -0.10947 756 THR A CB  
930  O OG1 . THR A 161 ? 1.12333 1.01223 1.01111 -0.05661 0.10594  -0.09691 756 THR A OG1 
931  C CG2 . THR A 161 ? 1.09259 0.97518 1.05878 -0.02949 0.09949  -0.09467 756 THR A CG2 
932  N N   . GLU A 162 ? 1.59828 1.62148 1.48186 -0.07353 0.09299  -0.13539 757 GLU A N   
933  C CA  . GLU A 162 ? 1.59625 1.62364 1.45050 -0.08441 0.09499  -0.13235 757 GLU A CA  
934  C C   . GLU A 162 ? 1.59129 1.54297 1.44919 -0.07245 0.10012  -0.12301 757 GLU A C   
935  O O   . GLU A 162 ? 1.58202 1.46884 1.41189 -0.07534 0.10708  -0.09867 757 GLU A O   
936  C CB  . GLU A 162 ? 1.56229 1.59101 1.35072 -0.12416 0.09461  -0.10404 757 GLU A CB  
937  N N   . GLY A 163 ? 1.22859 1.19469 1.12199 -0.05406 0.09464  -0.14286 758 GLY A N   
938  C CA  . GLY A 163 ? 1.15522 1.06559 1.05717 -0.04447 0.09863  -0.13154 758 GLY A CA  
939  C C   . GLY A 163 ? 1.17281 1.08872 1.04231 -0.05036 0.09808  -0.13673 758 GLY A C   
940  O O   . GLY A 163 ? 1.14335 1.11709 1.02489 -0.04408 0.08904  -0.16203 758 GLY A O   
941  N N   . VAL A 164 ? 1.19124 1.04988 1.01375 -0.05760 0.10589  -0.11396 759 VAL A N   
942  C CA  . VAL A 164 ? 1.21105 1.06347 1.00742 -0.05898 0.10346  -0.11818 759 VAL A CA  
943  C C   . VAL A 164 ? 1.18081 1.03531 1.04526 -0.03247 0.09859  -0.13298 759 VAL A C   
944  O O   . VAL A 164 ? 1.18198 0.99584 1.04921 -0.02250 0.10398  -0.11713 759 VAL A O   
945  C CB  . VAL A 164 ? 1.20038 0.98382 0.92086 -0.06928 0.10624  -0.09258 759 VAL A CB  
946  N N   . SER A 165 ? 0.99086 0.89426 0.91170 -0.01813 0.08376  -0.16284 760 SER A N   
947  C CA  . SER A 165 ? 0.95550 0.85314 0.94555 0.00455  0.06694  -0.17742 760 SER A CA  
948  C C   . SER A 165 ? 0.96836 0.85481 0.93452 0.00733  0.06662  -0.18122 760 SER A C   
949  O O   . SER A 165 ? 0.98218 0.88148 0.88414 -0.00469 0.07358  -0.18304 760 SER A O   
950  C CB  . SER A 165 ? 0.92476 0.86789 0.96635 0.02613  0.03965  -0.21680 760 SER A CB  
951  O OG  . SER A 165 ? 0.94043 0.93279 0.95083 0.03607  0.03287  -0.24609 760 SER A OG  
952  N N   . THR A 166 ? 1.05876 0.92259 1.08018 0.02090  0.05612  -0.17755 761 THR A N   
953  C CA  . THR A 166 ? 1.05435 0.91036 1.06297 0.02789  0.05144  -0.18590 761 THR A CA  
954  C C   . THR A 166 ? 1.03585 0.93554 1.01676 0.03572  0.03902  -0.22312 761 THR A C   
955  O O   . THR A 166 ? 1.06542 0.96523 0.99105 0.03070  0.04584  -0.22346 761 THR A O   
956  C CB  . THR A 166 ? 1.05392 0.89613 1.14866 0.04211  0.03121  -0.18156 761 THR A CB  
957  O OG1 . THR A 166 ? 1.03047 0.88322 1.20081 0.05017  0.00362  -0.19416 761 THR A OG1 
