data_8OWV
# 
_entry.id   8OWV 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.391 
_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   8OWV         pdb_00008owv 10.2210/pdb8owv/pdb 
WWPDB D_1292129659 ?            ?                   
# 
_pdbx_audit_revision_history.ordinal             1 
_pdbx_audit_revision_history.data_content_type   'Structure model' 
_pdbx_audit_revision_history.major_revision      1 
_pdbx_audit_revision_history.minor_revision      0 
_pdbx_audit_revision_history.revision_date       2024-05-08 
# 
_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                        8OWV 
_pdbx_database_status.recvd_initial_deposition_date   2023-04-28 
_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_contact_author.id                 2 
_pdbx_contact_author.email              ray.owens@rfi.ac.uk 
_pdbx_contact_author.name_first         Raymond 
_pdbx_contact_author.name_last          Owens 
_pdbx_contact_author.name_mi            J 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0002-3705-2993 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Mikolajek, H.'  1 0000-0003-0776-9974 
'Naismith, J.H.' 2 0000-0001-6744-5061 
'Owens, R.J.'    3 0000-0002-3705-2993 
# 
_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                     'Trimeric nanobodies potently neutralize Omicron variants of SARS-CoV-2' 
_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 'Cornish, K.A.S.' 1 ? 
primary 'Mikolajek, H.'   2 ? 
primary 'Naismith, J.H.'  3 ? 
primary 'Owens, R.J.'     4 ? 
# 
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 'Spike glycoprotein'                     23638.551 1   ? ? ? ? 
2 polymer     man F2                                       14962.622 1   ? ? ? ? 
3 polymer     man H6                                       14588.144 1   ? ? ? ? 
4 non-polymer syn 2-acetamido-2-deoxy-beta-D-glucopyranose 221.208   1   ? ? ? ? 
5 non-polymer syn GLYCEROL                                 92.094    3   ? ? ? ? 
6 water       nat water                                    18.015    216 ? ? ? ? 
# 
loop_
_entity_poly.entity_id 
_entity_poly.type 
_entity_poly.nstd_linkage 
_entity_poly.nstd_monomer 
_entity_poly.pdbx_seq_one_letter_code 
_entity_poly.pdbx_seq_one_letter_code_can 
_entity_poly.pdbx_strand_id 
_entity_poly.pdbx_target_identifier 
1 'polypeptide(L)' no no 
;NITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQI
APGQTGVIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYLYRLFRKSNLKPFERDISTEIYQAGSTPCNGVKGFNCYF
PLQSYGFQPTYGVGYQPYRVVVLSFELLHAPATVCGPKKSTNKHHHHHH
;
;NITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQI
APGQTGVIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYLYRLFRKSNLKPFERDISTEIYQAGSTPCNGVKGFNCYF
PLQSYGFQPTYGVGYQPYRVVVLSFELLHAPATVCGPKKSTNKHHHHHH
;
EEE ? 
2 'polypeptide(L)' no no 
;QVQLVESGGGLVQAGGSLRLACIASGRTFHSYVMAWFRQAPGKEREFVAAISWSSTPTYYGESVKGRFTISRDNAKNTVY
LQMNRLKPEDTAVYFCAADRGESYYYTRPTEYEFWGQGTQVTVSSKHHHHHH
;
;QVQLVESGGGLVQAGGSLRLACIASGRTFHSYVMAWFRQAPGKEREFVAAISWSSTPTYYGESVKGRFTISRDNAKNTVY
LQMNRLKPEDTAVYFCAADRGESYYYTRPTEYEFWGQGTQVTVSSKHHHHHH
;
BBB ? 
3 'polypeptide(L)' no no 
;QVQLVESGGGLVQPGGSLTLSCVASESSLAPYRVAWFRQAPGKEREGVSCISRDAHPTSTYYTASVKGRFTMSRDNAKNT
VYLQMNSLKPSDTAVYYCATDLGGYCSDSNYPRAWWGQGTQVTVSSKHHHHHH
;
;QVQLVESGGGLVQPGGSLTLSCVASESSLAPYRVAWFRQAPGKEREGVSCISRDAHPTSTYYTASVKGRFTMSRDNAKNT
VYLQMNSLKPSDTAVYYCATDLGGYCSDSNYPRAWWGQGTQVTVSSKHHHHHH
;
FFF ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
4 2-acetamido-2-deoxy-beta-D-glucopyranose NAG 
5 GLYCEROL                                 GOL 
6 water                                    HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   ASN n 
1 2   ILE n 
1 3   THR n 
1 4   ASN n 
1 5   LEU n 
1 6   CYS n 
1 7   PRO n 
1 8   PHE n 
1 9   GLY n 
1 10  GLU n 
1 11  VAL n 
1 12  PHE n 
1 13  ASN n 
1 14  ALA n 
1 15  THR n 
1 16  ARG n 
1 17  PHE n 
1 18  ALA n 
1 19  SER n 
1 20  VAL n 
1 21  TYR n 
1 22  ALA n 
1 23  TRP n 
1 24  ASN n 
1 25  ARG n 
1 26  LYS n 
1 27  ARG n 
1 28  ILE n 
1 29  SER n 
1 30  ASN n 
1 31  CYS n 
1 32  VAL n 
1 33  ALA n 
1 34  ASP n 
1 35  TYR n 
1 36  SER n 
1 37  VAL n 
1 38  LEU n 
1 39  TYR n 
1 40  ASN n 
1 41  SER n 
1 42  ALA n 
1 43  SER n 
1 44  PHE n 
1 45  SER n 
1 46  THR n 
1 47  PHE n 
1 48  LYS n 
1 49  CYS n 
1 50  TYR n 
1 51  GLY n 
1 52  VAL n 
1 53  SER n 
1 54  PRO n 
1 55  THR n 
1 56  LYS n 
1 57  LEU n 
1 58  ASN n 
1 59  ASP n 
1 60  LEU n 
1 61  CYS n 
1 62  PHE n 
1 63  THR n 
1 64  ASN n 
1 65  VAL n 
1 66  TYR n 
1 67  ALA n 
1 68  ASP n 
1 69  SER n 
1 70  PHE n 
1 71  VAL n 
1 72  ILE n 
1 73  ARG n 
1 74  GLY n 
1 75  ASP n 
1 76  GLU n 
1 77  VAL n 
1 78  ARG n 
1 79  GLN n 
1 80  ILE n 
1 81  ALA n 
1 82  PRO n 
1 83  GLY n 
1 84  GLN n 
1 85  THR n 
1 86  GLY n 
1 87  VAL n 
1 88  ILE n 
1 89  ALA n 
1 90  ASP n 
1 91  TYR n 
1 92  ASN n 
1 93  TYR n 
1 94  LYS n 
1 95  LEU n 
1 96  PRO n 
1 97  ASP n 
1 98  ASP n 
1 99  PHE n 
1 100 THR n 
1 101 GLY n 
1 102 CYS n 
1 103 VAL n 
1 104 ILE n 
1 105 ALA n 
1 106 TRP n 
1 107 ASN n 
1 108 SER n 
1 109 ASN n 
1 110 ASN n 
1 111 LEU n 
1 112 ASP n 
1 113 SER n 
1 114 LYS n 
1 115 VAL n 
1 116 GLY n 
1 117 GLY n 
1 118 ASN n 
1 119 TYR n 
1 120 ASN n 
1 121 TYR n 
1 122 LEU n 
1 123 TYR n 
1 124 ARG n 
1 125 LEU n 
1 126 PHE n 
1 127 ARG n 
1 128 LYS n 
1 129 SER n 
1 130 ASN n 
1 131 LEU n 
1 132 LYS n 
1 133 PRO n 
1 134 PHE n 
1 135 GLU n 
1 136 ARG n 
1 137 ASP n 
1 138 ILE n 
1 139 SER n 
1 140 THR n 
1 141 GLU n 
1 142 ILE n 
1 143 TYR n 
1 144 GLN n 
1 145 ALA n 
1 146 GLY n 
1 147 SER n 
1 148 THR n 
1 149 PRO n 
1 150 CYS n 
1 151 ASN n 
1 152 GLY n 
1 153 VAL n 
1 154 LYS n 
1 155 GLY n 
1 156 PHE n 
1 157 ASN n 
1 158 CYS n 
1 159 TYR n 
1 160 PHE n 
1 161 PRO n 
1 162 LEU n 
1 163 GLN n 
1 164 SER n 
1 165 TYR n 
1 166 GLY n 
1 167 PHE n 
1 168 GLN n 
1 169 PRO n 
1 170 THR n 
1 171 TYR n 
1 172 GLY n 
1 173 VAL n 
1 174 GLY n 
1 175 TYR n 
1 176 GLN n 
1 177 PRO n 
1 178 TYR n 
1 179 ARG n 
1 180 VAL n 
1 181 VAL n 
1 182 VAL n 
1 183 LEU n 
1 184 SER n 
1 185 PHE n 
1 186 GLU n 
1 187 LEU n 
1 188 LEU n 
1 189 HIS n 
1 190 ALA n 
1 191 PRO n 
1 192 ALA n 
1 193 THR n 
1 194 VAL n 
1 195 CYS n 
1 196 GLY n 
1 197 PRO n 
1 198 LYS n 
1 199 LYS n 
1 200 SER n 
1 201 THR n 
1 202 ASN n 
1 203 LYS n 
1 204 HIS n 
1 205 HIS n 
1 206 HIS n 
1 207 HIS n 
1 208 HIS n 
1 209 HIS n 
2 1   GLN n 
2 2   VAL n 
2 3   GLN n 
2 4   LEU n 
2 5   VAL n 
2 6   GLU n 
2 7   SER n 
2 8   GLY n 
2 9   GLY n 
2 10  GLY n 
2 11  LEU n 
2 12  VAL n 
2 13  GLN n 
2 14  ALA n 
2 15  GLY n 
2 16  GLY n 
2 17  SER n 
2 18  LEU n 
2 19  ARG n 
2 20  LEU n 
2 21  ALA n 
2 22  CYS n 
2 23  ILE n 
2 24  ALA n 
2 25  SER n 
2 26  GLY n 
2 27  ARG n 
2 28  THR n 
2 29  PHE n 
2 30  HIS n 
2 31  SER n 
2 32  TYR n 
2 33  VAL n 
2 34  MET n 
2 35  ALA n 
2 36  TRP n 
2 37  PHE n 
2 38  ARG n 
2 39  GLN n 
2 40  ALA n 
2 41  PRO n 
2 42  GLY n 
2 43  LYS n 
2 44  GLU n 
2 45  ARG n 
2 46  GLU n 
2 47  PHE n 
2 48  VAL n 
2 49  ALA n 
2 50  ALA n 
2 51  ILE n 
2 52  SER n 
2 53  TRP n 
2 54  SER n 
2 55  SER n 
2 56  THR n 
2 57  PRO n 
2 58  THR n 
2 59  TYR n 
2 60  TYR n 
2 61  GLY n 
2 62  GLU n 
2 63  SER n 
2 64  VAL n 
2 65  LYS n 
2 66  GLY n 
2 67  ARG n 
2 68  PHE n 
2 69  THR n 
2 70  ILE n 
2 71  SER n 
2 72  ARG n 
2 73  ASP n 
2 74  ASN n 
2 75  ALA n 
2 76  LYS n 
2 77  ASN n 
2 78  THR n 
2 79  VAL n 
2 80  TYR n 
2 81  LEU n 
2 82  GLN n 
2 83  MET n 
2 84  ASN n 
2 85  ARG n 
2 86  LEU n 
2 87  LYS n 
2 88  PRO n 
2 89  GLU n 
2 90  ASP n 
2 91  THR n 
2 92  ALA n 
2 93  VAL n 
2 94  TYR n 
2 95  PHE n 
2 96  CYS n 
2 97  ALA n 
2 98  ALA n 
2 99  ASP n 
2 100 ARG n 
2 101 GLY n 
2 102 GLU n 
2 103 SER n 
2 104 TYR n 
2 105 TYR n 
2 106 TYR n 
2 107 THR n 
2 108 ARG n 
2 109 PRO n 
2 110 THR n 
2 111 GLU n 
2 112 TYR n 
2 113 GLU n 
2 114 PHE n 
2 115 TRP n 
2 116 GLY n 
2 117 GLN n 
2 118 GLY n 
2 119 THR n 
2 120 GLN n 
2 121 VAL n 
2 122 THR n 
2 123 VAL n 
2 124 SER n 
2 125 SER n 
2 126 LYS n 
2 127 HIS n 
2 128 HIS n 
2 129 HIS n 
2 130 HIS n 
2 131 HIS n 
2 132 HIS n 
3 1   GLN n 
3 2   VAL n 
3 3   GLN n 
3 4   LEU n 
3 5   VAL n 
3 6   GLU n 
3 7   SER n 
3 8   GLY n 
3 9   GLY n 
3 10  GLY n 
3 11  LEU n 
3 12  VAL n 
3 13  GLN n 
3 14  PRO n 
3 15  GLY n 
3 16  GLY n 
3 17  SER n 
3 18  LEU n 
3 19  THR n 
3 20  LEU n 
3 21  SER n 
3 22  CYS n 
3 23  VAL n 
3 24  ALA n 
3 25  SER n 
3 26  GLU n 
3 27  SER n 
3 28  SER n 
3 29  LEU n 
3 30  ALA n 
3 31  PRO n 
3 32  TYR n 
3 33  ARG n 
3 34  VAL n 
3 35  ALA n 
3 36  TRP n 
3 37  PHE n 
3 38  ARG n 
3 39  GLN n 
3 40  ALA n 
3 41  PRO n 
3 42  GLY n 
3 43  LYS n 
3 44  GLU n 
3 45  ARG n 
3 46  GLU n 
3 47  GLY n 
3 48  VAL n 
3 49  SER n 
3 50  CYS n 
3 51  ILE n 
3 52  SER n 
3 53  ARG n 
3 54  ASP n 
3 55  ALA n 
3 56  HIS n 
3 57  PRO n 
3 58  THR n 
3 59  SER n 
3 60  THR n 
3 61  TYR n 
3 62  TYR n 
3 63  THR n 
3 64  ALA n 
3 65  SER n 
3 66  VAL n 
3 67  LYS n 
3 68  GLY n 
3 69  ARG n 
3 70  PHE n 
3 71  THR n 
3 72  MET n 
3 73  SER n 
3 74  ARG n 
3 75  ASP n 
3 76  ASN n 
3 77  ALA n 
3 78  LYS n 
3 79  ASN n 
3 80  THR n 
3 81  VAL n 
3 82  TYR n 
3 83  LEU n 
3 84  GLN n 
3 85  MET n 
3 86  ASN n 
3 87  SER n 
3 88  LEU n 
3 89  LYS n 
3 90  PRO n 
3 91  SER n 
3 92  ASP n 
3 93  THR n 
3 94  ALA n 
3 95  VAL n 
3 96  TYR n 
3 97  TYR n 
3 98  CYS n 
3 99  ALA n 
3 100 THR n 
3 101 ASP n 
3 102 LEU n 
3 103 GLY n 
3 104 GLY n 
3 105 TYR n 
3 106 CYS n 
3 107 SER n 
3 108 ASP n 
3 109 SER n 
3 110 ASN n 
3 111 TYR n 
3 112 PRO n 
3 113 ARG n 
3 114 ALA n 
3 115 TRP n 
3 116 TRP n 
3 117 GLY n 
3 118 GLN n 
3 119 GLY n 
3 120 THR n 
3 121 GLN n 
3 122 VAL n 
3 123 THR n 
3 124 VAL n 
3 125 SER n 
3 126 SER n 
3 127 LYS n 
3 128 HIS n 
3 129 HIS n 
3 130 HIS n 
3 131 HIS n 
3 132 HIS n 
3 133 HIS n 
# 
loop_
_entity_src_gen.entity_id 
_entity_src_gen.pdbx_src_id 
_entity_src_gen.pdbx_alt_source_flag 
_entity_src_gen.pdbx_seq_type 
_entity_src_gen.pdbx_beg_seq_num 
_entity_src_gen.pdbx_end_seq_num 
_entity_src_gen.gene_src_common_name 
_entity_src_gen.gene_src_genus 
_entity_src_gen.pdbx_gene_src_gene 
_entity_src_gen.gene_src_species 
_entity_src_gen.gene_src_strain 
_entity_src_gen.gene_src_tissue 
_entity_src_gen.gene_src_tissue_fraction 
_entity_src_gen.gene_src_details 
_entity_src_gen.pdbx_gene_src_fragment 
_entity_src_gen.pdbx_gene_src_scientific_name 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 
_entity_src_gen.pdbx_gene_src_variant 
_entity_src_gen.pdbx_gene_src_cell_line 
_entity_src_gen.pdbx_gene_src_atcc 
_entity_src_gen.pdbx_gene_src_organ 
_entity_src_gen.pdbx_gene_src_organelle 
_entity_src_gen.pdbx_gene_src_cell 
_entity_src_gen.pdbx_gene_src_cellular_location 
_entity_src_gen.host_org_common_name 
_entity_src_gen.pdbx_host_org_scientific_name 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 
_entity_src_gen.host_org_genus 
_entity_src_gen.pdbx_host_org_gene 
_entity_src_gen.pdbx_host_org_organ 
_entity_src_gen.host_org_species 
_entity_src_gen.pdbx_host_org_tissue 
_entity_src_gen.pdbx_host_org_tissue_fraction 
_entity_src_gen.pdbx_host_org_strain 
_entity_src_gen.pdbx_host_org_variant 
_entity_src_gen.pdbx_host_org_cell_line 
_entity_src_gen.pdbx_host_org_atcc 
_entity_src_gen.pdbx_host_org_culture_collection 
_entity_src_gen.pdbx_host_org_cell 
_entity_src_gen.pdbx_host_org_organelle 
_entity_src_gen.pdbx_host_org_cellular_location 
_entity_src_gen.pdbx_host_org_vector_type 
_entity_src_gen.pdbx_host_org_vector 
_entity_src_gen.host_org_details 
_entity_src_gen.expression_system_id 
_entity_src_gen.plasmid_name 
_entity_src_gen.plasmid_details 
_entity_src_gen.pdbx_description 
1 1 sample 'Biological sequence' 1 209 ? ? ? ? ? ? ? ? ? 'Severe acute respiratory syndrome coronavirus 2' 2697049 ? ? ? ? ? ? ? ? 
'Homo sapiens'     9606 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 
2 1 sample 'Biological sequence' 1 132 ? ? ? ? ? ? ? ? ? 'Lama glama'                                      9844    ? ? ? ? ? ? ? ? 
'Escherichia coli' 562  ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 
3 1 sample 'Biological sequence' 1 133 ? ? ? ? ? ? ? ? ? 'Lama glama'                                      9844    ? ? ? ? ? ? ? ? 
'Escherichia coli' 562  ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
ALA 'L-peptide linking'          y ALANINE                                  ? 'C3 H7 N O2'     89.093  
ARG 'L-peptide linking'          y ARGININE                                 ? 'C6 H15 N4 O2 1' 175.209 
ASN 'L-peptide linking'          y ASPARAGINE                               ? 'C4 H8 N2 O3'    132.118 
ASP 'L-peptide linking'          y 'ASPARTIC ACID'                          ? 'C4 H7 N O4'     133.103 
CYS 'L-peptide linking'          y CYSTEINE                                 ? 'C3 H7 N O2 S'   121.158 
GLN 'L-peptide linking'          y GLUTAMINE                                ? 'C5 H10 N2 O3'   146.144 
GLU 'L-peptide linking'          y 'GLUTAMIC ACID'                          ? 'C5 H9 N O4'     147.129 
GLY 'peptide linking'            y GLYCINE                                  ? 'C2 H5 N O2'     75.067  
GOL non-polymer                  . GLYCEROL                                 'GLYCERIN; PROPANE-1,2,3-TRIOL' 'C3 H8 O3'       
92.094  
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 
NAG 'D-saccharide, beta linking' . 2-acetamido-2-deoxy-beta-D-glucopyranose 
;N-acetyl-beta-D-glucosamine; 2-acetamido-2-deoxy-beta-D-glucose; 2-acetamido-2-deoxy-D-glucose; 2-acetamido-2-deoxy-glucose; N-ACETYL-D-GLUCOSAMINE
;
'C8 H15 N O6'    221.208 
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_chem_comp_identifier.comp_id 
_pdbx_chem_comp_identifier.type 
_pdbx_chem_comp_identifier.program 
_pdbx_chem_comp_identifier.program_version 
_pdbx_chem_comp_identifier.identifier 
NAG 'CONDENSED IUPAC CARBOHYDRATE SYMBOL' GMML     1.0 DGlcpNAcb                      
NAG 'COMMON NAME'                         GMML     1.0 N-acetyl-b-D-glucopyranosamine 
NAG 'IUPAC CARBOHYDRATE SYMBOL'           PDB-CARE 1.0 b-D-GlcpNAc                    
NAG 'SNFG CARBOHYDRATE SYMBOL'            GMML     1.0 GlcNAc                         
# 
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   ASN 1   331 331 ASN ASN EEE . n 
A 1 2   ILE 2   332 332 ILE ILE EEE . n 
A 1 3   THR 3   333 333 THR THR EEE . n 
A 1 4   ASN 4   334 334 ASN ASN EEE . n 
A 1 5   LEU 5   335 335 LEU LEU EEE . n 
A 1 6   CYS 6   336 336 CYS CYS EEE . n 
A 1 7   PRO 7   337 337 PRO PRO EEE . n 
A 1 8   PHE 8   338 338 PHE PHE EEE . n 
A 1 9   GLY 9   339 339 GLY GLY EEE . n 
A 1 10  GLU 10  340 340 GLU GLU EEE . n 
A 1 11  VAL 11  341 341 VAL VAL EEE . n 
A 1 12  PHE 12  342 342 PHE PHE EEE . n 
A 1 13  ASN 13  343 343 ASN ASN EEE . n 
A 1 14  ALA 14  344 344 ALA ALA EEE . n 
A 1 15  THR 15  345 345 THR THR EEE . n 
A 1 16  ARG 16  346 346 ARG ARG EEE . n 
A 1 17  PHE 17  347 347 PHE PHE EEE . n 
A 1 18  ALA 18  348 348 ALA ALA EEE . n 
A 1 19  SER 19  349 349 SER SER EEE . n 
A 1 20  VAL 20  350 350 VAL VAL EEE . n 
A 1 21  TYR 21  351 351 TYR TYR EEE . n 
A 1 22  ALA 22  352 352 ALA ALA EEE . n 
A 1 23  TRP 23  353 353 TRP TRP EEE . n 
A 1 24  ASN 24  354 354 ASN ASN EEE . n 
A 1 25  ARG 25  355 355 ARG ARG EEE . n 
A 1 26  LYS 26  356 356 LYS LYS EEE . n 
A 1 27  ARG 27  357 357 ARG ARG EEE . n 
A 1 28  ILE 28  358 358 ILE ILE EEE . n 
A 1 29  SER 29  359 359 SER SER EEE . n 
A 1 30  ASN 30  360 360 ASN ASN EEE . n 
A 1 31  CYS 31  361 361 CYS CYS EEE . n 
A 1 32  VAL 32  362 362 VAL VAL EEE . n 
A 1 33  ALA 33  363 363 ALA ALA EEE . n 
A 1 34  ASP 34  364 364 ASP ASP EEE . n 
A 1 35  TYR 35  365 365 TYR TYR EEE . n 
A 1 36  SER 36  366 366 SER SER EEE . n 
A 1 37  VAL 37  367 367 VAL VAL EEE . n 
A 1 38  LEU 38  368 368 LEU LEU EEE . n 
A 1 39  TYR 39  369 369 TYR TYR EEE . n 
A 1 40  ASN 40  370 370 ASN ASN EEE . n 
A 1 41  SER 41  371 371 SER SER EEE . n 
A 1 42  ALA 42  372 372 ALA ALA EEE . n 
A 1 43  SER 43  373 373 SER SER EEE . n 
A 1 44  PHE 44  374 374 PHE PHE EEE . n 
A 1 45  SER 45  375 375 SER SER EEE . n 
A 1 46  THR 46  376 376 THR THR EEE . n 
A 1 47  PHE 47  377 377 PHE PHE EEE . n 
A 1 48  LYS 48  378 378 LYS LYS EEE . n 
A 1 49  CYS 49  379 379 CYS CYS EEE . n 
A 1 50  TYR 50  380 380 TYR TYR EEE . n 
A 1 51  GLY 51  381 381 GLY GLY EEE . n 
A 1 52  VAL 52  382 382 VAL VAL EEE . n 
A 1 53  SER 53  383 383 SER SER EEE . n 
A 1 54  PRO 54  384 384 PRO PRO EEE . n 
A 1 55  THR 55  385 385 THR THR EEE . n 
A 1 56  LYS 56  386 386 LYS LYS EEE . n 
A 1 57  LEU 57  387 387 LEU LEU EEE . n 
A 1 58  ASN 58  388 388 ASN ASN EEE . n 
A 1 59  ASP 59  389 389 ASP ASP EEE . n 
A 1 60  LEU 60  390 390 LEU LEU EEE . n 
A 1 61  CYS 61  391 391 CYS CYS EEE . n 
A 1 62  PHE 62  392 392 PHE PHE EEE . n 
A 1 63  THR 63  393 393 THR THR EEE . n 
A 1 64  ASN 64  394 394 ASN ASN EEE . n 
A 1 65  VAL 65  395 395 VAL VAL EEE . n 
A 1 66  TYR 66  396 396 TYR TYR EEE . n 
A 1 67  ALA 67  397 397 ALA ALA EEE . n 
A 1 68  ASP 68  398 398 ASP ASP EEE . n 
A 1 69  SER 69  399 399 SER SER EEE . n 
A 1 70  PHE 70  400 400 PHE PHE EEE . n 
A 1 71  VAL 71  401 401 VAL VAL EEE . n 
A 1 72  ILE 72  402 402 ILE ILE EEE . n 
A 1 73  ARG 73  403 403 ARG ARG EEE . n 
A 1 74  GLY 74  404 404 GLY GLY EEE . n 
A 1 75  ASP 75  405 405 ASP ASP EEE . n 
A 1 76  GLU 76  406 406 GLU GLU EEE . n 
A 1 77  VAL 77  407 407 VAL VAL EEE . n 
A 1 78  ARG 78  408 408 ARG ARG EEE . n 
A 1 79  GLN 79  409 409 GLN GLN EEE . n 
A 1 80  ILE 80  410 410 ILE ILE EEE . n 
A 1 81  ALA 81  411 411 ALA ALA EEE . n 
A 1 82  PRO 82  412 412 PRO PRO EEE . n 
A 1 83  GLY 83  413 413 GLY GLY EEE . n 
A 1 84  GLN 84  414 414 GLN GLN EEE . n 
A 1 85  THR 85  415 415 THR THR EEE . n 
A 1 86  GLY 86  416 416 GLY GLY EEE . n 
A 1 87  VAL 87  417 417 VAL VAL EEE . n 
A 1 88  ILE 88  418 418 ILE ILE EEE . n 
A 1 89  ALA 89  419 419 ALA ALA EEE . n 
A 1 90  ASP 90  420 420 ASP ASP EEE . n 
A 1 91  TYR 91  421 421 TYR TYR EEE . n 
A 1 92  ASN 92  422 422 ASN ASN EEE . n 
A 1 93  TYR 93  423 423 TYR TYR EEE . n 
A 1 94  LYS 94  424 424 LYS LYS EEE . n 
A 1 95  LEU 95  425 425 LEU LEU EEE . n 
A 1 96  PRO 96  426 426 PRO PRO EEE . n 
A 1 97  ASP 97  427 427 ASP ASP EEE . n 
A 1 98  ASP 98  428 428 ASP ASP EEE . n 
A 1 99  PHE 99  429 429 PHE PHE EEE . n 
A 1 100 THR 100 430 430 THR THR EEE . n 
A 1 101 GLY 101 431 431 GLY GLY EEE . n 
A 1 102 CYS 102 432 432 CYS CYS EEE . n 
A 1 103 VAL 103 433 433 VAL VAL EEE . n 
A 1 104 ILE 104 434 434 ILE ILE EEE . n 
A 1 105 ALA 105 435 435 ALA ALA EEE . n 
A 1 106 TRP 106 436 436 TRP TRP EEE . n 
A 1 107 ASN 107 437 437 ASN ASN EEE . n 
A 1 108 SER 108 438 438 SER SER EEE . n 
A 1 109 ASN 109 439 439 ASN ASN EEE . n 
A 1 110 ASN 110 440 440 ASN ASN EEE . n 
A 1 111 LEU 111 441 441 LEU LEU EEE . n 
A 1 112 ASP 112 442 442 ASP ASP EEE . n 
A 1 113 SER 113 443 443 SER SER EEE . n 
A 1 114 LYS 114 444 444 LYS LYS EEE . n 
A 1 115 VAL 115 445 445 VAL VAL EEE . n 
A 1 116 GLY 116 446 446 GLY GLY EEE . n 
A 1 117 GLY 117 447 447 GLY GLY EEE . n 
A 1 118 ASN 118 448 448 ASN ASN EEE . n 
A 1 119 TYR 119 449 449 TYR TYR EEE . n 
A 1 120 ASN 120 450 450 ASN ASN EEE . n 
A 1 121 TYR 121 451 451 TYR TYR EEE . n 
A 1 122 LEU 122 452 452 LEU LEU EEE . n 
A 1 123 TYR 123 453 453 TYR TYR EEE . n 
A 1 124 ARG 124 454 454 ARG ARG EEE . n 
A 1 125 LEU 125 455 455 LEU LEU EEE . n 
A 1 126 PHE 126 456 456 PHE PHE EEE . n 
A 1 127 ARG 127 457 457 ARG ARG EEE . n 
A 1 128 LYS 128 458 458 LYS LYS EEE . n 
A 1 129 SER 129 459 459 SER SER EEE . n 
A 1 130 ASN 130 460 460 ASN ASN EEE . n 
A 1 131 LEU 131 461 461 LEU LEU EEE . n 
A 1 132 LYS 132 462 462 LYS LYS EEE . n 
A 1 133 PRO 133 463 463 PRO PRO EEE . n 
A 1 134 PHE 134 464 464 PHE PHE EEE . n 
A 1 135 GLU 135 465 465 GLU GLU EEE . n 
A 1 136 ARG 136 466 466 ARG ARG EEE . n 
A 1 137 ASP 137 467 467 ASP ASP EEE . n 
A 1 138 ILE 138 468 468 ILE ILE EEE . n 
A 1 139 SER 139 469 469 SER SER EEE . n 
A 1 140 THR 140 470 470 THR THR EEE . n 
A 1 141 GLU 141 471 471 GLU GLU EEE . n 
A 1 142 ILE 142 472 472 ILE ILE EEE . n 
A 1 143 TYR 143 473 473 TYR TYR EEE . n 
A 1 144 GLN 144 474 474 GLN GLN EEE . n 
A 1 145 ALA 145 475 475 ALA ALA EEE . n 
A 1 146 GLY 146 476 476 GLY GLY EEE . n 
A 1 147 SER 147 477 477 SER SER EEE . n 
A 1 148 THR 148 478 478 THR THR EEE . n 
A 1 149 PRO 149 479 479 PRO PRO EEE . n 
A 1 150 CYS 150 480 480 CYS CYS EEE . n 
A 1 151 ASN 151 481 481 ASN ASN EEE . n 
A 1 152 GLY 152 482 482 GLY GLY EEE . n 
A 1 153 VAL 153 483 483 VAL VAL EEE . n 
A 1 154 LYS 154 484 484 LYS LYS EEE . n 
A 1 155 GLY 155 485 485 GLY GLY EEE . n 
A 1 156 PHE 156 486 486 PHE PHE EEE . n 
A 1 157 ASN 157 487 487 ASN ASN EEE . n 
A 1 158 CYS 158 488 488 CYS CYS EEE . n 
A 1 159 TYR 159 489 489 TYR TYR EEE . n 
A 1 160 PHE 160 490 490 PHE PHE EEE . n 
A 1 161 PRO 161 491 491 PRO PRO EEE . n 
A 1 162 LEU 162 492 492 LEU LEU EEE . n 
A 1 163 GLN 163 493 493 GLN GLN EEE . n 
A 1 164 SER 164 494 494 SER SER EEE . n 
A 1 165 TYR 165 495 495 TYR TYR EEE . n 
A 1 166 GLY 166 496 496 GLY GLY EEE . n 
A 1 167 PHE 167 497 497 PHE PHE EEE . n 
A 1 168 GLN 168 498 498 GLN GLN EEE . n 
A 1 169 PRO 169 499 499 PRO PRO EEE . n 
A 1 170 THR 170 500 500 THR THR EEE . n 
A 1 171 TYR 171 501 501 TYR TYR EEE . n 
A 1 172 GLY 172 502 502 GLY GLY EEE . n 
A 1 173 VAL 173 503 503 VAL VAL EEE . n 
A 1 174 GLY 174 504 504 GLY GLY EEE . n 
A 1 175 TYR 175 505 505 TYR TYR EEE . n 
A 1 176 GLN 176 506 506 GLN GLN EEE . n 
A 1 177 PRO 177 507 507 PRO PRO EEE . n 
A 1 178 TYR 178 508 508 TYR TYR EEE . n 
A 1 179 ARG 179 509 509 ARG ARG EEE . n 
A 1 180 VAL 180 510 510 VAL VAL EEE . n 
A 1 181 VAL 181 511 511 VAL VAL EEE . n 
A 1 182 VAL 182 512 512 VAL VAL EEE . n 
A 1 183 LEU 183 513 513 LEU LEU EEE . n 
A 1 184 SER 184 514 514 SER SER EEE . n 
A 1 185 PHE 185 515 515 PHE PHE EEE . n 
A 1 186 GLU 186 516 516 GLU GLU EEE . n 
A 1 187 LEU 187 517 517 LEU LEU EEE . n 
A 1 188 LEU 188 518 518 LEU LEU EEE . n 
A 1 189 HIS 189 519 519 HIS HIS EEE . n 
A 1 190 ALA 190 520 520 ALA ALA EEE . n 
A 1 191 PRO 191 521 521 PRO PRO EEE . n 
A 1 192 ALA 192 522 522 ALA ALA EEE . n 
A 1 193 THR 193 523 523 THR THR EEE . n 
A 1 194 VAL 194 524 524 VAL VAL EEE . n 
A 1 195 CYS 195 525 525 CYS CYS EEE . n 
A 1 196 GLY 196 526 526 GLY GLY EEE . n 
A 1 197 PRO 197 527 527 PRO PRO EEE . n 
A 1 198 LYS 198 528 528 LYS LYS EEE . n 
A 1 199 LYS 199 529 ?   ?   ?   EEE . n 
A 1 200 SER 200 530 ?   ?   ?   EEE . n 
A 1 201 THR 201 531 ?   ?   ?   EEE . n 
A 1 202 ASN 202 532 ?   ?   ?   EEE . n 
A 1 203 LYS 203 533 ?   ?   ?   EEE . n 
A 1 204 HIS 204 534 ?   ?   ?   EEE . n 
A 1 205 HIS 205 535 ?   ?   ?   EEE . n 
A 1 206 HIS 206 536 ?   ?   ?   EEE . n 
A 1 207 HIS 207 537 ?   ?   ?   EEE . n 
A 1 208 HIS 208 538 ?   ?   ?   EEE . n 
A 1 209 HIS 209 539 ?   ?   ?   EEE . n 
B 2 1   GLN 1   3   3   GLN GLN BBB . n 
B 2 2   VAL 2   4   4   VAL VAL BBB . n 
B 2 3   GLN 3   5   5   GLN GLN BBB . n 
B 2 4   LEU 4   6   6   LEU LEU BBB . n 
B 2 5   VAL 5   7   7   VAL VAL BBB . n 
B 2 6   GLU 6   8   8   GLU GLU BBB . n 
B 2 7   SER 7   9   9   SER SER BBB . n 
B 2 8   GLY 8   10  10  GLY GLY BBB . n 
B 2 9   GLY 9   11  11  GLY GLY BBB . n 
B 2 10  GLY 10  12  12  GLY GLY BBB . n 
B 2 11  LEU 11  13  13  LEU LEU BBB . n 
B 2 12  VAL 12  14  14  VAL VAL BBB . n 
B 2 13  GLN 13  15  15  GLN GLN BBB . n 
B 2 14  ALA 14  16  16  ALA ALA BBB . n 
B 2 15  GLY 15  17  17  GLY GLY BBB . n 
B 2 16  GLY 16  18  18  GLY GLY BBB . n 
B 2 17  SER 17  19  19  SER SER BBB . n 
B 2 18  LEU 18  20  20  LEU LEU BBB . n 
B 2 19  ARG 19  21  21  ARG ARG BBB . n 
B 2 20  LEU 20  22  22  LEU LEU BBB . n 
B 2 21  ALA 21  23  23  ALA ALA BBB . n 
B 2 22  CYS 22  24  24  CYS CYS BBB . n 
B 2 23  ILE 23  25  25  ILE ILE BBB . n 
B 2 24  ALA 24  26  26  ALA ALA BBB . n 
B 2 25  SER 25  27  27  SER SER BBB . n 
B 2 26  GLY 26  28  28  GLY GLY BBB . n 
B 2 27  ARG 27  29  29  ARG ARG BBB . n 
B 2 28  THR 28  30  30  THR THR BBB . n 
B 2 29  PHE 29  31  31  PHE PHE BBB . n 
B 2 30  HIS 30  32  32  HIS HIS BBB . n 
B 2 31  SER 31  33  33  SER SER BBB . n 
B 2 32  TYR 32  34  34  TYR TYR BBB . n 
B 2 33  VAL 33  35  35  VAL VAL BBB . n 
B 2 34  MET 34  36  36  MET MET BBB . n 
B 2 35  ALA 35  37  37  ALA ALA BBB . n 
B 2 36  TRP 36  38  38  TRP TRP BBB . n 
B 2 37  PHE 37  39  39  PHE PHE BBB . n 
B 2 38  ARG 38  40  40  ARG ARG BBB . n 
B 2 39  GLN 39  41  41  GLN GLN BBB . n 
B 2 40  ALA 40  42  42  ALA ALA BBB . n 
B 2 41  PRO 41  43  43  PRO PRO BBB . n 
B 2 42  GLY 42  44  44  GLY GLY BBB . n 
B 2 43  LYS 43  45  45  LYS LYS BBB . n 
B 2 44  GLU 44  46  46  GLU GLU BBB . n 
B 2 45  ARG 45  47  47  ARG ARG BBB . n 
B 2 46  GLU 46  48  48  GLU GLU BBB . n 
B 2 47  PHE 47  49  49  PHE PHE BBB . n 
B 2 48  VAL 48  50  50  VAL VAL BBB . n 
B 2 49  ALA 49  51  51  ALA ALA BBB . n 
B 2 50  ALA 50  52  52  ALA ALA BBB . n 
B 2 51  ILE 51  53  53  ILE ILE BBB . n 
B 2 52  SER 52  54  54  SER SER BBB . n 
B 2 53  TRP 53  55  55  TRP TRP BBB . n 
B 2 54  SER 54  56  56  SER SER BBB . n 
B 2 55  SER 55  57  57  SER SER BBB . n 
B 2 56  THR 56  58  58  THR THR BBB . n 
B 2 57  PRO 57  59  59  PRO PRO BBB . n 
B 2 58  THR 58  60  60  THR THR BBB . n 
B 2 59  TYR 59  61  61  TYR TYR BBB . n 
B 2 60  TYR 60  62  62  TYR TYR BBB . n 
B 2 61  GLY 61  63  63  GLY GLY BBB . n 
B 2 62  GLU 62  64  64  GLU GLU BBB . n 
B 2 63  SER 63  65  65  SER SER BBB . n 
B 2 64  VAL 64  66  66  VAL VAL BBB . n 
B 2 65  LYS 65  67  67  LYS LYS BBB . n 
B 2 66  GLY 66  68  68  GLY GLY BBB . n 
B 2 67  ARG 67  69  69  ARG ARG BBB . n 
B 2 68  PHE 68  70  70  PHE PHE BBB . n 
B 2 69  THR 69  71  71  THR THR BBB . n 
B 2 70  ILE 70  72  72  ILE ILE BBB . n 
B 2 71  SER 71  73  73  SER SER BBB . n 
B 2 72  ARG 72  74  74  ARG ARG BBB . n 
B 2 73  ASP 73  75  75  ASP ASP BBB . n 
B 2 74  ASN 74  76  76  ASN ASN BBB . n 
B 2 75  ALA 75  77  77  ALA ALA BBB . n 
B 2 76  LYS 76  78  78  LYS LYS BBB . n 
B 2 77  ASN 77  79  79  ASN ASN BBB . n 
B 2 78  THR 78  80  80  THR THR BBB . n 
B 2 79  VAL 79  81  81  VAL VAL BBB . n 
B 2 80  TYR 80  82  82  TYR TYR BBB . n 
B 2 81  LEU 81  83  83  LEU LEU BBB . n 
B 2 82  GLN 82  84  84  GLN GLN BBB . n 
B 2 83  MET 83  85  85  MET MET BBB . n 
B 2 84  ASN 84  86  86  ASN ASN BBB . n 
B 2 85  ARG 85  87  87  ARG ARG BBB . n 
B 2 86  LEU 86  88  88  LEU LEU BBB . n 
B 2 87  LYS 87  89  89  LYS LYS BBB . n 
B 2 88  PRO 88  90  90  PRO PRO BBB . n 
B 2 89  GLU 89  91  91  GLU GLU BBB . n 
B 2 90  ASP 90  92  92  ASP ASP BBB . n 
B 2 91  THR 91  93  93  THR THR BBB . n 
B 2 92  ALA 92  94  94  ALA ALA BBB . n 
B 2 93  VAL 93  95  95  VAL VAL BBB . n 
B 2 94  TYR 94  96  96  TYR TYR BBB . n 
B 2 95  PHE 95  97  97  PHE PHE BBB . n 
B 2 96  CYS 96  98  98  CYS CYS BBB . n 
B 2 97  ALA 97  99  99  ALA ALA BBB . n 
B 2 98  ALA 98  100 100 ALA ALA BBB . n 
B 2 99  ASP 99  101 101 ASP ASP BBB . n 
B 2 100 ARG 100 102 102 ARG ARG BBB . n 
B 2 101 GLY 101 103 103 GLY GLY BBB . n 
B 2 102 GLU 102 104 104 GLU GLU BBB . n 
B 2 103 SER 103 105 105 SER SER BBB . n 
B 2 104 TYR 104 106 106 TYR TYR BBB . n 
B 2 105 TYR 105 107 107 TYR TYR BBB . n 
B 2 106 TYR 106 108 108 TYR TYR BBB . n 
B 2 107 THR 107 109 109 THR THR BBB . n 
B 2 108 ARG 108 110 110 ARG ARG BBB . n 
B 2 109 PRO 109 111 111 PRO PRO BBB . n 
B 2 110 THR 110 112 112 THR THR BBB . n 
B 2 111 GLU 111 113 113 GLU GLU BBB . n 
B 2 112 TYR 112 114 114 TYR TYR BBB . n 
B 2 113 GLU 113 115 115 GLU GLU BBB . n 
B 2 114 PHE 114 116 116 PHE PHE BBB . n 
B 2 115 TRP 115 117 117 TRP TRP BBB . n 
B 2 116 GLY 116 118 118 GLY GLY BBB . n 
B 2 117 GLN 117 119 119 GLN GLN BBB . n 
B 2 118 GLY 118 120 120 GLY GLY BBB . n 
B 2 119 THR 119 121 121 THR THR BBB . n 
B 2 120 GLN 120 122 122 GLN GLN BBB . n 
B 2 121 VAL 121 123 123 VAL VAL BBB . n 
B 2 122 THR 122 124 124 THR THR BBB . n 
B 2 123 VAL 123 125 125 VAL VAL BBB . n 
B 2 124 SER 124 126 126 SER SER BBB . n 
B 2 125 SER 125 127 127 SER SER BBB . n 
B 2 126 LYS 126 128 ?   ?   ?   BBB . n 
B 2 127 HIS 127 129 ?   ?   ?   BBB . n 
B 2 128 HIS 128 130 ?   ?   ?   BBB . n 
B 2 129 HIS 129 131 ?   ?   ?   BBB . n 
B 2 130 HIS 130 132 ?   ?   ?   BBB . n 
B 2 131 HIS 131 133 ?   ?   ?   BBB . n 
B 2 132 HIS 132 134 ?   ?   ?   BBB . n 
C 3 1   GLN 1   2   2   GLN GLN FFF . n 
C 3 2   VAL 2   3   3   VAL VAL FFF . n 
C 3 3   GLN 3   4   4   GLN GLN FFF . n 
C 3 4   LEU 4   5   5   LEU LEU FFF . n 
C 3 5   VAL 5   6   6   VAL VAL FFF . n 
C 3 6   GLU 6   7   7   GLU GLU FFF . n 
C 3 7   SER 7   8   8   SER SER FFF . n 
C 3 8   GLY 8   9   9   GLY GLY FFF . n 
C 3 9   GLY 9   10  10  GLY GLY FFF . n 
C 3 10  GLY 10  11  11  GLY GLY FFF . n 
C 3 11  LEU 11  12  12  LEU LEU FFF . n 
C 3 12  VAL 12  13  13  VAL VAL FFF . n 
C 3 13  GLN 13  14  14  GLN GLN FFF . n 
C 3 14  PRO 14  15  15  PRO PRO FFF . n 
C 3 15  GLY 15  16  16  GLY GLY FFF . n 
C 3 16  GLY 16  17  17  GLY GLY FFF . n 
C 3 17  SER 17  18  18  SER SER FFF . n 
C 3 18  LEU 18  19  19  LEU LEU FFF . n 
C 3 19  THR 19  20  20  THR THR FFF . n 
C 3 20  LEU 20  21  21  LEU LEU FFF . n 
C 3 21  SER 21  22  22  SER SER FFF . n 
C 3 22  CYS 22  23  23  CYS CYS FFF . n 
C 3 23  VAL 23  24  24  VAL VAL FFF . n 
C 3 24  ALA 24  25  25  ALA ALA FFF . n 
C 3 25  SER 25  26  26  SER SER FFF . n 
C 3 26  GLU 26  27  27  GLU GLU FFF . n 
C 3 27  SER 27  28  28  SER SER FFF . n 
C 3 28  SER 28  29  29  SER SER FFF . n 
C 3 29  LEU 29  30  30  LEU LEU FFF . n 
C 3 30  ALA 30  31  31  ALA ALA FFF . n 
C 3 31  PRO 31  32  32  PRO PRO FFF . n 
C 3 32  TYR 32  33  33  TYR TYR FFF . n 
C 3 33  ARG 33  34  34  ARG ARG FFF . n 
C 3 34  VAL 34  35  35  VAL VAL FFF . n 
C 3 35  ALA 35  36  36  ALA ALA FFF . n 
C 3 36  TRP 36  37  37  TRP TRP FFF . n 
C 3 37  PHE 37  38  38  PHE PHE FFF . n 
C 3 38  ARG 38  39  39  ARG ARG FFF . n 
C 3 39  GLN 39  40  40  GLN GLN FFF . n 
C 3 40  ALA 40  41  41  ALA ALA FFF . n 
C 3 41  PRO 41  42  42  PRO PRO FFF . n 
C 3 42  GLY 42  43  43  GLY GLY FFF . n 
C 3 43  LYS 43  44  44  LYS LYS FFF . n 
C 3 44  GLU 44  45  45  GLU GLU FFF . n 
C 3 45  ARG 45  46  46  ARG ARG FFF . n 
C 3 46  GLU 46  47  47  GLU GLU FFF . n 
C 3 47  GLY 47  48  48  GLY GLY FFF . n 
C 3 48  VAL 48  49  49  VAL VAL FFF . n 
C 3 49  SER 49  50  50  SER SER FFF . n 
C 3 50  CYS 50  51  51  CYS CYS FFF . n 
C 3 51  ILE 51  52  52  ILE ILE FFF . n 
C 3 52  SER 52  53  53  SER SER FFF . n 
C 3 53  ARG 53  54  54  ARG ARG FFF . n 
C 3 54  ASP 54  55  55  ASP ASP FFF . n 
C 3 55  ALA 55  56  56  ALA ALA FFF . n 
C 3 56  HIS 56  57  57  HIS HIS FFF . n 
C 3 57  PRO 57  58  58  PRO PRO FFF . n 
C 3 58  THR 58  59  59  THR THR FFF . n 
C 3 59  SER 59  60  60  SER SER FFF . n 
C 3 60  THR 60  61  61  THR THR FFF . n 
C 3 61  TYR 61  62  62  TYR TYR FFF . n 
C 3 62  TYR 62  63  63  TYR TYR FFF . n 
C 3 63  THR 63  64  64  THR THR FFF . n 
C 3 64  ALA 64  65  65  ALA ALA FFF . n 
C 3 65  SER 65  66  66  SER SER FFF . n 
C 3 66  VAL 66  67  67  VAL VAL FFF . n 
C 3 67  LYS 67  68  68  LYS LYS FFF . n 
C 3 68  GLY 68  69  69  GLY GLY FFF . n 
C 3 69  ARG 69  70  70  ARG ARG FFF . n 
C 3 70  PHE 70  71  71  PHE PHE FFF . n 
C 3 71  THR 71  72  72  THR THR FFF . n 
C 3 72  MET 72  73  73  MET MET FFF . n 
C 3 73  SER 73  74  74  SER SER FFF . n 
C 3 74  ARG 74  75  75  ARG ARG FFF . n 
C 3 75  ASP 75  76  76  ASP ASP FFF . n 
C 3 76  ASN 76  77  77  ASN ASN FFF . n 
C 3 77  ALA 77  78  78  ALA ALA FFF . n 
C 3 78  LYS 78  79  79  LYS LYS FFF . n 
C 3 79  ASN 79  80  80  ASN ASN FFF . n 
C 3 80  THR 80  81  81  THR THR FFF . n 
C 3 81  VAL 81  82  82  VAL VAL FFF . n 
C 3 82  TYR 82  83  83  TYR TYR FFF . n 
C 3 83  LEU 83  84  84  LEU LEU FFF . n 
C 3 84  GLN 84  85  85  GLN GLN FFF . n 
C 3 85  MET 85  86  86  MET MET FFF . n 
C 3 86  ASN 86  87  87  ASN ASN FFF . n 
C 3 87  SER 87  88  88  SER SER FFF . n 
C 3 88  LEU 88  89  89  LEU LEU FFF . n 
C 3 89  LYS 89  90  90  LYS LYS FFF . n 
C 3 90  PRO 90  91  91  PRO PRO FFF . n 
C 3 91  SER 91  92  92  SER SER FFF . n 
C 3 92  ASP 92  93  93  ASP ASP FFF . n 
C 3 93  THR 93  94  94  THR THR FFF . n 
C 3 94  ALA 94  95  95  ALA ALA FFF . n 
C 3 95  VAL 95  96  96  VAL VAL FFF . n 
C 3 96  TYR 96  97  97  TYR TYR FFF . n 
C 3 97  TYR 97  98  98  TYR TYR FFF . n 
C 3 98  CYS 98  99  99  CYS CYS FFF . n 
C 3 99  ALA 99  100 100 ALA ALA FFF . n 
C 3 100 THR 100 101 101 THR THR FFF . n 
C 3 101 ASP 101 102 102 ASP ASP FFF . n 
C 3 102 LEU 102 103 103 LEU LEU FFF . n 
C 3 103 GLY 103 104 104 GLY GLY FFF . n 
C 3 104 GLY 104 105 105 GLY GLY FFF . n 
C 3 105 TYR 105 106 106 TYR TYR FFF . n 
C 3 106 CYS 106 107 107 CYS CYS FFF . n 
C 3 107 SER 107 108 108 SER SER FFF . n 
C 3 108 ASP 108 109 109 ASP ASP FFF . n 
C 3 109 SER 109 110 110 SER SER FFF . n 
C 3 110 ASN 110 111 111 ASN ASN FFF . n 
C 3 111 TYR 111 112 112 TYR TYR FFF . n 
C 3 112 PRO 112 113 113 PRO PRO FFF . n 
C 3 113 ARG 113 114 114 ARG ARG FFF . n 
C 3 114 ALA 114 115 115 ALA ALA FFF . n 
C 3 115 TRP 115 116 116 TRP TRP FFF . n 
C 3 116 TRP 116 117 117 TRP TRP FFF . n 
C 3 117 GLY 117 118 118 GLY GLY FFF . n 
C 3 118 GLN 118 119 119 GLN GLN FFF . n 
C 3 119 GLY 119 120 120 GLY GLY FFF . n 
C 3 120 THR 120 121 121 THR THR FFF . n 
C 3 121 GLN 121 122 122 GLN GLN FFF . n 
C 3 122 VAL 122 123 123 VAL VAL FFF . n 
C 3 123 THR 123 124 124 THR THR FFF . n 
C 3 124 VAL 124 125 125 VAL VAL FFF . n 
C 3 125 SER 125 126 126 SER SER FFF . n 
C 3 126 SER 126 127 127 SER SER FFF . n 
C 3 127 LYS 127 128 ?   ?   ?   FFF . n 
C 3 128 HIS 128 129 ?   ?   ?   FFF . n 
C 3 129 HIS 129 130 ?   ?   ?   FFF . n 
C 3 130 HIS 130 131 ?   ?   ?   FFF . n 
C 3 131 HIS 131 132 ?   ?   ?   FFF . n 
C 3 132 HIS 132 133 ?   ?   ?   FFF . n 
C 3 133 HIS 133 134 ?   ?   ?   FFF . n 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
D 4 NAG 1   601 601 NAG NAG EEE . 
E 5 GOL 1   602 1   GOL GOL EEE . 
F 5 GOL 1   603 2   GOL GOL EEE . 
G 5 GOL 1   201 4   GOL GOL BBB . 
H 6 HOH 1   701 154 HOH HOH EEE . 
H 6 HOH 2   702 224 HOH HOH EEE . 
H 6 HOH 3   703 181 HOH HOH EEE . 
H 6 HOH 4   704 101 HOH HOH EEE . 
H 6 HOH 5   705 183 HOH HOH EEE . 
H 6 HOH 6   706 186 HOH HOH EEE . 
H 6 HOH 7   707 199 HOH HOH EEE . 
H 6 HOH 8   708 185 HOH HOH EEE . 
H 6 HOH 9   709 190 HOH HOH EEE . 
H 6 HOH 10  710 22  HOH HOH EEE . 
H 6 HOH 11  711 36  HOH HOH EEE . 
H 6 HOH 12  712 202 HOH HOH EEE . 
H 6 HOH 13  713 182 HOH HOH EEE . 
H 6 HOH 14  714 120 HOH HOH EEE . 
H 6 HOH 15  715 28  HOH HOH EEE . 
H 6 HOH 16  716 93  HOH HOH EEE . 
H 6 HOH 17  717 200 HOH HOH EEE . 
H 6 HOH 18  718 146 HOH HOH EEE . 
H 6 HOH 19  719 115 HOH HOH EEE . 
H 6 HOH 20  720 59  HOH HOH EEE . 
H 6 HOH 21  721 49  HOH HOH EEE . 
H 6 HOH 22  722 88  HOH HOH EEE . 
H 6 HOH 23  723 21  HOH HOH EEE . 
H 6 HOH 24  724 163 HOH HOH EEE . 
H 6 HOH 25  725 77  HOH HOH EEE . 
H 6 HOH 26  726 96  HOH HOH EEE . 
H 6 HOH 27  727 79  HOH HOH EEE . 
H 6 HOH 28  728 140 HOH HOH EEE . 
H 6 HOH 29  729 188 HOH HOH EEE . 
H 6 HOH 30  730 70  HOH HOH EEE . 
H 6 HOH 31  731 211 HOH HOH EEE . 
H 6 HOH 32  732 152 HOH HOH EEE . 
H 6 HOH 33  733 65  HOH HOH EEE . 
H 6 HOH 34  734 215 HOH HOH EEE . 
H 6 HOH 35  735 11  HOH HOH EEE . 
H 6 HOH 36  736 187 HOH HOH EEE . 
H 6 HOH 37  737 48  HOH HOH EEE . 
H 6 HOH 38  738 40  HOH HOH EEE . 
H 6 HOH 39  739 203 HOH HOH EEE . 
H 6 HOH 40  740 111 HOH HOH EEE . 
H 6 HOH 41  741 217 HOH HOH EEE . 
H 6 HOH 42  742 2   HOH HOH EEE . 
H 6 HOH 43  743 45  HOH HOH EEE . 
H 6 HOH 44  744 32  HOH HOH EEE . 
H 6 HOH 45  745 33  HOH HOH EEE . 
H 6 HOH 46  746 14  HOH HOH EEE . 
H 6 HOH 47  747 159 HOH HOH EEE . 
H 6 HOH 48  748 75  HOH HOH EEE . 
H 6 HOH 49  749 179 HOH HOH EEE . 
H 6 HOH 50  750 7   HOH HOH EEE . 
H 6 HOH 51  751 117 HOH HOH EEE . 
H 6 HOH 52  752 201 HOH HOH EEE . 
H 6 HOH 53  753 6   HOH HOH EEE . 
H 6 HOH 54  754 18  HOH HOH EEE . 
H 6 HOH 55  755 103 HOH HOH EEE . 
H 6 HOH 56  756 25  HOH HOH EEE . 
H 6 HOH 57  757 4   HOH HOH EEE . 
H 6 HOH 58  758 128 HOH HOH EEE . 
H 6 HOH 59  759 97  HOH HOH EEE . 
H 6 HOH 60  760 193 HOH HOH EEE . 
H 6 HOH 61  761 86  HOH HOH EEE . 
H 6 HOH 62  762 34  HOH HOH EEE . 
H 6 HOH 63  763 89  HOH HOH EEE . 
H 6 HOH 64  764 57  HOH HOH EEE . 
H 6 HOH 65  765 109 HOH HOH EEE . 
H 6 HOH 66  766 174 HOH HOH EEE . 
H 6 HOH 67  767 130 HOH HOH EEE . 
H 6 HOH 68  768 39  HOH HOH EEE . 
H 6 HOH 69  769 62  HOH HOH EEE . 
H 6 HOH 70  770 138 HOH HOH EEE . 
H 6 HOH 71  771 121 HOH HOH EEE . 
H 6 HOH 72  772 151 HOH HOH EEE . 
H 6 HOH 73  773 63  HOH HOH EEE . 
H 6 HOH 74  774 64  HOH HOH EEE . 
H 6 HOH 75  775 180 HOH HOH EEE . 
H 6 HOH 76  776 166 HOH HOH EEE . 
H 6 HOH 77  777 176 HOH HOH EEE . 
H 6 HOH 78  778 83  HOH HOH EEE . 
H 6 HOH 79  779 55  HOH HOH EEE . 
H 6 HOH 80  780 158 HOH HOH EEE . 
H 6 HOH 81  781 124 HOH HOH EEE . 
H 6 HOH 82  782 76  HOH HOH EEE . 
H 6 HOH 83  783 143 HOH HOH EEE . 
H 6 HOH 84  784 72  HOH HOH EEE . 
H 6 HOH 85  785 29  HOH HOH EEE . 
H 6 HOH 86  786 38  HOH HOH EEE . 
H 6 HOH 87  787 35  HOH HOH EEE . 
H 6 HOH 88  788 133 HOH HOH EEE . 
H 6 HOH 89  789 91  HOH HOH EEE . 
H 6 HOH 90  790 17  HOH HOH EEE . 
H 6 HOH 91  791 205 HOH HOH EEE . 
H 6 HOH 92  792 31  HOH HOH EEE . 
H 6 HOH 93  793 19  HOH HOH EEE . 
H 6 HOH 94  794 52  HOH HOH EEE . 
H 6 HOH 95  795 113 HOH HOH EEE . 
H 6 HOH 96  796 71  HOH HOH EEE . 
H 6 HOH 97  797 12  HOH HOH EEE . 
H 6 HOH 98  798 161 HOH HOH EEE . 
H 6 HOH 99  799 5   HOH HOH EEE . 
H 6 HOH 100 800 157 HOH HOH EEE . 
H 6 HOH 101 801 82  HOH HOH EEE . 
H 6 HOH 102 802 162 HOH HOH EEE . 
H 6 HOH 103 803 141 HOH HOH EEE . 
H 6 HOH 104 804 206 HOH HOH EEE . 
H 6 HOH 105 805 78  HOH HOH EEE . 
H 6 HOH 106 806 42  HOH HOH EEE . 
H 6 HOH 107 807 132 HOH HOH EEE . 
H 6 HOH 108 808 53  HOH HOH EEE . 
H 6 HOH 109 809 191 HOH HOH EEE . 
H 6 HOH 110 810 69  HOH HOH EEE . 
H 6 HOH 111 811 123 HOH HOH EEE . 
H 6 HOH 112 812 114 HOH HOH EEE . 
H 6 HOH 113 813 74  HOH HOH EEE . 
H 6 HOH 114 814 142 HOH HOH EEE . 
H 6 HOH 115 815 156 HOH HOH EEE . 
H 6 HOH 116 816 189 HOH HOH EEE . 
H 6 HOH 117 817 119 HOH HOH EEE . 
H 6 HOH 118 818 216 HOH HOH EEE . 
H 6 HOH 119 819 16  HOH HOH EEE . 
H 6 HOH 120 820 169 HOH HOH EEE . 
H 6 HOH 121 821 198 HOH HOH EEE . 
H 6 HOH 122 822 218 HOH HOH EEE . 
H 6 HOH 123 823 207 HOH HOH EEE . 
H 6 HOH 124 824 134 HOH HOH EEE . 
H 6 HOH 125 825 225 HOH HOH EEE . 
H 6 HOH 126 826 171 HOH HOH EEE . 
H 6 HOH 127 827 125 HOH HOH EEE . 
H 6 HOH 128 828 145 HOH HOH EEE . 
H 6 HOH 129 829 118 HOH HOH EEE . 
H 6 HOH 130 830 165 HOH HOH EEE . 
H 6 HOH 131 831 26  HOH HOH EEE . 
I 6 HOH 1   301 209 HOH HOH BBB . 
I 6 HOH 2   302 131 HOH HOH BBB . 
I 6 HOH 3   303 116 HOH HOH BBB . 
I 6 HOH 4   304 197 HOH HOH BBB . 
I 6 HOH 5   305 107 HOH HOH BBB . 
I 6 HOH 6   306 219 HOH HOH BBB . 
I 6 HOH 7   307 54  HOH HOH BBB . 
I 6 HOH 8   308 177 HOH HOH BBB . 
I 6 HOH 9   309 104 HOH HOH BBB . 
I 6 HOH 10  310 106 HOH HOH BBB . 
I 6 HOH 11  311 95  HOH HOH BBB . 
I 6 HOH 12  312 194 HOH HOH BBB . 
I 6 HOH 13  313 153 HOH HOH BBB . 
I 6 HOH 14  314 67  HOH HOH BBB . 
I 6 HOH 15  315 60  HOH HOH BBB . 
I 6 HOH 16  316 105 HOH HOH BBB . 
I 6 HOH 17  317 110 HOH HOH BBB . 
I 6 HOH 18  318 127 HOH HOH BBB . 
I 6 HOH 19  319 46  HOH HOH BBB . 
I 6 HOH 20  320 41  HOH HOH BBB . 
I 6 HOH 21  321 27  HOH HOH BBB . 
I 6 HOH 22  322 3   HOH HOH BBB . 
I 6 HOH 23  323 9   HOH HOH BBB . 
I 6 HOH 24  324 24  HOH HOH BBB . 
I 6 HOH 25  325 144 HOH HOH BBB . 
I 6 HOH 26  326 51  HOH HOH BBB . 
I 6 HOH 27  327 8   HOH HOH BBB . 
I 6 HOH 28  328 98  HOH HOH BBB . 
I 6 HOH 29  329 37  HOH HOH BBB . 
I 6 HOH 30  330 208 HOH HOH BBB . 
I 6 HOH 31  331 61  HOH HOH BBB . 
I 6 HOH 32  332 30  HOH HOH BBB . 
I 6 HOH 33  333 90  HOH HOH BBB . 
I 6 HOH 34  334 66  HOH HOH BBB . 
I 6 HOH 35  335 92  HOH HOH BBB . 
I 6 HOH 36  336 10  HOH HOH BBB . 
I 6 HOH 37  337 1   HOH HOH BBB . 
I 6 HOH 38  338 178 HOH HOH BBB . 
I 6 HOH 39  339 73  HOH HOH BBB . 
I 6 HOH 40  340 44  HOH HOH BBB . 
I 6 HOH 41  341 173 HOH HOH BBB . 
I 6 HOH 42  342 99  HOH HOH BBB . 
I 6 HOH 43  343 81  HOH HOH BBB . 
I 6 HOH 44  344 139 HOH HOH BBB . 
I 6 HOH 45  345 43  HOH HOH BBB . 
I 6 HOH 46  346 58  HOH HOH BBB . 
I 6 HOH 47  347 175 HOH HOH BBB . 
I 6 HOH 48  348 112 HOH HOH BBB . 
I 6 HOH 49  349 102 HOH HOH BBB . 
I 6 HOH 50  350 85  HOH HOH BBB . 
I 6 HOH 51  351 192 HOH HOH BBB . 
I 6 HOH 52  352 135 HOH HOH BBB . 
I 6 HOH 53  353 137 HOH HOH BBB . 
I 6 HOH 54  354 195 HOH HOH BBB . 
I 6 HOH 55  355 168 HOH HOH BBB . 
I 6 HOH 56  356 122 HOH HOH BBB . 
I 6 HOH 57  357 196 HOH HOH BBB . 
I 6 HOH 58  358 170 HOH HOH BBB . 
I 6 HOH 59  359 220 HOH HOH BBB . 
I 6 HOH 60  360 100 HOH HOH BBB . 
I 6 HOH 61  361 221 HOH HOH BBB . 
J 6 HOH 1   201 164 HOH HOH FFF . 
J 6 HOH 2   202 212 HOH HOH FFF . 
J 6 HOH 3   203 213 HOH HOH FFF . 
J 6 HOH 4   204 150 HOH HOH FFF . 
J 6 HOH 5   205 214 HOH HOH FFF . 
J 6 HOH 6   206 50  HOH HOH FFF . 
J 6 HOH 7   207 223 HOH HOH FFF . 
J 6 HOH 8   208 129 HOH HOH FFF . 
J 6 HOH 9   209 147 HOH HOH FFF . 
J 6 HOH 10  210 184 HOH HOH FFF . 
J 6 HOH 11  211 84  HOH HOH FFF . 
J 6 HOH 12  212 47  HOH HOH FFF . 
J 6 HOH 13  213 13  HOH HOH FFF . 
J 6 HOH 14  214 149 HOH HOH FFF . 
J 6 HOH 15  215 68  HOH HOH FFF . 
J 6 HOH 16  216 222 HOH HOH FFF . 
J 6 HOH 17  217 87  HOH HOH FFF . 
J 6 HOH 18  218 80  HOH HOH FFF . 
J 6 HOH 19  219 136 HOH HOH FFF . 
J 6 HOH 20  220 210 HOH HOH FFF . 
J 6 HOH 21  221 94  HOH HOH FFF . 
J 6 HOH 22  222 167 HOH HOH FFF . 
J 6 HOH 23  223 204 HOH HOH FFF . 
J 6 HOH 24  224 15  HOH HOH FFF . 
# 
loop_
_software.citation_id 
_software.classification 
_software.compiler_name 
_software.compiler_version 
_software.contact_author 
_software.contact_author_email 
_software.date 
_software.description 
_software.dependencies 
_software.hardware 
_software.language 
_software.location 
_software.mods 
_software.name 
_software.os 
_software.os_version 
_software.type 
_software.version 
_software.pdbx_ordinal 
? refinement       ? ? ? ? ? ? ? ? ? ? ? REFMAC ? ? ? 5.8.0267 1 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? xia2   ? ? ? .        2 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? DIALS  ? ? ? .        3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHASER ? ? ? .        4 
? 'model building' ? ? ? ? ? ? ? ? ? ? ? Coot   ? ? ? .        5 
# 
_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                     8OWV 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     57.775 
_cell.length_a_esd                 ? 
_cell.length_b                     59.438 
_cell.length_b_esd                 ? 
_cell.length_c                     145.624 
_cell.length_c_esd                 ? 
_cell.volume                       ? 
_cell.volume_esd                   ? 
_cell.Z_PDB                        4 
_cell.reciprocal_angle_alpha       ? 
_cell.reciprocal_angle_beta        ? 
_cell.reciprocal_angle_gamma       ? 
_cell.reciprocal_angle_alpha_esd   ? 
_cell.reciprocal_angle_beta_esd    ? 
_cell.reciprocal_angle_gamma_esd   ? 
_cell.reciprocal_length_a          ? 
_cell.reciprocal_length_b          ? 
_cell.reciprocal_length_c          ? 
_cell.reciprocal_length_a_esd      ? 
_cell.reciprocal_length_b_esd      ? 
_cell.reciprocal_length_c_esd      ? 
_cell.pdbx_unique_axis             ? 
_cell.pdbx_esd_method              ? 
# 
_symmetry.entry_id                         8OWV 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                19 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'P 21 21 21' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
# 
_exptl.absorpt_coefficient_mu     ? 
_exptl.absorpt_correction_T_max   ? 
_exptl.absorpt_correction_T_min   ? 
_exptl.absorpt_correction_type    ? 
_exptl.absorpt_process_details    ? 
_exptl.entry_id                   8OWV 
_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             2.35 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          47.67 
_exptl_crystal.description                  ? 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_esd   ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, SITTING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              ? 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    'PEG 4000' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            293 
# 
_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 XE 16M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2021-08-10 
_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   0.976 
_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                        'DIAMOND BEAMLINE I03' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.976 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   I03 
_diffrn_source.pdbx_synchrotron_site       Diamond 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       8OWV 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.73 
_reflns.d_resolution_low                               59.52 
_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                                     53452 
_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                           100 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                12.5 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          11.5 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               ? 
_reflns.pdbx_scaling_rejects                           ? 
_reflns.pdbx_d_res_high_opt                            ? 
_reflns.pdbx_d_res_low_opt                             ? 
_reflns.pdbx_d_res_opt_method                          ? 
_reflns.phase_calculation_details                      ? 
_reflns.pdbx_Rrim_I_all                                ? 
_reflns.pdbx_Rpim_I_all                                0.031 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.999 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.105 
_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                                    1.73 
_reflns_shell.d_res_low                                     1.76 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           ? 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             2634 
_reflns_shell.percent_possible_obs                          ? 
_reflns_shell.Rmerge_F_all                                  ? 
_reflns_shell.Rmerge_F_obs                                  ? 
_reflns_shell.meanI_over_sigI_gt                            ? 
_reflns_shell.meanI_over_uI_all                             ? 
_reflns_shell.meanI_over_uI_gt                              ? 
_reflns_shell.number_measured_gt                            ? 
_reflns_shell.number_unique_gt                              ? 
_reflns_shell.percent_possible_gt                           ? 
_reflns_shell.Rmerge_F_gt                                   ? 
_reflns_shell.Rmerge_I_gt                                   ? 
_reflns_shell.pdbx_redundancy                               ? 
_reflns_shell.pdbx_chi_squared                              ? 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     ? 
_reflns_shell.pdbx_Rrim_I_all                               ? 
_reflns_shell.pdbx_Rpim_I_all                               ? 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.700 
_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                                  ? 
_reflns_shell.pdbx_Rsym_value                               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal             ? 
_reflns_shell.pdbx_percent_possible_spherical               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal_anomalous   ? 
_reflns_shell.pdbx_percent_possible_spherical_anomalous     ? 
_reflns_shell.pdbx_redundancy_anomalous                     ? 
_reflns_shell.pdbx_CC_half_anomalous                        ? 
_reflns_shell.pdbx_absDiff_over_sigma_anomalous             ? 
_reflns_shell.pdbx_percent_possible_anomalous               ? 
# 
_refine.aniso_B[1][1]                            0.963 
_refine.aniso_B[1][2]                            -0.000 
_refine.aniso_B[1][3]                            0.000 
_refine.aniso_B[2][2]                            -0.016 
_refine.aniso_B[2][3]                            -0.000 
_refine.aniso_B[3][3]                            -0.948 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               38.513 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.965 
_refine.correlation_coeff_Fo_to_Fc_free          0.954 
_refine.details                                  'Hydrogens have been added in their riding positions' 
_refine.diff_density_max                         ? 
_refine.diff_density_max_esd                     ? 
_refine.diff_density_min                         ? 
_refine.diff_density_min_esd                     ? 
_refine.diff_density_rms                         ? 
_refine.diff_density_rms_esd                     ? 
_refine.entry_id                                 8OWV 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_abs_structure_details                 ? 
_refine.ls_abs_structure_Flack                   ? 
_refine.ls_abs_structure_Flack_esd               ? 
_refine.ls_abs_structure_Rogers                  ? 
_refine.ls_abs_structure_Rogers_esd              ? 
_refine.ls_d_res_high                            1.730 
_refine.ls_d_res_low                             59.438 
_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                     53238 
_refine.ls_number_reflns_R_free                  2623 
_refine.ls_number_reflns_R_work                  50615 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.979 
_refine.ls_percent_reflns_R_free                 4.927 
_refine.ls_R_factor_all                          0.199 
_refine.ls_R_factor_obs                          ? 
_refine.ls_R_factor_R_free                       0.2234 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1972 
_refine.ls_R_Fsqd_factor_obs                     ? 
_refine.ls_R_I_factor_obs                        ? 
_refine.ls_redundancy_reflns_all                 ? 
_refine.ls_redundancy_reflns_obs                 ? 
_refine.ls_restrained_S_all                      ? 
_refine.ls_restrained_S_obs                      ? 
_refine.ls_shift_over_esd_max                    ? 
_refine.ls_shift_over_esd_mean                   ? 
_refine.ls_structure_factor_coef                 ? 
_refine.ls_weighting_details                     ? 
_refine.ls_weighting_scheme                      ? 
_refine.ls_wR_factor_all                         ? 
_refine.ls_wR_factor_obs                         ? 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_wR_factor_R_work                      ? 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.solvent_model_details                    'MASK BULK SOLVENT' 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_R_complete                          ? 
_refine.ls_R_factor_gt                           ? 
_refine.ls_goodness_of_fit_gt                    ? 
_refine.ls_goodness_of_fit_ref                   ? 
_refine.ls_shift_over_su_max                     ? 
_refine.ls_shift_over_su_max_lt                  ? 
_refine.ls_shift_over_su_mean                    ? 
_refine.ls_shift_over_su_mean_lt                 ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          ? 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               'FREE R-VALUE' 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       ? 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       0.113 
_refine.pdbx_overall_ESU_R_Free                  0.107 
_refine.pdbx_solvent_vdw_probe_radii             1.200 
_refine.pdbx_solvent_ion_probe_radii             0.900 
_refine.pdbx_solvent_shrinkage_radii             0.900 
_refine.pdbx_real_space_R                        ? 
_refine.pdbx_density_correlation                 ? 
_refine.pdbx_pd_number_of_powder_patterns        ? 
_refine.pdbx_pd_number_of_points                 ? 
_refine.pdbx_pd_meas_number_of_points            ? 
_refine.pdbx_pd_proc_ls_prof_R_factor            ? 
_refine.pdbx_pd_proc_ls_prof_wR_factor           ? 
_refine.pdbx_pd_Marquardt_correlation_coeff      ? 
_refine.pdbx_pd_Fsqrd_R_factor                   ? 
_refine.pdbx_pd_ls_matrix_band_width             ? 
_refine.pdbx_overall_phase_error                 ? 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_diffrn_id                           1 
_refine.overall_SU_B                             7.878 
_refine.overall_SU_ML                            0.116 
_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.pdbx_number_atoms_protein        3512 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         32 
_refine_hist.number_atoms_solvent             216 
_refine_hist.number_atoms_total               3760 
_refine_hist.d_res_high                       1.730 
_refine_hist.d_res_low                        59.438 
# 
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' ? 0.006  0.012  3669 ? r_bond_refined_d               ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.018  3289 ? r_bond_other_d                 ? ? 
'X-RAY DIFFRACTION' ? 1.403  1.656  4999 ? r_angle_refined_deg            ? ? 
'X-RAY DIFFRACTION' ? 1.263  1.581  7563 ? r_angle_other_deg              ? ? 
'X-RAY DIFFRACTION' ? 7.303  5.000  458  ? r_dihedral_angle_1_deg         ? ? 
'X-RAY DIFFRACTION' ? 31.388 21.487 195  ? r_dihedral_angle_2_deg         ? ? 
'X-RAY DIFFRACTION' ? 13.143 15.000 547  ? r_dihedral_angle_3_deg         ? ? 
'X-RAY DIFFRACTION' ? 18.145 15.000 25   ? r_dihedral_angle_4_deg         ? ? 
'X-RAY DIFFRACTION' ? 0.060  0.200  465  ? r_chiral_restr                 ? ? 
'X-RAY DIFFRACTION' ? 0.006  0.020  4240 ? r_gen_planes_refined           ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.020  940  ? r_gen_planes_other             ? ? 
'X-RAY DIFFRACTION' ? 0.186  0.200  559  ? r_nbd_refined                  ? ? 
'X-RAY DIFFRACTION' ? 0.177  0.200  3098 ? r_symmetry_nbd_other           ? ? 
'X-RAY DIFFRACTION' ? 0.169  0.200  1768 ? r_nbtor_refined                ? ? 
'X-RAY DIFFRACTION' ? 0.076  0.200  1742 ? r_symmetry_nbtor_other         ? ? 
'X-RAY DIFFRACTION' ? 0.153  0.200  203  ? r_xyhbond_nbd_refined          ? ? 
'X-RAY DIFFRACTION' ? 0.128  0.200  14   ? r_symmetry_nbd_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.169  0.200  60   ? r_nbd_other                    ? ? 
'X-RAY DIFFRACTION' ? 0.180  0.200  17   ? r_symmetry_xyhbond_nbd_refined ? ? 
'X-RAY DIFFRACTION' ? 1.007  1.379  1805 ? r_mcbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 1.006  1.378  1804 ? r_mcbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 1.582  2.060  2254 ? r_mcangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 1.581  2.060  2255 ? r_mcangle_other                ? ? 
'X-RAY DIFFRACTION' ? 1.715  1.594  1864 ? r_scbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 1.716  1.596  1865 ? r_scbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 2.525  2.307  2739 ? r_scangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 2.524  2.310  2740 ? r_scangle_other                ? ? 
'X-RAY DIFFRACTION' ? 5.461  16.552 3977 ? r_lrange_it                    ? ? 
'X-RAY DIFFRACTION' ? 5.461  16.569 3978 ? r_lrange_other                 ? ? 
# 
loop_
_refine_ls_shell.pdbx_refine_id 
_refine_ls_shell.d_res_high 
_refine_ls_shell.d_res_low 
_refine_ls_shell.number_reflns_all 
_refine_ls_shell.number_reflns_obs 
_refine_ls_shell.number_reflns_R_free 
_refine_ls_shell.number_reflns_R_work 
_refine_ls_shell.percent_reflns_obs 
_refine_ls_shell.percent_reflns_R_free 
_refine_ls_shell.R_factor_all 
_refine_ls_shell.R_factor_obs 
_refine_ls_shell.R_factor_R_free_error 
_refine_ls_shell.R_factor_R_work 
_refine_ls_shell.redundancy_reflns_all 
_refine_ls_shell.redundancy_reflns_obs 
_refine_ls_shell.wR_factor_all 
_refine_ls_shell.wR_factor_obs 
_refine_ls_shell.wR_factor_R_free 
_refine_ls_shell.wR_factor_R_work 
_refine_ls_shell.pdbx_R_complete 
_refine_ls_shell.pdbx_total_number_of_bins_used 
_refine_ls_shell.pdbx_phase_error 
_refine_ls_shell.pdbx_fsc_work 
_refine_ls_shell.pdbx_fsc_free 
_refine_ls_shell.R_factor_R_free 
'X-RAY DIFFRACTION' 1.730 1.775  3865 . 157 3700 99.7930  . 0.428 . . 0.427 . . . . . 0.422 . 20 . 0.507 0.485 0.435 
'X-RAY DIFFRACTION' 1.775 1.823  3800 . 193 3606 99.9737  . 0.381 . . 0.380 . . . . . 0.377 . 20 . 0.527 0.562 0.386 
'X-RAY DIFFRACTION' 1.823 1.876  3672 . 182 3490 100.0000 . 0.313 . . 0.313 . . . . . 0.303 . 20 . 0.752 0.755 0.321 
'X-RAY DIFFRACTION' 1.876 1.934  3595 . 173 3422 100.0000 . 0.267 . . 0.266 . . . . . 0.253 . 20 . 0.829 0.801 0.279 
'X-RAY DIFFRACTION' 1.934 1.997  3447 . 170 3277 100.0000 . 0.240 . . 0.239 . . . . . 0.217 . 20 . 0.877 0.893 0.253 
'X-RAY DIFFRACTION' 1.997 2.067  3386 . 173 3213 100.0000 . 0.216 . . 0.214 . . . . . 0.190 . 20 . 0.909 0.905 0.253 
'X-RAY DIFFRACTION' 2.067 2.145  3225 . 139 3086 100.0000 . 0.206 . . 0.205 . . . . . 0.180 . 20 . 0.917 0.913 0.233 
'X-RAY DIFFRACTION' 2.145 2.233  3127 . 171 2956 100.0000 . 0.191 . . 0.190 . . . . . 0.163 . 20 . 0.938 0.931 0.214 
'X-RAY DIFFRACTION' 2.233 2.332  2998 . 123 2875 100.0000 . 0.193 . . 0.192 . . . . . 0.163 . 20 . 0.935 0.936 0.222 
'X-RAY DIFFRACTION' 2.332 2.446  2884 . 151 2733 100.0000 . 0.201 . . 0.199 . . . . . 0.165 . 20 . 0.937 0.925 0.240 
'X-RAY DIFFRACTION' 2.446 2.578  2748 . 126 2622 100.0000 . 0.199 . . 0.196 . . . . . 0.163 . 20 . 0.936 0.910 0.260 
'X-RAY DIFFRACTION' 2.578 2.734  2600 . 153 2447 100.0000 . 0.189 . . 0.188 . . . . . 0.157 . 20 . 0.948 0.938 0.212 
'X-RAY DIFFRACTION' 2.734 2.922  2456 . 141 2315 100.0000 . 0.191 . . 0.190 . . . . . 0.160 . 20 . 0.952 0.949 0.200 
'X-RAY DIFFRACTION' 2.922 3.155  2304 . 120 2184 100.0000 . 0.195 . . 0.193 . . . . . 0.169 . 20 . 0.946 0.935 0.240 
'X-RAY DIFFRACTION' 3.155 3.456  2123 . 90  2033 100.0000 . 0.196 . . 0.193 . . . . . 0.174 . 20 . 0.946 0.921 0.284 
'X-RAY DIFFRACTION' 3.456 3.862  1924 . 107 1817 100.0000 . 0.189 . . 0.188 . . . . . 0.171 . 20 . 0.957 0.950 0.212 
'X-RAY DIFFRACTION' 3.862 4.456  1720 . 92  1628 100.0000 . 0.152 . . 0.150 . . . . . 0.141 . 20 . 0.974 0.968 0.187 
'X-RAY DIFFRACTION' 4.456 5.450  1476 . 78  1398 100.0000 . 0.146 . . 0.145 . . . . . 0.140 . 20 . 0.977 0.973 0.159 
'X-RAY DIFFRACTION' 5.450 7.675  1170 . 43  1127 100.0000 . 0.190 . . 0.189 . . . . . 0.176 . 20 . 0.967 0.959 0.233 
'X-RAY DIFFRACTION' 7.675 59.438 706  . 39  667  100.0000 . 0.183 . . 0.186 . . . . . 0.182 . 20 . 0.971 0.984 0.128 
# 
_struct.entry_id                     8OWV 
_struct.title                        'H6 and F2 nanobodies bound to SARS-CoV-2 spike RBD' 
_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        8OWV 
_struct_keywords.text            'Nanobody, Complex, Receptor binding domain, SARS-CoV-2, VIRAL PROTEIN' 
_struct_keywords.pdbx_keywords   'VIRAL PROTEIN' 
# 
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 ? 
E N N 5 ? 
F N N 5 ? 
G N N 5 ? 
H N N 6 ? 
I N N 6 ? 
J N N 6 ? 
# 
loop_
_struct_ref.id 
_struct_ref.db_name 
_struct_ref.db_code 
_struct_ref.pdbx_db_accession 
_struct_ref.pdbx_db_isoform 
_struct_ref.entity_id 
_struct_ref.pdbx_seq_one_letter_code 
_struct_ref.pdbx_align_begin 
1 UNP A0A8A5XRG7_SARS2 A0A8A5XRG7 ? 1 
;NITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQI
APGQTGNIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYLYRLFRKSNLKPFERDISTEIYQAGSTPCNGVKGFNCYF
PLQSYGFQPTYGVGYQPYRVVVLSFELLHAPATVCGPKKSTN
;
328 
2 PDB 8OWV             8OWV       ? 2 ? 1   
3 PDB 8OWV             8OWV       ? 3 ? 1   
# 
loop_
_struct_ref_seq.align_id 
_struct_ref_seq.ref_id 
_struct_ref_seq.pdbx_PDB_id_code 
_struct_ref_seq.pdbx_strand_id 
_struct_ref_seq.seq_align_beg 
_struct_ref_seq.pdbx_seq_align_beg_ins_code 
_struct_ref_seq.seq_align_end 
_struct_ref_seq.pdbx_seq_align_end_ins_code 
_struct_ref_seq.pdbx_db_accession 
_struct_ref_seq.db_align_beg 
_struct_ref_seq.pdbx_db_align_beg_ins_code 
_struct_ref_seq.db_align_end 
_struct_ref_seq.pdbx_db_align_end_ins_code 
_struct_ref_seq.pdbx_auth_seq_align_beg 
_struct_ref_seq.pdbx_auth_seq_align_end 
1 1 8OWV EEE 1 ? 202 ? A0A8A5XRG7 328 ? 529 ? 331 532 
2 2 8OWV BBB 1 ? 132 ? 8OWV       3   ? 134 ? 3   134 
3 3 8OWV FFF 1 ? 133 ? 8OWV       2   ? 134 ? 2   134 
# 
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 8OWV VAL EEE 87  ? UNP A0A8A5XRG7 ASN 414 conflict         417 1 
1 8OWV LYS EEE 203 ? UNP A0A8A5XRG7 ?   ?   'expression tag' 533 2 
1 8OWV HIS EEE 204 ? UNP A0A8A5XRG7 ?   ?   'expression tag' 534 3 
1 8OWV HIS EEE 205 ? UNP A0A8A5XRG7 ?   ?   'expression tag' 535 4 
1 8OWV HIS EEE 206 ? UNP A0A8A5XRG7 ?   ?   'expression tag' 536 5 
1 8OWV HIS EEE 207 ? UNP A0A8A5XRG7 ?   ?   'expression tag' 537 6 
1 8OWV HIS EEE 208 ? UNP A0A8A5XRG7 ?   ?   'expression tag' 538 7 
1 8OWV HIS EEE 209 ? UNP A0A8A5XRG7 ?   ?   'expression tag' 539 8 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   trimeric 
_pdbx_struct_assembly.oligomeric_count     3 
# 
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)' 3670  ? 