958  C CG2 . THR A 166 ? 1.09889 0.91509 1.19876 0.03724  0.05255  -0.13488 761 THR A CG2 
959  N N   . THR A 167 ? 0.95416 0.89629 0.96773 0.05152  0.01988  -0.25347 762 THR A N   
960  C CA  . THR A 167 ? 0.93561 0.93976 0.91971 0.06875  0.00950  -0.28826 762 THR A CA  
961  C C   . THR A 167 ? 0.95236 0.98974 0.85437 0.04119  0.03645  -0.26651 762 THR A C   
962  O O   . THR A 167 ? 0.95274 1.01129 0.80921 0.03862  0.03982  -0.26706 762 THR A O   
963  C CB  . THR A 167 ? 0.91123 0.95953 0.93737 0.09859  -0.01719 -0.32524 762 THR A CB  
964  O OG1 . THR A 167 ? 0.91346 0.91852 1.01903 0.12046  -0.05457 -0.34257 762 THR A OG1 
965  C CG2 . THR A 167 ? 0.87847 1.01009 0.86855 0.12762  -0.02653 -0.36157 762 THR A CG2 
966  N N   . ASP A 168 ? 0.96211 1.00322 0.84646 0.01812  0.05159  -0.24385 763 ASP A N   
967  C CA  . ASP A 168 ? 0.97961 1.04761 0.79373 -0.01509 0.06822  -0.21634 763 ASP A CA  
968  C C   . ASP A 168 ? 0.99771 1.00796 0.75682 -0.03645 0.07488  -0.19048 763 ASP A C   
969  O O   . ASP A 168 ? 0.99096 1.02894 0.69521 -0.05805 0.07659  -0.17428 763 ASP A O   
970  C CB  . ASP A 168 ? 0.99800 1.05406 0.80604 -0.03777 0.07798  -0.19327 763 ASP A CB  
971  C CG  . ASP A 168 ? 0.97363 1.07985 0.83453 -0.01454 0.06909  -0.21939 763 ASP A CG  
972  O OD1 . ASP A 168 ? 0.92186 1.10742 0.79571 0.01189  0.05764  -0.25049 763 ASP A OD1 
973  O OD2 . ASP A 168 ? 0.97481 1.04228 0.86016 -0.01810 0.07149  -0.20966 763 ASP A OD2 
974  N N   . LEU A 169 ? 0.99042 0.92510 0.76431 -0.02927 0.07620  -0.18352 764 LEU A N   
975  C CA  . LEU A 169 ? 1.01146 0.88456 0.72781 -0.04197 0.07969  -0.16155 764 LEU A CA  
976  C C   . LEU A 169 ? 1.01306 0.90233 0.72013 -0.02961 0.07137  -0.17859 764 LEU A C   
977  O O   . LEU A 169 ? 1.03134 0.90863 0.67369 -0.04822 0.06962  -0.16305 764 LEU A O   
978  C CB  . LEU A 169 ? 1.00398 0.81119 0.73890 -0.02955 0.08587  -0.14754 764 LEU A CB  
979  N N   . ILE A 170 ? 1.00844 0.91988 0.77945 0.00159  0.06070  -0.20962 765 ILE A N   
980  C CA  . ILE A 170 ? 0.99697 0.92557 0.76092 0.01890  0.04939  -0.23076 765 ILE A CA  
981  C C   . ILE A 170 ? 0.98651 0.99067 0.70539 0.01252  0.04944  -0.23537 765 ILE A C   
982  O O   . ILE A 170 ? 1.00204 1.01281 0.67397 0.00830  0.04784  -0.23045 765 ILE A O   
983  C CB  . ILE A 170 ? 0.96020 0.89554 0.80651 0.05463  0.02773  -0.26524 765 ILE A CB  
984  C CG1 . ILE A 170 ? 0.95538 0.91842 0.79173 0.07888  0.01101  -0.29494 765 ILE A CG1 
985  C CG2 . ILE A 170 ? 0.95330 0.92949 0.85068 0.06853  0.01595  -0.28602 765 ILE A CG2 