1 MORE         1     ? 
1 'SSA (A^2)'  21230 ? 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D,E,F,G,H,I,J 
# 
_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                ? 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1  AA1 PRO A 7   ? ASN A 13  ? PRO EEE 337 ASN EEE 343 1 ? 7 
HELX_P HELX_P2  AA2 SER A 19  ? TRP A 23  ? SER EEE 349 TRP EEE 353 5 ? 5 
HELX_P HELX_P3  AA3 ASP A 34  ? TYR A 39  ? ASP EEE 364 TYR EEE 369 5 ? 6 
HELX_P HELX_P4  AA4 SER A 53  ? ASP A 59  ? SER EEE 383 ASP EEE 389 5 ? 7 
HELX_P HELX_P5  AA5 ASP A 75  ? ILE A 80  ? ASP EEE 405 ILE EEE 410 5 ? 6 
HELX_P HELX_P6  AA6 GLY A 86  ? ASN A 92  ? GLY EEE 416 ASN EEE 422 1 ? 7 
HELX_P HELX_P7  AA7 SER A 108 ? SER A 113 ? SER EEE 438 SER EEE 443 1 ? 6 
HELX_P HELX_P8  AA8 GLY A 172 ? TYR A 175 ? GLY EEE 502 TYR EEE 505 5 ? 4 
HELX_P HELX_P9  AA9 THR B 28  ? TYR B 32  ? THR BBB 30  TYR BBB 34  5 ? 5 
HELX_P HELX_P10 AB1 LYS B 87  ? THR B 91  ? LYS BBB 89  THR BBB 93  5 ? 5 
HELX_P HELX_P11 AB2 ARG B 108 ? TYR B 112 ? ARG BBB 110 TYR BBB 114 5 ? 5 
HELX_P HELX_P12 AB3 HIS C 56  ? THR C 60  ? HIS FFF 57  THR FFF 61  5 ? 5 
HELX_P HELX_P13 AB4 ALA C 64  ? LYS C 67  ? ALA FFF 65  LYS FFF 68  5 ? 4 
HELX_P HELX_P14 AB5 ASN C 76  ? LYS C 78  ? ASN FFF 77  LYS FFF 79  5 ? 3 
HELX_P HELX_P15 AB6 LYS C 89  ? THR C 93  ? LYS FFF 90  THR FFF 94  5 ? 5 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
loop_
_struct_conn.id 
_struct_conn.conn_type_id 
_struct_conn.pdbx_leaving_atom_flag 
_struct_conn.pdbx_PDB_id 
_struct_conn.ptnr1_label_asym_id 
_struct_conn.ptnr1_label_comp_id 
_struct_conn.ptnr1_label_seq_id 
_struct_conn.ptnr1_label_atom_id 
_struct_conn.pdbx_ptnr1_label_alt_id 
_struct_conn.pdbx_ptnr1_PDB_ins_code 
_struct_conn.pdbx_ptnr1_standard_comp_id 
_struct_conn.ptnr1_symmetry 
_struct_conn.ptnr2_label_asym_id 
_struct_conn.ptnr2_label_comp_id 
_struct_conn.ptnr2_label_seq_id 
_struct_conn.ptnr2_label_atom_id 
_struct_conn.pdbx_ptnr2_label_alt_id 
_struct_conn.pdbx_ptnr2_PDB_ins_code 
_struct_conn.ptnr1_auth_asym_id 
_struct_conn.ptnr1_auth_comp_id 
_struct_conn.ptnr1_auth_seq_id 
_struct_conn.ptnr2_auth_asym_id 
_struct_conn.ptnr2_auth_comp_id 
_struct_conn.ptnr2_auth_seq_id 
_struct_conn.ptnr2_symmetry 
_struct_conn.pdbx_ptnr3_label_atom_id 
_struct_conn.pdbx_ptnr3_label_seq_id 
_struct_conn.pdbx_ptnr3_label_comp_id 
_struct_conn.pdbx_ptnr3_label_asym_id 
_struct_conn.pdbx_ptnr3_label_alt_id 
_struct_conn.pdbx_ptnr3_PDB_ins_code 
_struct_conn.details 
_struct_conn.pdbx_dist_value 
_struct_conn.pdbx_value_order 
_struct_conn.pdbx_role 
disulf1 disulf ?   ? A CYS 6   SG  ? ? ? 1_555 A CYS 31  SG ? ? EEE CYS 336 EEE CYS 361 1_555 ? ? ? ? ? ? ? 2.068 ? ? 
disulf2 disulf ?   ? A CYS 49  SG  ? ? ? 1_555 A CYS 102 SG ? ? EEE CYS 379 EEE CYS 432 1_555 ? ? ? ? ? ? ? 2.023 ? ? 
disulf3 disulf ?   ? A CYS 61  SG  ? ? ? 1_555 A CYS 195 SG ? ? EEE CYS 391 EEE CYS 525 1_555 ? ? ? ? ? ? ? 2.079 ? ? 
disulf4 disulf ?   ? A CYS 150 SG  ? ? ? 1_555 A CYS 158 SG ? ? EEE CYS 480 EEE CYS 488 1_555 ? ? ? ? ? ? ? 2.064 ? ? 
disulf5 disulf ?   ? B CYS 22  SG  ? ? ? 1_555 B CYS 96  SG ? ? BBB CYS 24  BBB CYS 98  1_555 ? ? ? ? ? ? ? 2.041 ? ? 
disulf6 disulf ?   ? C CYS 22  SG  ? ? ? 1_555 C CYS 98  SG ? ? FFF CYS 23  FFF CYS 99  1_555 ? ? ? ? ? ? ? 2.030 ? ? 
disulf7 disulf ?   ? C CYS 50  SG  ? ? ? 1_555 C CYS 106 SG ? ? FFF CYS 51  FFF CYS 107 1_555 ? ? ? ? ? ? ? 2.045 ? ? 
covale1 covale one ? A ASN 13  ND2 ? ? ? 1_555 D NAG .   C1 ? ? EEE ASN 343 EEE NAG 601 1_555 ? ? ? ? ? ? ? 1.432 ? 
N-Glycosylation 
# 
loop_
_struct_conn_type.id 
_struct_conn_type.criteria 
_struct_conn_type.reference 
disulf ? ? 
covale ? ? 
# 
_struct_mon_prot_cis.pdbx_id                1 
_struct_mon_prot_cis.label_comp_id          THR 
_struct_mon_prot_cis.label_seq_id           56 
_struct_mon_prot_cis.label_asym_id          B 
_struct_mon_prot_cis.label_alt_id           . 
_struct_mon_prot_cis.pdbx_PDB_ins_code      ? 
_struct_mon_prot_cis.auth_comp_id           THR 
_struct_mon_prot_cis.auth_seq_id            58 
_struct_mon_prot_cis.auth_asym_id           BBB 
_struct_mon_prot_cis.pdbx_label_comp_id_2   PRO 
_struct_mon_prot_cis.pdbx_label_seq_id_2    57 
_struct_mon_prot_cis.pdbx_label_asym_id_2   B 
_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     59 
_struct_mon_prot_cis.pdbx_auth_asym_id_2    BBB 
_struct_mon_prot_cis.pdbx_PDB_model_num     1 
_struct_mon_prot_cis.pdbx_omega_angle       -6.48 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 6 ? 
AA2 ? 3 ? 
AA3 ? 2 ? 
AA4 ? 2 ? 
AA5 ? 4 ? 
AA6 ? 6 ? 
AA7 ? 4 ? 
AA8 ? 4 ? 
AA9 ? 6 ? 
AB1 ? 4 ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? anti-parallel 
AA1 2 3 ? anti-parallel 
AA1 3 4 ? anti-parallel 
AA1 4 5 ? anti-parallel 
AA1 5 6 ? anti-parallel 
AA2 1 2 ? parallel      
AA2 2 3 ? anti-parallel 
AA3 1 2 ? anti-parallel 
AA4 1 2 ? anti-parallel 
AA5 1 2 ? anti-parallel 
AA5 2 3 ? anti-parallel 
AA5 3 4 ? anti-parallel 
AA6 1 2 ? parallel      
AA6 2 3 ? anti-parallel 
AA6 3 4 ? anti-parallel 
AA6 4 5 ? anti-parallel 
AA6 5 6 ? anti-parallel 
AA7 1 2 ? parallel      
AA7 2 3 ? anti-parallel 
AA7 3 4 ? anti-parallel 
AA8 1 2 ? anti-parallel 
AA8 2 3 ? anti-parallel 
AA8 3 4 ? anti-parallel 
AA9 1 2 ? parallel      
AA9 2 3 ? anti-parallel 
AA9 3 4 ? anti-parallel 
AA9 4 5 ? anti-parallel 
AA9 5 6 ? anti-parallel 
AB1 1 2 ? parallel      
AB1 2 3 ? anti-parallel 
AB1 3 4 ? anti-parallel 
# 
loop_
_struct_sheet_range.sheet_id 
_struct_sheet_range.id 
_struct_sheet_range.beg_label_comp_id 
_struct_sheet_range.beg_label_asym_id 
_struct_sheet_range.beg_label_seq_id 
_struct_sheet_range.pdbx_beg_PDB_ins_code 
_struct_sheet_range.end_label_comp_id 
_struct_sheet_range.end_label_asym_id 
_struct_sheet_range.end_label_seq_id 
_struct_sheet_range.pdbx_end_PDB_ins_code 
_struct_sheet_range.beg_auth_comp_id 
_struct_sheet_range.beg_auth_asym_id 
_struct_sheet_range.beg_auth_seq_id 
_struct_sheet_range.end_auth_comp_id 
_struct_sheet_range.end_auth_asym_id 
_struct_sheet_range.end_auth_seq_id 
AA1 1 ASN A 24  ? ILE A 28  ? ASN EEE 354 ILE EEE 358 
AA1 2 ASN A 64  ? ARG A 73  ? ASN EEE 394 ARG EEE 403 
AA1 3 PRO A 177 ? GLU A 186 ? PRO EEE 507 GLU EEE 516 
AA1 4 GLY A 101 ? ASN A 107 ? GLY EEE 431 ASN EEE 437 
AA1 5 PHE A 44  ? TYR A 50  ? PHE EEE 374 TYR EEE 380 
AA1 6 GLU B 102 ? SER B 103 ? GLU BBB 104 SER BBB 105 
AA2 1 CYS A 31  ? VAL A 32  ? CYS EEE 361 VAL EEE 362 
AA2 2 VAL A 194 ? CYS A 195 ? VAL EEE 524 CYS EEE 525 
AA2 3 CYS A 61  ? PHE A 62  ? CYS EEE 391 PHE EEE 392 
AA3 1 LEU A 122 ? ARG A 124 ? LEU EEE 452 ARG EEE 454 
AA3 2 LEU A 162 ? SER A 164 ? LEU EEE 492 SER EEE 494 
AA4 1 TYR A 143 ? GLN A 144 ? TYR EEE 473 GLN EEE 474 
AA4 2 CYS A 158 ? TYR A 159 ? CYS EEE 488 TYR EEE 489 
AA5 1 GLN B 3   ? SER B 7   ? GLN BBB 5   SER BBB 9   
AA5 2 LEU B 18  ? SER B 25  ? LEU BBB 20  SER BBB 27  
AA5 3 THR B 78  ? MET B 83  ? THR BBB 80  MET BBB 85  
AA5 4 PHE B 68  ? ASP B 73  ? PHE BBB 70  ASP BBB 75  
AA6 1 GLY B 10  ? GLN B 13  ? GLY BBB 12  GLN BBB 15  
AA6 2 THR B 119 ? SER B 124 ? THR BBB 121 SER BBB 126 
AA6 3 ALA B 92  ? ASP B 99  ? ALA BBB 94  ASP BBB 101 
AA6 4 VAL B 33  ? GLN B 39  ? VAL BBB 35  GLN BBB 41  
AA6 5 GLU B 46  ? ILE B 51  ? GLU BBB 48  ILE BBB 53  
AA6 6 THR B 58  ? TYR B 60  ? THR BBB 60  TYR BBB 62  
AA7 1 GLY B 10  ? GLN B 13  ? GLY BBB 12  GLN BBB 15  
AA7 2 THR B 119 ? SER B 124 ? THR BBB 121 SER BBB 126 
AA7 3 ALA B 92  ? ASP B 99  ? ALA BBB 94  ASP BBB 101 
AA7 4 PHE B 114 ? TRP B 115 ? PHE BBB 116 TRP BBB 117 
AA8 1 GLN C 3   ? SER C 7   ? GLN FFF 4   SER FFF 8   
AA8 2 LEU C 18  ? SER C 25  ? LEU FFF 19  SER FFF 26  
AA8 3 THR C 80  ? MET C 85  ? THR FFF 81  MET FFF 86  
AA8 4 PHE C 70  ? ASP C 75  ? PHE FFF 71  ASP FFF 76  
AA9 1 LEU C 11  ? VAL C 12  ? LEU FFF 12  VAL FFF 13  
AA9 2 THR C 120 ? VAL C 124 ? THR FFF 121 VAL FFF 125 
AA9 3 ALA C 94  ? THR C 100 ? ALA FFF 95  THR FFF 101 
AA9 4 VAL C 34  ? GLN C 39  ? VAL FFF 35  GLN FFF 40  
AA9 5 GLU C 46  ? ILE C 51  ? GLU FFF 47  ILE FFF 52  
AA9 6 TYR C 61  ? TYR C 62  ? TYR FFF 62  TYR FFF 63  
AB1 1 LEU C 11  ? VAL C 12  ? LEU FFF 12  VAL FFF 13  
AB1 2 THR C 120 ? VAL C 124 ? THR FFF 121 VAL FFF 125 
AB1 3 ALA C 94  ? THR C 100 ? ALA FFF 95  THR FFF 101 
AB1 4 TRP C 115 ? TRP C 116 ? TRP FFF 116 TRP FFF 117 
# 
loop_
_pdbx_struct_sheet_hbond.sheet_id 
_pdbx_struct_sheet_hbond.range_id_1 
_pdbx_struct_sheet_hbond.range_id_2 
_pdbx_struct_sheet_hbond.range_1_label_atom_id 
_pdbx_struct_sheet_hbond.range_1_label_comp_id 
_pdbx_struct_sheet_hbond.range_1_label_asym_id 
_pdbx_struct_sheet_hbond.range_1_label_seq_id 
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id 
_pdbx_struct_sheet_hbond.range_2_label_atom_id 
_pdbx_struct_sheet_hbond.range_2_label_comp_id 
_pdbx_struct_sheet_hbond.range_2_label_asym_id 
_pdbx_struct_sheet_hbond.range_2_label_seq_id 
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id 
AA1 1 2 N ILE A 28  ? N ILE EEE 358 O VAL A 65  ? O VAL EEE 395 
AA1 2 3 N ASP A 68  ? N ASP EEE 398 O VAL A 182 ? O VAL EEE 512 
AA1 3 4 O VAL A 181 ? O VAL EEE 511 N ILE A 104 ? N ILE EEE 434 
AA1 4 5 O GLY A 101 ? O GLY EEE 431 N TYR A 50  ? N TYR EEE 380 
AA1 5 6 N CYS A 49  ? N CYS EEE 379 O GLU B 102 ? O GLU BBB 104 
AA2 1 2 N CYS A 31  ? N CYS EEE 361 O CYS A 195 ? O CYS EEE 525 
AA2 2 3 O VAL A 194 ? O VAL EEE 524 N PHE A 62  ? N PHE EEE 392 
AA3 1 2 N TYR A 123 ? N TYR EEE 453 O GLN A 163 ? O GLN EEE 493 
AA4 1 2 N TYR A 143 ? N TYR EEE 473 O TYR A 159 ? O TYR EEE 489 
AA5 1 2 N SER B 7   ? N SER BBB 9   O ALA B 21  ? O ALA BBB 23  
AA5 2 3 N LEU B 18  ? N LEU BBB 20  O MET B 83  ? O MET BBB 85  
AA5 3 4 O GLN B 82  ? O GLN BBB 84  N THR B 69  ? N THR BBB 71  
AA6 1 2 N VAL B 12  ? N VAL BBB 14  O THR B 122 ? O THR BBB 124 
AA6 2 3 O THR B 119 ? O THR BBB 121 N TYR B 94  ? N TYR BBB 96  
AA6 3 4 O ASP B 99  ? O ASP BBB 101 N VAL B 33  ? N VAL BBB 35  
AA6 4 5 N ARG B 38  ? N ARG BBB 40  O GLU B 46  ? O GLU BBB 48  
AA6 5 6 N ALA B 50  ? N ALA BBB 52  O TYR B 59  ? O TYR BBB 61  
AA7 1 2 N VAL B 12  ? N VAL BBB 14  O THR B 122 ? O THR BBB 124 
AA7 2 3 O THR B 119 ? O THR BBB 121 N TYR B 94  ? N TYR BBB 96  
AA7 3 4 N ALA B 98  ? N ALA BBB 100 O PHE B 114 ? O PHE BBB 116 
AA8 1 2 N SER C 7   ? N SER FFF 8   O SER C 21  ? O SER FFF 22  
AA8 2 3 N LEU C 18  ? N LEU FFF 19  O MET C 85  ? O MET FFF 86  
AA8 3 4 O GLN C 84  ? O GLN FFF 85  N THR C 71  ? N THR FFF 72  
AA9 1 2 N VAL C 12  ? N VAL FFF 13  O THR C 123 ? O THR FFF 124 
AA9 2 3 O THR C 120 ? O THR FFF 121 N TYR C 96  ? N TYR FFF 97  
AA9 3 4 O TYR C 97  ? O TYR FFF 98  N PHE C 37  ? N PHE FFF 38  
AA9 4 5 N TRP C 36  ? N TRP FFF 37  O VAL C 48  ? O VAL FFF 49  
AA9 5 6 N CYS C 50  ? N CYS FFF 51  O TYR C 61  ? O TYR FFF 62  
AB1 1 2 N VAL C 12  ? N VAL FFF 13  O THR C 123 ? O THR FFF 124 
AB1 2 3 O THR C 120 ? O THR FFF 121 N TYR C 96  ? N TYR FFF 97  
AB1 3 4 N THR C 100 ? N THR FFF 101 O TRP C 115 ? O TRP FFF 116 
# 
_pdbx_validate_close_contact.id               1 
_pdbx_validate_close_contact.PDB_model_num    1 
_pdbx_validate_close_contact.auth_atom_id_1   O 
_pdbx_validate_close_contact.auth_asym_id_1   BBB 
_pdbx_validate_close_contact.auth_comp_id_1   HOH 
_pdbx_validate_close_contact.auth_seq_id_1    308 
_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   BBB 
_pdbx_validate_close_contact.auth_comp_id_2   HOH 
_pdbx_validate_close_contact.auth_seq_id_2    345 
_pdbx_validate_close_contact.PDB_ins_code_2   ? 
_pdbx_validate_close_contact.label_alt_id_2   ? 
_pdbx_validate_close_contact.dist             2.16 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 ALA EEE 352 ? ? -107.70 40.06   
2 1 ASN EEE 422 ? ? -127.66 -57.24  
3 1 SER BBB 57  ? ? 93.65   -6.55   
4 1 ALA BBB 94  ? ? 175.39  166.16  
5 1 TYR BBB 107 ? ? -99.64  57.18   
6 1 GLU FFF 27  ? ? 74.39   -18.76  
7 1 ALA FFF 95  ? ? 172.22  170.85  
8 1 ARG FFF 114 ? ? -145.28 23.55   
9 1 SER FFF 126 ? ? -169.23 -165.20 
# 
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 53.6390 -3.7590 -41.2070 0.2987 ? 0.1456  ? 0.0012  ? 0.3531 ? 0.0482  ? 0.3400 ? 6.0941 ? 3.1142 
? -2.0147 ? 4.4320  ? -0.8029 ? 2.1494 ? -0.1107 ? -0.6775 ? -0.2847 ? 0.1657  ? -0.0853 ? -0.4361 ? 0.4480  ? 0.8179  ? 0.1960  ? 
2  'X-RAY DIFFRACTION' ? refined 51.9460 12.3330 -39.0350 0.3661 ? -0.0644 ? 0.0466  ? 0.2388 ? -0.0728 ? 0.4432 ? 6.8336 ? 1.1889 
? 3.0734  ? 11.0137 ? 5.5001  ? 4.6669 ? -0.2391 ? -0.2811 ? 0.5896  ? 0.0772  ? 0.2893  ? -0.0873 ? -0.2331 ? 0.2314  ? -0.0502 ? 
3  'X-RAY DIFFRACTION' ? refined 45.2480 2.1640  -49.5500 0.2025 ? -0.0140 ? 0.0304  ? 0.1281 ? 0.0291  ? 0.2593 ? 6.2869 ? 2.7501 
? -1.0865 ? 3.7692  ? 0.0327  ? 2.0239 ? -0.1155 ? 0.7466  ? 0.4223  ? -0.2248 ? 0.1179  ? 0.2067  ? 0.0068  ? -0.0355 ? -0.0025 ? 
4  'X-RAY DIFFRACTION' ? refined 50.4150 2.1020  -43.0450 0.1977 ? 0.0044  ? -0.0040 ? 0.1246 ? -0.0095 ? 0.2646 ? 4.7854 ? 
-0.0506 ? -1.8542 ? 1.0200  ? 0.4495  ? 2.7933 ? -0.0640 ? -0.1049 ? 0.1011  ? -0.0319 ? 0.0828  ? -0.3474 ? 0.0967  ? 0.5035  ? 
-0.0188 ? 
5  'X-RAY DIFFRACTION' ? refined 15.3020 0.6160  -34.5440 0.2264 ? -0.0283 ? 0.0498  ? 0.2087 ? -0.0660 ? 0.3120 ? 2.5070 ? 
-0.5771 ? 1.8452  ? 2.4628  ? -2.3599 ? 6.2290 ? -0.0085 ? 0.1175  ? -0.0469 ? 0.0178  ? -0.0303 ? 0.5123  ? 0.1367  ? -0.6813 ? 
0.0388  ? 
6  'X-RAY DIFFRACTION' ? refined 26.5710 0.6170  -32.2000 0.2316 ? -0.0071 ? 0.0197  ? 0.0102 ? 0.0102  ? 0.1438 ? 0.8691 ? 0.0458 
? 0.5490  ? 2.7535  ? 0.7243  ? 2.0508 ? -0.0100 ? 0.0150  ? 0.0115  ? 0.1671  ? -0.0326 ? 0.1194  ? 0.0256  ? -0.1115 ? 0.0426  ? 
7  'X-RAY DIFFRACTION' ? refined 23.5310 -8.0120 -9.1430  0.6662 ? -0.0403 ? 0.1041  ? 0.1097 ? 0.0474  ? 0.1959 ? 1.3595 ? 0.1296 
? -0.6354 ? 1.5866  ? -0.0242 ? 5.2373 ? -0.0394 ? -0.2990 ? -0.1085 ? 0.7688  ? -0.0255 ? 0.2452  ? 0.3937  ? -0.2642 ? 0.0649  ? 
8  'X-RAY DIFFRACTION' ? refined 24.3620 0.8540  -30.7980 0.1597 ? 0.0134  ? 0.0330  ? 0.0219 ? 0.0124  ? 0.1623 ? 0.6916 ? 0.1920 
? 0.2054  ? 3.6709  ? 0.9278  ? 1.4772 ? -0.0321 ? -0.0223 ? -0.0316 ? 0.2076  ? 0.0131  ? 0.1040  ? -0.0240 ? -0.0519 ? 0.0190  ? 
9  'X-RAY DIFFRACTION' ? refined 47.1490 -1.5890 0.6500   0.7080 ? 0.0324  ? -0.0763 ? 0.2943 ? 0.0051  ? 0.1745 ? 3.1550 ? 1.2981 
? 1.8010  ? 4.8860  ? 1.8021  ? 2.1856 ? 0.0939  ? -0.5757 ? -0.0071 ? 0.2465  ? -0.0048 ? -0.1632 ? 0.1268  ? -0.0363 ? -0.0891 ? 
10 'X-RAY DIFFRACTION' ? refined 38.5380 9.4120  7.4460   0.4383 ? 0.0172  ? 0.0021  ? 0.6490 ? -0.1987 ? 0.4986 ? 4.7365 ? 3.9982 
? -1.5517 ? 6.7137  ? 3.6072  ? 8.8247 ? 0.1436  ? -0.3790 ? 0.4379  ? 0.0897  ? -0.0480 ? 0.0497  ? 0.0777  ? -0.1449 ? -0.0955 ? 
11 'X-RAY DIFFRACTION' ? refined 44.2540 2.3740  -4.1220  0.7839 ? 0.0468  ? -0.1101 ? 0.1503 ? -0.0200 ? 0.2102 ? 2.0056 ? 0.7378 
? 1.5413  ? 0.6945  ? 0.8653  ? 2.4557 ? 0.0266  ? -0.2230 ? 0.1711  ? 0.4185  ? 0.0206  ? -0.0934 ? 0.0898  ? 0.1522  ? -0.0472 ? 
# 
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  ? ? ? ? ? ? ? ? ? ? ALL '{ BBB|3-38 }'    
2  'X-RAY DIFFRACTION' 2  ? ? ? ? ? ? ? ? ? ? ALL '{ BBB|39-48 }'   
3  'X-RAY DIFFRACTION' 3  ? ? ? ? ? ? ? ? ? ? ALL '{ BBB|49-71 }'   
4  'X-RAY DIFFRACTION' 4  ? ? ? ? ? ? ? ? ? ? ALL '{ BBB|72-127 }'  
5  'X-RAY DIFFRACTION' 5  ? ? ? ? ? ? ? ? ? ? ALL '{ EEE|331-357 }' 
6  'X-RAY DIFFRACTION' 6  ? ? ? ? ? ? ? ? ? ? ALL '{ EEE|358-452 }' 
7  'X-RAY DIFFRACTION' 7  ? ? ? ? ? ? ? ? ? ? ALL '{ EEE|453-491 }' 
8  'X-RAY DIFFRACTION' 8  ? ? ? ? ? ? ? ? ? ? ALL '{ EEE|491-528 }' 
9  'X-RAY DIFFRACTION' 9  ? ? ? ? ? ? ? ? ? ? ALL '{ FFF|2-42 }'    
10 'X-RAY DIFFRACTION' 10 ? ? ? ? ? ? ? ? ? ? ALL '{ FFF|43-47 }'   
11 'X-RAY DIFFRACTION' 11 ? ? ? ? ? ? ? ? ? ? ALL '{ FFF|48-127 }'  
# 
_pdbx_entry_details.entry_id                 8OWV 
_pdbx_entry_details.has_ligand_of_interest   N 
_pdbx_entry_details.compound_details         ? 
_pdbx_entry_details.source_details           ? 
_pdbx_entry_details.nonpolymer_details       ? 
_pdbx_entry_details.sequence_details         ? 
# 
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 EEE LYS 529 ? A LYS 199 
2  1 Y 1 EEE SER 530 ? A SER 200 
3  1 Y 1 EEE THR 531 ? A THR 201 
4  1 Y 1 EEE ASN 532 ? A ASN 202 
5  1 Y 1 EEE LYS 533 ? A LYS 203 
6  1 Y 1 EEE HIS 534 ? A HIS 204 
7  1 Y 1 EEE HIS 535 ? A HIS 205 
8  1 Y 1 EEE HIS 536 ? A HIS 206 
9  1 Y 1 EEE HIS 537 ? A HIS 207 
10 1 Y 1 EEE HIS 538 ? A HIS 208 
11 1 Y 1 EEE HIS 539 ? A HIS 209 
12 1 Y 1 BBB LYS 128 ? B LYS 126 
13 1 Y 1 BBB HIS 129 ? B HIS 127 
14 1 Y 1 BBB HIS 130 ? B HIS 128 
15 1 Y 1 BBB HIS 131 ? B HIS 129 
16 1 Y 1 BBB HIS 132 ? B HIS 130 
17 1 Y 1 BBB HIS 133 ? B HIS 131 
18 1 Y 1 BBB HIS 134 ? B HIS 132 
19 1 Y 1 FFF LYS 128 ? C LYS 127 
20 1 Y 1 FFF HIS 129 ? C HIS 128 
21 1 Y 1 FFF HIS 130 ? C HIS 129 
22 1 Y 1 FFF HIS 131 ? C HIS 130 
23 1 Y 1 FFF HIS 132 ? C HIS 131 
24 1 Y 1 FFF HIS 133 ? C HIS 132 
25 1 Y 1 FFF HIS 134 ? C HIS 133 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_ordinal 
ALA N    N N N 1   
ALA CA   C N S 2   
ALA C    C N N 3   
ALA O    O N N 4   
ALA CB   C N N 5   
ALA OXT  O N N 6   
ALA H    H N N 7   
ALA H2   H N N 8   
ALA HA   H N N 9   
ALA HB1  H N N 10  
ALA HB2  H N N 11  
ALA HB3  H N N 12  
ALA HXT  H N N 13  
ARG N    N N N 14  
ARG CA   C N S 15  
ARG C    C N N 16  
ARG O    O N N 17  
ARG CB   C N N 18  
ARG CG   C N N 19  
ARG CD   C N N 20  
ARG NE   N N N 21  
ARG CZ   C N N 22  
ARG NH1  N N N 23  
ARG NH2  N N N 24  
ARG OXT  O N N 25  
ARG H    H N N 26  
ARG H2   H N N 27  
ARG HA   H N N 28  
ARG HB2  H N N 29  
ARG HB3  H N N 30  
ARG HG2  H N N 31  
ARG HG3  H N N 32  
ARG HD2  H N N 33  
ARG HD3  H N N 34  
ARG HE   H N N 35  
ARG HH11 H N N 36  
ARG HH12 H N N 37  
ARG HH21 H N N 38  
ARG HH22 H N N 39  
ARG HXT  H N N 40  
ASN N    N N N 41  
ASN CA   C N S 42  
ASN C    C N N 43  
ASN O    O N N 44  
ASN CB   C N N 45  
ASN CG   C N N 46  
ASN OD1  O N N 47  
ASN ND2  N N N 48  
ASN OXT  O N N 49  
ASN H    H N N 50  
ASN H2   H N N 51  
ASN HA   H N N 52  
ASN HB2  H N N 53  
ASN HB3  H N N 54  
ASN HD21 H N N 55  
ASN HD22 H N N 56  
ASN HXT  H N N 57  
ASP N    N N N 58  
ASP CA   C N S 59  
ASP C    C N N 60  
ASP O    O N N 61  
ASP CB   C N N 62  
ASP CG   C N N 63  
ASP OD1  O N N 64  
ASP OD2  O N N 65  
ASP OXT  O N N 66  
ASP H    H N N 67  
ASP H2   H N N 68  
ASP HA   H N N 69  
ASP HB2  H N N 70  
ASP HB3  H N N 71  
ASP HD2  H N N 72  
ASP HXT  H N N 73  
CYS N    N N N 74  
CYS CA   C N R 75  
CYS C    C N N 76  
CYS O    O N N 77  
CYS CB   C N N 78  
CYS SG   S N N 79  
CYS OXT  O N N 80  
CYS H    H N N 81  
CYS H2   H N N 82  
CYS HA   H N N 83  
CYS HB2  H N N 84  
CYS HB3  H N N 85  
CYS HG   H N N 86  
CYS HXT  H N N 87  
GLN N    N N N 88  
GLN CA   C N S 89  
GLN C    C N N 90  
GLN O    O N N 91  
GLN CB   C N N 92  
GLN CG   C N N 93  
GLN CD   C N N 94  
GLN OE1  O N N 95  
GLN NE2  N N N 96  
GLN OXT  O N N 97  
GLN H    H N N 98  
GLN H2   H N N 99  
GLN HA   H N N 100 
GLN HB2  H N N 101 
GLN HB3  H N N 102 
GLN HG2  H N N 103 
GLN HG3  H N N 104 
GLN HE21 H N N 105 
GLN HE22 H N N 106 
GLN HXT  H N N 107 
GLU N    N N N 108 
GLU CA   C N S 109 
GLU C    C N N 110 
GLU O    O N N 111 
GLU CB   C N N 112 
GLU CG   C N N 113 
GLU CD   C N N 114 
GLU OE1  O N N 115 
GLU OE2  O N N 116 
GLU OXT  O N N 117 
GLU H    H N N 118 
GLU H2   H N N 119 
GLU HA   H N N 120 
GLU HB2  H N N 121 
GLU HB3  H N N 122 
GLU HG2  H N N 123 
GLU HG3  H N N 124 
GLU HE2  H N N 125 
GLU HXT  H N N 126 
GLY N    N N N 127 
GLY CA   C N N 128 
GLY C    C N N 129 
GLY O    O N N 130 
GLY OXT  O N N 131 
GLY H    H N N 132 
GLY H2   H N N 133 
GLY HA2  H N N 134 
GLY HA3  H N N 135 
GLY HXT  H N N 136 
GOL C1   C N N 137 
GOL O1   O N N 138 
GOL C2   C N N 139 
GOL O2   O N N 140 
GOL C3   C N N 141 
GOL O3   O N N 142 
GOL H11  H N N 143 
GOL H12  H N N 144 
GOL HO1  H N N 145 
GOL H2   H N N 146 
GOL HO2  H N N 147 
GOL H31  H N N 148 
GOL H32  H N N 149 
GOL HO3  H N N 150 
HIS N    N N N 151 
HIS CA   C N S 152 
HIS C    C N N 153 
HIS O    O N N 154 
HIS CB   C N N 155 
HIS CG   C Y N 156 
HIS ND1  N Y N 157 
HIS CD2  C Y N 158 
HIS CE1  C Y N 159 
HIS NE2  N Y N 160 
HIS OXT  O N N 161 
HIS H    H N N 162 
HIS H2   H N N 163 
HIS HA   H N N 164 
HIS HB2  H N N 165 
HIS HB3  H N N 166 
HIS HD1  H N N 167 
HIS HD2  H N N 168 
HIS HE1  H N N 169 
HIS HE2  H N N 170 
HIS HXT  H N N 171 
HOH O    O N N 172 
HOH H1   H N N 173 
HOH H2   H N N 174 
ILE N    N N N 175 
ILE CA   C N S 176 
ILE C    C N N 177 
ILE O    O N N 178 
ILE CB   C N S 179 
ILE CG1  C N N 180 
ILE CG2  C N N 181 
ILE CD1  C N N 182 
ILE OXT  O N N 183 
ILE H    H N N 184 
ILE H2   H N N 185 
ILE HA   H N N 186 
ILE HB   H N N 187 
ILE HG12 H N N 188 
ILE HG13 H N N 189 
ILE HG21 H N N 190 
ILE HG22 H N N 191 
ILE HG23 H N N 192 
ILE HD11 H N N 193 
ILE HD12 H N N 194 
ILE HD13 H N N 195 
ILE HXT  H N N 196 
LEU N    N N N 197 
LEU CA   C N S 198 
LEU C    C N N 199 
LEU O    O N N 200 
LEU CB   C N N 201 
LEU CG   C N N 202 
LEU CD1  C N N 203 
LEU CD2  C N N 204 
LEU OXT  O N N 205 
LEU H    H N N 206 
LEU H2   H N N 207 
LEU HA   H N N 208 
LEU HB2  H N N 209 
LEU HB3  H N N 210 
LEU HG   H N N 211 
LEU HD11 H N N 212 
LEU HD12 H N N 213 
LEU HD13 H N N 214 
LEU HD21 H N N 215 
LEU HD22 H N N 216 
LEU HD23 H N N 217 
LEU HXT  H N N 218 
LYS N    N N N 219 
LYS CA   C N S 220 
LYS C    C N N 221 
LYS O    O N N 222 
LYS CB   C N N 223 
LYS CG   C N N 224 
LYS CD   C N N 225 
LYS CE   C N N 226 
LYS NZ   N N N 227 
LYS OXT  O N N 228 
LYS H    H N N 229 
LYS H2   H N N 230 
LYS HA   H N N 231 
LYS HB2  H N N 232 
LYS HB3  H N N 233 
LYS HG2  H N N 234 
LYS HG3  H N N 235 
LYS HD2  H N N 236 
LYS HD3  H N N 237 
LYS HE2  H N N 238 
LYS HE3  H N N 239 
LYS HZ1  H N N 240 
LYS HZ2  H N N 241 
LYS HZ3  H N N 242 
LYS HXT  H N N 243 
MET N    N N N 244 
MET CA   C N S 245 
MET C    C N N 246 
MET O    O N N 247 
MET CB   C N N 248 
MET CG   C N N 249 
MET SD   S N N 250 
MET CE   C N N 251 
MET OXT  O N N 252 
MET H    H N N 253 
MET H2   H N N 254 
MET HA   H N N 255 
MET HB2  H N N 256 
MET HB3  H N N 257 
MET HG2  H N N 258 
MET HG3  H N N 259 
MET HE1  H N N 260 
MET HE2  H N N 261 
MET HE3  H N N 262 
MET HXT  H N N 263 
NAG C1   C N R 264 
NAG C2   C N R 265 
NAG C3   C N R 266 
NAG C4   C N S 267 
NAG C5   C N R 268 
NAG C6   C N N 269 
NAG C7   C N N 270 
NAG C8   C N N 271 
NAG N2   N N N 272 
NAG O1   O N N 273 
NAG O3   O N N 274 
NAG O4   O N N 275 
NAG O5   O N N 276 
NAG O6   O N N 277 
NAG O7   O N N 278 
NAG H1   H N N 279 
NAG H2   H N N 280 
NAG H3   H N N 281 
NAG H4   H N N 282 
NAG H5   H N N 283 
NAG H61  H N N 284 
NAG H62  H N N 285 
NAG H81  H N N 286 
NAG H82  H N N 287 
NAG H83  H N N 288 
NAG HN2  H N N 289 
NAG HO1  H N N 290 
NAG HO3  H N N 291 
NAG HO4  H N N 292 
NAG HO6  H N N 293 
PHE N    N N N 294 
PHE CA   C N S 295 
PHE C    C N N 296 
PHE O    O N N 297 
PHE CB   C N N 298 
PHE CG   C Y N 299 
PHE CD1  C Y N 300 
PHE CD2  C Y N 301 
PHE CE1  C Y N 302 
PHE CE2  C Y N 303 
PHE CZ   C Y N 304 
PHE OXT  O N N 305 
PHE H    H N N 306 
PHE H2   H N N 307 
PHE HA   H N N 308 
PHE HB2  H N N 309 
PHE HB3  H N N 310 
PHE HD1  H N N 311 
PHE HD2  H N N 312 
PHE HE1  H N N 313 
PHE HE2  H N N 314 
PHE HZ   H N N 315 
PHE HXT  H N N 316 
PRO N    N N N 317 
PRO CA   C N S 318 
PRO C    C N N 319 
PRO O    O N N 320 
PRO CB   C N N 321 
PRO CG   C N N 322 
PRO CD   C N N 323 
PRO OXT  O N N 324 
PRO H    H N N 325 
PRO HA   H N N 326 
PRO HB2  H N N 327 
PRO HB3  H N N 328 
PRO HG2  H N N 329 
PRO HG3  H N N 330 
PRO HD2  H N N 331 
PRO HD3  H N N 332 
PRO HXT  H N N 333 
SER N    N N N 334 
SER CA   C N S 335 
SER C    C N N 336 
SER O    O N N 337 
SER CB   C N N 338 
SER OG   O N N 339 
SER OXT  O N N 340 
SER H    H N N 341 
SER H2   H N N 342 
SER HA   H N N 343 
SER HB2  H N N 344 
SER HB3  H N N 345 
SER HG   H N N 346 
SER HXT  H N N 347 
THR N    N N N 348 
THR CA   C N S 349 
THR C    C N N 350 
THR O    O N N 351 
THR CB   C N R 352 
THR OG1  O N N 353 
THR CG2  C N N 354 
THR OXT  O N N 355 
THR H    H N N 356 
THR H2   H N N 357 
THR HA   H N N 358 
THR HB   H N N 359 
THR HG1  H N N 360 
THR HG21 H N N 361 
THR HG22 H N N 362 
THR HG23 H N N 363 
THR HXT  H N N 364 
TRP N    N N N 365 
TRP CA   C N S 366 
TRP C    C N N 367 
TRP O    O N N 368 
TRP CB   C N N 369 
TRP CG   C Y N 370 
TRP CD1  C Y N 371 
TRP CD2  C Y N 372 
TRP NE1  N Y N 373 
TRP CE2  C Y N 374 
TRP CE3  C Y N 375 
TRP CZ2  C Y N 376 
TRP CZ3  C Y N 377 
TRP CH2  C Y N 378 
TRP OXT  O N N 379 
TRP H    H N N 380 
TRP H2   H N N 381 
TRP HA   H N N 382 
TRP HB2  H N N 383 
TRP HB3  H N N 384 
TRP HD1  H N N 385 
TRP HE1  H N N 386 
TRP HE3  H N N 387 
TRP HZ2  H N N 388 
TRP HZ3  H N N 389 
TRP HH2  H N N 390 
TRP HXT  H N N 391 
TYR N    N N N 392 
TYR CA   C N S 393 
TYR C    C N N 394 
TYR O    O N N 395 
TYR CB   C N N 396 
TYR CG   C Y N 397 
TYR CD1  C Y N 398 
TYR CD2  C Y N 399 
TYR CE1  C Y N 400 
TYR CE2  C Y N 401 
TYR CZ   C Y N 402 
TYR OH   O N N 403 
TYR OXT  O N N 404 
TYR H    H N N 405 
TYR H2   H N N 406 
TYR HA   H N N 407 
TYR HB2  H N N 408 
TYR HB3  H N N 409 
TYR HD1  H N N 410 
TYR HD2  H N N 411 
TYR HE1  H N N 412 
TYR HE2  H N N 413 
TYR HH   H N N 414 
TYR HXT  H N N 415 
VAL N    N N N 416 
VAL CA   C N S 417 
VAL C    C N N 418 
VAL O    O N N 419 
VAL CB   C N N 420 
VAL CG1  C N N 421 
VAL CG2  C N N 422 
VAL OXT  O N N 423 
VAL H    H N N 424 
VAL H2   H N N 425 
VAL HA   H N N 426 
VAL HB   H N N 427 
VAL HG11 H N N 428 
VAL HG12 H N N 429 
VAL HG13 H N N 430 
VAL HG21 H N N 431 
VAL HG22 H N N 432 
VAL HG23 H N N 433 
VAL HXT  H N N 434 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
ALA N   CA   sing N N 1   
ALA N   H    sing N N 2   
ALA N   H2   sing N N 3   
ALA CA  C    sing N N 4   
ALA CA  CB   sing N N 5   
ALA CA  HA   sing N N 6   
ALA C   O    doub N N 7   
ALA C   OXT  sing N N 8   
ALA CB  HB1  sing N N 9   
ALA CB  HB2  sing N N 10  
ALA CB  HB3  sing N N 11  
ALA OXT HXT  sing N N 12  
ARG N   CA   sing N N 13  
ARG N   H    sing N N 14  
ARG N   H2   sing N N 15  
ARG CA  C    sing N N 16  
ARG CA  CB   sing N N 17  
ARG CA  HA   sing N N 18  
ARG C   O    doub N N 19  
ARG C   OXT  sing N N 20  
ARG CB  CG   sing N N 21  
ARG CB  HB2  sing N N 22  
ARG CB  HB3  sing N N 23  
ARG CG  CD   sing N N 24  
ARG CG  HG2  sing N N 25  
ARG CG  HG3  sing N N 26  
ARG CD  NE   sing N N 27  
ARG CD  HD2  sing N N 28  
ARG CD  HD3  sing N N 29  
ARG NE  CZ   sing N N 30  
ARG NE  HE   sing N N 31  
ARG CZ  NH1  sing N N 32  
ARG CZ  NH2  doub N N 33  
ARG NH1 HH11 sing N N 34  
ARG NH1 HH12 sing N N 35  
ARG NH2 HH21 sing N N 36  
ARG NH2 HH22 sing N N 37  
ARG OXT HXT  sing N N 38  
ASN N   CA   sing N N 39  
ASN N   H    sing N N 40  
ASN N   H2   sing N N 41  
ASN CA  C    sing N N 42  
ASN CA  CB   sing N N 43  
ASN CA  HA   sing N N 44  
ASN C   O    doub N N 45  
ASN C   OXT  sing N N 46  
ASN CB  CG   sing N N 47  
ASN CB  HB2  sing N N 48  
ASN CB  HB3  sing N N 49  
ASN CG  OD1  doub N N 50  
ASN CG  ND2  sing N N 51  
ASN ND2 HD21 sing N N 52  
ASN ND2 HD22 sing N N 53  
ASN OXT HXT  sing N N 54  
ASP N   CA   sing N N 55  
ASP N   H    sing N N 56  
ASP N   H2   sing N N 57  
ASP CA  C    sing N N 58  
ASP CA  CB   sing N N 59  
ASP CA  HA   sing N N 60  
ASP C   O    doub N N 61  
ASP C   OXT  sing N N 62  
ASP CB  CG   sing N N 63  
ASP CB  HB2  sing N N 64  
ASP CB  HB3  sing N N 65  
ASP CG  OD1  doub N N 66  
ASP CG  OD2  sing N N 67  
ASP OD2 HD2  sing N N 68  
ASP OXT HXT  sing N N 69  
CYS N   CA   sing N N 70  
CYS N   H    sing N N 71  
CYS N   H2   sing N N 72  
CYS CA  C    sing N N 73  
CYS CA  CB   sing N N 74  
CYS CA  HA   sing N N 75  
CYS C   O    doub N N 76  
CYS C   OXT  sing N N 77  
CYS CB  SG   sing N N 78  
CYS CB  HB2  sing N N 79  
CYS CB  HB3  sing N N 80  
CYS SG  HG   sing N N 81  
CYS OXT HXT  sing N N 82  
GLN N   CA   sing N N 83  
GLN N   H    sing N N 84  
GLN N   H2   sing N N 85  
GLN CA  C    sing N N 86  
GLN CA  CB   sing N N 87  
GLN CA  HA   sing N N 88  
GLN C   O    doub N N 89  
GLN C   OXT  sing N N 90  
GLN CB  CG   sing N N 91  
GLN CB  HB2  sing N N 92  
GLN CB  HB3  sing N N 93  
GLN CG  CD   sing N N 94  
GLN CG  HG2  sing N N 95  
GLN CG  HG3  sing N N 96  
GLN CD  OE1  doub N N 97  
GLN CD  NE2  sing N N 98  
GLN NE2 HE21 sing N N 99  
GLN NE2 HE22 sing N N 100 
GLN OXT HXT  sing N N 101 
GLU N   CA   sing N N 102 
GLU N   H    sing N N 103 
GLU N   H2   sing N N 104 
GLU CA  C    sing N N 105 
GLU CA  CB   sing N N 106 
GLU CA  HA   sing N N 107 
GLU C   O    doub N N 108 
GLU C   OXT  sing N N 109 
GLU CB  CG   sing N N 110 
GLU CB  HB2  sing N N 111 
GLU CB  HB3  sing N N 112 
GLU CG  CD   sing N N 113 
GLU CG  HG2  sing N N 114 
GLU CG  HG3  sing N N 115 
GLU CD  OE1  doub N N 116 
GLU CD  OE2  sing N N 117 
GLU OE2 HE2  sing N N 118 
GLU OXT HXT  sing N N 119 
GLY N   CA   sing N N 120 
GLY N   H    sing N N 121 
GLY N   H2   sing N N 122 
GLY CA  C    sing N N 123 
GLY CA  HA2  sing N N 124 
GLY CA  HA3  sing N N 125 
GLY C   O    doub N N 126 
GLY C   OXT  sing N N 127 
GLY OXT HXT  sing N N 128 
GOL C1  O1   sing N N 129 
GOL C1  C2   sing N N 130 
GOL C1  H11  sing N N 131 
GOL C1  H12  sing N N 132 
GOL O1  HO1  sing N N 133 
GOL C2  O2   sing N N 134 
GOL C2  C3   sing N N 135 
GOL C2  H2   sing N N 136 
GOL O2  HO2  sing N N 137 
GOL C3  O3   sing N N 138 
GOL C3  H31  sing N N 139 
GOL C3  H32  sing N N 140 
GOL O3  HO3  sing N N 141 
HIS N   CA   sing N N 142 
HIS N   H    sing N N 143 
HIS N   H2   sing N N 144 
HIS CA  C    sing N N 145 
HIS CA  CB   sing N N 146 
HIS CA  HA   sing N N 147 
HIS C   O    doub N N 148 
HIS C   OXT  sing N N 149 
HIS CB  CG   sing N N 150 
HIS CB  HB2  sing N N 151 
HIS CB  HB3  sing N N 152 
HIS CG  ND1  sing Y N 153 
HIS CG  CD2  doub Y N 154 
HIS ND1 CE1  doub Y N 155 
HIS ND1 HD1  sing N N 156 
HIS CD2 NE2  sing Y N 157 
HIS CD2 HD2  sing N N 158 
HIS CE1 NE2  sing Y N 159 
HIS CE1 HE1  sing N N 160 
HIS NE2 HE2  sing N N 161 
HIS OXT HXT  sing N N 162 
HOH O   H1   sing N N 163 
HOH O   H2   sing N N 164 
ILE N   CA   sing N N 165 
ILE N   H    sing N N 166 
ILE N   H2   sing N N 167 
ILE CA  C    sing N N 168 
ILE CA  CB   sing N N 169 
ILE CA  HA   sing N N 170 
ILE C   O    doub N N 171 
ILE C   OXT  sing N N 172 
ILE CB  CG1  sing N N 173 
ILE CB  CG2  sing N N 174 
ILE CB  HB   sing N N 175 
ILE CG1 CD1  sing N N 176 
ILE CG1 HG12 sing N N 177 
ILE CG1 HG13 sing N N 178 
ILE CG2 HG21 sing N N 179 
ILE CG2 HG22 sing N N 180 
ILE CG2 HG23 sing N N 181 
ILE CD1 HD11 sing N N 182 
ILE CD1 HD12 sing N N 183 
ILE CD1 HD13 sing N N 184 
ILE OXT HXT  sing N N 185 
LEU N   CA   sing N N 186 
LEU N   H    sing N N 187 
LEU N   H2   sing N N 188 
LEU CA  C    sing N N 189 
LEU CA  CB   sing N N 190 
LEU CA  HA   sing N N 191 
LEU C   O    doub N N 192 
LEU C   OXT  sing N N 193 
LEU CB  CG   sing N N 194 
LEU CB  HB2  sing N N 195 
LEU CB  HB3  sing N N 196 
LEU CG  CD1  sing N N 197 
LEU CG  CD2  sing N N 198 
LEU CG  HG   sing N N 199 
LEU CD1 HD11 sing N N 200 
LEU CD1 HD12 sing N N 201 
LEU CD1 HD13 sing N N 202 
LEU CD2 HD21 sing N N 203 
LEU CD2 HD22 sing N N 204 
LEU CD2 HD23 sing N N 205 
LEU OXT HXT  sing N N 206 
LYS N   CA   sing N N 207 
LYS N   H    sing N N 208 
LYS N   H2   sing N N 209 
LYS CA  C    sing N N 210 
LYS CA  CB   sing N N 211 
LYS CA  HA   sing N N 212 
LYS C   O    doub N N 213 
LYS C   OXT  sing N N 214 
LYS CB  CG   sing N N 215 
LYS CB  HB2  sing N N 216 
LYS CB  HB3  sing N N 217 
LYS CG  CD   sing N N 218 
LYS CG  HG2  sing N N 219 
LYS CG  HG3  sing N N 220 
LYS CD  CE   sing N N 221 
LYS CD  HD2  sing N N 222 
LYS CD  HD3  sing N N 223 
LYS CE  NZ   sing N N 224 
LYS CE  HE2  sing N N 225 
LYS CE  HE3  sing N N 226 
LYS NZ  HZ1  sing N N 227 
LYS NZ  HZ2  sing N N 228 
LYS NZ  HZ3  sing N N 229 
LYS OXT HXT  sing N N 230 
MET N   CA   sing N N 231 
MET N   H    sing N N 232 
MET N   H2   sing N N 233 
MET CA  C    sing N N 234 
MET CA  CB   sing N N 235 
MET CA  HA   sing N N 236 
MET C   O    doub N N 237 
MET C   OXT  sing N N 238 
MET CB  CG   sing N N 239 
MET CB  HB2  sing N N 240 
MET CB  HB3  sing N N 241 
MET CG  SD   sing N N 242 
MET CG  HG2  sing N N 243 
MET CG  HG3  sing N N 244 
MET SD  CE   sing N N 245 
MET CE  HE1  sing N N 246 
MET CE  HE2  sing N N 247 
MET CE  HE3  sing N N 248 
MET OXT HXT  sing N N 249 
NAG C1  C2   sing N N 250 
NAG C1  O1   sing N N 251 
NAG C1  O5   sing N N 252 
NAG C1  H1   sing N N 253 
NAG C2  C3   sing N N 254 
NAG C2  N2   sing N N 255 
NAG C2  H2   sing N N 256 
NAG C3  C4   sing N N 257 
NAG C3  O3   sing N N 258 
NAG C3  H3   sing N N 259 
NAG C4  C5   sing N N 260 
NAG C4  O4   sing N N 261 
NAG C4  H4   sing N N 262 
NAG C5  C6   sing N N 263 
NAG C5  O5   sing N N 264 
NAG C5  H5   sing N N 265 
NAG C6  O6   sing N N 266 
NAG C6  H61  sing N N 267 
NAG C6  H62  sing N N 268 
NAG C7  C8   sing N N 269 
NAG C7  N2   sing N N 270 
NAG C7  O7   doub N N 271 
NAG C8  H81  sing N N 272 
NAG C8  H82  sing N N 273 
NAG C8  H83  sing N N 274 
NAG N2  HN2  sing N N 275 
NAG O1  HO1  sing N N 276 
NAG O3  HO3  sing N N 277 
NAG O4  HO4  sing N N 278 
NAG O6  HO6  sing N N 279 
PHE N   CA   sing N N 280 
PHE N   H    sing N N 281 
PHE N   H2   sing N N 282 
PHE CA  C    sing N N 283 
PHE CA  CB   sing N N 284 
PHE CA  HA   sing N N 285 
PHE C   O    doub N N 286 
PHE C   OXT  sing N N 287 
PHE CB  CG   sing N N 288 
PHE CB  HB2  sing N N 289 
PHE CB  HB3  sing N N 290 
PHE CG  CD1  doub Y N 291 
PHE CG  CD2  sing Y N 292 
PHE CD1 CE1  sing Y N 293 
PHE CD1 HD1  sing N N 294 
PHE CD2 CE2  doub Y N 295 
PHE CD2 HD2  sing N N 296 
PHE CE1 CZ   doub Y N 297 
PHE CE1 HE1  sing N N 298 
PHE CE2 CZ   sing Y N 299 
PHE CE2 HE2  sing N N 300 
PHE CZ  HZ   sing N N 301 
PHE OXT HXT  sing N N 302 
PRO N   CA   sing N N 303 
PRO N   CD   sing N N 304 
PRO N   H    sing N N 305 
PRO CA  C    sing N N 306 
PRO CA  CB   sing N N 307 
PRO CA  HA   sing N N 308 
PRO C   O    doub N N 309 
PRO C   OXT  sing N N 310 
PRO CB  CG   sing N N 311 
PRO CB  HB2  sing N N 312 
PRO CB  HB3  sing N N 313 
PRO CG  CD   sing N N 314 
PRO CG  HG2  sing N N 315 
PRO CG  HG3  sing N N 316 
PRO CD  HD2  sing N N 317 
PRO CD  HD3  sing N N 318 
PRO OXT HXT  sing N N 319 
SER N   CA   sing N N 320 
SER N   H    sing N N 321 
SER N   H2   sing N N 322 
SER CA  C    sing N N 323 
SER CA  CB   sing N N 324 
SER CA  HA   sing N N 325 
SER C   O    doub N N 326 
SER C   OXT  sing N N 327 
SER CB  OG   sing N N 328 
SER CB  HB2  sing N N 329 
SER CB  HB3  sing N N 330 
SER OG  HG   sing N N 331 
SER OXT HXT  sing N N 332 
THR N   CA   sing N N 333 
THR N   H    sing N N 334 
THR N   H2   sing N N 335 
THR CA  C    sing N N 336 
THR CA  CB   sing N N 337 
THR CA  HA   sing N N 338 
THR C   O    doub N N 339 
THR C   OXT  sing N N 340 
THR CB  OG1  sing N N 341 
THR CB  CG2  sing N N 342 
THR CB  HB   sing N N 343 
THR OG1 HG1  sing N N 344 
THR CG2 HG21 sing N N 345 
THR CG2 HG22 sing N N 346 
THR CG2 HG23 sing N N 347 
THR OXT HXT  sing N N 348 
TRP N   CA   sing N N 349 
TRP N   H    sing N N 350 
TRP N   H2   sing N N 351 
TRP CA  C    sing N N 352 
TRP CA  CB   sing N N 353 
TRP CA  HA   sing N N 354 
TRP C   O    doub N N 355 
TRP C   OXT  sing N N 356 
TRP CB  CG   sing N N 357 
TRP CB  HB2  sing N N 358 
TRP CB  HB3  sing N N 359 
TRP CG  CD1  doub Y N 360 
TRP CG  CD2  sing Y N 361 
TRP CD1 NE1  sing Y N 362 
TRP CD1 HD1  sing N N 363 
TRP CD2 CE2  doub Y N 364 
TRP CD2 CE3  sing Y N 365 
TRP NE1 CE2  sing Y N 366 
TRP NE1 HE1  sing N N 367 
TRP CE2 CZ2  sing Y N 368 
TRP CE3 CZ3  doub Y N 369 
TRP CE3 HE3  sing N N 370 
TRP CZ2 CH2  doub Y N 371 
TRP CZ2 HZ2  sing N N 372 
TRP CZ3 CH2  sing Y N 373 
TRP CZ3 HZ3  sing N N 374 
TRP CH2 HH2  sing N N 375 
TRP OXT HXT  sing N N 376 
TYR N   CA   sing N N 377 
TYR N   H    sing N N 378 
TYR N   H2   sing N N 379 
TYR CA  C    sing N N 380 
TYR CA  CB   sing N N 381 
TYR CA  HA   sing N N 382 
TYR C   O    doub N N 383 
TYR C   OXT  sing N N 384 
TYR CB  CG   sing N N 385 
TYR CB  HB2  sing N N 386 
TYR CB  HB3  sing N N 387 
TYR CG  CD1  doub Y N 388 
TYR CG  CD2  sing Y N 389 
TYR CD1 CE1  sing Y N 390 
TYR CD1 HD1  sing N N 391 
TYR CD2 CE2  doub Y N 392 
TYR CD2 HD2  sing N N 393 
TYR CE1 CZ   doub Y N 394 
TYR CE1 HE1  sing N N 395 
TYR CE2 CZ   sing Y N 396 
TYR CE2 HE2  sing N N 397 
TYR CZ  OH   sing N N 398 
TYR OH  HH   sing N N 399 
TYR OXT HXT  sing N N 400 
VAL N   CA   sing N N 401 
VAL N   H    sing N N 402 
VAL N   H2   sing N N 403 
VAL CA  C    sing N N 404 
VAL CA  CB   sing N N 405 
VAL CA  HA   sing N N 406 
VAL C   O    doub N N 407 
VAL C   OXT  sing N N 408 
VAL CB  CG1  sing N N 409 
VAL CB  CG2  sing N N 410 
VAL CB  HB   sing N N 411 
VAL CG1 HG11 sing N N 412 
VAL CG1 HG12 sing N N 413 
VAL CG1 HG13 sing N N 414 
VAL CG2 HG21 sing N N 415 
VAL CG2 HG22 sing N N 416 
VAL CG2 HG23 sing N N 417 
VAL OXT HXT  sing N N 418 
# 
_pdbx_audit_support.funding_organization   'Wellcome Trust' 
_pdbx_audit_support.country                'United Kingdom' 
_pdbx_audit_support.grant_number           223733/Z/21/Z 
_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   7z1c 
_pdbx_initial_refinement_model.details          ? 
# 
_atom_sites.entry_id                    8OWV 
_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.fract_transf_matrix[1][1]   0.017309 
_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]   0.016824 
_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]   0.006867 
_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.pdbx_scat_Z 
_atom_type.pdbx_N_electrons 
_atom_type.scat_Cromer_Mann_a1 
_atom_type.scat_Cromer_Mann_b1 
_atom_type.scat_Cromer_Mann_a2 
_atom_type.scat_Cromer_Mann_b2 
_atom_type.scat_Cromer_Mann_a3 
_atom_type.scat_Cromer_Mann_b3 
_atom_type.scat_Cromer_Mann_a4 
_atom_type.scat_Cromer_Mann_b4 
_atom_type.scat_Cromer_Mann_c 
C 6  6  2.310  20.844 1.020 10.208 1.589 0.569  0.865 51.651 0.216   
H 1  1  0.493  10.511 0.323 26.126 0.140 3.142  0.041 57.800 0.003   
N 7  7  12.222 0.006  3.135 9.893  2.014 28.997 1.167 0.583  -11.538 
O 8  8  3.049  13.277 2.287 5.701  1.546 0.324  0.867 32.909 0.251   
S 16 16 6.905  1.468  5.203 22.215 1.438 0.254  1.586 56.172 1.049   
# 
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_site.calc_flag 
_atom_site.pdbx_tls_group_id 
ATOM   1    N N   . ASN A 1 1   ? 5.853  -0.898  -58.478 1.000 88.913  0 331 ASN EEE N   1 ? 5  
ATOM   2    C CA  . ASN A 1 1   ? 6.954  -1.308  -57.550 1.000 85.567  0 331 ASN EEE CA  1 ? 5  
ATOM   3    C C   . ASN A 1 1   ? 6.692  -0.726  -56.155 1.000 82.977  0 331 ASN EEE C   1 ? 5  
ATOM   4    O O   . ASN A 1 1   ? 6.376  0.481   -56.077 1.000 81.509  0 331 ASN EEE O   1 ? 5  
ATOM   5    C CB  . ASN A 1 1   ? 8.333  -0.840  -58.032 1.000 84.570  0 331 ASN EEE CB  1 ? 5  
ATOM   6    C CG  . ASN A 1 1   ? 8.914  -1.659  -59.167 1.000 88.725  0 331 ASN EEE CG  1 ? 5  
ATOM   7    O OD1 . ASN A 1 1   ? 8.200  -2.377  -59.864 1.000 93.136  0 331 ASN EEE OD1 1 ? 5  
ATOM   8    N ND2 . ASN A 1 1   ? 10.218 -1.546  -59.366 1.000 88.102  0 331 ASN EEE ND2 1 ? 5  
ATOM   9    N N   . ILE A 1 2   ? 6.830  -1.556  -55.110 1.000 81.182  0 332 ILE EEE N   1 ? 5  
ATOM   10   C CA  . ILE A 1 2   ? 6.819  -1.167  -53.665 1.000 77.356  0 332 ILE EEE CA  1 ? 5  
ATOM   11   C C   . ILE A 1 2   ? 8.234  -1.396  -53.109 1.000 73.633  0 332 ILE EEE C   1 ? 5  
ATOM   12   O O   . ILE A 1 2   ? 8.687  -2.564  -53.113 1.000 77.736  0 332 ILE EEE O   1 ? 5  
ATOM   13   C CB  . ILE A 1 2   ? 5.750  -1.966  -52.882 1.000 78.311  0 332 ILE EEE CB  1 ? 5  
ATOM   14   C CG1 . ILE A 1 2   ? 4.331  -1.697  -53.400 1.000 81.028  0 332 ILE EEE CG1 1 ? 5  
ATOM   15   C CG2 . ILE A 1 2   ? 5.856  -1.701  -51.383 1.000 75.700  0 332 ILE EEE CG2 1 ? 5  
ATOM   16   C CD1 . ILE A 1 2   ? 3.426  -2.912  -53.384 1.000 84.238  0 332 ILE EEE CD1 1 ? 5  
ATOM   17   N N   . THR A 1 3   ? 8.910  -0.328  -52.674 1.000 68.325  0 333 THR EEE N   1 ? 5  
ATOM   18   C CA  . THR A 1 3   ? 10.236 -0.377  -51.993 1.000 66.309  0 333 THR EEE CA  1 ? 5  
ATOM   19   C C   . THR A 1 3   ? 10.043 -0.083  -50.501 1.000 61.134  0 333 THR EEE C   1 ? 5  
ATOM   20   O O   . THR A 1 3   ? 10.121 1.096   -50.110 1.000 62.529  0 333 THR EEE O   1 ? 5  
ATOM   21   C CB  . THR A 1 3   ? 11.249 0.594   -52.624 1.000 66.206  0 333 THR EEE CB  1 ? 5  
ATOM   22   O OG1 . THR A 1 3   ? 11.469 0.194   -53.977 1.000 68.999  0 333 THR EEE OG1 1 ? 5  
ATOM   23   C CG2 . THR A 1 3   ? 12.579 0.634   -51.900 1.000 63.330  0 333 THR EEE CG2 1 ? 5  
ATOM   24   N N   . ASN A 1 4   ? 9.790  -1.117  -49.701 1.000 57.707  0 334 ASN EEE N   1 ? 5  
ATOM   25   C CA  . ASN A 1 4   ? 9.758  -1.003  -48.225 1.000 53.562  0 334 ASN EEE CA  1 ? 5  
ATOM   26   C C   . ASN A 1 4   ? 11.183 -0.730  -47.757 1.000 47.543  0 334 ASN EEE C   1 ? 5  
ATOM   27   O O   . ASN A 1 4   ? 11.983 -1.674  -47.740 1.000 46.773  0 334 ASN EEE O   1 ? 5  
ATOM   28   C CB  . ASN A 1 4   ? 9.180  -2.264  -47.588 1.000 57.009  0 334 ASN EEE CB  1 ? 5  
ATOM   29   C CG  . ASN A 1 4   ? 7.719  -2.418  -47.925 1.000 61.785  0 334 ASN EEE CG  1 ? 5  
ATOM   30   O OD1 . ASN A 1 4   ? 7.002  -1.425  -48.021 1.000 67.033  0 334 ASN EEE OD1 1 ? 5  
ATOM   31   N ND2 . ASN A 1 4   ? 7.276  -3.646  -48.135 1.000 65.474  0 334 ASN EEE ND2 1 ? 5  
ATOM   32   N N   . LEU A 1 5   ? 11.506 0.525   -47.453 1.000 43.243  0 335 LEU EEE N   1 ? 5  
ATOM   33   C CA  . LEU A 1 5   ? 12.833 0.892   -46.899 1.000 39.825  0 335 LEU EEE CA  1 ? 5  
ATOM   34   C C   . LEU A 1 5   ? 12.883 0.501   -45.426 1.000 37.362  0 335 LEU EEE C   1 ? 5  
ATOM   35   O O   . LEU A 1 5   ? 11.976 0.873   -44.692 1.000 37.078  0 335 LEU EEE O   1 ? 5  
ATOM   36   C CB  . LEU A 1 5   ? 13.077 2.395   -47.059 1.000 39.008  0 335 LEU EEE CB  1 ? 5  
ATOM   37   C CG  . LEU A 1 5   ? 13.290 2.833   -48.505 1.000 40.722  0 335 LEU EEE CG  1 ? 5  
ATOM   38   C CD1 . LEU A 1 5   ? 13.050 4.327   -48.664 1.000 41.066  0 335 LEU EEE CD1 1 ? 5  
ATOM   39   C CD2 . LEU A 1 5   ? 14.681 2.445   -48.978 1.000 39.860  0 335 LEU EEE CD2 1 ? 5  
ATOM   40   N N   . CYS A 1 6   ? 13.948 -0.171  -45.012 1.000 35.954  0 336 CYS EEE N   1 ? 5  
ATOM   41   C CA  . CYS A 1 6   ? 14.189 -0.520  -43.589 1.000 35.232  0 336 CYS EEE CA  1 ? 5  
ATOM   42   C C   . CYS A 1 6   ? 14.134 0.751   -42.742 1.000 34.798  0 336 CYS EEE C   1 ? 5  
ATOM   43   O O   . CYS A 1 6   ? 14.760 1.747   -43.085 1.000 34.226  0 336 CYS EEE O   1 ? 5  
ATOM   44   C CB  . CYS A 1 6   ? 15.534 -1.213  -43.424 1.000 33.945  0 336 CYS EEE CB  1 ? 5  
ATOM   45   S SG  . CYS A 1 6   ? 15.661 -2.741  -44.393 1.000 35.509  0 336 CYS EEE SG  1 ? 5  
ATOM   46   N N   . PRO A 1 7   ? 13.413 0.745   -41.600 1.000 35.515  0 337 PRO EEE N   1 ? 5  
ATOM   47   C CA  . PRO A 1 7   ? 13.222 1.959   -40.797 1.000 35.345  0 337 PRO EEE CA  1 ? 5  
ATOM   48   C C   . PRO A 1 7   ? 14.419 2.346   -39.912 1.000 34.219  0 337 PRO EEE C   1 ? 5  
ATOM   49   O O   . PRO A 1 7   ? 14.283 2.362   -38.697 1.000 35.411  0 337 PRO EEE O   1 ? 5  
ATOM   50   C CB  . PRO A 1 7   ? 11.998 1.571   -39.948 1.000 36.803  0 337 PRO EEE CB  1 ? 5  
ATOM   51   C CG  . PRO A 1 7   ? 12.175 0.080   -39.720 1.000 36.906  0 337 PRO EEE CG  1 ? 5  
ATOM   52   C CD  . PRO A 1 7   ? 12.703 -0.424  -41.048 1.000 36.681  0 337 PRO EEE CD  1 ? 5  
ATOM   53   N N   . PHE A 1 8   ? 15.554 2.685   -40.523 1.000 33.754  0 338 PHE EEE N   1 ? 5  
ATOM   54   C CA  . PHE A 1 8   ? 16.782 3.104   -39.801 1.000 32.840  0 338 PHE EEE CA  1 ? 5  
ATOM   55   C C   . PHE A 1 8   ? 16.554 4.443   -39.082 1.000 31.832  0 338 PHE EEE C   1 ? 5  
ATOM   56   O O   . PHE A 1 8   ? 17.163 4.631   -38.034 1.000 30.106  0 338 PHE EEE O   1 ? 5  
ATOM   57   C CB  . PHE A 1 8   ? 17.988 3.170   -40.738 1.000 33.800  0 338 PHE EEE CB  1 ? 5  
ATOM   58   C CG  . PHE A 1 8   ? 18.475 1.814   -41.184 1.000 35.043  0 338 PHE EEE CG  1 ? 5  
ATOM   59   C CD1 . PHE A 1 8   ? 18.582 0.767   -40.276 1.000 35.852  0 338 PHE EEE CD1 1 ? 5  
ATOM   60   C CD2 . PHE A 1 8   ? 18.815 1.586   -42.505 1.000 37.085  0 338 PHE EEE CD2 1 ? 5  
ATOM   61   C CE1 . PHE A 1 8   ? 19.018 -0.484  -40.681 1.000 37.331  0 338 PHE EEE CE1 1 ? 5  
ATOM   62   C CE2 . PHE A 1 8   ? 19.241 0.331   -42.913 1.000 39.208  0 338 PHE EEE CE2 1 ? 5  
ATOM   63   C CZ  . PHE A 1 8   ? 19.359 -0.693  -41.995 1.000 38.419  0 338 PHE EEE CZ  1 ? 5  
ATOM   64   N N   . GLY A 1 9   ? 15.694 5.311   -39.618 1.000 32.670  0 339 GLY EEE N   1 ? 5  
ATOM   65   C CA  . GLY A 1 9   ? 15.274 6.559   -38.951 1.000 32.557  0 339 GLY EEE CA  1 ? 5  
ATOM   66   C C   . GLY A 1 9   ? 14.756 6.299   -37.549 1.000 32.194  0 339 GLY EEE C   1 ? 5  
ATOM   67   O O   . GLY A 1 9   ? 15.104 7.064   -36.607 1.000 31.129  0 339 GLY EEE O   1 ? 5  
ATOM   68   N N   . GLU A 1 10  ? 13.942 5.259   -37.380 1.000 31.995  0 340 GLU EEE N   1 ? 5  
ATOM   69   C CA  . GLU A 1 10  ? 13.295 4.979   -36.077 1.000 33.769  0 340 GLU EEE CA  1 ? 5  
ATOM   70   C C   . GLU A 1 10  ? 14.360 4.576   -35.064 1.000 31.591  0 340 GLU EEE C   1 ? 5  
ATOM   71   O O   . GLU A 1 10  ? 14.136 4.825   -33.884 1.000 33.344  0 340 GLU EEE O   1 ? 5  
ATOM   72   C CB  . GLU A 1 10  ? 12.230 3.894   -36.194 1.000 36.724  0 340 GLU EEE CB  1 ? 5  
ATOM   73   C CG  . GLU A 1 10  ? 11.067 4.293   -37.074 1.000 40.750  0 340 GLU EEE CG  1 ? 5  
ATOM   74   C CD  . GLU A 1 10  ? 10.090 3.157   -37.306 1.000 44.401  0 340 GLU EEE CD  1 ? 5  
ATOM   75   O OE1 . GLU A 1 10  ? 10.083 2.221   -36.482 1.000 46.061  0 340 GLU EEE OE1 1 ? 5  
ATOM   76   O OE2 . GLU A 1 10  ? 9.360  3.203   -38.319 1.000 48.736  0 340 GLU EEE OE2 1 ? 5  
ATOM   77   N N   . VAL A 1 11  ? 15.473 3.998   -35.520 1.000 29.848  0 341 VAL EEE N   1 ? 5  
ATOM   78   C CA  . VAL A 1 11  ? 16.602 3.557   -34.651 1.000 28.756  0 341 VAL EEE CA  1 ? 5  
ATOM   79   C C   . VAL A 1 11  ? 17.489 4.763   -34.321 1.000 27.919  0 341 VAL EEE C   1 ? 5  
ATOM   80   O O   . VAL A 1 11  ? 17.645 5.094   -33.134 1.000 27.822  0 341 VAL EEE O   1 ? 5  
ATOM   81   C CB  . VAL A 1 11  ? 17.404 2.438   -35.339 1.000 29.027  0 341 VAL EEE CB  1 ? 5  
ATOM   82   C CG1 . VAL A 1 11  ? 18.586 2.009   -34.493 1.000 28.595  0 341 VAL EEE CG1 1 ? 5  
ATOM   83   C CG2 . VAL A 1 11  ? 16.521 1.244   -35.699 1.000 30.653  0 341 VAL EEE CG2 1 ? 5  
ATOM   84   N N   . PHE A 1 12  ? 18.041 5.419   -35.339 1.000 27.656  0 342 PHE EEE N   1 ? 5  
ATOM   85   C CA  . PHE A 1 12  ? 19.082 6.462   -35.145 1.000 26.978  0 342 PHE EEE CA  1 ? 5  
ATOM   86   C C   . PHE A 1 12  ? 18.460 7.734   -34.549 1.000 28.926  0 342 PHE EEE C   1 ? 5  
ATOM   87   O O   . PHE A 1 12  ? 19.131 8.387   -33.747 1.000 28.641  0 342 PHE EEE O   1 ? 5  
ATOM   88   C CB  . PHE A 1 12  ? 19.820 6.699   -36.458 1.000 26.882  0 342 PHE EEE CB  1 ? 5  
ATOM   89   C CG  . PHE A 1 12  ? 20.810 5.622   -36.806 1.000 25.847  0 342 PHE EEE CG  1 ? 5  
ATOM   90   C CD1 . PHE A 1 12  ? 20.426 4.518   -37.546 1.000 26.396  0 342 PHE EEE CD1 1 ? 5  
ATOM   91   C CD2 . PHE A 1 12  ? 22.125 5.703   -36.389 1.000 25.314  0 342 PHE EEE CD2 1 ? 5  
ATOM   92   C CE1 . PHE A 1 12  ? 21.341 3.522   -37.851 1.000 25.919  0 342 PHE EEE CE1 1 ? 5  
ATOM   93   C CE2 . PHE A 1 12  ? 23.038 4.708   -36.692 1.000 25.198  0 342 PHE EEE CE2 1 ? 5  
ATOM   94   C CZ  . PHE A 1 12  ? 22.643 3.618   -37.423 1.000 25.306  0 342 PHE EEE CZ  1 ? 5  
ATOM   95   N N   . ASN A 1 13  ? 17.223 8.067   -34.922 1.000 30.073  0 343 ASN EEE N   1 ? 5  
ATOM   96   C CA  . ASN A 1 13  ? 16.575 9.355   -34.563 1.000 32.708  0 343 ASN EEE CA  1 ? 5  
ATOM   97   C C   . ASN A 1 13  ? 15.591 9.159   -33.416 1.000 33.155  0 343 ASN EEE C   1 ? 5  
ATOM   98   O O   . ASN A 1 13  ? 14.907 10.120  -33.118 1.000 33.897  0 343 ASN EEE O   1 ? 5  
ATOM   99   C CB  . ASN A 1 13  ? 15.877 9.976   -35.772 1.000 34.640  0 343 ASN EEE CB  1 ? 5  
ATOM   100  C CG  . ASN A 1 13  ? 16.853 10.590  -36.749 1.000 36.435  0 343 ASN EEE CG  1 ? 5  
ATOM   101  O OD1 . ASN A 1 13  ? 17.879 11.120  -36.352 1.000 35.290  0 343 ASN EEE OD1 1 ? 5  
ATOM   102  N ND2 . ASN A 1 13  ? 16.536 10.518  -38.021 1.000 42.248  0 343 ASN EEE ND2 1 ? 5  
ATOM   103  N N   . ALA A 1 14  ? 15.542 7.987   -32.764 1.000 31.948  0 344 ALA EEE N   1 ? 5  
ATOM   104  C CA  . ALA A 1 14  ? 14.651 7.784   -31.598 1.000 34.190  0 344 ALA EEE CA  1 ? 5  
ATOM   105  C C   . ALA A 1 14  ? 14.898 8.926   -30.604 1.000 35.714  0 344 ALA EEE C   1 ? 5  
ATOM   106  O O   . ALA A 1 14  ? 16.070 9.250   -30.375 1.000 34.105  0 344 ALA EEE O   1 ? 5  
ATOM   107  C CB  . ALA A 1 14  ? 14.897 6.440   -30.956 1.000 32.933  0 344 ALA EEE CB  1 ? 5  
ATOM   108  N N   . THR A 1 15  ? 13.843 9.509   -30.038 1.000 40.149  0 345 THR EEE N   1 ? 5  
ATOM   109  C CA  . THR A 1 15  ? 13.957 10.579  -29.015 1.000 44.465  0 345 THR EEE CA  1 ? 5  
ATOM   110  C C   . THR A 1 15  ? 14.568 9.993   -27.740 1.000 45.557  0 345 THR EEE C   1 ? 5  
ATOM   111  O O   . THR A 1 15  ? 15.441 10.658  -27.164 1.000 45.083  0 345 THR EEE O   1 ? 5  
ATOM   112  C CB  . THR A 1 15  ? 12.614 11.244  -28.703 1.000 49.189  0 345 THR EEE CB  1 ? 5  
ATOM   113  O OG1 . THR A 1 15  ? 12.024 11.641  -29.940 1.000 51.647  0 345 THR EEE OG1 1 ? 5  
ATOM   114  C CG2 . THR A 1 15  ? 12.772 12.444  -27.797 1.000 51.705  0 345 THR EEE CG2 1 ? 5  
ATOM   115  N N   . ARG A 1 16  ? 14.137 8.786   -27.347 1.000 46.144  0 346 ARG EEE N   1 ? 5  
ATOM   116  C CA  . ARG A 1 16  ? 14.578 8.092   -26.108 1.000 44.953  0 346 ARG EEE CA  1 ? 5  
ATOM   117  C C   . ARG A 1 16  ? 15.440 6.897   -26.512 1.000 38.696  0 346 ARG EEE C   1 ? 5  
ATOM   118  O O   . ARG A 1 16  ? 15.067 6.206   -27.468 1.000 38.712  0 346 ARG EEE O   1 ? 5  
ATOM   119  C CB  . ARG A 1 16  ? 13.361 7.656   -25.284 1.000 50.519  0 346 ARG EEE CB  1 ? 5  
ATOM   120  C CG  . ARG A 1 16  ? 12.579 8.811   -24.672 1.000 59.134  0 346 ARG EEE CG  1 ? 5  
ATOM   121  C CD  . ARG A 1 16  ? 11.519 8.358   -23.682 1.000 65.909  0 346 ARG EEE CD  1 ? 5  
ATOM   122  N NE  . ARG A 1 16  ? 12.090 7.530   -22.624 1.000 70.388  0 346 ARG EEE NE  1 ? 5  
ATOM   123  C CZ  . ARG A 1 16  ? 11.396 6.930   -21.660 1.000 76.306  0 346 ARG EEE CZ  1 ? 5  
ATOM   124  N NH1 . ARG A 1 16  ? 10.080 7.058   -21.598 1.000 80.340  0 346 ARG EEE NH1 1 ? 5  
ATOM   125  N NH2 . ARG A 1 16  ? 12.026 6.200   -20.754 1.000 77.078  0 346 ARG EEE NH2 1 ? 5  
ATOM   126  N N   . PHE A 1 17  ? 16.587 6.710   -25.858 1.000 35.201  0 347 PHE EEE N   1 ? 5  
ATOM   127  C CA  . PHE A 1 17  ? 17.418 5.486   -25.967 1.000 32.320  0 347 PHE EEE CA  1 ? 5  
ATOM   128  C C   . PHE A 1 17  ? 17.321 4.705   -24.655 1.000 31.888  0 347 PHE EEE C   1 ? 5  
ATOM   129  O O   . PHE A 1 17  ? 17.101 5.321   -23.614 1.000 31.906  0 347 PHE EEE O   1 ? 5  
ATOM   130  C CB  . PHE A 1 17  ? 18.866 5.834   -26.304 1.000 31.565  0 347 PHE EEE CB  1 ? 5  
ATOM   131  C CG  . PHE A 1 17  ? 19.147 5.894   -27.782 1.000 30.764  0 347 PHE EEE CG  1 ? 5  
ATOM   132  C CD1 . PHE A 1 17  ? 18.357 6.666   -28.622 1.000 32.302  0 347 PHE EEE CD1 1 ? 5  
ATOM   133  C CD2 . PHE A 1 17  ? 20.181 5.157   -28.335 1.000 29.123  0 347 PHE EEE CD2 1 ? 5  
ATOM   134  C CE1 . PHE A 1 17  ? 18.593 6.680   -29.992 1.000 31.510  0 347 PHE EEE CE1 1 ? 5  
ATOM   135  C CE2 . PHE A 1 17  ? 20.438 5.202   -29.699 1.000 28.983  0 347 PHE EEE CE2 1 ? 5  
ATOM   136  C CZ  . PHE A 1 17  ? 19.638 5.961   -30.521 1.000 30.026  0 347 PHE EEE CZ  1 ? 5  
ATOM   137  N N   . ALA A 1 18  ? 17.495 3.384   -24.732 1.000 30.602  0 348 ALA EEE N   1 ? 5  
ATOM   138  C CA  . ALA A 1 18  ? 17.476 2.468   -23.568 1.000 30.685  0 348 ALA EEE CA  1 ? 5  
ATOM   139  C C   . ALA A 1 18  ? 18.732 2.658   -22.704 1.000 29.681  0 348 ALA EEE C   1 ? 5  
ATOM   140  O O   . ALA A 1 18  ? 19.812 2.990   -23.246 1.000 27.718  0 348 ALA EEE O   1 ? 5  
ATOM   141  C CB  . ALA A 1 18  ? 17.399 1.048   -24.069 1.000 29.895  0 348 ALA EEE CB  1 ? 5  
ATOM   142  N N   . SER A 1 19  ? 18.600 2.396   -21.404 1.000 30.659  0 349 SER EEE N   1 ? 5  
ATOM   143  C CA  . SER A 1 19  ? 19.733 2.021   -20.520 1.000 29.994  0 349 SER EEE CA  1 ? 5  
ATOM   144  C C   . SER A 1 19  ? 20.358 0.752   -21.091 1.000 28.223  0 349 SER EEE C   1 ? 5  
ATOM   145  O O   . SER A 1 19  ? 19.594 -0.143  -21.526 1.000 28.991  0 349 SER EEE O   1 ? 5  
ATOM   146  C CB  . SER A 1 19  ? 19.307 1.808   -19.088 1.000 31.454  0 349 SER EEE CB  1 ? 5  
ATOM   147  O OG  . SER A 1 19  ? 19.017 3.033   -18.465 1.000 33.218  0 349 SER EEE OG  1 ? 5  
ATOM   148  N N   . VAL A 1 20  ? 21.684 0.682   -21.080 1.000 26.463  0 350 VAL EEE N   1 ? 5  
ATOM   149  C CA  . VAL A 1 20  ? 22.451 -0.453  -21.658 1.000 25.338  0 350 VAL EEE CA  1 ? 5  
ATOM   150  C C   . VAL A 1 20  ? 22.017 -1.791  -21.023 1.000 25.931  0 350 VAL EEE C   1 ? 5  
ATOM   151  O O   . VAL A 1 20  ? 21.986 -2.802  -21.776 1.000 25.458  0 350 VAL EEE O   1 ? 5  
ATOM   152  C CB  . VAL A 1 20  ? 23.961 -0.196  -21.527 1.000 24.721  0 350 VAL EEE CB  1 ? 5  
ATOM   153  C CG1 . VAL A 1 20  ? 24.412 -0.052  -20.074 1.000 25.326  0 350 VAL EEE CG1 1 ? 5  
ATOM   154  C CG2 . VAL A 1 20  ? 24.766 -1.255  -22.268 1.000 23.939  0 350 VAL EEE CG2 1 ? 5  
ATOM   155  N N   . TYR A 1 21  ? 21.700 -1.836  -19.727 1.000 27.361  0 351 TYR EEE N   1 ? 5  
ATOM   156  C CA  . TYR A 1 21  ? 21.326 -3.094  -19.030 1.000 28.526  0 351 TYR EEE CA  1 ? 5  
ATOM   157  C C   . TYR A 1 21  ? 20.008 -3.598  -19.630 1.000 30.159  0 351 TYR EEE C   1 ? 5  
ATOM   158  O O   . TYR A 1 21  ? 19.806 -4.836  -19.737 1.000 30.538  0 351 TYR EEE O   1 ? 5  
ATOM   159  C CB  . TYR A 1 21  ? 21.223 -2.907  -17.509 1.000 30.267  0 351 TYR EEE CB  1 ? 5  
ATOM   160  C CG  . TYR A 1 21  ? 19.879 -2.416  -17.043 1.000 31.733  0 351 TYR EEE CG  1 ? 5  
ATOM   161  C CD1 . TYR A 1 21  ? 18.838 -3.302  -16.837 1.000 32.852  0 351 TYR EEE CD1 1 ? 5  
ATOM   162  C CD2 . TYR A 1 21  ? 19.636 -1.066  -16.839 1.000 32.592  0 351 TYR EEE CD2 1 ? 5  
ATOM   163  C CE1 . TYR A 1 21  ? 17.582 -2.869  -16.461 1.000 35.054  0 351 TYR EEE CE1 1 ? 5  
ATOM   164  C CE2 . TYR A 1 21  ? 18.385 -0.617  -16.453 1.000 34.646  0 351 TYR EEE CE2 1 ? 5  
ATOM   165  C CZ  . TYR A 1 21  ? 17.358 -1.522  -16.258 1.000 36.166  0 351 TYR EEE CZ  1 ? 5  
ATOM   166  O OH  . TYR A 1 21  ? 16.122 -1.103  -15.864 1.000 39.391  0 351 TYR EEE OH  1 ? 5  
ATOM   167  N N   . ALA A 1 22  ? 19.134 -2.669  -20.028 1.000 30.678  0 352 ALA EEE N   1 ? 5  
ATOM   168  C CA  . ALA A 1 22  ? 17.820 -2.974  -20.633 1.000 31.946  0 352 ALA EEE CA  1 ? 5  
ATOM   169  C C   . ALA A 1 22  ? 17.875 -2.639  -22.129 1.000 31.057  0 352 ALA EEE C   1 ? 5  
ATOM   170  O O   . ALA A 1 22  ? 16.870 -2.143  -22.646 1.000 32.500  0 352 ALA EEE O   1 ? 5  
ATOM   171  C CB  . ALA A 1 22  ? 16.725 -2.223  -19.920 1.000 34.119  0 352 ALA EEE CB  1 ? 5  
ATOM   172  N N   . TRP A 1 23  ? 18.990 -2.947  -22.793 1.000 29.608  0 353 TRP EEE N   1 ? 5  
ATOM   173  C CA  . TRP A 1 23  ? 19.262 -2.576  -24.209 1.000 29.061  0 353 TRP EEE CA  1 ? 5  
ATOM   174  C C   . TRP A 1 23  ? 18.091 -2.969  -25.114 1.000 30.343  0 353 TRP EEE C   1 ? 5  
ATOM   175  O O   . TRP A 1 23  ? 17.457 -4.023  -24.906 1.000 29.547  0 353 TRP EEE O   1 ? 5  
ATOM   176  C CB  . TRP A 1 23  ? 20.577 -3.155  -24.733 1.000 28.292  0 353 TRP EEE CB  1 ? 5  
ATOM   177  C CG  . TRP A 1 23  ? 20.755 -4.641  -24.595 1.000 28.205  0 353 TRP EEE CG  1 ? 5  
ATOM   178  C CD1 . TRP A 1 23  ? 21.324 -5.293  -23.535 1.000 28.830  0 353 TRP EEE CD1 1 ? 5  
ATOM   179  C CD2 . TRP A 1 23  ? 20.486 -5.655  -25.583 1.000 28.521  0 353 TRP EEE CD2 1 ? 5  
ATOM   180  N NE1 . TRP A 1 23  ? 21.397 -6.643  -23.779 1.000 28.964  0 353 TRP EEE NE1 1 ? 5  
ATOM   181  C CE2 . TRP A 1 23  ? 20.873 -6.897  -25.018 1.000 29.083  0 353 TRP EEE CE2 1 ? 5  
ATOM   182  C CE3 . TRP A 1 23  ? 19.917 -5.653  -26.863 1.000 28.633  0 353 TRP EEE CE3 1 ? 5  
ATOM   183  C CZ2 . TRP A 1 23  ? 20.731 -8.102  -25.700 1.000 29.904  0 353 TRP EEE CZ2 1 ? 5  
ATOM   184  C CZ3 . TRP A 1 23  ? 19.795 -6.846  -27.541 1.000 29.296  0 353 TRP EEE CZ3 1 ? 5  
ATOM   185  C CH2 . TRP A 1 23  ? 20.187 -8.055  -26.963 1.000 30.312  0 353 TRP EEE CH2 1 ? 5  
ATOM   186  N N   . ASN A 1 24  ? 17.783 -2.092  -26.061 1.000 29.336  0 354 ASN EEE N   1 ? 5  
ATOM   187  C CA  . ASN A 1 24  ? 16.616 -2.225  -26.955 1.000 30.002  0 354 ASN EEE CA  1 ? 5  
ATOM   188  C C   . ASN A 1 24  ? 17.020 -3.053  -28.175 1.000 28.580  0 354 ASN EEE C   1 ? 5  
ATOM   189  O O   . ASN A 1 24  ? 18.148 -2.888  -28.627 1.000 27.329  0 354 ASN EEE O   1 ? 5  
ATOM   190  C CB  . ASN A 1 24  ? 16.136 -0.845  -27.382 1.000 31.576  0 354 ASN EEE CB  1 ? 5  
ATOM   191  C CG  . ASN A 1 24  ? 14.832 -0.948  -28.126 1.000 34.467  0 354 ASN EEE CG  1 ? 5  
ATOM   192  O OD1 . ASN A 1 24  ? 13.779 -1.054  -27.498 1.000 37.788  0 354 ASN EEE OD1 1 ? 5  
ATOM   193  N ND2 . ASN A 1 24  ? 14.908 -0.953  -29.450 1.000 35.031  0 354 ASN EEE ND2 1 ? 5  
ATOM   194  N N   . ARG A 1 25  ? 16.143 -3.930  -28.662 1.000 29.803  0 355 ARG EEE N   1 ? 5  
ATOM   195  C CA  . ARG A 1 25  ? 16.355 -4.687  -29.927 1.000 29.445  0 355 ARG EEE CA  1 ? 5  
ATOM   196  C C   . ARG A 1 25  ? 15.172 -4.441  -30.863 1.000 30.172  0 355 ARG EEE C   1 ? 5  
ATOM   197  O O   . ARG A 1 25  ? 14.030 -4.639  -30.444 1.000 30.725  0 355 ARG EEE O   1 ? 5  
ATOM   198  C CB  . ARG A 1 25  ? 16.541 -6.186  -29.673 1.000 30.863  0 355 ARG EEE CB  1 ? 5  
ATOM   199  C CG  . ARG A 1 25  ? 16.450 -7.032  -30.936 1.000 31.579  0 355 ARG EEE CG  1 ? 5  
ATOM   200  C CD  . ARG A 1 25  ? 17.128 -8.377  -30.787 1.000 32.508  0 355 ARG EEE CD  1 ? 5  
ATOM   201  N NE  . ARG A 1 25  ? 18.573 -8.228  -30.832 1.000 30.916  0 355 ARG EEE NE  1 ? 5  
ATOM   202  C CZ  . ARG A 1 25  ? 19.434 -9.231  -30.913 1.000 31.716  0 355 ARG EEE CZ  1 ? 5  
ATOM   203  N NH1 . ARG A 1 25  ? 18.997 -10.476 -30.918 1.000 34.405  0 355 ARG EEE NH1 1 ? 5  
ATOM   204  N NH2 . ARG A 1 25  ? 20.732 -8.997  -30.976 1.000 30.541  0 355 ARG EEE NH2 1 ? 5  
ATOM   205  N N   . LYS A 1 26  ? 15.468 -3.990  -32.083 1.000 30.454  0 356 LYS EEE N   1 ? 5  
ATOM   206  C CA  . LYS A 1 26  ? 14.491 -3.816  -33.183 1.000 32.804  0 356 LYS EEE CA  1 ? 5  
ATOM   207  C C   . LYS A 1 26  ? 14.864 -4.766  -34.317 1.000 32.763  0 356 LYS EEE C   1 ? 5  
ATOM   208  O O   . LYS A 1 26  ? 16.004 -4.672  -34.819 1.000 30.511  0 356 LYS EEE O   1 ? 5  
ATOM   209  C CB  . LYS A 1 26  ? 14.503 -2.387  -33.734 1.000 33.508  0 356 LYS EEE CB  1 ? 5  
ATOM   210  C CG  . LYS A 1 26  ? 13.437 -2.129  -34.789 1.000 36.973  0 356 LYS EEE CG  1 ? 5  
ATOM   211  C CD  . LYS A 1 26  ? 13.280 -0.659  -35.130 1.000 40.194  0 356 LYS EEE CD  1 ? 5  
ATOM   212  C CE  . LYS A 1 26  ? 12.068 -0.359  -35.984 1.000 43.826  0 356 LYS EEE CE  1 ? 5  
ATOM   213  N NZ  . LYS A 1 26  ? 10.880 -1.138  -35.561 1.000 48.791  0 356 LYS EEE NZ  1 ? 5  
ATOM   214  N N   . ARG A 1 27  ? 13.941 -5.641  -34.694 1.000 35.655  0 357 ARG EEE N   1 ? 5  
ATOM   215  C CA  . ARG A 1 27  ? 14.136 -6.552  -35.845 1.000 37.897  0 357 ARG EEE CA  1 ? 5  
ATOM   216  C C   . ARG A 1 27  ? 14.036 -5.710  -37.118 1.000 37.746  0 357 ARG EEE C   1 ? 5  
ATOM   217  O O   . ARG A 1 27  ? 13.125 -4.873  -37.198 1.000 36.940  0 357 ARG EEE O   1 ? 5  
ATOM   218  C CB  . ARG A 1 27  ? 13.111 -7.684  -35.855 1.000 41.564  0 357 ARG EEE CB  1 ? 5  
ATOM   219  C CG  . ARG A 1 27  ? 13.214 -8.549  -37.102 1.000 45.095  0 357 ARG EEE CG  1 ? 5  
ATOM   220  C CD  . ARG A 1 27  ? 12.075 -9.525  -37.164 1.000 50.562  0 357 ARG EEE CD  1 ? 5  
ATOM   221  N NE  . ARG A 1 27  ? 12.269 -10.568 -36.180 1.000 54.697  0 357 ARG EEE NE  1 ? 5  
ATOM   222  C CZ  . ARG A 1 27  ? 12.955 -11.695 -36.388 1.000 60.597  0 357 ARG EEE CZ  1 ? 5  
ATOM   223  N NH1 . ARG A 1 27  ? 13.554 -11.921 -37.550 1.000 61.475  0 357 ARG EEE NH1 1 ? 5  
ATOM   224  N NH2 . ARG A 1 27  ? 13.028 -12.604 -35.427 1.000 62.210  0 357 ARG EEE NH2 1 ? 5  
ATOM   225  N N   . ILE A 1 28  ? 14.968 -5.915  -38.048 1.000 30.582  0 358 ILE EEE N   1 ? 6  
ATOM   226  C CA  . ILE A 1 28  ? 14.959 -5.282  -39.399 1.000 30.669  0 358 ILE EEE CA  1 ? 6  
ATOM   227  C C   . ILE A 1 28  ? 14.827 -6.422  -40.407 1.000 31.853  0 358 ILE EEE C   1 ? 6  
ATOM   228  O O   . ILE A 1 28  ? 15.774 -7.206  -40.522 1.000 32.107  0 358 ILE EEE O   1 ? 6  
ATOM   229  C CB  . ILE A 1 28  ? 16.217 -4.434  -39.647 1.000 29.723  0 358 ILE EEE CB  1 ? 6  
ATOM   230  C CG1 . ILE A 1 28  ? 16.376 -3.304  -38.622 1.000 30.087  0 358 ILE EEE CG1 1 ? 6  
ATOM   231  C CG2 . ILE A 1 28  ? 16.215 -3.896  -41.063 1.000 29.191  0 358 ILE EEE CG2 1 ? 6  
ATOM   232  C CD1 . ILE A 1 28  ? 15.365 -2.215  -38.774 1.000 30.894  0 358 ILE EEE CD1 1 ? 6  
ATOM   233  N N   . SER A 1 29  ? 13.687 -6.539  -41.078 1.000 34.015  0 359 SER EEE N   1 ? 6  
ATOM   234  C CA  . SER A 1 29  ? 13.455 -7.658  -42.029 1.000 35.791  0 359 SER EEE CA  1 ? 6  
ATOM   235  C C   . SER A 1 29  ? 12.463 -7.262  -43.125 1.000 35.447  0 359 SER EEE C   1 ? 6  
ATOM   236  O O   . SER A 1 29  ? 11.701 -6.300  -42.926 1.000 34.323  0 359 SER EEE O   1 ? 6  
ATOM   237  C CB  . SER A 1 29  ? 13.027 -8.890  -41.289 1.000 38.531  0 359 SER EEE CB  1 ? 6  
ATOM   238  O OG  . SER A 1 29  ? 11.803 -8.653  -40.628 1.000 44.094  0 359 SER EEE OG  1 ? 6  
ATOM   239  N N   . ASN A 1 30  ? 12.506 -8.000  -44.238 1.000 35.639  0 360 ASN EEE N   1 ? 6  
ATOM   240  C CA  . ASN A 1 30  ? 11.600 -7.849  -45.405 1.000 36.920  0 360 ASN EEE CA  1 ? 6  
ATOM   241  C C   . ASN A 1 30  ? 11.614 -6.375  -45.813 1.000 35.677  0 360 ASN EEE C   1 ? 6  
ATOM   242  O O   . ASN A 1 30  ? 10.552 -5.754  -45.894 1.000 37.067  0 360 ASN EEE O   1 ? 6  
ATOM   243  C CB  . ASN A 1 30  ? 10.214 -8.400  -45.085 1.000 39.896  0 360 ASN EEE CB  1 ? 6  
ATOM   244  C CG  . ASN A 1 30  ? 10.281 -9.854  -44.662 1.000 42.912  0 360 ASN EEE CG  1 ? 6  
ATOM   245  O OD1 . ASN A 1 30  ? 10.718 -10.713 -45.432 1.000 42.458  0 360 ASN EEE OD1 1 ? 6  
ATOM   246  N ND2 . ASN A 1 30  ? 9.887  -10.142 -43.429 1.000 44.161  0 360 ASN EEE ND2 1 ? 6  
ATOM   247  N N   . CYS A 1 31  ? 12.798 -5.823  -46.034 1.000 33.524  0 361 CYS EEE N   1 ? 6  
ATOM   248  C CA  . CYS A 1 31  ? 12.935 -4.391  -46.391 1.000 34.129  0 361 CYS EEE CA  1 ? 6  
ATOM   249  C C   . CYS A 1 31  ? 14.244 -4.169  -47.143 1.000 32.550  0 361 CYS EEE C   1 ? 6  
ATOM   250  O O   . CYS A 1 31  ? 15.107 -5.052  -47.128 1.000 31.784  0 361 CYS EEE O   1 ? 6  
ATOM   251  C CB  . CYS A 1 31  ? 12.810 -3.510  -45.150 1.000 33.082  0 361 CYS EEE CB  1 ? 6  
ATOM   252  S SG  . CYS A 1 31  ? 14.019 -3.876  -43.853 1.000 31.445  0 361 CYS EEE SG  1 ? 6  
ATOM   253  N N   . VAL A 1 32  ? 14.312 -3.052  -47.858 1.000 33.381  0 362 VAL EEE N   1 ? 6  
ATOM   254  C CA  . VAL A 1 32  ? 15.526 -2.557  -48.559 1.000 32.788  0 362 VAL EEE CA  1 ? 6  
ATOM   255  C C   . VAL A 1 32  ? 16.309 -1.708  -47.572 1.000 30.664  0 362 VAL EEE C   1 ? 6  
ATOM   256  O O   . VAL A 1 32  ? 15.762 -0.700  -47.088 1.000 31.196  0 362 VAL EEE O   1 ? 6  
ATOM   257  C CB  . VAL A 1 32  ? 15.137 -1.747  -49.807 1.000 35.295  0 362 VAL EEE CB  1 ? 6  
ATOM   258  C CG1 . VAL A 1 32  ? 16.362 -1.139  -50.472 1.000 35.427  0 362 VAL EEE CG1 1 ? 6  
ATOM   259  C CG2 . VAL A 1 32  ? 14.335 -2.601  -50.777 1.000 37.511  0 362 VAL EEE CG2 1 ? 6  
ATOM   260  N N   . ALA A 1 33  ? 17.547 -2.088  -47.291 1.000 29.844  0 363 ALA EEE N   1 ? 6  
ATOM   261  C CA  . ALA A 1 33  ? 18.454 -1.371  -46.373 1.000 29.277  0 363 ALA EEE CA  1 ? 6  
ATOM   262  C C   . ALA A 1 33  ? 19.273 -0.372  -47.192 1.000 30.401  0 363 ALA EEE C   1 ? 6  
ATOM   263  O O   . ALA A 1 33  ? 20.113 -0.820  -47.994 1.000 28.798  0 363 ALA EEE O   1 ? 6  
ATOM   264  C CB  . ALA A 1 33  ? 19.326 -2.357  -45.636 1.000 29.495  0 363 ALA EEE CB  1 ? 6  
ATOM   265  N N   . ASP A 1 34  ? 18.992 0.933   -47.046 1.000 29.822  0 364 ASP EEE N   1 ? 6  
ATOM   266  C CA  . ASP A 1 34  ? 19.738 1.992   -47.778 1.000 29.973  0 364 ASP EEE CA  1 ? 6  
ATOM   267  C C   . ASP A 1 34  ? 20.584 2.762   -46.766 1.000 30.188  0 364 ASP EEE C   1 ? 6  
ATOM   268  O O   . ASP A 1 34  ? 20.042 3.613   -46.033 1.000 30.572  0 364 ASP EEE O   1 ? 6  
ATOM   269  C CB  . ASP A 1 34  ? 18.822 2.895   -48.600 1.000 32.192  0 364 ASP EEE CB  1 ? 6  
ATOM   270  C CG  . ASP A 1 34  ? 19.599 3.906   -49.425 1.000 33.159  0 364 ASP EEE CG  1 ? 6  
ATOM   271  O OD1 . ASP A 1 34  ? 20.850 3.944   -49.324 1.000 30.104  0 364 ASP EEE OD1 1 ? 6  
ATOM   272  O OD2 . ASP A 1 34  ? 18.947 4.668   -50.141 1.000 37.704  0 364 ASP EEE OD2 1 ? 6  
ATOM   273  N N   . TYR A 1 35  ? 21.868 2.430   -46.700 1.000 30.177  0 365 TYR EEE N   1 ? 6  
ATOM   274  C CA  . TYR A 1 35  ? 22.817 3.003   -45.723 1.000 30.631  0 365 TYR EEE CA  1 ? 6  
ATOM   275  C C   . TYR A 1 35  ? 23.321 4.360   -46.207 1.000 32.447  0 365 TYR EEE C   1 ? 6  
ATOM   276  O O   . TYR A 1 35  ? 23.968 5.042   -45.375 1.000 30.585  0 365 TYR EEE O   1 ? 6  
ATOM   277  C CB  . TYR A 1 35  ? 23.946 2.021   -45.450 1.000 31.254  0 365 TYR EEE CB  1 ? 6  
ATOM   278  C CG  . TYR A 1 35  ? 23.472 0.807   -44.695 1.000 31.732  0 365 TYR EEE CG  1 ? 6  
ATOM   279  C CD1 . TYR A 1 35  ? 23.274 0.860   -43.328 1.000 33.007  0 365 TYR EEE CD1 1 ? 6  
ATOM   280  C CD2 . TYR A 1 35  ? 23.194 -0.387  -45.348 1.000 31.772  0 365 TYR EEE CD2 1 ? 6  
ATOM   281  C CE1 . TYR A 1 35  ? 22.825 -0.240  -42.619 1.000 32.462  0 365 TYR EEE CE1 1 ? 6  
ATOM   282  C CE2 . TYR A 1 35  ? 22.756 -1.502  -44.651 1.000 33.045  0 365 TYR EEE CE2 1 ? 6  
ATOM   283  C CZ  . TYR A 1 35  ? 22.585 -1.435  -43.278 1.000 32.665  0 365 TYR EEE CZ  1 ? 6  
ATOM   284  O OH  . TYR A 1 35  ? 22.122 -2.508  -42.570 1.000 29.617  0 365 TYR EEE OH  1 ? 6  
ATOM   285  N N   . SER A 1 36  ? 22.997 4.761   -47.446 1.000 31.548  0 366 SER EEE N   1 ? 6  
ATOM   286  C CA  . SER A 1 36  ? 23.523 6.015   -48.049 1.000 33.229  0 366 SER EEE CA  1 ? 6  
ATOM   287  C C   . SER A 1 36  ? 23.050 7.202   -47.208 1.000 34.525  0 366 SER EEE C   1 ? 6  
ATOM   288  O O   . SER A 1 36  ? 23.700 8.253   -47.265 1.000 34.197  0 366 SER EEE O   1 ? 6  
ATOM   289  C CB  . SER A 1 36  ? 23.189 6.181   -49.535 1.000 33.619  0 366 SER EEE CB  1 ? 6  
ATOM   290  O OG  . SER A 1 36  ? 21.800 6.327   -49.763 1.000 32.863  0 366 SER EEE OG  1 ? 6  
ATOM   291  N N   . VAL A 1 37  ? 21.994 7.004   -46.415 1.000 34.305  0 367 VAL EEE N   1 ? 6  
ATOM   292  C CA  . VAL A 1 37  ? 21.449 8.004   -45.455 1.000 34.340  0 367 VAL EEE CA  1 ? 6  
ATOM   293  C C   . VAL A 1 37  ? 22.545 8.408   -44.460 1.000 34.375  0 367 VAL EEE C   1 ? 6  
ATOM   294  O O   . VAL A 1 37  ? 22.461 9.541   -43.963 1.000 35.077  0 367 VAL EEE O   1 ? 6  
ATOM   295  C CB  . VAL A 1 37  ? 20.191 7.448   -44.751 1.000 35.552  0 367 VAL EEE CB  1 ? 6  
ATOM   296  C CG1 . VAL A 1 37  ? 20.511 6.343   -43.755 1.000 34.900  0 367 VAL EEE CG1 1 ? 6  
ATOM   297  C CG2 . VAL A 1 37  ? 19.396 8.528   -44.070 1.000 39.231  0 367 VAL EEE CG2 1 ? 6  
ATOM   298  N N   . LEU A 1 38  ? 23.520 7.539   -44.155 1.000 33.421  0 368 LEU EEE N   1 ? 6  
ATOM   299  C CA  . LEU A 1 38  ? 24.611 7.827   -43.175 1.000 32.978  0 368 LEU EEE CA  1 ? 6  
ATOM   300  C C   . LEU A 1 38  ? 25.856 8.435   -43.840 1.000 34.973  0 368 LEU EEE C   1 ? 6  
ATOM   301  O O   . LEU A 1 38  ? 26.720 8.931   -43.084 1.000 33.806  0 368 LEU EEE O   1 ? 6  
ATOM   302  C CB  . LEU A 1 38  ? 24.999 6.548   -42.430 1.000 32.011  0 368 LEU EEE CB  1 ? 6  
ATOM   303  C CG  . LEU A 1 38  ? 23.850 5.792   -41.765 1.000 33.448  0 368 LEU EEE CG  1 ? 6  
ATOM   304  C CD1 . LEU A 1 38  ? 24.332 4.473   -41.186 1.000 33.782  0 368 LEU EEE CD1 1 ? 6  
ATOM   305  C CD2 . LEU A 1 38  ? 23.185 6.636   -40.684 1.000 34.995  0 368 LEU EEE CD2 1 ? 6  
ATOM   306  N N   . TYR A 1 39  ? 25.978 8.408   -45.175 1.000 37.374  0 369 TYR EEE N   1 ? 6  
ATOM   307  C CA  . TYR A 1 39  ? 27.263 8.679   -45.883 1.000 36.911  0 369 TYR EEE CA  1 ? 6  
ATOM   308  C C   . TYR A 1 39  ? 27.788 10.081  -45.578 1.000 35.824  0 369 TYR EEE C   1 ? 6  
ATOM   309  O O   . TYR A 1 39  ? 29.028 10.210  -45.443 1.000 35.845  0 369 TYR EEE O   1 ? 6  
ATOM   310  C CB  . TYR A 1 39  ? 27.143 8.543   -47.403 1.000 39.191  0 369 TYR EEE CB  1 ? 6  
ATOM   311  C CG  . TYR A 1 39  ? 27.022 7.121   -47.898 1.000 41.081  0 369 TYR EEE CG  1 ? 6  
ATOM   312  C CD1 . TYR A 1 39  ? 27.141 6.038   -47.037 1.000 41.202  0 369 TYR EEE CD1 1 ? 6  
ATOM   313  C CD2 . TYR A 1 39  ? 26.815 6.862   -49.242 1.000 45.226  0 369 TYR EEE CD2 1 ? 6  
ATOM   314  C CE1 . TYR A 1 39  ? 27.040 4.736   -47.501 1.000 42.955  0 369 TYR EEE CE1 1 ? 6  
ATOM   315  C CE2 . TYR A 1 39  ? 26.705 5.567   -49.719 1.000 49.545  0 369 TYR EEE CE2 1 ? 6  
ATOM   316  C CZ  . TYR A 1 39  ? 26.821 4.502   -48.844 1.000 44.822  0 369 TYR EEE CZ  1 ? 6  
ATOM   317  O OH  . TYR A 1 39  ? 26.701 3.232   -49.326 1.000 52.553  0 369 TYR EEE OH  1 ? 6  
ATOM   318  N N   . ASN A 1 40  ? 26.890 11.075  -45.556 1.000 33.875  0 370 ASN EEE N   1 ? 6  
ATOM   319  C CA  . ASN A 1 40  ? 27.218 12.512  -45.372 1.000 33.946  0 370 ASN EEE CA  1 ? 6  
ATOM   320  C C   . ASN A 1 40  ? 27.204 12.901  -43.888 1.000 31.574  0 370 ASN EEE C   1 ? 6  
ATOM   321  O O   . ASN A 1 40  ? 27.172 14.117  -43.615 1.000 30.011  0 370 ASN EEE O   1 ? 6  
ATOM   322  C CB  . ASN A 1 40  ? 26.251 13.409  -46.147 1.000 36.871  0 370 ASN EEE CB  1 ? 6  
ATOM   323  C CG  . ASN A 1 40  ? 26.646 13.576  -47.598 1.000 39.043  0 370 ASN EEE CG  1 ? 6  
ATOM   324  O OD1 . ASN A 1 40  ? 27.707 13.120  -48.018 1.000 41.429  0 370 ASN EEE OD1 1 ? 6  
ATOM   325  N ND2 . ASN A 1 40  ? 25.796 14.212  -48.373 1.000 41.371  0 370 ASN EEE ND2 1 ? 6  
ATOM   326  N N   . SER A 1 41  ? 27.261 11.931  -42.970 1.000 28.414  0 371 SER EEE N   1 ? 6  
ATOM   327  C CA  . SER A 1 41  ? 27.387 12.175  -41.509 1.000 27.973  0 371 SER EEE CA  1 ? 6  
ATOM   328  C C   . SER A 1 41  ? 28.859 12.102  -41.089 1.000 26.626  0 371 SER EEE C   1 ? 6  
ATOM   329  O O   . SER A 1 41  ? 29.617 11.293  -41.674 1.000 26.265  0 371 SER EEE O   1 ? 6  
ATOM   330  C CB  . SER A 1 41  ? 26.531 11.224  -40.739 1.000 27.431  0 371 SER EEE CB  1 ? 6  
ATOM   331  O OG  . SER A 1 41  ? 25.165 11.529  -40.973 1.000 29.486  0 371 SER EEE OG  1 ? 6  
ATOM   332  N N   . ALA A 1 42  ? 29.270 12.936  -40.132 1.000 25.741  0 372 ALA EEE N   1 ? 6  
ATOM   333  C CA  . ALA A 1 42  ? 30.684 13.034  -39.710 1.000 26.055  0 372 ALA EEE CA  1 ? 6  
ATOM   334  C C   . ALA A 1 42  ? 30.828 13.095  -38.186 1.000 25.726  0 372 ALA EEE C   1 ? 6  
ATOM   335  O O   . ALA A 1 42  ? 31.989 12.978  -37.730 1.000 26.560  0 372 ALA EEE O   1 ? 6  
ATOM   336  C CB  . ALA A 1 42  ? 31.343 14.221  -40.379 1.000 28.090  0 372 ALA EEE CB  1 ? 6  
ATOM   337  N N   . SER A 1 43  ? 29.732 13.193  -37.422 1.000 24.453  0 373 SER EEE N   1 ? 6  
ATOM   338  C CA  . SER A 1 43  ? 29.785 13.310  -35.946 1.000 24.616  0 373 SER EEE CA  1 ? 6  
ATOM   339  C C   . SER A 1 43  ? 29.641 11.938  -35.261 1.000 23.109  0 373 SER EEE C   1 ? 6  
ATOM   340  O O   . SER A 1 43  ? 29.717 11.905  -34.046 1.000 24.438  0 373 SER EEE O   1 ? 6  
ATOM   341  C CB  . SER A 1 43  ? 28.797 14.330  -35.414 1.000 25.767  0 373 SER EEE CB  1 ? 6  
ATOM   342  O OG  . SER A 1 43  ? 29.169 15.644  -35.792 1.000 27.600  0 373 SER EEE OG  1 ? 6  
ATOM   343  N N   . PHE A 1 44  ? 29.466 10.830  -35.987 1.000 21.362  0 374 PHE EEE N   1 ? 6  
ATOM   344  C CA  . PHE A 1 44  ? 29.666 9.493   -35.388 1.000 21.485  0 374 PHE EEE CA  1 ? 6  
ATOM   345  C C   . PHE A 1 44  ? 31.114 9.425   -34.902 1.000 20.651  0 374 PHE EEE C   1 ? 6  
ATOM   346  O O   . PHE A 1 44  ? 32.018 9.792   -35.674 1.000 21.203  0 374 PHE EEE O   1 ? 6  
ATOM   347  C CB  . PHE A 1 44  ? 29.335 8.381   -36.388 1.000 21.596  0 374 PHE EEE CB  1 ? 6  
ATOM   348  C CG  . PHE A 1 44  ? 27.894 8.355   -36.819 1.000 22.971  0 374 PHE EEE CG  1 ? 6  
ATOM   349  C CD1 . PHE A 1 44  ? 26.886 8.219   -35.890 1.000 24.232  0 374 PHE EEE CD1 1 ? 6  
ATOM   350  C CD2 . PHE A 1 44  ? 27.548 8.443   -38.152 1.000 24.953  0 374 PHE EEE CD2 1 ? 6  
ATOM   351  C CE1 . PHE A 1 44  ? 25.559 8.186   -36.283 1.000 25.049  0 374 PHE EEE CE1 1 ? 6  
ATOM   352  C CE2 . PHE A 1 44  ? 26.224 8.388   -38.544 1.000 26.152  0 374 PHE EEE CE2 1 ? 6  
ATOM   353  C CZ  . PHE A 1 44  ? 25.229 8.300   -37.605 1.000 26.007  0 374 PHE EEE CZ  1 ? 6  
ATOM   354  N N   . SER A 1 45  ? 31.313 9.001   -33.657 1.000 21.060  0 375 SER EEE N   1 ? 6  
ATOM   355  C CA  . SER A 1 45  ? 32.646 8.879   -33.009 1.000 21.938  0 375 SER EEE CA  1 ? 6  
ATOM   356  C C   . SER A 1 45  ? 33.348 7.618   -33.520 1.000 21.860  0 375 SER EEE C   1 ? 6  
ATOM   357  O O   . SER A 1 45  ? 34.576 7.593   -33.546 1.000 24.374  0 375 SER EEE O   1 ? 6  
ATOM   358  C CB  . SER A 1 45  ? 32.537 8.863   -31.508 1.000 21.857  0 375 SER EEE CB  1 ? 6  
ATOM   359  O OG  . SER A 1 45  ? 31.672 7.837   -31.066 1.000 21.889  0 375 SER EEE OG  1 ? 6  
ATOM   360  N N   . THR A 1 46  ? 32.568 6.599   -33.865 1.000 22.306  0 376 THR EEE N   1 ? 6  
ATOM   361  C CA  . THR A 1 46  ? 33.067 5.318   -34.397 1.000 21.080  0 376 THR EEE CA  1 ? 6  
ATOM   362  C C   . THR A 1 46  ? 32.008 4.776   -35.353 1.000 20.435  0 376 THR EEE C   1 ? 6  
ATOM   363  O O   . THR A 1 46  ? 30.798 4.980   -35.119 1.000 19.812  0 376 THR EEE O   1 ? 6  
ATOM   364  C CB  . THR A 1 46  ? 33.419 4.350   -33.258 1.000 21.749  0 376 THR EEE CB  1 ? 6  
ATOM   365  O OG1 . THR A 1 46  ? 34.031 3.192   -33.838 1.000 21.071  0 376 THR EEE OG1 1 ? 6  
ATOM   366  C CG2 . THR A 1 46  ? 32.218 3.941   -32.434 1.000 21.743  0 376 THR EEE CG2 1 ? 6  
ATOM   367  N N   . PHE A 1 47  ? 32.443 4.092   -36.400 1.000 20.895  0 377 PHE EEE N   1 ? 6  
ATOM   368  C CA  . PHE A 1 47  ? 31.536 3.419   -37.360 1.000 20.824  0 377 PHE EEE CA  1 ? 6  
ATOM   369  C C   . PHE A 1 47  ? 32.353 2.277   -37.944 1.000 21.113  0 377 PHE EEE C   1 ? 6  
ATOM   370  O O   . PHE A 1 47  ? 33.124 2.543   -38.875 1.000 20.964  0 377 PHE EEE O   1 ? 6  
ATOM   371  C CB  . PHE A 1 47  ? 31.021 4.415   -38.407 1.000 21.091  0 377 PHE EEE CB  1 ? 6  
ATOM   372  C CG  . PHE A 1 47  ? 30.059 3.909   -39.455 1.000 21.831  0 377 PHE EEE CG  1 ? 6  
ATOM   373  C CD1 . PHE A 1 47  ? 29.887 2.555   -39.723 1.000 22.834  0 377 PHE EEE CD1 1 ? 6  
ATOM   374  C CD2 . PHE A 1 47  ? 29.357 4.815   -40.243 1.000 23.469  0 377 PHE EEE CD2 1 ? 6  
ATOM   375  C CE1 . PHE A 1 47  ? 29.014 2.127   -40.712 1.000 23.138  0 377 PHE EEE CE1 1 ? 6  
ATOM   376  C CE2 . PHE A 1 47  ? 28.504 4.380   -41.249 1.000 23.898  0 377 PHE EEE CE2 1 ? 6  
ATOM   377  C CZ  . PHE A 1 47  ? 28.338 3.042   -41.486 1.000 24.332  0 377 PHE EEE CZ  1 ? 6  
ATOM   378  N N   . LYS A 1 48  ? 32.285 1.096   -37.318 1.000 20.307  0 378 LYS EEE N   1 ? 6  
ATOM   379  C CA  . LYS A 1 48  ? 33.136 -0.038  -37.734 1.000 21.880  0 378 LYS EEE CA  1 ? 6  
ATOM   380  C C   . LYS A 1 48  ? 32.242 -1.215  -38.110 1.000 21.568  0 378 LYS EEE C   1 ? 6  
ATOM   381  O O   . LYS A 1 48  ? 31.194 -1.409  -37.474 1.000 20.928  0 378 LYS EEE O   1 ? 6  
ATOM   382  C CB  . LYS A 1 48  ? 34.089 -0.477  -36.623 1.000 22.892  0 378 LYS EEE CB  1 ? 6  
ATOM   383  C CG  . LYS A 1 48  ? 35.250 0.445   -36.311 1.000 23.539  0 378 LYS EEE CG  1 ? 6  
ATOM   384  C CD  . LYS A 1 48  ? 36.103 -0.164  -35.228 1.000 23.886  0 378 LYS EEE CD  1 ? 6  
ATOM   385  C CE  . LYS A 1 48  ? 36.999 0.825   -34.542 1.000 25.146  0 378 LYS EEE CE  1 ? 6  
ATOM   386  N NZ  . LYS A 1 48  ? 37.900 0.097   -33.625 1.000 25.864  0 378 LYS EEE NZ  1 ? 6  
ATOM   387  N N   . CYS A 1 49  ? 32.627 -1.949  -39.141 1.000 21.797  0 379 CYS EEE N   1 ? 6  
ATOM   388  C CA  . CYS A 1 49  ? 31.904 -3.175  -39.506 1.000 22.080  0 379 CYS EEE CA  1 ? 6  
ATOM   389  C C   . CYS A 1 49  ? 32.864 -4.349  -39.373 1.000 22.182  0 379 CYS EEE C   1 ? 6  
ATOM   390  O O   . CYS A 1 49  ? 34.102 -4.161  -39.453 1.000 21.596  0 379 CYS EEE O   1 ? 6  
ATOM   391  C CB  . CYS A 1 49  ? 31.273 -3.107  -40.882 1.000 22.532  0 379 CYS EEE CB  1 ? 6  
ATOM   392  S SG  . CYS A 1 49  ? 30.031 -1.803  -41.051 1.000 23.411  0 379 CYS EEE SG  1 ? 6  
ATOM   393  N N   . TYR A 1 50  ? 32.270 -5.501  -39.110 1.000 22.103  0 380 TYR EEE N   1 ? 6  
ATOM   394  C CA  . TYR A 1 50  ? 32.990 -6.761  -38.816 1.000 22.833  0 380 TYR EEE CA  1 ? 6  
ATOM   395  C C   . TYR A 1 50  ? 32.437 -7.812  -39.786 1.000 22.626  0 380 TYR EEE C   1 ? 6  
ATOM   396  O O   . TYR A 1 50  ? 31.204 -8.008  -39.782 1.000 21.860  0 380 TYR EEE O   1 ? 6  
ATOM   397  C CB  . TYR A 1 50  ? 32.801 -7.101  -37.332 1.000 22.520  0 380 TYR EEE CB  1 ? 6  
ATOM   398  C CG  . TYR A 1 50  ? 33.344 -6.075  -36.367 1.000 22.742  0 380 TYR EEE CG  1 ? 6  
ATOM   399  C CD1 . TYR A 1 50  ? 32.576 -4.996  -35.957 1.000 22.158  0 380 TYR EEE CD1 1 ? 6  
ATOM   400  C CD2 . TYR A 1 50  ? 34.627 -6.183  -35.858 1.000 22.976  0 380 TYR EEE CD2 1 ? 6  
ATOM   401  C CE1 . TYR A 1 50  ? 33.061 -4.059  -35.056 1.000 21.819  0 380 TYR EEE CE1 1 ? 6  
ATOM   402  C CE2 . TYR A 1 50  ? 35.127 -5.252  -34.960 1.000 22.640  0 380 TYR EEE CE2 1 ? 6  
ATOM   403  C CZ  . TYR A 1 50  ? 34.348 -4.180  -34.568 1.000 21.491  0 380 TYR EEE CZ  1 ? 6  
ATOM   404  O OH  . TYR A 1 50  ? 34.841 -3.260  -33.689 1.000 21.750  0 380 TYR EEE OH  1 ? 6  
ATOM   405  N N   . GLY A 1 51  ? 33.298 -8.420  -40.610 1.000 24.165  0 381 GLY EEE N   1 ? 6  
ATOM   406  C CA  . GLY A 1 51  ? 32.926 -9.459  -41.593 1.000 24.414  0 381 GLY EEE CA  1 ? 6  
ATOM   407  C C   . GLY A 1 51  ? 32.348 -8.871  -42.875 1.000 24.292  0 381 GLY EEE C   1 ? 6  
ATOM   408  O O   . GLY A 1 51  ? 32.097 -9.625  -43.826 1.000 24.254  0 381 GLY EEE O   1 ? 6  
ATOM   409  N N   . VAL A 1 52  ? 32.143 -7.551  -42.929 1.000 23.373  0 382 VAL EEE N   1 ? 6  
ATOM   410  C CA  . VAL A 1 52  ? 31.624 -6.865  -44.139 1.000 24.121  0 382 VAL EEE CA  1 ? 6  
ATOM   411  C C   . VAL A 1 52  ? 32.284 -5.485  -44.190 1.000 24.275  0 382 VAL EEE C   1 ? 6  
ATOM   412  O O   . VAL A 1 52  ? 32.507 -4.888  -43.100 1.000 22.818  0 382 VAL EEE O   1 ? 6  
ATOM   413  C CB  . VAL A 1 52  ? 30.083 -6.768  -44.154 1.000 25.683  0 382 VAL EEE CB  1 ? 6  
ATOM   414  C CG1 . VAL A 1 52  ? 29.390 -8.131  -44.174 1.000 28.081  0 382 VAL EEE CG1 1 ? 6  
ATOM   415  C CG2 . VAL A 1 52  ? 29.545 -5.947  -43.002 1.000 26.778  0 382 VAL EEE CG2 1 ? 6  
ATOM   416  N N   . SER A 1 53  ? 32.578 -5.001  -45.391 1.000 26.100  0 383 SER EEE N   1 ? 6  
ATOM   417  C CA  . SER A 1 53  ? 33.142 -3.643  -45.590 1.000 26.558  0 383 SER EEE CA  1 ? 6  
ATOM   418  C C   . SER A 1 53  ? 32.005 -2.628  -45.497 1.000 27.489  0 383 SER EEE C   1 ? 6  
ATOM   419  O O   . SER A 1 53  ? 30.930 -2.828  -46.065 1.000 26.932  0 383 SER EEE O   1 ? 6  
ATOM   420  C CB  . SER A 1 53  ? 33.914 -3.566  -46.883 1.000 29.218  0 383 SER EEE CB  1 ? 6  
ATOM   421  O OG  . SER A 1 53  ? 34.294 -2.223  -47.179 1.000 31.017  0 383 SER EEE OG  1 ? 6  
ATOM   422  N N   . PRO A 1 54  ? 32.185 -1.504  -44.759 1.000 27.001  0 384 PRO EEE N   1 ? 6  
ATOM   423  C CA  . PRO A 1 54  ? 31.216 -0.410  -44.806 1.000 27.184  0 384 PRO EEE CA  1 ? 6  
ATOM   424  C C   . PRO A 1 54  ? 30.889 0.017   -46.245 1.000 29.644  0 384 PRO EEE C   1 ? 6  
ATOM   425  O O   . PRO A 1 54  ? 29.769 0.443   -46.462 1.000 31.188  0 384 PRO EEE O   1 ? 6  
ATOM   426  C CB  . PRO A 1 54  ? 31.911 0.708   -44.019 1.000 26.905  0 384 PRO EEE CB  1 ? 6  
ATOM   427  C CG  . PRO A 1 54  ? 32.787 -0.017  -43.047 1.000 25.814  0 384 PRO EEE CG  1 ? 6  
ATOM   428  C CD  . PRO A 1 54  ? 33.274 -1.240  -43.807 1.000 25.935  0 384 PRO EEE CD  1 ? 6  
ATOM   429  N N   . THR A 1 55  ? 31.834 -0.148  -47.180 1.000 31.750  0 385 THR EEE N   1 ? 6  
ATOM   430  C CA  . THR A 1 55  ? 31.710 0.286   -48.596 1.000 34.175  0 385 THR EEE CA  1 ? 6  
ATOM   431  C C   . THR A 1 55  ? 30.728 -0.609  -49.357 1.000 34.581  0 385 THR EEE C   1 ? 6  
ATOM   432  O O   . THR A 1 55  ? 30.291 -0.178  -50.418 1.000 35.229  0 385 THR EEE O   1 ? 6  
ATOM   433  C CB  . THR A 1 55  ? 33.053 0.290   -49.339 1.000 36.473  0 385 THR EEE CB  1 ? 6  
ATOM   434  O OG1 . THR A 1 55  ? 33.550 -1.044  -49.482 1.000 37.148  0 385 THR EEE OG1 1 ? 6  
ATOM   435  C CG2 . THR A 1 55  ? 34.073 1.180   -48.667 1.000 37.616  0 385 THR EEE CG2 1 ? 6  
ATOM   436  N N   . LYS A 1 56  ? 30.391 -1.785  -48.827 1.000 31.830  0 386 LYS EEE N   1 ? 6  
ATOM   437  C CA  . LYS A 1 56  ? 29.578 -2.803  -49.531 1.000 33.561  0 386 LYS EEE CA  1 ? 6  
ATOM   438  C C   . LYS A 1 56  ? 28.206 -2.954  -48.864 1.000 31.517  0 386 LYS EEE C   1 ? 6  
ATOM   439  O O   . LYS A 1 56  ? 27.448 -3.842  -49.294 1.000 30.534  0 386 LYS EEE O   1 ? 6  
ATOM   440  C CB  . LYS A 1 56  ? 30.347 -4.126  -49.560 1.000 36.963  0 386 LYS EEE CB  1 ? 6  
ATOM   441  C CG  . LYS A 1 56  ? 31.615 -4.103  -50.399 1.000 41.444  0 386 LYS EEE CG  1 ? 6  
ATOM   442  C CD  . LYS A 1 56  ? 31.360 -3.819  -51.861 1.000 46.184  0 386 LYS EEE CD  1 ? 6  
ATOM   443  C CE  . LYS A 1 56  ? 32.462 -3.014  -52.509 1.000 48.940  0 386 LYS EEE CE  1 ? 6  
ATOM   444  N NZ  . LYS A 1 56  ? 32.433 -3.174  -53.981 1.000 54.509  0 386 LYS EEE NZ  1 ? 6  
ATOM   445  N N   . LEU A 1 57  ? 27.869 -2.126  -47.877 1.000 29.178  0 387 LEU EEE N   1 ? 6  
ATOM   446  C CA  . LEU A 1 57  ? 26.622 -2.308  -47.085 1.000 28.711  0 387 LEU EEE CA  1 ? 6  
ATOM   447  C C   . LEU A 1 57  ? 25.398 -2.216  -48.006 1.000 30.053  0 387 LEU EEE C   1 ? 6  
ATOM   448  O O   . LEU A 1 57  ? 24.452 -2.978  -47.778 1.000 30.433  0 387 LEU EEE O   1 ? 6  
ATOM   449  C CB  . LEU A 1 57  ? 26.547 -1.290  -45.948 1.000 29.621  0 387 LEU EEE CB  1 ? 6  
ATOM   450  C CG  . LEU A 1 57  ? 27.501 -1.550  -44.782 1.000 30.445  0 387 LEU EEE CG  1 ? 6  
ATOM   451  C CD1 . LEU A 1 57  ? 27.412 -0.451  -43.740 1.000 30.319  0 387 LEU EEE CD1 1 ? 6  
ATOM   452  C CD2 . LEU A 1 57  ? 27.216 -2.900  -44.150 1.000 30.376  0 387 LEU EEE CD2 1 ? 6  
ATOM   453  N N   . ASN A 1 58  ? 25.435 -1.384  -49.056 1.000 27.760  0 388 ASN EEE N   1 ? 6  
ATOM   454  C CA  . ASN A 1 58  ? 24.292 -1.268  -49.993 1.000 29.606  0 388 ASN EEE CA  1 ? 6  
ATOM   455  C C   . ASN A 1 58  ? 24.335 -2.380  -51.046 1.000 30.062  0 388 ASN EEE C   1 ? 6  
ATOM   456  O O   . ASN A 1 58  ? 23.423 -2.399  -51.887 1.000 31.985  0 388 ASN EEE O   1 ? 6  
ATOM   457  C CB  . ASN A 1 58  ? 24.205 0.131   -50.618 1.000 30.041  0 388 ASN EEE CB  1 ? 6  
ATOM   458  C CG  . ASN A 1 58  ? 23.346 1.070   -49.797 1.000 30.370  0 388 ASN EEE CG  1 ? 6  
ATOM   459  O OD1 . ASN A 1 58  ? 23.088 0.818   -48.621 1.000 29.771  0 388 ASN EEE OD1 1 ? 6  
ATOM   460  N ND2 . ASN A 1 58  ? 22.866 2.140   -50.416 1.000 32.712  0 388 ASN EEE ND2 1 ? 6  
ATOM   461  N N   . ASP A 1 59  ? 25.332 -3.270  -51.023 1.000 29.725  0 389 ASP EEE N   1 ? 6  
ATOM   462  C CA  . ASP A 1 59  ? 25.528 -4.312  -52.066 1.000 31.607  0 389 ASP EEE CA  1 ? 6  
ATOM   463  C C   . ASP A 1 59  ? 25.339 -5.725  -51.498 1.000 32.214  0 389 ASP EEE C   1 ? 6  
ATOM   464  O O   . ASP A 1 59  ? 25.707 -6.658  -52.209 1.000 33.397  0 389 ASP EEE O   1 ? 6  
ATOM   465  C CB  . ASP A 1 59  ? 26.929 -4.233  -52.671 1.000 34.069  0 389 ASP EEE CB  1 ? 6  
ATOM   466  C CG  . ASP A 1 59  ? 27.209 -2.881  -53.296 1.000 38.746  0 389 ASP EEE CG  1 ? 6  
ATOM   467  O OD1 . ASP A 1 59  ? 26.478 -2.527  -54.223 1.000 41.100  0 389 ASP EEE OD1 1 ? 6  
ATOM   468  O OD2 . ASP A 1 59  ? 28.110 -2.173  -52.799 1.000 44.763  0 389 ASP EEE OD2 1 ? 6  
ATOM   469  N N   . LEU A 1 60  ? 24.862 -5.879  -50.264 1.000 30.362  0 390 LEU EEE N   1 ? 6  
ATOM   470  C CA  . LEU A 1 60  ? 24.817 -7.199  -49.581 1.000 31.596  0 390 LEU EEE CA  1 ? 6  
ATOM   471  C C   . LEU A 1 60  ? 23.384 -7.504  -49.163 1.000 31.165  0 390 LEU EEE C   1 ? 6  
ATOM   472  O O   . LEU A 1 60  ? 22.641 -6.547  -48.836 1.000 28.819  0 390 LEU EEE O   1 ? 6  
ATOM   473  C CB  . LEU A 1 60  ? 25.736 -7.194  -48.356 1.000 32.244  0 390 LEU EEE CB  1 ? 6  
ATOM   474  C CG  . LEU A 1 60  ? 27.229 -7.100  -48.650 1.000 33.712  0 390 LEU EEE CG  1 ? 6  
ATOM   475  C CD1 . LEU A 1 60  ? 27.994 -6.933  -47.355 1.000 36.004  0 390 LEU EEE CD1 1 ? 6  
ATOM   476  C CD2 . LEU A 1 60  ? 27.730 -8.301  -49.427 1.000 35.943  0 390 LEU EEE CD2 1 ? 6  
ATOM   477  N N   . CYS A 1 61  ? 23.054 -8.803  -49.134 1.000 29.398  0 391 CYS EEE N   1 ? 6  
ATOM   478  C CA  . CYS A 1 61  ? 21.787 -9.369  -48.607 1.000 29.374  0 391 CYS EEE CA  1 ? 6  
ATOM   479  C C   . CYS A 1 61  ? 22.047 -10.206 -47.344 1.000 27.347  0 391 CYS EEE C   1 ? 6  
ATOM   480  O O   . CYS A 1 61  ? 23.098 -10.873 -47.280 1.000 26.580  0 391 CYS EEE O   1 ? 6  
ATOM   481  C CB  . CYS A 1 61  ? 21.130 -10.263 -49.649 1.000 32.525  0 391 CYS EEE CB  1 ? 6  
ATOM   482  S SG  . CYS A 1 61  ? 20.558 -9.352  -51.106 1.000 35.800  0 391 CYS EEE SG  1 ? 6  
ATOM   483  N N   . PHE A 1 62  ? 21.102 -10.179 -46.406 1.000 26.232  0 392 PHE EEE N   1 ? 6  
ATOM   484  C CA  . PHE A 1 62  ? 21.162 -10.904 -45.111 1.000 26.208  0 392 PHE EEE CA  1 ? 6  
ATOM   485  C C   . PHE A 1 62  ? 19.832 -11.610 -44.888 1.000 26.629  0 392 PHE EEE C   1 ? 6  
ATOM   486  O O   . PHE A 1 62  ? 18.798 -11.184 -45.425 1.000 26.267  0 392 PHE EEE O   1 ? 6  
ATOM   487  C CB  . PHE A 1 62  ? 21.537 -9.957  -43.977 1.000 25.799  0 392 PHE EEE CB  1 ? 6  
ATOM   488  C CG  . PHE A 1 62  ? 22.848 -9.265  -44.239 1.000 25.642  0 392 PHE EEE CG  1 ? 6  
ATOM   489  C CD1 . PHE A 1 62  ? 24.048 -9.943  -44.091 1.000 25.875  0 392 PHE EEE CD1 1 ? 6  
ATOM   490  C CD2 . PHE A 1 62  ? 22.878 -7.952  -44.690 1.000 26.388  0 392 PHE EEE CD2 1 ? 6  
ATOM   491  C CE1 . PHE A 1 62  ? 25.257 -9.307  -44.344 1.000 26.294  0 392 PHE EEE CE1 1 ? 6  
ATOM   492  C CE2 . PHE A 1 62  ? 24.086 -7.325  -44.960 1.000 26.538  0 392 PHE EEE CE2 1 ? 6  
ATOM   493  C CZ  . PHE A 1 62  ? 25.273 -8.005  -44.791 1.000 26.280  0 392 PHE EEE CZ  1 ? 6  
ATOM   494  N N   . THR A 1 63  ? 19.879 -12.701 -44.125 1.000 26.065  0 393 THR EEE N   1 ? 6  
ATOM   495  C CA  . THR A 1 63  ? 18.687 -13.522 -43.827 1.000 27.643  0 393 THR EEE CA  1 ? 6  
ATOM   496  C C   . THR A 1 63  ? 17.898 -12.825 -42.714 1.000 28.110  0 393 THR EEE C   1 ? 6  
ATOM   497  O O   . THR A 1 63  ? 16.683 -13.057 -42.626 1.000 29.608  0 393 THR EEE O   1 ? 6  
ATOM   498  C CB  . THR A 1 63  ? 19.123 -14.968 -43.553 1.000 27.723  0 393 THR EEE CB  1 ? 6  
ATOM   499  O OG1 . THR A 1 63  ? 19.962 -15.001 -42.407 1.000 27.088  0 393 THR EEE OG1 1 ? 6  
ATOM   500  C CG2 . THR A 1 63  ? 19.910 -15.546 -44.707 1.000 28.283  0 393 THR EEE CG2 1 ? 6  
ATOM   501  N N   . ASN A 1 64  ? 18.572 -12.004 -41.906 1.000 28.147  0 394 ASN EEE N   1 ? 6  
ATOM   502  C CA  . ASN A 1 64  ? 17.952 -11.229 -40.808 1.000 29.065  0 394 ASN EEE CA  1 ? 6  
ATOM   503  C C   . ASN A 1 64  ? 18.913 -10.134 -40.350 1.000 27.246  0 394 ASN EEE C   1 ? 6  
ATOM   504  O O   . ASN A 1 64  ? 20.122 -10.350 -40.394 1.000 25.745  0 394 ASN EEE O   1 ? 6  
ATOM   505  C CB  . ASN A 1 64  ? 17.582 -12.102 -39.607 1.000 31.737  0 394 ASN EEE CB  1 ? 6  
ATOM   506  C CG  . ASN A 1 64  ? 16.737 -11.349 -38.599 1.000 34.855  0 394 ASN EEE CG  1 ? 6  
ATOM   507  O OD1 . ASN A 1 64  ? 15.622 -10.926 -38.913 1.000 37.526  0 394 ASN EEE OD1 1 ? 6  
ATOM   508  N ND2 . ASN A 1 64  ? 17.284 -11.122 -37.413 1.000 37.082  0 394 ASN EEE ND2 1 ? 6  
ATOM   509  N N   . VAL A 1 65  ? 18.368 -9.022  -39.867 1.000 26.286  0 395 VAL EEE N   1 ? 6  
ATOM   510  C CA  . VAL A 1 65  ? 19.154 -7.905  -39.271 1.000 25.596  0 395 VAL EEE CA  1 ? 6  
ATOM   511  C C   . VAL A 1 65  ? 18.500 -7.527  -37.951 1.000 25.174  0 395 VAL EEE C   1 ? 6  
ATOM   512  O O   . VAL A 1 65  ? 17.272 -7.513  -37.877 1.000 25.709  0 395 VAL EEE O   1 ? 6  
ATOM   513  C CB  . VAL A 1 65  ? 19.229 -6.710  -40.239 1.000 25.430  0 395 VAL EEE CB  1 ? 6  
ATOM   514  C CG1 . VAL A 1 65  ? 19.881 -5.499  -39.608 1.000 24.978  0 395 VAL EEE CG1 1 ? 6  
ATOM   515  C CG2 . VAL A 1 65  ? 19.949 -7.098  -41.514 1.000 24.882  0 395 VAL EEE CG2 1 ? 6  
ATOM   516  N N   . TYR A 1 66  ? 19.304 -7.292  -36.926 1.000 25.134  0 396 TYR EEE N   1 ? 6  
ATOM   517  C CA  . TYR A 1 66  ? 18.828 -6.656  -35.679 1.000 26.336  0 396 TYR EEE CA  1 ? 6  
ATOM   518  C C   . TYR A 1 66  ? 19.565 -5.348  -35.498 1.000 25.147  0 396 TYR EEE C   1 ? 6  
ATOM   519  O O   . TYR A 1 66  ? 20.757 -5.304  -35.816 1.000 25.912  0 396 TYR EEE O   1 ? 6  
ATOM   520  C CB  . TYR A 1 66  ? 19.061 -7.522  -34.448 1.000 28.276  0 396 TYR EEE CB  1 ? 6  
ATOM   521  C CG  . TYR A 1 66  ? 18.141 -8.704  -34.375 1.000 32.911  0 396 TYR EEE CG  1 ? 6  
ATOM   522  C CD1 . TYR A 1 66  ? 16.779 -8.521  -34.222 1.000 35.157  0 396 TYR EEE CD1 1 ? 6  
ATOM   523  C CD2 . TYR A 1 66  ? 18.633 -9.996  -34.466 1.000 36.023  0 396 TYR EEE CD2 1 ? 6  
ATOM   524  C CE1 . TYR A 1 66  ? 15.913 -9.597  -34.150 1.000 39.918  0 396 TYR EEE CE1 1 ? 6  
ATOM   525  C CE2 . TYR A 1 66  ? 17.780 -11.088 -34.386 1.000 38.936  0 396 TYR EEE CE2 1 ? 6  
ATOM   526  C CZ  . TYR A 1 66  ? 16.420 -10.883 -34.224 1.000 40.357  0 396 TYR EEE CZ  1 ? 6  
ATOM   527  O OH  . TYR A 1 66  ? 15.560 -11.939 -34.147 1.000 50.465  0 396 TYR EEE OH  1 ? 6  
ATOM   528  N N   . ALA A 1 67  ? 18.846 -4.364  -34.977 1.000 24.663  0 397 ALA EEE N   1 ? 6  
ATOM   529  C CA  . ALA A 1 67  ? 19.368 -3.042  -34.580 1.000 24.266  0 397 ALA EEE CA  1 ? 6  
ATOM   530  C C   . ALA A 1 67  ? 19.194 -2.930  -33.066 1.000 23.759  0 397 ALA EEE C   1 ? 6  
ATOM   531  O O   . ALA A 1 67  ? 18.055 -2.798  -32.604 1.000 25.655  0 397 ALA EEE O   1 ? 6  
ATOM   532  C CB  . ALA A 1 67  ? 18.647 -1.956  -35.327 1.000 23.878  0 397 ALA EEE CB  1 ? 6  
ATOM   533  N N   . ASP A 1 68  ? 20.293 -3.058  -32.330 1.000 23.113  0 398 ASP EEE N   1 ? 6  
ATOM   534  C CA  . ASP A 1 68  ? 20.327 -2.906  -30.858 1.000 23.475  0 398 ASP EEE CA  1 ? 6  
ATOM   535  C C   . ASP A 1 68  ? 20.824 -1.493  -30.543 1.000 22.986  0 398 ASP EEE C   1 ? 6  
ATOM   536  O O   . ASP A 1 68  ? 21.760 -0.986  -31.211 1.000 24.346  0 398 ASP EEE O   1 ? 6  
ATOM   537  C CB  . ASP A 1 68  ? 21.205 -3.967  -30.189 1.000 23.475  0 398 ASP EEE CB  1 ? 6  
ATOM   538  C CG  . ASP A 1 68  ? 20.814 -5.403  -30.512 1.000 24.538  0 398 ASP EEE CG  1 ? 6  
ATOM   539  O OD1 . ASP A 1 68  ? 19.606 -5.668  -30.759 1.000 25.358  0 398 ASP EEE OD1 1 ? 6  
ATOM   540  O OD2 . ASP A 1 68  ? 21.709 -6.260  -30.452 1.000 24.823  0 398 ASP EEE OD2 1 ? 6  
ATOM   541  N N   . SER A 1 69  ? 20.243 -0.870  -29.546 1.000 23.857  0 399 SER EEE N   1 ? 6  
ATOM   542  C CA  . SER A 1 69  ? 20.623 0.512   -29.188 1.000 23.595  0 399 SER EEE CA  1 ? 6  
ATOM   543  C C   . SER A 1 69  ? 20.494 0.757   -27.691 1.000 24.525  0 399 SER EEE C   1 ? 6  
ATOM   544  O O   . SER A 1 69  ? 19.631 0.153   -27.012 1.000 25.191  0 399 SER EEE O   1 ? 6  
ATOM   545  C CB  . SER A 1 69  ? 19.863 1.496   -30.029 1.000 23.050  0 399 SER EEE CB  1 ? 6  
ATOM   546  O OG  . SER A 1 69  ? 18.478 1.427   -29.784 1.000 24.487  0 399 SER EEE OG  1 ? 6  
ATOM   547  N N   . PHE A 1 70  ? 21.330 1.678   -27.219 1.000 24.304  0 400 PHE EEE N   1 ? 6  
ATOM   548  C CA  . PHE A 1 70  ? 21.509 1.975   -25.788 1.000 24.780  0 400 PHE EEE CA  1 ? 6  
ATOM   549  C C   . PHE A 1 70  ? 22.509 3.121   -25.649 1.000 24.135  0 400 PHE EEE C   1 ? 6  
ATOM   550  O O   . PHE A 1 70  ? 23.151 3.531   -26.642 1.000 23.417  0 400 PHE EEE O   1 ? 6  
ATOM   551  C CB  . PHE A 1 70  ? 21.989 0.727   -25.042 1.000 24.750  0 400 PHE EEE CB  1 ? 6  
ATOM   552  C CG  . PHE A 1 70  ? 23.209 0.071   -25.635 1.000 23.238  0 400 PHE EEE CG  1 ? 6  
ATOM   553  C CD1 . PHE A 1 70  ? 24.475 0.571   -25.377 1.000 22.716  0 400 PHE EEE CD1 1 ? 6  
ATOM   554  C CD2 . PHE A 1 70  ? 23.093 -1.043  -26.451 1.000 23.389  0 400 PHE EEE CD2 1 ? 6  
ATOM   555  C CE1 . PHE A 1 70  ? 25.602 -0.009  -25.927 1.000 22.764  0 400 PHE EEE CE1 1 ? 6  
ATOM   556  C CE2 . PHE A 1 70  ? 24.220 -1.642  -26.986 1.000 22.719  0 400 PHE EEE CE2 1 ? 6  
ATOM   557  C CZ  . PHE A 1 70  ? 25.474 -1.122  -26.733 1.000 22.662  0 400 PHE EEE CZ  1 ? 6  
ATOM   558  N N   . VAL A 1 71  ? 22.631 3.593   -24.414 1.000 25.646  0 401 VAL EEE N   1 ? 6  
ATOM   559  C CA  . VAL A 1 71  ? 23.589 4.644   -24.010 1.000 25.931  0 401 VAL EEE CA  1 ? 6  
ATOM   560  C C   . VAL A 1 71  ? 24.591 4.036   -23.029 1.000 25.568  0 401 VAL EEE C   1 ? 6  
ATOM   561  O O   . VAL A 1 71  ? 24.177 3.325   -22.079 1.000 25.732  0 401 VAL EEE O   1 ? 6  
ATOM   562  C CB  . VAL A 1 71  ? 22.831 5.837   -23.409 1.000 27.243  0 401 VAL EEE CB  1 ? 6  
ATOM   563  C CG1 . VAL A 1 71  ? 23.769 6.798   -22.709 1.000 27.701  0 401 VAL EEE CG1 1 ? 6  
ATOM   564  C CG2 . VAL A 1 71  ? 22.003 6.537   -24.469 1.000 27.492  0 401 VAL EEE CG2 1 ? 6  
ATOM   565  N N   . ILE A 1 72  ? 25.861 4.358   -23.245 1.000 24.864  0 402 ILE EEE N   1 ? 6  
ATOM   566  C CA  . ILE A 1 72  ? 26.978 4.119   -22.290 1.000 26.101  0 402 ILE EEE CA  1 ? 6  
ATOM   567  C C   . ILE A 1 72  ? 27.820 5.398   -22.246 1.000 26.037  0 402 ILE EEE C   1 ? 6  
ATOM   568  O O   . ILE A 1 72  ? 27.476 6.368   -22.952 1.000 27.345  0 402 ILE EEE O   1 ? 6  
ATOM   569  C CB  . ILE A 1 72  ? 27.822 2.893   -22.690 1.000 24.603  0 402 ILE EEE CB  1 ? 6  
ATOM   570  C CG1 . ILE A 1 72  ? 28.344 3.013   -24.124 1.000 23.421  0 402 ILE EEE CG1 1 ? 6  
ATOM   571  C CG2 . ILE A 1 72  ? 27.028 1.605   -22.450 1.000 25.334  0 402 ILE EEE CG2 1 ? 6  
ATOM   572  C CD1 . ILE A 1 72  ? 29.048 1.784   -24.650 1.000 23.567  0 402 ILE EEE CD1 1 ? 6  
ATOM   573  N N   . ARG A 1 73  ? 28.891 5.395   -21.457 1.000 27.101  0 403 ARG EEE N   1 ? 6  
ATOM   574  C CA  . ARG A 1 73  ? 29.817 6.543   -21.427 1.000 28.208  0 403 ARG EEE CA  1 ? 6  
ATOM   575  C C   . ARG A 1 73  ? 30.892 6.302   -22.486 1.000 26.442  0 403 ARG EEE C   1 ? 6  
ATOM   576  O O   . ARG A 1 73  ? 31.082 5.128   -22.941 1.000 24.558  0 403 ARG EEE O   1 ? 6  
ATOM   577  C CB  . ARG A 1 73  ? 30.297 6.835   -20.000 1.000 30.983  0 403 ARG EEE CB  1 ? 6  
ATOM   578  C CG  . ARG A 1 73  ? 31.323 5.862   -19.461 1.000 32.358  0 403 ARG EEE CG  1 ? 6  
ATOM   579  C CD  . ARG A 1 73  ? 31.809 6.194   -18.058 1.000 35.337  0 403 ARG EEE CD  1 ? 6  
ATOM   580  N NE  . ARG A 1 73  ? 33.168 5.686   -17.965 1.000 38.722  0 403 ARG EEE NE  1 ? 6  
ATOM   581  C CZ  . ARG A 1 73  ? 33.778 5.281   -16.866 1.000 43.596  0 403 ARG EEE CZ  1 ? 6  
ATOM   582  N NH1 . ARG A 1 73  ? 33.165 5.349   -15.696 1.000 48.449  0 403 ARG EEE NH1 1 ? 6  
ATOM   583  N NH2 . ARG A 1 73  ? 35.010 4.805   -16.943 1.000 44.616  0 403 ARG EEE NH2 1 ? 6  
ATOM   584  N N   . GLY A 1 74  ? 31.503 7.398   -22.943 1.000 25.280  0 404 GLY EEE N   1 ? 6  
ATOM   585  C CA  . GLY A 1 74  ? 32.433 7.403   -24.084 1.000 24.644  0 404 GLY EEE CA  1 ? 6  
ATOM   586  C C   . GLY A 1 74  ? 33.540 6.361   -23.968 1.000 24.823  0 404 GLY EEE C   1 ? 6  
ATOM   587  O O   . GLY A 1 74  ? 33.768 5.655   -24.955 1.000 25.634  0 404 GLY EEE O   1 ? 6  
ATOM   588  N N   . ASP A 1 75  ? 34.216 6.252   -22.824 1.000 26.160  0 405 ASP EEE N   1 ? 6  
ATOM   589  C CA  A ASP A 1 75  ? 35.408 5.361   -22.710 0.500 26.751  0 405 ASP EEE CA  1 ? 6  
ATOM   590  C CA  B ASP A 1 75  ? 35.396 5.363   -22.634 0.500 26.753  0 405 ASP EEE CA  1 ? 6  
ATOM   591  C C   . ASP A 1 75  ? 34.967 3.882   -22.589 1.000 26.227  0 405 ASP EEE C   1 ? 6  
ATOM   592  O O   . ASP A 1 75  ? 35.853 3.038   -22.543 1.000 24.735  0 405 ASP EEE O   1 ? 6  
ATOM   593  C CB  A ASP A 1 75  ? 36.378 5.842   -21.619 0.500 29.050  0 405 ASP EEE CB  1 ? 6  
ATOM   594  C CB  B ASP A 1 75  ? 36.181 5.756   -21.378 0.500 29.014  0 405 ASP EEE CB  1 ? 6  
ATOM   595  C CG  A ASP A 1 75  ? 35.890 5.670   -20.192 0.500 30.640  0 405 ASP EEE CG  1 ? 6  
ATOM   596  C CG  B ASP A 1 75  ? 37.064 6.976   -21.573 0.500 30.105  0 405 ASP EEE CG  1 ? 6  
ATOM   597  O OD1 A ASP A 1 75  ? 34.886 4.960   -20.014 0.500 30.214  0 405 ASP EEE OD1 1 ? 6  
ATOM   598  O OD1 B ASP A 1 75  ? 37.068 7.520   -22.702 0.500 31.290  0 405 ASP EEE OD1 1 ? 6  
ATOM   599  O OD2 A ASP A 1 75  ? 36.517 6.257   -19.265 0.500 33.316  0 405 ASP EEE OD2 1 ? 6  
ATOM   600  O OD2 B ASP A 1 75  ? 37.736 7.367   -20.606 0.500 31.389  0 405 ASP EEE OD2 1 ? 6  
ATOM   601  N N   . GLU A 1 76  ? 33.663 3.592   -22.589 1.000 24.519  0 406 GLU EEE N   1 ? 6  
ATOM   602  C CA  . GLU A 1 76  ? 33.118 2.206   -22.635 1.000 25.596  0 406 GLU EEE CA  1 ? 6  
ATOM   603  C C   . GLU A 1 76  ? 32.786 1.790   -24.072 1.000 24.096  0 406 GLU EEE C   1 ? 6  
ATOM   604  O O   . GLU A 1 76  ? 32.519 0.591   -24.287 1.000 24.133  0 406 GLU EEE O   1 ? 6  
ATOM   605  C CB  . GLU A 1 76  ? 31.874 2.051   -21.760 1.000 26.403  0 406 GLU EEE CB  1 ? 6  
ATOM   606  C CG  . GLU A 1 76  ? 32.170 2.162   -20.281 1.000 27.607  0 406 GLU EEE CG  1 ? 6  
ATOM   607  C CD  . GLU A 1 76  ? 30.959 2.326   -19.378 1.000 29.361  0 406 GLU EEE CD  1 ? 6  
ATOM   608  O OE1 . GLU A 1 76  ? 29.874 2.736   -19.890 1.000 27.059  0 406 GLU EEE OE1 1 ? 6  
ATOM   609  O OE2 . GLU A 1 76  ? 31.095 2.026   -18.156 1.000 28.987  0 406 GLU EEE OE2 1 ? 6  
ATOM   610  N N   . VAL A 1 77  ? 32.780 2.705   -25.043 1.000 22.406  0 407 VAL EEE N   1 ? 6  
ATOM   611  C CA  . VAL A 1 77  ? 32.387 2.333   -26.432 1.000 22.946  0 407 VAL EEE CA  1 ? 6  
ATOM   612  C C   . VAL A 1 77  ? 33.353 1.265   -26.974 1.000 22.485  0 407 VAL EEE C   1 ? 6  
ATOM   613  O O   . VAL A 1 77  ? 32.886 0.380   -27.695 1.000 22.409  0 407 VAL EEE O   1 ? 6  
ATOM   614  C CB  . VAL A 1 77  ? 32.267 3.576   -27.324 1.000 22.639  0 407 VAL EEE CB  1 ? 6  
ATOM   615  C CG1 . VAL A 1 77  ? 32.093 3.217   -28.799 1.000 23.084  0 407 VAL EEE CG1 1 ? 6  
ATOM   616  C CG2 . VAL A 1 77  ? 31.113 4.425   -26.821 1.000 23.528  0 407 VAL EEE CG2 1 ? 6  
ATOM   617  N N   . ARG A 1 78  ? 34.630 1.299   -26.588 1.000 23.021  0 408 ARG EEE N   1 ? 6  
ATOM   618  C CA  . ARG A 1 78  ? 35.646 0.284   -26.986 1.000 24.086  0 408 ARG EEE CA  1 ? 6  
ATOM   619  C C   . ARG A 1 78  ? 35.197 -1.153  -26.621 1.000 23.932  0 408 ARG EEE C   1 ? 6  
ATOM   620  O O   . ARG A 1 78  ? 35.679 -2.092  -27.277 1.000 23.289  0 408 ARG EEE O   1 ? 6  
ATOM   621  C CB  . ARG A 1 78  ? 36.987 0.626   -26.324 1.000 26.095  0 408 ARG EEE CB  1 ? 6  
ATOM   622  C CG  . ARG A 1 78  ? 36.935 0.698   -24.806 1.000 27.528  0 408 ARG EEE CG  1 ? 6  
ATOM   623  C CD  . ARG A 1 78  ? 38.311 0.737   -24.168 1.000 30.456  0 408 ARG EEE CD  1 ? 6  
ATOM   624  N NE  . ARG A 1 78  ? 38.958 -0.565  -24.230 1.000 32.105  0 408 ARG EEE NE  1 ? 6  
ATOM   625  C CZ  . ARG A 1 78  ? 38.857 -1.538  -23.319 1.000 32.967  0 408 ARG EEE CZ  1 ? 6  
ATOM   626  N NH1 . ARG A 1 78  ? 38.117 -1.400  -22.225 1.000 32.188  0 408 ARG EEE NH1 1 ? 6  
ATOM   627  N NH2 . ARG A 1 78  ? 39.524 -2.664  -23.514 1.000 32.699  0 408 ARG EEE NH2 1 ? 6  
ATOM   628  N N   . GLN A 1 79  ? 34.328 -1.330  -25.625 1.000 24.087  0 409 GLN EEE N   1 ? 6  
ATOM   629  C CA  . GLN A 1 79  ? 33.822 -2.660  -25.179 1.000 24.716  0 409 GLN EEE CA  1 ? 6  
ATOM   630  C C   . GLN A 1 79  ? 32.741 -3.204  -26.127 1.000 24.602  0 409 GLN EEE C   1 ? 6  
ATOM   631  O O   . GLN A 1 79  ? 32.429 -4.393  -26.028 1.000 23.202  0 409 GLN EEE O   1 ? 6  
ATOM   632  C CB  . GLN A 1 79  ? 33.282 -2.593  -23.748 1.000 25.419  0 409 GLN EEE CB  1 ? 6  
ATOM   633  C CG  . GLN A 1 79  ? 34.349 -2.219  -22.733 1.000 26.342  0 409 GLN EEE CG  1 ? 6  
ATOM   634  C CD  . GLN A 1 79  ? 33.852 -2.254  -21.309 1.000 27.558  0 409 GLN EEE CD  1 ? 6  
ATOM   635  O OE1 . GLN A 1 79  ? 33.017 -3.082  -20.936 1.000 27.981  0 409 GLN EEE OE1 1 ? 6  
ATOM   636  N NE2 . GLN A 1 79  ? 34.389 -1.357  -20.493 1.000 27.990  0 409 GLN EEE NE2 1 ? 6  
ATOM   637  N N   . ILE A 1 80  ? 32.169 -2.371  -26.998 1.000 23.641  0 410 ILE EEE N   1 ? 6  
ATOM   638  C CA  . ILE A 1 80  ? 31.145 -2.811  -27.989 1.000 24.310  0 410 ILE EEE CA  1 ? 6  
ATOM   639  C C   . ILE A 1 80  ? 31.884 -3.238  -29.259 1.000 23.062  0 410 ILE EEE C   1 ? 6  
ATOM   640  O O   . ILE A 1 80  ? 31.835 -2.543  -30.299 1.000 23.084  0 410 ILE EEE O   1 ? 6  
ATOM   641  C CB  . ILE A 1 80  ? 30.063 -1.745  -28.237 1.000 23.692  0 410 ILE EEE CB  1 ? 6  
ATOM   642  C CG1 . ILE A 1 80  ? 29.559 -1.118  -26.931 1.000 24.417  0 410 ILE EEE CG1 1 ? 6  
ATOM   643  C CG2 . ILE A 1 80  ? 28.922 -2.349  -29.051 1.000 23.661  0 410 ILE EEE CG2 1 ? 6  
ATOM   644  C CD1 . ILE A 1 80  ? 29.087 -2.130  -25.900 1.000 25.000  0 410 ILE EEE CD1 1 ? 6  
ATOM   645  N N   . ALA A 1 81  ? 32.587 -4.351  -29.135 1.000 23.298  0 411 ALA EEE N   1 ? 6  
ATOM   646  C CA  . ALA A 1 81  ? 33.453 -4.948  -30.164 1.000 22.951  0 411 ALA EEE CA  1 ? 6  
ATOM   647  C C   . ALA A 1 81  ? 33.609 -6.419  -29.807 1.000 24.759  0 411 ALA EEE C   1 ? 6  
ATOM   648  O O   . ALA A 1 81  ? 33.414 -6.799  -28.647 1.000 24.420  0 411 ALA EEE O   1 ? 6  
ATOM   649  C CB  . ALA A 1 81  ? 34.783 -4.248  -30.209 1.000 22.285  0 411 ALA EEE CB  1 ? 6  
ATOM   650  N N   . PRO A 1 82  ? 33.942 -7.272  -30.792 1.000 24.828  0 412 PRO EEE N   1 ? 6  
ATOM   651  C CA  . PRO A 1 82  ? 34.212 -8.676  -30.507 1.000 25.343  0 412 PRO EEE CA  1 ? 6  
ATOM   652  C C   . PRO A 1 82  ? 35.421 -8.833  -29.572 1.000 26.249  0 412 PRO EEE C   1 ? 6  
ATOM   653  O O   . PRO A 1 82  ? 36.434 -8.165  -29.733 1.000 26.198  0 412 PRO EEE O   1 ? 6  
ATOM   654  C CB  . PRO A 1 82  ? 34.440 -9.322  -31.884 1.000 25.446  0 412 PRO EEE CB  1 ? 6  
ATOM   655  C CG  . PRO A 1 82  ? 34.578 -8.180  -32.872 1.000 25.832  0 412 PRO EEE CG  1 ? 6  
ATOM   656  C CD  . PRO A 1 82  ? 34.046 -6.927  -32.220 1.000 24.728  0 412 PRO EEE CD  1 ? 6  
ATOM   657  N N   . GLY A 1 83  ? 35.285 -9.724  -28.589 1.000 27.208  0 413 GLY EEE N   1 ? 6  
ATOM   658  C CA  . GLY A 1 83  ? 36.419 -10.210 -27.789 1.000 29.545  0 413 GLY EEE CA  1 ? 6  
ATOM   659  C C   . GLY A 1 83  ? 36.810 -9.245  -26.689 1.000 28.636  0 413 GLY EEE C   1 ? 6  
ATOM   660  O O   . GLY A 1 83  ? 37.927 -9.350  -26.195 1.000 31.366  0 413 GLY EEE O   1 ? 6  
ATOM   661  N N   . GLN A 1 84  ? 35.899 -8.386  -26.267 1.000 27.914  0 414 GLN EEE N   1 ? 6  
ATOM   662  C CA  . GLN A 1 84  ? 36.187 -7.380  -25.219 1.000 28.979  0 414 GLN EEE CA  1 ? 6  
ATOM   663  C C   . GLN A 1 84  ? 35.816 -7.882  -23.823 1.000 29.630  0 414 GLN EEE C   1 ? 6  
ATOM   664  O O   . GLN A 1 84  ? 35.007 -8.827  -23.682 1.000 29.858  0 414 GLN EEE O   1 ? 6  
ATOM   665  C CB  . GLN A 1 84  ? 35.409 -6.098  -25.496 1.000 28.520  0 414 GLN EEE CB  1 ? 6  
ATOM   666  C CG  . GLN A 1 84  ? 35.812 -5.432  -26.788 1.000 29.266  0 414 GLN EEE CG  1 ? 6  
ATOM   667  C CD  . GLN A 1 84  ? 37.306 -5.337  -26.906 1.000 31.386  0 414 GLN EEE CD  1 ? 6  
ATOM   668  O OE1 . GLN A 1 84  ? 37.982 -4.659  -26.126 1.000 32.718  0 414 GLN EEE OE1 1 ? 6  
ATOM   669  N NE2 . GLN A 1 84  ? 37.828 -6.054  -27.884 1.000 35.266  0 414 GLN EEE NE2 1 ? 6  
ATOM   670  N N   . THR A 1 85  ? 36.365 -7.207  -22.820 1.000 30.983  0 415 THR EEE N   1 ? 6  
ATOM   671  C CA  . THR A 1 85  ? 35.990 -7.369  -21.393 1.000 31.959  0 415 THR EEE CA  1 ? 6  
ATOM   672  C C   . THR A 1 85  ? 35.813 -5.972  -20.774 1.000 29.698  0 415 THR EEE C   1 ? 6  
ATOM   673  O O   . THR A 1 85  ? 36.113 -4.962  -21.433 1.000 27.751  0 415 THR EEE O   1 ? 6  
ATOM   674  C CB  . THR A 1 85  ? 37.013 -8.248  -20.665 1.000 33.708  0 415 THR EEE CB  1 ? 6  
ATOM   675  O OG1 . THR A 1 85  ? 36.488 -8.539  -19.366 1.000 39.220  0 415 THR EEE OG1 1 ? 6  
ATOM   676  C CG2 . THR A 1 85  ? 38.371 -7.597  -20.525 1.000 34.470  0 415 THR EEE CG2 1 ? 6  
ATOM   677  N N   . GLY A 1 86  ? 35.294 -5.940  -19.554 1.000 30.386  0 416 GLY EEE N   1 ? 6  
ATOM   678  C CA  . GLY A 1 86  ? 34.954 -4.709  -18.821 1.000 29.518  0 416 GLY EEE CA  1 ? 6  
ATOM   679  C C   . GLY A 1 86  ? 33.521 -4.790  -18.333 1.000 30.080  0 416 GLY EEE C   1 ? 6  
ATOM   680  O O   . GLY A 1 86  ? 32.822 -5.776  -18.646 1.000 30.056  0 416 GLY EEE O   1 ? 6  
ATOM   681  N N   . VAL A 1 87  ? 33.083 -3.799  -17.566 1.000 29.036  0 417 VAL EEE N   1 ? 6  
ATOM   682  C CA  . VAL A 1 87  ? 31.758 -3.860  -16.891 1.000 29.526  0 417 VAL EEE CA  1 ? 6  
ATOM   683  C C   . VAL A 1 87  ? 30.631 -3.968  -17.931 1.000 27.732  0 417 VAL EEE C   1 ? 6  
ATOM   684  O O   . VAL A 1 87  ? 29.613 -4.634  -17.628 1.000 27.405  0 417 VAL EEE O   1 ? 6  
ATOM   685  C CB  . VAL A 1 87  ? 31.563 -2.670  -15.944 1.000 30.224  0 417 VAL EEE CB  1 ? 6  
ATOM   686  C CG1 . VAL A 1 87  ? 31.395 -1.356  -16.701 1.000 29.344  0 417 VAL EEE CG1 1 ? 6  
ATOM   687  C CG2 . VAL A 1 87  ? 30.398 -2.935  -15.002 1.000 32.535  0 417 VAL EEE CG2 1 ? 6  
ATOM   688  N N   . ILE A 1 88  ? 30.758 -3.313  -19.091 1.000 26.468  0 418 ILE EEE N   1 ? 6  
ATOM   689  C CA  . ILE A 1 88  ? 29.690 -3.345  -20.138 1.000 25.621  0 418 ILE EEE CA  1 ? 6  
ATOM   690  C C   . ILE A 1 88  ? 29.701 -4.697  -20.870 1.000 25.299  0 418 ILE EEE C   1 ? 6  
ATOM   691  O O   . ILE A 1 88  ? 28.638 -5.342  -20.919 1.000 26.609  0 418 ILE EEE O   1 ? 6  
ATOM   692  C CB  . ILE A 1 88  ? 29.801 -2.119  -21.071 1.000 24.786  0 418 ILE EEE CB  1 ? 6  
ATOM   693  C CG1 . ILE A 1 88  ? 29.704 -0.807  -20.283 1.000 25.590  0 418 ILE EEE CG1 1 ? 6  
ATOM   694  C CG2 . ILE A 1 88  ? 28.762 -2.191  -22.171 1.000 24.369  0 418 ILE EEE CG2 1 ? 6  
ATOM   695  C CD1 . ILE A 1 88  ? 28.466 -0.702  -19.403 1.000 26.249  0 418 ILE EEE CD1 1 ? 6  
ATOM   696  N N   . ALA A 1 89  ? 30.832 -5.150  -21.409 1.000 25.240  0 419 ALA EEE N   1 ? 6  
ATOM   697  C CA  . ALA A 1 89  ? 30.886 -6.417  -22.179 1.000 25.427  0 419 ALA EEE CA  1 ? 6  
ATOM   698  C C   . ALA A 1 89  ? 30.527 -7.589  -21.252 1.000 27.076  0 419 ALA EEE C   1 ? 6  
ATOM   699  O O   . ALA A 1 89  ? 29.780 -8.492  -21.681 1.000 26.434  0 419 ALA EEE O   1 ? 6  
ATOM   700  C CB  . ALA A 1 89  ? 32.242 -6.595  -22.823 1.000 25.069  0 419 ALA EEE CB  1 ? 6  
ATOM   701  N N   . ASP A 1 90  ? 30.974 -7.551  -19.994 1.000 28.585  0 420 ASP EEE N   1 ? 6  
ATOM   702  C CA  . ASP A 1 90  ? 30.785 -8.691  -19.064 1.000 30.536  0 420 ASP EEE CA  1 ? 6  
ATOM   703  C C   . ASP A 1 90  ? 29.346 -8.718  -18.528 1.000 31.098  0 420 ASP EEE C   1 ? 6  
ATOM   704  O O   . ASP A 1 90  ? 28.787 -9.836  -18.438 1.000 32.271  0 420 ASP EEE O   1 ? 6  
ATOM   705  C CB  . ASP A 1 90  ? 31.814 -8.674  -17.931 1.000 32.613  0 420 ASP EEE CB  1 ? 6  
ATOM   706  C CG  . ASP A 1 90  ? 33.261 -8.833  -18.393 1.000 33.363  0 420 ASP EEE CG  1 ? 6  
ATOM   707  O OD1 . ASP A 1 90  ? 33.467 -9.088  -19.597 1.000 34.007  0 420 ASP EEE OD1 1 ? 6  