986  C CD1 . ILE A 170 ? 0.98876 0.91020 0.76996 0.06681  0.01965  -0.27618 765 ILE A CD1 
987  N N   . VAL A 171 ? 0.96349 1.03391 0.69621 0.01273  0.05138  -0.24117 766 VAL A N   
988  C CA  . VAL A 171 ? 0.95267 1.11788 0.64446 0.00488  0.05539  -0.23437 766 VAL A CA  
989  C C   . VAL A 171 ? 1.00528 1.14430 0.62589 -0.04408 0.06394  -0.18511 766 VAL A C   
990  O O   . VAL A 171 ? 1.02496 1.20844 0.60295 -0.05347 0.06245  -0.17103 766 VAL A O   
991  C CB  . VAL A 171 ? 0.93307 1.17364 0.65099 0.01097  0.05781  -0.24198 766 VAL A CB  
992  C CG1 . VAL A 171 ? 0.90657 1.23984 0.57648 -0.01893 0.06893  -0.20753 766 VAL A CG1 
993  C CG2 . VAL A 171 ? 0.86533 1.15815 0.63411 0.06863  0.03795  -0.29659 766 VAL A CG2 
994  N N   . ARG A 172 ? 0.96124 1.02423 0.56627 -0.07411 0.06791  -0.15731 767 ARG A N   
995  C CA  . ARG A 172 ? 0.99702 1.01330 0.53203 -0.11924 0.06318  -0.11255 767 ARG A CA  
996  C C   . ARG A 172 ? 1.01649 0.97682 0.51060 -0.11607 0.05429  -0.11036 767 ARG A C   
997  O O   . ARG A 172 ? 1.03697 1.00212 0.47535 -0.14635 0.04417  -0.07965 767 ARG A O   
998  C CB  . ARG A 172 ? 0.99838 0.93008 0.52262 -0.13669 0.06242  -0.09428 767 ARG A CB  
999  C CG  . ARG A 172 ? 1.02356 0.90682 0.47772 -0.18370 0.04591  -0.04990 767 ARG A CG  
1000 C CD  . ARG A 172 ? 1.03624 0.82829 0.47311 -0.18763 0.04028  -0.04038 767 ARG A CD  
1001 N NE  . ARG A 172 ? 0.99512 0.83108 0.47771 -0.18609 0.05194  -0.04590 767 ARG A NE  
1002 C CZ  . ARG A 172 ? 1.02101 0.79480 0.49298 -0.18711 0.04879  -0.03799 767 ARG A CZ  
1003 N NH1 . ARG A 172 ? 1.03203 0.69990 0.44677 -0.18419 0.03329  -0.02672 767 ARG A NH1 
1004 N NH2 . ARG A 172 ? 0.98515 0.80464 0.50042 -0.18516 0.05916  -0.04379 767 ARG A NH2 
1005 N N   . ILE A 173 ? 1.01725 0.92844 0.54160 -0.08106 0.05526  -0.13922 768 ILE A N   
1006 C CA  . ILE A 173 ? 1.02367 0.88301 0.51190 -0.07331 0.04659  -0.14026 768 ILE A CA  
1007 C C   . ILE A 173 ? 1.06336 0.99944 0.54155 -0.06546 0.04274  -0.15024 768 ILE A C   
1008 O O   . ILE A 173 ? 1.11070 1.03354 0.52863 -0.08650 0.03355  -0.12629 768 ILE A O   
1009 C CB  . ILE A 173 ? 1.02376 0.83313 0.55936 -0.03707 0.04869  -0.16530 768 ILE A CB  
1010 C CG1 . ILE A 173 ? 1.02960 0.77202 0.56326 -0.04102 0.05457  -0.14777 768 ILE A CG1 
1011 C CG2 . ILE A 173 ? 1.04844 0.82045 0.55367 -0.02331 0.03937  -0.17171 768 ILE A CG2 
1012 C CD1 . ILE A 173 ? 0.98644 0.70575 0.57999 -0.00808 0.05982  -0.16076 768 ILE A CD1 
1013 N N   . LEU A 174 ? 1.09410 1.11033 0.62802 -0.03123 0.04547  -0.18610 769 LEU A N   
1014 C CA  . LEU A 174 ? 1.08755 1.18070 0.61122 -0.00812 0.04003  -0.20391 769 LEU A CA  