ATOM   708  O OD2 . ASP A 1 90  ? 34.159 -8.731  -17.541 1.000 35.539  0 420 ASP EEE OD2 1 ? 6  
ATOM   709  N N   . TYR A 1 91  ? 28.767 -7.572  -18.143 1.000 30.315  0 421 TYR EEE N   1 ? 6  
ATOM   710  C CA  . TYR A 1 91  ? 27.532 -7.547  -17.310 1.000 31.187  0 421 TYR EEE CA  1 ? 6  
ATOM   711  C C   . TYR A 1 91  ? 26.309 -6.925  -18.007 1.000 30.180  0 421 TYR EEE C   1 ? 6  
ATOM   712  O O   . TYR A 1 91  ? 25.200 -6.983  -17.403 1.000 31.216  0 421 TYR EEE O   1 ? 6  
ATOM   713  C CB  . TYR A 1 91  ? 27.789 -6.787  -16.011 1.000 32.748  0 421 TYR EEE CB  1 ? 6  
ATOM   714  C CG  . TYR A 1 91  ? 28.786 -7.376  -15.047 1.000 33.814  0 421 TYR EEE CG  1 ? 6  
ATOM   715  C CD1 . TYR A 1 91  ? 29.295 -8.663  -15.190 1.000 34.733  0 421 TYR EEE CD1 1 ? 6  
ATOM   716  C CD2 . TYR A 1 91  ? 29.178 -6.645  -13.931 1.000 34.830  0 421 TYR EEE CD2 1 ? 6  
ATOM   717  C CE1 . TYR A 1 91  ? 30.198 -9.183  -14.276 1.000 36.283  0 421 TYR EEE CE1 1 ? 6  
ATOM   718  C CE2 . TYR A 1 91  ? 30.058 -7.169  -12.997 1.000 36.431  0 421 TYR EEE CE2 1 ? 6  
ATOM   719  C CZ  . TYR A 1 91  ? 30.586 -8.433  -13.178 1.000 36.970  0 421 TYR EEE CZ  1 ? 6  
ATOM   720  O OH  . TYR A 1 91  ? 31.452 -8.957  -12.256 1.000 39.380  0 421 TYR EEE OH  1 ? 6  
ATOM   721  N N   . ASN A 1 92  ? 26.468 -6.285  -19.164 1.000 28.427  0 422 ASN EEE N   1 ? 6  
ATOM   722  C CA  . ASN A 1 92  ? 25.383 -5.450  -19.758 1.000 28.479  0 422 ASN EEE CA  1 ? 6  
ATOM   723  C C   . ASN A 1 92  ? 25.062 -5.810  -21.210 1.000 27.953  0 422 ASN EEE C   1 ? 6  
ATOM   724  O O   . ASN A 1 92  ? 23.865 -6.013  -21.492 1.000 28.676  0 422 ASN EEE O   1 ? 6  
ATOM   725  C CB  . ASN A 1 92  ? 25.717 -3.960  -19.684 1.000 27.870  0 422 ASN EEE CB  1 ? 6  
ATOM   726  C CG  . ASN A 1 92  ? 25.679 -3.454  -18.264 1.000 28.831  0 422 ASN EEE CG  1 ? 6  
ATOM   727  O OD1 . ASN A 1 92  ? 24.643 -2.991  -17.796 1.000 31.107  0 422 ASN EEE OD1 1 ? 6  
ATOM   728  N ND2 . ASN A 1 92  ? 26.778 -3.615  -17.548 1.000 29.725  0 422 ASN EEE ND2 1 ? 6  
ATOM   729  N N   . TYR A 1 93  ? 26.052 -5.758  -22.110 1.000 26.564  0 423 TYR EEE N   1 ? 6  
ATOM   730  C CA  . TYR A 1 93  ? 25.852 -6.016  -23.554 1.000 25.529  0 423 TYR EEE CA  1 ? 6  
ATOM   731  C C   . TYR A 1 93  ? 27.089 -6.700  -24.130 1.000 24.836  0 423 TYR EEE C   1 ? 6  
ATOM   732  O O   . TYR A 1 93  ? 28.156 -6.084  -24.204 1.000 24.006  0 423 TYR EEE O   1 ? 6  
ATOM   733  C CB  . TYR A 1 93  ? 25.561 -4.727  -24.337 1.000 24.060  0 423 TYR EEE CB  1 ? 6  
ATOM   734  C CG  . TYR A 1 93  ? 25.181 -5.018  -25.765 1.000 23.287  0 423 TYR EEE CG  1 ? 6  
ATOM   735  C CD1 . TYR A 1 93  ? 23.892 -5.399  -26.092 1.000 24.465  0 423 TYR EEE CD1 1 ? 6  
ATOM   736  C CD2 . TYR A 1 93  ? 26.113 -4.957  -26.781 1.000 22.671  0 423 TYR EEE CD2 1 ? 6  
ATOM   737  C CE1 . TYR A 1 93  ? 23.527 -5.684  -27.398 1.000 23.962  0 423 TYR EEE CE1 1 ? 6  
ATOM   738  C CE2 . TYR A 1 93  ? 25.769 -5.235  -28.098 1.000 22.706  0 423 TYR EEE CE2 1 ? 6  
ATOM   739  C CZ  . TYR A 1 93  ? 24.476 -5.613  -28.404 1.000 23.070  0 423 TYR EEE CZ  1 ? 6  
ATOM   740  O OH  . TYR A 1 93  ? 24.138 -5.896  -29.692 1.000 23.667  0 423 TYR EEE OH  1 ? 6  
ATOM   741  N N   . LYS A 1 94  ? 26.921 -7.932  -24.603 1.000 26.498  0 424 LYS EEE N   1 ? 6  
ATOM   742  C CA  . LYS A 1 94  ? 28.058 -8.786  -25.019 1.000 26.352  0 424 LYS EEE CA  1 ? 6  
ATOM   743  C C   . LYS A 1 94  ? 27.930 -9.100  -26.509 1.000 26.164  0 424 LYS EEE C   1 ? 6  
ATOM   744  O O   . LYS A 1 94  ? 26.975 -9.815  -26.899 1.000 26.899  0 424 LYS EEE O   1 ? 6  
ATOM   745  C CB  . LYS A 1 94  ? 28.085 -10.065 -24.169 1.000 28.161  0 424 LYS EEE CB  1 ? 6  
ATOM   746  C CG  . LYS A 1 94  ? 29.199 -11.036 -24.535 1.000 28.025  0 424 LYS EEE CG  1 ? 6  
ATOM   747  C CD  . LYS A 1 94  ? 30.560 -10.410 -24.549 1.000 28.077  0 424 LYS EEE CD  1 ? 6  
ATOM   748  C CE  . LYS A 1 94  ? 31.689 -11.410 -24.599 1.000 29.109  0 424 LYS EEE CE  1 ? 6  
ATOM   749  N NZ  . LYS A 1 94  ? 32.983 -10.730 -24.813 1.000 29.294  0 424 LYS EEE NZ  1 ? 6  
ATOM   750  N N   . LEU A 1 95  ? 28.900 -8.653  -27.297 1.000 25.915  0 425 LEU EEE N   1 ? 6  
ATOM   751  C CA  . LEU A 1 95  ? 28.991 -9.035  -28.725 1.000 27.657  0 425 LEU EEE CA  1 ? 6  
ATOM   752  C C   . LEU A 1 95  ? 29.675 -10.391 -28.804 1.000 27.169  0 425 LEU EEE C   1 ? 6  
ATOM   753  O O   . LEU A 1 95  ? 30.543 -10.723 -27.997 1.000 27.534  0 425 LEU EEE O   1 ? 6  
ATOM   754  C CB  . LEU A 1 95  ? 29.761 -7.990  -29.535 1.000 26.484  0 425 LEU EEE CB  1 ? 6  
ATOM   755  C CG  . LEU A 1 95  ? 28.974 -6.746  -29.949 1.000 28.094  0 425 LEU EEE CG  1 ? 6  
ATOM   756  C CD1 . LEU A 1 95  ? 29.770 -5.954  -30.968 1.000 28.140  0 425 LEU EEE CD1 1 ? 6  
ATOM   757  C CD2 . LEU A 1 95  ? 27.605 -7.101  -30.512 1.000 28.154  0 425 LEU EEE CD2 1 ? 6  
ATOM   758  N N   . PRO A 1 96  ? 29.309 -11.204 -29.811 1.000 27.732  0 426 PRO EEE N   1 ? 6  
ATOM   759  C CA  . PRO A 1 96  ? 29.994 -12.467 -30.035 1.000 27.763  0 426 PRO EEE CA  1 ? 6  
ATOM   760  C C   . PRO A 1 96  ? 31.448 -12.280 -30.475 1.000 27.154  0 426 PRO EEE C   1 ? 6  
ATOM   761  O O   . PRO A 1 96  ? 31.747 -11.295 -31.118 1.000 26.225  0 426 PRO EEE O   1 ? 6  
ATOM   762  C CB  . PRO A 1 96  ? 29.250 -13.143 -31.187 1.000 28.515  0 426 PRO EEE CB  1 ? 6  
ATOM   763  C CG  . PRO A 1 96  ? 28.183 -12.188 -31.635 1.000 27.568  0 426 PRO EEE CG  1 ? 6  
ATOM   764  C CD  . PRO A 1 96  ? 28.250 -10.933 -30.784 1.000 27.172  0 426 PRO EEE CD  1 ? 6  
ATOM   765  N N   . ASP A 1 97  ? 32.277 -13.287 -30.217 1.000 28.049  0 427 ASP EEE N   1 ? 6  
ATOM   766  C CA  . ASP A 1 97  ? 33.699 -13.327 -30.650 1.000 29.092  0 427 ASP EEE CA  1 ? 6  
ATOM   767  C C   . ASP A 1 97  ? 33.796 -13.214 -32.179 1.000 27.075  0 427 ASP EEE C   1 ? 6  
ATOM   768  O O   . ASP A 1 97  ? 34.795 -12.657 -32.654 1.000 27.035  0 427 ASP EEE O   1 ? 6  
ATOM   769  C CB  . ASP A 1 97  ? 34.392 -14.603 -30.180 1.000 30.643  0 427 ASP EEE CB  1 ? 6  
ATOM   770  C CG  . ASP A 1 97  ? 34.388 -14.785 -28.668 1.000 33.478  0 427 ASP EEE CG  1 ? 6  
ATOM   771  O OD1 . ASP A 1 97  ? 34.081 -13.819 -27.933 1.000 31.169  0 427 ASP EEE OD1 1 ? 6  
ATOM   772  O OD2 . ASP A 1 97  ? 34.691 -15.888 -28.245 1.000 32.705  0 427 ASP EEE OD2 1 ? 6  
ATOM   773  N N   . ASP A 1 98  ? 32.808 -13.727 -32.921 1.000 25.376  0 428 ASP EEE N   1 ? 6  
ATOM   774  C CA  . ASP A 1 98  ? 32.818 -13.805 -34.410 1.000 24.914  0 428 ASP EEE CA  1 ? 6  
ATOM   775  C C   . ASP A 1 98  ? 31.743 -12.867 -34.991 1.000 22.997  0 428 ASP EEE C   1 ? 6  
ATOM   776  O O   . ASP A 1 98  ? 31.218 -13.151 -36.064 1.000 22.846  0 428 ASP EEE O   1 ? 6  
ATOM   777  C CB  . ASP A 1 98  ? 32.621 -15.265 -34.855 1.000 25.534  0 428 ASP EEE CB  1 ? 6  
ATOM   778  C CG  . ASP A 1 98  ? 31.265 -15.800 -34.437 1.000 25.673  0 428 ASP EEE CG  1 ? 6  
ATOM   779  O OD1 . ASP A 1 98  ? 30.643 -15.182 -33.547 1.000 24.788  0 428 ASP EEE OD1 1 ? 6  
ATOM   780  O OD2 . ASP A 1 98  ? 30.841 -16.819 -34.990 1.000 26.598  0 428 ASP EEE OD2 1 ? 6  
ATOM   781  N N   . PHE A 1 99  ? 31.448 -11.766 -34.308 1.000 22.728  0 429 PHE EEE N   1 ? 6  
ATOM   782  C CA  . PHE A 1 99  ? 30.399 -10.781 -34.665 1.000 22.795  0 429 PHE EEE CA  1 ? 6  
ATOM   783  C C   . PHE A 1 99  ? 30.466 -10.415 -36.149 1.000 22.243  0 429 PHE EEE C   1 ? 6  
ATOM   784  O O   . PHE A 1 99  ? 31.524 -10.054 -36.662 1.000 21.905  0 429 PHE EEE O   1 ? 6  
ATOM   785  C CB  . PHE A 1 99  ? 30.537 -9.523  -33.814 1.000 22.203  0 429 PHE EEE CB  1 ? 6  
ATOM   786  C CG  . PHE A 1 99  ? 29.551 -8.439  -34.163 1.000 22.191  0 429 PHE EEE CG  1 ? 6  
ATOM   787  C CD1 . PHE A 1 99  ? 28.187 -8.671  -34.101 1.000 21.912  0 429 PHE EEE CD1 1 ? 6  
ATOM   788  C CD2 . PHE A 1 99  ? 29.995 -7.189  -34.585 1.000 21.904  0 429 PHE EEE CD2 1 ? 6  
ATOM   789  C CE1 . PHE A 1 99  ? 27.288 -7.676  -34.463 1.000 23.724  0 429 PHE EEE CE1 1 ? 6  
ATOM   790  C CE2 . PHE A 1 99  ? 29.092 -6.182  -34.904 1.000 21.621  0 429 PHE EEE CE2 1 ? 6  
ATOM   791  C CZ  . PHE A 1 99  ? 27.740 -6.425  -34.843 1.000 21.977  0 429 PHE EEE CZ  1 ? 6  
ATOM   792  N N   . THR A 1 100 ? 29.330 -10.531 -36.824 1.000 22.618  0 430 THR EEE N   1 ? 6  
ATOM   793  C CA  . THR A 1 100 ? 29.120 -10.019 -38.196 1.000 23.138  0 430 THR EEE CA  1 ? 6  
ATOM   794  C C   . THR A 1 100 ? 28.115 -8.869  -38.099 1.000 22.361  0 430 THR EEE C   1 ? 6  
ATOM   795  O O   . THR A 1 100 ? 26.971 -9.092  -37.661 1.000 21.570  0 430 THR EEE O   1 ? 6  
ATOM   796  C CB  . THR A 1 100 ? 28.674 -11.123 -39.154 1.000 24.281  0 430 THR EEE CB  1 ? 6  
ATOM   797  O OG1 . THR A 1 100 ? 29.559 -12.232 -39.012 1.000 24.806  0 430 THR EEE OG1 1 ? 6  
ATOM   798  C CG2 . THR A 1 100 ? 28.646 -10.671 -40.594 1.000 24.513  0 430 THR EEE CG2 1 ? 6  
ATOM   799  N N   . GLY A 1 101 ? 28.552 -7.669  -38.459 1.000 22.482  0 431 GLY EEE N   1 ? 6  
ATOM   800  C CA  . GLY A 1 101 ? 27.691 -6.476  -38.374 1.000 22.098  0 431 GLY EEE CA  1 ? 6  
ATOM   801  C C   . GLY A 1 101 ? 28.494 -5.218  -38.144 1.000 21.698  0 431 GLY EEE C   1 ? 6  
ATOM   802  O O   . GLY A 1 101 ? 29.715 -5.221  -38.402 1.000 21.367  0 431 GLY EEE O   1 ? 6  
ATOM   803  N N   . CYS A 1 102 ? 27.820 -4.162  -37.693 1.000 21.239  0 432 CYS EEE N   1 ? 6  
ATOM   804  C CA  . CYS A 1 102 ? 28.436 -2.818  -37.576 1.000 20.954  0 432 CYS EEE CA  1 ? 6  
ATOM   805  C C   . CYS A 1 102 ? 28.078 -2.232  -36.208 1.000 20.972  0 432 CYS EEE C   1 ? 6  
ATOM   806  O O   . CYS A 1 102 ? 26.993 -2.514  -35.668 1.000 22.192  0 432 CYS EEE O   1 ? 6  
ATOM   807  C CB  . CYS A 1 102 ? 27.976 -1.882  -38.694 1.000 22.013  0 432 CYS EEE CB  1 ? 6  
ATOM   808  S SG  . CYS A 1 102 ? 28.258 -2.502  -40.372 1.000 23.816  0 432 CYS EEE SG  1 ? 6  
ATOM   809  N N   . VAL A 1 103 ? 28.990 -1.436  -35.676 1.000 20.891  0 433 VAL EEE N   1 ? 6  
ATOM   810  C CA  . VAL A 1 103 ? 28.831 -0.711  -34.394 1.000 20.639  0 433 VAL EEE CA  1 ? 6  
ATOM   811  C C   . VAL A 1 103 ? 29.041 0.774   -34.695 1.000 20.312  0 433 VAL EEE C   1 ? 6  
ATOM   812  O O   . VAL A 1 103 ? 30.102 1.124   -35.168 1.000 20.250  0 433 VAL EEE O   1 ? 6  
ATOM   813  C CB  . VAL A 1 103 ? 29.824 -1.243  -33.353 1.000 20.750  0 433 VAL EEE CB  1 ? 6  
ATOM   814  C CG1 . VAL A 1 103 ? 29.740 -0.450  -32.062 1.000 21.484  0 433 VAL EEE CG1 1 ? 6  
ATOM   815  C CG2 . VAL A 1 103 ? 29.600 -2.735  -33.092 1.000 21.971  0 433 VAL EEE CG2 1 ? 6  
ATOM   816  N N   . ILE A 1 104 ? 28.040 1.592   -34.402 1.000 21.308  0 434 ILE EEE N   1 ? 6  
ATOM   817  C CA  . ILE A 1 104 ? 28.050 3.051   -34.671 1.000 21.034  0 434 ILE EEE CA  1 ? 6  
ATOM   818  C C   . ILE A 1 104 ? 27.742 3.734   -33.347 1.000 20.999  0 434 ILE EEE C   1 ? 6  
ATOM   819  O O   . ILE A 1 104 ? 26.835 3.262   -32.638 1.000 21.283  0 434 ILE EEE O   1 ? 6  
ATOM   820  C CB  . ILE A 1 104 ? 27.044 3.391   -35.784 1.000 22.180  0 434 ILE EEE CB  1 ? 6  
ATOM   821  C CG1 . ILE A 1 104 ? 27.414 2.675   -37.089 1.000 24.533  0 434 ILE EEE CG1 1 ? 6  
ATOM   822  C CG2 . ILE A 1 104 ? 26.932 4.907   -35.977 1.000 21.499  0 434 ILE EEE CG2 1 ? 6  
ATOM   823  C CD1 . ILE A 1 104 ? 26.342 2.731   -38.155 1.000 25.665  0 434 ILE EEE CD1 1 ? 6  
ATOM   824  N N   . ALA A 1 105 ? 28.503 4.762   -33.001 1.000 20.241  0 435 ALA EEE N   1 ? 6  
ATOM   825  C CA  . ALA A 1 105 ? 28.241 5.572   -31.797 1.000 19.867  0 435 ALA EEE CA  1 ? 6  
ATOM   826  C C   . ALA A 1 105 ? 28.405 7.057   -32.098 1.000 20.552  0 435 ALA EEE C   1 ? 6  
ATOM   827  O O   . ALA A 1 105 ? 29.059 7.430   -33.078 1.000 20.577  0 435 ALA EEE O   1 ? 6  
ATOM   828  C CB  . ALA A 1 105 ? 29.143 5.148   -30.671 1.000 20.246  0 435 ALA EEE CB  1 ? 6  
ATOM   829  N N   . TRP A 1 106 ? 27.850 7.871   -31.214 1.000 21.069  0 436 TRP EEE N   1 ? 6  
ATOM   830  C CA  . TRP A 1 106 ? 27.958 9.335   -31.300 1.000 21.209  0 436 TRP EEE CA  1 ? 6  
ATOM   831  C C   . TRP A 1 106 ? 27.744 9.931   -29.912 1.000 21.332  0 436 TRP EEE C   1 ? 6  
ATOM   832  O O   . TRP A 1 106 ? 26.969 9.367   -29.091 1.000 21.318  0 436 TRP EEE O   1 ? 6  
ATOM   833  C CB  . TRP A 1 106 ? 26.996 9.930   -32.331 1.000 21.616  0 436 TRP EEE CB  1 ? 6  
ATOM   834  C CG  . TRP A 1 106 ? 25.528 9.795   -32.038 1.000 22.346  0 436 TRP EEE CG  1 ? 6  
ATOM   835  C CD1 . TRP A 1 106 ? 24.689 10.732  -31.496 1.000 23.622  0 436 TRP EEE CD1 1 ? 6  
ATOM   836  C CD2 . TRP A 1 106 ? 24.698 8.672   -32.372 1.000 22.850  0 436 TRP EEE CD2 1 ? 6  
ATOM   837  N NE1 . TRP A 1 106 ? 23.402 10.266  -31.481 1.000 24.114  0 436 TRP EEE NE1 1 ? 6  
ATOM   838  C CE2 . TRP A 1 106 ? 23.377 9.002   -32.007 1.000 23.876  0 436 TRP EEE CE2 1 ? 6  
ATOM   839  C CE3 . TRP A 1 106 ? 24.952 7.429   -32.945 1.000 21.915  0 436 TRP EEE CE3 1 ? 6  
ATOM   840  C CZ2 . TRP A 1 106 ? 22.317 8.118   -32.193 1.000 24.360  0 436 TRP EEE CZ2 1 ? 6  
ATOM   841  C CZ3 . TRP A 1 106 ? 23.902 6.568   -33.152 1.000 22.550  0 436 TRP EEE CZ3 1 ? 6  
ATOM   842  C CH2 . TRP A 1 106 ? 22.608 6.906   -32.771 1.000 23.336  0 436 TRP EEE CH2 1 ? 6  
ATOM   843  N N   . ASN A 1 107 ? 28.439 11.034  -29.678 1.000 22.155  0 437 ASN EEE N   1 ? 6  
ATOM   844  C CA  . ASN A 1 107 ? 28.357 11.774  -28.403 1.000 22.176  0 437 ASN EEE CA  1 ? 6  
ATOM   845  C C   . ASN A 1 107 ? 26.948 12.354  -28.297 1.000 23.007  0 437 ASN EEE C   1 ? 6  
ATOM   846  O O   . ASN A 1 107 ? 26.510 13.026  -29.226 1.000 23.922  0 437 ASN EEE O   1 ? 6  
ATOM   847  C CB  . ASN A 1 107 ? 29.440 12.839  -28.341 1.000 23.162  0 437 ASN EEE CB  1 ? 6  
ATOM   848  C CG  . ASN A 1 107 ? 29.403 13.600  -27.039 1.000 23.577  0 437 ASN EEE CG  1 ? 6  
ATOM   849  O OD1 . ASN A 1 107 ? 28.453 14.331  -26.773 1.000 24.661  0 437 ASN EEE OD1 1 ? 6  
ATOM   850  N ND2 . ASN A 1 107 ? 30.436 13.436  -26.238 1.000 25.219  0 437 ASN EEE ND2 1 ? 6  
ATOM   851  N N   . SER A 1 108 ? 26.261 12.098  -27.194 1.000 23.255  0 438 SER EEE N   1 ? 6  
ATOM   852  C CA  . SER A 1 108 ? 24.888 12.584  -26.953 1.000 23.754  0 438 SER EEE CA  1 ? 6  
ATOM   853  C C   . SER A 1 108 ? 24.865 13.486  -25.708 1.000 24.882  0 438 SER EEE C   1 ? 6  
ATOM   854  O O   . SER A 1 108 ? 23.797 13.627  -25.125 1.000 25.893  0 438 SER EEE O   1 ? 6  
ATOM   855  C CB  . SER A 1 108 ? 23.941 11.418  -26.833 1.000 23.483  0 438 SER EEE CB  1 ? 6  
ATOM   856  O OG  . SER A 1 108 ? 24.298 10.561  -25.745 1.000 23.080  0 438 SER EEE OG  1 ? 6  
ATOM   857  N N   . ASN A 1 109 ? 25.996 14.081  -25.324 1.000 25.687  0 439 ASN EEE N   1 ? 6  
ATOM   858  C CA  . ASN A 1 109 ? 26.084 15.014  -24.158 1.000 26.252  0 439 ASN EEE CA  1 ? 6  
ATOM   859  C C   . ASN A 1 109 ? 24.939 16.027  -24.204 1.000 27.439  0 439 ASN EEE C   1 ? 6  
ATOM   860  O O   . ASN A 1 109 ? 24.330 16.313  -23.150 1.000 28.157  0 439 ASN EEE O   1 ? 6  
ATOM   861  C CB  . ASN A 1 109 ? 27.416 15.763  -24.098 1.000 26.524  0 439 ASN EEE CB  1 ? 6  
ATOM   862  C CG  . ASN A 1 109 ? 27.725 16.344  -22.727 1.000 28.260  0 439 ASN EEE CG  1 ? 6  
ATOM   863  O OD1 . ASN A 1 109 ? 27.395 15.757  -21.693 1.000 29.192  0 439 ASN EEE OD1 1 ? 6  
ATOM   864  N ND2 . ASN A 1 109 ? 28.407 17.476  -22.708 1.000 29.184  0 439 ASN EEE ND2 1 ? 6  
ATOM   865  N N   . ASN A 1 110 ? 24.673 16.611  -25.374 1.000 27.662  0 440 ASN EEE N   1 ? 6  
ATOM   866  C CA  . ASN A 1 110 ? 23.694 17.724  -25.476 1.000 29.942  0 440 ASN EEE CA  1 ? 6  
ATOM   867  C C   . ASN A 1 110 ? 22.312 17.201  -25.061 1.000 30.083  0 440 ASN EEE C   1 ? 6  
ATOM   868  O O   . ASN A 1 110 ? 21.658 17.901  -24.301 1.000 31.171  0 440 ASN EEE O   1 ? 6  
ATOM   869  C CB  . ASN A 1 110 ? 23.691 18.365  -26.866 1.000 30.107  0 440 ASN EEE CB  1 ? 6  
ATOM   870  C CG  . ASN A 1 110 ? 22.735 19.534  -26.964 1.000 32.094  0 440 ASN EEE CG  1 ? 6  
ATOM   871  O OD1 . ASN A 1 110 ? 23.080 20.671  -26.646 1.000 35.020  0 440 ASN EEE OD1 1 ? 6  
ATOM   872  N ND2 . ASN A 1 110 ? 21.524 19.265  -27.417 1.000 33.387  0 440 ASN EEE ND2 1 ? 6  
ATOM   873  N N   . LEU A 1 111 ? 21.887 16.020  -25.535 1.000 29.553  0 441 LEU EEE N   1 ? 6  
ATOM   874  C CA  . LEU A 1 111 ? 20.520 15.487  -25.257 1.000 31.187  0 441 LEU EEE CA  1 ? 6  
ATOM   875  C C   . LEU A 1 111 ? 20.473 14.733  -23.929 1.000 31.183  0 441 LEU EEE C   1 ? 6  
ATOM   876  O O   . LEU A 1 111 ? 19.410 14.738  -23.314 1.000 33.646  0 441 LEU EEE O   1 ? 6  
ATOM   877  C CB  . LEU A 1 111 ? 20.069 14.537  -26.365 1.000 31.256  0 441 LEU EEE CB  1 ? 6  
ATOM   878  C CG  . LEU A 1 111 ? 19.786 15.174  -27.718 1.000 32.396  0 441 LEU EEE CG  1 ? 6  
ATOM   879  C CD1 . LEU A 1 111 ? 19.402 14.092  -28.718 1.000 32.235  0 441 LEU EEE CD1 1 ? 6  
ATOM   880  C CD2 . LEU A 1 111 ? 18.711 16.247  -27.605 1.000 34.038  0 441 LEU EEE CD2 1 ? 6  
ATOM   881  N N   . ASP A 1 112 ? 21.558 14.089  -23.518 1.000 29.977  0 442 ASP EEE N   1 ? 6  
ATOM   882  C CA  . ASP A 1 112 ? 21.477 13.042  -22.471 1.000 31.566  0 442 ASP EEE CA  1 ? 6  
ATOM   883  C C   . ASP A 1 112 ? 22.106 13.495  -21.148 1.000 32.342  0 442 ASP EEE C   1 ? 6  
ATOM   884  O O   . ASP A 1 112 ? 21.915 12.773  -20.162 1.000 36.060  0 442 ASP EEE O   1 ? 6  
ATOM   885  C CB  . ASP A 1 112 ? 22.076 11.727  -22.966 1.000 29.032  0 442 ASP EEE CB  1 ? 6  
ATOM   886  C CG  . ASP A 1 112 ? 21.189 10.979  -23.949 1.000 28.957  0 442 ASP EEE CG  1 ? 6  
ATOM   887  O OD1 . ASP A 1 112 ? 19.966 11.150  -23.868 1.000 29.223  0 442 ASP EEE OD1 1 ? 6  
ATOM   888  O OD2 . ASP A 1 112 ? 21.740 10.228  -24.802 1.000 28.265  0 442 ASP EEE OD2 1 ? 6  
ATOM   889  N N   . SER A 1 113 ? 22.873 14.582  -21.111 1.000 32.458  0 443 SER EEE N   1 ? 6  
ATOM   890  C CA  A SER A 1 113 ? 23.423 15.116  -19.836 0.500 33.216  0 443 SER EEE CA  1 ? 6  
ATOM   891  C CA  B SER A 1 113 ? 23.435 15.134  -19.848 0.500 33.638  0 443 SER EEE CA  1 ? 6  
ATOM   892  C C   . SER A 1 113 ? 22.510 16.225  -19.318 1.000 36.185  0 443 SER EEE C   1 ? 6  
ATOM   893  O O   . SER A 1 113 ? 21.909 16.922  -20.146 1.000 35.407  0 443 SER EEE O   1 ? 6  
ATOM   894  C CB  A SER A 1 113 ? 24.843 15.582  -19.993 0.500 32.118  0 443 SER EEE CB  1 ? 6  
ATOM   895  C CB  B SER A 1 113 ? 24.810 15.681  -20.055 0.500 33.069  0 443 SER EEE CB  1 ? 6  
ATOM   896  O OG  A SER A 1 113 ? 25.668 14.533  -20.482 0.500 29.885  0 443 SER EEE OG  1 ? 6  
ATOM   897  O OG  B SER A 1 113 ? 24.737 16.993  -20.599 0.500 33.544  0 443 SER EEE OG  1 ? 6  
ATOM   898  N N   . LYS A 1 114 ? 22.425 16.361  -17.995 1.000 38.910  0 444 LYS EEE N   1 ? 6  
ATOM   899  C CA  . LYS A 1 114 ? 21.641 17.439  -17.335 1.000 42.675  0 444 LYS EEE CA  1 ? 6  
ATOM   900  C C   . LYS A 1 114 ? 22.501 18.077  -16.249 1.000 42.417  0 444 LYS EEE C   1 ? 6  
ATOM   901  O O   . LYS A 1 114 ? 23.280 17.362  -15.585 1.000 38.505  0 444 LYS EEE O   1 ? 6  
ATOM   902  C CB  . LYS A 1 114 ? 20.346 16.898  -16.727 1.000 48.589  0 444 LYS EEE CB  1 ? 6  
ATOM   903  C CG  . LYS A 1 114 ? 19.492 16.092  -17.694 1.000 54.619  0 444 LYS EEE CG  1 ? 6  
ATOM   904  C CD  . LYS A 1 114 ? 18.030 16.014  -17.320 1.000 61.599  0 444 LYS EEE CD  1 ? 6  
ATOM   905  C CE  . LYS A 1 114 ? 17.135 15.826  -18.531 1.000 67.272  0 444 LYS EEE CE  1 ? 6  
ATOM   906  N NZ  . LYS A 1 114 ? 15.915 15.051  -18.197 1.000 72.497  0 444 LYS EEE NZ  1 ? 6  
ATOM   907  N N   . VAL A 1 115 ? 22.362 19.386  -16.066 1.000 43.152  0 445 VAL EEE N   1 ? 6  
ATOM   908  C CA  . VAL A 1 115 ? 22.940 20.071  -14.879 1.000 44.545  0 445 VAL EEE CA  1 ? 6  
ATOM   909  C C   . VAL A 1 115 ? 22.389 19.347  -13.648 1.000 44.838  0 445 VAL EEE C   1 ? 6  
ATOM   910  O O   . VAL A 1 115 ? 21.157 19.106  -13.591 1.000 44.990  0 445 VAL EEE O   1 ? 6  
ATOM   911  C CB  . VAL A 1 115 ? 22.630 21.578  -14.862 1.000 47.415  0 445 VAL EEE CB  1 ? 6  
ATOM   912  C CG1 . VAL A 1 115 ? 21.129 21.856  -14.866 1.000 50.438  0 445 VAL EEE CG1 1 ? 6  
ATOM   913  C CG2 . VAL A 1 115 ? 23.309 22.255  -13.678 1.000 48.666  0 445 VAL EEE CG2 1 ? 6  
ATOM   914  N N   . GLY A 1 116 ? 23.280 18.943  -12.745 1.000 44.978  0 446 GLY EEE N   1 ? 6  
ATOM   915  C CA  . GLY A 1 116 ? 22.921 18.160  -11.545 1.000 46.391  0 446 GLY EEE CA  1 ? 6  
ATOM   916  C C   . GLY A 1 116 ? 23.078 16.669  -11.772 1.000 44.309  0 446 GLY EEE C   1 ? 6  
ATOM   917  O O   . GLY A 1 116 ? 23.260 15.947  -10.788 1.000 44.659  0 446 GLY EEE O   1 ? 6  
ATOM   918  N N   . GLY A 1 117 ? 22.964 16.218  -13.022 1.000 42.424  0 447 GLY EEE N   1 ? 6  
ATOM   919  C CA  . GLY A 1 117 ? 23.145 14.809  -13.414 1.000 41.874  0 447 GLY EEE CA  1 ? 6  
ATOM   920  C C   . GLY A 1 117 ? 21.857 14.206  -13.936 1.000 41.882  0 447 GLY EEE C   1 ? 6  
ATOM   921  O O   . GLY A 1 117 ? 20.819 14.412  -13.316 1.000 42.135  0 447 GLY EEE O   1 ? 6  
ATOM   922  N N   . ASN A 1 118 ? 21.920 13.490  -15.055 1.000 41.166  0 448 ASN EEE N   1 ? 6  
ATOM   923  C CA  . ASN A 1 118 ? 20.805 12.642  -15.551 1.000 42.568  0 448 ASN EEE CA  1 ? 6  
ATOM   924  C C   . ASN A 1 118 ? 20.899 11.284  -14.851 1.000 43.864  0 448 ASN EEE C   1 ? 6  
ATOM   925  O O   . ASN A 1 118 ? 21.884 10.587  -15.104 1.000 45.199  0 448 ASN EEE O   1 ? 6  
ATOM   926  C CB  . ASN A 1 118 ? 20.867 12.473  -17.070 1.000 41.699  0 448 ASN EEE CB  1 ? 6  
ATOM   927  C CG  . ASN A 1 118 ? 19.655 11.786  -17.653 1.000 40.739  0 448 ASN EEE CG  1 ? 6  
ATOM   928  O OD1 . ASN A 1 118 ? 18.749 11.378  -16.932 1.000 43.825  0 448 ASN EEE OD1 1 ? 6  
ATOM   929  N ND2 . ASN A 1 118 ? 19.632 11.657  -18.963 1.000 39.178  0 448 ASN EEE ND2 1 ? 6  
ATOM   930  N N   . TYR A 1 119 ? 19.909 10.907  -14.043 1.000 45.161  0 449 TYR EEE N   1 ? 6  
ATOM   931  C CA  . TYR A 1 119 ? 19.909 9.599   -13.333 1.000 47.982  0 449 TYR EEE CA  1 ? 6  
ATOM   932  C C   . TYR A 1 119 ? 18.990 8.598   -14.045 1.000 46.545  0 449 TYR EEE C   1 ? 6  
ATOM   933  O O   . TYR A 1 119 ? 18.822 7.501   -13.505 1.000 48.141  0 449 TYR EEE O   1 ? 6  
ATOM   934  C CB  . TYR A 1 119 ? 19.644 9.823   -11.842 1.000 51.015  0 449 TYR EEE CB  1 ? 6  
ATOM   935  C CG  . TYR A 1 119 ? 20.725 10.683  -11.244 1.000 54.439  0 449 TYR EEE CG  1 ? 6  
ATOM   936  C CD1 . TYR A 1 119 ? 21.924 10.137  -10.809 1.000 54.634  0 449 TYR EEE CD1 1 ? 6  
ATOM   937  C CD2 . TYR A 1 119 ? 20.602 12.063  -11.237 1.000 55.798  0 449 TYR EEE CD2 1 ? 6  
ATOM   938  C CE1 . TYR A 1 119 ? 22.947 10.939  -10.323 1.000 56.618  0 449 TYR EEE CE1 1 ? 6  
ATOM   939  C CE2 . TYR A 1 119 ? 21.615 12.877  -10.759 1.000 57.984  0 449 TYR EEE CE2 1 ? 6  
ATOM   940  C CZ  . TYR A 1 119 ? 22.793 12.314  -10.304 1.000 57.778  0 449 TYR EEE CZ  1 ? 6  
ATOM   941  O OH  . TYR A 1 119 ? 23.786 13.135  -9.849  1.000 62.846  0 449 TYR EEE OH  1 ? 6  
ATOM   942  N N   . ASN A 1 120 ? 18.478 8.918   -15.240 1.000 45.018  0 450 ASN EEE N   1 ? 6  
ATOM   943  C CA  . ASN A 1 120 ? 17.597 7.998   -16.012 1.000 44.705  0 450 ASN EEE CA  1 ? 6  
ATOM   944  C C   . ASN A 1 120 ? 18.424 6.849   -16.599 1.000 41.519  0 450 ASN EEE C   1 ? 6  
ATOM   945  O O   . ASN A 1 120 ? 17.846 5.769   -16.780 1.000 42.912  0 450 ASN EEE O   1 ? 6  
ATOM   946  C CB  . ASN A 1 120 ? 16.818 8.682   -17.138 1.000 46.635  0 450 ASN EEE CB  1 ? 6  
ATOM   947  C CG  . ASN A 1 120 ? 15.628 9.485   -16.653 1.000 53.799  0 450 ASN EEE CG  1 ? 6  
ATOM   948  O OD1 . ASN A 1 120 ? 15.241 9.411   -15.488 1.000 57.072  0 450 ASN EEE OD1 1 ? 6  
ATOM   949  N ND2 . ASN A 1 120 ? 15.040 10.273  -17.542 1.000 57.133  0 450 ASN EEE ND2 1 ? 6  
ATOM   950  N N   . TYR A 1 121 ? 19.705 7.055   -16.908 1.000 36.956  0 451 TYR EEE N   1 ? 6  
ATOM   951  C CA  . TYR A 1 121 ? 20.534 6.015   -17.569 1.000 34.315  0 451 TYR EEE CA  1 ? 6  
ATOM   952  C C   . TYR A 1 121 ? 21.290 5.200   -16.525 1.000 34.956  0 451 TYR EEE C   1 ? 6  
ATOM   953  O O   . TYR A 1 121 ? 22.073 5.773   -15.732 1.000 33.000  0 451 TYR EEE O   1 ? 6  
ATOM   954  C CB  . TYR A 1 121 ? 21.514 6.603   -18.577 1.000 32.839  0 451 TYR EEE CB  1 ? 6  
ATOM   955  C CG  . TYR A 1 121 ? 20.848 7.133   -19.816 1.000 32.213  0 451 TYR EEE CG  1 ? 6  
ATOM   956  C CD1 . TYR A 1 121 ? 20.302 6.279   -20.760 1.000 31.122  0 451 TYR EEE CD1 1 ? 6  
ATOM   957  C CD2 . TYR A 1 121 ? 20.743 8.502   -20.036 1.000 32.790  0 451 TYR EEE CD2 1 ? 6  
ATOM   958  C CE1 . TYR A 1 121 ? 19.685 6.773   -21.900 1.000 31.472  0 451 TYR EEE CE1 1 ? 6  
ATOM   959  C CE2 . TYR A 1 121 ? 20.138 9.006   -21.173 1.000 32.146  0 451 TYR EEE CE2 1 ? 6  
ATOM   960  C CZ  . TYR A 1 121 ? 19.607 8.141   -22.111 1.000 32.330  0 451 TYR EEE CZ  1 ? 6  
ATOM   961  O OH  . TYR A 1 121 ? 19.028 8.658   -23.237 1.000 32.485  0 451 TYR EEE OH  1 ? 6  
ATOM   962  N N   . LEU A 1 122 ? 21.076 3.884   -16.584 1.000 34.650  0 452 LEU EEE N   1 ? 6  
ATOM   963  C CA  . LEU A 1 122 ? 21.632 2.899   -15.627 1.000 35.650  0 452 LEU EEE CA  1 ? 6  
ATOM   964  C C   . LEU A 1 122 ? 22.492 1.905   -16.391 1.000 33.874  0 452 LEU EEE C   1 ? 6  
ATOM   965  O O   . LEU A 1 122 ? 22.284 1.707   -17.613 1.000 32.852  0 452 LEU EEE O   1 ? 6  
ATOM   966  C CB  . LEU A 1 122 ? 20.500 2.159   -14.915 1.000 38.190  0 452 LEU EEE CB  1 ? 6  
ATOM   967  C CG  . LEU A 1 122 ? 19.414 3.023   -14.283 1.000 40.125  0 452 LEU EEE CG  1 ? 6  
ATOM   968  C CD1 . LEU A 1 122 ? 18.410 2.145   -13.567 1.000 42.828  0 452 LEU EEE CD1 1 ? 6  
ATOM   969  C CD2 . LEU A 1 122 ? 20.002 4.051   -13.327 1.000 41.003  0 452 LEU EEE CD2 1 ? 6  
ATOM   970  N N   . TYR A 1 123 ? 23.410 1.285   -15.667 1.000 33.244  0 453 TYR EEE N   1 ? 7  
ATOM   971  C CA  . TYR A 1 123 ? 24.148 0.086   -16.106 1.000 30.971  0 453 TYR EEE CA  1 ? 7  
ATOM   972  C C   . TYR A 1 123 ? 24.214 -0.865  -14.914 1.000 31.742  0 453 TYR EEE C   1 ? 7  
ATOM   973  O O   . TYR A 1 123 ? 24.030 -0.410  -13.766 1.000 31.221  0 453 TYR EEE O   1 ? 7  
ATOM   974  C CB  . TYR A 1 123 ? 25.542 0.477   -16.594 1.000 31.553  0 453 TYR EEE CB  1 ? 7  
ATOM   975  C CG  . TYR A 1 123 ? 26.457 0.950   -15.496 1.000 33.058  0 453 TYR EEE CG  1 ? 7  
ATOM   976  C CD1 . TYR A 1 123 ? 26.408 2.260   -15.048 1.000 34.742  0 453 TYR EEE CD1 1 ? 7  
ATOM   977  C CD2 . TYR A 1 123 ? 27.340 0.080   -14.873 1.000 33.165  0 453 TYR EEE CD2 1 ? 7  
ATOM   978  C CE1 . TYR A 1 123 ? 27.229 2.705   -14.025 1.000 37.019  0 453 TYR EEE CE1 1 ? 7  
ATOM   979  C CE2 . TYR A 1 123 ? 28.160 0.506   -13.839 1.000 35.161  0 453 TYR EEE CE2 1 ? 7  
ATOM   980  C CZ  . TYR A 1 123 ? 28.104 1.823   -13.414 1.000 37.773  0 453 TYR EEE CZ  1 ? 7  
ATOM   981  O OH  . TYR A 1 123 ? 28.908 2.271   -12.406 1.000 41.226  0 453 TYR EEE OH  1 ? 7  
ATOM   982  N N   . ARG A 1 124 ? 24.471 -2.142  -15.193 1.000 30.539  0 454 ARG EEE N   1 ? 7  
ATOM   983  C CA  . ARG A 1 124 ? 24.703 -3.187  -14.174 1.000 31.119  0 454 ARG EEE CA  1 ? 7  
ATOM   984  C C   . ARG A 1 124 ? 26.178 -3.157  -13.774 1.000 30.948  0 454 ARG EEE C   1 ? 7  
ATOM   985  O O   . ARG A 1 124 ? 27.027 -3.420  -14.634 1.000 29.546  0 454 ARG EEE O   1 ? 7  
ATOM   986  C CB  . ARG A 1 124 ? 24.321 -4.569  -14.711 1.000 31.152  0 454 ARG EEE CB  1 ? 7  
ATOM   987  C CG  . ARG A 1 124 ? 24.350 -5.670  -13.658 1.000 31.823  0 454 ARG EEE CG  1 ? 7  
ATOM   988  C CD  . ARG A 1 124 ? 23.745 -6.977  -14.147 1.000 32.103  0 454 ARG EEE CD  1 ? 7  
ATOM   989  N NE  . ARG A 1 124 ? 22.391 -6.751  -14.624 1.000 32.393  0 454 ARG EEE NE  1 ? 7  
ATOM   990  C CZ  . ARG A 1 124 ? 21.286 -6.745  -13.888 1.000 34.578  0 454 ARG EEE CZ  1 ? 7  
ATOM   991  N NH1 . ARG A 1 124 ? 21.305 -7.069  -12.598 1.000 36.226  0 454 ARG EEE NH1 1 ? 7  
ATOM   992  N NH2 . ARG A 1 124 ? 20.138 -6.467  -14.481 1.000 34.901  0 454 ARG EEE NH2 1 ? 7  
ATOM   993  N N   . LEU A 1 125 ? 26.454 -2.885  -12.500 1.000 31.793  0 455 LEU EEE N   1 ? 7  
ATOM   994  C CA  . LEU A 1 125 ? 27.831 -2.846  -11.940 1.000 31.696  0 455 LEU EEE CA  1 ? 7  
ATOM   995  C C   . LEU A 1 125 ? 28.202 -4.215  -11.353 1.000 32.110  0 455 LEU EEE C   1 ? 7  
ATOM   996  O O   . LEU A 1 125 ? 29.400 -4.535  -11.356 1.000 33.025  0 455 LEU EEE O   1 ? 7  
ATOM   997  C CB  . LEU A 1 125 ? 27.895 -1.747  -10.877 1.000 32.093  0 455 LEU EEE CB  1 ? 7  
ATOM   998  C CG  . LEU A 1 125 ? 29.244 -1.544  -10.186 1.000 33.019  0 455 LEU EEE CG  1 ? 7  
ATOM   999  C CD1 . LEU A 1 125 ? 30.344 -1.244  -11.179 1.000 31.931  0 455 LEU EEE CD1 1 ? 7  
ATOM   1000 C CD2 . LEU A 1 125 ? 29.160 -0.430  -9.139  1.000 34.101  0 455 LEU EEE CD2 1 ? 7  
ATOM   1001 N N   . PHE A 1 126 ? 27.225 -4.993  -10.889 1.000 33.134  0 456 PHE EEE N   1 ? 7  
ATOM   1002 C CA  . PHE A 1 126 ? 27.460 -6.293  -10.204 1.000 35.632  0 456 PHE EEE CA  1 ? 7  
ATOM   1003 C C   . PHE A 1 126 ? 26.692 -7.417  -10.892 1.000 36.112  0 456 PHE EEE C   1 ? 7  
ATOM   1004 O O   . PHE A 1 126 ? 25.495 -7.247  -11.192 1.000 37.384  0 456 PHE EEE O   1 ? 7  
ATOM   1005 C CB  . PHE A 1 126 ? 27.026 -6.243  -8.737  1.000 37.050  0 456 PHE EEE CB  1 ? 7  
ATOM   1006 C CG  . PHE A 1 126 ? 27.668 -5.146  -7.920  1.000 37.321  0 456 PHE EEE CG  1 ? 7  
ATOM   1007 C CD1 . PHE A 1 126 ? 28.932 -5.316  -7.371  1.000 38.273  0 456 PHE EEE CD1 1 ? 7  
ATOM   1008 C CD2 . PHE A 1 126 ? 27.005 -3.951  -7.691  1.000 36.958  0 456 PHE EEE CD2 1 ? 7  
ATOM   1009 C CE1 . PHE A 1 126 ? 29.521 -4.310  -6.613  1.000 39.617  0 456 PHE EEE CE1 1 ? 7  
ATOM   1010 C CE2 . PHE A 1 126 ? 27.595 -2.949  -6.933  1.000 37.724  0 456 PHE EEE CE2 1 ? 7  
ATOM   1011 C CZ  . PHE A 1 126 ? 28.853 -3.126  -6.402  1.000 38.384  0 456 PHE EEE CZ  1 ? 7  
ATOM   1012 N N   . ARG A 1 127 ? 27.359 -8.556  -11.072 1.000 37.456  0 457 ARG EEE N   1 ? 7  
ATOM   1013 C CA  . ARG A 1 127 ? 26.727 -9.796  -11.594 1.000 38.480  0 457 ARG EEE CA  1 ? 7  
ATOM   1014 C C   . ARG A 1 127 ? 27.574 -11.005 -11.183 1.000 39.528  0 457 ARG EEE C   1 ? 7  
ATOM   1015 O O   . ARG A 1 127 ? 28.825 -10.884 -11.075 1.000 39.264  0 457 ARG EEE O   1 ? 7  
ATOM   1016 C CB  . ARG A 1 127 ? 26.540 -9.677  -13.115 1.000 37.781  0 457 ARG EEE CB  1 ? 7  
ATOM   1017 C CG  . ARG A 1 127 ? 25.364 -10.476 -13.658 1.000 37.814  0 457 ARG EEE CG  1 ? 7  
ATOM   1018 C CD  . ARG A 1 127 ? 25.228 -10.408 -15.166 1.000 36.482  0 457 ARG EEE CD  1 ? 7  
ATOM   1019 N NE  . ARG A 1 127 ? 24.050 -11.162 -15.551 1.000 37.067  0 457 ARG EEE NE  1 ? 7  
ATOM   1020 C CZ  . ARG A 1 127 ? 24.057 -12.384 -16.097 1.000 38.307  0 457 ARG EEE CZ  1 ? 7  
ATOM   1021 N NH1 . ARG A 1 127 ? 25.193 -12.998 -16.394 1.000 37.049  0 457 ARG EEE NH1 1 ? 7  
ATOM   1022 N NH2 . ARG A 1 127 ? 22.910 -12.976 -16.361 1.000 38.823  0 457 ARG EEE NH2 1 ? 7  
ATOM   1023 N N   . LYS A 1 128 ? 26.921 -12.143 -10.957 1.000 41.701  0 458 LYS EEE N   1 ? 7  
ATOM   1024 C CA  . LYS A 1 128 ? 27.599 -13.367 -10.471 1.000 44.472  0 458 LYS EEE CA  1 ? 7  
ATOM   1025 C C   . LYS A 1 128 ? 28.348 -14.033 -11.634 1.000 42.862  0 458 LYS EEE C   1 ? 7  
ATOM   1026 O O   . LYS A 1 128 ? 29.267 -14.824 -11.355 1.000 43.931  0 458 LYS EEE O   1 ? 7  
ATOM   1027 C CB  . LYS A 1 128 ? 26.570 -14.287 -9.809  1.000 47.801  0 458 LYS EEE CB  1 ? 7  
ATOM   1028 C CG  . LYS A 1 128 ? 25.935 -13.716 -8.547  1.000 51.637  0 458 LYS EEE CG  1 ? 7  
ATOM   1029 C CD  . LYS A 1 128 ? 24.889 -14.623 -7.932  1.000 55.676  0 458 LYS EEE CD  1 ? 7  
ATOM   1030 C CE  . LYS A 1 128 ? 23.561 -14.516 -8.650  1.000 57.453  0 458 LYS EEE CE  1 ? 7  
ATOM   1031 N NZ  . LYS A 1 128 ? 22.677 -15.656 -8.315  1.000 61.085  0 458 LYS EEE NZ  1 ? 7  
ATOM   1032 N N   . SER A 1 129 ? 27.976 -13.743 -12.884 1.000 39.447  0 459 SER EEE N   1 ? 7  
ATOM   1033 C CA  . SER A 1 129 ? 28.575 -14.387 -14.084 1.000 38.674  0 459 SER EEE CA  1 ? 7  
ATOM   1034 C C   . SER A 1 129 ? 28.479 -13.444 -15.281 1.000 35.977  0 459 SER EEE C   1 ? 7  
ATOM   1035 O O   . SER A 1 129 ? 27.685 -12.494 -15.215 1.000 35.021  0 459 SER EEE O   1 ? 7  
ATOM   1036 C CB  . SER A 1 129 ? 27.903 -15.707 -14.381 1.000 40.366  0 459 SER EEE CB  1 ? 7  
ATOM   1037 O OG  . SER A 1 129 ? 26.549 -15.489 -14.754 1.000 40.073  0 459 SER EEE OG  1 ? 7  
ATOM   1038 N N   . ASN A 1 130 ? 29.230 -13.727 -16.344 1.000 34.455  0 460 ASN EEE N   1 ? 7  
ATOM   1039 C CA  . ASN A 1 130 ? 29.256 -12.891 -17.571 1.000 33.400  0 460 ASN EEE CA  1 ? 7  
ATOM   1040 C C   . ASN A 1 130 ? 28.052 -13.229 -18.438 1.000 32.346  0 460 ASN EEE C   1 ? 7  
ATOM   1041 O O   . ASN A 1 130 ? 27.603 -14.399 -18.415 1.000 32.653  0 460 ASN EEE O   1 ? 7  
ATOM   1042 C CB  . ASN A 1 130 ? 30.535 -13.079 -18.374 1.000 33.701  0 460 ASN EEE CB  1 ? 7  
ATOM   1043 C CG  . ASN A 1 130 ? 31.750 -12.571 -17.625 1.000 35.148  0 460 ASN EEE CG  1 ? 7  
ATOM   1044 O OD1 . ASN A 1 130 ? 31.630 -12.006 -16.549 1.000 36.433  0 460 ASN EEE OD1 1 ? 7  
ATOM   1045 N ND2 . ASN A 1 130 ? 32.919 -12.757 -18.209 1.000 37.148  0 460 ASN EEE ND2 1 ? 7  
ATOM   1046 N N   . LEU A 1 131 ? 27.585 -12.243 -19.202 1.000 30.537  0 461 LEU EEE N   1 ? 7  
ATOM   1047 C CA  . LEU A 1 131 ? 26.493 -12.448 -20.178 1.000 30.893  0 461 LEU EEE CA  1 ? 7  
ATOM   1048 C C   . LEU A 1 131 ? 27.030 -13.309 -21.313 1.000 30.837  0 461 LEU EEE C   1 ? 7  
ATOM   1049 O O   . LEU A 1 131 ? 28.212 -13.161 -21.677 1.000 30.509  0 461 LEU EEE O   1 ? 7  
ATOM   1050 C CB  . LEU A 1 131 ? 25.999 -11.115 -20.733 1.000 29.439  0 461 LEU EEE CB  1 ? 7  
ATOM   1051 C CG  . LEU A 1 131 ? 25.145 -10.266 -19.794 1.000 29.941  0 461 LEU EEE CG  1 ? 7  
ATOM   1052 C CD1 . LEU A 1 131 ? 24.770 -8.959  -20.466 1.000 28.361  0 461 LEU EEE CD1 1 ? 7  
ATOM   1053 C CD2 . LEU A 1 131 ? 23.898 -11.008 -19.351 1.000 31.452  0 461 LEU EEE CD2 1 ? 7  
ATOM   1054 N N   . LYS A 1 132 ? 26.168 -14.158 -21.855 1.000 32.035  0 462 LYS EEE N   1 ? 7  
ATOM   1055 C CA  . LYS A 1 132 ? 26.389 -14.812 -23.163 1.000 32.716  0 462 LYS EEE CA  1 ? 7  
ATOM   1056 C C   . LYS A 1 132 ? 26.124 -13.761 -24.232 1.000 31.138  0 462 LYS EEE C   1 ? 7  
ATOM   1057 O O   . LYS A 1 132 ? 25.506 -12.729 -23.956 1.000 29.841  0 462 LYS EEE O   1 ? 7  
ATOM   1058 C CB  . LYS A 1 132 ? 25.470 -16.019 -23.318 1.000 36.786  0 462 LYS EEE CB  1 ? 7  
ATOM   1059 C CG  . LYS A 1 132 ? 25.698 -17.107 -22.285 1.000 41.361  0 462 LYS EEE CG  1 ? 7  
ATOM   1060 C CD  . LYS A 1 132 ? 24.790 -18.293 -22.503 1.000 47.139  0 462 LYS EEE CD  1 ? 7  
ATOM   1061 C CE  . LYS A 1 132 ? 25.434 -19.604 -22.115 1.000 55.038  0 462 LYS EEE CE  1 ? 7  
ATOM   1062 N NZ  . LYS A 1 132 ? 24.889 -20.118 -20.837 1.000 63.337  0 462 LYS EEE NZ  1 ? 7  
ATOM   1063 N N   . PRO A 1 133 ? 26.617 -13.959 -25.469 1.000 30.175  0 463 PRO EEE N   1 ? 7  
ATOM   1064 C CA  . PRO A 1 133 ? 26.419 -12.961 -26.511 1.000 29.140  0 463 PRO EEE CA  1 ? 7  
ATOM   1065 C C   . PRO A 1 133 ? 24.923 -12.710 -26.747 1.000 29.714  0 463 PRO EEE C   1 ? 7  
ATOM   1066 O O   . PRO A 1 133 ? 24.156 -13.663 -26.834 1.000 28.843  0 463 PRO EEE O   1 ? 7  
ATOM   1067 C CB  . PRO A 1 133 ? 27.134 -13.560 -27.729 1.000 29.498  0 463 PRO EEE CB  1 ? 7  
ATOM   1068 C CG  . PRO A 1 133 ? 28.170 -14.474 -27.107 1.000 30.562  0 463 PRO EEE CG  1 ? 7  
ATOM   1069 C CD  . PRO A 1 133 ? 27.478 -15.063 -25.900 1.000 31.198  0 463 PRO EEE CD  1 ? 7  
ATOM   1070 N N   . PHE A 1 134 ? 24.553 -11.433 -26.819 1.000 28.237  0 464 PHE EEE N   1 ? 7  
ATOM   1071 C CA  . PHE A 1 134 ? 23.179 -10.930 -27.063 1.000 29.835  0 464 PHE EEE CA  1 ? 7  
ATOM   1072 C C   . PHE A 1 134 ? 22.241 -11.323 -25.928 1.000 31.034  0 464 PHE EEE C   1 ? 7  
ATOM   1073 O O   . PHE A 1 134 ? 21.030 -11.256 -26.136 1.000 33.472  0 464 PHE EEE O   1 ? 7  
ATOM   1074 C CB  . PHE A 1 134 ? 22.647 -11.397 -28.417 1.000 30.666  0 464 PHE EEE CB  1 ? 7  
ATOM   1075 C CG  . PHE A 1 134 ? 23.447 -10.887 -29.587 1.000 30.553  0 464 PHE EEE CG  1 ? 7  
ATOM   1076 C CD1 . PHE A 1 134 ? 23.693 -9.530  -29.754 1.000 30.278  0 464 PHE EEE CD1 1 ? 7  
ATOM   1077 C CD2 . PHE A 1 134 ? 23.930 -11.764 -30.539 1.000 31.726  0 464 PHE EEE CD2 1 ? 7  
ATOM   1078 C CE1 . PHE A 1 134 ? 24.438 -9.075  -30.827 1.000 30.001  0 464 PHE EEE CE1 1 ? 7  
ATOM   1079 C CE2 . PHE A 1 134 ? 24.653 -11.303 -31.623 1.000 31.005  0 464 PHE EEE CE2 1 ? 7  
ATOM   1080 C CZ  . PHE A 1 134 ? 24.901 -9.967  -31.771 1.000 30.479  0 464 PHE EEE CZ  1 ? 7  
ATOM   1081 N N   . GLU A 1 135 ? 22.770 -11.675 -24.758 1.000 32.199  0 465 GLU EEE N   1 ? 7  
ATOM   1082 C CA  . GLU A 1 135 ? 21.935 -11.940 -23.559 1.000 33.011  0 465 GLU EEE CA  1 ? 7  
ATOM   1083 C C   . GLU A 1 135 ? 21.541 -10.595 -22.931 1.000 32.590  0 465 GLU EEE C   1 ? 7  
ATOM   1084 O O   . GLU A 1 135 ? 22.340 -9.632  -23.018 1.000 30.170  0 465 GLU EEE O   1 ? 7  
ATOM   1085 C CB  . GLU A 1 135 ? 22.690 -12.826 -22.567 1.000 34.889  0 465 GLU EEE CB  1 ? 7  
ATOM   1086 C CG  . GLU A 1 135 ? 21.832 -13.351 -21.428 1.000 37.568  0 465 GLU EEE CG  1 ? 7  
ATOM   1087 C CD  . GLU A 1 135 ? 22.549 -14.306 -20.484 1.000 39.148  0 465 GLU EEE CD  1 ? 7  
ATOM   1088 O OE1 . GLU A 1 135 ? 23.750 -14.539 -20.669 1.000 37.496  0 465 GLU EEE OE1 1 ? 7  
ATOM   1089 O OE2 . GLU A 1 135 ? 21.909 -14.785 -19.536 1.000 43.654  0 465 GLU EEE OE2 1 ? 7  
ATOM   1090 N N   . ARG A 1 136 ? 20.343 -10.518 -22.351 1.000 32.808  0 466 ARG EEE N   1 ? 7  
ATOM   1091 C CA  . ARG A 1 136 ? 19.894 -9.311  -21.613 1.000 33.302  0 466 ARG EEE CA  1 ? 7  
ATOM   1092 C C   . ARG A 1 136 ? 19.491 -9.754  -20.211 1.000 33.996  0 466 ARG EEE C   1 ? 7  
ATOM   1093 O O   . ARG A 1 136 ? 18.862 -10.824 -20.073 1.000 36.418  0 466 ARG EEE O   1 ? 7  
ATOM   1094 C CB  . ARG A 1 136 ? 18.746 -8.597  -22.328 1.000 33.950  0 466 ARG EEE CB  1 ? 7  
ATOM   1095 C CG  . ARG A 1 136 ? 18.340 -7.293  -21.657 1.000 35.178  0 466 ARG EEE CG  1 ? 7  
ATOM   1096 C CD  . ARG A 1 136 ? 17.031 -6.726  -22.171 1.000 37.634  0 466 ARG EEE CD  1 ? 7  
ATOM   1097 N NE  . ARG A 1 136 ? 17.116 -6.439  -23.589 1.000 37.031  0 466 ARG EEE NE  1 ? 7  
ATOM   1098 C CZ  . ARG A 1 136 ? 16.602 -7.191  -24.570 1.000 39.339  0 466 ARG EEE CZ  1 ? 7  
ATOM   1099 N NH1 . ARG A 1 136 ? 15.906 -8.287  -24.306 1.000 40.748  0 466 ARG EEE NH1 1 ? 7  
ATOM   1100 N NH2 . ARG A 1 136 ? 16.765 -6.823  -25.831 1.000 37.526  0 466 ARG EEE NH2 1 ? 7  
ATOM   1101 N N   . ASP A 1 137 ? 19.908 -8.997  -19.206 1.000 33.228  0 467 ASP EEE N   1 ? 7  
ATOM   1102 C CA  . ASP A 1 137 ? 19.569 -9.251  -17.786 1.000 34.788  0 467 ASP EEE CA  1 ? 7  
ATOM   1103 C C   . ASP A 1 137 ? 18.928 -7.975  -17.267 1.000 35.326  0 467 ASP EEE C   1 ? 7  
ATOM   1104 O O   . ASP A 1 137 ? 19.632 -6.956  -17.252 1.000 34.148  0 467 ASP EEE O   1 ? 7  
ATOM   1105 C CB  . ASP A 1 137 ? 20.819 -9.614  -16.994 1.000 34.803  0 467 ASP EEE CB  1 ? 7  
ATOM   1106 C CG  . ASP A 1 137 ? 20.575 -9.976  -15.544 1.000 35.711  0 467 ASP EEE CG  1 ? 7  
ATOM   1107 O OD1 . ASP A 1 137 ? 19.427 -9.865  -15.086 1.000 36.837  0 467 ASP EEE OD1 1 ? 7  
ATOM   1108 O OD2 . ASP A 1 137 ? 21.545 -10.378 -14.894 1.000 38.104  0 467 ASP EEE OD2 1 ? 7  
ATOM   1109 N N   . ILE A 1 138 ? 17.635 -8.006  -16.945 1.000 37.097  0 468 ILE EEE N   1 ? 7  
ATOM   1110 C CA  . ILE A 1 138 ? 16.936 -6.806  -16.392 1.000 38.243  0 468 ILE EEE CA  1 ? 7  
ATOM   1111 C C   . ILE A 1 138 ? 16.498 -7.093  -14.954 1.000 40.058  0 468 ILE EEE C   1 ? 7  
ATOM   1112 O O   . ILE A 1 138 ? 15.598 -6.391  -14.469 1.000 41.745  0 468 ILE EEE O   1 ? 7  
ATOM   1113 C CB  . ILE A 1 138 ? 15.769 -6.388  -17.302 1.000 39.683  0 468 ILE EEE CB  1 ? 7  
ATOM   1114 C CG1 . ILE A 1 138 ? 14.635 -7.416  -17.309 1.000 42.540  0 468 ILE EEE CG1 1 ? 7  
ATOM   1115 C CG2 . ILE A 1 138 ? 16.289 -6.110  -18.699 1.000 38.091  0 468 ILE EEE CG2 1 ? 7  
ATOM   1116 C CD1 . ILE A 1 138 ? 13.365 -6.911  -17.940 1.000 44.484  0 468 ILE EEE CD1 1 ? 7  
ATOM   1117 N N   . SER A 1 139 ? 17.136 -8.060  -14.293 1.000 39.244  0 469 SER EEE N   1 ? 7  
ATOM   1118 C CA  . SER A 1 139 ? 16.803 -8.465  -12.902 1.000 41.480  0 469 SER EEE CA  1 ? 7  
ATOM   1119 C C   . SER A 1 139 ? 17.339 -7.389  -11.948 1.000 41.266  0 469 SER EEE C   1 ? 7  
ATOM   1120 O O   . SER A 1 139 ? 18.328 -6.711  -12.307 1.000 40.042  0 469 SER EEE O   1 ? 7  
ATOM   1121 C CB  . SER A 1 139 ? 17.317 -9.851  -12.575 1.000 40.501  0 469 SER EEE CB  1 ? 7  
ATOM   1122 O OG  . SER A 1 139 ? 18.738 -9.882  -12.512 1.000 39.096  0 469 SER EEE OG  1 ? 7  
ATOM   1123 N N   . THR A 1 140 ? 16.685 -7.212  -10.799 1.000 43.292  0 470 THR EEE N   1 ? 7  
ATOM   1124 C CA  . THR A 1 140 ? 17.002 -6.156  -9.806  1.000 43.746  0 470 THR EEE CA  1 ? 7  
ATOM   1125 C C   . THR A 1 140 ? 17.226 -6.787  -8.429  1.000 46.290  0 470 THR EEE C   1 ? 7  
ATOM   1126 O O   . THR A 1 140 ? 16.883 -6.160  -7.433  1.000 46.921  0 470 THR EEE O   1 ? 7  
ATOM   1127 C CB  . THR A 1 140 ? 15.893 -5.097  -9.795  1.000 45.105  0 470 THR EEE CB  1 ? 7  
ATOM   1128 O OG1 . THR A 1 140 ? 14.648 -5.762  -9.586  1.000 46.474  0 470 THR EEE OG1 1 ? 7  
ATOM   1129 C CG2 . THR A 1 140 ? 15.828 -4.308  -11.084 1.000 43.366  0 470 THR EEE CG2 1 ? 7  
ATOM   1130 N N   . GLU A 1 141 ? 17.799 -7.984  -8.378  1.000 48.331  0 471 GLU EEE N   1 ? 7  
ATOM   1131 C CA  . GLU A 1 141 ? 18.057 -8.702  -7.111  1.000 49.340  0 471 GLU EEE CA  1 ? 7  
ATOM   1132 C C   . GLU A 1 141 ? 19.282 -8.071  -6.444  1.000 46.755  0 471 GLU EEE C   1 ? 7  
ATOM   1133 O O   . GLU A 1 141 ? 20.200 -7.649  -7.156  1.000 43.117  0 471 GLU EEE O   1 ? 7  
ATOM   1134 C CB  . GLU A 1 141 ? 18.162 -10.195 -7.404  1.000 53.512  0 471 GLU EEE CB  1 ? 7  
ATOM   1135 C CG  . GLU A 1 141 ? 16.851 -10.763 -7.923  1.000 57.518  0 471 GLU EEE CG  1 ? 7  
ATOM   1136 C CD  . GLU A 1 141 ? 16.949 -12.126 -8.579  1.000 61.512  0 471 GLU EEE CD  1 ? 7  
ATOM   1137 O OE1 . GLU A 1 141 ? 17.193 -13.114 -7.853  1.000 65.863  0 471 GLU EEE OE1 1 ? 7  
ATOM   1138 O OE2 . GLU A 1 141 ? 16.776 -12.196 -9.813  1.000 65.671  0 471 GLU EEE OE2 1 ? 7  
ATOM   1139 N N   . ILE A 1 142 ? 19.259 -7.942  -5.119  1.000 46.733  0 472 ILE EEE N   1 ? 7  
ATOM   1140 C CA  . ILE A 1 142 ? 20.355 -7.281  -4.354  1.000 45.865  0 472 ILE EEE CA  1 ? 7  
ATOM   1141 C C   . ILE A 1 142 ? 21.580 -8.191  -4.428  1.000 44.376  0 472 ILE EEE C   1 ? 7  
ATOM   1142 O O   . ILE A 1 142 ? 21.418 -9.382  -4.182  1.000 44.423  0 472 ILE EEE O   1 ? 7  
ATOM   1143 C CB  . ILE A 1 142 ? 19.926 -7.022  -2.897  1.000 48.388  0 472 ILE EEE CB  1 ? 7  
ATOM   1144 C CG1 . ILE A 1 142 ? 18.705 -6.098  -2.814  1.000 49.888  0 472 ILE EEE CG1 1 ? 7  
ATOM   1145 C CG2 . ILE A 1 142 ? 21.099 -6.498  -2.081  1.000 48.839  0 472 ILE EEE CG2 1 ? 7  
ATOM   1146 C CD1 . ILE A 1 142 ? 18.914 -4.725  -3.421  1.000 49.165  0 472 ILE EEE CD1 1 ? 7  
ATOM   1147 N N   . TYR A 1 143 ? 22.758 -7.638  -4.710  1.000 42.631  0 473 TYR EEE N   1 ? 7  
ATOM   1148 C CA  . TYR A 1 143 ? 24.011 -8.405  -4.928  1.000 43.154  0 473 TYR EEE CA  1 ? 7  
ATOM   1149 C C   . TYR A 1 143 ? 24.764 -8.547  -3.608  1.000 45.552  0 473 TYR EEE C   1 ? 7  
ATOM   1150 O O   . TYR A 1 143 ? 25.016 -7.512  -2.961  1.000 47.170  0 473 TYR EEE O   1 ? 7  
ATOM   1151 C CB  . TYR A 1 143 ? 24.884 -7.715  -5.978  1.000 40.382  0 473 TYR EEE CB  1 ? 7  
ATOM   1152 C CG  . TYR A 1 143 ? 26.165 -8.428  -6.329  1.000 40.005  0 473 TYR EEE CG  1 ? 7  
ATOM   1153 C CD1 . TYR A 1 143 ? 26.188 -9.437  -7.279  1.000 40.224  0 473 TYR EEE CD1 1 ? 7  
ATOM   1154 C CD2 . TYR A 1 143 ? 27.372 -8.064  -5.761  1.000 40.998  0 473 TYR EEE CD2 1 ? 7  
ATOM   1155 C CE1 . TYR A 1 143 ? 27.368 -10.076 -7.641  1.000 40.140  0 473 TYR EEE CE1 1 ? 7  
ATOM   1156 C CE2 . TYR A 1 143 ? 28.557 -8.707  -6.092  1.000 41.108  0 473 TYR EEE CE2 1 ? 7  
ATOM   1157 C CZ  . TYR A 1 143 ? 28.560 -9.704  -7.050  1.000 40.368  0 473 TYR EEE CZ  1 ? 7  
ATOM   1158 O OH  . TYR A 1 143 ? 29.733 -10.304 -7.413  1.000 40.419  0 473 TYR EEE OH  1 ? 7  
ATOM   1159 N N   . GLN A 1 144 ? 25.114 -9.780  -3.246  1.000 46.998  0 474 GLN EEE N   1 ? 7  
ATOM   1160 C CA  . GLN A 1 144 ? 25.931 -10.096 -2.049  1.000 49.299  0 474 GLN EEE CA  1 ? 7  
ATOM   1161 C C   . GLN A 1 144 ? 27.409 -9.904  -2.403  1.000 48.180  0 474 GLN EEE C   1 ? 7  
ATOM   1162 O O   . GLN A 1 144 ? 27.947 -10.734 -3.134  1.000 47.192  0 474 GLN EEE O   1 ? 7  
ATOM   1163 C CB  . GLN A 1 144 ? 25.672 -11.523 -1.549  1.000 51.858  0 474 GLN EEE CB  1 ? 7  
ATOM   1164 C CG  . GLN A 1 144 ? 26.408 -11.811 -0.252  1.000 54.530  0 474 GLN EEE CG  1 ? 7  
ATOM   1165 C CD  . GLN A 1 144 ? 26.084 -13.144 0.378   1.000 57.752  0 474 GLN EEE CD  1 ? 7  
ATOM   1166 O OE1 . GLN A 1 144 ? 25.011 -13.715 0.192   1.000 58.010  0 474 GLN EEE OE1 1 ? 7  
ATOM   1167 N NE2 . GLN A 1 144 ? 27.028 -13.641 1.155   1.000 59.620  0 474 GLN EEE NE2 1 ? 7  
ATOM   1168 N N   . ALA A 1 145 ? 28.050 -8.869  -1.866  1.000 47.770  0 475 ALA EEE N   1 ? 7  
ATOM   1169 C CA  . ALA A 1 145 ? 29.472 -8.553  -2.128  1.000 48.239  0 475 ALA EEE CA  1 ? 7  
ATOM   1170 C C   . ALA A 1 145 ? 30.358 -9.013  -0.964  1.000 51.127  0 475 ALA EEE C   1 ? 7  
ATOM   1171 O O   . ALA A 1 145 ? 31.592 -9.025  -1.162  1.000 51.738  0 475 ALA EEE O   1 ? 7  
ATOM   1172 C CB  . ALA A 1 145 ? 29.621 -7.073  -2.375  1.000 46.705  0 475 ALA EEE CB  1 ? 7  
ATOM   1173 N N   . GLY A 1 146 ? 29.748 -9.354  0.185   1.000 53.263  0 476 GLY EEE N   1 ? 7  
ATOM   1174 C CA  . GLY A 1 146 ? 30.405 -9.753  1.449   1.000 55.880  0 476 GLY EEE CA  1 ? 7  
ATOM   1175 C C   . GLY A 1 146 ? 30.007 -11.165 1.854   1.000 57.811  0 476 GLY EEE C   1 ? 7  
ATOM   1176 O O   . GLY A 1 146 ? 29.489 -11.906 0.991   1.000 56.344  0 476 GLY EEE O   1 ? 7  
ATOM   1177 N N   . SER A 1 147 ? 30.235 -11.540 3.114   1.000 61.138  0 477 SER EEE N   1 ? 7  
ATOM   1178 C CA  . SER A 1 147 ? 29.971 -12.909 3.639   1.000 64.135  0 477 SER EEE CA  1 ? 7  
ATOM   1179 C C   . SER A 1 147 ? 28.533 -13.024 4.168   1.000 65.727  0 477 SER EEE C   1 ? 7  
ATOM   1180 O O   . SER A 1 147 ? 28.073 -14.168 4.298   1.000 66.701  0 477 SER EEE O   1 ? 7  
ATOM   1181 C CB  . SER A 1 147 ? 30.975 -13.297 4.696   1.000 66.210  0 477 SER EEE CB  1 ? 7  
ATOM   1182 O OG  . SER A 1 147 ? 30.927 -12.394 5.787   1.000 66.671  0 477 SER EEE OG  1 ? 7  
ATOM   1183 N N   . THR A 1 148 ? 27.839 -11.901 4.417   1.000 64.556  0 478 THR EEE N   1 ? 7  
ATOM   1184 C CA  . THR A 1 148 ? 26.518 -11.861 5.109   1.000 65.518  0 478 THR EEE CA  1 ? 7  
ATOM   1185 C C   . THR A 1 148 ? 25.362 -11.837 4.102   1.000 62.347  0 478 THR EEE C   1 ? 7  
ATOM   1186 O O   . THR A 1 148 ? 25.430 -11.111 3.113   1.000 59.807  0 478 THR EEE O   1 ? 7  
ATOM   1187 C CB  . THR A 1 148 ? 26.446 -10.656 6.053   1.000 65.975  0 478 THR EEE CB  1 ? 7  
ATOM   1188 O OG1 . THR A 1 148 ? 26.423 -9.498  5.223   1.000 66.080  0 478 THR EEE OG1 1 ? 7  
ATOM   1189 C CG2 . THR A 1 148 ? 27.608 -10.584 7.020   1.000 67.973  0 478 THR EEE CG2 1 ? 7  
ATOM   1190 N N   . PRO A 1 149 ? 24.258 -12.600 4.334   1.000 61.898  0 479 PRO EEE N   1 ? 7  
ATOM   1191 C CA  . PRO A 1 149 ? 23.091 -12.601 3.443   1.000 60.658  0 479 PRO EEE CA  1 ? 7  
ATOM   1192 C C   . PRO A 1 149 ? 22.368 -11.248 3.380   1.000 59.307  0 479 PRO EEE C   1 ? 7  
ATOM   1193 O O   . PRO A 1 149 ? 22.371 -10.560 4.361   1.000 60.819  0 479 PRO EEE O   1 ? 7  
ATOM   1194 C CB  . PRO A 1 149 ? 22.106 -13.614 4.054   1.000 63.314  0 479 PRO EEE CB  1 ? 7  
ATOM   1195 C CG  . PRO A 1 149 ? 22.908 -14.386 5.083   1.000 65.115  0 479 PRO EEE CG  1 ? 7  
ATOM   1196 C CD  . PRO A 1 149 ? 24.059 -13.488 5.491   1.000 64.371  0 479 PRO EEE CD  1 ? 7  
ATOM   1197 N N   . CYS A 1 150 ? 21.743 -10.921 2.248   1.000 57.722  0 480 CYS EEE N   1 ? 7  
ATOM   1198 C CA  . CYS A 1 150 ? 21.110 -9.600  1.998   1.000 57.498  0 480 CYS EEE CA  1 ? 7  
ATOM   1199 C C   . CYS A 1 150 ? 19.602 -9.640  2.291   1.000 58.666  0 480 CYS EEE C   1 ? 7  
ATOM   1200 O O   . CYS A 1 150 ? 19.081 -8.598  2.718   1.000 58.625  0 480 CYS EEE O   1 ? 7  
ATOM   1201 C CB  . CYS A 1 150 ? 21.417 -9.127  0.581   1.000 54.983  0 480 CYS EEE CB  1 ? 7  
ATOM   1202 S SG  . CYS A 1 150 ? 23.198 -9.042  0.238   1.000 53.989  0 480 CYS EEE SG  1 ? 7  
ATOM   1203 N N   . ASN A 1 151 ? 18.939 -10.792 2.115   1.000 60.028  0 481 ASN EEE N   1 ? 7  
ATOM   1204 C CA  . ASN A 1 151 ? 17.480 -10.992 2.362   1.000 61.530  0 481 ASN EEE CA  1 ? 7  
ATOM   1205 C C   . ASN A 1 151 ? 16.672 -10.010 1.495   1.000 60.088  0 481 ASN EEE C   1 ? 7  
ATOM   1206 O O   . ASN A 1 151 ? 15.625 -9.507  1.962   1.000 60.861  0 481 ASN EEE O   1 ? 7  
ATOM   1207 C CB  . ASN A 1 151 ? 17.106 -10.839 3.842   1.000 64.496  0 481 ASN EEE CB  1 ? 7  
ATOM   1208 C CG  . ASN A 1 151 ? 17.603 -11.956 4.739   1.000 66.389  0 481 ASN EEE CG  1 ? 7  
ATOM   1209 O OD1 . ASN A 1 151 ? 18.144 -12.963 4.286   1.000 65.861  0 481 ASN EEE OD1 1 ? 7  
ATOM   1210 N ND2 . ASN A 1 151 ? 17.413 -11.782 6.030   1.000 69.981  0 481 ASN EEE ND2 1 ? 7  
ATOM   1211 N N   . GLY A 1 152 ? 17.145 -9.739  0.278   1.000 57.875  0 482 GLY EEE N   1 ? 7  
ATOM   1212 C CA  . GLY A 1 152 ? 16.503 -8.821  -0.682  1.000 57.008  0 482 GLY EEE CA  1 ? 7  
ATOM   1213 C C   . GLY A 1 152 ? 16.493 -7.364  -0.216  1.000 57.304  0 482 GLY EEE C   1 ? 7  
ATOM   1214 O O   . GLY A 1 152 ? 15.640 -6.612  -0.717  1.000 56.649  0 482 GLY EEE O   1 ? 7  
ATOM   1215 N N   . VAL A 1 153 ? 17.401 -6.955  0.680   1.000 57.352  0 483 VAL EEE N   1 ? 7  
ATOM   1216 C CA  . VAL A 1 153 ? 17.475 -5.545  1.183   1.000 57.650  0 483 VAL EEE CA  1 ? 7  
ATOM   1217 C C   . VAL A 1 153 ? 18.899 -5.001  1.014   1.000 56.034  0 483 VAL EEE C   1 ? 7  
ATOM   1218 O O   . VAL A 1 153 ? 19.861 -5.745  1.255   1.000 54.214  0 483 VAL EEE O   1 ? 7  
ATOM   1219 C CB  . VAL A 1 153 ? 16.990 -5.426  2.643   1.000 61.343  0 483 VAL EEE CB  1 ? 7  
ATOM   1220 C CG1 . VAL A 1 153 ? 15.546 -5.886  2.791   1.000 63.621  0 483 VAL EEE CG1 1 ? 7  
ATOM   1221 C CG2 . VAL A 1 153 ? 17.876 -6.171  3.630   1.000 61.939  0 483 VAL EEE CG2 1 ? 7  
ATOM   1222 N N   . LYS A 1 154 ? 19.014 -3.731  0.608   1.000 57.861  0 484 LYS EEE N   1 ? 7  
ATOM   1223 C CA  . LYS A 1 154 ? 20.300 -2.985  0.504   1.000 58.279  0 484 LYS EEE CA  1 ? 7  
ATOM   1224 C C   . LYS A 1 154 ? 20.935 -2.902  1.895   1.000 58.637  0 484 LYS EEE C   1 ? 7  
ATOM   1225 O O   . LYS A 1 154 ? 20.193 -2.980  2.887   1.000 61.100  0 484 LYS EEE O   1 ? 7  
ATOM   1226 C CB  . LYS A 1 154 ? 20.095 -1.557  -0.015  1.000 58.706  0 484 LYS EEE CB  1 ? 7  
ATOM   1227 C CG  . LYS A 1 154 ? 19.373 -1.437  -1.348  1.000 60.540  0 484 LYS EEE CG  1 ? 7  
ATOM   1228 C CD  . LYS A 1 154 ? 19.501 -0.063  -1.973  1.000 60.802  0 484 LYS EEE CD  1 ? 7  
ATOM   1229 C CE  . LYS A 1 154 ? 18.858 1.027   -1.143  1.000 64.424  0 484 LYS EEE CE  1 ? 7  
ATOM   1230 N NZ  . LYS A 1 154 ? 18.861 2.320   -1.870  1.000 66.049  0 484 LYS EEE NZ  1 ? 7  
ATOM   1231 N N   . GLY A 1 155 ? 22.256 -2.727  1.951   1.000 57.909  0 485 GLY EEE N   1 ? 7  
ATOM   1232 C CA  . GLY A 1 155 ? 23.007 -2.548  3.206   1.000 59.439  0 485 GLY EEE CA  1 ? 7  
ATOM   1233 C C   . GLY A 1 155 ? 24.491 -2.755  2.994   1.000 58.471  0 485 GLY EEE C   1 ? 7  
ATOM   1234 O O   . GLY A 1 155 ? 24.925 -2.737  1.833   1.000 58.427  0 485 GLY EEE O   1 ? 7  
ATOM   1235 N N   . PHE A 1 156 ? 25.237 -2.943  4.081   1.000 59.937  0 486 PHE EEE N   1 ? 7  
ATOM   1236 C CA  . PHE A 1 156 ? 26.703 -3.185  4.073   1.000 59.994  0 486 PHE EEE CA  1 ? 7  
ATOM   1237 C C   . PHE A 1 156 ? 26.997 -4.402  3.187   1.000 57.894  0 486 PHE EEE C   1 ? 7  
ATOM   1238 O O   . PHE A 1 156 ? 26.448 -5.493  3.456   1.000 57.430  0 486 PHE EEE O   1 ? 7  
ATOM   1239 C CB  . PHE A 1 156 ? 27.227 -3.380  5.499   1.000 63.557  0 486 PHE EEE CB  1 ? 7  
ATOM   1240 C CG  . PHE A 1 156 ? 26.900 -2.250  6.445   1.000 65.984  0 486 PHE EEE CG  1 ? 7  
ATOM   1241 C CD1 . PHE A 1 156 ? 27.346 -0.961  6.190   1.000 66.301  0 486 PHE EEE CD1 1 ? 7  
ATOM   1242 C CD2 . PHE A 1 156 ? 26.132 -2.472  7.578   1.000 69.322  0 486 PHE EEE CD2 1 ? 7  
ATOM   1243 C CE1 . PHE A 1 156 ? 27.042 0.081   7.056   1.000 67.876  0 486 PHE EEE CE1 1 ? 7  
ATOM   1244 C CE2 . PHE A 1 156 ? 25.825 -1.429  8.440   1.000 71.653  0 486 PHE EEE CE2 1 ? 7  
ATOM   1245 C CZ  . PHE A 1 156 ? 26.277 -0.154  8.174   1.000 71.034  0 486 PHE EEE CZ  1 ? 7  
ATOM   1246 N N   . ASN A 1 157 ? 27.808 -4.196  2.148   1.000 55.332  0 487 ASN EEE N   1 ? 7  
ATOM   1247 C CA  . ASN A 1 157 ? 28.301 -5.241  1.211   1.000 53.593  0 487 ASN EEE CA  1 ? 7  
ATOM   1248 C C   . ASN A 1 157 ? 27.109 -5.915  0.510   1.000 51.897  0 487 ASN EEE C   1 ? 7  
ATOM   1249 O O   . ASN A 1 157 ? 27.287 -7.033  -0.017  1.000 50.913  0 487 ASN EEE O   1 ? 7  
ATOM   1250 C CB  . ASN A 1 157 ? 29.222 -6.213  1.956   1.000 55.289  0 487 ASN EEE CB  1 ? 7  
ATOM   1251 C CG  . ASN A 1 157 ? 30.313 -5.489  2.721   1.000 56.599  0 487 ASN EEE CG  1 ? 7  
ATOM   1252 O OD1 . ASN A 1 157 ? 31.136 -4.778  2.143   1.000 55.024  0 487 ASN EEE OD1 1 ? 7  
ATOM   1253 N ND2 . ASN A 1 157 ? 30.314 -5.633  4.031   1.000 57.947  0 487 ASN EEE ND2 1 ? 7  
ATOM   1254 N N   . CYS A 1 158 ? 25.950 -5.250  0.491   1.000 50.341  0 488 CYS EEE N   1 ? 7  
ATOM   1255 C CA  . CYS A 1 158 ? 24.686 -5.713  -0.143  1.000 50.458  0 488 CYS EEE CA  1 ? 7  
ATOM   1256 C C   . CYS A 1 158 ? 24.182 -4.573  -1.036  1.000 49.242  0 488 CYS EEE C   1 ? 7  
ATOM   1257 O O   . CYS A 1 158 ? 23.606 -3.603  -0.490  1.000 50.503  0 488 CYS EEE O   1 ? 7  
ATOM   1258 C CB  . CYS A 1 158 ? 23.639 -6.099  0.900   1.000 53.065  0 488 CYS EEE CB  1 ? 7  
ATOM   1259 S SG  . CYS A 1 158 ? 23.892 -7.725  1.667   1.000 55.142  0 488 CYS EEE SG  1 ? 7  
ATOM   1260 N N   . TYR A 1 159 ? 24.453 -4.646  -2.344  1.000 46.730  0 489 TYR EEE N   1 ? 7  
ATOM   1261 C CA  . TYR A 1 159 ? 24.332 -3.503  -3.289  1.000 45.770  0 489 TYR EEE CA  1 ? 7  
ATOM   1262 C C   . TYR A 1 159 ? 23.192 -3.743  -4.285  1.000 45.199  0 489 TYR EEE C   1 ? 7  
ATOM   1263 O O   . TYR A 1 159 ? 23.079 -4.864  -4.833  1.000 45.357  0 489 TYR EEE O   1 ? 7  
ATOM   1264 C CB  . TYR A 1 159 ? 25.652 -3.284  -4.030  1.000 43.835  0 489 TYR EEE CB  1 ? 7  
ATOM   1265 C CG  . TYR A 1 159 ? 26.829 -2.977  -3.137  1.000 45.595  0 489 TYR EEE CG  1 ? 7  
ATOM   1266 C CD1 . TYR A 1 159 ? 26.824 -1.860  -2.316  1.000 46.738  0 489 TYR EEE CD1 1 ? 7  
ATOM   1267 C CD2 . TYR A 1 159 ? 27.953 -3.793  -3.111  1.000 45.376  0 489 TYR EEE CD2 1 ? 7  
ATOM   1268 C CE1 . TYR A 1 159 ? 27.899 -1.559  -1.496  1.000 47.928  0 489 TYR EEE CE1 1 ? 7  
ATOM   1269 C CE2 . TYR A 1 159 ? 29.037 -3.503  -2.298  1.000 46.938  0 489 TYR EEE CE2 1 ? 7  
ATOM   1270 C CZ  . TYR A 1 159 ? 29.009 -2.384  -1.484  1.000 47.845  0 489 TYR EEE CZ  1 ? 7  
ATOM   1271 O OH  . TYR A 1 159 ? 30.062 -2.081  -0.666  1.000 49.658  0 489 TYR EEE OH  1 ? 7  
ATOM   1272 N N   . PHE A 1 160 ? 22.372 -2.715  -4.528  1.000 44.921  0 490 PHE EEE N   1 ? 7  
ATOM   1273 C CA  . PHE A 1 160 ? 21.450 -2.683  -5.691  1.000 43.910  0 490 PHE EEE CA  1 ? 7  
ATOM   1274 C C   . PHE A 1 160 ? 22.345 -2.887  -6.910  1.000 41.119  0 490 PHE EEE C   1 ? 7  
ATOM   1275 O O   . PHE A 1 160 ? 23.407 -2.281  -6.985  1.000 40.293  0 490 PHE EEE O   1 ? 7  
ATOM   1276 C CB  . PHE A 1 160 ? 20.616 -1.396  -5.719  1.000 44.747  0 490 PHE EEE CB  1 ? 7  
ATOM   1277 C CG  . PHE A 1 160 ? 19.415 -1.464  -6.630  1.000 44.761  0 490 PHE EEE CG  1 ? 7  
ATOM   1278 C CD1 . PHE A 1 160 ? 18.241 -2.069  -6.210  1.000 46.968  0 490 PHE EEE CD1 1 ? 7  
ATOM   1279 C CD2 . PHE A 1 160 ? 19.470 -0.962  -7.921  1.000 43.703  0 490 PHE EEE CD2 1 ? 7  
ATOM   1280 C CE1 . PHE A 1 160 ? 17.143 -2.160  -7.052  1.000 47.433  0 490 PHE EEE CE1 1 ? 7  
ATOM   1281 C CE2 . PHE A 1 160 ? 18.364 -1.030  -8.751  1.000 44.585  0 490 PHE EEE CE2 1 ? 7  
ATOM   1282 C CZ  . PHE A 1 160 ? 17.202 -1.627  -8.319  1.000 45.980  0 490 PHE EEE CZ  1 ? 7  
ATOM   1283 N N   . PRO A 1 161 ? 22.031 -3.832  -7.822  1.000 40.426  0 491 PRO EEE N   1 ? 7  
ATOM   1284 C CA  . PRO A 1 161 ? 22.965 -4.198  -8.887  1.000 38.679  0 491 PRO EEE CA  1 ? 7  
ATOM   1285 C C   . PRO A 1 161 ? 23.107 -3.145  -9.998  1.000 36.780  0 491 PRO EEE C   1 ? 7  
ATOM   1286 O O   . PRO A 1 161 ? 24.135 -3.173  -10.649 1.000 35.354  0 491 PRO EEE O   1 ? 7  
ATOM   1287 C CB  . PRO A 1 161 ? 22.350 -5.481  -9.450  1.000 39.604  0 491 PRO EEE CB  1 ? 7  
ATOM   1288 C CG  . PRO A 1 161 ? 20.866 -5.294  -9.220  1.000 41.044  0 491 PRO EEE CG  1 ? 7  
ATOM   1289 C CD  . PRO A 1 161 ? 20.782 -4.609  -7.873  1.000 41.644  0 491 PRO EEE CD  1 ? 7  
ATOM   1290 N N   . LEU A 1 162 ? 22.089 -2.296  -10.203 1.000 41.514  0 492 LEU EEE N   1 ? 8  
ATOM   1291 C CA  . LEU A 1 162 ? 22.097 -1.208  -11.227 1.000 39.909  0 492 LEU EEE CA  1 ? 8  
ATOM   1292 C C   . LEU A 1 162 ? 22.592 0.090   -10.592 1.000 40.649  0 492 LEU EEE C   1 ? 8  
ATOM   1293 O O   . LEU A 1 162 ? 22.201 0.374   -9.439  1.000 43.626  0 492 LEU EEE O   1 ? 8  
ATOM   1294 C CB  . LEU A 1 162 ? 20.696 -0.987  -11.804 1.000 39.152  0 492 LEU EEE CB  1 ? 8  
ATOM   1295 C CG  . LEU A 1 162 ? 19.978 -2.213  -12.356 1.000 39.740  0 492 LEU EEE CG  1 ? 8  
ATOM   1296 C CD1 . LEU A 1 162 ? 18.706 -1.774  -13.059 1.000 39.690  0 492 LEU EEE CD1 1 ? 8  
ATOM   1297 C CD2 . LEU A 1 162 ? 20.870 -3.014  -13.297 1.000 38.095  0 492 LEU EEE CD2 1 ? 8  
ATOM   1298 N N   . GLN A 1 163 ? 23.406 0.846   -11.328 1.000 39.301  0 493 GLN EEE N   1 ? 8  
ATOM   1299 C CA  . GLN A 1 163 ? 23.997 2.125   -10.875 1.000 40.845  0 493 GLN EEE CA  1 ? 8  
ATOM   1300 C C   . GLN A 1 163 ? 23.800 3.154   -11.993 1.000 37.879  0 493 GLN EEE C   1 ? 8  
ATOM   1301 O O   . GLN A 1 163 ? 23.801 2.770   -13.172 1.000 35.523  0 493 GLN EEE O   1 ? 8  
ATOM   1302 C CB  . GLN A 1 163 ? 25.458 1.915   -10.474 1.000 43.198  0 493 GLN EEE CB  1 ? 8  
ATOM   1303 C CG  . GLN A 1 163 ? 25.655 0.839   -9.397  1.000 47.566  0 493 GLN EEE CG  1 ? 8  
ATOM   1304 C CD  . GLN A 1 163 ? 25.468 1.288   -7.961  1.000 52.162  0 493 GLN EEE CD  1 ? 8  
ATOM   1305 O OE1 . GLN A 1 163 ? 25.732 2.427   -7.593  1.000 53.779  0 493 GLN EEE OE1 1 ? 8  
ATOM   1306 N NE2 . GLN A 1 163 ? 25.050 0.365   -7.109  1.000 55.307  0 493 GLN EEE NE2 1 ? 8  
ATOM   1307 N N   . SER A 1 164 ? 23.619 4.415   -11.624 1.000 37.837  0 494 SER EEE N   1 ? 8  
ATOM   1308 C CA  A SER A 1 164 ? 23.344 5.513   -12.585 0.500 36.291  0 494 SER EEE CA  1 ? 8  
ATOM   1309 C CA  B SER A 1 164 ? 23.344 5.522   -12.573 0.500 36.010  0 494 SER EEE CA  1 ? 8  
ATOM   1310 C C   . SER A 1 164 ? 24.662 6.122   -13.067 1.000 34.954  0 494 SER EEE C   1 ? 8  
ATOM   1311 O O   . SER A 1 164 ? 25.595 6.225   -12.273 1.000 35.531  0 494 SER EEE O   1 ? 8  
ATOM   1312 C CB  A SER A 1 164 ? 22.460 6.557   -11.969 0.500 38.182  0 494 SER EEE CB  1 ? 8  
ATOM   1313 C CB  B SER A 1 164 ? 22.475 6.574   -11.935 0.500 37.543  0 494 SER EEE CB  1 ? 8  
ATOM   1314 O OG  A SER A 1 164 ? 23.018 7.009   -10.748 0.500 40.334  0 494 SER EEE OG  1 ? 8  
ATOM   1315 O OG  B SER A 1 164 ? 22.393 7.723   -12.759 0.500 36.031  0 494 SER EEE OG  1 ? 8  
ATOM   1316 N N   . TYR A 1 165 ? 24.704 6.517   -14.330 1.000 33.508  0 495 TYR EEE N   1 ? 8  
ATOM   1317 C CA  . TYR A 1 165 ? 25.815 7.292   -14.921 1.000 32.331  0 495 TYR EEE CA  1 ? 8  
ATOM   1318 C C   . TYR A 1 165 ? 25.820 8.735   -14.378 1.000 33.348  0 495 TYR EEE C   1 ? 8  
ATOM   1319 O O   . TYR A 1 165 ? 26.891 9.341   -14.408 1.000 34.241  0 495 TYR EEE O   1 ? 8  
ATOM   1320 C CB  . TYR A 1 165 ? 25.674 7.278   -16.440 1.000 30.167  0 495 TYR EEE CB  1 ? 8  
ATOM   1321 C CG  . TYR A 1 165 ? 26.121 6.006   -17.111 1.000 28.992  0 495 TYR EEE CG  1 ? 8  
ATOM   1322 C CD1 . TYR A 1 165 ? 27.466 5.702   -17.213 1.000 28.832  0 495 TYR EEE CD1 1 ? 8  
ATOM   1323 C CD2 . TYR A 1 165 ? 25.209 5.146   -17.707 1.000 29.128  0 495 TYR EEE CD2 1 ? 8  
ATOM   1324 C CE1 . TYR A 1 165 ? 27.895 4.543   -17.844 1.000 28.090  0 495 TYR EEE CE1 1 ? 8  
ATOM   1325 C CE2 . TYR A 1 165 ? 25.618 3.977   -18.339 1.000 27.812  0 495 TYR EEE CE2 1 ? 8  
ATOM   1326 C CZ  . TYR A 1 165 ? 26.967 3.682   -18.410 1.000 27.113  0 495 TYR EEE CZ  1 ? 8  
ATOM   1327 O OH  . TYR A 1 165 ? 27.410 2.591   -19.086 1.000 26.085  0 495 TYR EEE OH  1 ? 8  
ATOM   1328 N N   . GLY A 1 166 ? 24.671 9.287   -13.965 1.000 33.423  0 496 GLY EEE N   1 ? 8  
ATOM   1329 C CA  . GLY A 1 166 ? 24.538 10.686  -13.482 1.000 33.642  0 496 GLY EEE CA  1 ? 8  
ATOM   1330 C C   . GLY A 1 166 ? 25.122 11.719  -14.451 1.000 32.349  0 496 GLY EEE C   1 ? 8  
ATOM   1331 O O   . GLY A 1 166 ? 25.762 12.686  -13.979 1.000 34.060  0 496 GLY EEE O   1 ? 8  
ATOM   1332 N N   . PHE A 1 167 ? 24.930 11.549  -15.767 1.000 30.070  0 497 PHE EEE N   1 ? 8  
ATOM   1333 C CA  . PHE A 1 167 ? 25.619 12.350  -16.819 1.000 30.354  0 497 PHE EEE CA  1 ? 8  
ATOM   1334 C C   . PHE A 1 167 ? 25.442 13.857  -16.575 1.000 30.562  0 497 PHE EEE C   1 ? 8  
ATOM   1335 O O   . PHE A 1 167 ? 24.287 14.314  -16.484 1.000 31.069  0 497 PHE EEE O   1 ? 8  
ATOM   1336 C CB  . PHE A 1 167 ? 25.098 12.003  -18.214 1.000 28.707  0 497 PHE EEE CB  1 ? 8  
ATOM   1337 C CG  . PHE A 1 167 ? 25.459 10.625  -18.704 1.000 27.801  0 497 PHE EEE CG  1 ? 8  
ATOM   1338 C CD1 . PHE A 1 167 ? 26.782 10.257  -18.885 1.000 27.430  0 497 PHE EEE CD1 1 ? 8  
ATOM   1339 C CD2 . PHE A 1 167 ? 24.469 9.703   -18.996 1.000 28.385  0 497 PHE EEE CD2 1 ? 8  
ATOM   1340 C CE1 . PHE A 1 167 ? 27.105 9.008   -19.390 1.000 26.299  0 497 PHE EEE CE1 1 ? 8  
ATOM   1341 C CE2 . PHE A 1 167 ? 24.794 8.440   -19.470 1.000 26.479  0 497 PHE EEE CE2 1 ? 8  
ATOM   1342 C CZ  . PHE A 1 167 ? 26.111 8.102   -19.671 1.000 26.651  0 497 PHE EEE CZ  1 ? 8  
ATOM   1343 N N   . GLN A 1 168 ? 26.548 14.598  -16.461 1.000 32.115  0 498 GLN EEE N   1 ? 8  
ATOM   1344 C CA  . GLN A 1 168 ? 26.555 16.091  -16.348 1.000 33.503  0 498 GLN EEE CA  1 ? 8  
ATOM   1345 C C   . GLN A 1 168 ? 27.291 16.690  -17.542 1.000 32.204  0 498 GLN EEE C   1 ? 8  
ATOM   1346 O O   . GLN A 1 168 ? 28.266 16.117  -18.008 1.000 30.714  0 498 GLN EEE O   1 ? 8  
ATOM   1347 C CB  . GLN A 1 168 ? 27.227 16.572  -15.056 1.000 36.234  0 498 GLN EEE CB  1 ? 8  
ATOM   1348 C CG  . GLN A 1 168 ? 26.515 16.136  -13.781 1.000 39.021  0 498 GLN EEE CG  1 ? 8  
ATOM   1349 C CD  . GLN A 1 168 ? 27.280 16.480  -12.522 1.000 42.543  0 498 GLN EEE CD  1 ? 8  
ATOM   1350 O OE1 . GLN A 1 168 ? 27.722 17.603  -12.321 1.000 45.399  0 498 GLN EEE OE1 1 ? 8  
ATOM   1351 N NE2 . GLN A 1 168 ? 27.427 15.513  -11.635 1.000 45.599  0 498 GLN EEE NE2 1 ? 8  
ATOM   1352 N N   . PRO A 1 169 ? 26.861 17.866  -18.068 1.000 32.393  0 499 PRO EEE N   1 ? 8  
ATOM   1353 C CA  . PRO A 1 169 ? 27.431 18.415  -19.302 1.000 31.582  0 499 PRO EEE CA  1 ? 8  
ATOM   1354 C C   . PRO A 1 169 ? 28.936 18.726  -19.212 1.000 32.799  0 499 PRO EEE C   1 ? 8  
ATOM   1355 O O   . PRO A 1 169 ? 29.609 18.679  -20.240 1.000 32.624  0 499 PRO EEE O   1 ? 8  
ATOM   1356 C CB  . PRO A 1 169 ? 26.627 19.686  -19.609 1.000 33.009  0 499 PRO EEE CB  1 ? 8  
ATOM   1357 C CG  . PRO A 1 169 ? 25.595 19.833  -18.503 1.000 33.902  0 499 PRO EEE CG  1 ? 8  
ATOM   1358 C CD  . PRO A 1 169 ? 25.746 18.661  -17.549 1.000 33.331  0 499 PRO EEE CD  1 ? 8  
ATOM   1359 N N   . THR A 1 170 ? 29.457 18.992  -18.007 1.000 34.636  0 500 THR EEE N   1 ? 8  
ATOM   1360 C CA  . THR A 1 170 ? 30.900 19.290  -17.785 1.000 35.647  0 500 THR EEE CA  1 ? 8  
ATOM   1361 C C   . THR A 1 170 ? 31.704 18.040  -17.412 1.000 35.306  0 500 THR EEE C   1 ? 8  
ATOM   1362 O O   . THR A 1 170 ? 32.895 18.193  -17.094 1.000 36.572  0 500 THR EEE O   1 ? 8  
ATOM   1363 C CB  . THR A 1 170 ? 31.069 20.375  -16.717 1.000 37.909  0 500 THR EEE CB  1 ? 8  
ATOM   1364 O OG1 . THR A 1 170 ? 30.454 19.877  -15.526 1.000 38.366  0 500 THR EEE OG1 1 ? 8  
ATOM   1365 C CG2 . THR A 1 170 ? 30.462 21.682  -17.172 1.000 38.573  0 500 THR EEE CG2 1 ? 8  
ATOM   1366 N N   . TYR A 1 171 ? 31.128 16.838  -17.511 1.000 34.639  0 501 TYR EEE N   1 ? 8  
ATOM   1367 C CA  . TYR A 1 171 ? 31.914 15.578  -17.466 1.000 33.757  0 501 TYR EEE CA  1 ? 8  
ATOM   1368 C C   . TYR A 1 171 ? 33.005 15.645  -18.543 1.000 31.547  0 501 TYR EEE C   1 ? 8  
ATOM   1369 O O   . TYR A 1 171 ? 32.745 16.197  -19.644 1.000 28.676  0 501 TYR EEE O   1 ? 8  
ATOM   1370 C CB  . TYR A 1 171 ? 31.011 14.360  -17.697 1.000 34.464  0 501 TYR EEE CB  1 ? 8  
ATOM   1371 C CG  . TYR A 1 171 ? 30.315 13.801  -16.480 1.000 38.114  0 501 TYR EEE CG  1 ? 8  
ATOM   1372 C CD1 . TYR A 1 171 ? 30.290 14.477  -15.266 1.000 43.148  0 501 TYR EEE CD1 1 ? 8  
ATOM   1373 C CD2 . TYR A 1 171 ? 29.658 12.580  -16.555 1.000 40.508  0 501 TYR EEE CD2 1 ? 8  
ATOM   1374 C CE1 . TYR A 1 171 ? 29.650 13.944  -14.157 1.000 46.396  0 501 TYR EEE CE1 1 ? 8  
ATOM   1375 C CE2 . TYR A 1 171 ? 29.013 12.033  -15.456 1.000 42.613  0 501 TYR EEE CE2 1 ? 8  
ATOM   1376 C CZ  . TYR A 1 171 ? 29.002 12.724  -14.259 1.000 45.697  0 501 TYR EEE CZ  1 ? 8  
ATOM   1377 O OH  . TYR A 1 171 ? 28.361 12.184  -13.185 1.000 53.542  0 501 TYR EEE OH  1 ? 8  
ATOM   1378 N N   . GLY A 1 172 ? 34.184 15.101  -18.233 1.000 31.546  0 502 GLY EEE N   1 ? 8  
ATOM   1379 C CA  . GLY A 1 172 ? 35.215 14.747  -19.227 1.000 31.134  0 502 GLY EEE CA  1 ? 8  
ATOM   1380 C C   . GLY A 1 172 ? 34.582 14.010  -20.389 1.000 29.613  0 502 GLY EEE C   1 ? 8  
ATOM   1381 O O   . GLY A 1 172 ? 33.571 13.297  -20.152 1.000 28.100  0 502 GLY EEE O   1 ? 8  
ATOM   1382 N N   . VAL A 1 173 ? 35.135 14.172  -21.597 1.000 30.042  0 503 VAL EEE N   1 ? 8  
ATOM   1383 C CA  . VAL A 1 173 ? 34.591 13.572  -22.854 1.000 30.444  0 503 VAL EEE CA  1 ? 8  
ATOM   1384 C C   . VAL A 1 173 ? 34.450 12.052  -22.664 1.000 28.713  0 503 VAL EEE C   1 ? 8  
ATOM   1385 O O   . VAL A 1 173 ? 33.433 11.506  -23.125 1.000 27.479  0 503 VAL EEE O   1 ? 8  
ATOM   1386 C CB  . VAL A 1 173 ? 35.435 13.943  -24.093 1.000 32.025  0 503 VAL EEE CB  1 ? 8  
ATOM   1387 C CG1 . VAL A 1 173 ? 35.328 15.434  -24.417 1.000 33.197  0 503 VAL EEE CG1 1 ? 8  
ATOM   1388 C CG2 . VAL A 1 173 ? 36.895 13.546  -23.950 1.000 34.048  0 503 VAL EEE CG2 1 ? 8  
ATOM   1389 N N   . GLY A 1 174 ? 35.367 11.410  -21.930 1.000 29.943  0 504 GLY EEE N   1 ? 8  
ATOM   1390 C CA  . GLY A 1 174 ? 35.338 9.949   -21.669 1.000 29.902  0 504 GLY EEE CA  1 ? 8  
ATOM   1391 C C   . GLY A 1 174 ? 34.184 9.499   -20.775 1.000 29.725  0 504 GLY EEE C   1 ? 8  
ATOM   1392 O O   . GLY A 1 174 ? 33.889 8.277   -20.738 1.000 28.047  0 504 GLY EEE O   1 ? 8  
ATOM   1393 N N   . TYR A 1 175 ? 33.552 10.419  -20.043 1.000 29.689  0 505 TYR EEE N   1 ? 8  
ATOM   1394 C CA  . TYR A 1 175 ? 32.440 10.123  -19.101 1.000 30.911  0 505 TYR EEE CA  1 ? 8  
ATOM   1395 C C   . TYR A 1 175 ? 31.113 10.636  -19.654 1.000 28.332  0 505 TYR EEE C   1 ? 8  
ATOM   1396 O O   . TYR A 1 175 ? 30.080 10.419  -19.017 1.000 27.600  0 505 TYR EEE O   1 ? 8  
ATOM   1397 C CB  . TYR A 1 175 ? 32.714 10.735  -17.726 1.000 36.034  0 505 TYR EEE CB  1 ? 8  
ATOM   1398 C CG  . TYR A 1 175 ? 33.852 10.088  -16.980 1.000 43.145  0 505 TYR EEE CG  1 ? 8  
ATOM   1399 C CD1 . TYR A 1 175 ? 35.161 10.516  -17.155 1.000 48.347  0 505 TYR EEE CD1 1 ? 8  
ATOM   1400 C CD2 . TYR A 1 175 ? 33.624 9.055   -16.084 1.000 47.906  0 505 TYR EEE CD2 1 ? 8  
ATOM   1401 C CE1 . TYR A 1 175 ? 36.213 9.929   -16.466 1.000 54.465  0 505 TYR EEE CE1 1 ? 8  
ATOM   1402 C CE2 . TYR A 1 175 ? 34.664 8.462   -15.385 1.000 53.345  0 505 TYR EEE CE2 1 ? 8  
ATOM   1403 C CZ  . TYR A 1 175 ? 35.965 8.895   -15.579 1.000 54.176  0 505 TYR EEE CZ  1 ? 8  
ATOM   1404 O OH  . TYR A 1 175 ? 36.992 8.310   -14.892 1.000 57.140  0 505 TYR EEE OH  1 ? 8  
ATOM   1405 N N   . GLN A 1 176 ? 31.139 11.339  -20.790 1.000 26.536  0 506 GLN EEE N   1 ? 8  
ATOM   1406 C CA  . GLN A 1 176 ? 29.906 11.832  -21.435 1.000 25.282  0 506 GLN EEE CA  1 ? 8  
ATOM   1407 C C   . GLN A 1 176 ? 29.138 10.659  -22.032 1.000 24.193  0 506 GLN EEE C   1 ? 8  
ATOM   1408 O O   . GLN A 1 176 ? 29.708 9.629   -22.380 1.000 23.504  0 506 GLN EEE O   1 ? 8  
ATOM   1409 C CB  . GLN A 1 176 ? 30.242 12.898  -22.478 1.000 24.787  0 506 GLN EEE CB  1 ? 8  
ATOM   1410 C CG  . GLN A 1 176 ? 30.657 14.206  -21.833 1.000 25.175  0 506 GLN EEE CG  1 ? 8  
ATOM   1411 C CD  . GLN A 1 176 ? 31.125 15.255  -22.811 1.000 25.508  0 506 GLN EEE CD  1 ? 8  
ATOM   1412 O OE1 . GLN A 1 176 ? 30.863 15.191  -24.012 1.000 24.372  0 506 GLN EEE OE1 1 ? 8  
ATOM   1413 N NE2 . GLN A 1 176 ? 31.804 16.260  -22.284 1.000 27.284  0 506 GLN EEE NE2 1 ? 8  
ATOM   1414 N N   . PRO A 1 177 ? 27.804 10.809  -22.166 1.000 24.198  0 507 PRO EEE N   1 ? 8  
ATOM   1415 C CA  . PRO A 1 177 ? 26.973 9.781   -22.775 1.000 23.316  0 507 PRO EEE CA  1 ? 8  
ATOM   1416 C C   . PRO A 1 177 ? 27.216 9.699   -24.285 1.000 23.368  0 507 PRO EEE C   1 ? 8  
ATOM   1417 O O   . PRO A 1 177 ? 27.389 10.744  -24.959 1.000 20.770  0 507 PRO EEE O   1 ? 8  
ATOM   1418 C CB  . PRO A 1 177 ? 25.546 10.252  -22.489 1.000 23.917  0 507 PRO EEE CB  1 ? 8  
ATOM   1419 C CG  . PRO A 1 177 ? 25.686 11.782  -22.419 1.000 24.596  0 507 PRO EEE CG  1 ? 8  
ATOM   1420 C CD  . PRO A 1 177 ? 27.040 12.002  -21.778 1.000 24.857  0 507 PRO EEE CD  1 ? 8  
ATOM   1421 N N   . TYR A 1 178 ? 27.242 8.460   -24.783 1.000 22.316  0 508 TYR EEE N   1 ? 8  
ATOM   1422 C CA  . TYR A 1 178 ? 27.299 8.120   -26.221 1.000 22.908  0 508 TYR EEE CA  1 ? 8  
ATOM   1423 C C   . TYR A 1 178 ? 26.117 7.208   -26.503 1.000 23.376  0 508 TYR EEE C   1 ? 8  
ATOM   1424 O O   . TYR A 1 178 ? 25.919 6.242   -25.729 1.000 24.266  0 508 TYR EEE O   1 ? 8  
ATOM   1425 C CB  . TYR A 1 178 ? 28.629 7.446   -26.568 1.000 22.382  0 508 TYR EEE CB  1 ? 8  
ATOM   1426 C CG  . TYR A 1 178 ? 29.734 8.446   -26.763 1.000 23.090  0 508 TYR EEE CG  1 ? 8  
ATOM   1427 C CD1 . TYR A 1 178 ? 30.199 9.204   -25.697 1.000 23.980  0 508 TYR EEE CD1 1 ? 8  
ATOM   1428 C CD2 . TYR A 1 178 ? 30.259 8.698   -28.021 1.000 22.191  0 508 TYR EEE CD2 1 ? 8  
ATOM   1429 C CE1 . TYR A 1 178 ? 31.181 10.165  -25.872 1.000 22.943  0 508 TYR EEE CE1 1 ? 8  
ATOM   1430 C CE2 . TYR A 1 178 ? 31.241 9.658   -28.211 1.000 22.574  0 508 TYR EEE CE2 1 ? 8  
ATOM   1431 C CZ  . TYR A 1 178 ? 31.696 10.399  -27.136 1.000 23.844  0 508 TYR EEE CZ  1 ? 8  
ATOM   1432 O OH  . TYR A 1 178 ? 32.657 11.351  -27.342 1.000 23.316  0 508 TYR EEE OH  1 ? 8  
ATOM   1433 N N   . ARG A 1 179 ? 25.354 7.533   -27.540 1.000 22.742  0 509 ARG EEE N   1 ? 8  
ATOM   1434 C CA  . ARG A 1 179 ? 24.323 6.652   -28.102 1.000 22.007  0 509 ARG EEE CA  1 ? 8  
ATOM   1435 C C   . ARG A 1 179 ? 25.028 5.642   -29.015 1.000 22.778  0 509 ARG EEE C   1 ? 8  
ATOM   1436 O O   . ARG A 1 179 ? 25.933 6.031   -29.782 1.000 21.658  0 509 ARG EEE O   1 ? 8  
ATOM   1437 C CB  . ARG A 1 179 ? 23.247 7.467   -28.805 1.000 22.876  0 509 ARG EEE CB  1 ? 8  
ATOM   1438 C CG  . ARG A 1 179 ? 22.286 8.116   -27.833 1.000 24.369  0 509 ARG EEE CG  1 ? 8  
ATOM   1439 C CD  . ARG A 1 179 ? 21.382 9.138   -28.459 1.000 25.329  0 509 ARG EEE CD  1 ? 8  
ATOM   1440 N NE  . ARG A 1 179 ? 20.602 9.716   -27.391 1.000 26.691  0 509 ARG EEE NE  1 ? 8  
ATOM   1441 C CZ  . ARG A 1 179 ? 19.400 10.227  -27.518 1.000 28.418  0 509 ARG EEE CZ  1 ? 8  
ATOM   1442 N NH1 . ARG A 1 179 ? 18.797 10.268  -28.695 1.000 29.705  0 509 ARG EEE NH1 1 ? 8  
ATOM   1443 N NH2 . ARG A 1 179 ? 18.803 10.714  -26.447 1.000 31.441  0 509 ARG EEE NH2 1 ? 8  
ATOM   1444 N N   . VAL A 1 180 ? 24.626 4.378   -28.906 1.000 22.764  0 510 VAL EEE N   1 ? 8  
ATOM   1445 C CA  . VAL A 1 180 ? 25.243 3.244   -29.652 1.000 21.244  0 510 VAL EEE CA  1 ? 8  
ATOM   1446 C C   . VAL A 1 180 ? 24.141 2.511   -30.424 1.000 20.985  0 510 VAL EEE C   1 ? 8  
ATOM   1447 O O   . VAL A 1 180 ? 23.032 2.296   -29.888 1.000 21.263  0 510 VAL EEE O   1 ? 8  
ATOM   1448 C CB  . VAL A 1 180 ? 26.009 2.303   -28.707 1.000 22.176  0 510 VAL EEE CB  1 ? 8  
ATOM   1449 C CG1 . VAL A 1 180 ? 26.677 1.163   -29.481 1.000 22.012  0 510 VAL EEE CG1 1 ? 8  
ATOM   1450 C CG2 . VAL A 1 180 ? 27.039 3.056   -27.879 1.000 22.694  0 510 VAL EEE CG2 1 ? 8  
ATOM   1451 N N   . VAL A 1 181 ? 24.425 2.195   -31.684 1.000 20.833  0 511 VAL EEE N   1 ? 8  
ATOM   1452 C CA  . VAL A 1 181 ? 23.562 1.325   -32.517 1.000 22.108  0 511 VAL EEE CA  1 ? 8  
ATOM   1453 C C   . VAL A 1 181 ? 24.438 0.151   -32.965 1.000 21.167  0 511 VAL EEE C   1 ? 8  
ATOM   1454 O O   . VAL A 1 181 ? 25.540 0.359   -33.519 1.000 20.180  0 511 VAL EEE O   1 ? 8  
ATOM   1455 C CB  . VAL A 1 181 ? 22.936 2.084   -33.699 1.000 23.733  0 511 VAL EEE CB  1 ? 8  
ATOM   1456 C CG1 . VAL A 1 181 ? 22.280 1.122   -34.690 1.000 23.163  0 511 VAL EEE CG1 1 ? 8  
ATOM   1457 C CG2 . VAL A 1 181 ? 21.945 3.126   -33.220 1.000 24.271  0 511 VAL EEE CG2 1 ? 8  
ATOM   1458 N N   . VAL A 1 182 ? 23.989 -1.058  -32.692 1.000 22.029  0 512 VAL EEE N   1 ? 8  
ATOM   1459 C CA  . VAL A 1 182 ? 24.677 -2.278  -33.178 1.000 22.115  0 512 VAL EEE CA  1 ? 8  
ATOM   1460 C C   . VAL A 1 182 ? 23.756 -2.933  -34.209 1.000 21.582  0 512 VAL EEE C   1 ? 8  
ATOM   1461 O O   . VAL A 1 182 ? 22.605 -3.293  -33.844 1.000 23.369  0 512 VAL EEE O   1 ? 8  
ATOM   1462 C CB  . VAL A 1 182 ? 25.009 -3.254  -32.040 1.000 21.829  0 512 VAL EEE CB  1 ? 8  
ATOM   1463 C CG1 . VAL A 1 182 ? 25.668 -4.504  -32.609 1.000 22.186  0 512 VAL EEE CG1 1 ? 8  
ATOM   1464 C CG2 . VAL A 1 182 ? 25.891 -2.610  -30.992 1.000 22.363  0 512 VAL EEE CG2 1 ? 8  
ATOM   1465 N N   . LEU A 1 183 ? 24.238 -3.042  -35.439 1.000 20.966  0 513 LEU EEE N   1 ? 8  
ATOM   1466 C CA  . LEU A 1 183 ? 23.542 -3.747  -36.543 1.000 22.221  0 513 LEU EEE CA  1 ? 8  
ATOM   1467 C C   . LEU A 1 183 ? 24.168 -5.139  -36.653 1.000 21.684  0 513 LEU EEE C   1 ? 8  
ATOM   1468 O O   . LEU A 1 183 ? 25.386 -5.220  -36.950 1.000 22.617  0 513 LEU EEE O   1 ? 8  
ATOM   1469 C CB  . LEU A 1 183 ? 23.700 -2.947  -37.832 1.000 23.526  0 513 LEU EEE CB  1 ? 8  
ATOM   1470 C CG  . LEU A 1 183 ? 23.115 -1.539  -37.802 1.000 23.906  0 513 LEU EEE CG  1 ? 8  
ATOM   1471 C CD1 . LEU A 1 183 ? 23.384 -0.836  -39.110 1.000 25.223  0 513 LEU EEE CD1 1 ? 8  
ATOM   1472 C CD2 . LEU A 1 183 ? 21.625 -1.561  -37.498 1.000 25.297  0 513 LEU EEE CD2 1 ? 8  
ATOM   1473 N N   . SER A 1 184 ? 23.376 -6.159  -36.318 1.000 22.992  0 514 SER EEE N   1 ? 8  
ATOM   1474 C CA  . SER A 1 184 ? 23.709 -7.605  -36.378 1.000 23.438  0 514 SER EEE CA  1 ? 8  
ATOM   1475 C C   . SER A 1 184 ? 23.240 -8.169  -37.719 1.000 21.652  0 514 SER EEE C   1 ? 8  
ATOM   1476 O O   . SER A 1 184 ? 22.040 -8.068  -37.970 1.000 21.432  0 514 SER EEE O   1 ? 8  
ATOM   1477 C CB  . SER A 1 184 ? 23.002 -8.334  -35.258 1.000 26.185  0 514 SER EEE CB  1 ? 8  
ATOM   1478 O OG  . SER A 1 184 ? 23.759 -8.204  -34.094 1.000 38.438  0 514 SER EEE OG  1 ? 8  
ATOM   1479 N N   . PHE A 1 185 ? 24.121 -8.792  -38.498 1.000 21.982  0 515 PHE EEE N   1 ? 8  
ATOM   1480 C CA  . PHE A 1 185 ? 23.770 -9.360  -39.825 1.000 23.598  0 515 PHE EEE CA  1 ? 8  
ATOM   1481 C C   . PHE A 1 185 ? 23.835 -10.890 -39.748 1.000 24.463  0 515 PHE EEE C   1 ? 8  
ATOM   1482 O O   . PHE A 1 185 ? 24.918 -11.444 -39.438 1.000 24.140  0 515 PHE EEE O   1 ? 8  
ATOM   1483 C CB  . PHE A 1 185 ? 24.699 -8.838  -40.914 1.000 24.101  0 515 PHE EEE CB  1 ? 8  
ATOM   1484 C CG  . PHE A 1 185 ? 24.752 -7.339  -41.067 1.000 23.374  0 515 PHE EEE CG  1 ? 8  
ATOM   1485 C CD1 . PHE A 1 185 ? 23.646 -6.541  -40.800 1.000 24.192  0 515 PHE EEE CD1 1 ? 8  
ATOM   1486 C CD2 . PHE A 1 185 ? 25.909 -6.729  -41.514 1.000 24.690  0 515 PHE EEE CD2 1 ? 8  
ATOM   1487 C CE1 . PHE A 1 185 ? 23.709 -5.167  -40.954 1.000 24.107  0 515 PHE EEE CE1 1 ? 8  
ATOM   1488 C CE2 . PHE A 1 185 ? 25.971 -5.346  -41.665 1.000 24.819  0 515 PHE EEE CE2 1 ? 8  
ATOM   1489 C CZ  . PHE A 1 185 ? 24.875 -4.570  -41.386 1.000 23.892  0 515 PHE EEE CZ  1 ? 8  
ATOM   1490 N N   . GLU A 1 186 ? 22.714 -11.546 -40.040 1.000 25.331  0 516 GLU EEE N   1 ? 8  
ATOM   1491 C CA  . GLU A 1 186 ? 22.644 -13.032 -40.073 1.000 26.614  0 516 GLU EEE CA  1 ? 8  
ATOM   1492 C C   . GLU A 1 186 ? 22.790 -13.511 -41.522 1.000 26.732  0 516 GLU EEE C   1 ? 8  
ATOM   1493 O O   . GLU A 1 186 ? 22.308 -12.840 -42.454 1.000 25.252  0 516 GLU EEE O   1 ? 8  
ATOM   1494 C CB  . GLU A 1 186 ? 21.369 -13.512 -39.389 1.000 29.714  0 516 GLU EEE CB  1 ? 8  
ATOM   1495 C CG  . GLU A 1 186 ? 21.426 -13.327 -37.889 1.000 33.749  0 516 GLU EEE CG  1 ? 8  
ATOM   1496 C CD  . GLU A 1 186 ? 20.133 -13.633 -37.152 1.000 38.018  0 516 GLU EEE CD  1 ? 8  
ATOM   1497 O OE1 . GLU A 1 186 ? 19.453 -14.589 -37.530 1.000 34.686  0 516 GLU EEE OE1 1 ? 8  
ATOM   1498 O OE2 . GLU A 1 186 ? 19.799 -12.871 -36.215 1.000 46.134  0 516 GLU EEE OE2 1 ? 8  
ATOM   1499 N N   . LEU A 1 187 ? 23.482 -14.633 -41.699 1.000 25.690  0 517 LEU EEE N   1 ? 8  
ATOM   1500 C CA  . LEU A 1 187 ? 23.635 -15.328 -43.005 1.000 25.132  0 517 LEU EEE CA  1 ? 8  
ATOM   1501 C C   . LEU A 1 187 ? 23.347 -16.809 -42.772 1.000 24.651  0 517 LEU EEE C   1 ? 8  
ATOM   1502 O O   . LEU A 1 187 ? 24.278 -17.647 -42.941 1.000 25.108  0 517 LEU EEE O   1 ? 8  
ATOM   1503 C CB  . LEU A 1 187 ? 25.047 -15.086 -43.527 1.000 25.491  0 517 LEU EEE CB  1 ? 8  
ATOM   1504 C CG  . LEU A 1 187 ? 25.321 -13.647 -43.980 1.000 24.598  0 517 LEU EEE CG  1 ? 8  
ATOM   1505 C CD1 . LEU A 1 187 ? 26.813 -13.367 -44.064 1.000 24.923  0 517 LEU EEE CD1 1 ? 8  
ATOM   1506 C CD2 . LEU A 1 187 ? 24.639 -13.368 -45.308 1.000 25.778  0 517 LEU EEE CD2 1 ? 8  
ATOM   1507 N N   . LEU A 1 188 ? 22.105 -17.110 -42.392 1.000 24.171  0 518 LEU EEE N   1 ? 8  
ATOM   1508 C CA  . LEU A 1 188 ? 21.651 -18.505 -42.106 1.000 25.394  0 518 LEU EEE CA  1 ? 8  
ATOM   1509 C C   . LEU A 1 188 ? 21.224 -19.210 -43.403 1.000 25.809  0 518 LEU EEE C   1 ? 8  
ATOM   1510 O O   . LEU A 1 188 ? 21.211 -18.582 -44.490 1.000 25.011  0 518 LEU EEE O   1 ? 8  
ATOM   1511 C CB  . LEU A 1 188 ? 20.498 -18.460 -41.095 1.000 25.929  0 518 LEU EEE CB  1 ? 8  
ATOM   1512 C CG  . LEU A 1 188 ? 20.801 -17.750 -39.771 1.000 25.370  0 518 LEU EEE CG  1 ? 8  
ATOM   1513 C CD1 . LEU A 1 188 ? 19.610 -17.841 -38.829 1.000 26.178  0 518 LEU EEE CD1 1 ? 8  
ATOM   1514 C CD2 . LEU A 1 188 ? 22.039 -18.330 -39.106 1.000 25.579  0 518 LEU EEE CD2 1 ? 8  
ATOM   1515 N N   . HIS A 1 189 ? 20.885 -20.488 -43.296 1.000 25.569  0 519 HIS EEE N   1 ? 8  
ATOM   1516 C CA  . HIS A 1 189 ? 20.444 -21.328 -44.437 1.000 27.098  0 519 HIS EEE CA  1 ? 8  
ATOM   1517 C C   . HIS A 1 189 ? 18.946 -21.100 -44.609 1.000 28.589  0 519 HIS EEE C   1 ? 8  
ATOM   1518 O O   . HIS A 1 189 ? 18.147 -21.906 -44.126 1.000 30.110  0 519 HIS EEE O   1 ? 8  
ATOM   1519 C CB  . HIS A 1 189 ? 20.878 -22.777 -44.217 1.000 26.968  0 519 HIS EEE CB  1 ? 8  
ATOM   1520 C CG  . HIS A 1 189 ? 22.359 -22.879 -44.098 1.000 26.198  0 519 HIS EEE CG  1 ? 8  
ATOM   1521 N ND1 . HIS A 1 189 ? 23.189 -22.607 -45.152 1.000 25.980  0 519 HIS EEE ND1 1 ? 8  
ATOM   1522 C CD2 . HIS A 1 189 ? 23.154 -23.196 -43.050 1.000 25.917  0 519 HIS EEE CD2 1 ? 8  
ATOM   1523 C CE1 . HIS A 1 189 ? 24.439 -22.730 -44.761 1.000 26.227  0 519 HIS EEE CE1 1 ? 8  
ATOM   1524 N NE2 . HIS A 1 189 ? 24.444 -23.108 -43.469 1.000 25.522  0 519 HIS EEE NE2 1 ? 8  
ATOM   1525 N N   . ALA A 1 190 ? 18.605 -19.962 -45.205 1.000 28.772  0 520 ALA EEE N   1 ? 8  
ATOM   1526 C CA  . ALA A 1 190 ? 17.223 -19.453 -45.318 1.000 29.395  0 520 ALA EEE CA  1 ? 8  
ATOM   1527 C C   . ALA A 1 190 ? 17.226 -18.323 -46.348 1.000 28.955  0 520 ALA EEE C   1 ? 8  
ATOM   1528 O O   . ALA A 1 190 ? 18.278 -17.811 -46.702 1.000 27.794  0 520 ALA EEE O   1 ? 8  
ATOM   1529 C CB  . ALA A 1 190 ? 16.735 -18.975 -43.962 1.000 29.319  0 520 ALA EEE CB  1 ? 8  
ATOM   1530 N N   . PRO A 1 191 ? 16.069 -17.939 -46.907 1.000 30.919  0 521 PRO EEE N   1 ? 8  
ATOM   1531 C CA  . PRO A 1 191 ? 16.025 -16.836 -47.868 1.000 31.364  0 521 PRO EEE CA  1 ? 8  
ATOM   1532 C C   . PRO A 1 191 ? 16.522 -15.505 -47.272 1.000 30.652  0 521 PRO EEE C   1 ? 8  
ATOM   1533 O O   . PRO A 1 191 ? 16.288 -15.238 -46.109 1.000 29.365  0 521 PRO EEE O   1 ? 8  
ATOM   1534 C CB  . PRO A 1 191 ? 14.528 -16.778 -48.242 1.000 33.104  0 521 PRO EEE CB  1 ? 8  
ATOM   1535 C CG  . PRO A 1 191 ? 14.029 -18.193 -48.007 1.000 34.426  0 521 PRO EEE CG  1 ? 8  
ATOM   1536 C CD  . PRO A 1 191 ? 14.773 -18.626 -46.758 1.000 33.036  0 521 PRO EEE CD  1 ? 8  
ATOM   1537 N N   . ALA A 1 192 ? 17.237 -14.708 -48.075 1.000 30.578  0 522 ALA EEE N   1 ? 8  
ATOM   1538 C CA  . ALA A 1 192 ? 17.570 -13.305 -47.749 1.000 29.219  0 522 ALA EEE CA  1 ? 8  
ATOM   1539 C C   . ALA A 1 192 ? 16.267 -12.549 -47.497 1.000 29.166  0 522 ALA EEE C   1 ? 8  
ATOM   1540 O O   . ALA A 1 192 ? 15.328 -12.760 -48.249 1.000 30.978  0 522 ALA EEE O   1 ? 8  
ATOM   1541 C CB  . ALA A 1 192 ? 18.353 -12.673 -48.867 1.000 29.837  0 522 ALA EEE CB  1 ? 8  
ATOM   1542 N N   . THR A 1 193 ? 16.214 -11.689 -46.482 1.000 29.151  0 523 THR EEE N   1 ? 8  
ATOM   1543 C CA  A THR A 1 193 ? 15.046 -10.823 -46.155 0.500 30.760  0 523 THR EEE CA  1 ? 8  
ATOM   1544 C CA  B THR A 1 193 ? 15.025 -10.817 -46.249 0.500 29.387  0 523 THR EEE CA  1 ? 8  
ATOM   1545 C C   . THR A 1 193 ? 15.436 -9.337  -46.222 1.000 29.398  0 523 THR EEE C   1 ? 8  
ATOM   1546 O O   . THR A 1 193 ? 14.538 -8.492  -46.245 1.000 29.637  0 523 THR EEE O   1 ? 8  
ATOM   1547 C CB  A THR A 1 193 ? 14.518 -11.140 -44.750 0.500 31.796  0 523 THR EEE CB  1 ? 8  
ATOM   1548 C CB  B THR A 1 193 ? 14.279 -11.209 -44.968 0.500 29.093  0 523 THR EEE CB  1 ? 8  
ATOM   1549 O OG1 A THR A 1 193 ? 13.289 -10.446 -44.566 0.500 36.029  0 523 THR EEE OG1 1 ? 8  
ATOM   1550 O OG1 B THR A 1 193 ? 15.087 -10.804 -43.864 0.500 26.569  0 523 THR EEE OG1 1 ? 8  
ATOM   1551 C CG2 A THR A 1 193 ? 15.450 -10.729 -43.635 0.500 30.230  0 523 THR EEE CG2 1 ? 8  
ATOM   1552 C CG2 B THR A 1 193 ? 13.960 -12.688 -44.885 0.500 28.907  0 523 THR EEE CG2 1 ? 8  
ATOM   1553 N N   . VAL A 1 194 ? 16.724 -9.036  -46.190 1.000 28.748  0 524 VAL EEE N   1 ? 8  
ATOM   1554 C CA  . VAL A 1 194 ? 17.210 -7.624  -46.207 1.000 29.303  0 524 VAL EEE CA  1 ? 8  
ATOM   1555 C C   . VAL A 1 194 ? 18.292 -7.510  -47.272 1.000 30.694  0 524 VAL EEE C   1 ? 8  
ATOM   1556 O O   . VAL A 1 194 ? 19.312 -8.214  -47.154 1.000 30.921  0 524 VAL EEE O   1 ? 8  
ATOM   1557 C CB  . VAL A 1 194 ? 17.729 -7.168  -44.832 1.000 28.234  0 524 VAL EEE CB  1 ? 8  
ATOM   1558 C CG1 . VAL A 1 194 ? 18.218 -5.727  -44.874 1.000 28.540  0 524 VAL EEE CG1 1 ? 8  
ATOM   1559 C CG2 . VAL A 1 194 ? 16.683 -7.355  -43.756 1.000 28.280  0 524 VAL EEE CG2 1 ? 8  
ATOM   1560 N N   . CYS A 1 195 ? 18.064 -6.666  -48.278 1.000 30.265  0 525 CYS EEE N   1 ? 8  
ATOM   1561 C CA  . CYS A 1 195 ? 19.011 -6.430  -49.393 1.000 31.610  0 525 CYS EEE CA  1 ? 8  
ATOM   1562 C C   . CYS A 1 195 ? 19.207 -4.920  -49.539 1.000 31.066  0 525 CYS EEE C   1 ? 8  
ATOM   1563 O O   . CYS A 1 195 ? 18.314 -4.172  -49.134 1.000 30.014  0 525 CYS EEE O   1 ? 8  
ATOM   1564 C CB  . CYS A 1 195 ? 18.510 -7.052  -50.691 1.000 33.174  0 525 CYS EEE CB  1 ? 8  
ATOM   1565 S SG  . CYS A 1 195 ? 18.579 -8.867  -50.691 1.000 34.933  0 525 CYS EEE SG  1 ? 8  
ATOM   1566 N N   . GLY A 1 196 ? 20.355 -4.510  -50.072 1.000 32.878  0 526 GLY EEE N   1 ? 8  
ATOM   1567 C CA  . GLY A 1 196 ? 20.604 -3.120  -50.497 1.000 33.118  0 526 GLY EEE CA  1 ? 8  
ATOM   1568 C C   . GLY A 1 196 ? 19.766 -2.758  -51.718 1.000 36.527  0 526 GLY EEE C   1 ? 8  
ATOM   1569 O O   . GLY A 1 196 ? 19.205 -3.638  -52.364 1.000 36.592  0 526 GLY EEE O   1 ? 8  
ATOM   1570 N N   . PRO A 1 197 ? 19.672 -1.456  -52.078 1.000 37.360  0 527 PRO EEE N   1 ? 8  
ATOM   1571 C CA  . PRO A 1 197 ? 18.917 -1.017  -53.257 1.000 40.793  0 527 PRO EEE CA  1 ? 8  
ATOM   1572 C C   . PRO A 1 197 ? 19.398 -1.655  -54.575 1.000 44.886  0 527 PRO EEE C   1 ? 8  
ATOM   1573 O O   . PRO A 1 197 ? 20.573 -1.895  -54.715 1.000 46.345  0 527 PRO EEE O   1 ? 8  
ATOM   1574 C CB  . PRO A 1 197 ? 19.149 0.503   -53.279 1.000 40.563  0 527 PRO EEE CB  1 ? 8  
ATOM   1575 C CG  . PRO A 1 197 ? 19.487 0.856   -51.850 1.000 37.918  0 527 PRO EEE CG  1 ? 8  
ATOM   1576 C CD  . PRO A 1 197 ? 20.269 -0.337  -51.337 1.000 36.630  0 527 PRO EEE CD  1 ? 8  
ATOM   1577 N N   . LYS A 1 198 ? 18.480 -1.933  -55.502 1.000 50.757  0 528 LYS EEE N   1 ? 8  
ATOM   1578 C CA  . LYS A 1 198 ? 18.784 -2.498  -56.851 1.000 56.928  0 528 LYS EEE CA  1 ? 8  
ATOM   1579 C C   . LYS A 1 198 ? 19.533 -1.473  -57.715 1.000 56.164  0 528 LYS EEE C   1 ? 8  
ATOM   1580 O O   . LYS A 1 198 ? 19.459 -0.254  -57.535 1.000 52.764  0 528 LYS EEE O   1 ? 8  
ATOM   1581 C CB  . LYS A 1 198 ? 17.494 -2.928  -57.552 1.000 62.784  0 528 LYS EEE CB  1 ? 8  
ATOM   1582 C CG  . LYS A 1 198 ? 17.646 -3.251  -59.031 1.000 67.233  0 528 LYS EEE CG  1 ? 8  
ATOM   1583 C CD  . LYS A 1 198 ? 16.424 -3.903  -59.615 1.000 70.480  0 528 LYS EEE CD  1 ? 8  
ATOM   1584 C CE  . LYS A 1 198 ? 16.641 -4.355  -61.040 1.000 76.285  0 528 LYS EEE CE  1 ? 8  
ATOM   1585 N NZ  . LYS A 1 198 ? 15.528 -5.214  -61.509 1.000 81.915  0 528 LYS EEE NZ  1 ? 8  
ATOM   1586 N N   . GLN B 2 1   ? 46.635 -10.355 -27.210 1.000 74.201  0 3   GLN BBB N   1 ? 1  
ATOM   1587 C CA  . GLN B 2 1   ? 46.295 -9.422  -28.310 1.000 68.752  0 3   GLN BBB CA  1 ? 1  
ATOM   1588 C C   . GLN B 2 1   ? 47.412 -9.436  -29.362 1.000 65.025  0 3   GLN BBB C   1 ? 1  
ATOM   1589 O O   . GLN B 2 1   ? 48.057 -10.484 -29.520 1.000 66.106  0 3   GLN BBB O   1 ? 1  
ATOM   1590 C CB  . GLN B 2 1   ? 46.088 -8.015  -27.760 1.000 70.384  0 3   GLN BBB CB  1 ? 1  
ATOM   1591 C CG  . GLN B 2 1   ? 45.037 -7.920  -26.672 1.000 73.549  0 3   GLN BBB CG  1 ? 1  
ATOM   1592 C CD  . GLN B 2 1   ? 45.075 -6.551  -26.044 1.000 78.309  0 3   GLN BBB CD  1 ? 1  
ATOM   1593 O OE1 . GLN B 2 1   ? 46.060 -5.819  -26.162 1.000 80.094  0 3   GLN BBB OE1 1 ? 1  
ATOM   1594 N NE2 . GLN B 2 1   ? 43.996 -6.193  -25.367 1.000 82.437  0 3   GLN BBB NE2 1 ? 1  
ATOM   1595 N N   . VAL B 2 2   ? 47.653 -8.300  -30.023 1.000 59.164  0 4   VAL BBB N   1 ? 1  
ATOM   1596 C CA  . VAL B 2 2   ? 48.383 -8.214  -31.318 1.000 55.653  0 4   VAL BBB CA  1 ? 1  
ATOM   1597 C C   . VAL B 2 2   ? 49.604 -7.303  -31.128 1.000 56.679  0 4   VAL BBB C   1 ? 1  
ATOM   1598 O O   . VAL B 2 2   ? 49.417 -6.196  -30.598 1.000 57.854  0 4   VAL BBB O   1 ? 1  
ATOM   1599 C CB  . VAL B 2 2   ? 47.418 -7.710  -32.411 1.000 51.253  0 4   VAL BBB CB  1 ? 1  
ATOM   1600 C CG1 . VAL B 2 2   ? 48.046 -7.710  -33.796 1.000 49.165  0 4   VAL BBB CG1 1 ? 1  
ATOM   1601 C CG2 . VAL B 2 2   ? 46.110 -8.496  -32.418 1.000 49.729  0 4   VAL BBB CG2 1 ? 1  
ATOM   1602 N N   . GLN B 2 3   ? 50.802 -7.761  -31.517 1.000 57.367  0 5   GLN BBB N   1 ? 1  
ATOM   1603 C CA  . GLN B 2 3   ? 52.045 -6.938  -31.600 1.000 58.058  0 5   GLN BBB CA  1 ? 1  
ATOM   1604 C C   . GLN B 2 3   ? 52.338 -6.672  -33.077 1.000 53.430  0 5   GLN BBB C   1 ? 1  
ATOM   1605 O O   . GLN B 2 3   ? 52.059 -7.564  -33.895 1.000 52.143  0 5   GLN BBB O   1 ? 1  
ATOM   1606 C CB  . GLN B 2 3   ? 53.263 -7.623  -30.973 1.000 63.367  0 5   GLN BBB CB  1 ? 1  
ATOM   1607 C CG  . GLN B 2 3   ? 53.060 -8.048  -29.528 1.000 68.907  0 5   GLN BBB CG  1 ? 1  
ATOM   1608 C CD  . GLN B 2 3   ? 52.286 -9.341  -29.442 1.000 71.051  0 5   GLN BBB CD  1 ? 1  
ATOM   1609 O OE1 . GLN B 2 3   ? 52.363 -10.187 -30.331 1.000 72.223  0 5   GLN BBB OE1 1 ? 1  
ATOM   1610 N NE2 . GLN B 2 3   ? 51.515 -9.495  -28.377 1.000 73.481  0 5   GLN BBB NE2 1 ? 1  
ATOM   1611 N N   . LEU B 2 4   ? 52.866 -5.489  -33.391 1.000 51.399  0 6   LEU BBB N   1 ? 1  
ATOM   1612 C CA  . LEU B 2 4   ? 53.139 -5.031  -34.780 1.000 48.077  0 6   LEU BBB CA  1 ? 1  
ATOM   1613 C C   . LEU B 2 4   ? 54.591 -4.560  -34.851 1.000 50.488  0 6   LEU BBB C   1 ? 1  
ATOM   1614 O O   . LEU B 2 4   ? 54.965 -3.707  -34.027 1.000 52.093  0 6   LEU BBB O   1 ? 1  
ATOM   1615 C CB  . LEU B 2 4   ? 52.176 -3.897  -35.152 1.000 44.296  0 6   LEU BBB CB  1 ? 1  
ATOM   1616 C CG  . LEU B 2 4   ? 50.689 -4.197  -34.964 1.000 42.437  0 6   LEU BBB CG  1 ? 1  
ATOM   1617 C CD1 . LEU B 2 4   ? 49.835 -2.978  -35.301 1.000 40.210  0 6   LEU BBB CD1 1 ? 1  
ATOM   1618 C CD2 . LEU B 2 4   ? 50.255 -5.385  -35.804 1.000 41.110  0 6   LEU BBB CD2 1 ? 1  
ATOM   1619 N N   . VAL B 2 5   ? 55.354 -5.095  -35.809 1.000 50.751  0 7   VAL BBB N   1 ? 1  
ATOM   1620 C CA  . VAL B 2 5   ? 56.810 -4.828  -35.985 1.000 53.923  0 7   VAL BBB CA  1 ? 1  
ATOM   1621 C C   . VAL B 2 5   ? 57.053 -4.354  -37.423 1.000 51.662  0 7   VAL BBB C   1 ? 1  
ATOM   1622 O O   . VAL B 2 5   ? 56.910 -5.167  -38.347 1.000 50.528  0 7   VAL BBB O   1 ? 1  
ATOM   1623 C CB  . VAL B 2 5   ? 57.639 -6.074  -35.621 1.000 58.443  0 7   VAL BBB CB  1 ? 1  
ATOM   1624 C CG1 . VAL B 2 5   ? 57.425 -6.476  -34.165 1.000 61.147  0 7   VAL BBB CG1 1 ? 1  
ATOM   1625 C CG2 . VAL B 2 5   ? 57.353 -7.253  -36.541 1.000 58.975  0 7   VAL BBB CG2 1 ? 1  
ATOM   1626 N N   . GLU B 2 6   ? 57.351 -3.063  -37.597 1.000 50.854  0 8   GLU BBB N   1 ? 1  
ATOM   1627 C CA  . GLU B 2 6   ? 57.650 -2.448  -38.916 1.000 48.724  0 8   GLU BBB CA  1 ? 1  
ATOM   1628 C C   . GLU B 2 6   ? 59.093 -2.776  -39.315 1.000 50.359  0 8   GLU BBB C   1 ? 1  
ATOM   1629 O O   . GLU B 2 6   ? 59.896 -3.100  -38.427 1.000 53.351  0 8   GLU BBB O   1 ? 1  
ATOM   1630 C CB  . GLU B 2 6   ? 57.454 -0.933  -38.888 1.000 47.286  0 8   GLU BBB CB  1 ? 1  
ATOM   1631 C CG  . GLU B 2 6   ? 56.031 -0.505  -38.570 1.000 45.560  0 8   GLU BBB CG  1 ? 1  
ATOM   1632 C CD  . GLU B 2 6   ? 55.781 -0.092  -37.130 1.000 46.275  0 8   GLU BBB CD  1 ? 1  
ATOM   1633 O OE1 . GLU B 2 6   ? 56.643 -0.369  -36.282 1.000 48.700  0 8   GLU BBB OE1 1 ? 1  
ATOM   1634 O OE2 . GLU B 2 6   ? 54.725 0.511   -36.864 1.000 44.275  0 8   GLU BBB OE2 1 ? 1  
ATOM   1635 N N   . SER B 2 7   ? 59.396 -2.699  -40.611 1.000 48.346  0 9   SER BBB N   1 ? 1  
ATOM   1636 C CA  . SER B 2 7   ? 60.760 -2.861  -41.181 1.000 50.006  0 9   SER BBB CA  1 ? 1  
ATOM   1637 C C   . SER B 2 7   ? 60.751 -2.381  -42.630 1.000 47.491  0 9   SER BBB C   1 ? 1  
ATOM   1638 O O   . SER B 2 7   ? 59.644 -2.164  -43.159 1.000 45.802  0 9   SER BBB O   1 ? 1  
ATOM   1639 C CB  . SER B 2 7   ? 61.225 -4.288  -41.093 1.000 51.866  0 9   SER BBB CB  1 ? 1  
ATOM   1640 O OG  . SER B 2 7   ? 60.309 -5.149  -41.752 1.000 50.272  0 9   SER BBB OG  1 ? 1  
ATOM   1641 N N   . GLY B 2 8   ? 61.938 -2.231  -43.227 1.000 48.761  0 10  GLY BBB N   1 ? 1  
ATOM   1642 C CA  . GLY B 2 8   ? 62.126 -1.907  -44.655 1.000 48.182  0 10  GLY BBB CA  1 ? 1  
ATOM   1643 C C   . GLY B 2 8   ? 62.188 -0.407  -44.917 1.000 46.920  0 10  GLY BBB C   1 ? 1  
ATOM   1644 O O   . GLY B 2 8   ? 62.254 -0.016  -46.099 1.000 45.062  0 10  GLY BBB O   1 ? 1  
ATOM   1645 N N   . GLY B 2 9   ? 62.164 0.407   -43.861 1.000 46.915  0 11  GLY BBB N   1 ? 1  
ATOM   1646 C CA  . GLY B 2 9   ? 62.281 1.872   -43.975 1.000 47.006  0 11  GLY BBB CA  1 ? 1  
ATOM   1647 C C   . GLY B 2 9   ? 63.733 2.288   -44.124 1.000 49.547  0 11  GLY BBB C   1 ? 1  
ATOM   1648 O O   . GLY B 2 9   ? 64.574 1.437   -44.492 1.000 52.384  0 11  GLY BBB O   1 ? 1  
ATOM   1649 N N   . GLY B 2 10  ? 64.033 3.546   -43.806 1.000 49.529  0 12  GLY BBB N   1 ? 1  
ATOM   1650 C CA  . GLY B 2 10  ? 65.400 4.094   -43.827 1.000 51.493  0 12  GLY BBB CA  1 ? 1  
ATOM   1651 C C   . GLY B 2 10  ? 65.554 5.149   -44.901 1.000 50.859  0 12  GLY BBB C   1 ? 1  
ATOM   1652 O O   . GLY B 2 10  ? 64.539 5.781   -45.283 1.000 48.382  0 12  GLY BBB O   1 ? 1  
ATOM   1653 N N   . LEU B 2 11  ? 66.784 5.293   -45.384 1.000 53.205  0 13  LEU BBB N   1 ? 1  
ATOM   1654 C CA  . LEU B 2 11  ? 67.260 6.391   -46.258 1.000 54.259  0 13  LEU BBB CA  1 ? 1  
ATOM   1655 C C   . LEU B 2 11  ? 67.026 5.998   -47.721 1.000 53.342  0 13  LEU BBB C   1 ? 1  
ATOM   1656 O O   . LEU B 2 11  ? 67.320 4.847   -48.084 1.000 54.149  0 13  LEU BBB O   1 ? 1  
ATOM   1657 C CB  . LEU B 2 11  ? 68.747 6.588   -45.945 1.000 58.067  0 13  LEU BBB CB  1 ? 1  
ATOM   1658 C CG  . LEU B 2 11  ? 69.328 7.994   -46.085 1.000 59.749  0 13  LEU BBB CG  1 ? 1  
ATOM   1659 C CD1 . LEU B 2 11  ? 68.362 9.066   -45.598 1.000 58.623  0 13  LEU BBB CD1 1 ? 1  
ATOM   1660 C CD2 . LEU B 2 11  ? 70.652 8.087   -45.332 1.000 62.969  0 13  LEU BBB CD2 1 ? 1  
ATOM   1661 N N   . VAL B 2 12  ? 66.509 6.916   -48.531 1.000 52.140  0 14  VAL BBB N   1 ? 1  
ATOM   1662 C CA  . VAL B 2 12  ? 66.326 6.707   -49.997 1.000 52.243  0 14  VAL BBB CA  1 ? 1  
ATOM   1663 C C   . VAL B 2 12  ? 66.382 8.069   -50.695 1.000 52.666  0 14  VAL BBB C   1 ? 1  
ATOM   1664 O O   . VAL B 2 12  ? 66.001 9.083   -50.071 1.000 51.586  0 14  VAL BBB O   1 ? 1  
ATOM   1665 C CB  . VAL B 2 12  ? 65.008 5.962   -50.301 1.000 50.406  0 14  VAL BBB CB  1 ? 1  
ATOM   1666 C CG1 . VAL B 2 12  ? 63.787 6.753   -49.861 1.000 48.359  0 14  VAL BBB CG1 1 ? 1  
ATOM   1667 C CG2 . VAL B 2 12  ? 64.898 5.583   -51.774 1.000 51.219  0 14  VAL BBB CG2 1 ? 1  
ATOM   1668 N N   . GLN B 2 13  ? 66.837 8.088   -51.945 1.000 54.088  0 15  GLN BBB N   1 ? 1  
ATOM   1669 C CA  . GLN B 2 13  ? 66.930 9.328   -52.751 1.000 55.455  0 15  GLN BBB CA  1 ? 1  
ATOM   1670 C C   . GLN B 2 13  ? 65.566 9.626   -53.368 1.000 53.262  0 15  GLN BBB C   1 ? 1  
ATOM   1671 O O   . GLN B 2 13  ? 64.846 8.661   -53.721 1.000 52.105  0 15  GLN BBB O   1 ? 1  
ATOM   1672 C CB  . GLN B 2 13  ? 67.978 9.188   -53.852 1.000 59.495  0 15  GLN BBB CB  1 ? 1  
ATOM   1673 C CG  . GLN B 2 13  ? 69.378 9.579   -53.418 1.000 62.838  0 15  GLN BBB CG  1 ? 1  
ATOM   1674 C CD  . GLN B 2 13  ? 70.287 9.633   -54.620 1.000 67.394  0 15  GLN BBB CD  1 ? 1  
ATOM   1675 O OE1 . GLN B 2 13  ? 69.859 9.358   -55.739 1.000 69.438  0 15  GLN BBB OE1 1 ? 1  
ATOM   1676 N NE2 . GLN B 2 13  ? 71.547 9.984   -54.404 1.000 70.467  0 15  GLN BBB NE2 1 ? 1  
ATOM   1677 N N   . ALA B 2 14  ? 65.229 10.913  -53.480 1.000 52.656  0 16  ALA BBB N   1 ? 1  
ATOM   1678 C CA  . ALA B 2 14  ? 64.063 11.422  -54.238 1.000 51.465  0 16  ALA BBB CA  1 ? 1  
ATOM   1679 C C   . ALA B 2 14  ? 63.965 10.636  -55.549 1.000 51.270  0 16  ALA BBB C   1 ? 1  
ATOM   1680 O O   . ALA B 2 14  ? 64.999 10.532  -56.243 1.000 53.109  0 16  ALA BBB O   1 ? 1  
ATOM   1681 C CB  . ALA B 2 14  ? 64.230 12.902  -54.492 1.000 53.354  0 16  ALA BBB CB  1 ? 1  
ATOM   1682 N N   . GLY B 2 15  ? 62.788 10.078  -55.845 1.000 49.287  0 17  GLY BBB N   1 ? 1  
ATOM   1683 C CA  . GLY B 2 15  ? 62.513 9.303   -57.072 1.000 49.831  0 17  GLY BBB CA  1 ? 1  
ATOM   1684 C C   . GLY B 2 15  ? 62.576 7.803   -56.827 1.000 48.892  0 17  GLY BBB C   1 ? 1  
ATOM   1685 O O   . GLY B 2 15  ? 62.023 7.049   -57.651 1.000 48.970  0 17  GLY BBB O   1 ? 1  
ATOM   1686 N N   . GLY B 2 16  ? 63.205 7.383   -55.724 1.000 47.711  0 18  GLY BBB N   1 ? 1  
ATOM   1687 C CA  . GLY B 2 16  ? 63.470 5.968   -55.402 1.000 47.499  0 18  GLY BBB CA  1 ? 1  
ATOM   1688 C C   . GLY B 2 16  ? 62.264 5.252   -54.812 1.000 45.051  0 18  GLY BBB C   1 ? 1  
ATOM   1689 O O   . GLY B 2 16  ? 61.187 5.870   -54.672 1.000 43.939  0 18  GLY BBB O   1 ? 1  
ATOM   1690 N N   . SER B 2 17  ? 62.451 3.979   -54.470 1.000 44.919  0 19  SER BBB N   1 ? 1  
ATOM   1691 C CA  . SER B 2 17  ? 61.399 3.059   -53.970 1.000 43.536  0 19  SER BBB CA  1 ? 1  
ATOM   1692 C C   . SER B 2 17  ? 61.817 2.469   -52.626 1.000 42.768  0 19  SER BBB C   1 ? 1  
ATOM   1693 O O   . SER B 2 17  ? 63.016 2.264   -52.424 1.000 44.309  0 19  SER BBB O   1 ? 1  
ATOM   1694 C CB  . SER B 2 17  ? 61.122 1.965   -54.964 1.000 45.026  0 19  SER BBB CB  1 ? 1  
ATOM   1695 O OG  . SER B 2 17  ? 60.379 2.463   -56.065 1.000 46.068  0 19  SER BBB OG  1 ? 1  
ATOM   1696 N N   . LEU B 2 18  ? 60.840 2.215   -51.757 1.000 41.471  0 20  LEU BBB N   1 ? 1  
ATOM   1697 C CA  . LEU B 2 18  ? 60.994 1.400   -50.529 1.000 41.770  0 20  LEU BBB CA  1 ? 1  
ATOM   1698 C C   . LEU B 2 18  ? 59.793 0.475   -50.394 1.000 40.383  0 20  LEU BBB C   1 ? 1  
ATOM   1699 O O   . LEU B 2 18  ? 58.748 0.747   -50.993 1.000 38.388  0 20  LEU BBB O   1 ? 1  
ATOM   1700 C CB  . LEU B 2 18  ? 61.066 2.305   -49.303 1.000 41.354  0 20  LEU BBB CB  1 ? 1  
ATOM   1701 C CG  . LEU B 2 18  ? 62.379 3.046   -49.092 1.000 43.356  0 20  LEU BBB CG  1 ? 1  
ATOM   1702 C CD1 . LEU B 2 18  ? 62.227 4.023   -47.929 1.000 43.097  0 20  LEU BBB CD1 1 ? 1  
ATOM   1703 C CD2 . LEU B 2 18  ? 63.522 2.072   -48.855 1.000 45.722  0 20  LEU BBB CD2 1 ? 1  
ATOM   1704 N N   . ARG B 2 19  ? 59.956 -0.560  -49.586 1.000 41.849  0 21  ARG BBB N   1 ? 1  
ATOM   1705 C CA  . ARG B 2 19  ? 58.884 -1.529  -49.286 1.000 42.477  0 21  ARG BBB CA  1 ? 1  
ATOM   1706 C C   . ARG B 2 19  ? 58.874 -1.747  -47.781 1.000 40.285  0 21  ARG BBB C   1 ? 1  
ATOM   1707 O O   . ARG B 2 19  ? 59.820 -2.358  -47.277 1.000 41.131  0 21  ARG BBB O   1 ? 1  
ATOM   1708 C CB  . ARG B 2 19  ? 59.138 -2.824  -50.053 1.000 46.736  0 21  ARG BBB CB  1 ? 1  
ATOM   1709 C CG  . ARG B 2 19  ? 57.996 -3.818  -49.985 1.000 49.391  0 21  ARG BBB CG  1 ? 1  
ATOM   1710 C CD  . ARG B 2 19  ? 58.387 -5.003  -50.829 1.000 55.771  0 21  ARG BBB CD  1 ? 1  
ATOM   1711 N NE  . ARG B 2 19  ? 57.451 -6.097  -50.707 1.000 62.016  0 21  ARG BBB NE  1 ? 1  
ATOM   1712 C CZ  . ARG B 2 19  ? 56.240 -6.136  -51.263 1.000 68.427  0 21  ARG BBB CZ  1 ? 1  
ATOM   1713 N NH1 . ARG B 2 19  ? 55.786 -5.111  -51.973 1.000 69.297  0 21  ARG BBB NH1 1 ? 1  
ATOM   1714 N NH2 . ARG B 2 19  ? 55.482 -7.212  -51.099 1.000 71.324  0 21  ARG BBB NH2 1 ? 1  
ATOM   1715 N N   . LEU B 2 20  ? 57.872 -1.200  -47.106 1.000 37.759  0 22  LEU BBB N   1 ? 1  
ATOM   1716 C CA  . LEU B 2 20  ? 57.688 -1.398  -45.652 1.000 37.565  0 22  LEU BBB CA  1 ? 1  
ATOM   1717 C C   . LEU B 2 20  ? 56.958 -2.736  -45.475 1.000 37.364  0 22  LEU BBB C   1 ? 1  
ATOM   1718 O O   . LEU B 2 20  ? 56.085 -3.062  -46.303 1.000 35.998  0 22  LEU BBB O   1 ? 1  
ATOM   1719 C CB  . LEU B 2 20  ? 56.890 -0.235  -45.046 1.000 35.989  0 22  LEU BBB CB  1 ? 1  
ATOM   1720 C CG  . LEU B 2 20  ? 57.411 1.178   -45.333 1.000 35.920  0 22  LEU BBB CG  1 ? 1  
ATOM   1721 C CD1 . LEU B 2 20  ? 56.630 2.227   -44.558 1.000 35.151  0 22  LEU BBB CD1 1 ? 1  
ATOM   1722 C CD2 . LEU B 2 20  ? 58.881 1.291   -45.005 1.000 38.211  0 22  LEU BBB CD2 1 ? 1  
ATOM   1723 N N   . ALA B 2 21  ? 57.316 -3.472  -44.433 1.000 38.533  0 23  ALA BBB N   1 ? 1  
ATOM   1724 C CA  . ALA B 2 21  ? 56.620 -4.693  -43.984 1.000 39.170  0 23  ALA BBB CA  1 ? 1  
ATOM   1725 C C   . ALA B 2 21  ? 56.246 -4.508  -42.517 1.000 39.147  0 23  ALA BBB C   1 ? 1  
ATOM   1726 O O   . ALA B 2 21  ? 57.020 -3.894  -41.767 1.000 40.045  0 23  ALA BBB O   1 ? 1  
ATOM   1727 C CB  . ALA B 2 21  ? 57.493 -5.905  -44.185 1.000 41.449  0 23  ALA BBB CB  1 ? 1  
ATOM   1728 N N   . CYS B 2 22  ? 55.084 -5.017  -42.137 1.000 39.192  0 24  CYS BBB N   1 ? 1  
ATOM   1729 C CA  . CYS B 2 22  ? 54.638 -5.107  -40.727 1.000 40.488  0 24  CYS BBB CA  1 ? 1  
ATOM   1730 C C   . CYS B 2 22  ? 54.127 -6.527  -40.485 1.000 41.115  0 24  CYS BBB C   1 ? 1  
ATOM   1731 O O   . CYS B 2 22  ? 53.168 -6.928  -41.185 1.000 39.394  0 24  CYS BBB O   1 ? 1  
ATOM   1732 C CB  . CYS B 2 22  ? 53.578 -4.045  -40.466 1.000 39.155  0 24  CYS BBB CB  1 ? 1  
ATOM   1733 S SG  . CYS B 2 22  ? 52.742 -4.162  -38.865 1.000 41.275  0 24  CYS BBB SG  1 ? 1  
ATOM   1734 N N   . ILE B 2 23  ? 54.753 -7.251  -39.553 1.000 44.455  0 25  ILE BBB N   1 ? 1  
ATOM   1735 C CA  . ILE B 2 23  ? 54.305 -8.603  -39.108 1.000 46.347  0 25  ILE BBB CA  1 ? 1  
ATOM   1736 C C   . ILE B 2 23  ? 53.424 -8.415  -37.875 1.000 46.097  0 25  ILE BBB C   1 ? 1  
ATOM   1737 O O   . ILE B 2 23  ? 53.886 -7.785  -36.909 1.000 45.281  0 25  ILE BBB O   1 ? 1  
ATOM   1738 C CB  . ILE B 2 23  ? 55.492 -9.548  -38.832 1.000 51.212  0 25  ILE BBB CB  1 ? 1  
ATOM   1739 C CG1 . ILE B 2 23  ? 56.433 -9.628  -40.036 1.000 52.091  0 25  ILE BBB CG1 1 ? 1  
ATOM   1740 C CG2 . ILE B 2 23  ? 55.006 -10.929 -38.409 1.000 52.916  0 25  ILE BBB CG2 1 ? 1  
ATOM   1741 C CD1 . ILE B 2 23  ? 57.816 -10.144 -39.703 1.000 55.832  0 25  ILE BBB CD1 1 ? 1  
ATOM   1742 N N   . ALA B 2 24  ? 52.189 -8.917  -37.959 1.000 46.128  0 26  ALA BBB N   1 ? 1  
ATOM   1743 C CA  . ALA B 2 24  ? 51.159 -8.909  -36.894 1.000 47.535  0 26  ALA BBB CA  1 ? 1  
ATOM   1744 C C   . ALA B 2 24  ? 51.089 -10.307 -36.277 1.000 52.082  0 26  ALA BBB C   1 ? 1  
ATOM   1745 O O   . ALA B 2 24  ? 51.063 -11.285 -37.043 1.000 58.217  0 26  ALA BBB O   1 ? 1  
ATOM   1746 C CB  . ALA B 2 24  ? 49.837 -8.487  -37.484 1.000 44.932  0 26  ALA BBB CB  1 ? 1  
ATOM   1747 N N   . SER B 2 25  ? 51.106 -10.396 -34.947 1.000 53.764  0 27  SER BBB N   1 ? 1  
ATOM   1748 C CA  . SER B 2 25  ? 51.354 -11.642 -34.182 1.000 56.613  0 27  SER BBB CA  1 ? 1  
ATOM   1749 C C   . SER B 2 25  ? 50.392 -11.718 -32.993 1.000 55.842  0 27  SER BBB C   1 ? 1  
ATOM   1750 O O   . SER B 2 25  ? 50.147 -10.669 -32.393 1.000 53.729  0 27  SER BBB O   1 ? 1  
ATOM   1751 C CB  . SER B 2 25  ? 52.796 -11.662 -33.741 1.000 61.410  0 27  SER BBB CB  1 ? 1  
ATOM   1752 O OG  . SER B 2 25  ? 53.590 -10.908 -34.661 1.000 63.289  0 27  SER BBB OG  1 ? 1  
ATOM   1753 N N   . GLY B 2 26  ? 49.875 -12.911 -32.668 1.000 56.229  0 28  GLY BBB N   1 ? 1  
ATOM   1754 C CA  . GLY B 2 26  ? 49.125 -13.160 -31.421 1.000 57.147  0 28  GLY BBB CA  1 ? 1  
ATOM   1755 C C   . GLY B 2 26  ? 47.643 -13.462 -31.617 1.000 54.681  0 28  GLY BBB C   1 ? 1  
ATOM   1756 O O   . GLY B 2 26  ? 47.044 -13.970 -30.654 1.000 56.144  0 28  GLY BBB O   1 ? 1  
ATOM   1757 N N   . ARG B 2 27  ? 47.060 -13.152 -32.782 1.000 50.771  0 29  ARG BBB N   1 ? 1  
ATOM   1758 C CA  . ARG B 2 27  ? 45.628 -13.403 -33.123 1.000 48.855  0 29  ARG BBB CA  1 ? 1  
ATOM   1759 C C   . ARG B 2 27  ? 45.534 -13.743 -34.608 1.000 46.141  0 29  ARG BBB C   1 ? 1  
ATOM   1760 O O   . ARG B 2 27  ? 46.467 -13.384 -35.317 1.000 46.762  0 29  ARG BBB O   1 ? 1  
ATOM   1761 C CB  . ARG B 2 27  ? 44.750 -12.171 -32.866 1.000 47.015  0 29  ARG BBB CB  1 ? 1  
ATOM   1762 C CG  . ARG B 2 27  ? 44.495 -11.877 -31.394 1.000 49.907  0 29  ARG BBB CG  1 ? 1  
ATOM   1763 C CD  . ARG B 2 27  ? 43.744 -12.997 -30.692 1.000 52.995  0 29  ARG BBB CD  1 ? 1  
ATOM   1764 N NE  . ARG B 2 27  ? 43.296 -12.613 -29.358 1.000 55.829  0 29  ARG BBB NE  1 ? 1  
ATOM   1765 C CZ  . ARG B 2 27  ? 43.987 -12.783 -28.231 1.000 60.524  0 29  ARG BBB CZ  1 ? 1  
ATOM   1766 N NH1 . ARG B 2 27  ? 45.182 -13.355 -28.241 1.000 62.403  0 29  ARG BBB NH1 1 ? 1  
ATOM   1767 N NH2 . ARG B 2 27  ? 43.465 -12.389 -27.080 1.000 63.339  0 29  ARG BBB NH2 1 ? 1  
ATOM   1768 N N   . THR B 2 28  ? 44.441 -14.373 -35.055 1.000 44.573  0 30  THR BBB N   1 ? 1  
ATOM   1769 C CA  . THR B 2 28  ? 44.210 -14.750 -36.479 1.000 42.764  0 30  THR BBB CA  1 ? 1  
ATOM   1770 C C   . THR B 2 28  ? 44.352 -13.497 -37.355 1.000 39.862  0 30  THR BBB C   1 ? 1  
ATOM   1771 O O   . THR B 2 28  ? 43.496 -12.586 -37.242 1.000 37.430  0 30  THR BBB O   1 ? 1  
ATOM   1772 C CB  . THR B 2 28  ? 42.833 -15.385 -36.692 1.000 42.221  0 30  THR BBB CB  1 ? 1  
ATOM   1773 O OG1 . THR B 2 28  ? 42.712 -16.544 -35.868 1.000 45.450  0 30  THR BBB OG1 1 ? 1  
ATOM   1774 C CG2 . THR B 2 28  ? 42.613 -15.744 -38.142 1.000 41.626  0 30  THR BBB CG2 1 ? 1  
ATOM   1775 N N   . PHE B 2 29  ? 45.390 -13.446 -38.190 1.000 39.642  0 31  PHE BBB N   1 ? 1  
ATOM   1776 C CA  . PHE B 2 29  ? 45.785 -12.228 -38.945 1.000 37.828  0 31  PHE BBB CA  1 ? 1  
ATOM   1777 C C   . PHE B 2 29  ? 44.652 -11.786 -39.868 1.000 35.768  0 31  PHE BBB C   1 ? 1  
ATOM   1778 O O   . PHE B 2 29  ? 44.413 -10.548 -39.968 1.000 34.214  0 31  PHE BBB O   1 ? 1  
ATOM   1779 C CB  . PHE B 2 29  ? 47.080 -12.491 -39.710 1.000 38.989  0 31  PHE BBB CB  1 ? 1  
ATOM   1780 C CG  . PHE B 2 29  ? 47.525 -11.372 -40.614 1.000 37.350  0 31  PHE BBB CG  1 ? 1  
ATOM   1781 C CD1 . PHE B 2 29  ? 48.040 -10.201 -40.084 1.000 36.930  0 31  PHE BBB CD1 1 ? 1  
ATOM   1782 C CD2 . PHE B 2 29  ? 47.475 -11.514 -41.995 1.000 36.817  0 31  PHE BBB CD2 1 ? 1  
ATOM   1783 C CE1 . PHE B 2 29  ? 48.480 -9.183  -40.914 1.000 36.063  0 31  PHE BBB CE1 1 ? 1  
ATOM   1784 C CE2 . PHE B 2 29  ? 47.927 -10.501 -42.825 1.000 36.246  0 31  PHE BBB CE2 1 ? 1  
ATOM   1785 C CZ  . PHE B 2 29  ? 48.409 -9.328  -42.281 1.000 35.444  0 31  PHE BBB CZ  1 ? 1  
ATOM   1786 N N   . HIS B 2 30  ? 43.966 -12.728 -40.526 1.000 36.091  0 32  HIS BBB N   1 ? 1  
ATOM   1787 C CA  . HIS B 2 30  ? 42.867 -12.391 -41.478 1.000 35.152  0 32  HIS BBB CA  1 ? 1  
ATOM   1788 C C   . HIS B 2 30  ? 41.647 -11.876 -40.710 1.000 33.480  0 32  HIS BBB C   1 ? 1  
ATOM   1789 O O   . HIS B 2 30  ? 40.699 -11.426 -41.394 1.000 32.870  0 32  HIS BBB O   1 ? 1  
ATOM   1790 C CB  . HIS B 2 30  ? 42.519 -13.534 -42.457 1.000 37.084  0 32  HIS BBB CB  1 ? 1  
ATOM   1791 C CG  . HIS B 2 30  ? 42.029 -14.811 -41.849 1.000 39.033  0 32  HIS BBB CG  1 ? 1  
ATOM   1792 N ND1 . HIS B 2 30  ? 40.772 -14.938 -41.266 1.000 39.982  0 32  HIS BBB ND1 1 ? 1  
ATOM   1793 C CD2 . HIS B 2 30  ? 42.607 -16.024 -41.762 1.000 41.580  0 32  HIS BBB CD2 1 ? 1  
ATOM   1794 C CE1 . HIS B 2 30  ? 40.613 -16.178 -40.842 1.000 41.187  0 32  HIS BBB CE1 1 ? 1  
ATOM   1795 N NE2 . HIS B 2 30  ? 41.724 -16.865 -41.135 1.000 42.880  0 32  HIS BBB NE2 1 ? 1  
ATOM   1796 N N   . SER B 2 31  ? 41.666 -11.860 -39.372 1.000 33.556  0 33  SER BBB N   1 ? 1  
ATOM   1797 C CA  . SER B 2 31  ? 40.621 -11.173 -38.557 1.000 33.205  0 33  SER BBB CA  1 ? 1  
ATOM   1798 C C   . SER B 2 31  ? 40.888 -9.658  -38.455 1.000 31.601  0 33  SER BBB C   1 ? 1  
ATOM   1799 O O   . SER B 2 31  ? 40.009 -8.975  -37.914 1.000 30.778  0 33  SER BBB O   1 ? 1  
ATOM   1800 C CB  . SER B 2 31  ? 40.476 -11.761 -37.187 1.000 35.279  0 33  SER BBB CB  1 ? 1  
ATOM   1801 O OG  . SER B 2 31  ? 40.005 -13.107 -37.283 1.000 38.926  0 33  SER BBB OG  1 ? 1  
ATOM   1802 N N   . TYR B 2 32  ? 42.034 -9.153  -38.939 1.000 31.127  0 34  TYR BBB N   1 ? 1  
ATOM   1803 C CA  . TYR B 2 32  ? 42.449 -7.730  -38.724 1.000 30.459  0 34  TYR BBB CA  1 ? 1  
ATOM   1804 C C   . TYR B 2 32  ? 42.513 -6.951  -40.036 1.000 28.506  0 34  TYR BBB C   1 ? 1  
ATOM   1805 O O   . TYR B 2 32  ? 43.065 -7.452  -41.010 1.000 27.825  0 34  TYR BBB O   1 ? 1  
ATOM   1806 C CB  . TYR B 2 32  ? 43.764 -7.634  -37.949 1.000 32.081  0 34  TYR BBB CB  1 ? 1  
ATOM   1807 C CG  . TYR B 2 32  ? 43.548 -8.060  -36.527 1.000 35.052  0 34  TYR BBB CG  1 ? 1  
ATOM   1808 C CD1 . TYR B 2 32  ? 43.462 -9.409  -36.204 1.000 37.959  0 34  TYR BBB CD1 1 ? 1  
ATOM   1809 C CD2 . TYR B 2 32  ? 43.310 -7.131  -35.528 1.000 35.859  0 34  TYR BBB CD2 1 ? 1  
ATOM   1810 C CE1 . TYR B 2 32  ? 43.187 -9.828  -34.913 1.000 39.805  0 34  TYR BBB CE1 1 ? 1  