1015 C C   . LEU A 174 ? 1.09797 1.27653 0.57116 -0.04016 0.04481  -0.16499 769 LEU A C   
1016 O O   . LEU A 174 ? 1.12638 1.34390 0.56097 -0.03875 0.04071  -0.15555 769 LEU A O   
1017 C CB  . LEU A 174 ? 1.00467 1.15809 0.59438 0.04360  0.03263  -0.25573 769 LEU A CB  
1018 C CG  . LEU A 174 ? 1.00003 1.07619 0.65024 0.07071  0.01987  -0.28674 769 LEU A CG  
1019 C CD1 . LEU A 174 ? 0.94099 1.06463 0.64976 0.12279  -0.00302 -0.33936 769 LEU A CD1 
1020 C CD2 . LEU A 174 ? 1.02504 1.02980 0.64855 0.06845  0.01565  -0.28013 769 LEU A CD2 
1021 N N   . LYS A 175 ? 1.09934 1.31216 0.57410 -0.07135 0.05215  -0.13692 770 LYS A N   
1022 C CA  . LYS A 175 ? 1.09528 1.40305 0.53277 -0.10853 0.05464  -0.08919 770 LYS A CA  
1023 C C   . LYS A 175 ? 1.17786 1.43210 0.54859 -0.15196 0.04097  -0.04181 770 LYS A C   
1024 O O   . LYS A 175 ? 1.17499 1.52102 0.51628 -0.17242 0.03962  -0.00456 770 LYS A O   
1025 C CB  . LYS A 175 ? 1.07681 1.40447 0.52839 -0.14268 0.05947  -0.06180 770 LYS A CB  
1026 N N   . ASN A 176 ? 1.31913 1.42928 0.66343 -0.16376 0.02806  -0.04037 771 ASN A N   
1027 C CA  . ASN A 176 ? 1.36535 1.40483 0.64081 -0.19728 0.00632  -0.00278 771 ASN A CA  
1028 C C   . ASN A 176 ? 1.37247 1.44346 0.63254 -0.16716 0.00599  -0.02085 771 ASN A C   
1029 O O   . ASN A 176 ? 1.41323 1.41836 0.61580 -0.18890 -0.01398 0.00523  771 ASN A O   
1030 C CB  . ASN A 176 ? 1.40134 1.28321 0.64788 -0.20202 -0.00993 -0.00583 771 ASN A CB  
1031 N N   . TYR A 177 ? 1.32559 1.48765 0.63153 -0.11580 0.02176  -0.06593 772 TYR A N   
1032 C CA  . TYR A 177 ? 1.30963 1.50954 0.60215 -0.07971 0.01913  -0.08861 772 TYR A CA  
1033 C C   . TYR A 177 ? 1.27106 1.63748 0.58104 -0.04845 0.03103  -0.09874 772 TYR A C   
1034 O O   . TYR A 177 ? 1.22225 1.63478 0.57926 0.00879  0.03426  -0.15497 772 TYR A O   
1035 C CB  . TYR A 177 ? 1.30644 1.42680 0.63503 -0.03081 0.01525  -0.14702 772 TYR A CB  
1036 C CG  . TYR A 177 ? 1.34255 1.32035 0.65675 -0.04821 0.00706  -0.13997 772 TYR A CG  
1037 C CD1 . TYR A 177 ? 1.33188 1.26156 0.67810 -0.05641 0.01321  -0.14096 772 TYR A CD1 
1038 C CD2 . TYR A 177 ? 1.38303 1.28039 0.64818 -0.04979 -0.00765 -0.13364 772 TYR A CD2 
1039 C CE1 . TYR A 177 ? 1.38044 1.19463 0.70826 -0.06184 0.00642  -0.13511 772 TYR A CE1 
1040 C CE2 . TYR A 177 ? 1.40706 1.18483 0.65329 -0.05457 -0.01650 -0.13036 772 TYR A CE2 
1041 C CZ  . TYR A 177 ? 1.41750 1.15851 0.69434 -0.05845 -0.00865 -0.13093 772 TYR A CZ  
1042 O OH  . TYR A 177 ? 1.45168 1.08756 0.70456 -0.05364 -0.01669 -0.12780 772 TYR A OH  
# 