ATOM   1811 C CE2 . TYR B 2 32  ? 43.043 -7.533  -34.229 1.000 39.161  0 34  TYR BBB CE2 1 ? 1  
ATOM   1812 C CZ  . TYR B 2 32  ? 42.984 -8.884  -33.918 1.000 41.326  0 34  TYR BBB CZ  1 ? 1  
ATOM   1813 O OH  . TYR B 2 32  ? 42.715 -9.289  -32.637 1.000 44.672  0 34  TYR BBB OH  1 ? 1  
ATOM   1814 N N   . VAL B 2 33  ? 41.948 -5.744  -40.003 1.000 27.637  0 35  VAL BBB N   1 ? 1  
ATOM   1815 C CA  . VAL B 2 33  ? 42.177 -4.661  -41.004 1.000 26.776  0 35  VAL BBB CA  1 ? 1  
ATOM   1816 C C   . VAL B 2 33  ? 43.535 -4.041  -40.661 1.000 26.756  0 35  VAL BBB C   1 ? 1  
ATOM   1817 O O   . VAL B 2 33  ? 43.748 -3.692  -39.485 1.000 27.013  0 35  VAL BBB O   1 ? 1  
ATOM   1818 C CB  . VAL B 2 33  ? 41.042 -3.623  -40.978 1.000 26.625  0 35  VAL BBB CB  1 ? 1  
ATOM   1819 C CG1 . VAL B 2 33  ? 41.311 -2.433  -41.891 1.000 26.398  0 35  VAL BBB CG1 1 ? 1  
ATOM   1820 C CG2 . VAL B 2 33  ? 39.704 -4.257  -41.299 1.000 26.798  0 35  VAL BBB CG2 1 ? 1  
ATOM   1821 N N   . MET B 2 34  ? 44.426 -3.966  -41.643 1.000 26.653  0 36  MET BBB N   1 ? 1  
ATOM   1822 C CA  . MET B 2 34  ? 45.805 -3.456  -41.481 1.000 27.264  0 36  MET BBB CA  1 ? 1  
ATOM   1823 C C   . MET B 2 34  ? 45.913 -2.086  -42.168 1.000 26.945  0 36  MET BBB C   1 ? 1  
ATOM   1824 O O   . MET B 2 34  ? 45.233 -1.840  -43.192 1.000 26.572  0 36  MET BBB O   1 ? 1  
ATOM   1825 C CB  . MET B 2 34  ? 46.818 -4.437  -42.066 1.000 28.146  0 36  MET BBB CB  1 ? 1  
ATOM   1826 C CG  . MET B 2 34  ? 46.732 -5.830  -41.452 1.000 29.383  0 36  MET BBB CG  1 ? 1  
ATOM   1827 S SD  . MET B 2 34  ? 46.891 -5.872  -39.664 1.000 31.615  0 36  MET BBB SD  1 ? 1  
ATOM   1828 C CE  . MET B 2 34  ? 48.501 -5.128  -39.413 1.000 32.271  0 36  MET BBB CE  1 ? 1  
ATOM   1829 N N   . ALA B 2 35  ? 46.670 -1.179  -41.567 1.000 27.240  0 37  ALA BBB N   1 ? 1  
ATOM   1830 C CA  . ALA B 2 35  ? 46.814 0.192   -42.094 1.000 26.859  0 37  ALA BBB CA  1 ? 1  
ATOM   1831 C C   . ALA B 2 35  ? 48.235 0.703   -41.881 1.000 27.606  0 37  ALA BBB C   1 ? 1  
ATOM   1832 O O   . ALA B 2 35  ? 48.988 0.140   -41.049 1.000 28.272  0 37  ALA BBB O   1 ? 1  
ATOM   1833 C CB  . ALA B 2 35  ? 45.782 1.089   -41.465 1.000 27.612  0 37  ALA BBB CB  1 ? 1  
ATOM   1834 N N   . TRP B 2 36  ? 48.588 1.721   -42.671 1.000 27.398  0 38  TRP BBB N   1 ? 1  
ATOM   1835 C CA  . TRP B 2 36  ? 49.814 2.530   -42.510 1.000 28.204  0 38  TRP BBB CA  1 ? 1  
ATOM   1836 C C   . TRP B 2 36  ? 49.387 3.973   -42.266 1.000 28.298  0 38  TRP BBB C   1 ? 1  
ATOM   1837 O O   . TRP B 2 36  ? 48.456 4.457   -42.962 1.000 27.648  0 38  TRP BBB O   1 ? 1  
ATOM   1838 C CB  . TRP B 2 36  ? 50.735 2.418   -43.724 1.000 28.399  0 38  TRP BBB CB  1 ? 1  
ATOM   1839 C CG  . TRP B 2 36  ? 51.335 1.060   -43.856 1.000 28.807  0 38  TRP BBB CG  1 ? 1  
ATOM   1840 C CD1 . TRP B 2 36  ? 50.844 0.014   -44.582 1.000 28.811  0 38  TRP BBB CD1 1 ? 1  
ATOM   1841 C CD2 . TRP B 2 36  ? 52.497 0.574   -43.177 1.000 30.077  0 38  TRP BBB CD2 1 ? 1  
ATOM   1842 N NE1 . TRP B 2 36  ? 51.640 -1.083  -44.425 1.000 29.306  0 38  TRP BBB NE1 1 ? 1  
ATOM   1843 C CE2 . TRP B 2 36  ? 52.661 -0.775  -43.564 1.000 30.690  0 38  TRP BBB CE2 1 ? 1  
ATOM   1844 C CE3 . TRP B 2 36  ? 53.414 1.137   -42.288 1.000 31.644  0 38  TRP BBB CE3 1 ? 1  
ATOM   1845 C CZ2 . TRP B 2 36  ? 53.724 -1.550  -43.114 1.000 32.123  0 38  TRP BBB CZ2 1 ? 1  
ATOM   1846 C CZ3 . TRP B 2 36  ? 54.466 0.369   -41.844 1.000 33.180  0 38  TRP BBB CZ3 1 ? 1  
ATOM   1847 C CH2 . TRP B 2 36  ? 54.613 -0.959  -42.246 1.000 33.688  0 38  TRP BBB CH2 1 ? 1  
ATOM   1848 N N   . PHE B 2 37  ? 49.994 4.582   -41.262 1.000 31.471  0 39  PHE BBB N   1 ? 2  
ATOM   1849 C CA  . PHE B 2 37  ? 49.905 6.033   -40.982 1.000 31.370  0 39  PHE BBB CA  1 ? 2  
ATOM   1850 C C   . PHE B 2 37  ? 51.326 6.579   -41.018 1.000 32.192  0 39  PHE BBB C   1 ? 2  
ATOM   1851 O O   . PHE B 2 37  ? 52.289 5.781   -40.978 1.000 32.624  0 39  PHE BBB O   1 ? 2  
ATOM   1852 C CB  . PHE B 2 37  ? 49.257 6.296   -39.623 1.000 31.786  0 39  PHE BBB CB  1 ? 2  
ATOM   1853 C CG  . PHE B 2 37  ? 47.772 6.057   -39.572 1.000 32.296  0 39  PHE BBB CG  1 ? 2  
ATOM   1854 C CD1 . PHE B 2 37  ? 47.266 4.772   -39.438 1.000 32.983  0 39  PHE BBB CD1 1 ? 2  
ATOM   1855 C CD2 . PHE B 2 37  ? 46.879 7.120   -39.614 1.000 32.533  0 39  PHE BBB CD2 1 ? 2  
ATOM   1856 C CE1 . PHE B 2 37  ? 45.898 4.553   -39.363 1.000 34.365  0 39  PHE BBB CE1 1 ? 2  
ATOM   1857 C CE2 . PHE B 2 37  ? 45.511 6.900   -39.543 1.000 33.848  0 39  PHE BBB CE2 1 ? 2  
ATOM   1858 C CZ  . PHE B 2 37  ? 45.024 5.617   -39.412 1.000 34.864  0 39  PHE BBB CZ  1 ? 2  
ATOM   1859 N N   . ARG B 2 38  ? 51.456 7.900   -41.098 1.000 32.714  0 40  ARG BBB N   1 ? 2  
ATOM   1860 C CA  . ARG B 2 38  ? 52.789 8.543   -41.101 1.000 34.347  0 40  ARG BBB CA  1 ? 2  
ATOM   1861 C C   . ARG B 2 38  ? 52.676 9.852   -40.332 1.000 35.117  0 40  ARG BBB C   1 ? 2  
ATOM   1862 O O   . ARG B 2 38  ? 51.594 10.455  -40.363 1.000 34.270  0 40  ARG BBB O   1 ? 2  
ATOM   1863 C CB  . ARG B 2 38  ? 53.339 8.715   -42.519 1.000 35.593  0 40  ARG BBB CB  1 ? 2  
ATOM   1864 C CG  . ARG B 2 38  ? 52.735 9.855   -43.325 1.000 36.505  0 40  ARG BBB CG  1 ? 2  
ATOM   1865 C CD  . ARG B 2 38  ? 53.314 9.829   -44.726 1.000 38.390  0 40  ARG BBB CD  1 ? 2  
ATOM   1866 N NE  . ARG B 2 38  ? 52.604 10.741  -45.609 1.000 40.049  0 40  ARG BBB NE  1 ? 2  
ATOM   1867 C CZ  . ARG B 2 38  ? 52.943 11.000  -46.861 1.000 42.484  0 40  ARG BBB CZ  1 ? 2  
ATOM   1868 N NH1 . ARG B 2 38  ? 53.998 10.424  -47.405 1.000 44.181  0 40  ARG BBB NH1 1 ? 2  
ATOM   1869 N NH2 . ARG B 2 38  ? 52.208 11.828  -47.579 1.000 44.883  0 40  ARG BBB NH2 1 ? 2  
ATOM   1870 N N   . GLN B 2 39  ? 53.742 10.201  -39.619 1.000 37.278  0 41  GLN BBB N   1 ? 2  
ATOM   1871 C CA  . GLN B 2 39  ? 53.792 11.395  -38.744 1.000 39.008  0 41  GLN BBB CA  1 ? 2  
ATOM   1872 C C   . GLN B 2 39  ? 55.096 12.139  -39.025 1.000 40.642  0 41  GLN BBB C   1 ? 2  
ATOM   1873 O O   . GLN B 2 39  ? 56.169 11.584  -38.709 1.000 40.850  0 41  GLN BBB O   1 ? 2  
ATOM   1874 C CB  . GLN B 2 39  ? 53.668 10.973  -37.281 1.000 40.255  0 41  GLN BBB CB  1 ? 2  
ATOM   1875 C CG  . GLN B 2 39  ? 53.545 12.157  -36.335 1.000 42.064  0 41  GLN BBB CG  1 ? 2  
ATOM   1876 C CD  . GLN B 2 39  ? 53.128 11.732  -34.950 1.000 44.195  0 41  GLN BBB CD  1 ? 2  
ATOM   1877 O OE1 . GLN B 2 39  ? 53.542 10.691  -34.451 1.000 46.551  0 41  GLN BBB OE1 1 ? 2  
ATOM   1878 N NE2 . GLN B 2 39  ? 52.300 12.544  -34.312 1.000 45.476  0 41  GLN BBB NE2 1 ? 2  
ATOM   1879 N N   . ALA B 2 40  ? 54.979 13.321  -39.631 1.000 42.073  0 42  ALA BBB N   1 ? 2  
ATOM   1880 C CA  . ALA B 2 40  ? 56.070 14.302  -39.820 1.000 44.856  0 42  ALA BBB CA  1 ? 2  
ATOM   1881 C C   . ALA B 2 40  ? 56.264 15.098  -38.530 1.000 45.774  0 42  ALA BBB C   1 ? 2  
ATOM   1882 O O   . ALA B 2 40  ? 55.349 15.186  -37.717 1.000 43.954  0 42  ALA BBB O   1 ? 2  
ATOM   1883 C CB  . ALA B 2 40  ? 55.731 15.205  -40.980 1.000 46.912  0 42  ALA BBB CB  1 ? 2  
ATOM   1884 N N   . PRO B 2 41  ? 57.464 15.678  -38.291 1.000 48.311  0 43  PRO BBB N   1 ? 2  
ATOM   1885 C CA  . PRO B 2 41  ? 57.716 16.544  -37.132 1.000 50.573  0 43  PRO BBB CA  1 ? 2  
ATOM   1886 C C   . PRO B 2 41  ? 56.627 17.584  -36.827 1.000 50.459  0 43  PRO BBB C   1 ? 2  
ATOM   1887 O O   . PRO B 2 41  ? 56.268 18.335  -37.709 1.000 51.230  0 43  PRO BBB O   1 ? 2  
ATOM   1888 C CB  . PRO B 2 41  ? 59.014 17.260  -37.538 1.000 53.494  0 43  PRO BBB CB  1 ? 2  
ATOM   1889 C CG  . PRO B 2 41  ? 59.757 16.219  -38.359 1.000 53.663  0 43  PRO BBB CG  1 ? 2  
ATOM   1890 C CD  . PRO B 2 41  ? 58.677 15.456  -39.095 1.000 50.906  0 43  PRO BBB CD  1 ? 2  
ATOM   1891 N N   . GLY B 2 42  ? 56.118 17.580  -35.592 1.000 51.472  0 44  GLY BBB N   1 ? 2  
ATOM   1892 C CA  . GLY B 2 42  ? 55.109 18.537  -35.098 1.000 53.518  0 44  GLY BBB CA  1 ? 2  
ATOM   1893 C C   . GLY B 2 42  ? 53.741 18.373  -35.748 1.000 53.270  0 44  GLY BBB C   1 ? 2  
ATOM   1894 O O   . GLY B 2 42  ? 52.860 19.198  -35.449 1.000 53.635  0 44  GLY BBB O   1 ? 2  
ATOM   1895 N N   . LYS B 2 43  ? 53.544 17.347  -36.583 1.000 53.308  0 45  LYS BBB N   1 ? 2  
ATOM   1896 C CA  . LYS B 2 43  ? 52.267 17.079  -37.308 1.000 54.128  0 45  LYS BBB CA  1 ? 2  
ATOM   1897 C C   . LYS B 2 43  ? 51.496 15.946  -36.620 1.000 51.703  0 45  LYS BBB C   1 ? 2  
ATOM   1898 O O   . LYS B 2 43  ? 52.094 15.235  -35.784 1.000 50.976  0 45  LYS BBB O   1 ? 2  
ATOM   1899 C CB  . LYS B 2 43  ? 52.531 16.679  -38.764 1.000 56.020  0 45  LYS BBB CB  1 ? 2  
ATOM   1900 C CG  . LYS B 2 43  ? 52.941 17.817  -39.686 1.000 61.092  0 45  LYS BBB CG  1 ? 2  
ATOM   1901 C CD  . LYS B 2 43  ? 52.511 17.587  -41.121 1.000 64.204  0 45  LYS BBB CD  1 ? 2  
ATOM   1902 C CE  . LYS B 2 43  ? 52.591 18.848  -41.953 1.000 68.546  0 45  LYS BBB CE  1 ? 2  
ATOM   1903 N NZ  . LYS B 2 43  ? 53.841 19.594  -41.678 1.000 72.635  0 45  LYS BBB NZ  1 ? 2  
ATOM   1904 N N   . GLU B 2 44  ? 50.217 15.782  -36.968 1.000 51.636  0 46  GLU BBB N   1 ? 2  
ATOM   1905 C CA  . GLU B 2 44  ? 49.382 14.636  -36.516 1.000 52.323  0 46  GLU BBB CA  1 ? 2  
ATOM   1906 C C   . GLU B 2 44  ? 49.684 13.433  -37.407 1.000 48.303  0 46  GLU BBB C   1 ? 2  
ATOM   1907 O O   . GLU B 2 44  ? 50.204 13.635  -38.520 1.000 47.240  0 46  GLU BBB O   1 ? 2  
ATOM   1908 C CB  . GLU B 2 44  ? 47.891 14.979  -36.545 1.000 55.900  0 46  GLU BBB CB  1 ? 2  
ATOM   1909 C CG  . GLU B 2 44  ? 47.509 16.098  -35.588 1.000 62.742  0 46  GLU BBB CG  1 ? 2  
ATOM   1910 C CD  . GLU B 2 44  ? 48.077 15.985  -34.179 1.000 67.183  0 46  GLU BBB CD  1 ? 2  
ATOM   1911 O OE1 . GLU B 2 44  ? 47.745 14.986  -33.494 1.000 70.590  0 46  GLU BBB OE1 1 ? 2  
ATOM   1912 O OE2 . GLU B 2 44  ? 48.861 16.885  -33.770 1.000 71.423  0 46  GLU BBB OE2 1 ? 2  
ATOM   1913 N N   . ARG B 2 45  ? 49.389 12.233  -36.900 1.000 47.153  0 47  ARG BBB N   1 ? 2  
ATOM   1914 C CA  . ARG B 2 45  ? 49.443 10.971  -37.671 1.000 46.130  0 47  ARG BBB CA  1 ? 2  
ATOM   1915 C C   . ARG B 2 45  ? 48.486 11.122  -38.853 1.000 45.159  0 47  ARG BBB C   1 ? 2  
ATOM   1916 O O   . ARG B 2 45  ? 47.286 11.331  -38.622 1.000 49.835  0 47  ARG BBB O   1 ? 2  
ATOM   1917 C CB  . ARG B 2 45  ? 49.077 9.771   -36.793 1.000 48.116  0 47  ARG BBB CB  1 ? 2  
ATOM   1918 C CG  . ARG B 2 45  ? 50.187 9.291   -35.870 1.000 50.930  0 47  ARG BBB CG  1 ? 2  
ATOM   1919 C CD  . ARG B 2 45  ? 49.589 8.390   -34.810 1.000 56.410  0 47  ARG BBB CD  1 ? 2  
ATOM   1920 N NE  . ARG B 2 45  ? 50.483 7.394   -34.233 1.000 60.231  0 47  ARG BBB NE  1 ? 2  
ATOM   1921 C CZ  . ARG B 2 45  ? 51.369 7.628   -33.273 1.000 63.619  0 47  ARG BBB CZ  1 ? 2  
ATOM   1922 N NH1 . ARG B 2 45  ? 51.533 8.849   -32.791 1.000 68.203  0 47  ARG BBB NH1 1 ? 2  
ATOM   1923 N NH2 . ARG B 2 45  ? 52.103 6.637   -32.806 1.000 66.577  0 47  ARG BBB NH2 1 ? 2  
ATOM   1924 N N   . GLU B 2 46  ? 49.016 11.027  -40.068 1.000 42.616  0 48  GLU BBB N   1 ? 2  
ATOM   1925 C CA  . GLU B 2 46  ? 48.259 11.174  -41.333 1.000 42.358  0 48  GLU BBB CA  1 ? 2  
ATOM   1926 C C   . GLU B 2 46  ? 48.037 9.779   -41.936 1.000 38.516  0 48  GLU BBB C   1 ? 2  
ATOM   1927 O O   . GLU B 2 46  ? 48.979 8.996   -41.989 1.000 34.482  0 48  GLU BBB O   1 ? 2  
ATOM   1928 C CB  . GLU B 2 46  ? 49.039 12.119  -42.242 1.000 45.070  0 48  GLU BBB CB  1 ? 2  
ATOM   1929 C CG  . GLU B 2 46  ? 48.779 11.922  -43.716 1.000 49.023  0 48  GLU BBB CG  1 ? 2  
ATOM   1930 C CD  . GLU B 2 46  ? 49.586 12.880  -44.573 1.000 52.441  0 48  GLU BBB CD  1 ? 2  
ATOM   1931 O OE1 . GLU B 2 46  ? 49.598 14.083  -44.245 1.000 60.025  0 48  GLU BBB OE1 1 ? 2  
ATOM   1932 O OE2 . GLU B 2 46  ? 50.221 12.419  -45.538 1.000 55.965  0 48  GLU BBB OE2 1 ? 2  
ATOM   1933 N N   . PHE B 2 47  ? 46.820 9.495   -42.376 1.000 31.605  0 49  PHE BBB N   1 ? 3  
ATOM   1934 C CA  . PHE B 2 47  ? 46.468 8.218   -43.049 1.000 29.123  0 49  PHE BBB CA  1 ? 3  
ATOM   1935 C C   . PHE B 2 47  ? 47.265 8.045   -44.348 1.000 29.095  0 49  PHE BBB C   1 ? 3  
ATOM   1936 O O   . PHE B 2 47  ? 47.340 9.002   -45.164 1.000 29.741  0 49  PHE BBB O   1 ? 3  
ATOM   1937 C CB  . PHE B 2 47  ? 44.981 8.174   -43.363 1.000 30.508  0 49  PHE BBB CB  1 ? 3  
ATOM   1938 C CG  . PHE B 2 47  ? 44.564 6.899   -44.041 1.000 28.889  0 49  PHE BBB CG  1 ? 3  
ATOM   1939 C CD1 . PHE B 2 47  ? 44.398 5.735   -43.311 1.000 28.521  0 49  PHE BBB CD1 1 ? 3  
ATOM   1940 C CD2 . PHE B 2 47  ? 44.378 6.861   -45.412 1.000 28.940  0 49  PHE BBB CD2 1 ? 3  
ATOM   1941 C CE1 . PHE B 2 47  ? 44.013 4.561   -43.935 1.000 27.562  0 49  PHE BBB CE1 1 ? 3  
ATOM   1942 C CE2 . PHE B 2 47  ? 43.990 5.692   -46.037 1.000 29.001  0 49  PHE BBB CE2 1 ? 3  
ATOM   1943 C CZ  . PHE B 2 47  ? 43.812 4.540   -45.298 1.000 28.092  0 49  PHE BBB CZ  1 ? 3  
ATOM   1944 N N   . VAL B 2 48  ? 47.822 6.852   -44.562 1.000 27.414  0 50  VAL BBB N   1 ? 3  
ATOM   1945 C CA  . VAL B 2 48  ? 48.567 6.503   -45.809 1.000 28.375  0 50  VAL BBB CA  1 ? 3  
ATOM   1946 C C   . VAL B 2 48  ? 47.775 5.459   -46.612 1.000 27.895  0 50  VAL BBB C   1 ? 3  
ATOM   1947 O O   . VAL B 2 48  ? 47.423 5.738   -47.765 1.000 28.961  0 50  VAL BBB O   1 ? 3  
ATOM   1948 C CB  . VAL B 2 48  ? 49.997 6.041   -45.492 1.000 28.256  0 50  VAL BBB CB  1 ? 3  
ATOM   1949 C CG1 . VAL B 2 48  ? 50.717 5.577   -46.753 1.000 29.795  0 50  VAL BBB CG1 1 ? 3  
ATOM   1950 C CG2 . VAL B 2 48  ? 50.788 7.139   -44.802 1.000 30.132  0 50  VAL BBB CG2 1 ? 3  
ATOM   1951 N N   . ALA B 2 49  ? 47.437 4.323   -46.011 1.000 27.623  0 51  ALA BBB N   1 ? 3  
ATOM   1952 C CA  . ALA B 2 49  ? 46.774 3.193   -46.718 1.000 27.491  0 51  ALA BBB CA  1 ? 3  
ATOM   1953 C C   . ALA B 2 49  ? 46.147 2.225   -45.716 1.000 26.395  0 51  ALA BBB C   1 ? 3  
ATOM   1954 O O   . ALA B 2 49  ? 46.609 2.166   -44.567 1.000 25.369  0 51  ALA BBB O   1 ? 3  
ATOM   1955 C CB  . ALA B 2 49  ? 47.783 2.503   -47.601 1.000 27.421  0 51  ALA BBB CB  1 ? 3  
ATOM   1956 N N   . ALA B 2 50  ? 45.107 1.508   -46.132 1.000 26.011  0 52  ALA BBB N   1 ? 3  
ATOM   1957 C CA  . ALA B 2 50  ? 44.515 0.408   -45.344 1.000 25.188  0 52  ALA BBB CA  1 ? 3  
ATOM   1958 C C   . ALA B 2 50  ? 44.073 -0.714  -46.282 1.000 26.296  0 52  ALA BBB C   1 ? 3  
ATOM   1959 O O   . ALA B 2 50  ? 43.794 -0.448  -47.467 1.000 26.011  0 52  ALA BBB O   1 ? 3  
ATOM   1960 C CB  . ALA B 2 50  ? 43.358 0.901   -44.518 1.000 24.956  0 52  ALA BBB CB  1 ? 3  
ATOM   1961 N N   . ILE B 2 51  ? 43.973 -1.922  -45.733 1.000 25.795  0 53  ILE BBB N   1 ? 3  
ATOM   1962 C CA  . ILE B 2 51  ? 43.571 -3.133  -46.497 1.000 26.760  0 53  ILE BBB CA  1 ? 3  
ATOM   1963 C C   . ILE B 2 51  ? 42.693 -4.015  -45.596 1.000 26.070  0 53  ILE BBB C   1 ? 3  
ATOM   1964 O O   . ILE B 2 51  ? 43.076 -4.298  -44.451 1.000 25.865  0 53  ILE BBB O   1 ? 3  
ATOM   1965 C CB  . ILE B 2 51  ? 44.820 -3.834  -47.061 1.000 28.367  0 53  ILE BBB CB  1 ? 3  
ATOM   1966 C CG1 . ILE B 2 51  ? 44.443 -5.060  -47.899 1.000 29.893  0 53  ILE BBB CG1 1 ? 3  
ATOM   1967 C CG2 . ILE B 2 51  ? 45.813 -4.180  -45.955 1.000 29.118  0 53  ILE BBB CG2 1 ? 3  
ATOM   1968 C CD1 . ILE B 2 51  ? 45.538 -5.520  -48.838 1.000 31.184  0 53  ILE BBB CD1 1 ? 3  
ATOM   1969 N N   . SER B 2 52  ? 41.504 -4.339  -46.094 1.000 26.421  0 54  SER BBB N   1 ? 3  
ATOM   1970 C CA  . SER B 2 52  ? 40.459 -5.146  -45.423 1.000 27.094  0 54  SER BBB CA  1 ? 3  
ATOM   1971 C C   . SER B 2 52  ? 40.937 -6.604  -45.336 1.000 27.208  0 54  SER BBB C   1 ? 3  
ATOM   1972 O O   . SER B 2 52  ? 41.931 -6.962  -45.980 1.000 27.208  0 54  SER BBB O   1 ? 3  
ATOM   1973 C CB  . SER B 2 52  ? 39.162 -5.025  -46.173 1.000 28.831  0 54  SER BBB CB  1 ? 3  
ATOM   1974 O OG  . SER B 2 52  ? 38.065 -5.468  -45.397 1.000 31.679  0 54  SER BBB OG  1 ? 3  
ATOM   1975 N N   . TRP B 2 53  ? 40.242 -7.400  -44.529 1.000 27.491  0 55  TRP BBB N   1 ? 3  
ATOM   1976 C CA  . TRP B 2 53  ? 40.591 -8.798  -44.158 1.000 28.312  0 55  TRP BBB CA  1 ? 3  
ATOM   1977 C C   . TRP B 2 53  ? 41.023 -9.601  -45.386 1.000 30.271  0 55  TRP BBB C   1 ? 3  
ATOM   1978 O O   . TRP B 2 53  ? 42.082 -10.257 -45.337 1.000 31.138  0 55  TRP BBB O   1 ? 3  
ATOM   1979 C CB  . TRP B 2 53  ? 39.376 -9.443  -43.496 1.000 28.523  0 55  TRP BBB CB  1 ? 3  
ATOM   1980 C CG  . TRP B 2 53  ? 38.809 -8.627  -42.384 1.000 26.377  0 55  TRP BBB CG  1 ? 3  
ATOM   1981 C CD1 . TRP B 2 53  ? 39.352 -8.477  -41.147 1.000 26.970  0 55  TRP BBB CD1 1 ? 3  
ATOM   1982 C CD2 . TRP B 2 53  ? 37.608 -7.834  -42.399 1.000 26.701  0 55  TRP BBB CD2 1 ? 3  
ATOM   1983 N NE1 . TRP B 2 53  ? 38.586 -7.632  -40.392 1.000 26.934  0 55  TRP BBB NE1 1 ? 3  
ATOM   1984 C CE2 . TRP B 2 53  ? 37.502 -7.228  -41.125 1.000 26.617  0 55  TRP BBB CE2 1 ? 3  
ATOM   1985 C CE3 . TRP B 2 53  ? 36.620 -7.566  -43.357 1.000 26.501  0 55  TRP BBB CE3 1 ? 3  
ATOM   1986 C CZ2 . TRP B 2 53  ? 36.455 -6.370  -40.786 1.000 26.256  0 55  TRP BBB CZ2 1 ? 3  
ATOM   1987 C CZ3 . TRP B 2 53  ? 35.575 -6.735  -43.018 1.000 26.088  0 55  TRP BBB CZ3 1 ? 3  
ATOM   1988 C CH2 . TRP B 2 53  ? 35.489 -6.155  -41.745 1.000 26.797  0 55  TRP BBB CH2 1 ? 3  
ATOM   1989 N N   . SER B 2 54  ? 40.204 -9.548  -46.437 1.000 30.953  0 56  SER BBB N   1 ? 3  
ATOM   1990 C CA  . SER B 2 54  ? 40.283 -10.417 -47.634 1.000 32.343  0 56  SER BBB CA  1 ? 3  
ATOM   1991 C C   . SER B 2 54  ? 41.317 -9.896  -48.633 1.000 33.240  0 56  SER BBB C   1 ? 3  
ATOM   1992 O O   . SER B 2 54  ? 41.543 -10.607 -49.623 1.000 35.303  0 56  SER BBB O   1 ? 3  
ATOM   1993 C CB  . SER B 2 54  ? 38.937 -10.495 -48.293 1.000 34.372  0 56  SER BBB CB  1 ? 3  
ATOM   1994 O OG  . SER B 2 54  ? 38.668 -9.288  -49.005 1.000 31.510  0 56  SER BBB OG  1 ? 3  
ATOM   1995 N N   . SER B 2 55  ? 41.896 -8.719  -48.382 1.000 31.289  0 57  SER BBB N   1 ? 3  
ATOM   1996 C CA  . SER B 2 55  ? 42.767 -7.925  -49.291 1.000 32.227  0 57  SER BBB CA  1 ? 3  
ATOM   1997 C C   . SER B 2 55  ? 41.966 -6.887  -50.084 1.000 31.648  0 57  SER BBB C   1 ? 3  
ATOM   1998 O O   . SER B 2 55  ? 42.596 -6.079  -50.772 1.000 31.828  0 57  SER BBB O   1 ? 3  
ATOM   1999 C CB  . SER B 2 55  ? 43.591 -8.781  -50.220 1.000 33.960  0 57  SER BBB CB  1 ? 3  
ATOM   2000 O OG  . SER B 2 55  ? 44.739 -9.226  -49.525 1.000 36.326  0 57  SER BBB OG  1 ? 3  
ATOM   2001 N N   . THR B 2 56  ? 40.642 -6.893  -49.991 1.000 32.055  0 58  THR BBB N   1 ? 3  
ATOM   2002 C CA  . THR B 2 56  ? 39.779 -5.911  -50.681 1.000 33.868  0 58  THR BBB CA  1 ? 3  
ATOM   2003 C C   . THR B 2 56  ? 38.679 -5.480  -49.719 1.000 34.353  0 58  THR BBB C   1 ? 3  
ATOM   2004 O O   . THR B 2 56  ? 38.147 -6.317  -48.990 1.000 35.283  0 58  THR BBB O   1 ? 3  
ATOM   2005 C CB  . THR B 2 56  ? 39.201 -6.506  -51.967 1.000 38.163  0 58  THR BBB CB  1 ? 3  
ATOM   2006 O OG1 . THR B 2 56  ? 38.844 -5.405  -52.799 1.000 42.072  0 58  THR BBB OG1 1 ? 3  
ATOM   2007 C CG2 . THR B 2 56  ? 38.000 -7.389  -51.726 1.000 37.578  0 58  THR BBB CG2 1 ? 3  
ATOM   2008 N N   . PRO B 2 57  ? 38.291 -4.181  -49.684 1.000 32.226  0 59  PRO BBB N   1 ? 3  
ATOM   2009 C CA  . PRO B 2 57  ? 38.975 -3.128  -50.435 1.000 32.659  0 59  PRO BBB CA  1 ? 3  
ATOM   2010 C C   . PRO B 2 57  ? 40.349 -2.721  -49.888 1.000 30.741  0 59  PRO BBB C   1 ? 3  
ATOM   2011 O O   . PRO B 2 57  ? 40.728 -3.147  -48.794 1.000 28.281  0 59  PRO BBB O   1 ? 3  
ATOM   2012 C CB  . PRO B 2 57  ? 38.043 -1.905  -50.324 1.000 33.016  0 59  PRO BBB CB  1 ? 3  
ATOM   2013 C CG  . PRO B 2 57  ? 37.186 -2.176  -49.109 1.000 33.190  0 59  PRO BBB CG  1 ? 3  
ATOM   2014 C CD  . PRO B 2 57  ? 37.107 -3.684  -48.968 1.000 32.860  0 59  PRO BBB CD  1 ? 3  
ATOM   2015 N N   . THR B 2 58  ? 41.046 -1.887  -50.671 1.000 30.339  0 60  THR BBB N   1 ? 3  
ATOM   2016 C CA  . THR B 2 58  ? 42.228 -1.095  -50.260 1.000 28.528  0 60  THR BBB CA  1 ? 3  
ATOM   2017 C C   . THR B 2 58  ? 41.839 0.389   -50.294 1.000 29.106  0 60  THR BBB C   1 ? 3  
ATOM   2018 O O   . THR B 2 58  ? 40.915 0.768   -51.046 1.000 30.113  0 60  THR BBB O   1 ? 3  
ATOM   2019 C CB  . THR B 2 58  ? 43.459 -1.358  -51.138 1.000 29.661  0 60  THR BBB CB  1 ? 3  
ATOM   2020 O OG1 . THR B 2 58  ? 43.132 -1.066  -52.499 1.000 30.858  0 60  THR BBB OG1 1 ? 3  
ATOM   2021 C CG2 . THR B 2 58  ? 43.975 -2.774  -51.000 1.000 30.182  0 60  THR BBB CG2 1 ? 3  
ATOM   2022 N N   . TYR B 2 59  ? 42.480 1.174   -49.447 1.000 27.852  0 61  TYR BBB N   1 ? 3  
ATOM   2023 C CA  . TYR B 2 59  ? 42.225 2.623   -49.298 1.000 28.602  0 61  TYR BBB CA  1 ? 3  
ATOM   2024 C C   . TYR B 2 59  ? 43.568 3.328   -49.297 1.000 28.589  0 61  TYR BBB C   1 ? 3  
ATOM   2025 O O   . TYR B 2 59  ? 44.550 2.731   -48.784 1.000 26.841  0 61  TYR BBB O   1 ? 3  
ATOM   2026 C CB  . TYR B 2 59  ? 41.508 2.946   -47.991 1.000 29.078  0 61  TYR BBB CB  1 ? 3  
ATOM   2027 C CG  . TYR B 2 59  ? 40.210 2.229   -47.728 1.000 29.248  0 61  TYR BBB CG  1 ? 3  
ATOM   2028 C CD1 . TYR B 2 59  ? 39.004 2.742   -48.178 1.000 30.567  0 61  TYR BBB CD1 1 ? 3  
ATOM   2029 C CD2 . TYR B 2 59  ? 40.181 1.068   -46.968 1.000 28.622  0 61  TYR BBB CD2 1 ? 3  
ATOM   2030 C CE1 . TYR B 2 59  ? 37.804 2.112   -47.898 1.000 31.211  0 61  TYR BBB CE1 1 ? 3  
ATOM   2031 C CE2 . TYR B 2 59  ? 38.989 0.432   -46.672 1.000 28.011  0 61  TYR BBB CE2 1 ? 3  
ATOM   2032 C CZ  . TYR B 2 59  ? 37.800 0.947   -47.147 1.000 29.292  0 61  TYR BBB CZ  1 ? 3  
ATOM   2033 O OH  . TYR B 2 59  ? 36.625 0.332   -46.843 1.000 30.281  0 61  TYR BBB OH  1 ? 3  
ATOM   2034 N N   . TYR B 2 60  ? 43.595 4.543   -49.849 1.000 29.877  0 62  TYR BBB N   1 ? 3  
ATOM   2035 C CA  . TYR B 2 60  ? 44.812 5.379   -49.975 1.000 30.938  0 62  TYR BBB CA  1 ? 3  
ATOM   2036 C C   . TYR B 2 60  ? 44.492 6.832   -49.624 1.000 31.450  0 62  TYR BBB C   1 ? 3  
ATOM   2037 O O   . TYR B 2 60  ? 43.403 7.339   -49.991 1.000 32.229  0 62  TYR BBB O   1 ? 3  
ATOM   2038 C CB  . TYR B 2 60  ? 45.392 5.255   -51.387 1.000 33.072  0 62  TYR BBB CB  1 ? 3  
ATOM   2039 C CG  . TYR B 2 60  ? 45.846 3.855   -51.720 1.000 32.212  0 62  TYR BBB CG  1 ? 3  
ATOM   2040 C CD1 . TYR B 2 60  ? 47.090 3.398   -51.318 1.000 31.498  0 62  TYR BBB CD1 1 ? 3  
ATOM   2041 C CD2 . TYR B 2 60  ? 45.014 2.965   -52.384 1.000 33.837  0 62  TYR BBB CD2 1 ? 3  
ATOM   2042 C CE1 . TYR B 2 60  ? 47.521 2.110   -51.605 1.000 31.867  0 62  TYR BBB CE1 1 ? 3  
ATOM   2043 C CE2 . TYR B 2 60  ? 45.424 1.669   -52.665 1.000 33.117  0 62  TYR BBB CE2 1 ? 3  
ATOM   2044 C CZ  . TYR B 2 60  ? 46.675 1.238   -52.265 1.000 32.212  0 62  TYR BBB CZ  1 ? 3  
ATOM   2045 O OH  . TYR B 2 60  ? 47.090 -0.034  -52.548 1.000 33.791  0 62  TYR BBB OH  1 ? 3  
ATOM   2046 N N   . GLY B 2 61  ? 45.431 7.461   -48.916 1.000 32.153  0 63  GLY BBB N   1 ? 3  
ATOM   2047 C CA  . GLY B 2 61  ? 45.519 8.923   -48.752 1.000 34.518  0 63  GLY BBB CA  1 ? 3  
ATOM   2048 C C   . GLY B 2 61  ? 45.693 9.575   -50.111 1.000 37.354  0 63  GLY BBB C   1 ? 3  
ATOM   2049 O O   . GLY B 2 61  ? 46.348 8.963   -50.985 1.000 35.370  0 63  GLY BBB O   1 ? 3  
ATOM   2050 N N   . GLU B 2 62  ? 45.091 10.747  -50.310 1.000 42.160  0 64  GLU BBB N   1 ? 3  
ATOM   2051 C CA  . GLU B 2 62  ? 45.051 11.425  -51.630 1.000 46.153  0 64  GLU BBB CA  1 ? 3  
ATOM   2052 C C   . GLU B 2 62  ? 46.478 11.667  -52.123 1.000 45.195  0 64  GLU BBB C   1 ? 3  
ATOM   2053 O O   . GLU B 2 62  ? 46.692 11.596  -53.339 1.000 48.139  0 64  GLU BBB O   1 ? 3  
ATOM   2054 C CB  . GLU B 2 62  ? 44.263 12.734  -51.548 1.000 53.475  0 64  GLU BBB CB  1 ? 3  
ATOM   2055 C CG  . GLU B 2 62  ? 42.760 12.513  -51.534 1.000 58.801  0 64  GLU BBB CG  1 ? 3  
ATOM   2056 C CD  . GLU B 2 62  ? 42.185 11.894  -52.801 1.000 63.308  0 64  GLU BBB CD  1 ? 3  
ATOM   2057 O OE1 . GLU B 2 62  ? 42.684 12.214  -53.901 1.000 69.747  0 64  GLU BBB OE1 1 ? 3  
ATOM   2058 O OE2 . GLU B 2 62  ? 41.243 11.088  -52.685 1.000 67.147  0 64  GLU BBB OE2 1 ? 3  
ATOM   2059 N N   . SER B 2 63  ? 47.418 11.937  -51.218 1.000 43.094  0 65  SER BBB N   1 ? 3  
ATOM   2060 C CA  . SER B 2 63  ? 48.791 12.385  -51.570 1.000 43.698  0 65  SER BBB CA  1 ? 3  
ATOM   2061 C C   . SER B 2 63  ? 49.687 11.208  -51.984 1.000 41.304  0 65  SER BBB C   1 ? 3  
ATOM   2062 O O   . SER B 2 63  ? 50.807 11.486  -52.419 1.000 41.741  0 65  SER BBB O   1 ? 3  
ATOM   2063 C CB  . SER B 2 63  ? 49.400 13.156  -50.437 1.000 44.139  0 65  SER BBB CB  1 ? 3  
ATOM   2064 O OG  . SER B 2 63  ? 49.593 12.313  -49.319 1.000 42.827  0 65  SER BBB OG  1 ? 3  
ATOM   2065 N N   . VAL B 2 64  ? 49.233 9.952   -51.877 1.000 38.598  0 66  VAL BBB N   1 ? 3  
ATOM   2066 C CA  . VAL B 2 64  ? 50.072 8.762   -52.224 1.000 38.028  0 66  VAL BBB CA  1 ? 3  
ATOM   2067 C C   . VAL B 2 64  ? 49.398 7.873   -53.282 1.000 40.410  0 66  VAL BBB C   1 ? 3  
ATOM   2068 O O   . VAL B 2 64  ? 50.051 6.893   -53.709 1.000 41.017  0 66  VAL BBB O   1 ? 3  
ATOM   2069 C CB  . VAL B 2 64  ? 50.420 7.936   -50.971 1.000 34.942  0 66  VAL BBB CB  1 ? 3  
ATOM   2070 C CG1 . VAL B 2 64  ? 51.143 8.782   -49.936 1.000 34.588  0 66  VAL BBB CG1 1 ? 3  
ATOM   2071 C CG2 . VAL B 2 64  ? 49.198 7.260   -50.370 1.000 33.684  0 66  VAL BBB CG2 1 ? 3  
ATOM   2072 N N   . LYS B 2 65  ? 48.154 8.166   -53.676 1.000 44.224  0 67  LYS BBB N   1 ? 3  
ATOM   2073 C CA  . LYS B 2 65  ? 47.423 7.426   -54.743 1.000 46.343  0 67  LYS BBB CA  1 ? 3  
ATOM   2074 C C   . LYS B 2 65  ? 48.309 7.328   -55.989 1.000 47.218  0 67  LYS BBB C   1 ? 3  
ATOM   2075 O O   . LYS B 2 65  ? 48.886 8.361   -56.402 1.000 47.817  0 67  LYS BBB O   1 ? 3  
ATOM   2076 C CB  . LYS B 2 65  ? 46.113 8.123   -55.127 1.000 51.470  0 67  LYS BBB CB  1 ? 3  
ATOM   2077 C CG  . LYS B 2 65  ? 44.937 7.873   -54.200 1.000 52.004  0 67  LYS BBB CG  1 ? 3  
ATOM   2078 C CD  . LYS B 2 65  ? 43.637 8.441   -54.726 1.000 57.099  0 67  LYS BBB CD  1 ? 3  
ATOM   2079 C CE  . LYS B 2 65  ? 42.423 7.935   -53.971 1.000 60.258  0 67  LYS BBB CE  1 ? 3  
ATOM   2080 N NZ  . LYS B 2 65  ? 41.160 8.431   -54.576 1.000 62.442  0 67  LYS BBB NZ  1 ? 3  
ATOM   2081 N N   . GLY B 2 66  ? 48.412 6.122   -56.552 1.000 45.300  0 68  GLY BBB N   1 ? 3  
ATOM   2082 C CA  . GLY B 2 66  ? 49.133 5.854   -57.807 1.000 46.527  0 68  GLY BBB CA  1 ? 3  
ATOM   2083 C C   . GLY B 2 66  ? 50.625 5.704   -57.597 1.000 44.548  0 68  GLY BBB C   1 ? 3  
ATOM   2084 O O   . GLY B 2 66  ? 51.315 5.395   -58.574 1.000 49.289  0 68  GLY BBB O   1 ? 3  
ATOM   2085 N N   . ARG B 2 67  ? 51.119 5.948   -56.385 1.000 40.263  0 69  ARG BBB N   1 ? 3  
ATOM   2086 C CA  . ARG B 2 67  ? 52.563 5.850   -56.059 1.000 38.775  0 69  ARG BBB CA  1 ? 3  
ATOM   2087 C C   . ARG B 2 67  ? 52.799 4.702   -55.071 1.000 36.103  0 69  ARG BBB C   1 ? 3  
ATOM   2088 O O   . ARG B 2 67  ? 53.845 4.063   -55.162 1.000 36.079  0 69  ARG BBB O   1 ? 3  
ATOM   2089 C CB  . ARG B 2 67  ? 53.049 7.173   -55.474 1.000 38.708  0 69  ARG BBB CB  1 ? 3  
ATOM   2090 C CG  . ARG B 2 67  ? 53.184 8.291   -56.496 1.000 41.355  0 69  ARG BBB CG  1 ? 3  
ATOM   2091 C CD  . ARG B 2 67  ? 54.078 9.382   -55.956 1.000 41.683  0 69  ARG BBB CD  1 ? 3  
ATOM   2092 N NE  . ARG B 2 67  ? 53.524 9.911   -54.719 1.000 40.445  0 69  ARG BBB NE  1 ? 3  
ATOM   2093 C CZ  . ARG B 2 67  ? 54.175 10.077  -53.568 1.000 38.963  0 69  ARG BBB CZ  1 ? 3  
ATOM   2094 N NH1 . ARG B 2 67  ? 55.463 9.793   -53.461 1.000 39.367  0 69  ARG BBB NH1 1 ? 3  
ATOM   2095 N NH2 . ARG B 2 67  ? 53.530 10.577  -52.530 1.000 38.233  0 69  ARG BBB NH2 1 ? 3  
ATOM   2096 N N   . PHE B 2 68  ? 51.878 4.494   -54.135 1.000 34.363  0 70  PHE BBB N   1 ? 3  
ATOM   2097 C CA  . PHE B 2 68  ? 52.022 3.521   -53.025 1.000 32.682  0 70  PHE BBB CA  1 ? 3  
ATOM   2098 C C   . PHE B 2 68  ? 51.024 2.383   -53.242 1.000 32.829  0 70  PHE BBB C   1 ? 3  
ATOM   2099 O O   . PHE B 2 68  ? 49.896 2.664   -53.695 1.000 33.111  0 70  PHE BBB O   1 ? 3  
ATOM   2100 C CB  . PHE B 2 68  ? 51.756 4.184   -51.675 1.000 32.249  0 70  PHE BBB CB  1 ? 3  
ATOM   2101 C CG  . PHE B 2 68  ? 52.792 5.152   -51.157 1.000 33.050  0 70  PHE BBB CG  1 ? 3  
ATOM   2102 C CD1 . PHE B 2 68  ? 53.728 5.750   -51.988 1.000 34.400  0 70  PHE BBB CD1 1 ? 3  
ATOM   2103 C CD2 . PHE B 2 68  ? 52.770 5.524   -49.819 1.000 32.838  0 70  PHE BBB CD2 1 ? 3  
ATOM   2104 C CE1 . PHE B 2 68  ? 54.645 6.660   -51.486 1.000 34.908  0 70  PHE BBB CE1 1 ? 3  
ATOM   2105 C CE2 . PHE B 2 68  ? 53.689 6.435   -49.320 1.000 33.529  0 70  PHE BBB CE2 1 ? 3  
ATOM   2106 C CZ  . PHE B 2 68  ? 54.629 6.997   -50.154 1.000 34.100  0 70  PHE BBB CZ  1 ? 3  
ATOM   2107 N N   . THR B 2 69  ? 51.420 1.147   -52.915 1.000 31.246  0 71  THR BBB N   1 ? 3  
ATOM   2108 C CA  . THR B 2 69  ? 50.545 -0.048  -52.984 1.000 30.948  0 71  THR BBB CA  1 ? 3  
ATOM   2109 C C   . THR B 2 69  ? 50.627 -0.810  -51.657 1.000 28.943  0 71  THR BBB C   1 ? 3  
ATOM   2110 O O   . THR B 2 69  ? 51.745 -1.178  -51.262 1.000 29.449  0 71  THR BBB O   1 ? 3  
ATOM   2111 C CB  . THR B 2 69  ? 50.904 -0.940  -54.178 1.000 32.851  0 71  THR BBB CB  1 ? 3  
ATOM   2112 O OG1 . THR B 2 69  ? 50.821 -0.152  -55.357 1.000 34.635  0 71  THR BBB OG1 1 ? 3  
ATOM   2113 C CG2 . THR B 2 69  ? 49.966 -2.115  -54.332 1.000 33.967  0 71  THR BBB CG2 1 ? 3  
ATOM   2114 N N   . ILE B 2 70  ? 49.478 -0.998  -51.004 1.000 28.621  0 72  ILE BBB N   1 ? 4  
ATOM   2115 C CA  . ILE B 2 70  ? 49.304 -1.839  -49.784 1.000 28.510  0 72  ILE BBB CA  1 ? 4  
ATOM   2116 C C   . ILE B 2 70  ? 48.866 -3.235  -50.244 1.000 29.159  0 72  ILE BBB C   1 ? 4  
ATOM   2117 O O   . ILE B 2 70  ? 48.012 -3.352  -51.122 1.000 29.204  0 72  ILE BBB O   1 ? 4  
ATOM   2118 C CB  . ILE B 2 70  ? 48.343 -1.201  -48.742 1.000 27.625  0 72  ILE BBB CB  1 ? 4  
ATOM   2119 C CG1 . ILE B 2 70  ? 48.439 -1.913  -47.388 1.000 27.549  0 72  ILE BBB CG1 1 ? 4  
ATOM   2120 C CG2 . ILE B 2 70  ? 46.901 -1.135  -49.224 1.000 28.076  0 72  ILE BBB CG2 1 ? 4  
ATOM   2121 C CD1 . ILE B 2 70  ? 47.674 -1.247  -46.276 1.000 26.430  0 72  ILE BBB CD1 1 ? 4  
ATOM   2122 N N   . SER B 2 71  ? 49.444 -4.260  -49.642 1.000 29.861  0 73  SER BBB N   1 ? 4  
ATOM   2123 C CA  . SER B 2 71  ? 49.127 -5.678  -49.918 1.000 31.441  0 73  SER BBB CA  1 ? 4  
ATOM   2124 C C   . SER B 2 71  ? 49.307 -6.449  -48.614 1.000 32.474  0 73  SER BBB C   1 ? 4  
ATOM   2125 O O   . SER B 2 71  ? 49.942 -5.915  -47.685 1.000 31.210  0 73  SER BBB O   1 ? 4  
ATOM   2126 C CB  . SER B 2 71  ? 50.002 -6.214  -51.019 1.000 32.272  0 73  SER BBB CB  1 ? 4  
ATOM   2127 O OG  . SER B 2 71  ? 51.354 -6.232  -50.606 1.000 32.387  0 73  SER BBB OG  1 ? 4  
ATOM   2128 N N   . ARG B 2 72  ? 48.750 -7.651  -48.533 1.000 34.171  0 74  ARG BBB N   1 ? 4  
ATOM   2129 C CA  . ARG B 2 72  ? 48.913 -8.494  -47.329 1.000 34.691  0 74  ARG BBB CA  1 ? 4  
ATOM   2130 C C   . ARG B 2 72  ? 49.098 -9.935  -47.784 1.000 36.997  0 74  ARG BBB C   1 ? 4  
ATOM   2131 O O   . ARG B 2 72  ? 48.534 -10.311 -48.825 1.000 37.215  0 74  ARG BBB O   1 ? 4  
ATOM   2132 C CB  . ARG B 2 72  ? 47.714 -8.353  -46.393 1.000 33.459  0 74  ARG BBB CB  1 ? 4  
ATOM   2133 C CG  . ARG B 2 72  ? 46.413 -8.848  -47.004 1.000 33.714  0 74  ARG BBB CG  1 ? 4  
ATOM   2134 C CD  . ARG B 2 72  ? 45.216 -8.472  -46.169 1.000 32.343  0 74  ARG BBB CD  1 ? 4  
ATOM   2135 N NE  . ARG B 2 72  ? 45.242 -9.125  -44.865 1.000 32.449  0 74  ARG BBB NE  1 ? 4  
ATOM   2136 C CZ  . ARG B 2 72  ? 44.621 -8.666  -43.780 1.000 31.419  0 74  ARG BBB CZ  1 ? 4  
ATOM   2137 N NH1 . ARG B 2 72  ? 43.935 -7.533  -43.831 1.000 30.864  0 74  ARG BBB NH1 1 ? 4  
ATOM   2138 N NH2 . ARG B 2 72  ? 44.717 -9.323  -42.635 1.000 31.096  0 74  ARG BBB NH2 1 ? 4  
ATOM   2139 N N   . ASP B 2 73  ? 49.886 -10.671 -47.016 1.000 38.191  0 75  ASP BBB N   1 ? 4  
ATOM   2140 C CA  . ASP B 2 73  ? 50.085 -12.128 -47.150 1.000 41.446  0 75  ASP BBB CA  1 ? 4  
ATOM   2141 C C   . ASP B 2 73  ? 49.515 -12.784 -45.888 1.000 42.262  0 75  ASP BBB C   1 ? 4  
ATOM   2142 O O   . ASP B 2 73  ? 50.208 -12.778 -44.837 1.000 41.258  0 75  ASP BBB O   1 ? 4  
ATOM   2143 C CB  . ASP B 2 73  ? 51.555 -12.446 -47.404 1.000 43.041  0 75  ASP BBB CB  1 ? 4  
ATOM   2144 C CG  . ASP B 2 73  ? 51.740 -13.880 -47.852 1.000 45.551  0 75  ASP BBB CG  1 ? 4  
ATOM   2145 O OD1 . ASP B 2 73  ? 50.865 -14.717 -47.532 1.000 47.095  0 75  ASP BBB OD1 1 ? 4  
ATOM   2146 O OD2 . ASP B 2 73  ? 52.734 -14.141 -48.511 1.000 47.689  0 75  ASP BBB OD2 1 ? 4  
ATOM   2147 N N   . ASN B 2 74  ? 48.293 -13.316 -46.012 1.000 43.448  0 76  ASN BBB N   1 ? 4  
ATOM   2148 C CA  . ASN B 2 74  ? 47.496 -13.859 -44.882 1.000 46.402  0 76  ASN BBB CA  1 ? 4  
ATOM   2149 C C   . ASN B 2 74  ? 48.172 -15.133 -44.365 1.000 49.423  0 76  ASN BBB C   1 ? 4  
ATOM   2150 O O   . ASN B 2 74  ? 47.869 -15.511 -43.226 1.000 52.948  0 76  ASN BBB O   1 ? 4  
ATOM   2151 C CB  . ASN B 2 74  ? 46.018 -14.031 -45.268 1.000 46.258  0 76  ASN BBB CB  1 ? 4  
ATOM   2152 C CG  . ASN B 2 74  ? 45.262 -12.716 -45.284 1.000 45.017  0 76  ASN BBB CG  1 ? 4  
ATOM   2153 O OD1 . ASN B 2 74  ? 45.735 -11.728 -44.737 1.000 42.074  0 76  ASN BBB OD1 1 ? 4  
ATOM   2154 N ND2 . ASN B 2 74  ? 44.071 -12.693 -45.865 1.000 46.059  0 76  ASN BBB ND2 1 ? 4  
ATOM   2155 N N   . ALA B 2 75  ? 49.073 -15.735 -45.151 1.000 50.449  0 77  ALA BBB N   1 ? 4  
ATOM   2156 C CA  . ALA B 2 75  ? 49.874 -16.926 -44.775 1.000 54.792  0 77  ALA BBB CA  1 ? 4  
ATOM   2157 C C   . ALA B 2 75  ? 51.148 -16.518 -44.011 1.000 55.186  0 77  ALA BBB C   1 ? 4  
ATOM   2158 O O   . ALA B 2 75  ? 51.707 -17.393 -43.326 1.000 57.564  0 77  ALA BBB O   1 ? 4  
ATOM   2159 C CB  . ALA B 2 75  ? 50.207 -17.732 -46.011 1.000 56.118  0 77  ALA BBB CB  1 ? 4  
ATOM   2160 N N   . LYS B 2 76  ? 51.599 -15.263 -44.131 1.000 51.903  0 78  LYS BBB N   1 ? 4  
ATOM   2161 C CA  . LYS B 2 76  ? 52.852 -14.739 -43.508 1.000 52.319  0 78  LYS BBB CA  1 ? 4  
ATOM   2162 C C   . LYS B 2 76  ? 52.542 -13.746 -42.380 1.000 49.018  0 78  LYS BBB C   1 ? 4  
ATOM   2163 O O   . LYS B 2 76  ? 53.501 -13.169 -41.822 1.000 49.039  0 78  LYS BBB O   1 ? 4  
ATOM   2164 C CB  . LYS B 2 76  ? 53.700 -13.973 -44.527 1.000 52.884  0 78  LYS BBB CB  1 ? 4  
ATOM   2165 C CG  . LYS B 2 76  ? 53.996 -14.705 -45.825 1.000 56.540  0 78  LYS BBB CG  1 ? 4  
ATOM   2166 C CD  . LYS B 2 76  ? 55.072 -15.737 -45.715 1.000 59.849  0 78  LYS BBB CD  1 ? 4  
ATOM   2167 C CE  . LYS B 2 76  ? 55.335 -16.432 -47.034 1.000 63.063  0 78  LYS BBB CE  1 ? 4  
ATOM   2168 N NZ  . LYS B 2 76  ? 55.723 -17.851 -46.840 1.000 67.226  0 78  LYS BBB NZ  1 ? 4  
ATOM   2169 N N   . ASN B 2 77  ? 51.267 -13.493 -42.102 1.000 45.639  0 79  ASN BBB N   1 ? 4  
ATOM   2170 C CA  . ASN B 2 77  ? 50.843 -12.515 -41.067 1.000 44.940  0 79  ASN BBB CA  1 ? 4  
ATOM   2171 C C   . ASN B 2 77  ? 51.507 -11.149 -41.319 1.000 42.003  0 79  ASN BBB C   1 ? 4  
ATOM   2172 O O   . ASN B 2 77  ? 51.802 -10.428 -40.349 1.000 40.183  0 79  ASN BBB O   1 ? 4  
ATOM   2173 C CB  . ASN B 2 77  ? 51.120 -13.081 -39.679 1.000 46.715  0 79  ASN BBB CB  1 ? 4  
ATOM   2174 C CG  . ASN B 2 77  ? 50.160 -14.209 -39.369 1.000 50.174  0 79  ASN BBB CG  1 ? 4  
ATOM   2175 O OD1 . ASN B 2 77  ? 49.729 -14.927 -40.274 1.000 49.388  0 79  ASN BBB OD1 1 ? 4  
ATOM   2176 N ND2 . ASN B 2 77  ? 49.765 -14.321 -38.112 1.000 52.946  0 79  ASN BBB ND2 1 ? 4  
ATOM   2177 N N   . THR B 2 78  ? 51.702 -10.792 -42.585 1.000 41.440  0 80  THR BBB N   1 ? 4  
ATOM   2178 C CA  . THR B 2 78  ? 52.457 -9.578  -42.997 1.000 39.742  0 80  THR BBB CA  1 ? 4  
ATOM   2179 C C   . THR B 2 78  ? 51.568 -8.680  -43.842 1.000 36.765  0 80  THR BBB C   1 ? 4  
ATOM   2180 O O   . THR B 2 78  ? 50.862 -9.202  -44.739 1.000 36.733  0 80  THR BBB O   1 ? 4  
ATOM   2181 C CB  . THR B 2 78  ? 53.728 -9.973  -43.750 1.000 41.637  0 80  THR BBB CB  1 ? 4  
ATOM   2182 O OG1 . THR B 2 78  ? 54.418 -10.796 -42.818 1.000 42.819  0 80  THR BBB OG1 1 ? 4  
ATOM   2183 C CG2 . THR B 2 78  ? 54.589 -8.802  -44.172 1.000 42.036  0 80  THR BBB CG2 1 ? 4  
ATOM   2184 N N   . VAL B 2 79  ? 51.636 -7.374  -43.574 1.000 35.131  0 81  VAL BBB N   1 ? 4  
ATOM   2185 C CA  . VAL B 2 79  ? 51.109 -6.319  -44.482 1.000 32.351  0 81  VAL BBB CA  1 ? 4  
ATOM   2186 C C   . VAL B 2 79  ? 52.299 -5.551  -45.060 1.000 32.852  0 81  VAL BBB C   1 ? 4  
ATOM   2187 O O   . VAL B 2 79  ? 53.273 -5.319  -44.321 1.000 34.181  0 81  VAL BBB O   1 ? 4  
ATOM   2188 C CB  . VAL B 2 79  ? 50.101 -5.402  -43.767 1.000 30.367  0 81  VAL BBB CB  1 ? 4  
ATOM   2189 C CG1 . VAL B 2 79  ? 50.728 -4.618  -42.623 1.000 29.426  0 81  VAL BBB CG1 1 ? 4  
ATOM   2190 C CG2 . VAL B 2 79  ? 49.425 -4.491  -44.772 1.000 29.162  0 81  VAL BBB CG2 1 ? 4  
ATOM   2191 N N   . TYR B 2 80  ? 52.229 -5.194  -46.346 1.000 33.338  0 82  TYR BBB N   1 ? 4  
ATOM   2192 C CA  . TYR B 2 80  ? 53.315 -4.490  -47.072 1.000 33.485  0 82  TYR BBB CA  1 ? 4  
ATOM   2193 C C   . TYR B 2 80  ? 52.828 -3.116  -47.529 1.000 32.137  0 82  TYR BBB C   1 ? 4  
ATOM   2194 O O   . TYR B 2 80  ? 51.639 -2.960  -47.837 1.000 31.551  0 82  TYR BBB O   1 ? 4  
ATOM   2195 C CB  . TYR B 2 80  ? 53.780 -5.312  -48.272 1.000 36.497  0 82  TYR BBB CB  1 ? 4  
ATOM   2196 C CG  . TYR B 2 80  ? 54.260 -6.701  -47.937 1.000 38.652  0 82  TYR BBB CG  1 ? 4  
ATOM   2197 C CD1 . TYR B 2 80  ? 55.568 -6.926  -47.533 1.000 40.210  0 82  TYR BBB CD1 1 ? 4  
ATOM   2198 C CD2 . TYR B 2 80  ? 53.409 -7.795  -48.028 1.000 40.611  0 82  TYR BBB CD2 1 ? 4  
ATOM   2199 C CE1 . TYR B 2 80  ? 56.026 -8.204  -47.241 1.000 42.370  0 82  TYR BBB CE1 1 ? 4  
ATOM   2200 C CE2 . TYR B 2 80  ? 53.845 -9.075  -47.721 1.000 42.166  0 82  TYR BBB CE2 1 ? 4  
ATOM   2201 C CZ  . TYR B 2 80  ? 55.159 -9.279  -47.333 1.000 43.847  0 82  TYR BBB CZ  1 ? 4  
ATOM   2202 O OH  . TYR B 2 80  ? 55.604 -10.534 -47.039 1.000 47.699  0 82  TYR BBB OH  1 ? 4  
ATOM   2203 N N   . LEU B 2 81  ? 53.745 -2.156  -47.597 1.000 32.193  0 83  LEU BBB N   1 ? 4  
ATOM   2204 C CA  . LEU B 2 81  ? 53.526 -0.880  -48.321 1.000 31.891  0 83  LEU BBB CA  1 ? 4  
ATOM   2205 C C   . LEU B 2 81  ? 54.668 -0.696  -49.318 1.000 33.298  0 83  LEU BBB C   1 ? 4  
ATOM   2206 O O   . LEU B 2 81  ? 55.794 -0.410  -48.876 1.000 35.650  0 83  LEU BBB O   1 ? 4  
ATOM   2207 C CB  . LEU B 2 81  ? 53.451 0.298   -47.345 1.000 30.632  0 83  LEU BBB CB  1 ? 4  
ATOM   2208 C CG  . LEU B 2 81  ? 53.050 1.622   -47.994 1.000 31.182  0 83  LEU BBB CG  1 ? 4  
ATOM   2209 C CD1 . LEU B 2 81  ? 51.603 1.575   -48.466 1.000 29.928  0 83  LEU BBB CD1 1 ? 4  
ATOM   2210 C CD2 . LEU B 2 81  ? 53.270 2.784   -47.036 1.000 31.838  0 83  LEU BBB CD2 1 ? 4  
ATOM   2211 N N   . GLN B 2 82  ? 54.378 -0.916  -50.603 1.000 33.440  0 84  GLN BBB N   1 ? 4  
ATOM   2212 C CA  . GLN B 2 82  ? 55.281 -0.590  -51.730 1.000 34.869  0 84  GLN BBB CA  1 ? 4  
ATOM   2213 C C   . GLN B 2 82  ? 55.192 0.922   -51.954 1.000 35.060  0 84  GLN BBB C   1 ? 4  
ATOM   2214 O O   . GLN B 2 82  ? 54.080 1.392   -52.201 1.000 34.539  0 84  GLN BBB O   1 ? 4  
ATOM   2215 C CB  . GLN B 2 82  ? 54.854 -1.359  -52.980 1.000 36.289  0 84  GLN BBB CB  1 ? 4  
ATOM   2216 C CG  . GLN B 2 82  ? 55.779 -1.160  -54.164 1.000 38.708  0 84  GLN BBB CG  1 ? 4  
ATOM   2217 C CD  . GLN B 2 82  ? 57.186 -1.640  -53.901 1.000 41.436  0 84  GLN BBB CD  1 ? 4  
ATOM   2218 O OE1 . GLN B 2 82  ? 57.425 -2.584  -53.149 1.000 44.155  0 84  GLN BBB OE1 1 ? 4  
ATOM   2219 N NE2 . GLN B 2 82  ? 58.143 -0.999  -54.548 1.000 43.073  0 84  GLN BBB NE2 1 ? 4  
ATOM   2220 N N   . MET B 2 83  ? 56.303 1.641   -51.800 1.000 35.629  0 85  MET BBB N   1 ? 4  
ATOM   2221 C CA  . MET B 2 83  ? 56.379 3.118   -51.950 1.000 37.600  0 85  MET BBB CA  1 ? 4  
ATOM   2222 C C   . MET B 2 83  ? 57.302 3.456   -53.124 1.000 37.844  0 85  MET BBB C   1 ? 4  
ATOM   2223 O O   . MET B 2 83  ? 58.525 3.327   -52.959 1.000 38.829  0 85  MET BBB O   1 ? 4  
ATOM   2224 C CB  . MET B 2 83  ? 56.922 3.760   -50.670 1.000 39.072  0 85  MET BBB CB  1 ? 4  
ATOM   2225 C CG  . MET B 2 83  ? 56.108 3.410   -49.439 1.000 39.900  0 85  MET BBB CG  1 ? 4  
ATOM   2226 S SD  . MET B 2 83  ? 56.697 4.272   -47.953 1.000 44.223  0 85  MET BBB SD  1 ? 4  
ATOM   2227 C CE  . MET B 2 83  ? 58.265 3.459   -47.697 1.000 44.839  0 85  MET BBB CE  1 ? 4  
ATOM   2228 N N   . ASN B 2 84  ? 56.738 3.866   -54.262 1.000 38.805  0 86  ASN BBB N   1 ? 4  
ATOM   2229 C CA  . ASN B 2 84  ? 57.511 4.256   -55.472 1.000 41.194  0 86  ASN BBB CA  1 ? 4  
ATOM   2230 C C   . ASN B 2 84  ? 57.491 5.775   -55.647 1.000 42.323  0 86  ASN BBB C   1 ? 4  
ATOM   2231 O O   . ASN B 2 84  ? 56.632 6.434   -55.030 1.000 42.318  0 86  ASN BBB O   1 ? 4  
ATOM   2232 C CB  . ASN B 2 84  ? 56.966 3.589   -56.733 1.000 42.356  0 86  ASN BBB CB  1 ? 4  
ATOM   2233 C CG  . ASN B 2 84  ? 56.900 2.081   -56.619 1.000 42.505  0 86  ASN BBB CG  1 ? 4  
ATOM   2234 O OD1 . ASN B 2 84  ? 57.805 1.453   -56.075 1.000 42.268  0 86  ASN BBB OD1 1 ? 4  
ATOM   2235 N ND2 . ASN B 2 84  ? 55.839 1.492   -57.146 1.000 42.372  0 86  ASN BBB ND2 1 ? 4  
ATOM   2236 N N   . ARG B 2 85  ? 58.401 6.278   -56.477 1.000 44.766  0 87  ARG BBB N   1 ? 4  
ATOM   2237 C CA  . ARG B 2 85  ? 58.526 7.707   -56.870 1.000 47.407  0 87  ARG BBB CA  1 ? 4  
ATOM   2238 C C   . ARG B 2 85  ? 58.405 8.583   -55.621 1.000 46.358  0 87  ARG BBB C   1 ? 4  
ATOM   2239 O O   . ARG B 2 85  ? 57.541 9.483   -55.594 1.000 47.169  0 87  ARG BBB O   1 ? 4  
ATOM   2240 C CB  . ARG B 2 85  ? 57.482 8.016   -57.945 1.000 49.903  0 87  ARG BBB CB  1 ? 4  
ATOM   2241 C CG  . ARG B 2 85  ? 57.722 7.243   -59.233 1.000 52.430  0 87  ARG BBB CG  1 ? 4  
ATOM   2242 C CD  . ARG B 2 85  ? 56.853 7.709   -60.380 1.000 55.923  0 87  ARG BBB CD  1 ? 4  
ATOM   2243 N NE  . ARG B 2 85  ? 55.436 7.595   -60.063 1.000 56.577  0 87  ARG BBB NE  1 ? 4  
ATOM   2244 C CZ  . ARG B 2 85  ? 54.755 6.450   -59.983 1.000 58.099  0 87  ARG BBB CZ  1 ? 4  
ATOM   2245 N NH1 . ARG B 2 85  ? 55.348 5.283   -60.195 1.000 57.722  0 87  ARG BBB NH1 1 ? 4  
ATOM   2246 N NH2 . ARG B 2 85  ? 53.468 6.478   -59.680 1.000 59.450  0 87  ARG BBB NH2 1 ? 4  
ATOM   2247 N N   . LEU B 2 86  ? 59.252 8.318   -54.627 1.000 44.650  0 88  LEU BBB N   1 ? 4  
ATOM   2248 C CA  . LEU B 2 86  ? 59.231 9.001   -53.309 1.000 44.419  0 88  LEU BBB CA  1 ? 4  
ATOM   2249 C C   . LEU B 2 86  ? 59.719 10.450  -53.471 1.000 46.723  0 88  LEU BBB C   1 ? 4  
ATOM   2250 O O   . LEU B 2 86  ? 60.636 10.691  -54.285 1.000 47.201  0 88  LEU BBB O   1 ? 4  
ATOM   2251 C CB  . LEU B 2 86  ? 60.079 8.190   -52.320 1.000 43.671  0 88  LEU BBB CB  1 ? 4  
ATOM   2252 C CG  . LEU B 2 86  ? 59.393 6.942   -51.750 1.000 41.165  0 88  LEU BBB CG  1 ? 4  
ATOM   2253 C CD1 . LEU B 2 86  ? 60.409 5.958   -51.197 1.000 40.448  0 88  LEU BBB CD1 1 ? 4  
ATOM   2254 C CD2 . LEU B 2 86  ? 58.390 7.320   -50.665 1.000 40.317  0 88  LEU BBB CD2 1 ? 4  
ATOM   2255 N N   . LYS B 2 87  ? 59.081 11.380  -52.750 1.000 48.270  0 89  LYS BBB N   1 ? 4  
ATOM   2256 C CA  . LYS B 2 87  ? 59.459 12.814  -52.687 1.000 51.591  0 89  LYS BBB CA  1 ? 4  
ATOM   2257 C C   . LYS B 2 87  ? 59.937 13.127  -51.275 1.000 50.521  0 89  LYS BBB C   1 ? 4  
ATOM   2258 O O   . LYS B 2 87  ? 59.611 12.416  -50.329 1.000 47.151  0 89  LYS BBB O   1 ? 4  
ATOM   2259 C CB  . LYS B 2 87  ? 58.294 13.774  -52.953 1.000 54.289  0 89  LYS BBB CB  1 ? 4  
ATOM   2260 C CG  . LYS B 2 87  ? 57.025 13.222  -53.581 1.000 55.069  0 89  LYS BBB CG  1 ? 4  
ATOM   2261 C CD  . LYS B 2 87  ? 55.822 14.089  -53.217 1.000 57.456  0 89  LYS BBB CD  1 ? 4  
ATOM   2262 C CE  . LYS B 2 87  ? 54.528 13.702  -53.900 1.000 57.275  0 89  LYS BBB CE  1 ? 4  
ATOM   2263 N NZ  . LYS B 2 87  ? 54.698 13.600  -55.370 1.000 59.065  0 89  LYS BBB NZ  1 ? 4  
ATOM   2264 N N   . PRO B 2 88  ? 60.682 14.238  -51.094 1.000 52.659  0 90  PRO BBB N   1 ? 4  
ATOM   2265 C CA  . PRO B 2 88  ? 60.992 14.760  -49.762 1.000 52.951  0 90  PRO BBB CA  1 ? 4  
ATOM   2266 C C   . PRO B 2 88  ? 59.777 14.869  -48.830 1.000 51.033  0 90  PRO BBB C   1 ? 4  
ATOM   2267 O O   . PRO B 2 88  ? 59.905 14.557  -47.666 1.000 49.373  0 90  PRO BBB O   1 ? 4  
ATOM   2268 C CB  . PRO B 2 88  ? 61.566 16.149  -50.088 1.000 56.129  0 90  PRO BBB CB  1 ? 4  
ATOM   2269 C CG  . PRO B 2 88  ? 62.237 15.954  -51.425 1.000 57.069  0 90  PRO BBB CG  1 ? 4  
ATOM   2270 C CD  . PRO B 2 88  ? 61.328 15.007  -52.171 1.000 54.805  0 90  PRO BBB CD  1 ? 4  
ATOM   2271 N N   . GLU B 2 89  ? 58.619 15.252  -49.371 1.000 52.058  0 91  GLU BBB N   1 ? 4  
ATOM   2272 C CA  . GLU B 2 89  ? 57.358 15.426  -48.598 1.000 52.451  0 91  GLU BBB CA  1 ? 4  
ATOM   2273 C C   . GLU B 2 89  ? 56.904 14.087  -47.994 1.000 47.891  0 91  GLU BBB C   1 ? 4  
ATOM   2274 O O   . GLU B 2 89  ? 56.055 14.129  -47.102 1.000 47.524  0 91  GLU BBB O   1 ? 4  
ATOM   2275 C CB  . GLU B 2 89  ? 56.237 16.005  -49.468 1.000 55.413  0 91  GLU BBB CB  1 ? 4  
ATOM   2276 C CG  . GLU B 2 89  ? 56.473 17.442  -49.903 1.000 60.566  0 91  GLU BBB CG  1 ? 4  
ATOM   2277 C CD  . GLU B 2 89  ? 57.374 17.625  -51.114 1.000 65.214  0 91  GLU BBB CD  1 ? 4  
ATOM   2278 O OE1 . GLU B 2 89  ? 57.434 16.701  -51.952 1.000 64.389  0 91  GLU BBB OE1 1 ? 4  
ATOM   2279 O OE2 . GLU B 2 89  ? 58.023 18.700  -51.218 1.000 72.040  0 91  GLU BBB OE2 1 ? 4  
ATOM   2280 N N   . ASP B 2 90  ? 57.446 12.949  -48.439 1.000 46.147  0 92  ASP BBB N   1 ? 4  
ATOM   2281 C CA  . ASP B 2 90  ? 57.095 11.604  -47.898 1.000 42.944  0 92  ASP BBB CA  1 ? 4  
ATOM   2282 C C   . ASP B 2 90  ? 57.929 11.282  -46.645 1.000 42.305  0 92  ASP BBB C   1 ? 4  
ATOM   2283 O O   . ASP B 2 90  ? 57.604 10.298  -45.964 1.000 40.469  0 92  ASP BBB O   1 ? 4  
ATOM   2284 C CB  . ASP B 2 90  ? 57.253 10.524  -48.972 1.000 42.259  0 92  ASP BBB CB  1 ? 4  
ATOM   2285 C CG  . ASP B 2 90  ? 56.263 10.675  -50.114 1.000 42.726  0 92  ASP BBB CG  1 ? 4  
ATOM   2286 O OD1 . ASP B 2 90  ? 55.054 10.904  -49.836 1.000 41.569  0 92  ASP BBB OD1 1 ? 4  
ATOM   2287 O OD2 . ASP B 2 90  ? 56.705 10.569  -51.271 1.000 43.601  0 92  ASP BBB OD2 1 ? 4  
ATOM   2288 N N   . THR B 2 91  ? 58.958 12.073  -46.332 1.000 44.388  0 93  THR BBB N   1 ? 4  
ATOM   2289 C CA  . THR B 2 91  ? 59.788 11.909  -45.105 1.000 45.004  0 93  THR BBB CA  1 ? 4  
ATOM   2290 C C   . THR B 2 91  ? 58.875 11.959  -43.874 1.000 44.528  0 93  THR BBB C   1 ? 4  
ATOM   2291 O O   . THR B 2 91  ? 58.094 12.924  -43.767 1.000 45.192  0 93  THR BBB O   1 ? 4  
ATOM   2292 C CB  . THR B 2 91  ? 60.881 12.982  -45.021 1.000 47.444  0 93  THR BBB CB  1 ? 4  
ATOM   2293 O OG1 . THR B 2 91  ? 61.711 12.821  -46.170 1.000 47.315  0 93  THR BBB OG1 1 ? 4  
ATOM   2294 C CG2 . THR B 2 91  ? 61.705 12.901  -43.752 1.000 48.439  0 93  THR BBB CG2 1 ? 4  
ATOM   2295 N N   . ALA B 2 92  ? 58.943 10.948  -43.004 1.000 43.864  0 94  ALA BBB N   1 ? 4  
ATOM   2296 C CA  . ALA B 2 92  ? 58.092 10.820  -41.796 1.000 42.875  0 94  ALA BBB CA  1 ? 4  
ATOM   2297 C C   . ALA B 2 92  ? 58.362 9.486   -41.095 1.000 42.807  0 94  ALA BBB C   1 ? 4  
ATOM   2298 O O   . ALA B 2 92  ? 59.010 8.589   -41.688 1.000 42.376  0 94  ALA BBB O   1 ? 4  
ATOM   2299 C CB  . ALA B 2 92  ? 56.625 10.943  -42.154 1.000 40.747  0 94  ALA BBB CB  1 ? 4  
ATOM   2300 N N   . VAL B 2 93  ? 57.879 9.380   -39.860 1.000 42.419  0 95  VAL BBB N   1 ? 4  
ATOM   2301 C CA  . VAL B 2 93  ? 57.750 8.100   -39.109 1.000 42.163  0 95  VAL BBB CA  1 ? 4  
ATOM   2302 C C   . VAL B 2 93  ? 56.515 7.377   -39.656 1.000 38.637  0 95  VAL BBB C   1 ? 4  
ATOM   2303 O O   . VAL B 2 93  ? 55.414 7.977   -39.633 1.000 37.219  0 95  VAL BBB O   1 ? 4  
ATOM   2304 C CB  . VAL B 2 93  ? 57.644 8.359   -37.594 1.000 43.830  0 95  VAL BBB CB  1 ? 4  
ATOM   2305 C CG1 . VAL B 2 93  ? 57.378 7.075   -36.819 1.000 43.701  0 95  VAL BBB CG1 1 ? 4  
ATOM   2306 C CG2 . VAL B 2 93  ? 58.878 9.076   -37.063 1.000 47.371  0 95  VAL BBB CG2 1 ? 4  
ATOM   2307 N N   . TYR B 2 94  ? 56.690 6.154   -40.162 1.000 37.157  0 96  TYR BBB N   1 ? 4  
ATOM   2308 C CA  . TYR B 2 94  ? 55.586 5.335   -40.727 1.000 34.921  0 96  TYR BBB CA  1 ? 4  
ATOM   2309 C C   . TYR B 2 94  ? 55.172 4.308   -39.685 1.000 34.804  0 96  TYR BBB C   1 ? 4  
ATOM   2310 O O   . TYR B 2 94  ? 56.033 3.548   -39.217 1.000 36.849  0 96  TYR BBB O   1 ? 4  
ATOM   2311 C CB  . TYR B 2 94  ? 55.976 4.693   -42.058 1.000 34.263  0 96  TYR BBB CB  1 ? 4  
ATOM   2312 C CG  . TYR B 2 94  ? 55.942 5.660   -43.211 1.000 34.012  0 96  TYR BBB CG  1 ? 4  
ATOM   2313 C CD1 . TYR B 2 94  ? 56.862 6.692   -43.298 1.000 35.442  0 96  TYR BBB CD1 1 ? 4  
ATOM   2314 C CD2 . TYR B 2 94  ? 54.986 5.558   -44.205 1.000 32.778  0 96  TYR BBB CD2 1 ? 4  
ATOM   2315 C CE1 . TYR B 2 94  ? 56.845 7.590   -44.353 1.000 35.552  0 96  TYR BBB CE1 1 ? 4  
ATOM   2316 C CE2 . TYR B 2 94  ? 54.938 6.466   -45.253 1.000 33.670  0 96  TYR BBB CE2 1 ? 4  
ATOM   2317 C CZ  . TYR B 2 94  ? 55.873 7.482   -45.331 1.000 34.514  0 96  TYR BBB CZ  1 ? 4  
ATOM   2318 O OH  . TYR B 2 94  ? 55.846 8.355   -46.379 1.000 35.790  0 96  TYR BBB OH  1 ? 4  
ATOM   2319 N N   . PHE B 2 95  ? 53.883 4.307   -39.362 1.000 33.923  0 97  PHE BBB N   1 ? 4  
ATOM   2320 C CA  . PHE B 2 95  ? 53.270 3.425   -38.343 1.000 33.853  0 97  PHE BBB CA  1 ? 4  
ATOM   2321 C C   . PHE B 2 95  ? 52.352 2.416   -39.027 1.000 32.698  0 97  PHE BBB C   1 ? 4  
ATOM   2322 O O   . PHE B 2 95  ? 51.460 2.809   -39.824 1.000 31.721  0 97  PHE BBB O   1 ? 4  
ATOM   2323 C CB  . PHE B 2 95  ? 52.423 4.205   -37.347 1.000 33.937  0 97  PHE BBB CB  1 ? 4  
ATOM   2324 C CG  . PHE B 2 95  ? 53.187 5.167   -36.475 1.000 36.622  0 97  PHE BBB CG  1 ? 4  
ATOM   2325 C CD1 . PHE B 2 95  ? 53.773 4.738   -35.293 1.000 39.026  0 97  PHE BBB CD1 1 ? 4  
ATOM   2326 C CD2 . PHE B 2 95  ? 53.296 6.505   -36.824 1.000 37.890  0 97  PHE BBB CD2 1 ? 4  
ATOM   2327 C CE1 . PHE B 2 95  ? 54.458 5.631   -34.478 1.000 41.717  0 97  PHE BBB CE1 1 ? 4  
ATOM   2328 C CE2 . PHE B 2 95  ? 53.979 7.395   -36.007 1.000 40.136  0 97  PHE BBB CE2 1 ? 4  
ATOM   2329 C CZ  . PHE B 2 95  ? 54.568 6.956   -34.840 1.000 41.737  0 97  PHE BBB CZ  1 ? 4  
ATOM   2330 N N   . CYS B 2 96  ? 52.567 1.162   -38.668 1.000 31.699  0 98  CYS BBB N   1 ? 4  
ATOM   2331 C CA  . CYS B 2 96  ? 51.622 0.042   -38.841 1.000 32.053  0 98  CYS BBB CA  1 ? 4  
ATOM   2332 C C   . CYS B 2 96  ? 50.524 0.142   -37.781 1.000 31.198  0 98  CYS BBB C   1 ? 4  
ATOM   2333 O O   . CYS B 2 96  ? 50.848 0.446   -36.605 1.000 31.125  0 98  CYS BBB O   1 ? 4  
ATOM   2334 C CB  . CYS B 2 96  ? 52.365 -1.275  -38.672 1.000 33.390  0 98  CYS BBB CB  1 ? 4  
ATOM   2335 S SG  . CYS B 2 96  ? 51.327 -2.703  -39.047 1.000 37.769  0 98  CYS BBB SG  1 ? 4  
ATOM   2336 N N   . ALA B 2 97  ? 49.272 -0.067  -38.187 1.000 29.854  0 99  ALA BBB N   1 ? 4  
ATOM   2337 C CA  . ALA B 2 97  ? 48.108 -0.118  -37.278 1.000 28.777  0 99  ALA BBB CA  1 ? 4  
ATOM   2338 C C   . ALA B 2 97  ? 47.214 -1.297  -37.670 1.000 28.120  0 99  ALA BBB C   1 ? 4  
ATOM   2339 O O   . ALA B 2 97  ? 47.274 -1.753  -38.832 1.000 27.853  0 99  ALA BBB O   1 ? 4  
ATOM   2340 C CB  . ALA B 2 97  ? 47.363 1.189   -37.297 1.000 29.036  0 99  ALA BBB CB  1 ? 4  
ATOM   2341 N N   . ALA B 2 98  ? 46.442 -1.802  -36.712 1.000 27.811  0 100 ALA BBB N   1 ? 4  
ATOM   2342 C CA  . ALA B 2 98  ? 45.538 -2.959  -36.904 1.000 27.126  0 100 ALA BBB CA  1 ? 4  
ATOM   2343 C C   . ALA B 2 98  ? 44.287 -2.767  -36.059 1.000 26.308  0 100 ALA BBB C   1 ? 4  
ATOM   2344 O O   . ALA B 2 98  ? 44.353 -2.137  -34.989 1.000 27.944  0 100 ALA BBB O   1 ? 4  
ATOM   2345 C CB  . ALA B 2 98  ? 46.242 -4.252  -36.558 1.000 27.722  0 100 ALA BBB CB  1 ? 4  
ATOM   2346 N N   . ASP B 2 99  ? 43.176 -3.294  -36.549 1.000 27.119  0 101 ASP BBB N   1 ? 4  
ATOM   2347 C CA  . ASP B 2 99  ? 41.892 -3.323  -35.822 1.000 26.318  0 101 ASP BBB CA  1 ? 4  
ATOM   2348 C C   . ASP B 2 99  ? 41.076 -4.513  -36.312 1.000 27.180  0 101 ASP BBB C   1 ? 4  
ATOM   2349 O O   . ASP B 2 99  ? 41.201 -4.850  -37.502 1.000 26.547  0 101 ASP BBB O   1 ? 4  
ATOM   2350 C CB  . ASP B 2 99  ? 41.126 -2.019  -36.028 1.000 25.001  0 101 ASP BBB CB  1 ? 4  
ATOM   2351 C CG  . ASP B 2 99  ? 40.153 -1.793  -34.897 1.000 25.248  0 101 ASP BBB CG  1 ? 4  
ATOM   2352 O OD1 . ASP B 2 99  ? 40.635 -1.437  -33.791 1.000 25.812  0 101 ASP BBB OD1 1 ? 4  
ATOM   2353 O OD2 . ASP B 2 99  ? 38.942 -2.022  -35.115 1.000 24.483  0 101 ASP BBB OD2 1 ? 4  
ATOM   2354 N N   . ARG B 2 100 ? 40.235 -5.087  -35.450 1.000 27.825  0 102 ARG BBB N   1 ? 4  
ATOM   2355 C CA  . ARG B 2 100 ? 39.295 -6.153  -35.881 1.000 30.201  0 102 ARG BBB CA  1 ? 4  
ATOM   2356 C C   . ARG B 2 100 ? 38.232 -5.570  -36.820 1.000 26.832  0 102 ARG BBB C   1 ? 4  
ATOM   2357 O O   . ARG B 2 100 ? 37.695 -6.325  -37.647 1.000 24.676  0 102 ARG BBB O   1 ? 4  
ATOM   2358 C CB  . ARG B 2 100 ? 38.689 -6.883  -34.679 1.000 32.714  0 102 ARG BBB CB  1 ? 4  
ATOM   2359 C CG  . ARG B 2 100 ? 39.466 -8.148  -34.353 1.000 38.964  0 102 ARG BBB CG  1 ? 4  
ATOM   2360 C CD  . ARG B 2 100 ? 38.755 -9.444  -34.709 1.000 39.881  0 102 ARG BBB CD  1 ? 4  
ATOM   2361 N NE  . ARG B 2 100 ? 38.538 -10.074 -33.426 1.000 47.597  0 102 ARG BBB NE  1 ? 4  
ATOM   2362 C CZ  . ARG B 2 100 ? 37.551 -10.890 -33.110 1.000 48.097  0 102 ARG BBB CZ  1 ? 4  
ATOM   2363 N NH1 . ARG B 2 100 ? 37.485 -11.348 -31.875 1.000 53.775  0 102 ARG BBB NH1 1 ? 4  
ATOM   2364 N NH2 . ARG B 2 100 ? 36.622 -11.217 -33.994 1.000 50.636  0 102 ARG BBB NH2 1 ? 4  
ATOM   2365 N N   . GLY B 2 101 ? 37.942 -4.273  -36.701 1.000 25.120  0 103 GLY BBB N   1 ? 4  
ATOM   2366 C CA  . GLY B 2 101 ? 36.870 -3.643  -37.482 1.000 24.017  0 103 GLY BBB CA  1 ? 4  
ATOM   2367 C C   . GLY B 2 101 ? 37.423 -2.878  -38.668 1.000 22.890  0 103 GLY BBB C   1 ? 4  
ATOM   2368 O O   . GLY B 2 101 ? 38.555 -2.362  -38.575 1.000 23.156  0 103 GLY BBB O   1 ? 4  
ATOM   2369 N N   . GLU B 2 102 ? 36.628 -2.799  -39.732 1.000 23.504  0 104 GLU BBB N   1 ? 4  
ATOM   2370 C CA  . GLU B 2 102 ? 36.835 -1.890  -40.887 1.000 23.044  0 104 GLU BBB CA  1 ? 4  
ATOM   2371 C C   . GLU B 2 102 ? 35.955 -0.666  -40.670 1.000 22.479  0 104 GLU BBB C   1 ? 4  
ATOM   2372 O O   . GLU B 2 102 ? 34.718 -0.834  -40.603 1.000 22.051  0 104 GLU BBB O   1 ? 4  
ATOM   2373 C CB  . GLU B 2 102 ? 36.472 -2.600  -42.188 1.000 24.099  0 104 GLU BBB CB  1 ? 4  
ATOM   2374 C CG  . GLU B 2 102 ? 36.929 -1.848  -43.425 1.000 24.769  0 104 GLU BBB CG  1 ? 4  
ATOM   2375 C CD  . GLU B 2 102 ? 36.604 -2.593  -44.711 1.000 26.486  0 104 GLU BBB CD  1 ? 4  
ATOM   2376 O OE1 . GLU B 2 102 ? 36.427 -3.833  -44.643 1.000 28.733  0 104 GLU BBB OE1 1 ? 4  
ATOM   2377 O OE2 . GLU B 2 102 ? 36.509 -1.948  -45.772 1.000 27.233  0 104 GLU BBB OE2 1 ? 4  
ATOM   2378 N N   . SER B 2 103 ? 36.573 0.520   -40.583 1.000 23.180  0 105 SER BBB N   1 ? 4  
ATOM   2379 C CA  . SER B 2 103 ? 35.869 1.795   -40.302 1.000 22.358  0 105 SER BBB CA  1 ? 4  
ATOM   2380 C C   . SER B 2 103 ? 35.395 2.451   -41.600 1.000 23.021  0 105 SER BBB C   1 ? 4  
ATOM   2381 O O   . SER B 2 103 ? 36.144 2.446   -42.584 1.000 22.254  0 105 SER BBB O   1 ? 4  
ATOM   2382 C CB  . SER B 2 103 ? 36.732 2.739   -39.524 1.000 22.810  0 105 SER BBB CB  1 ? 4  
ATOM   2383 O OG  . SER B 2 103 ? 36.012 3.937   -39.243 1.000 22.008  0 105 SER BBB OG  1 ? 4  
ATOM   2384 N N   . TYR B 2 104 ? 34.190 3.024   -41.566 1.000 22.627  0 106 TYR BBB N   1 ? 4  
ATOM   2385 C CA  . TYR B 2 104 ? 33.708 4.008   -42.559 1.000 23.402  0 106 TYR BBB CA  1 ? 4  
ATOM   2386 C C   . TYR B 2 104 ? 34.652 5.218   -42.569 1.000 22.849  0 106 TYR BBB C   1 ? 4  
ATOM   2387 O O   . TYR B 2 104 ? 34.880 5.804   -43.640 1.000 22.809  0 106 TYR BBB O   1 ? 4  
ATOM   2388 C CB  . TYR B 2 104 ? 32.270 4.428   -42.260 1.000 23.565  0 106 TYR BBB CB  1 ? 4  
ATOM   2389 C CG  . TYR B 2 104 ? 31.744 5.383   -43.299 1.000 24.423  0 106 TYR BBB CG  1 ? 4  
ATOM   2390 C CD1 . TYR B 2 104 ? 31.480 4.952   -44.587 1.000 24.933  0 106 TYR BBB CD1 1 ? 4  
ATOM   2391 C CD2 . TYR B 2 104 ? 31.584 6.734   -43.012 1.000 25.763  0 106 TYR BBB CD2 1 ? 4  
ATOM   2392 C CE1 . TYR B 2 104 ? 31.036 5.828   -45.570 1.000 26.855  0 106 TYR BBB CE1 1 ? 4  
ATOM   2393 C CE2 . TYR B 2 104 ? 31.158 7.619   -43.983 1.000 25.532  0 106 TYR BBB CE2 1 ? 4  
ATOM   2394 C CZ  . TYR B 2 104 ? 30.883 7.170   -45.260 1.000 27.005  0 106 TYR BBB CZ  1 ? 4  
ATOM   2395 O OH  . TYR B 2 104 ? 30.439 8.041   -46.214 1.000 29.832  0 106 TYR BBB OH  1 ? 4  
ATOM   2396 N N   . TYR B 2 105 ? 35.164 5.580   -41.392 1.000 22.109  0 107 TYR BBB N   1 ? 4  
ATOM   2397 C CA  . TYR B 2 105 ? 36.137 6.684   -41.160 1.000 22.831  0 107 TYR BBB CA  1 ? 4  
ATOM   2398 C C   . TYR B 2 105 ? 37.543 6.086   -41.035 1.000 22.457  0 107 TYR BBB C   1 ? 4  
ATOM   2399 O O   . TYR B 2 105 ? 38.215 6.270   -40.004 1.000 22.246  0 107 TYR BBB O   1 ? 4  
ATOM   2400 C CB  . TYR B 2 105 ? 35.726 7.489   -39.924 1.000 22.149  0 107 TYR BBB CB  1 ? 4  
ATOM   2401 C CG  . TYR B 2 105 ? 34.305 7.975   -39.943 1.000 21.999  0 107 TYR BBB CG  1 ? 4  
ATOM   2402 C CD1 . TYR B 2 105 ? 33.915 9.041   -40.743 1.000 23.463  0 107 TYR BBB CD1 1 ? 4  
ATOM   2403 C CD2 . TYR B 2 105 ? 33.345 7.397   -39.130 1.000 21.398  0 107 TYR BBB CD2 1 ? 4  
ATOM   2404 C CE1 . TYR B 2 105 ? 32.605 9.490   -40.766 1.000 23.408  0 107 TYR BBB CE1 1 ? 4  
ATOM   2405 C CE2 . TYR B 2 105 ? 32.038 7.848   -39.125 1.000 22.184  0 107 TYR BBB CE2 1 ? 4  
ATOM   2406 C CZ  . TYR B 2 105 ? 31.657 8.895   -39.951 1.000 23.008  0 107 TYR BBB CZ  1 ? 4  
ATOM   2407 O OH  . TYR B 2 105 ? 30.354 9.328   -39.953 1.000 24.524  0 107 TYR BBB OH  1 ? 4  
ATOM   2408 N N   . TYR B 2 106 ? 37.965 5.355   -42.075 1.000 23.456  0 108 TYR BBB N   1 ? 4  
ATOM   2409 C CA  . TYR B 2 106 ? 39.231 4.578   -42.112 1.000 23.236  0 108 TYR BBB CA  1 ? 4  
ATOM   2410 C C   . TYR B 2 106 ? 40.454 5.488   -41.992 1.000 23.978  0 108 TYR BBB C   1 ? 4  
ATOM   2411 O O   . TYR B 2 106 ? 41.519 4.980   -41.645 1.000 22.775  0 108 TYR BBB O   1 ? 4  
ATOM   2412 C CB  . TYR B 2 106 ? 39.299 3.700   -43.365 1.000 24.677  0 108 TYR BBB CB  1 ? 4  
ATOM   2413 C CG  . TYR B 2 106 ? 39.189 4.461   -44.654 1.000 25.502  0 108 TYR BBB CG  1 ? 4  
ATOM   2414 C CD1 . TYR B 2 106 ? 40.291 5.106   -45.199 1.000 26.631  0 108 TYR BBB CD1 1 ? 4  
ATOM   2415 C CD2 . TYR B 2 106 ? 37.968 4.586   -45.291 1.000 26.427  0 108 TYR BBB CD2 1 ? 4  
ATOM   2416 C CE1 . TYR B 2 106 ? 40.183 5.844   -46.361 1.000 28.092  0 108 TYR BBB CE1 1 ? 4  
ATOM   2417 C CE2 . TYR B 2 106 ? 37.846 5.304   -46.465 1.000 28.707  0 108 TYR BBB CE2 1 ? 4  
ATOM   2418 C CZ  . TYR B 2 106 ? 38.960 5.929   -46.999 1.000 29.221  0 108 TYR BBB CZ  1 ? 4  
ATOM   2419 O OH  . TYR B 2 106 ? 38.852 6.617   -48.162 1.000 31.245  0 108 TYR BBB OH  1 ? 4  
ATOM   2420 N N   . THR B 2 107 ? 40.331 6.804   -42.212 1.000 23.563  0 109 THR BBB N   1 ? 4  
ATOM   2421 C CA  . THR B 2 107 ? 41.497 7.701   -42.096 1.000 24.524  0 109 THR BBB CA  1 ? 4  
ATOM   2422 C C   . THR B 2 107 ? 41.746 8.079   -40.635 1.000 25.812  0 109 THR BBB C   1 ? 4  
ATOM   2423 O O   . THR B 2 107 ? 42.779 8.739   -40.416 1.000 28.203  0 109 THR BBB O   1 ? 4  
ATOM   2424 C CB  . THR B 2 107 ? 41.349 8.963   -42.952 1.000 25.087  0 109 THR BBB CB  1 ? 4  
ATOM   2425 O OG1 . THR B 2 107 ? 40.283 9.714   -42.384 1.000 25.513  0 109 THR BBB OG1 1 ? 4  
ATOM   2426 C CG2 . THR B 2 107 ? 41.054 8.656   -44.401 1.000 25.074  0 109 THR BBB CG2 1 ? 4  
ATOM   2427 N N   . ARG B 2 108 ? 40.854 7.718   -39.699 1.000 24.548  0 110 ARG BBB N   1 ? 4  
ATOM   2428 C CA  . ARG B 2 108 ? 40.927 8.160   -38.274 1.000 25.890  0 110 ARG BBB CA  1 ? 4  
ATOM   2429 C C   . ARG B 2 108 ? 41.861 7.241   -37.485 1.000 25.594  0 110 ARG BBB C   1 ? 4  
ATOM   2430 O O   . ARG B 2 108 ? 41.591 6.046   -37.364 1.000 25.339  0 110 ARG BBB O   1 ? 4  
ATOM   2431 C CB  . ARG B 2 108 ? 39.557 8.146   -37.589 1.000 24.900  0 110 ARG BBB CB  1 ? 4  
ATOM   2432 C CG  . ARG B 2 108 ? 38.575 9.195   -38.082 1.000 26.007  0 110 ARG BBB CG  1 ? 4  
ATOM   2433 C CD  . ARG B 2 108 ? 37.308 9.081   -37.279 1.000 25.095  0 110 ARG BBB CD  1 ? 4  
ATOM   2434 N NE  . ARG B 2 108 ? 36.281 10.020  -37.679 1.000 26.201  0 110 ARG BBB NE  1 ? 4  
ATOM   2435 C CZ  . ARG B 2 108 ? 35.042 10.009  -37.217 1.000 25.654  0 110 ARG BBB CZ  1 ? 4  
ATOM   2436 N NH1 . ARG B 2 108 ? 34.672 9.111   -36.322 1.000 24.681  0 110 ARG BBB NH1 1 ? 4  
ATOM   2437 N NH2 . ARG B 2 108 ? 34.176 10.905  -37.638 1.000 27.221  0 110 ARG BBB NH2 1 ? 4  
ATOM   2438 N N   . PRO B 2 109 ? 42.947 7.779   -36.887 1.000 26.848  0 111 PRO BBB N   1 ? 4  
ATOM   2439 C CA  . PRO B 2 109 ? 43.783 7.023   -35.958 1.000 27.717  0 111 PRO BBB CA  1 ? 4  
ATOM   2440 C C   . PRO B 2 109 ? 43.001 6.361   -34.811 1.000 28.419  0 111 PRO BBB C   1 ? 4  
ATOM   2441 O O   . PRO B 2 109 ? 43.348 5.260   -34.421 1.000 28.770  0 111 PRO BBB O   1 ? 4  
ATOM   2442 C CB  . PRO B 2 109 ? 44.752 8.070   -35.403 1.000 29.400  0 111 PRO BBB CB  1 ? 4  
ATOM   2443 C CG  . PRO B 2 109 ? 44.852 9.105   -36.512 1.000 30.124  0 111 PRO BBB CG  1 ? 4  
ATOM   2444 C CD  . PRO B 2 109 ? 43.465 9.149   -37.115 1.000 28.041  0 111 PRO BBB CD  1 ? 4  
ATOM   2445 N N   . THR B 2 110 ? 41.953 7.020   -34.317 1.000 27.135  0 112 THR BBB N   1 ? 4  
ATOM   2446 C CA  . THR B 2 110 ? 41.148 6.548   -33.157 1.000 26.840  0 112 THR BBB CA  1 ? 4  
ATOM   2447 C C   . THR B 2 110 ? 40.362 5.282   -33.507 1.000 25.606  0 112 THR BBB C   1 ? 4  
ATOM   2448 O O   . THR B 2 110 ? 39.882 4.645   -32.552 1.000 25.716  0 112 THR BBB O   1 ? 4  
ATOM   2449 C CB  . THR B 2 110 ? 40.204 7.641   -32.639 1.000 27.555  0 112 THR BBB CB  1 ? 4  
ATOM   2450 O OG1 . THR B 2 110 ? 39.427 8.169   -33.720 1.000 26.519  0 112 THR BBB OG1 1 ? 4  
ATOM   2451 C CG2 . THR B 2 110 ? 40.977 8.748   -31.958 1.000 29.316  0 112 THR BBB CG2 1 ? 4  
ATOM   2452 N N   . GLU B 2 111 ? 40.221 4.944   -34.790 1.000 23.579  0 113 GLU BBB N   1 ? 4  
ATOM   2453 C CA  . GLU B 2 111 ? 39.508 3.719   -35.240 1.000 23.376  0 113 GLU BBB CA  1 ? 4  
ATOM   2454 C C   . GLU B 2 111 ? 40.442 2.492   -35.245 1.000 23.156  0 113 GLU BBB C   1 ? 4  
ATOM   2455 O O   . GLU B 2 111 ? 39.960 1.404   -35.623 1.000 23.586  0 113 GLU BBB O   1 ? 4  
ATOM   2456 C CB  . GLU B 2 111 ? 38.874 3.944   -36.612 1.000 22.653  0 113 GLU BBB CB  1 ? 4  
ATOM   2457 C CG  . GLU B 2 111 ? 37.691 4.909   -36.594 1.000 23.017  0 113 GLU BBB CG  1 ? 4  
ATOM   2458 C CD  . GLU B 2 111 ? 36.421 4.368   -35.975 1.000 21.924  0 113 GLU BBB CD  1 ? 4  
ATOM   2459 O OE1 . GLU B 2 111 ? 35.489 4.064   -36.739 1.000 21.927  0 113 GLU BBB OE1 1 ? 4  
ATOM   2460 O OE2 . GLU B 2 111 ? 36.371 4.238   -34.729 1.000 24.463  0 113 GLU BBB OE2 1 ? 4  
ATOM   2461 N N   . TYR B 2 112 ? 41.712 2.612   -34.860 1.000 23.630  0 114 TYR BBB N   1 ? 4  
ATOM   2462 C CA  . TYR B 2 112 ? 42.660 1.457   -34.866 1.000 25.527  0 114 TYR BBB CA  1 ? 4  
ATOM   2463 C C   . TYR B 2 112 ? 43.140 1.209   -33.438 1.000 27.521  0 114 TYR BBB C   1 ? 4  
ATOM   2464 O O   . TYR B 2 112 ? 43.667 2.126   -32.790 1.000 27.684  0 114 TYR BBB O   1 ? 4  
ATOM   2465 C CB  . TYR B 2 112 ? 43.801 1.665   -35.867 1.000 24.957  0 114 TYR BBB CB  1 ? 4  
ATOM   2466 C CG  . TYR B 2 112 ? 43.314 1.867   -37.279 1.000 23.976  0 114 TYR BBB CG  1 ? 4  
ATOM   2467 C CD1 . TYR B 2 112 ? 42.905 3.113   -37.737 1.000 23.373  0 114 TYR BBB CD1 1 ? 4  
ATOM   2468 C CD2 . TYR B 2 112 ? 43.198 0.802   -38.157 1.000 23.919  0 114 TYR BBB CD2 1 ? 4  
ATOM   2469 C CE1 . TYR B 2 112 ? 42.445 3.295   -39.036 1.000 22.662  0 114 TYR BBB CE1 1 ? 4  
ATOM   2470 C CE2 . TYR B 2 112 ? 42.758 0.974   -39.458 1.000 22.302  0 114 TYR BBB CE2 1 ? 4  
ATOM   2471 C CZ  . TYR B 2 112 ? 42.353 2.218   -39.902 1.000 23.004  0 114 TYR BBB CZ  1 ? 4  
ATOM   2472 O OH  . TYR B 2 112 ? 41.878 2.350   -41.187 1.000 22.814  0 114 TYR BBB OH  1 ? 4  
ATOM   2473 N N   . GLU B 2 113 ? 42.894 0.002   -32.922 1.000 27.418  0 115 GLU BBB N   1 ? 4  
ATOM   2474 C CA  . GLU B 2 113 ? 43.243 -0.336  -31.519 1.000 29.573  0 115 GLU BBB CA  1 ? 4  
ATOM   2475 C C   . GLU B 2 113 ? 44.758 -0.533  -31.386 1.000 30.142  0 115 GLU BBB C   1 ? 4  
ATOM   2476 O O   . GLU B 2 113 ? 45.299 -0.134  -30.364 1.000 29.987  0 115 GLU BBB O   1 ? 4  
ATOM   2477 C CB  . GLU B 2 113 ? 42.477 -1.580  -31.068 1.000 31.799  0 115 GLU BBB CB  1 ? 4  
ATOM   2478 C CG  . GLU B 2 113 ? 42.863 -2.059  -29.681 1.000 36.457  0 115 GLU BBB CG  1 ? 4  
ATOM   2479 C CD  . GLU B 2 113 ? 41.992 -3.185  -29.153 1.000 38.500  0 115 GLU BBB CD  1 ? 4  
ATOM   2480 O OE1 . GLU B 2 113 ? 41.138 -3.679  -29.922 1.000 39.101  0 115 GLU BBB OE1 1 ? 4  
ATOM   2481 O OE2 . GLU B 2 113 ? 42.184 -3.572  -27.993 1.000 40.288  0 115 GLU BBB OE2 1 ? 4  
ATOM   2482 N N   . PHE B 2 114 ? 45.418 -1.154  -32.368 1.000 30.204  0 116 PHE BBB N   1 ? 4  
ATOM   2483 C CA  . PHE B 2 114 ? 46.817 -1.643  -32.234 1.000 32.392  0 116 PHE BBB CA  1 ? 4  
ATOM   2484 C C   . PHE B 2 114 ? 47.753 -0.814  -33.115 1.000 31.853  0 116 PHE BBB C   1 ? 4  
ATOM   2485 O O   . PHE B 2 114 ? 47.387 -0.532  -34.254 1.000 30.867  0 116 PHE BBB O   1 ? 4  
ATOM   2486 C CB  . PHE B 2 114 ? 46.893 -3.137  -32.558 1.000 32.196  0 116 PHE BBB CB  1 ? 4  
ATOM   2487 C CG  . PHE B 2 114 ? 46.019 -3.991  -31.675 1.000 32.514  0 116 PHE BBB CG  1 ? 4  
ATOM   2488 C CD1 . PHE B 2 114 ? 46.400 -4.275  -30.375 1.000 34.897  0 116 PHE BBB CD1 1 ? 4  
ATOM   2489 C CD2 . PHE B 2 114 ? 44.792 -4.459  -32.123 1.000 31.040  0 116 PHE BBB CD2 1 ? 4  
ATOM   2490 C CE1 . PHE B 2 114 ? 45.586 -5.042  -29.553 1.000 36.159  0 116 PHE BBB CE1 1 ? 4  
ATOM   2491 C CE2 . PHE B 2 114 ? 43.985 -5.235  -31.303 1.000 32.553  0 116 PHE BBB CE2 1 ? 4  
ATOM   2492 C CZ  . PHE B 2 114 ? 44.380 -5.516  -30.017 1.000 34.864  0 116 PHE BBB CZ  1 ? 4  
ATOM   2493 N N   . TRP B 2 115 ? 48.931 -0.474  -32.584 1.000 33.740  0 117 TRP BBB N   1 ? 4  
ATOM   2494 C CA  . TRP B 2 115 ? 49.914 0.458   -33.197 1.000 34.317  0 117 TRP BBB CA  1 ? 4  
ATOM   2495 C C   . TRP B 2 115 ? 51.328 -0.086  -33.023 1.000 37.171  0 117 TRP BBB C   1 ? 4  
ATOM   2496 O O   . TRP B 2 115 ? 51.706 -0.393  -31.876 1.000 37.919  0 117 TRP BBB O   1 ? 4  
ATOM   2497 C CB  . TRP B 2 115 ? 49.795 1.848   -32.564 1.000 33.862  0 117 TRP BBB CB  1 ? 4  
ATOM   2498 C CG  . TRP B 2 115 ? 48.540 2.523   -32.996 1.000 32.000  0 117 TRP BBB CG  1 ? 4  
ATOM   2499 C CD1 . TRP B 2 115 ? 47.302 2.382   -32.444 1.000 31.309  0 117 TRP BBB CD1 1 ? 4  
ATOM   2500 C CD2 . TRP B 2 115 ? 48.381 3.388   -34.133 1.000 31.081  0 117 TRP BBB CD2 1 ? 4  
ATOM   2501 N NE1 . TRP B 2 115 ? 46.385 3.100   -33.163 1.000 30.136  0 117 TRP BBB NE1 1 ? 4  
ATOM   2502 C CE2 . TRP B 2 115 ? 47.015 3.725   -34.202 1.000 29.423  0 117 TRP BBB CE2 1 ? 4  
ATOM   2503 C CE3 . TRP B 2 115 ? 49.250 3.895   -35.105 1.000 30.719  0 117 TRP BBB CE3 1 ? 4  
ATOM   2504 C CZ2 . TRP B 2 115 ? 46.505 4.570   -35.187 1.000 28.280  0 117 TRP BBB CZ2 1 ? 4  
ATOM   2505 C CZ3 . TRP B 2 115 ? 48.743 4.717   -36.085 1.000 29.767  0 117 TRP BBB CZ3 1 ? 4  
ATOM   2506 C CH2 . TRP B 2 115 ? 47.391 5.062   -36.113 1.000 28.363  0 117 TRP BBB CH2 1 ? 4  
ATOM   2507 N N   . GLY B 2 116 ? 52.080 -0.163  -34.115 1.000 36.821  0 118 GLY BBB N   1 ? 4  
ATOM   2508 C CA  . GLY B 2 116 ? 53.535 -0.358  -34.039 1.000 40.467  0 118 GLY BBB CA  1 ? 4  
ATOM   2509 C C   . GLY B 2 116 ? 54.204 0.877   -33.459 1.000 42.146  0 118 GLY BBB C   1 ? 4  
ATOM   2510 O O   . GLY B 2 116 ? 53.520 1.888   -33.246 1.000 40.540  0 118 GLY BBB O   1 ? 4  
ATOM   2511 N N   . GLN B 2 117 ? 55.506 0.788   -33.229 1.000 45.478  0 119 GLN BBB N   1 ? 4  
ATOM   2512 C CA  . GLN B 2 117 ? 56.350 1.873   -32.673 1.000 49.564  0 119 GLN BBB CA  1 ? 4  
ATOM   2513 C C   . GLN B 2 117 ? 56.702 2.878   -33.771 1.000 47.730  0 119 GLN BBB C   1 ? 4  
ATOM   2514 O O   . GLN B 2 117 ? 57.114 4.004   -33.429 1.000 47.610  0 119 GLN BBB O   1 ? 4  
ATOM   2515 C CB  . GLN B 2 117 ? 57.601 1.246   -32.061 1.000 54.454  0 119 GLN BBB CB  1 ? 4  
ATOM   2516 C CG  . GLN B 2 117 ? 57.290 0.493   -30.777 1.000 58.936  0 119 GLN BBB CG  1 ? 4  
ATOM   2517 C CD  . GLN B 2 117 ? 56.865 1.461   -29.701 1.000 62.572  0 119 GLN BBB CD  1 ? 4  
ATOM   2518 O OE1 . GLN B 2 117 ? 55.679 1.684   -29.468 1.000 65.831  0 119 GLN BBB OE1 1 ? 4  
ATOM   2519 N NE2 . GLN B 2 117 ? 57.843 2.094   -29.077 1.000 67.151  0 119 GLN BBB NE2 1 ? 4  
ATOM   2520 N N   . GLY B 2 118 ? 56.561 2.468   -35.033 1.000 45.093  0 120 GLY BBB N   1 ? 4  
ATOM   2521 C CA  . GLY B 2 118 ? 56.861 3.297   -36.213 1.000 43.482  0 120 GLY BBB CA  1 ? 4  
ATOM   2522 C C   . GLY B 2 118 ? 58.288 3.092   -36.681 1.000 44.850  0 120 GLY BBB C   1 ? 4  
ATOM   2523 O O   . GLY B 2 118 ? 59.130 2.639   -35.877 1.000 46.101  0 120 GLY BBB O   1 ? 4  
ATOM   2524 N N   . THR B 2 119 ? 58.551 3.383   -37.953 1.000 42.328  0 121 THR BBB N   1 ? 4  
ATOM   2525 C CA  . THR B 2 119 ? 59.911 3.336   -38.536 1.000 43.955  0 121 THR BBB CA  1 ? 4  
ATOM   2526 C C   . THR B 2 119 ? 60.117 4.593   -39.373 1.000 42.799  0 121 THR BBB C   1 ? 4  
ATOM   2527 O O   . THR B 2 119 ? 59.153 5.024   -40.025 1.000 40.472  0 121 THR BBB O   1 ? 4  
ATOM   2528 C CB  . THR B 2 119 ? 60.156 2.053   -39.337 1.000 44.485  0 121 THR BBB CB  1 ? 4  
ATOM   2529 O OG1 . THR B 2 119 ? 61.564 2.041   -39.584 1.000 46.411  0 121 THR BBB OG1 1 ? 4  
ATOM   2530 C CG2 . THR B 2 119 ? 59.370 1.977   -40.627 1.000 42.057  0 121 THR BBB CG2 1 ? 4  
ATOM   2531 N N   . GLN B 2 120 ? 61.316 5.171   -39.296 1.000 44.190  0 122 GLN BBB N   1 ? 4  
ATOM   2532 C CA  . GLN B 2 120 ? 61.674 6.418   -40.009 1.000 44.562  0 122 GLN BBB CA  1 ? 4  
ATOM   2533 C C   . GLN B 2 120 ? 61.848 6.097   -41.494 1.000 43.647  0 122 GLN BBB C   1 ? 4  
ATOM   2534 O O   . GLN B 2 120 ? 62.528 5.096   -41.825 1.000 43.558  0 122 GLN BBB O   1 ? 4  
ATOM   2535 C CB  . GLN B 2 120 ? 62.959 7.036   -39.456 1.000 47.553  0 122 GLN BBB CB  1 ? 4  
ATOM   2536 C CG  . GLN B 2 120 ? 63.374 8.309   -40.185 1.000 49.190  0 122 GLN BBB CG  1 ? 4  
ATOM   2537 C CD  . GLN B 2 120 ? 62.421 9.450   -39.916 1.000 49.341  0 122 GLN BBB CD  1 ? 4  
ATOM   2538 O OE1 . GLN B 2 120 ? 62.028 9.697   -38.780 1.000 50.003  0 122 GLN BBB OE1 1 ? 4  
ATOM   2539 N NE2 . GLN B 2 120 ? 62.045 10.163  -40.964 1.000 49.205  0 122 GLN BBB NE2 1 ? 4  
ATOM   2540 N N   . VAL B 2 121 ? 61.246 6.928   -42.341 1.000 42.071  0 123 VAL BBB N   1 ? 4  
ATOM   2541 C CA  . VAL B 2 121 ? 61.542 7.012   -43.798 1.000 41.568  0 123 VAL BBB CA  1 ? 4  
ATOM   2542 C C   . VAL B 2 121 ? 62.022 8.438   -44.064 1.000 43.308  0 123 VAL BBB C   1 ? 4  
ATOM   2543 O O   . VAL B 2 121 ? 61.295 9.386   -43.673 1.000 42.860  0 123 VAL BBB O   1 ? 4  
ATOM   2544 C CB  . VAL B 2 121 ? 60.303 6.646   -44.631 1.000 38.938  0 123 VAL BBB CB  1 ? 4  
ATOM   2545 C CG1 . VAL B 2 121 ? 60.547 6.825   -46.119 1.000 39.216  0 123 VAL BBB CG1 1 ? 4  
ATOM   2546 C CG2 . VAL B 2 121 ? 59.825 5.233   -44.316 1.000 37.825  0 123 VAL BBB CG2 1 ? 4  
ATOM   2547 N N   . THR B 2 122 ? 63.211 8.566   -44.662 1.000 45.616  0 124 THR BBB N   1 ? 4  
ATOM   2548 C CA  . THR B 2 122 ? 63.858 9.848   -45.037 1.000 48.227  0 124 THR BBB CA  1 ? 4  
ATOM   2549 C C   . THR B 2 122 ? 64.160 9.832   -46.534 1.000 48.925  0 124 THR BBB C   1 ? 4  
ATOM   2550 O O   . THR B 2 122 ? 64.992 9.004   -46.956 1.000 49.323  0 124 THR BBB O   1 ? 4  
ATOM   2551 C CB  . THR B 2 122 ? 65.132 10.065  -44.218 1.000 50.822  0 124 THR BBB CB  1 ? 4  
ATOM   2552 O OG1 . THR B 2 122 ? 64.719 9.947   -42.858 1.000 51.006  0 124 THR BBB OG1 1 ? 4  
ATOM   2553 C CG2 . THR B 2 122 ? 65.800 11.399  -44.475 1.000 53.121  0 124 THR BBB CG2 1 ? 4  
ATOM   2554 N N   . VAL B 2 123 ? 63.497 10.707  -47.292 1.000 49.848  0 125 VAL BBB N   1 ? 4  
ATOM   2555 C CA  . VAL B 2 123 ? 63.711 10.888  -48.758 1.000 51.611  0 125 VAL BBB CA  1 ? 4  
ATOM   2556 C C   . VAL B 2 123 ? 64.545 12.157  -48.955 1.000 56.236  0 125 VAL BBB C   1 ? 4  
ATOM   2557 O O   . VAL B 2 123 ? 63.983 13.249  -48.784 1.000 59.634  0 125 VAL BBB O   1 ? 4  
ATOM   2558 C CB  . VAL B 2 123 ? 62.373 10.959  -49.520 1.000 49.800  0 125 VAL BBB CB  1 ? 4  
ATOM   2559 C CG1 . VAL B 2 123 ? 62.592 11.036  -51.022 1.000 50.612  0 125 VAL BBB CG1 1 ? 4  
ATOM   2560 C CG2 . VAL B 2 123 ? 61.456 9.798   -49.175 1.000 48.153  0 125 VAL BBB CG2 1 ? 4  
ATOM   2561 N N   . SER B 2 124 ? 65.834 12.016  -49.269 1.000 58.945  0 126 SER BBB N   1 ? 4  
ATOM   2562 C CA  . SER B 2 124 ? 66.761 13.140  -49.565 1.000 63.747  0 126 SER BBB CA  1 ? 4  
ATOM   2563 C C   . SER B 2 124 ? 66.599 13.561  -51.026 1.000 65.913  0 126 SER BBB C   1 ? 4  
ATOM   2564 O O   . SER B 2 124 ? 66.059 12.767  -51.805 1.000 65.963  0 126 SER BBB O   1 ? 4  
ATOM   2565 C CB  . SER B 2 124 ? 68.175 12.747  -49.292 1.000 64.886  0 126 SER BBB CB  1 ? 4  
ATOM   2566 O OG  . SER B 2 124 ? 68.548 11.693  -50.158 1.000 64.518  0 126 SER BBB OG  1 ? 4  
ATOM   2567 N N   . SER B 2 125 ? 67.089 14.745  -51.391 1.000 70.365  0 127 SER BBB N   1 ? 4  
ATOM   2568 C CA  . SER B 2 125 ? 67.029 15.275  -52.778 1.000 73.648  0 127 SER BBB CA  1 ? 4  
ATOM   2569 C C   . SER B 2 125 ? 68.369 15.055  -53.487 1.000 75.234  0 127 SER BBB C   1 ? 4  
ATOM   2570 O O   . SER B 2 125 ? 69.384 15.637  -53.115 1.000 78.888  0 127 SER BBB O   1 ? 4  
ATOM   2571 C CB  . SER B 2 125 ? 66.626 16.715  -52.764 1.000 77.163  0 127 SER BBB CB  1 ? 4  
ATOM   2572 O OG  . SER B 2 125 ? 65.418 16.864  -52.033 1.000 77.744  0 127 SER BBB OG  1 ? 4  
ATOM   2573 N N   . GLN C 3 1   ? 37.760 -14.443 4.378   1.000 73.649  0 2   GLN FFF N   1 ? 9  
ATOM   2574 C CA  . GLN C 3 1   ? 38.899 -15.389 4.603   1.000 73.892  0 2   GLN FFF CA  1 ? 9  
ATOM   2575 C C   . GLN C 3 1   ? 40.134 -14.942 3.805   1.000 66.922  0 2   GLN FFF C   1 ? 9  
ATOM   2576 O O   . GLN C 3 1   ? 41.253 -15.280 4.233   1.000 67.806  0 2   GLN FFF O   1 ? 9  
ATOM   2577 C CB  . GLN C 3 1   ? 38.496 -16.816 4.232   1.000 78.003  0 2   GLN FFF CB  1 ? 9  
ATOM   2578 C CG  . GLN C 3 1   ? 38.420 -17.056 2.728   1.000 77.043  0 2   GLN FFF CG  1 ? 9  
ATOM   2579 C CD  . GLN C 3 1   ? 37.153 -17.750 2.291   1.000 82.536  0 2   GLN FFF CD  1 ? 9  
ATOM   2580 O OE1 . GLN C 3 1   ? 36.207 -17.915 3.061   1.000 89.721  0 2   GLN FFF OE1 1 ? 9  
ATOM   2581 N NE2 . GLN C 3 1   ? 37.124 -18.159 1.032   1.000 83.542  0 2   GLN FFF NE2 1 ? 9  
ATOM   2582 N N   . VAL C 3 2   ? 39.971 -14.209 2.699   1.000 61.895  0 3   VAL FFF N   1 ? 9  
ATOM   2583 C CA  . VAL C 3 2   ? 41.128 -13.481 2.100   1.000 58.114  0 3   VAL FFF CA  1 ? 9  
ATOM   2584 C C   . VAL C 3 2   ? 41.686 -12.594 3.217   1.000 58.309  0 3   VAL FFF C   1 ? 9  
ATOM   2585 O O   . VAL C 3 2   ? 40.878 -12.079 4.007   1.000 58.713  0 3   VAL FFF O   1 ? 9  
ATOM   2586 C CB  . VAL C 3 2   ? 40.771 -12.653 0.848   1.000 55.318  0 3   VAL FFF CB  1 ? 9  
ATOM   2587 C CG1 . VAL C 3 2   ? 39.860 -11.474 1.166   1.000 54.583  0 3   VAL FFF CG1 1 ? 9  
ATOM   2588 C CG2 . VAL C 3 2   ? 42.030 -12.180 0.142   1.000 52.514  0 3   VAL FFF CG2 1 ? 9  
ATOM   2589 N N   . GLN C 3 3   ? 43.007 -12.477 3.326   1.000 58.507  0 4   GLN FFF N   1 ? 9  
ATOM   2590 C CA  . GLN C 3 3   ? 43.663 -11.594 4.328   1.000 60.321  0 4   GLN FFF CA  1 ? 9  
ATOM   2591 C C   . GLN C 3 3   ? 44.617 -10.663 3.580   1.000 57.175  0 4   GLN FFF C   1 ? 9  
ATOM   2592 O O   . GLN C 3 3   ? 45.250 -11.128 2.624   1.000 57.047  0 4   GLN FFF O   1 ? 9  
ATOM   2593 C CB  . GLN C 3 3   ? 44.372 -12.423 5.399   1.000 63.455  0 4   GLN FFF CB  1 ? 9  
ATOM   2594 C CG  . GLN C 3 3   ? 43.435 -13.349 6.163   1.000 67.330  0 4   GLN FFF CG  1 ? 9  
ATOM   2595 C CD  . GLN C 3 3   ? 44.160 -14.143 7.216   1.000 71.469  0 4   GLN FFF CD  1 ? 9  
ATOM   2596 O OE1 . GLN C 3 3   ? 45.135 -13.680 7.802   1.000 73.762  0 4   GLN FFF OE1 1 ? 9  
ATOM   2597 N NE2 . GLN C 3 3   ? 43.684 -15.351 7.471   1.000 74.659  0 4   GLN FFF NE2 1 ? 9  
ATOM   2598 N N   . LEU C 3 4   ? 44.683 -9.399  3.997   1.000 56.196  0 5   LEU FFF N   1 ? 9  
ATOM   2599 C CA  . LEU C 3 4   ? 45.439 -8.317  3.314   1.000 54.289  0 5   LEU FFF CA  1 ? 9  
ATOM   2600 C C   . LEU C 3 4   ? 46.464 -7.725  4.285   1.000 53.702  0 5   LEU FFF C   1 ? 9  
ATOM   2601 O O   . LEU C 3 4   ? 46.090 -7.419  5.425   1.000 54.083  0 5   LEU FFF O   1 ? 9  
ATOM   2602 C CB  . LEU C 3 4   ? 44.456 -7.238  2.844   1.000 54.185  0 5   LEU FFF CB  1 ? 9  
ATOM   2603 C CG  . LEU C 3 4   ? 43.334 -7.706  1.919   1.000 54.784  0 5   LEU FFF CG  1 ? 9  
ATOM   2604 C CD1 . LEU C 3 4   ? 42.333 -6.579  1.678   1.000 55.530  0 5   LEU FFF CD1 1 ? 9  
ATOM   2605 C CD2 . LEU C 3 4   ? 43.894 -8.225  0.599   1.000 53.030  0 5   LEU FFF CD2 1 ? 9  
ATOM   2606 N N   . VAL C 3 5   ? 47.711 -7.580  3.844   1.000 52.256  0 6   VAL FFF N   1 ? 9  
ATOM   2607 C CA  . VAL C 3 5   ? 48.788 -6.911  4.626   1.000 53.889  0 6   VAL FFF CA  1 ? 9  
ATOM   2608 C C   . VAL C 3 5   ? 49.327 -5.753  3.785   1.000 52.184  0 6   VAL FFF C   1 ? 9  
ATOM   2609 O O   . VAL C 3 5   ? 50.003 -6.022  2.769   1.000 50.585  0 6   VAL FFF O   1 ? 9  
ATOM   2610 C CB  . VAL C 3 5   ? 49.907 -7.892  5.022   1.000 55.869  0 6   VAL FFF CB  1 ? 9  
ATOM   2611 C CG1 . VAL C 3 5   ? 51.045 -7.184  5.742   1.000 56.857  0 6   VAL FFF CG1 1 ? 9  
ATOM   2612 C CG2 . VAL C 3 5   ? 49.365 -9.043  5.852   1.000 58.098  0 6   VAL FFF CG2 1 ? 9  
ATOM   2613 N N   . GLU C 3 6   ? 49.020 -4.516  4.190   1.000 51.288  0 7   GLU FFF N   1 ? 9  
ATOM   2614 C CA  . GLU C 3 6   ? 49.635 -3.299  3.603   1.000 49.679  0 7   GLU FFF CA  1 ? 9  
ATOM   2615 C C   . GLU C 3 6   ? 51.057 -3.195  4.157   1.000 50.976  0 7   GLU FFF C   1 ? 9  
ATOM   2616 O O   . GLU C 3 6   ? 51.266 -3.553  5.335   1.000 51.658  0 7   GLU FFF O   1 ? 9  
ATOM   2617 C CB  . GLU C 3 6   ? 48.832 -2.037  3.928   1.000 49.202  0 7   GLU FFF CB  1 ? 9  
ATOM   2618 C CG  . GLU C 3 6   ? 47.354 -2.138  3.591   1.000 48.510  0 7   GLU FFF CG  1 ? 9  
ATOM   2619 C CD  . GLU C 3 6   ? 46.434 -2.585  4.717   1.000 50.019  0 7   GLU FFF CD  1 ? 9  
ATOM   2620 O OE1 . GLU C 3 6   ? 46.942 -3.123  5.720   1.000 53.134  0 7   GLU FFF OE1 1 ? 9  
ATOM   2621 O OE2 . GLU C 3 6   ? 45.206 -2.400  4.595   1.000 49.471  0 7   GLU FFF OE2 1 ? 9  
ATOM   2622 N N   . SER C 3 7   ? 51.996 -2.724  3.340   1.000 50.566  0 8   SER FFF N   1 ? 9  
ATOM   2623 C CA  . SER C 3 7   ? 53.356 -2.326  3.786   1.000 51.830  0 8   SER FFF CA  1 ? 9  
ATOM   2624 C C   . SER C 3 7   ? 53.876 -1.201  2.886   1.000 50.998  0 8   SER FFF C   1 ? 9  
ATOM   2625 O O   . SER C 3 7   ? 53.177 -0.863  1.901   1.000 48.282  0 8   SER FFF O   1 ? 9  
ATOM   2626 C CB  . SER C 3 7   ? 54.268 -3.498  3.749   1.000 52.910  0 8   SER FFF CB  1 ? 9  
ATOM   2627 O OG  . SER C 3 7   ? 54.373 -3.953  2.417   1.000 52.083  0 8   SER FFF OG  1 ? 9  
ATOM   2628 N N   . GLY C 3 8   ? 55.058 -0.665  3.206   1.000 52.218  0 9   GLY FFF N   1 ? 9  
ATOM   2629 C CA  . GLY C 3 8   ? 55.766 0.339   2.388   1.000 53.199  0 9   GLY FFF CA  1 ? 9  
ATOM   2630 C C   . GLY C 3 8   ? 55.663 1.741   2.966   1.000 54.230  0 9   GLY FFF C   1 ? 9  
ATOM   2631 O O   . GLY C 3 8   ? 56.448 2.603   2.531   1.000 56.301  0 9   GLY FFF O   1 ? 9  
ATOM   2632 N N   . GLY C 3 9   ? 54.740 1.978   3.905   1.000 54.515  0 10  GLY FFF N   1 ? 9  
ATOM   2633 C CA  . GLY C 3 9   ? 54.574 3.283   4.580   1.000 54.879  0 10  GLY FFF CA  1 ? 9  
ATOM   2634 C C   . GLY C 3 9   ? 55.819 3.683   5.365   1.000 56.551  0 10  GLY FFF C   1 ? 9  
ATOM   2635 O O   . GLY C 3 9   ? 56.690 2.811   5.567   1.000 58.718  0 10  GLY FFF O   1 ? 9  
ATOM   2636 N N   . GLY C 3 10  ? 55.899 4.947   5.804   1.000 55.312  0 11  GLY FFF N   1 ? 9  
ATOM   2637 C CA  . GLY C 3 10  ? 57.032 5.498   6.577   1.000 57.830  0 11  GLY FFF CA  1 ? 9  
ATOM   2638 C C   . GLY C 3 10  ? 57.127 7.013   6.455   1.000 57.812  0 11  GLY FFF C   1 ? 9  
ATOM   2639 O O   . GLY C 3 10  ? 56.205 7.614   5.875   1.000 58.263  0 11  GLY FFF O   1 ? 9  
ATOM   2640 N N   . LEU C 3 11  ? 58.213 7.605   6.957   1.000 59.259  0 12  LEU FFF N   1 ? 9  
ATOM   2641 C CA  . LEU C 3 11  ? 58.484 9.069   6.905   1.000 60.492  0 12  LEU FFF CA  1 ? 9  
ATOM   2642 C C   . LEU C 3 11  ? 59.027 9.443   5.526   1.000 59.642  0 12  LEU FFF C   1 ? 9  
ATOM   2643 O O   . LEU C 3 11  ? 60.020 8.834   5.100   1.000 60.597  0 12  LEU FFF O   1 ? 9  
ATOM   2644 C CB  . LEU C 3 11  ? 59.511 9.443   7.977   1.000 63.305  0 12  LEU FFF CB  1 ? 9  
ATOM   2645 C CG  . LEU C 3 11  ? 58.995 9.499   9.412   1.000 65.005  0 12  LEU FFF CG  1 ? 9  
ATOM   2646 C CD1 . LEU C 3 11  ? 60.153 9.485   10.399  1.000 67.731  0 12  LEU FFF CD1 1 ? 9  
ATOM   2647 C CD2 . LEU C 3 11  ? 58.128 10.732  9.625   1.000 65.931  0 12  LEU FFF CD2 1 ? 9  
ATOM   2648 N N   . VAL C 3 12  ? 58.423 10.432  4.870   1.000 58.987  0 13  VAL FFF N   1 ? 9  
ATOM   2649 C CA  . VAL C 3 12  ? 58.934 10.985  3.582   1.000 59.962  0 13  VAL FFF CA  1 ? 9  
ATOM   2650 C C   . VAL C 3 12  ? 58.783 12.506  3.616   1.000 60.961  0 13  VAL FFF C   1 ? 9  
ATOM   2651 O O   . VAL C 3 12  ? 57.825 12.994  4.236   1.000 59.588  0 13  VAL FFF O   1 ? 9  
ATOM   2652 C CB  . VAL C 3 12  ? 58.229 10.357  2.364   1.000 60.021  0 13  VAL FFF CB  1 ? 9  
ATOM   2653 C CG1 . VAL C 3 12  ? 56.727 10.219  2.569   1.000 59.327  0 13  VAL FFF CG1 1 ? 9  
ATOM   2654 C CG2 . VAL C 3 12  ? 58.529 11.112  1.074   1.000 61.112  0 13  VAL FFF CG2 1 ? 9  
ATOM   2655 N N   . GLN C 3 13  ? 59.713 13.216  2.977   1.000 62.488  0 14  GLN FFF N   1 ? 9  
ATOM   2656 C CA  . GLN C 3 13  ? 59.684 14.695  2.862   1.000 64.704  0 14  GLN FFF CA  1 ? 9  
ATOM   2657 C C   . GLN C 3 13  ? 58.675 15.071  1.781   1.000 62.756  0 14  GLN FFF C   1 ? 9  
ATOM   2658 O O   . GLN C 3 13  ? 58.427 14.282  0.867   1.000 61.450  0 14  GLN FFF O   1 ? 9  
ATOM   2659 C CB  . GLN C 3 13  ? 61.088 15.237  2.587   1.000 68.493  0 14  GLN FFF CB  1 ? 9  
ATOM   2660 C CG  . GLN C 3 13  ? 61.996 15.213  3.814   1.000 71.618  0 14  GLN FFF CG  1 ? 9  
ATOM   2661 C CD  . GLN C 3 13  ? 62.815 16.475  3.963   1.000 75.740  0 14  GLN FFF CD  1 ? 9  
ATOM   2662 O OE1 . GLN C 3 13  ? 63.236 17.088  2.982   1.000 78.240  0 14  GLN FFF OE1 1 ? 9  
ATOM   2663 N NE2 . GLN C 3 13  ? 63.047 16.882  5.203   1.000 78.623  0 14  GLN FFF NE2 1 ? 9  
ATOM   2664 N N   . PRO C 3 14  ? 58.048 16.273  1.862   1.000 62.684  0 15  PRO FFF N   1 ? 9  
ATOM   2665 C CA  . PRO C 3 14  ? 57.154 16.743  0.803   1.000 61.601  0 15  PRO FFF CA  1 ? 9  
ATOM   2666 C C   . PRO C 3 14  ? 57.867 16.660  -0.558  1.000 61.628  0 15  PRO FFF C   1 ? 9  
ATOM   2667 O O   . PRO C 3 14  ? 59.060 16.915  -0.601  1.000 62.122  0 15  PRO FFF O   1 ? 9  
ATOM   2668 C CB  . PRO C 3 14  ? 56.805 18.188  1.203   1.000 63.620  0 15  PRO FFF CB  1 ? 9  
ATOM   2669 C CG  . PRO C 3 14  ? 57.074 18.256  2.702   1.000 63.993  0 15  PRO FFF CG  1 ? 9  
ATOM   2670 C CD  . PRO C 3 14  ? 58.174 17.246  2.965   1.000 63.647  0 15  PRO FFF CD  1 ? 9  
ATOM   2671 N N   . GLY C 3 15  ? 57.144 16.242  -1.608  1.000 60.130  0 16  GLY FFF N   1 ? 9  
ATOM   2672 C CA  . GLY C 3 15  ? 57.659 16.135  -2.988  1.000 60.761  0 16  GLY FFF CA  1 ? 9  
ATOM   2673 C C   . GLY C 3 15  ? 58.215 14.755  -3.291  1.000 59.874  0 16  GLY FFF C   1 ? 9  
ATOM   2674 O O   . GLY C 3 15  ? 58.421 14.460  -4.480  1.000 60.213  0 16  GLY FFF O   1 ? 9  
ATOM   2675 N N   . GLY C 3 16  ? 58.439 13.933  -2.260  1.000 58.418  0 17  GLY FFF N   1 ? 9  
ATOM   2676 C CA  . GLY C 3 16  ? 59.031 12.590  -2.382  1.000 57.943  0 17  GLY FFF CA  1 ? 9  
ATOM   2677 C C   . GLY C 3 16  ? 58.014 11.557  -2.829  1.000 56.107  0 17  GLY FFF C   1 ? 9  
ATOM   2678 O O   . GLY C 3 16  ? 56.821 11.895  -2.967  1.000 54.629  0 17  GLY FFF O   1 ? 9  
ATOM   2679 N N   . SER C 3 17  ? 58.479 10.328  -3.048  1.000 56.858  0 18  SER FFF N   1 ? 9  
ATOM   2680 C CA  . SER C 3 17  ? 57.673 9.185   -3.546  1.000 56.181  0 18  SER FFF CA  1 ? 9  
ATOM   2681 C C   . SER C 3 17  ? 57.692 8.050   -2.520  1.000 55.536  0 18  SER FFF C   1 ? 9  
ATOM   2682 O O   . SER C 3 17  ? 58.550 8.056   -1.630  1.000 56.567  0 18  SER FFF O   1 ? 9  
ATOM   2683 C CB  . SER C 3 17  ? 58.161 8.721   -4.896  1.000 56.975  0 18  SER FFF CB  1 ? 9  
ATOM   2684 O OG  . SER C 3 17  ? 58.236 9.817   -5.799  1.000 58.650  0 18  SER FFF OG  1 ? 9  
ATOM   2685 N N   . LEU C 3 18  ? 56.739 7.136   -2.643  1.000 54.152  0 19  LEU FFF N   1 ? 9  
ATOM   2686 C CA  . LEU C 3 18  ? 56.571 5.932   -1.792  1.000 54.675  0 19  LEU FFF CA  1 ? 9  
ATOM   2687 C C   . LEU C 3 18  ? 55.741 4.957   -2.604  1.000 52.716  0 19  LEU FFF C   1 ? 9  
ATOM   2688 O O   . LEU C 3 18  ? 54.819 5.447   -3.289  1.000 51.714  0 19  LEU FFF O   1 ? 9  
ATOM   2689 C CB  . LEU C 3 18  ? 55.790 6.269   -0.520  1.000 56.005  0 19  LEU FFF CB  1 ? 9  
ATOM   2690 C CG  . LEU C 3 18  ? 56.588 6.474   0.760   1.000 57.828  0 19  LEU FFF CG  1 ? 9  
ATOM   2691 C CD1 . LEU C 3 18  ? 55.628 6.715   1.912   1.000 58.330  0 19  LEU FFF CD1 1 ? 9  
ATOM   2692 C CD2 . LEU C 3 18  ? 57.482 5.280   1.052   1.000 58.835  0 19  LEU FFF CD2 1 ? 9  
ATOM   2693 N N   . THR C 3 19  ? 56.025 3.663   -2.488  1.000 51.838  0 20  THR FFF N   1 ? 9  
ATOM   2694 C CA  . THR C 3 19  ? 55.200 2.587   -3.088  1.000 51.259  0 20  THR FFF CA  1 ? 9  
ATOM   2695 C C   . THR C 3 19  ? 54.642 1.724   -1.958  1.000 50.491  0 20  THR FFF C   1 ? 9  
ATOM   2696 O O   . THR C 3 19  ? 55.440 1.031   -1.291  1.000 51.329  0 20  THR FFF O   1 ? 9  
ATOM   2697 C CB  . THR C 3 19  ? 55.994 1.789   -4.127  1.000 52.624  0 20  THR FFF CB  1 ? 9  
ATOM   2698 O OG1 . THR C 3 19  ? 56.549 2.732   -5.046  1.000 53.547  0 20  THR FFF OG1 1 ? 9  
ATOM   2699 C CG2 . THR C 3 19  ? 55.141 0.782   -4.869  1.000 51.538  0 20  THR FFF CG2 1 ? 9  
ATOM   2700 N N   . LEU C 3 20  ? 53.326 1.793   -1.741  1.000 48.853  0 21  LEU FFF N   1 ? 9  
ATOM   2701 C CA  . LEU C 3 20  ? 52.604 0.897   -0.801  1.000 47.476  0 21  LEU FFF CA  1 ? 9  
ATOM   2702 C C   . LEU C 3 20  ? 52.350 -0.430  -1.519  1.000 46.806  0 21  LEU FFF C   1 ? 9  
ATOM   2703 O O   . LEU C 3 20  ? 52.108 -0.407  -2.756  1.000 45.766  0 21  LEU FFF O   1 ? 9  
ATOM   2704 C CB  . LEU C 3 20  ? 51.293 1.546   -0.341  1.000 46.757  0 21  LEU FFF CB  1 ? 9  
ATOM   2705 C CG  . LEU C 3 20  ? 51.391 2.983   0.183   1.000 47.018  0 21  LEU FFF CG  1 ? 9  
ATOM   2706 C CD1 . LEU C 3 20  ? 50.111 3.376   0.898   1.000 46.382  0 21  LEU FFF CD1 1 ? 9  
ATOM   2707 C CD2 . LEU C 3 20  ? 52.588 3.159   1.106   1.000 48.547  0 21  LEU FFF CD2 1 ? 9  
ATOM   2708 N N   . SER C 3 21  ? 52.451 -1.544  -0.792  1.000 46.929  0 22  SER FFF N   1 ? 9  
ATOM   2709 C CA  . SER C 3 21  ? 52.084 -2.902  -1.282  1.000 47.015  0 22  SER FFF CA  1 ? 9  
ATOM   2710 C C   . SER C 3 21  ? 50.924 -3.415  -0.437  1.000 47.107  0 22  SER FFF C   1 ? 9  
ATOM   2711 O O   . SER C 3 21  ? 50.974 -3.226  0.784   1.000 47.213  0 22  SER FFF O   1 ? 9  
ATOM   2712 C CB  . SER C 3 21  ? 53.244 -3.855  -1.227  1.000 48.566  0 22  SER FFF CB  1 ? 9  
ATOM   2713 O OG  . SER C 3 21  ? 54.235 -3.481  -2.164  1.000 48.940  0 22  SER FFF OG  1 ? 9  
ATOM   2714 N N   . CYS C 3 22  ? 49.916 -4.001  -1.080  1.000 46.840  0 23  CYS FFF N   1 ? 9  
ATOM   2715 C CA  . CYS C 3 22  ? 48.794 -4.722  -0.426  1.000 47.427  0 23  CYS FFF CA  1 ? 9  
ATOM   2716 C C   . CYS C 3 22  ? 48.868 -6.177  -0.875  1.000 47.353  0 23  CYS FFF C   1 ? 9  
ATOM   2717 O O   . CYS C 3 22  ? 48.481 -6.442  -2.032  1.000 47.268  0 23  CYS FFF O   1 ? 9  
ATOM   2718 C CB  . CYS C 3 22  ? 47.447 -4.107  -0.786  1.000 48.596  0 23  CYS FFF CB  1 ? 9  
ATOM   2719 S SG  . CYS C 3 22  ? 46.021 -5.123  -0.320  1.000 50.175  0 23  CYS FFF SG  1 ? 9  
ATOM   2720 N N   . VAL C 3 23  ? 49.409 -7.042  -0.014  1.000 47.170  0 24  VAL FFF N   1 ? 9  
ATOM   2721 C CA  . VAL C 3 23  ? 49.649 -8.486  -0.305  1.000 47.863  0 24  VAL FFF CA  1 ? 9  
ATOM   2722 C C   . VAL C 3 23  ? 48.493 -9.279  0.305   1.000 47.646  0 24  VAL FFF C   1 ? 9  
ATOM   2723 O O   . VAL C 3 23  ? 48.214 -9.105  1.505   1.000 48.595  0 24  VAL FFF O   1 ? 9  
ATOM   2724 C CB  . VAL C 3 23  ? 51.013 -8.955  0.230   1.000 49.757  0 24  VAL FFF CB  1 ? 9  
ATOM   2725 C CG1 . VAL C 3 23  ? 51.252 -10.439 -0.051  1.000 51.244  0 24  VAL FFF CG1 1 ? 9  
ATOM   2726 C CG2 . VAL C 3 23  ? 52.148 -8.102  -0.315  1.000 49.389  0 24  VAL FFF CG2 1 ? 9  
ATOM   2727 N N   . ALA C 3 24  ? 47.830 -10.092 -0.509  1.000 46.521  0 25  ALA FFF N   1 ? 9  
ATOM   2728 C CA  . ALA C 3 24  ? 46.678 -10.909 -0.086  1.000 47.578  0 25  ALA FFF CA  1 ? 9  
ATOM   2729 C C   . ALA C 3 24  ? 47.157 -12.342 0.140   1.000 48.889  0 25  ALA FFF C   1 ? 9  
ATOM   2730 O O   . ALA C 3 24  ? 48.095 -12.775 -0.563  1.000 48.638  0 25  ALA FFF O   1 ? 9  
ATOM   2731 C CB  . ALA C 3 24  ? 45.597 -10.844 -1.126  1.000 46.806  0 25  ALA FFF CB  1 ? 9  
ATOM   2732 N N   . SER C 3 25  ? 46.556 -13.018 1.118   1.000 51.123  0 26  SER FFF N   1 ? 9  
ATOM   2733 C CA  A SER C 3 25  ? 46.798 -14.447 1.444   0.500 52.432  0 26  SER FFF CA  1 ? 9  
ATOM   2734 C CA  B SER C 3 25  ? 46.798 -14.449 1.433   0.500 52.941  0 26  SER FFF CA  1 ? 9  
ATOM   2735 C C   . SER C 3 25  ? 45.453 -15.175 1.528   1.000 53.510  0 26  SER FFF C   1 ? 9  
ATOM   2736 O O   . SER C 3 25  ? 44.412 -14.478 1.592   1.000 51.942  0 26  SER FFF O   1 ? 9  
ATOM   2737 C CB  A SER C 3 25  ? 47.582 -14.595 2.728   0.500 54.650  0 26  SER FFF CB  1 ? 9  
ATOM   2738 C CB  B SER C 3 25  ? 47.603 -14.600 2.701   0.500 55.777  0 26  SER FFF CB  1 ? 9  
ATOM   2739 O OG  A SER C 3 25  ? 46.750 -14.401 3.862   0.500 54.959  0 26  SER FFF OG  1 ? 9  
ATOM   2740 O OG  B SER C 3 25  ? 48.964 -14.258 2.477   0.500 56.247  0 26  SER FFF OG  1 ? 9  
ATOM   2741 N N   . GLU C 3 26  ? 45.498 -16.516 1.503   1.000 55.471  0 27  GLU FFF N   1 ? 9  
ATOM   2742 C CA  . GLU C 3 26  ? 44.360 -17.445 1.744   1.000 57.385  0 27  GLU FFF CA  1 ? 9  
ATOM   2743 C C   . GLU C 3 26  ? 43.384 -17.495 0.553   1.000 54.988  0 27  GLU FFF C   1 ? 9  
ATOM   2744 O O   . GLU C 3 26  ? 42.646 -18.489 0.469   1.000 55.446  0 27  GLU FFF O   1 ? 9  
ATOM   2745 C CB  . GLU C 3 26  ? 43.685 -17.098 3.074   1.000 58.947  0 27  GLU FFF CB  1 ? 9  
ATOM   2746 C CG  . GLU C 3 26  ? 44.511 -17.527 4.278   1.000 62.416  0 27  GLU FFF CG  1 ? 9  
ATOM   2747 C CD  . GLU C 3 26  ? 44.630 -19.035 4.413   1.000 65.593  0 27  GLU FFF CD  1 ? 9  
ATOM   2748 O OE1 . GLU C 3 26  ? 43.659 -19.650 4.909   1.000 69.258  0 27  GLU FFF OE1 1 ? 9  
ATOM   2749 O OE2 . GLU C 3 26  ? 45.677 -19.599 4.001   1.000 65.770  0 27  GLU FFF OE2 1 ? 9  
ATOM   2750 N N   . SER C 3 27  ? 43.391 -16.509 -0.350  1.000 54.325  0 28  SER FFF N   1 ? 9  
ATOM   2751 C CA  . SER C 3 27  ? 42.526 -16.454 -1.566  1.000 53.781  0 28  SER FFF CA  1 ? 9  
ATOM   2752 C C   . SER C 3 27  ? 43.259 -15.734 -2.701  1.000 51.975  0 28  SER FFF C   1 ? 9  
ATOM   2753 O O   . SER C 3 27  ? 44.180 -14.945 -2.415  1.000 50.659  0 28  SER FFF O   1 ? 9  
ATOM   2754 C CB  . SER C 3 27  ? 41.210 -15.744 -1.312  1.000 54.082  0 28  SER FFF CB  1 ? 9  
ATOM   2755 O OG  . SER C 3 27  ? 40.613 -16.156 -0.092  1.000 59.528  0 28  SER FFF OG  1 ? 9  
ATOM   2756 N N   . SER C 3 28  ? 42.817 -15.939 -3.941  1.000 50.768  0 29  SER FFF N   1 ? 9  
ATOM   2757 C CA  . SER C 3 28  ? 43.277 -15.138 -5.100  1.000 49.603  0 29  SER FFF CA  1 ? 9  
ATOM   2758 C C   . SER C 3 28  ? 42.492 -13.826 -5.164  1.000 47.867  0 29  SER FFF C   1 ? 9  
ATOM   2759 O O   . SER C 3 28  ? 41.241 -13.852 -5.088  1.000 46.752  0 29  SER FFF O   1 ? 9  
ATOM   2760 C CB  . SER C 3 28  ? 43.159 -15.874 -6.393  1.000 49.669  0 29  SER FFF CB  1 ? 9  
ATOM   2761 O OG  . SER C 3 28  ? 43.660 -15.057 -7.438  1.000 48.717  0 29  SER FFF OG  1 ? 9  
ATOM   2762 N N   . LEU C 3 29  ? 43.216 -12.719 -5.319  1.000 48.114  0 30  LEU FFF N   1 ? 9  
ATOM   2763 C CA  . LEU C 3 29  ? 42.627 -11.380 -5.569  1.000 46.734  0 30  LEU FFF CA  1 ? 9  
ATOM   2764 C C   . LEU C 3 29  ? 42.170 -11.283 -7.028  1.000 46.164  0 30  LEU FFF C   1 ? 9  
ATOM   2765 O O   . LEU C 3 29  ? 41.331 -10.401 -7.323  1.000 46.493  0 30  LEU FFF O   1 ? 9  
ATOM   2766 C CB  . LEU C 3 29  ? 43.680 -10.299 -5.301  1.000 47.443  0 30  LEU FFF CB  1 ? 9  
ATOM   2767 C CG  . LEU C 3 29  ? 43.858 -9.840  -3.862  1.000 48.238  0 30  LEU FFF CG  1 ? 9  
ATOM   2768 C CD1 . LEU C 3 29  ? 44.764 -8.613  -3.837  1.000 48.301  0 30  LEU FFF CD1 1 ? 9  
ATOM   2769 C CD2 . LEU C 3 29  ? 42.520 -9.552  -3.193  1.000 47.949  0 30  LEU FFF CD2 1 ? 9  
ATOM   2770 N N   . ALA C 3 30  ? 42.738 -12.109 -7.912  1.000 45.722  0 31  ALA FFF N   1 ? 9  
ATOM   2771 C CA  . ALA C 3 30  ? 42.753 -11.895 -9.381  1.000 45.098  0 31  ALA FFF CA  1 ? 9  
ATOM   2772 C C   . ALA C 3 30  ? 41.353 -11.609 -9.928  1.000 44.088  0 31  ALA FFF C   1 ? 9  
ATOM   2773 O O   . ALA C 3 30  ? 41.226 -10.742 -10.777 1.000 42.249  0 31  ALA FFF O   1 ? 9  
ATOM   2774 C CB  . ALA C 3 30  ? 43.395 -13.066 -10.090 1.000 46.023  0 31  ALA FFF CB  1 ? 9  
ATOM   2775 N N   . PRO C 3 31  ? 40.270 -12.311 -9.504  1.000 43.562  0 32  PRO FFF N   1 ? 9  
ATOM   2776 C CA  . PRO C 3 31  ? 38.933 -12.060 -10.058 1.000 43.743  0 32  PRO FFF CA  1 ? 9  
ATOM   2777 C C   . PRO C 3 31  ? 38.205 -10.789 -9.565  1.000 42.530  0 32  PRO FFF C   1 ? 9  
ATOM   2778 O O   . PRO C 3 31  ? 37.111 -10.534 -10.037 1.000 42.099  0 32  PRO FFF O   1 ? 9  
ATOM   2779 C CB  . PRO C 3 31  ? 38.114 -13.279 -9.598  1.000 44.522  0 32  PRO FFF CB  1 ? 9  
ATOM   2780 C CG  . PRO C 3 31  ? 39.143 -14.275 -9.109  1.000 44.980  0 32  PRO FFF CG  1 ? 9  
ATOM   2781 C CD  . PRO C 3 31  ? 40.267 -13.428 -8.553  1.000 44.350  0 32  PRO FFF CD  1 ? 9  
ATOM   2782 N N   . TYR C 3 32  ? 38.793 -10.029 -8.634  1.000 42.433  0 33  TYR FFF N   1 ? 9  
ATOM   2783 C CA  . TYR C 3 32  ? 38.050 -9.065  -7.780  1.000 42.198  0 33  TYR FFF CA  1 ? 9  
ATOM   2784 C C   . TYR C 3 32  ? 38.645 -7.658  -7.877  1.000 41.669  0 33  TYR FFF C   1 ? 9  
ATOM   2785 O O   . TYR C 3 32  ? 39.867 -7.507  -8.073  1.000 40.418  0 33  TYR FFF O   1 ? 9  
ATOM   2786 C CB  . TYR C 3 32  ? 38.014 -9.588  -6.338  1.000 42.997  0 33  TYR FFF CB  1 ? 9  
ATOM   2787 C CG  . TYR C 3 32  ? 37.313 -10.917 -6.235  1.000 44.128  0 33  TYR FFF CG  1 ? 9  
ATOM   2788 C CD1 . TYR C 3 32  ? 36.023 -11.061 -6.718  1.000 45.556  0 33  TYR FFF CD1 1 ? 9  
ATOM   2789 C CD2 . TYR C 3 32  ? 37.942 -12.041 -5.724  1.000 45.545  0 33  TYR FFF CD2 1 ? 9  
ATOM   2790 C CE1 . TYR C 3 32  ? 35.362 -12.276 -6.678  1.000 46.801  0 33  TYR FFF CE1 1 ? 9  
ATOM   2791 C CE2 . TYR C 3 32  ? 37.294 -13.268 -5.672  1.000 46.925  0 33  TYR FFF CE2 1 ? 9  
ATOM   2792 C CZ  . TYR C 3 32  ? 35.999 -13.385 -6.153  1.000 47.585  0 33  TYR FFF CZ  1 ? 9  
ATOM   2793 O OH  . TYR C 3 32  ? 35.331 -14.575 -6.117  1.000 48.513  0 33  TYR FFF OH  1 ? 9  
ATOM   2794 N N   . ARG C 3 33  ? 37.777 -6.659  -7.708  1.000 41.664  0 34  ARG FFF N   1 ? 9  
ATOM   2795 C CA  . ARG C 3 33  ? 38.170 -5.244  -7.472  1.000 42.126  0 34  ARG FFF CA  1 ? 9  
ATOM   2796 C C   . ARG C 3 33  ? 38.903 -5.131  -6.125  1.000 42.892  0 34  ARG FFF C   1 ? 9  
ATOM   2797 O O   . ARG C 3 33  ? 38.582 -5.882  -5.168  1.000 43.437  0 34  ARG FFF O   1 ? 9  
ATOM   2798 C CB  . ARG C 3 33  ? 36.944 -4.328  -7.558  1.000 42.559  0 34  ARG FFF CB  1 ? 9  
ATOM   2799 C CG  . ARG C 3 33  ? 35.890 -4.546  -6.481  1.000 43.011  0 34  ARG FFF CG  1 ? 9  
ATOM   2800 C CD  . ARG C 3 33  ? 34.560 -3.919  -6.859  1.000 43.847  0 34  ARG FFF CD  1 ? 9  
ATOM   2801 N NE  . ARG C 3 33  ? 33.644 -3.810  -5.734  1.000 45.143  0 34  ARG FFF NE  1 ? 9  
ATOM   2802 C CZ  . ARG C 3 33  ? 32.707 -2.870  -5.580  1.000 46.417  0 34  ARG FFF CZ  1 ? 9  
ATOM   2803 N NH1 . ARG C 3 33  ? 32.531 -1.928  -6.496  1.000 46.181  0 34  ARG FFF NH1 1 ? 9  
ATOM   2804 N NH2 . ARG C 3 33  ? 31.950 -2.869  -4.493  1.000 47.412  0 34  ARG FFF NH2 1 ? 9  
ATOM   2805 N N   . VAL C 3 34  ? 39.886 -4.231  -6.066  1.000 43.482  0 35  VAL FFF N   1 ? 9  
ATOM   2806 C CA  . VAL C 3 34  ? 40.647 -3.884  -4.834  1.000 43.009  0 35  VAL FFF CA  1 ? 9  
ATOM   2807 C C   . VAL C 3 34  ? 40.726 -2.359  -4.774  1.000 43.923  0 35  VAL FFF C   1 ? 9  
ATOM   2808 O O   . VAL C 3 34  ? 40.813 -1.737  -5.848  1.000 42.842  0 35  VAL FFF O   1 ? 9  
ATOM   2809 C CB  . VAL C 3 34  ? 42.045 -4.531  -4.855  1.000 42.821  0 35  VAL FFF CB  1 ? 9  
ATOM   2810 C CG1 . VAL C 3 34  ? 42.770 -4.342  -3.535  1.000 43.406  0 35  VAL FFF CG1 1 ? 9  
ATOM   2811 C CG2 . VAL C 3 34  ? 41.983 -6.007  -5.241  1.000 42.428  0 35  VAL FFF CG2 1 ? 9  
ATOM   2812 N N   . ALA C 3 35  ? 40.692 -1.779  -3.572  1.000 43.554  0 36  ALA FFF N   1 ? 9  
ATOM   2813 C CA  . ALA C 3 35  ? 40.751 -0.315  -3.369  1.000 43.472  0 36  ALA FFF CA  1 ? 9  
ATOM   2814 C C   . ALA C 3 35  ? 41.794 0.026   -2.308  1.000 43.270  0 36  ALA FFF C   1 ? 9  
ATOM   2815 O O   . ALA C 3 35  ? 42.020 -0.794  -1.398  1.000 42.879  0 36  ALA FFF O   1 ? 9  
ATOM   2816 C CB  . ALA C 3 35  ? 39.392 0.207   -2.987  1.000 44.305  0 36  ALA FFF CB  1 ? 9  
ATOM   2817 N N   . TRP C 3 36  ? 42.402 1.205   -2.442  1.000 43.513  0 37  TRP FFF N   1 ? 9  
ATOM   2818 C CA  . TRP C 3 36  ? 43.137 1.891   -1.352  1.000 44.154  0 37  TRP FFF CA  1 ? 9  
ATOM   2819 C C   . TRP C 3 36  ? 42.213 2.931   -0.715  1.000 46.106  0 37  TRP FFF C   1 ? 9  
ATOM   2820 O O   . TRP C 3 36  ? 41.577 3.719   -1.468  1.000 46.389  0 37  TRP FFF O   1 ? 9  
ATOM   2821 C CB  . TRP C 3 36  ? 44.422 2.544   -1.861  1.000 44.403  0 37  TRP FFF CB  1 ? 9  
ATOM   2822 C CG  . TRP C 3 36  ? 45.498 1.575   -2.220  1.000 44.906  0 37  TRP FFF CG  1 ? 9  
ATOM   2823 C CD1 . TRP C 3 36  ? 45.795 1.103   -3.466  1.000 44.777  0 37  TRP FFF CD1 1 ? 9  
ATOM   2824 C CD2 . TRP C 3 36  ? 46.427 0.951   -1.315  1.000 45.270  0 37  TRP FFF CD2 1 ? 9  
ATOM   2825 N NE1 . TRP C 3 36  ? 46.850 0.231   -3.401  1.000 45.496  0 37  TRP FFF NE1 1 ? 9  
ATOM   2826 C CE2 . TRP C 3 36  ? 47.266 0.125   -2.096  1.000 44.820  0 37  TRP FFF CE2 1 ? 9  
ATOM   2827 C CE3 . TRP C 3 36  ? 46.646 1.025   0.067   1.000 46.049  0 37  TRP FFF CE3 1 ? 9  
ATOM   2828 C CZ2 . TRP C 3 36  ? 48.288 -0.639  -1.530  1.000 46.050  0 37  TRP FFF CZ2 1 ? 9  
ATOM   2829 C CZ3 . TRP C 3 36  ? 47.661 0.274   0.624   1.000 46.421  0 37  TRP FFF CZ3 1 ? 9  
ATOM   2830 C CH2 . TRP C 3 36  ? 48.468 -0.548  -0.166  1.000 45.982  0 37  TRP FFF CH2 1 ? 9  
ATOM   2831 N N   . PHE C 3 37  ? 42.164 2.940   0.621   1.000 46.026  0 38  PHE FFF N   1 ? 9  
ATOM   2832 C CA  . PHE C 3 37  ? 41.508 3.983   1.443   1.000 47.286  0 38  PHE FFF CA  1 ? 9  
ATOM   2833 C C   . PHE C 3 37  ? 42.567 4.639   2.333   1.000 48.144  0 38  PHE FFF C   1 ? 9  
ATOM   2834 O O   . PHE C 3 37  ? 43.690 4.110   2.446   1.000 46.536  0 38  PHE FFF O   1 ? 9  
ATOM   2835 C CB  . PHE C 3 37  ? 40.403 3.372   2.304   1.000 49.414  0 38  PHE FFF CB  1 ? 9  
ATOM   2836 C CG  . PHE C 3 37  ? 39.163 2.920   1.576   1.000 49.490  0 38  PHE FFF CG  1 ? 9  
ATOM   2837 C CD1 . PHE C 3 37  ? 39.140 1.719   0.875   1.000 48.678  0 38  PHE FFF CD1 1 ? 9  
ATOM   2838 C CD2 . PHE C 3 37  ? 37.995 3.669   1.643   1.000 51.211  0 38  PHE FFF CD2 1 ? 9  
ATOM   2839 C CE1 . PHE C 3 37  ? 37.981 1.289   0.248   1.000 48.637  0 38  PHE FFF CE1 1 ? 9  
ATOM   2840 C CE2 . PHE C 3 37  ? 36.840 3.239   1.006   1.000 51.514  0 38  PHE FFF CE2 1 ? 9  
ATOM   2841 C CZ  . PHE C 3 37  ? 36.834 2.049   0.312   1.000 50.121  0 38  PHE FFF CZ  1 ? 9  
ATOM   2842 N N   . ARG C 3 38  ? 42.226 5.771   2.956   1.000 49.915  0 39  ARG FFF N   1 ? 9  
ATOM   2843 C CA  . ARG C 3 38  ? 43.087 6.386   3.995   1.000 50.892  0 39  ARG FFF CA  1 ? 9  
ATOM   2844 C C   . ARG C 3 38  ? 42.211 7.078   5.036   1.000 53.652  0 39  ARG FFF C   1 ? 9  
ATOM   2845 O O   . ARG C 3 38  ? 41.093 7.510   4.697   1.000 54.053  0 39  ARG FFF O   1 ? 9  
ATOM   2846 C CB  . ARG C 3 38  ? 44.115 7.339   3.383   1.000 49.653  0 39  ARG FFF CB  1 ? 9  
ATOM   2847 C CG  . ARG C 3 38  ? 43.520 8.603   2.787   1.000 50.360  0 39  ARG FFF CG  1 ? 9  
ATOM   2848 C CD  . ARG C 3 38  ? 44.598 9.413   2.098   1.000 50.577  0 39  ARG FFF CD  1 ? 9  
ATOM   2849 N NE  . ARG C 3 38  ? 44.055 10.574  1.406   1.000 52.236  0 39  ARG FFF NE  1 ? 9  
ATOM   2850 C CZ  . ARG C 3 38  ? 44.741 11.350  0.565   1.000 53.702  0 39  ARG FFF CZ  1 ? 9  
ATOM   2851 N NH1 . ARG C 3 38  ? 46.016 11.104  0.300   1.000 53.064  0 39  ARG FFF NH1 1 ? 9  
ATOM   2852 N NH2 . ARG C 3 38  ? 44.141 12.373  -0.019  1.000 55.668  0 39  ARG FFF NH2 1 ? 9  
ATOM   2853 N N   . GLN C 3 39  ? 42.723 7.131   6.262   1.000 56.521  0 40  GLN FFF N   1 ? 9  
ATOM   2854 C CA  . GLN C 3 39  ? 42.073 7.753   7.444   1.000 61.029  0 40  GLN FFF CA  1 ? 9  
ATOM   2855 C C   . GLN C 3 39  ? 43.157 8.468   8.257   1.000 62.277  0 40  GLN FFF C   1 ? 9  
ATOM   2856 O O   . GLN C 3 39  ? 44.125 7.794   8.652   1.000 59.427  0 40  GLN FFF O   1 ? 9  
ATOM   2857 C CB  . GLN C 3 39  ? 41.351 6.680   8.265   1.000 64.092  0 40  GLN FFF CB  1 ? 9  
ATOM   2858 C CG  . GLN C 3 39  ? 40.756 7.193   9.567   1.000 69.175  0 40  GLN FFF CG  1 ? 9  
ATOM   2859 C CD  . GLN C 3 39  ? 39.638 6.321   10.088  1.000 72.912  0 40  GLN FFF CD  1 ? 9  
ATOM   2860 O OE1 . GLN C 3 39  ? 39.645 5.101   9.932   1.000 73.856  0 40  GLN FFF OE1 1 ? 9  
ATOM   2861 N NE2 . GLN C 3 39  ? 38.658 6.950   10.722  1.000 76.999  0 40  GLN FFF NE2 1 ? 9  
ATOM   2862 N N   . ALA C 3 40  ? 43.019 9.786   8.439   1.000 66.355  0 41  ALA FFF N   1 ? 9  
ATOM   2863 C CA  . ALA C 3 40  ? 43.776 10.597  9.422   1.000 69.355  0 41  ALA FFF CA  1 ? 9  
ATOM   2864 C C   . ALA C 3 40  ? 42.980 10.597  10.721  1.000 74.483  0 41  ALA FFF C   1 ? 9  
ATOM   2865 O O   . ALA C 3 40  ? 41.751 10.574  10.679  1.000 75.702  0 41  ALA FFF O   1 ? 9  
ATOM   2866 C CB  . ALA C 3 40  ? 43.997 11.997  8.907   1.000 68.681  0 41  ALA FFF CB  1 ? 9  
ATOM   2867 N N   . PRO C 3 41  ? 43.636 10.612  11.904  1.000 78.829  0 42  PRO FFF N   1 ? 9  
ATOM   2868 C CA  . PRO C 3 41  ? 42.906 10.609  13.171  1.000 83.727  0 42  PRO FFF CA  1 ? 9  
ATOM   2869 C C   . PRO C 3 41  ? 41.976 11.831  13.231  1.000 88.730  0 42  PRO FFF C   1 ? 9  
ATOM   2870 O O   . PRO C 3 41  ? 42.407 12.909  12.842  1.000 89.121  0 42  PRO FFF O   1 ? 9  
ATOM   2871 C CB  . PRO C 3 41  ? 44.009 10.631  14.242  1.000 84.079  0 42  PRO FFF CB  1 ? 9  
ATOM   2872 C CG  . PRO C 3 41  ? 45.237 11.154  13.520  1.000 81.281  0 42  PRO FFF CG  1 ? 9  
ATOM   2873 C CD  . PRO C 3 41  ? 45.093 10.672  12.091  1.000 77.774  0 42  PRO FFF CD  1 ? 9  
ATOM   2874 N N   . GLY C 3 42  ? 40.722 11.623  13.655  1.000 85.202  0 43  GLY FFF N   1 ? 10 
ATOM   2875 C CA  . GLY C 3 42  ? 39.679 12.667  13.752  1.000 87.401  0 43  GLY FFF CA  1 ? 10 
ATOM   2876 C C   . GLY C 3 42  ? 38.759 12.674  12.540  1.000 89.203  0 43  GLY FFF C   1 ? 10 
ATOM   2877 O O   . GLY C 3 42  ? 37.543 12.881  12.727  1.000 89.924  0 43  GLY FFF O   1 ? 10 
ATOM   2878 N N   . LYS C 3 43  ? 39.319 12.462  11.342  1.000 90.040  0 44  LYS FFF N   1 ? 10 
ATOM   2879 C CA  . LYS C 3 43  ? 38.594 12.445  10.042  1.000 89.133  0 44  LYS FFF CA  1 ? 10 
ATOM   2880 C C   . LYS C 3 43  ? 38.229 11.000  9.681   1.000 87.068  0 44  LYS FFF C   1 ? 10 
ATOM   2881 O O   . LYS C 3 43  ? 39.048 10.103  9.947   1.000 87.115  0 44  LYS FFF O   1 ? 10 
ATOM   2882 C CB  . LYS C 3 43  ? 39.464 13.103  8.966   1.000 89.553  0 44  LYS FFF CB  1 ? 10 
ATOM   2883 C CG  . LYS C 3 43  ? 39.794 14.563  9.243   1.000 91.897  0 44  LYS FFF CG  1 ? 10 
ATOM   2884 C CD  . LYS C 3 43  ? 40.840 15.151  8.327   1.000 92.416  0 44  LYS FFF CD  1 ? 10 
ATOM   2885 C CE  . LYS C 3 43  ? 41.199 16.571  8.711   1.000 94.764  0 44  LYS FFF CE  1 ? 10 
ATOM   2886 N NZ  . LYS C 3 43  ? 42.143 17.179  7.746   1.000 96.200  0 44  LYS FFF NZ  1 ? 10 
ATOM   2887 N N   . GLU C 3 44  ? 37.045 10.789  9.096   1.000 85.028  0 45  GLU FFF N   1 ? 10 
ATOM   2888 C CA  . GLU C 3 44  ? 36.516 9.444   8.734   1.000 84.811  0 45  GLU FFF CA  1 ? 10 
ATOM   2889 C C   . GLU C 3 44  ? 37.337 8.857   7.579   1.000 78.387  0 45  GLU FFF C   1 ? 10 
ATOM   2890 O O   . GLU C 3 44  ? 38.136 9.601   6.968   1.000 75.876  0 45  GLU FFF O   1 ? 10 
ATOM   2891 C CB  . GLU C 3 44  ? 35.036 9.507   8.342   1.000 89.420  0 45  GLU FFF CB  1 ? 10 
ATOM   2892 C CG  . GLU C 3 44  ? 34.098 9.744   9.516   1.000 95.020  0 45  GLU FFF CG  1 ? 10 
ATOM   2893 C CD  . GLU C 3 44  ? 33.922 11.200  9.912   1.000 101.237 0 45  GLU FFF CD  1 ? 10 
ATOM   2894 O OE1 . GLU C 3 44  ? 33.632 12.023  9.018   1.000 105.560 0 45  GLU FFF OE1 1 ? 10 
ATOM   2895 O OE2 . GLU C 3 44  ? 34.081 11.510  11.112  1.000 105.076 0 45  GLU FFF OE2 1 ? 10 
ATOM   2896 N N   . ARG C 3 45  ? 37.151 7.562   7.313   1.000 74.118  0 46  ARG FFF N   1 ? 10 
ATOM   2897 C CA  . ARG C 3 45  ? 37.739 6.842   6.150   1.000 72.199  0 46  ARG FFF CA  1 ? 10 
ATOM   2898 C C   . ARG C 3 45  ? 37.308 7.529   4.851   1.000 68.317  0 46  ARG FFF C   1 ? 10 
ATOM   2899 O O   . ARG C 3 45  ? 36.144 7.971   4.775   1.000 69.679  0 46  ARG FFF O   1 ? 10 
ATOM   2900 C CB  . ARG C 3 45  ? 37.292 5.378   6.119   1.000 72.831  0 46  ARG FFF CB  1 ? 10 
ATOM   2901 C CG  . ARG C 3 45  ? 38.421 4.387   6.351   1.000 75.344  0 46  ARG FFF CG  1 ? 10 
ATOM   2902 C CD  . ARG C 3 45  ? 37.896 3.000   6.659   1.000 77.496  0 46  ARG FFF CD  1 ? 10 
ATOM   2903 N NE  . ARG C 3 45  ? 38.968 2.127   7.115   1.000 79.858  0 46  ARG FFF NE  1 ? 10 
ATOM   2904 C CZ  . ARG C 3 45  ? 38.797 0.932   7.676   1.000 81.946  0 46  ARG FFF CZ  1 ? 10 
ATOM   2905 N NH1 . ARG C 3 45  ? 37.581 0.442   7.861   1.000 83.251  0 46  ARG FFF NH1 1 ? 10 
ATOM   2906 N NH2 . ARG C 3 45  ? 39.851 0.229   8.054   1.000 83.273  0 46  ARG FFF NH2 1 ? 10 
ATOM   2907 N N   . GLU C 3 46  ? 38.214 7.613   3.875   1.000 63.452  0 47  GLU FFF N   1 ? 10 
ATOM   2908 C CA  . GLU C 3 46  ? 37.888 8.049   2.491   1.000 61.743  0 47  GLU FFF CA  1 ? 10 
ATOM   2909 C C   . GLU C 3 46  ? 38.668 7.196   1.482   1.000 58.742  0 47  GLU FFF C   1 ? 10 
ATOM   2910 O O   . GLU C 3 46  ? 39.812 6.793   1.774   1.000 57.064  0 47  GLU FFF O   1 ? 10 
ATOM   2911 C CB  . GLU C 3 46  ? 38.165 9.541   2.304   1.000 62.695  0 47  GLU FFF CB  1 ? 10 
ATOM   2912 C CG  . GLU C 3 46  ? 39.633 9.914   2.395   1.000 63.383  0 47  GLU FFF CG  1 ? 10 
ATOM   2913 C CD  . GLU C 3 46  ? 40.028 11.119  1.560   1.000 66.352  0 47  GLU FFF CD  1 ? 10 
ATOM   2914 O OE1 . GLU C 3 46  ? 39.136 11.710  0.909   1.000 69.063  0 47  GLU FFF OE1 1 ? 10 
ATOM   2915 O OE2 . GLU C 3 46  ? 41.226 11.461  1.560   1.000 65.540  0 47  GLU FFF OE2 1 ? 10 
ATOM   2916 N N   . GLY C 3 47  ? 38.056 6.945   0.326   1.000 51.106  0 48  GLY FFF N   1 ? 11 
ATOM   2917 C CA  . GLY C 3 47  ? 38.672 6.214   -0.796  1.000 47.732  0 48  GLY FFF CA  1 ? 11 
ATOM   2918 C C   . GLY C 3 47  ? 39.807 7.003   -1.422  1.000 47.366  0 48  GLY FFF C   1 ? 11 
ATOM   2919 O O   . GLY C 3 47  ? 39.679 8.233   -1.560  1.000 49.875  0 48  GLY FFF O   1 ? 11 
ATOM   2920 N N   . VAL C 3 48  ? 40.900 6.327   -1.775  1.000 46.274  0 49  VAL FFF N   1 ? 11 
ATOM   2921 C CA  . VAL C 3 48  ? 42.032 6.932   -2.538  1.000 45.214  0 49  VAL FFF CA  1 ? 11 
ATOM   2922 C C   . VAL C 3 48  ? 41.925 6.466   -3.994  1.000 43.592  0 49  VAL FFF C   1 ? 11 
ATOM   2923 O O   . VAL C 3 48  ? 41.936 7.322   -4.915  1.000 42.777  0 49  VAL FFF O   1 ? 11 
ATOM   2924 C CB  . VAL C 3 48  ? 43.393 6.573   -1.909  1.000 45.587  0 49  VAL FFF CB  1 ? 11 
ATOM   2925 C CG1 . VAL C 3 48  ? 44.564 7.055   -2.758  1.000 45.105  0 49  VAL FFF CG1 1 ? 11 
ATOM   2926 C CG2 . VAL C 3 48  ? 43.508 7.131   -0.491  1.000 46.583  0 49  VAL FFF CG2 1 ? 11 
ATOM   2927 N N   . SER C 3 49  ? 41.835 5.157   -4.208  1.000 43.413  0 50  SER FFF N   1 ? 11 
ATOM   2928 C CA  . SER C 3 49  ? 41.897 4.567   -5.569  1.000 41.796  0 50  SER FFF CA  1 ? 11 
ATOM   2929 C C   . SER C 3 49  ? 41.225 3.190   -5.587  1.000 41.570  0 50  SER FFF C   1 ? 11 
ATOM   2930 O O   . SER C 3 49  ? 41.150 2.553   -4.534  1.000 40.936  0 50  SER FFF O   1 ? 11 
ATOM   2931 C CB  . SER C 3 49  ? 43.324 4.523   -6.050  1.000 41.655  0 50  SER FFF CB  1 ? 11 
ATOM   2932 O OG  . SER C 3 49  ? 44.106 3.646   -5.258  1.000 42.687  0 50  SER FFF OG  1 ? 11 
ATOM   2933 N N   . CYS C 3 50  ? 40.745 2.759   -6.755  1.000 40.436  0 51  CYS FFF N   1 ? 11 
ATOM   2934 C CA  . CYS C 3 50  ? 40.069 1.446   -6.934  1.000 40.524  0 51  CYS FFF CA  1 ? 11 
ATOM   2935 C C   . CYS C 3 50  ? 40.497 0.865   -8.290  1.000 39.439  0 51  CYS FFF C   1 ? 11 
ATOM   2936 O O   . CYS C 3 50  ? 40.528 1.623   -9.264  1.000 37.009  0 51  CYS FFF O   1 ? 11 
ATOM   2937 C CB  . CYS C 3 50  ? 38.557 1.616   -6.807  1.000 40.854  0 51  CYS FFF CB  1 ? 11 
ATOM   2938 S SG  . CYS C 3 50  ? 37.627 0.062   -6.732  1.000 41.383  0 51  CYS FFF SG  1 ? 11 
ATOM   2939 N N   . ILE C 3 51  ? 40.895 -0.407  -8.322  1.000 39.716  0 52  ILE FFF N   1 ? 11 
ATOM   2940 C CA  . ILE C 3 51  ? 41.245 -1.130  -9.582  1.000 40.284  0 52  ILE FFF CA  1 ? 11 
ATOM   2941 C C   . ILE C 3 51  ? 40.289 -2.315  -9.735  1.000 39.517  0 52  ILE FFF C   1 ? 11 
ATOM   2942 O O   . ILE C 3 51  ? 39.987 -2.967  -8.735  1.000 40.447  0 52  ILE FFF O   1 ? 11 
ATOM   2943 C CB  . ILE C 3 51  ? 42.726 -1.561  -9.614  1.000 41.498  0 52  ILE FFF CB  1 ? 11 
ATOM   2944 C CG1 . ILE C 3 51  ? 43.175 -1.911  -11.037 1.000 40.712  0 52  ILE FFF CG1 1 ? 11 
ATOM   2945 C CG2 . ILE C 3 51  ? 42.988 -2.706  -8.659  1.000 43.119  0 52  ILE FFF CG2 1 ? 11 
ATOM   2946 C CD1 . ILE C 3 51  ? 44.664 -2.112  -11.184 1.000 40.889  0 52  ILE FFF CD1 1 ? 11 
ATOM   2947 N N   . SER C 3 52  ? 39.819 -2.548  -10.960 1.000 37.346  0 53  SER FFF N   1 ? 11 
ATOM   2948 C CA  . SER C 3 52  ? 38.813 -3.579  -11.321 1.000 36.064  0 53  SER FFF CA  1 ? 11 
ATOM   2949 C C   . SER C 3 52  ? 39.545 -4.844  -11.792 1.000 36.549  0 53  SER FFF C   1 ? 11 
ATOM   2950 O O   . SER C 3 52  ? 40.789 -4.803  -11.955 1.000 36.004  0 53  SER FFF O   1 ? 11 
ATOM   2951 C CB  . SER C 3 52  ? 37.853 -3.038  -12.378 1.000 34.573  0 53  SER FFF CB  1 ? 11 
ATOM   2952 O OG  . SER C 3 52  ? 37.142 -1.906  -11.883 1.000 33.881  0 53  SER FFF OG  1 ? 11 
ATOM   2953 N N   . ARG C 3 53  ? 38.812 -5.926  -12.025 1.000 36.783  0 54  ARG FFF N   1 ? 11 
ATOM   2954 C CA  . ARG C 3 53  ? 39.431 -7.229  -12.392 1.000 38.547  0 54  ARG FFF CA  1 ? 11 
ATOM   2955 C C   . ARG C 3 53  ? 40.099 -7.143  -13.774 1.000 37.780  0 54  ARG FFF C   1 ? 11 
ATOM   2956 O O   . ARG C 3 53  ? 41.034 -7.920  -14.013 1.000 38.252  0 54  ARG FFF O   1 ? 11 
ATOM   2957 C CB  . ARG C 3 53  ? 38.386 -8.341  -12.330 1.000 40.580  0 54  ARG FFF CB  1 ? 11 
ATOM   2958 C CG  . ARG C 3 53  ? 37.376 -8.316  -13.463 1.000 40.817  0 54  ARG FFF CG  1 ? 11 
ATOM   2959 C CD  . ARG C 3 53  ? 36.333 -9.364  -13.186 1.000 42.872  0 54  ARG FFF CD  1 ? 11 
ATOM   2960 N NE  . ARG C 3 53  ? 35.501 -9.616  -14.343 1.000 42.679  0 54  ARG FFF NE  1 ? 11 
ATOM   2961 C CZ  . ARG C 3 53  ? 34.468 -10.454 -14.355 1.000 44.960  0 54  ARG FFF CZ  1 ? 11 
ATOM   2962 N NH1 . ARG C 3 53  ? 34.116 -11.093 -13.246 1.000 46.549  0 54  ARG FFF NH1 1 ? 11 
ATOM   2963 N NH2 . ARG C 3 53  ? 33.758 -10.604 -15.463 1.000 42.478  0 54  ARG FFF NH2 1 ? 11 
ATOM   2964 N N   . ASP C 3 54  ? 39.661 -6.238  -14.653 1.000 37.033  0 55  ASP FFF N   1 ? 11 
ATOM   2965 C CA  . ASP C 3 54  ? 40.237 -6.101  -16.022 1.000 36.961  0 55  ASP FFF CA  1 ? 11 
ATOM   2966 C C   . ASP C 3 54  ? 41.495 -5.214  -15.998 1.000 36.589  0 55  ASP FFF C   1 ? 11 
ATOM   2967 O O   . ASP C 3 54  ? 42.156 -5.135  -17.035 1.000 35.869  0 55  ASP FFF O   1 ? 11 
ATOM   2968 C CB  . ASP C 3 54  ? 39.202 -5.599  -17.040 1.000 36.696  0 55  ASP FFF CB  1 ? 11 
ATOM   2969 C CG  . ASP C 3 54  ? 38.673 -4.196  -16.800 1.000 36.551  0 55  ASP FFF CG  1 ? 11 
ATOM   2970 O OD1 . ASP C 3 54  ? 38.832 -3.682  -15.665 1.000 36.366  0 55  ASP FFF OD1 1 ? 11 
ATOM   2971 O OD2 . ASP C 3 54  ? 38.103 -3.619  -17.752 1.000 35.433  0 55  ASP FFF OD2 1 ? 11 
ATOM   2972 N N   . ALA C 3 55  ? 41.804 -4.552  -14.877 1.000 36.623  0 56  ALA FFF N   1 ? 11 
ATOM   2973 C CA  . ALA C 3 55  ? 43.004 -3.691  -14.709 1.000 37.125  0 56  ALA FFF CA  1 ? 11 
ATOM   2974 C C   . ALA C 3 55  ? 43.146 -2.748  -15.910 1.000 36.971  0 56  ALA FFF C   1 ? 11 
ATOM   2975 O O   . ALA C 3 55  ? 44.263 -2.599  -16.424 1.000 38.540  0 56  ALA FFF O   1 ? 11 
ATOM   2976 C CB  . ALA C 3 55  ? 44.249 -4.538  -14.534 1.000 39.385  0 56  ALA FFF CB  1 ? 11 
ATOM   2977 N N   . HIS C 3 56  ? 42.043 -2.164  -16.366 1.000 34.995  0 57  HIS FFF N   1 ? 11 
ATOM   2978 C CA  . HIS C 3 56  ? 42.034 -1.207  -17.498 1.000 34.202  0 57  HIS FFF CA  1 ? 11 
ATOM   2979 C C   . HIS C 3 56  ? 42.025 0.210   -16.919 1.000 34.053  0 57  HIS FFF C   1 ? 11 
ATOM   2980 O O   . HIS C 3 56  ? 41.404 0.459   -15.885 1.000 33.986  0 57  HIS FFF O   1 ? 11 
ATOM   2981 C CB  . HIS C 3 56  ? 40.860 -1.490  -18.432 1.000 32.930  0 57  HIS FFF CB  1 ? 11 
ATOM   2982 C CG  . HIS C 3 56  ? 41.056 -0.838  -19.756 1.000 32.455  0 57  HIS FFF CG  1 ? 11 
ATOM   2983 N ND1 . HIS C 3 56  ? 40.597 0.439   -20.035 1.000 31.992  0 57  HIS FFF ND1 1 ? 11 
ATOM   2984 C CD2 . HIS C 3 56  ? 41.758 -1.234  -20.837 1.000 32.763  0 57  HIS FFF CD2 1 ? 11 
ATOM   2985 C CE1 . HIS C 3 56  ? 40.946 0.761   -21.263 1.000 32.285  0 57  HIS FFF CE1 1 ? 11 
ATOM   2986 N NE2 . HIS C 3 56  ? 41.684 -0.234  -21.761 1.000 32.467  0 57  HIS FFF NE2 1 ? 11 
ATOM   2987 N N   . PRO C 3 57  ? 42.749 1.174   -17.521 1.000 35.418  0 58  PRO FFF N   1 ? 11 
ATOM   2988 C CA  . PRO C 3 57  ? 42.715 2.557   -17.032 1.000 35.941  0 58  PRO FFF CA  1 ? 11 
ATOM   2989 C C   . PRO C 3 57  ? 41.282 3.102   -16.880 1.000 35.713  0 58  PRO FFF C   1 ? 11 
ATOM   2990 O O   . PRO C 3 57  ? 41.063 3.904   -15.991 1.000 35.729  0 58  PRO FFF O   1 ? 11 
ATOM   2991 C CB  . PRO C 3 57  ? 43.489 3.358   -18.089 1.000 36.812  0 58  PRO FFF CB  1 ? 11 
ATOM   2992 C CG  . PRO C 3 57  ? 44.358 2.330   -18.801 1.000 37.266  0 58  PRO FFF CG  1 ? 11 
ATOM   2993 C CD  . PRO C 3 57  ? 43.657 0.993   -18.665 1.000 35.796  0 58  PRO FFF CD  1 ? 11 
ATOM   2994 N N   . THR C 3 58  ? 40.340 2.678   -17.735 1.000 35.737  0 59  THR FFF N   1 ? 11 
ATOM   2995 C CA  . THR C 3 58  ? 38.942 3.206   -17.752 1.000 36.122  0 59  THR FFF CA  1 ? 11 
ATOM   2996 C C   . THR C 3 58  ? 38.126 2.658   -16.563 1.000 36.188  0 59  THR FFF C   1 ? 11 
ATOM   2997 O O   . THR C 3 58  ? 37.098 3.281   -16.211 1.000 38.428  0 59  THR FFF O   1 ? 11 
ATOM   2998 C CB  . THR C 3 58  ? 38.222 2.902   -19.071 1.000 35.473  0 59  THR FFF CB  1 ? 11 
ATOM   2999 O OG1 . THR C 3 58  ? 38.100 1.479   -19.178 1.000 33.829  0 59  THR FFF OG1 1 ? 11 
ATOM   3000 C CG2 . THR C 3 58  ? 38.924 3.493   -20.278 1.000 35.631  0 59  THR FFF CG2 1 ? 11 
ATOM   3001 N N   . SER C 3 59  ? 38.550 1.558   -15.936 1.000 35.588  0 60  SER FFF N   1 ? 11 
ATOM   3002 C CA  . SER C 3 59  ? 37.845 0.952   -14.778 1.000 34.898  0 60  SER FFF CA  1 ? 11 
ATOM   3003 C C   . SER C 3 59  ? 38.683 1.134   -13.507 1.000 36.478  0 60  SER FFF C   1 ? 11 
ATOM   3004 O O   . SER C 3 59  ? 38.355 0.498   -12.494 1.000 34.605  0 60  SER FFF O   1 ? 11 
ATOM   3005 C CB  . SER C 3 59  ? 37.564 -0.500  -15.031 1.000 35.077  0 60  SER FFF CB  1 ? 11 
ATOM   3006 O OG  . SER C 3 59  ? 38.770 -1.177  -15.319 1.000 35.092  0 60  SER FFF OG  1 ? 11 
ATOM   3007 N N   . THR C 3 60  ? 39.736 1.951   -13.580 1.000 37.067  0 61  THR FFF N   1 ? 11 
ATOM   3008 C CA  . THR C 3 60  ? 40.599 2.325   -12.429 1.000 37.895  0 61  THR FFF CA  1 ? 11 
ATOM   3009 C C   . THR C 3 60  ? 40.236 3.755   -12.037 1.000 38.741  0 61  THR FFF C   1 ? 11 
ATOM   3010 O O   . THR C 3 60  ? 40.228 4.603   -12.928 1.000 38.918  0 61  THR FFF O   1 ? 11 
ATOM   3011 C CB  . THR C 3 60  ? 42.082 2.195   -12.795 1.000 38.362  0 61  THR FFF CB  1 ? 11 
ATOM   3012 O OG1 . THR C 3 60  ? 42.272 0.895   -13.360 1.000 37.927  0 61  THR FFF OG1 1 ? 11 
ATOM   3013 C CG2 . THR C 3 60  ? 43.000 2.408   -11.613 1.000 38.749  0 61  THR FFF CG2 1 ? 11 
ATOM   3014 N N   . TYR C 3 61  ? 39.937 4.001   -10.763 1.000 39.894  0 62  TYR FFF N   1 ? 11 
ATOM   3015 C CA  . TYR C 3 61  ? 39.417 5.304   -10.274 1.000 40.281  0 62  TYR FFF CA  1 ? 11 
ATOM   3016 C C   . TYR C 3 61  ? 40.339 5.874   -9.189  1.000 42.090  0 62  TYR FFF C   1 ? 11 
ATOM   3017 O O   . TYR C 3 61  ? 40.965 5.099   -8.427  1.000 40.770  0 62  TYR FFF O   1 ? 11 
ATOM   3018 C CB  . TYR C 3 61  ? 37.988 5.114   -9.760  1.000 40.455  0 62  TYR FFF CB  1 ? 11 
ATOM   3019 C CG  . TYR C 3 61  ? 36.996 4.729   -10.827 1.000 39.490  0 62  TYR FFF CG  1 ? 11 
ATOM   3020 C CD1 . TYR C 3 61  ? 36.373 5.705   -11.585 1.000 39.351  0 62  TYR FFF CD1 1 ? 11 
ATOM   3021 C CD2 . TYR C 3 61  ? 36.695 3.403   -11.103 1.000 37.698  0 62  TYR FFF CD2 1 ? 11 
ATOM   3022 C CE1 . TYR C 3 61  ? 35.467 5.384   -12.578 1.000 39.111  0 62  TYR FFF CE1 1 ? 11 
ATOM   3023 C CE2 . TYR C 3 61  ? 35.794 3.067   -12.105 1.000 37.664  0 62  TYR FFF CE2 1 ? 11 
ATOM   3024 C CZ  . TYR C 3 61  ? 35.173 4.061   -12.844 1.000 38.252  0 62  TYR FFF CZ  1 ? 11 
ATOM   3025 O OH  . TYR C 3 61  ? 34.273 3.793   -13.837 1.000 38.400  0 62  TYR FFF OH  1 ? 11 
ATOM   3026 N N   . TYR C 3 62  ? 40.403 7.207   -9.115  1.000 43.881  0 63  TYR FFF N   1 ? 11 
ATOM   3027 C CA  . TYR C 3 62  ? 41.178 7.970   -8.099  1.000 44.757  0 63  TYR FFF CA  1 ? 11 
ATOM   3028 C C   . TYR C 3 62  ? 40.329 9.117   -7.564  1.000 45.180  0 63  TYR FFF C   1 ? 11 
ATOM   3029 O O   . TYR C 3 62  ? 39.622 9.756   -8.362  1.000 45.607  0 63  TYR FFF O   1 ? 11 
ATOM   3030 C CB  . TYR C 3 62  ? 42.454 8.562   -8.702  1.000 44.945  0 63  TYR FFF CB  1 ? 11 
ATOM   3031 C CG  . TYR C 3 62  ? 43.361 7.523   -9.297  1.000 43.468  0 63  TYR FFF CG  1 ? 11 
ATOM   3032 C CD1 . TYR C 3 62  ? 44.291 6.858   -8.513  1.000 43.825  0 63  TYR FFF CD1 1 ? 11 
ATOM   3033 C CD2 . TYR C 3 62  ? 43.241 7.167   -10.626 1.000 43.408  0 63  TYR FFF CD2 1 ? 11 
ATOM   3034 C CE1 . TYR C 3 62  ? 45.109 5.882   -9.050  1.000 44.078  0 63  TYR FFF CE1 1 ? 11 
ATOM   3035 C CE2 . TYR C 3 62  ? 44.041 6.184   -11.178 1.000 43.101  0 63  TYR FFF CE2 1 ? 11 
ATOM   3036 C CZ  . TYR C 3 62  ? 44.976 5.546   -10.387 1.000 42.687  0 63  TYR FFF CZ  1 ? 11 
ATOM   3037 O OH  . TYR C 3 62  ? 45.773 4.595   -10.924 1.000 43.173  0 63  TYR FFF OH  1 ? 11 
ATOM   3038 N N   . THR C 3 63  ? 40.443 9.396   -6.267  1.000 47.140  0 64  THR FFF N   1 ? 11 
ATOM   3039 C CA  A THR C 3 63  ? 39.832 10.583  -5.613  0.500 47.965  0 64  THR FFF CA  1 ? 11 
ATOM   3040 C CA  B THR C 3 63  ? 39.783 10.581  -5.664  0.500 48.929  0 64  THR FFF CA  1 ? 11 
ATOM   3041 C C   . THR C 3 63  ? 40.498 11.839  -6.178  1.000 49.382  0 64  THR FFF C   1 ? 11 
ATOM   3042 O O   . THR C 3 63  ? 41.675 11.740  -6.574  1.000 48.467  0 64  THR FFF O   1 ? 11 
ATOM   3043 C CB  A THR C 3 63  ? 39.977 10.536  -4.087  0.500 48.475  0 64  THR FFF CB  1 ? 11 
ATOM   3044 C CB  B THR C 3 63  ? 39.667 10.405  -4.148  0.500 50.532  0 64  THR FFF CB  1 ? 11 
ATOM   3045 O OG1 A THR C 3 63  ? 39.093 11.517  -3.542  0.500 47.824  0 64  THR FFF OG1 1 ? 11 
ATOM   3046 O OG1 B THR C 3 63  ? 40.975 10.190  -3.617  0.500 51.334  0 64  THR FFF OG1 1 ? 11 
ATOM   3047 C CG2 A THR C 3 63  ? 41.392 10.790  -3.614  0.500 48.672  0 64  THR FFF CG2 1 ? 11 
ATOM   3048 C CG2 B THR C 3 63  ? 38.747 9.251   -3.809  0.500 49.927  0 64  THR FFF CG2 1 ? 11 
ATOM   3049 N N   . ALA C 3 64  ? 39.775 12.953  -6.209  1.000 51.032  0 65  ALA FFF N   1 ? 11 
ATOM   3050 C CA  . ALA C 3 64  ? 40.214 14.230  -6.821  1.000 53.709  0 65  ALA FFF CA  1 ? 11 
ATOM   3051 C C   . ALA C 3 64  ? 41.617 14.626  -6.328  1.000 53.382  0 65  ALA FFF C   1 ? 11 
ATOM   3052 O O   . ALA C 3 64  ? 42.425 15.097  -7.165  1.000 54.347  0 65  ALA FFF O   1 ? 11 
ATOM   3053 C CB  . ALA C 3 64  ? 39.190 15.307  -6.553  1.000 54.459  0 65  ALA FFF CB  1 ? 11 
ATOM   3054 N N   . SER C 3 65  ? 41.923 14.422  -5.043  1.000 53.176  0 66  SER FFF N   1 ? 11 
ATOM   3055 C CA  . SER C 3 65  ? 43.126 15.003  -4.387  1.000 53.871  0 66  SER FFF CA  1 ? 11 
ATOM   3056 C C   . SER C 3 65  ? 44.412 14.318  -4.877  1.000 52.747  0 66  SER FFF C   1 ? 11 
ATOM   3057 O O   . SER C 3 65  ? 45.495 14.901  -4.674  1.000 50.435  0 66  SER FFF O   1 ? 11 
ATOM   3058 C CB  . SER C 3 65  ? 43.011 14.945  -2.885  1.000 54.460  0 66  SER FFF CB  1 ? 11 
ATOM   3059 O OG  . SER C 3 65  ? 42.917 13.604  -2.448  1.000 54.584  0 66  SER FFF OG  1 ? 11 
ATOM   3060 N N   . VAL C 3 66  ? 44.318 13.126  -5.477  1.000 50.209  0 67  VAL FFF N   1 ? 11 
ATOM   3061 C CA  . VAL C 3 66  ? 45.515 12.297  -5.817  1.000 51.908  0 67  VAL FFF CA  1 ? 11 
ATOM   3062 C C   . VAL C 3 66  ? 45.654 12.127  -7.335  1.000 53.284  0 67  VAL FFF C   1 ? 11 
ATOM   3063 O O   . VAL C 3 66  ? 46.712 11.627  -7.770  1.000 52.210  0 67  VAL FFF O   1 ? 11 
ATOM   3064 C CB  . VAL C 3 66  ? 45.465 10.936  -5.095  1.000 50.139  0 67  VAL FFF CB  1 ? 11 
ATOM   3065 C CG1 . VAL C 3 66  ? 45.189 11.115  -3.610  1.000 49.651  0 67  VAL FFF CG1 1 ? 11 
ATOM   3066 C CG2 . VAL C 3 66  ? 44.459 9.981   -5.720  1.000 49.026  0 67  VAL FFF CG2 1 ? 11 
ATOM   3067 N N   . LYS C 3 67  ? 44.632 12.500  -8.110  1.000 56.617  0 68  LYS FFF N   1 ? 11 
ATOM   3068 C CA  . LYS C 3 67  ? 44.641 12.386  -9.593  1.000 58.098  0 68  LYS FFF CA  1 ? 11 
ATOM   3069 C C   . LYS C 3 67  ? 45.898 13.091  -10.121 1.000 57.356  0 68  LYS FFF C   1 ? 11 
ATOM   3070 O O   . LYS C 3 67  ? 46.130 14.274  -9.771  1.000 57.046  0 68  LYS FFF O   1 ? 11 
ATOM   3071 C CB  . LYS C 3 67  ? 43.340 12.931  -10.196 1.000 63.397  0 68  LYS FFF CB  1 ? 11 
ATOM   3072 C CG  . LYS C 3 67  ? 42.138 12.001  -10.053 1.000 65.562  0 68  LYS FFF CG  1 ? 11 
ATOM   3073 C CD  . LYS C 3 67  ? 40.879 12.477  -10.759 1.000 70.140  0 68  LYS FFF CD  1 ? 11 
ATOM   3074 C CE  . LYS C 3 67  ? 40.719 11.874  -12.139 1.000 75.524  0 68  LYS FFF CE  1 ? 11 
ATOM   3075 N NZ  . LYS C 3 67  ? 39.591 12.478  -12.890 1.000 78.745  0 68  LYS FFF NZ  1 ? 11 
ATOM   3076 N N   . GLY C 3 68  ? 46.706 12.350  -10.886 1.000 55.488  0 69  GLY FFF N   1 ? 11 
ATOM   3077 C CA  . GLY C 3 68  ? 47.944 12.825  -11.532 1.000 56.641  0 69  GLY FFF CA  1 ? 11 
ATOM   3078 C C   . GLY C 3 68  ? 49.180 12.524  -10.703 1.000 57.126  0 69  GLY FFF C   1 ? 11 
ATOM   3079 O O   . GLY C 3 68  ? 50.293 12.652  -11.249 1.000 62.165  0 69  GLY FFF O   1 ? 11 
ATOM   3080 N N   . ARG C 3 69  ? 49.010 12.140  -9.433  1.000 53.657  0 70  ARG FFF N   1 ? 11 
ATOM   3081 C CA  . ARG C 3 69  ? 50.131 11.994  -8.470  1.000 51.668  0 70  ARG FFF CA  1 ? 11 
ATOM   3082 C C   . ARG C 3 69  ? 50.303 10.520  -8.094  1.000 49.224  0 70  ARG FFF C   1 ? 11 
ATOM   3083 O O   . ARG C 3 69  ? 51.470 10.094  -7.973  1.000 48.308  0 70  ARG FFF O   1 ? 11 
ATOM   3084 C CB  . ARG C 3 69  ? 49.889 12.892  -7.253  1.000 51.167  0 70  ARG FFF CB  1 ? 11 
ATOM   3085 C CG  . ARG C 3 69  ? 49.910 14.377  -7.592  1.000 52.403  0 70  ARG FFF CG  1 ? 11 
ATOM   3086 C CD  . ARG C 3 69  ? 50.031 15.270  -6.372  1.000 52.915  0 70  ARG FFF CD  1 ? 11 
ATOM   3087 N NE  . ARG C 3 69  ? 48.939 15.041  -5.432  1.000 51.937  0 70  ARG FFF NE  1 ? 11 
ATOM   3088 C CZ  . ARG C 3 69  ? 49.050 14.503  -4.215  1.000 51.482  0 70  ARG FFF CZ  1 ? 11 
ATOM   3089 N NH1 . ARG C 3 69  ? 50.222 14.122  -3.730  1.000 51.003  0 70  ARG FFF NH1 1 ? 11 
ATOM   3090 N NH2 . ARG C 3 69  ? 47.968 14.359  -3.475  1.000 51.541  0 70  ARG FFF NH2 1 ? 11 
ATOM   3091 N N   . PHE C 3 70  ? 49.195 9.793   -7.899  1.000 47.400  0 71  PHE FFF N   1 ? 11 
ATOM   3092 C CA  . PHE C 3 70  ? 49.181 8.371   -7.461  1.000 46.440  0 71  PHE FFF CA  1 ? 11 
ATOM   3093 C C   . PHE C 3 70  ? 48.764 7.471   -8.633  1.000 45.197  0 71  PHE FFF C   1 ? 11 
ATOM   3094 O O   . PHE C 3 70  ? 47.908 7.874   -9.473  1.000 44.087  0 71  PHE FFF O   1 ? 11 
ATOM   3095 C CB  . PHE C 3 70  ? 48.238 8.139   -6.276  1.000 46.033  0 71  PHE FFF CB  1 ? 11 
ATOM   3096 C CG  . PHE C 3 70  ? 48.587 8.852   -4.990  1.000 47.187  0 71  PHE FFF CG  1 ? 11 
ATOM   3097 C CD1 . PHE C 3 70  ? 49.594 9.807   -4.931  1.000 48.102  0 71  PHE FFF CD1 1 ? 11 
ATOM   3098 C CD2 . PHE C 3 70  ? 47.866 8.586   -3.833  1.000 47.249  0 71  PHE FFF CD2 1 ? 11 
ATOM   3099 C CE1 . PHE C 3 70  ? 49.886 10.460  -3.745  1.000 48.656  0 71  PHE FFF CE1 1 ? 11 
ATOM   3100 C CE2 . PHE C 3 70  ? 48.156 9.245   -2.648  1.000 47.902  0 71  PHE FFF CE2 1 ? 11 
ATOM   3101 C CZ  . PHE C 3 70  ? 49.173 10.172  -2.606  1.000 48.999  0 71  PHE FFF CZ  1 ? 11 
ATOM   3102 N N   . THR C 3 71  ? 49.371 6.285   -8.688  1.000 45.302  0 72  THR FFF N   1 ? 11 
ATOM   3103 C CA  . THR C 3 71  ? 49.077 5.206   -9.667  1.000 45.100  0 72  THR FFF CA  1 ? 11 
ATOM   3104 C C   . THR C 3 71  ? 48.850 3.902   -8.908  1.000 44.261  0 72  THR FFF C   1 ? 11 
ATOM   3105 O O   . THR C 3 71  ? 49.780 3.459   -8.221  1.000 45.514  0 72  THR FFF O   1 ? 11 
ATOM   3106 C CB  . THR C 3 71  ? 50.217 4.986   -10.666 1.000 45.888  0 72  THR FFF CB  1 ? 11 
ATOM   3107 O OG1 . THR C 3 71  ? 50.523 6.246   -11.252 1.000 48.029  0 72  THR FFF OG1 1 ? 11 
ATOM   3108 C CG2 . THR C 3 71  ? 49.858 3.996   -11.751 1.000 45.961  0 72  THR FFF CG2 1 ? 11 
ATOM   3109 N N   . MET C 3 72  ? 47.662 3.322   -9.050  1.000 43.610  0 73  MET FFF N   1 ? 11 
ATOM   3110 C CA  . MET C 3 72  ? 47.340 1.979   -8.509  1.000 43.457  0 73  MET FFF CA  1 ? 11 
ATOM   3111 C C   . MET C 3 72  ? 47.583 0.954   -9.623  1.000 43.630  0 73  MET FFF C   1 ? 11 
ATOM   3112 O O   . MET C 3 72  ? 47.326 1.270   -10.794 1.000 42.323  0 73  MET FFF O   1 ? 11 
ATOM   3113 C CB  . MET C 3 72  ? 45.888 1.899   -8.035  1.000 43.381  0 73  MET FFF CB  1 ? 11 
ATOM   3114 C CG  . MET C 3 72  ? 45.619 0.686   -7.178  1.000 44.749  0 73  MET FFF CG  1 ? 11 
ATOM   3115 S SD  . MET C 3 72  ? 43.900 0.608   -6.650  1.000 47.361  0 73  MET FFF SD  1 ? 11 
ATOM   3116 C CE  . MET C 3 72  ? 43.940 -0.881  -5.663  1.000 46.770  0 73  MET FFF CE  1 ? 11 
ATOM   3117 N N   . SER C 3 73  ? 48.080 -0.226  -9.271  1.000 43.578  0 74  SER FFF N   1 ? 11 
ATOM   3118 C CA  . SER C 3 73  ? 48.389 -1.304  -10.245 1.000 44.137  0 74  SER FFF CA  1 ? 11 
ATOM   3119 C C   . SER C 3 73  ? 48.248 -2.637  -9.522  1.000 43.444  0 74  SER FFF C   1 ? 11 
ATOM   3120 O O   . SER C 3 73  ? 48.155 -2.629  -8.291  1.000 44.878  0 74  SER FFF O   1 ? 11 
ATOM   3121 C CB  . SER C 3 73  ? 49.762 -1.125  -10.851 1.000 44.214  0 74  SER FFF CB  1 ? 11 
ATOM   3122 O OG  . SER C 3 73  ? 50.767 -1.199  -9.843  1.000 45.480  0 74  SER FFF OG  1 ? 11 
ATOM   3123 N N   . ARG C 3 74  ? 48.208 -3.737  -10.260 1.000 44.498  0 75  ARG FFF N   1 ? 11 
ATOM   3124 C CA  . ARG C 3 74  ? 48.133 -5.083  -9.647  1.000 43.782  0 75  ARG FFF CA  1 ? 11 
ATOM   3125 C C   . ARG C 3 74  ? 49.061 -6.025  -10.410 1.000 45.460  0 75  ARG FFF C   1 ? 11 
ATOM   3126 O O   . ARG C 3 74  ? 49.257 -5.822  -11.630 1.000 43.284  0 75  ARG FFF O   1 ? 11 
ATOM   3127 C CB  . ARG C 3 74  ? 46.690 -5.588  -9.628  1.000 43.382  0 75  ARG FFF CB  1 ? 11 
ATOM   3128 C CG  . ARG C 3 74  ? 46.094 -5.867  -10.999 1.000 42.862  0 75  ARG FFF CG  1 ? 11 
ATOM   3129 C CD  . ARG C 3 74  ? 44.601 -6.098  -10.891 1.000 42.088  0 75  ARG FFF CD  1 ? 11 
ATOM   3130 N NE  . ARG C 3 74  ? 44.258 -7.145  -9.943  1.000 42.094  0 75  ARG FFF NE  1 ? 11 
ATOM   3131 C CZ  . ARG C 3 74  ? 43.070 -7.291  -9.362  1.000 42.889  0 75  ARG FFF CZ  1 ? 11 
ATOM   3132 N NH1 . ARG C 3 74  ? 42.079 -6.450  -9.606  1.000 42.502  0 75  ARG FFF NH1 1 ? 11 
ATOM   3133 N NH2 . ARG C 3 74  ? 42.871 -8.286  -8.517  1.000 43.886  0 75  ARG FFF NH2 1 ? 11 
ATOM   3134 N N   . ASP C 3 75  ? 49.644 -6.972  -9.678  1.000 46.329  0 76  ASP FFF N   1 ? 11 
ATOM   3135 C CA  . ASP C 3 75  ? 50.445 -8.101  -10.208 1.000 48.300  0 76  ASP FFF CA  1 ? 11 
ATOM   3136 C C   . ASP C 3 75  ? 49.762 -9.374  -9.711  1.000 48.645  0 76  ASP FFF C   1 ? 11 
ATOM   3137 O O   . ASP C 3 75  ? 49.988 -9.736  -8.532  1.000 49.037  0 76  ASP FFF O   1 ? 11 
ATOM   3138 C CB  . ASP C 3 75  ? 51.906 -7.996  -9.756  1.000 49.463  0 76  ASP FFF CB  1 ? 11 
ATOM   3139 C CG  . ASP C 3 75  ? 52.812 -9.051  -10.369 1.000 51.012  0 76  ASP FFF CG  1 ? 11 
ATOM   3140 O OD1 . ASP C 3 75  ? 52.280 -10.080 -10.832 1.000 51.668  0 76  ASP FFF OD1 1 ? 11 
ATOM   3141 O OD2 . ASP C 3 75  ? 54.043 -8.845  -10.353 1.000 52.126  0 76  ASP FFF OD2 1 ? 11 
ATOM   3142 N N   . ASN C 3 76  ? 48.916 -9.989  -10.539 1.000 47.431  0 77  ASN FFF N   1 ? 11 
ATOM   3143 C CA  . ASN C 3 76  ? 48.084 -11.143 -10.103 1.000 48.907  0 77  ASN FFF CA  1 ? 11 
ATOM   3144 C C   . ASN C 3 76  ? 48.998 -12.330 -9.786  1.000 50.751  0 77  ASN FFF C   1 ? 11 
ATOM   3145 O O   . ASN C 3 76  ? 48.608 -13.121 -8.908  1.000 51.764  0 77  ASN FFF O   1 ? 11 
ATOM   3146 C CB  . ASN C 3 76  ? 46.969 -11.478 -11.099 1.000 47.967  0 77  ASN FFF CB  1 ? 11 
ATOM   3147 C CG  . ASN C 3 76  ? 45.962 -10.353 -11.237 1.000 47.154  0 77  ASN FFF CG  1 ? 11 
ATOM   3148 O OD1 . ASN C 3 76  ? 45.971 -9.393  -10.463 1.000 45.896  0 77  ASN FFF OD1 1 ? 11 
ATOM   3149 N ND2 . ASN C 3 76  ? 45.095 -10.459 -12.230 1.000 46.370  0 77  ASN FFF ND2 1 ? 11 
ATOM   3150 N N   . ALA C 3 77  ? 50.178 -12.415 -10.412 1.000 50.962  0 78  ALA FFF N   1 ? 11 
ATOM   3151 C CA  . ALA C 3 77  ? 51.163 -13.508 -10.198 1.000 53.905  0 78  ALA FFF CA  1 ? 11 
ATOM   3152 C C   . ALA C 3 77  ? 51.723 -13.443 -8.767  1.000 55.246  0 78  ALA FFF C   1 ? 11 
ATOM   3153 O O   . ALA C 3 77  ? 52.080 -14.501 -8.227  1.000 58.512  0 78  ALA FFF O   1 ? 11 
ATOM   3154 C CB  . ALA C 3 77  ? 52.271 -13.442 -11.219 1.000 53.934  0 78  ALA FFF CB  1 ? 11 
ATOM   3155 N N   . LYS C 3 78  ? 51.812 -12.245 -8.185  1.000 54.049  0 79  LYS FFF N   1 ? 11 
ATOM   3156 C CA  . LYS C 3 78  ? 52.301 -12.024 -6.800  1.000 55.479  0 79  LYS FFF CA  1 ? 11 
ATOM   3157 C C   . LYS C 3 78  ? 51.119 -11.806 -5.842  1.000 53.278  0 79  LYS FFF C   1 ? 11 
ATOM   3158 O O   . LYS C 3 78  ? 51.381 -11.564 -4.651  1.000 53.644  0 79  LYS FFF O   1 ? 11 
ATOM   3159 C CB  . LYS C 3 78  ? 53.262 -10.831 -6.771  1.000 57.489  0 79  LYS FFF CB  1 ? 11 
ATOM   3160 C CG  . LYS C 3 78  ? 54.555 -11.007 -7.559  1.000 60.478  0 79  LYS FFF CG  1 ? 11 
ATOM   3161 C CD  . LYS C 3 78  ? 55.570 -9.909  -7.261  1.000 63.100  0 79  LYS FFF CD  1 ? 11 
ATOM   3162 C CE  . LYS C 3 78  ? 56.918 -10.149 -7.906  1.000 65.594  0 79  LYS FFF CE  1 ? 11 
ATOM   3163 N NZ  . LYS C 3 78  ? 56.831 -10.049 -9.382  1.000 68.104  0 79  LYS FFF NZ  1 ? 11 
ATOM   3164 N N   . ASN C 3 79  ? 49.876 -11.862 -6.336  1.000 51.245  0 80  ASN FFF N   1 ? 11 
ATOM   3165 C CA  . ASN C 3 79  ? 48.631 -11.651 -5.541  1.000 50.550  0 80  ASN FFF CA  1 ? 11 
ATOM   3166 C C   . ASN C 3 79  ? 48.711 -10.328 -4.759  1.000 49.443  0 80  ASN FFF C   1 ? 11 
ATOM   3167 O O   . ASN C 3 79  ? 48.293 -10.306 -3.585  1.000 48.406  0 80  ASN FFF O   1 ? 11 
ATOM   3168 C CB  . ASN C 3 79  ? 48.387 -12.821 -4.586  1.000 52.728  0 80  ASN FFF CB  1 ? 11 
ATOM   3169 C CG  . ASN C 3 79  ? 46.920 -13.041 -4.293  1.000 52.864  0 80  ASN FFF CG  1 ? 11 
ATOM   3170 O OD1 . ASN C 3 79  ? 46.086 -12.955 -5.192  1.000 51.738  0 80  ASN FFF OD1 1 ? 11 
ATOM   3171 N ND2 . ASN C 3 79  ? 46.604 -13.390 -3.057  1.000 54.679  0 80  ASN FFF ND2 1 ? 11 
ATOM   3172 N N   . THR C 3 80  ? 49.213 -9.271  -5.405  1.000 48.034  0 81  THR FFF N   1 ? 11 
ATOM   3173 C CA  . THR C 3 80  ? 49.650 -7.999  -4.767  1.000 48.155  0 81  THR FFF CA  1 ? 11 
ATOM   3174 C C   . THR C 3 80  ? 49.119 -6.828  -5.595  1.000 46.868  0 81  THR FFF C   1 ? 11 
ATOM   3175 O O   . THR C 3 80  ? 49.204 -6.904  -6.832  1.000 46.032  0 81  THR FFF O   1 ? 11 
ATOM   3176 C CB  . THR C 3 80  ? 51.182 -7.946  -4.659  1.000 49.540  0 81  THR FFF CB  1 ? 11 
ATOM   3177 O OG1 . THR C 3 80  ? 51.586 -9.037  -3.834  1.000 52.084  0 81  THR FFF OG1 1 ? 11 
ATOM   3178 C CG2 . THR C 3 80  ? 51.715 -6.650  -4.083  1.000 49.728  0 81  THR FFF CG2 1 ? 11 
ATOM   3179 N N   . VAL C 3 81  ? 48.586 -5.794  -4.947  1.000 46.499  0 82  VAL FFF N   1 ? 11 
ATOM   3180 C CA  . VAL C 3 81  ? 48.295 -4.496  -5.624  1.000 45.999  0 82  VAL FFF CA  1 ? 11 
ATOM   3181 C C   . VAL C 3 81  ? 49.222 -3.445  -5.008  1.000 46.620  0 82  VAL FFF C   1 ? 11 
ATOM   3182 O O   . VAL C 3 81  ? 49.666 -3.639  -3.860  1.000 47.041  0 82  VAL FFF O   1 ? 11 
ATOM   3183 C CB  . VAL C 3 81  ? 46.806 -4.112  -5.530  1.000 45.895  0 82  VAL FFF CB  1 ? 11 
ATOM   3184 C CG1 . VAL C 3 81  ? 45.911 -5.198  -6.101  1.000 45.855  0 82  VAL FFF CG1 1 ? 11 
ATOM   3185 C CG2 . VAL C 3 81  ? 46.381 -3.781  -4.109  1.000 47.451  0 82  VAL FFF CG2 1 ? 11 
ATOM   3186 N N   . TYR C 3 82  ? 49.512 -2.382  -5.758  1.000 47.632  0 83  TYR FFF N   1 ? 11 
ATOM   3187 C CA  . TYR C 3 82  ? 50.467 -1.313  -5.372  1.000 47.780  0 83  TYR FFF CA  1 ? 11 
ATOM   3188 C C   . TYR C 3 82  ? 49.736 0.030   -5.400  1.000 46.604  0 83  TYR FFF C   1 ? 11 
ATOM   3189 O O   . TYR C 3 82  ? 48.750 0.166   -6.154  1.000 45.002  0 83  TYR FFF O   1 ? 11 
ATOM   3190 C CB  . TYR C 3 82  ? 51.686 -1.332  -6.302  1.000 48.939  0 83  TYR FFF CB  1 ? 11 
ATOM   3191 C CG  . TYR C 3 82  ? 52.355 -2.682  -6.410  1.000 49.457  0 83  TYR FFF CG  1 ? 11 
ATOM   3192 C CD1 . TYR C 3 82  ? 51.932 -3.615  -7.339  1.000 50.702  0 83  TYR FFF CD1 1 ? 11 
ATOM   3193 C CD2 . TYR C 3 82  ? 53.395 -3.039  -5.565  1.000 51.828  0 83  TYR FFF CD2 1 ? 11 
ATOM   3194 C CE1 . TYR C 3 82  ? 52.530 -4.862  -7.436  1.000 51.744  0 83  TYR FFF CE1 1 ? 11 
ATOM   3195 C CE2 . TYR C 3 82  ? 54.004 -4.283  -5.646  1.000 52.990  0 83  TYR FFF CE2 1 ? 11 
ATOM   3196 C CZ  . TYR C 3 82  ? 53.566 -5.201  -6.582  1.000 52.846  0 83  TYR FFF CZ  1 ? 11 
ATOM   3197 O OH  . TYR C 3 82  ? 54.157 -6.430  -6.675  1.000 52.772  0 83  TYR FFF OH  1 ? 11 
ATOM   3198 N N   . LEU C 3 83  ? 50.170 0.965   -4.551  1.000 46.247  0 84  LEU FFF N   1 ? 11 
ATOM   3199 C CA  . LEU C 3 83  ? 49.880 2.404   -4.728  1.000 46.342  0 84  LEU FFF CA  1 ? 11 
ATOM   3200 C C   . LEU C 3 83  ? 51.213 3.136   -4.874  1.000 48.034  0 84  LEU FFF C   1 ? 11 
ATOM   3201 O O   . LEU C 3 83  ? 51.951 3.259   -3.873  1.000 48.363  0 84  LEU FFF O   1 ? 11 
ATOM   3202 C CB  . LEU C 3 83  ? 49.061 2.939   -3.551  1.000 46.227  0 84  LEU FFF CB  1 ? 11 
ATOM   3203 C CG  . LEU C 3 83  ? 48.590 4.387   -3.707  1.000 46.288  0 84  LEU FFF CG  1 ? 11 
ATOM   3204 C CD1 . LEU C 3 83  ? 47.648 4.529   -4.897  1.000 45.244  0 84  LEU FFF CD1 1 ? 11 
ATOM   3205 C CD2 . LEU C 3 83  ? 47.927 4.868   -2.429  1.000 46.646  0 84  LEU FFF CD2 1 ? 11 
ATOM   3206 N N   . GLN C 3 84  ? 51.506 3.573   -6.097  1.000 49.449  0 85  GLN FFF N   1 ? 11 
ATOM   3207 C CA  . GLN C 3 84  ? 52.674 4.420   -6.425  1.000 51.054  0 85  GLN FFF CA  1 ? 11 
ATOM   3208 C C   . GLN C 3 84  ? 52.286 5.868   -6.096  1.000 50.653  0 85  GLN FFF C   1 ? 11 
ATOM   3209 O O   . GLN C 3 84  ? 51.362 6.408   -6.729  1.000 47.799  0 85  GLN FFF O   1 ? 11 
ATOM   3210 C CB  . GLN C 3 84  ? 53.079 4.174   -7.883  1.000 53.574  0 85  GLN FFF CB  1 ? 11 
ATOM   3211 C CG  . GLN C 3 84  ? 54.176 5.097   -8.395  1.000 57.835  0 85  GLN FFF CG  1 ? 11 
ATOM   3212 C CD  . GLN C 3 84  ? 55.446 4.962   -7.594  1.000 61.307  0 85  GLN FFF CD  1 ? 11 
ATOM   3213 O OE1 . GLN C 3 84  ? 55.831 3.862   -7.200  1.000 66.613  0 85  GLN FFF OE1 1 ? 11 
ATOM   3214 N NE2 . GLN C 3 84  ? 56.103 6.084   -7.333  1.000 63.175  0 85  GLN FFF NE2 1 ? 11 
ATOM   3215 N N   . MET C 3 85  ? 52.943 6.463   -5.106  1.000 50.605  0 86  MET FFF N   1 ? 11 
ATOM   3216 C CA  . MET C 3 85  ? 52.644 7.844   -4.646  1.000 51.900  0 86  MET FFF CA  1 ? 11 
ATOM   3217 C C   . MET C 3 85  ? 53.844 8.724   -4.979  1.000 51.727  0 86  MET FFF C   1 ? 11 
ATOM   3218 O O   . MET C 3 85  ? 54.923 8.447   -4.448  1.000 52.945  0 86  MET FFF O   1 ? 11 
ATOM   3219 C CB  . MET C 3 85  ? 52.374 7.872   -3.142  1.000 52.732  0 86  MET FFF CB  1 ? 11 
ATOM   3220 C CG  . MET C 3 85  ? 51.385 6.823   -2.691  1.000 53.247  0 86  MET FFF CG  1 ? 11 
ATOM   3221 S SD  . MET C 3 85  ? 51.308 6.742   -0.887  1.000 57.022  0 86  MET FFF SD  1 ? 11 
ATOM   3222 C CE  . MET C 3 85  ? 49.869 7.757   -0.589  1.000 56.941  0 86  MET FFF CE  1 ? 11 
ATOM   3223 N N   . ASN C 3 86  ? 53.652 9.701   -5.866  1.000 51.573  0 87  ASN FFF N   1 ? 11 
ATOM   3224 C CA  . ASN C 3 86  ? 54.649 10.745  -6.226  1.000 53.610  0 87  ASN FFF CA  1 ? 11 
ATOM   3225 C C   . ASN C 3 86  ? 54.134 12.094  -5.728  1.000 54.499  0 87  ASN FFF C   1 ? 11 
ATOM   3226 O O   . ASN C 3 86  ? 52.909 12.200  -5.474  1.000 54.732  0 87  ASN FFF O   1 ? 11 
ATOM   3227 C CB  . ASN C 3 86  ? 54.898 10.845  -7.735  1.000 53.772  0 87  ASN FFF CB  1 ? 11 
ATOM   3228 C CG  . ASN C 3 86  ? 55.336 9.538   -8.358  1.000 54.008  0 87  ASN FFF CG  1 ? 11 
ATOM   3229 O OD1 . ASN C 3 86  ? 56.119 8.796   -7.770  1.000 56.396  0 87  ASN FFF OD1 1 ? 11 
ATOM   3230 N ND2 . ASN C 3 86  ? 54.835 9.244   -9.544  1.000 52.958  0 87  ASN FFF ND2 1 ? 11 
ATOM   3231 N N   . SER C 3 87  ? 55.030 13.080  -5.621  1.000 54.895  0 88  SER FFF N   1 ? 11 
ATOM   3232 C CA  . SER C 3 87  ? 54.707 14.496  -5.296  1.000 56.174  0 88  SER FFF CA  1 ? 11 
ATOM   3233 C C   . SER C 3 87  ? 53.902 14.537  -3.992  1.000 56.126  0 88  SER FFF C   1 ? 11 
ATOM   3234 O O   . SER C 3 87  ? 52.930 15.321  -3.905  1.000 55.754  0 88  SER FFF O   1 ? 11 
ATOM   3235 C CB  . SER C 3 87  ? 53.954 15.177  -6.433  1.000 55.853  0 88  SER FFF CB  1 ? 11 
ATOM   3236 O OG  . SER C 3 87  ? 54.685 15.120  -7.649  1.000 55.391  0 88  SER FFF OG  1 ? 11 
ATOM   3237 N N   . LEU C 3 88  ? 54.283 13.706  -3.019  1.000 55.581  0 89  LEU FFF N   1 ? 11 
ATOM   3238 C CA  . LEU C 3 88  ? 53.561 13.599  -1.728  1.000 55.670  0 89  LEU FFF CA  1 ? 11 
ATOM   3239 C C   . LEU C 3 88  ? 53.480 14.982  -1.064  1.000 57.237  0 89  LEU FFF C   1 ? 11 
ATOM   3240 O O   . LEU C 3 88  ? 54.481 15.738  -1.113  1.000 56.453  0 89  LEU FFF O   1 ? 11 
ATOM   3241 C CB  . LEU C 3 88  ? 54.273 12.571  -0.851  1.000 55.891  0 89  LEU FFF CB  1 ? 11 
ATOM   3242 C CG  . LEU C 3 88  ? 53.871 11.132  -1.146  1.000 54.461  0 89  LEU FFF CG  1 ? 11 
ATOM   3243 C CD1 . LEU C 3 88  ? 54.912 10.148  -0.640  1.000 54.792  0 89  LEU FFF CD1 1 ? 11 
ATOM   3244 C CD2 . LEU C 3 88  ? 52.505 10.836  -0.546  1.000 54.148  0 89  LEU FFF CD2 1 ? 11 
ATOM   3245 N N   . LYS C 3 89  ? 52.305 15.297  -0.507  1.000 58.114  0 90  LYS FFF N   1 ? 11 
ATOM   3246 C CA  . LYS C 3 89  ? 51.999 16.541  0.246   1.000 59.086  0 90  LYS FFF CA  1 ? 11 
ATOM   3247 C C   . LYS C 3 89  ? 51.803 16.194  1.718   1.000 58.051  0 90  LYS FFF C   1 ? 11 
ATOM   3248 O O   . LYS C 3 89  ? 51.439 15.064  2.043   1.000 54.337  0 90  LYS FFF O   1 ? 11 
ATOM   3249 C CB  . LYS C 3 89  ? 50.719 17.186  -0.293  1.000 61.088  0 90  LYS FFF CB  1 ? 11 
ATOM   3250 C CG  . LYS C 3 89  ? 50.776 17.643  -1.741  1.000 62.414  0 90  LYS FFF CG  1 ? 11 
ATOM   3251 C CD  . LYS C 3 89  ? 49.424 18.052  -2.287  1.000 64.130  0 90  LYS FFF CD  1 ? 11 
ATOM   3252 C CE  . LYS C 3 89  ? 49.517 18.785  -3.608  1.000 65.055  0 90  LYS FFF CE  1 ? 11 
ATOM   3253 N NZ  . LYS C 3 89  ? 48.366 18.473  -4.488  1.000 65.153  0 90  LYS FFF NZ  1 ? 11 
ATOM   3254 N N   . PRO C 3 90  ? 52.039 17.148  2.649   1.000 58.409  0 91  PRO FFF N   1 ? 11 
ATOM   3255 C CA  . PRO C 3 90  ? 51.610 16.994  4.041   1.000 59.267  0 91  PRO FFF CA  1 ? 11 
ATOM   3256 C C   . PRO C 3 90  ? 50.182 16.437  4.193   1.000 58.189  0 91  PRO FFF C   1 ? 11 
ATOM   3257 O O   . PRO C 3 90  ? 49.967 15.598  5.055   1.000 58.284  0 91  PRO FFF O   1 ? 11 
ATOM   3258 C CB  . PRO C 3 90  ? 51.691 18.435  4.575   1.000 60.768  0 91  PRO FFF CB  1 ? 11 
ATOM   3259 C CG  . PRO C 3 90  ? 52.840 19.043  3.803   1.000 61.419  0 91  PRO FFF CG  1 ? 11 
ATOM   3260 C CD  . PRO C 3 90  ? 52.775 18.404  2.430   1.000 60.156  0 91  PRO FFF CD  1 ? 11 
ATOM   3261 N N   . SER C 3 91  ? 49.256 16.899  3.341   1.000 57.338  0 92  SER FFF N   1 ? 11 
ATOM   3262 C CA  . SER C 3 91  ? 47.817 16.522  3.334   1.000 56.531  0 92  SER FFF CA  1 ? 11 
ATOM   3263 C C   . SER C 3 91  ? 47.611 15.039  2.952   1.000 54.227  0 92  SER FFF C   1 ? 11 
ATOM   3264 O O   . SER C 3 91  ? 46.471 14.579  3.101   1.000 53.632  0 92  SER FFF O   1 ? 11 
ATOM   3265 C CB  . SER C 3 91  ? 47.040 17.436  2.415   1.000 56.689  0 92  SER FFF CB  1 ? 11 
ATOM   3266 O OG  . SER C 3 91  ? 47.522 17.333  1.083   1.000 55.889  0 92  SER FFF OG  1 ? 11 
ATOM   3267 N N   . ASP C 3 92  ? 48.643 14.320  2.481   1.000 53.414  0 93  ASP FFF N   1 ? 11 
ATOM   3268 C CA  . ASP C 3 92  ? 48.588 12.859  2.163   1.000 51.918  0 93  ASP FFF CA  1 ? 11 
ATOM   3269 C C   . ASP C 3 92  ? 48.890 11.996  3.399   1.000 51.407  0 93  ASP FFF C   1 ? 11 
ATOM   3270 O O   . ASP C 3 92  ? 48.773 10.740  3.309   1.000 50.092  0 93  ASP FFF O   1 ? 11 
ATOM   3271 C CB  . ASP C 3 92  ? 49.569 12.483  1.049   1.000 52.465  0 93  ASP FFF CB  1 ? 11 
ATOM   3272 C CG  . ASP C 3 92  ? 49.225 13.097  -0.299  1.000 52.836  0 93  ASP FFF CG  1 ? 11 
ATOM   3273 O OD1 . ASP C 3 92  ? 48.029 13.115  -0.647  1.000 52.602  0 93  ASP FFF OD1 1 ? 11 
ATOM   3274 O OD2 . ASP C 3 92  ? 50.157 13.563  -0.984  1.000 53.911  0 93  ASP FFF OD2 1 ? 11 
ATOM   3275 N N   . THR C 3 93  ? 49.303 12.621  4.498   1.000 51.380  0 94  THR FFF N   1 ? 11 
ATOM   3276 C CA  . THR C 3 93  ? 49.570 11.938  5.782   1.000 51.574  0 94  THR FFF CA  1 ? 11 
ATOM   3277 C C   . THR C 3 93  ? 48.296 11.223  6.229   1.000 51.577  0 94  THR FFF C   1 ? 11 
ATOM   3278 O O   . THR C 3 93  ? 47.235 11.882  6.219   1.000 51.715  0 94  THR FFF O   1 ? 11 
ATOM   3279 C CB  . THR C 3 93  ? 50.055 12.927  6.845   1.000 52.294  0 94  THR FFF CB  1 ? 11 
ATOM   3280 O OG1 . THR C 3 93  ? 51.262 13.490  6.333   1.000 51.542  0 94  THR FFF OG1 1 ? 11 
ATOM   3281 C CG2 . THR C 3 93  ? 50.279 12.271  8.189   1.000 53.227  0 94  THR FFF CG2 1 ? 11 
ATOM   3282 N N   . ALA C 3 94  ? 48.418 9.946   6.618   1.000 50.544  0 95  ALA FFF N   1 ? 11 
ATOM   3283 C CA  . ALA C 3 94  ? 47.295 9.076   7.034   1.000 51.095  0 95  ALA FFF CA  1 ? 11 
ATOM   3284 C C   . ALA C 3 94  ? 47.785 7.635   7.223   1.000 51.454  0 95  ALA FFF C   1 ? 11 
ATOM   3285 O O   . ALA C 3 94  ? 48.916 7.323   6.780   1.000 51.136  0 95  ALA FFF O   1 ? 11 
ATOM   3286 C CB  . ALA C 3 94  ? 46.208 9.116   5.970   1.000 50.108  0 95  ALA FFF CB  1 ? 11 
ATOM   3287 N N   . VAL C 3 95  ? 46.922 6.779   7.779   1.000 51.538  0 96  VAL FFF N   1 ? 11 
ATOM   3288 C CA  . VAL C 3 95  ? 47.025 5.295   7.669   1.000 51.440  0 96  VAL FFF CA  1 ? 11 
ATOM   3289 C C   . VAL C 3 95  ? 46.375 4.878   6.344   1.000 50.851  0 96  VAL FFF C   1 ? 11 
ATOM   3290 O O   . VAL C 3 95  ? 45.219 5.265   6.109   1.000 51.563  0 96  VAL FFF O   1 ? 11 
ATOM   3291 C CB  . VAL C 3 95  ? 46.359 4.591   8.861   1.000 52.013  0 96  VAL FFF CB  1 ? 11 
ATOM   3292 C CG1 . VAL C 3 95  ? 46.616 3.097   8.837   1.000 52.048  0 96  VAL FFF CG1 1 ? 11 
ATOM   3293 C CG2 . VAL C 3 95  ? 46.806 5.200   10.184  1.000 53.580  0 96  VAL FFF CG2 1 ? 11 
ATOM   3294 N N   . TYR C 3 96  ? 47.096 4.120   5.516   1.000 50.113  0 97  TYR FFF N   1 ? 11 
ATOM   3295 C CA  . TYR C 3 96  ? 46.616 3.596   4.215   1.000 49.074  0 97  TYR FFF CA  1 ? 11 
ATOM   3296 C C   . TYR C 3 96  ? 46.189 2.140   4.376   1.000 50.378  0 97  TYR FFF C   1 ? 11 
ATOM   3297 O O   . TYR C 3 96  ? 46.978 1.316   4.884   1.000 49.968  0 97  TYR FFF O   1 ? 11 
ATOM   3298 C CB  . TYR C 3 96  ? 47.681 3.818   3.143   1.000 47.636  0 97  TYR FFF CB  1 ? 11 
ATOM   3299 C CG  . TYR C 3 96  ? 47.720 5.257   2.695   1.000 46.761  0 97  TYR FFF CG  1 ? 11 
ATOM   3300 C CD1 . TYR C 3 96  ? 48.157 6.260   3.543   1.000 46.991  0 97  TYR FFF CD1 1 ? 11 
ATOM   3301 C CD2 . TYR C 3 96  ? 47.264 5.626   1.442   1.000 45.700  0 97  TYR FFF CD2 1 ? 11 
ATOM   3302 C CE1 . TYR C 3 96  ? 48.178 7.588   3.145   1.000 47.043  0 97  TYR FFF CE1 1 ? 11 
ATOM   3303 C CE2 . TYR C 3 96  ? 47.276 6.949   1.028   1.000 45.192  0 97  TYR FFF CE2 1 ? 11 
ATOM   3304 C CZ  . TYR C 3 96  ? 47.730 7.938   1.884   1.000 46.369  0 97  TYR FFF CZ  1 ? 11 
ATOM   3305 O OH  . TYR C 3 96  ? 47.749 9.234   1.444   1.000 46.369  0 97  TYR FFF OH  1 ? 11 
ATOM   3306 N N   . TYR C 3 97  ? 44.946 1.868   3.970   1.000 52.448  0 98  TYR FFF N   1 ? 11 
ATOM   3307 C CA  . TYR C 3 97  ? 44.287 0.538   3.989   1.000 53.200  0 98  TYR FFF CA  1 ? 11 
ATOM   3308 C C   . TYR C 3 97  ? 43.942 0.129   2.561   1.000 52.854  0 98  TYR FFF C   1 ? 11 
ATOM   3309 O O   . TYR C 3 97  ? 43.479 0.995   1.786   1.000 49.635  0 98  TYR FFF O   1 ? 11 
ATOM   3310 C CB  . TYR C 3 97  ? 42.972 0.560   4.767   1.000 54.890  0 98  TYR FFF CB  1 ? 11 
ATOM   3311 C CG  . TYR C 3 97  ? 43.101 1.044   6.182   1.000 57.446  0 98  TYR FFF CG  1 ? 11 
ATOM   3312 C CD1 . TYR C 3 97  ? 43.041 2.396   6.474   1.000 58.578  0 98  TYR FFF CD1 1 ? 11 
ATOM   3313 C CD2 . TYR C 3 97  ? 43.280 0.150   7.224   1.000 60.469  0 98  TYR FFF CD2 1 ? 11 
ATOM   3314 C CE1 . TYR C 3 97  ? 43.165 2.855   7.774   1.000 60.162  0 98  TYR FFF CE1 1 ? 11 
ATOM   3315 C CE2 . TYR C 3 97  ? 43.404 0.592   8.531   1.000 62.354  0 98  TYR FFF CE2 1 ? 11 
ATOM   3316 C CZ  . TYR C 3 97  ? 43.342 1.948   8.804   1.000 62.402  0 98  TYR FFF CZ  1 ? 11 
ATOM   3317 O OH  . TYR C 3 97  ? 43.469 2.392   10.084  1.000 63.517  0 98  TYR FFF OH  1 ? 11 
ATOM   3318 N N   . CYS C 3 98  ? 44.121 -1.154  2.243   1.000 51.988  0 99  CYS FFF N   1 ? 11 
ATOM   3319 C CA  . CYS C 3 98  ? 43.515 -1.774  1.046   1.000 52.116  0 99  CYS FFF CA  1 ? 11 
ATOM   3320 C C   . CYS C 3 98  ? 42.312 -2.596  1.497   1.000 51.234  0 99  CYS FFF C   1 ? 11 
ATOM   3321 O O   . CYS C 3 98  ? 42.306 -3.081  2.642   1.000 50.157  0 99  CYS FFF O   1 ? 11 
ATOM   3322 C CB  . CYS C 3 98  ? 44.512 -2.605  0.251   1.000 55.010  0 99  CYS FFF CB  1 ? 11 
ATOM   3323 S SG  . CYS C 3 98  ? 45.133 -4.044  1.153   1.000 61.924  0 99  CYS FFF SG  1 ? 11 
ATOM   3324 N N   . ALA C 3 99  ? 41.328 -2.723  0.611   1.000 49.786  0 100 ALA FFF N   1 ? 11 
ATOM   3325 C CA  . ALA C 3 99  ? 40.088 -3.496  0.821   1.000 49.423  0 100 ALA FFF CA  1 ? 11 
ATOM   3326 C C   . ALA C 3 99  ? 39.698 -4.184  -0.486  1.000 47.764  0 100 ALA FFF C   1 ? 11 
ATOM   3327 O O   . ALA C 3 99  ? 40.021 -3.658  -1.569  1.000 46.297  0 100 ALA FFF O   1 ? 11 
ATOM   3328 C CB  . ALA C 3 99  ? 38.988 -2.586  1.309   1.000 49.762  0 100 ALA FFF CB  1 ? 11 
ATOM   3329 N N   . THR C 3 100 ? 39.006 -5.310  -0.376  1.000 46.895  0 101 THR FFF N   1 ? 11 
ATOM   3330 C CA  . THR C 3 100 ? 38.436 -6.034  -1.529  1.000 45.886  0 101 THR FFF CA  1 ? 11 
ATOM   3331 C C   . THR C 3 100 ? 37.040 -6.521  -1.148  1.000 46.663  0 101 THR FFF C   1 ? 11 
ATOM   3332 O O   . THR C 3 100 ? 36.685 -6.427  0.034   1.000 48.675  0 101 THR FFF O   1 ? 11 
ATOM   3333 C CB  . THR C 3 100 ? 39.365 -7.173  -1.963  1.000 46.192  0 101 THR FFF CB  1 ? 11 
ATOM   3334 O OG1 . THR C 3 100 ? 38.831 -7.730  -3.162  1.000 44.089  0 101 THR FFF OG1 1 ? 11 
ATOM   3335 C CG2 . THR C 3 100 ? 39.513 -8.244  -0.906  1.000 47.506  0 101 THR FFF CG2 1 ? 11 
ATOM   3336 N N   . ASP C 3 101 ? 36.292 -7.008  -2.137  1.000 46.296  0 102 ASP FFF N   1 ? 11 
ATOM   3337 C CA  . ASP C 3 101 ? 34.971 -7.663  -1.966  1.000 47.901  0 102 ASP FFF CA  1 ? 11 
ATOM   3338 C C   . ASP C 3 101 ? 34.779 -8.568  -3.180  1.000 47.419  0 102 ASP FFF C   1 ? 11 
ATOM   3339 O O   . ASP C 3 101 ? 35.769 -8.740  -3.936  1.000 47.358  0 102 ASP FFF O   1 ? 11 
ATOM   3340 C CB  . ASP C 3 101 ? 33.858 -6.635  -1.717  1.000 47.936  0 102 ASP FFF CB  1 ? 11 
ATOM   3341 C CG  . ASP C 3 101 ? 33.357 -5.841  -2.914  1.000 46.879  0 102 ASP FFF CG  1 ? 11 
ATOM   3342 O OD1 . ASP C 3 101 ? 32.404 -5.051  -2.723  1.000 47.040  0 102 ASP FFF OD1 1 ? 11 
ATOM   3343 O OD2 . ASP C 3 101 ? 33.914 -5.994  -4.023  1.000 45.242  0 102 ASP FFF OD2 1 ? 11 
ATOM   3344 N N   . LEU C 3 102 ? 33.563 -9.088  -3.383  1.000 49.570  0 103 LEU FFF N   1 ? 11 
ATOM   3345 C CA  . LEU C 3 102 ? 33.258 -10.084 -4.449  1.000 48.649  0 103 LEU FFF CA  1 ? 11 
ATOM   3346 C C   . LEU C 3 102 ? 32.841 -9.427  -5.776  1.000 47.495  0 103 LEU FFF C   1 ? 11 
ATOM   3347 O O   . LEU C 3 102 ? 32.532 -10.182 -6.736  1.000 46.862  0 103 LEU FFF O   1 ? 11 
ATOM   3348 C CB  . LEU C 3 102 ? 32.166 -11.021 -3.924  1.000 52.446  0 103 LEU FFF CB  1 ? 11 
ATOM   3349 C CG  . LEU C 3 102 ? 32.596 -11.909 -2.754  1.000 53.550  0 103 LEU FFF CG  1 ? 11 
ATOM   3350 C CD1 . LEU C 3 102 ? 31.414 -12.657 -2.158  1.000 55.910  0 103 LEU FFF CD1 1 ? 11 
ATOM   3351 C CD2 . LEU C 3 102 ? 33.680 -12.878 -3.192  1.000 55.412  0 103 LEU FFF CD2 1 ? 11 
ATOM   3352 N N   . GLY C 3 103 ? 32.825 -8.094  -5.853  1.000 45.797  0 104 GLY FFF N   1 ? 11 
ATOM   3353 C CA  . GLY C 3 103 ? 32.553 -7.367  -7.107  1.000 43.293  0 104 GLY FFF CA  1 ? 11 
ATOM   3354 C C   . GLY C 3 103 ? 33.722 -7.474  -8.075  1.000 41.306  0 104 GLY FFF C   1 ? 11 
ATOM   3355 O O   . GLY C 3 103 ? 34.899 -7.526  -7.618  1.000 42.302  0 104 GLY FFF O   1 ? 11 
ATOM   3356 N N   . GLY C 3 104 ? 33.415 -7.533  -9.373  1.000 39.312  0 105 GLY FFF N   1 ? 11 
ATOM   3357 C CA  . GLY C 3 104 ? 34.429 -7.504  -10.447 1.000 38.166  0 105 GLY FFF CA  1 ? 11 
ATOM   3358 C C   . GLY C 3 104 ? 34.894 -6.087  -10.753 1.000 37.176  0 105 GLY FFF C   1 ? 11 
ATOM   3359 O O   . GLY C 3 104 ? 36.057 -5.937  -11.201 1.000 36.951  0 105 GLY FFF O   1 ? 11 
ATOM   3360 N N   . TYR C 3 105 ? 34.048 -5.075  -10.504 1.000 36.210  0 106 TYR FFF N   1 ? 11 
ATOM   3361 C CA  . TYR C 3 105 ? 34.226 -3.716  -11.082 1.000 36.039  0 106 TYR FFF CA  1 ? 11 
ATOM   3362 C C   . TYR C 3 105 ? 34.001 -2.615  -10.038 1.000 36.347  0 106 TYR FFF C   1 ? 11 
ATOM   3363 O O   . TYR C 3 105 ? 32.979 -2.603  -9.323  1.000 36.396  0 106 TYR FFF O   1 ? 11 
ATOM   3364 C CB  . TYR C 3 105 ? 33.355 -3.540  -12.329 1.000 34.844  0 106 TYR FFF CB  1 ? 11 
ATOM   3365 C CG  . TYR C 3 105 ? 33.862 -4.378  -13.478 1.000 34.803  0 106 TYR FFF CG  1 ? 11 
ATOM   3366 C CD1 . TYR C 3 105 ? 34.974 -3.988  -14.211 1.000 34.331  0 106 TYR FFF CD1 1 ? 11 
ATOM   3367 C CD2 . TYR C 3 105 ? 33.308 -5.616  -13.754 1.000 35.219  0 106 TYR FFF CD2 1 ? 11 
ATOM   3368 C CE1 . TYR C 3 105 ? 35.485 -4.780  -15.227 1.000 35.231  0 106 TYR FFF CE1 1 ? 11 
ATOM   3369 C CE2 . TYR C 3 105 ? 33.801 -6.419  -14.773 1.000 35.094  0 106 TYR FFF CE2 1 ? 11 
ATOM   3370 C CZ  . TYR C 3 105 ? 34.900 -6.006  -15.501 1.000 35.373  0 106 TYR FFF CZ  1 ? 11 
ATOM   3371 O OH  . TYR C 3 105 ? 35.395 -6.788  -16.496 1.000 36.533  0 106 TYR FFF OH  1 ? 11 
ATOM   3372 N N   . CYS C 3 106 ? 34.963 -1.695  -9.997  1.000 36.999  0 107 CYS FFF N   1 ? 11 
ATOM   3373 C CA  . CYS C 3 106 ? 34.852 -0.353  -9.367  1.000 37.356  0 107 CYS FFF CA  1 ? 11 
ATOM   3374 C C   . CYS C 3 106 ? 33.849 0.520   -10.128 1.000 37.673  0 107 CYS FFF C   1 ? 11 
ATOM   3375 O O   . CYS C 3 106 ? 33.736 0.367   -11.349 1.000 35.565  0 107 CYS FFF O   1 ? 11 
ATOM   3376 C CB  . CYS C 3 106 ? 36.188 0.373   -9.423  1.000 37.843  0 107 CYS FFF CB  1 ? 11 
ATOM   3377 S SG  . CYS C 3 106 ? 37.539 -0.566  -8.676  1.000 41.198  0 107 CYS FFF SG  1 ? 11 
ATOM   3378 N N   . SER C 3 107 ? 33.190 1.445   -9.423  1.000 38.187  0 108 SER FFF N   1 ? 11 
ATOM   3379 C CA  . SER C 3 107 ? 32.609 2.684   -9.995  1.000 38.951  0 108 SER FFF CA  1 ? 11 
ATOM   3380 C C   . SER C 3 107 ? 33.239 3.856   -9.251  1.000 39.932  0 108 SER FFF C   1 ? 11 
ATOM   3381 O O   . SER C 3 107 ? 33.846 3.621   -8.201  1.000 39.129  0 108 SER FFF O   1 ? 11 
ATOM   3382 C CB  . SER C 3 107 ? 31.101 2.708   -9.909  1.000 39.976  0 108 SER FFF CB  1 ? 11 
ATOM   3383 O OG  . SER C 3 107 ? 30.653 3.091   -8.617  1.000 40.877  0 108 SER FFF OG  1 ? 11 
ATOM   3384 N N   . ASP C 3 108 ? 33.104 5.073   -9.774  1.000 41.517  0 109 ASP FFF N   1 ? 11 
ATOM   3385 C CA  . ASP C 3 108 ? 33.679 6.283   -9.130  1.000 43.576  0 109 ASP FFF CA  1 ? 11 
ATOM   3386 C C   . ASP C 3 108 ? 33.093 6.400   -7.716  1.000 45.872  0 109 ASP FFF C   1 ? 11 
ATOM   3387 O O   . ASP C 3 108 ? 33.808 6.915   -6.839  1.000 47.568  0 109 ASP FFF O   1 ? 11 
ATOM   3388 C CB  . ASP C 3 108 ? 33.466 7.526   -10.003 1.000 45.851  0 109 ASP FFF CB  1 ? 11 
ATOM   3389 C CG  . ASP C 3 108 ? 32.020 7.966   -10.161 1.000 47.396  0 109 ASP FFF CG  1 ? 11 
ATOM   3390 O OD1 . ASP C 3 108 ? 31.112 7.181   -9.823  1.000 48.761  0 109 ASP FFF OD1 1 ? 11 
ATOM   3391 O OD2 . ASP C 3 108 ? 31.812 9.096   -10.621 1.000 52.490  0 109 ASP FFF OD2 1 ? 11 
ATOM   3392 N N   . SER C 3 109 ? 31.867 5.884   -7.519  1.000 46.305  0 110 SER FFF N   1 ? 11 
ATOM   3393 C CA  . SER C 3 109 ? 30.985 6.071   -6.338  1.000 47.072  0 110 SER FFF CA  1 ? 11 
ATOM   3394 C C   . SER C 3 109 ? 30.962 4.825   -5.443  1.000 45.679  0 110 SER FFF C   1 ? 11 
ATOM   3395 O O   . SER C 3 109 ? 30.462 4.934   -4.324  1.000 45.953  0 110 SER FFF O   1 ? 11 
ATOM   3396 C CB  . SER C 3 109 ? 29.582 6.385   -6.791  1.000 49.604  0 110 SER FFF CB  1 ? 11 
ATOM   3397 O OG  . SER C 3 109 ? 29.577 7.429   -7.754  1.000 54.978  0 110 SER FFF OG  1 ? 11 
ATOM   3398 N N   . ASN C 3 110 ? 31.416 3.668   -5.932  1.000 43.438  0 111 ASN FFF N   1 ? 11 
ATOM   3399 C CA  . ASN C 3 110 ? 31.277 2.380   -5.205  1.000 43.072  0 111 ASN FFF CA  1 ? 11 
ATOM   3400 C C   . ASN C 3 110 ? 32.599 1.608   -5.268  1.000 42.000  0 111 ASN FFF C   1 ? 11 
ATOM   3401 O O   . ASN C 3 110 ? 32.890 1.029   -6.328  1.000 39.991  0 111 ASN FFF O   1 ? 11 
ATOM   3402 C CB  . ASN C 3 110 ? 30.091 1.583   -5.746  1.000 43.281  0 111 ASN FFF CB  1 ? 11 
ATOM   3403 C CG  . ASN C 3 110 ? 29.879 0.282   -4.999  1.000 43.648  0 111 ASN FFF CG  1 ? 11 
ATOM   3404 O OD1 . ASN C 3 110 ? 30.838 -0.405  -4.673  1.000 43.799  0 111 ASN FFF OD1 1 ? 11 
ATOM   3405 N ND2 . ASN C 3 110 ? 28.635 -0.049  -4.703  1.000 44.251  0 111 ASN FFF ND2 1 ? 11 
ATOM   3406 N N   . TYR C 3 111 ? 33.362 1.608   -4.167  1.000 42.523  0 112 TYR FFF N   1 ? 11 
ATOM   3407 C CA  . TYR C 3 111 ? 34.625 0.846   -3.985  1.000 42.411  0 112 TYR FFF CA  1 ? 11 
ATOM   3408 C C   . TYR C 3 111 ? 34.324 -0.371  -3.110  1.000 43.800  0 112 TYR FFF C   1 ? 11 
ATOM   3409 O O   . TYR C 3 111 ? 33.367 -0.349  -2.337  1.000 43.961  0 112 TYR FFF O   1 ? 11 
ATOM   3410 C CB  . TYR C 3 111 ? 35.696 1.673   -3.269  1.000 43.163  0 112 TYR FFF CB  1 ? 11 
ATOM   3411 C CG  . TYR C 3 111 ? 36.374 2.781   -4.035  1.000 43.266  0 112 TYR FFF CG  1 ? 11 
ATOM   3412 C CD1 . TYR C 3 111 ? 35.856 3.301   -5.209  1.000 42.352  0 112 TYR FFF CD1 1 ? 11 
ATOM   3413 C CD2 . TYR C 3 111 ? 37.524 3.364   -3.523  1.000 44.130  0 112 TYR FFF CD2 1 ? 11 
ATOM   3414 C CE1 . TYR C 3 111 ? 36.480 4.350   -5.865  1.000 43.308  0 112 TYR FFF CE1 1 ? 11 
ATOM   3415 C CE2 . TYR C 3 111 ? 38.154 4.419   -4.162  1.000 44.343  0 112 TYR FFF CE2 1 ? 11 
ATOM   3416 C CZ  . TYR C 3 111 ? 37.633 4.912   -5.343  1.000 42.972  0 112 TYR FFF CZ  1 ? 11 
ATOM   3417 O OH  . TYR C 3 111 ? 38.253 5.936   -5.992  1.000 43.912  0 112 TYR FFF OH  1 ? 11 
ATOM   3418 N N   . PRO C 3 112 ? 35.144 -1.446  -3.154  1.000 43.984  0 113 PRO FFF N   1 ? 11 
ATOM   3419 C CA  . PRO C 3 112 ? 34.944 -2.593  -2.271  1.000 44.756  0 113 PRO FFF CA  1 ? 11 
ATOM   3420 C C   . PRO C 3 112 ? 35.213 -2.237  -0.800  1.000 46.537  0 113 PRO FFF C   1 ? 11 
ATOM   3421 O O   . PRO C 3 112 ? 36.115 -1.451  -0.532  1.000 46.758  0 113 PRO FFF O   1 ? 11 
ATOM   3422 C CB  . PRO C 3 112 ? 35.951 -3.627  -2.794  1.000 44.354  0 113 PRO FFF CB  1 ? 11 
ATOM   3423 C CG  . PRO C 3 112 ? 37.048 -2.775  -3.398  1.000 43.272  0 113 PRO FFF CG  1 ? 11 
ATOM   3424 C CD  . PRO C 3 112 ? 36.312 -1.613  -4.031  1.000 42.708  0 113 PRO FFF CD  1 ? 11 
ATOM   3425 N N   . ARG C 3 113 ? 34.425 -2.817  0.109   1.000 48.122  0 114 ARG FFF N   1 ? 11 
ATOM   3426 C CA  . ARG C 3 113 ? 34.417 -2.450  1.554   1.000 50.862  0 114 ARG FFF CA  1 ? 11 
ATOM   3427 C C   . ARG C 3 113 ? 34.161 -3.672  2.450   1.000 51.896  0 114 ARG FFF C   1 ? 11 
ATOM   3428 O O   . ARG C 3 113 ? 33.739 -3.470  3.597   1.000 53.151  0 114 ARG FFF O   1 ? 11 
ATOM   3429 C CB  . ARG C 3 113 ? 33.350 -1.379  1.796   1.000 52.787  0 114 ARG FFF CB  1 ? 11 
ATOM   3430 C CG  . ARG C 3 113 ? 33.862 0.046   1.639   1.000 55.447  0 114 ARG FFF CG  1 ? 11 
ATOM   3431 C CD  . ARG C 3 113 ? 32.751 1.021   1.309   1.000 57.528  0 114 ARG FFF CD  1 ? 11 
ATOM   3432 N NE  . ARG C 3 113 ? 32.289 0.784   -0.049  1.000 60.256  0 114 ARG FFF NE  1 ? 11 
ATOM   3433 C CZ  . ARG C 3 113 ? 31.127 1.191   -0.548  1.000 62.359  0 114 ARG FFF CZ  1 ? 11 
ATOM   3434 N NH1 . ARG C 3 113 ? 30.821 0.915   -1.803  1.000 61.395  0 114 ARG FFF NH1 1 ? 11 
ATOM   3435 N NH2 . ARG C 3 113 ? 30.271 1.864   0.203   1.000 65.358  0 114 ARG FFF NH2 1 ? 11 
ATOM   3436 N N   . ALA C 3 114 ? 34.443 -4.893  1.994   1.000 51.946  0 115 ALA FFF N   1 ? 11 
ATOM   3437 C CA  . ALA C 3 114 ? 34.170 -6.126  2.782   1.000 53.036  0 115 ALA FFF CA  1 ? 11 
ATOM   3438 C C   . ALA C 3 114 ? 35.387 -6.514  3.634   1.000 54.398  0 115 ALA FFF C   1 ? 11 
ATOM   3439 O O   . ALA C 3 114 ? 35.219 -6.706  4.868   1.000 55.463  0 115 ALA FFF O   1 ? 11 
ATOM   3440 C CB  . ALA C 3 114 ? 33.752 -7.249  1.872   1.000 52.044  0 115 ALA FFF CB  1 ? 11 
ATOM   3441 N N   . TRP C 3 115 ? 36.567 -6.655  3.023   1.000 54.098  0 116 TRP FFF N   1 ? 11 
ATOM   3442 C CA  . TRP C 3 115 ? 37.768 -7.214  3.708   1.000 56.330  0 116 TRP FFF CA  1 ? 11 
ATOM   3443 C C   . TRP C 3 115 ? 38.929 -6.207  3.658   1.000 55.844  0 116 TRP FFF C   1 ? 11 
ATOM   3444 O O   . TRP C 3 115 ? 39.194 -5.643  2.566   1.000 53.942  0 116 TRP FFF O   1 ? 11 
ATOM   3445 C CB  . TRP C 3 115 ? 38.112 -8.582  3.108   1.000 55.692  0 116 TRP FFF CB  1 ? 11 
ATOM   3446 C CG  . TRP C 3 115 ? 36.996 -9.566  3.284   1.000 57.402  0 116 TRP FFF CG  1 ? 11 
ATOM   3447 C CD1 . TRP C 3 115 ? 36.498 -10.023 4.470   1.000 59.625  0 116 TRP FFF CD1 1 ? 11 
ATOM   3448 C CD2 . TRP C 3 115 ? 36.223 -10.214 2.253   1.000 56.686  0 116 TRP FFF CD2 1 ? 11 
ATOM   3449 N NE1 . TRP C 3 115 ? 35.475 -10.906 4.250   1.000 60.571  0 116 TRP FFF NE1 1 ? 11 
ATOM   3450 C CE2 . TRP C 3 115 ? 35.279 -11.041 2.901   1.000 58.497  0 116 TRP FFF CE2 1 ? 11 
ATOM   3451 C CE3 . TRP C 3 115 ? 36.228 -10.178 0.855   1.000 55.812  0 116 TRP FFF CE3 1 ? 11 
ATOM   3452 C CZ2 . TRP C 3 115 ? 34.358 -11.821 2.201   1.000 58.110  0 116 TRP FFF CZ2 1 ? 11 
ATOM   3453 C CZ3 . TRP C 3 115 ? 35.316 -10.949 0.161   1.000 55.451  0 116 TRP FFF CZ3 1 ? 11 
ATOM   3454 C CH2 . TRP C 3 115 ? 34.397 -11.762 0.830   1.000 57.267  0 116 TRP FFF CH2 1 ? 11 
ATOM   3455 N N   . TRP C 3 116 ? 39.596 -6.011  4.800   1.000 55.504  0 117 TRP FFF N   1 ? 11 
ATOM   3456 C CA  . TRP C 3 116 ? 40.537 -4.889  5.076   1.000 55.728  0 117 TRP FFF CA  1 ? 11 
ATOM   3457 C C   . TRP C 3 116 ? 41.866 -5.400  5.634   1.000 57.100  0 117 TRP FFF C   1 ? 11 
ATOM   3458 O O   . TRP C 3 116 ? 41.825 -6.303  6.491   1.000 57.018  0 117 TRP FFF O   1 ? 11 
ATOM   3459 C CB  . TRP C 3 116 ? 39.909 -3.936  6.098   1.000 57.369  0 117 TRP FFF CB  1 ? 11 
ATOM   3460 C CG  . TRP C 3 116 ? 38.663 -3.279  5.605   1.000 57.355  0 117 TRP FFF CG  1 ? 11 
ATOM   3461 C CD1 . TRP C 3 116 ? 37.401 -3.795  5.603   1.000 58.030  0 117 TRP FFF CD1 1 ? 11 
ATOM   3462 C CD2 . TRP C 3 116 ? 38.569 -1.972  5.016   1.000 56.731  0 117 TRP FFF CD2 1 ? 11 
ATOM   3463 N NE1 . TRP C 3 116 ? 36.528 -2.896  5.052   1.000 57.884  0 117 TRP FFF NE1 1 ? 11 
ATOM   3464 C CE2 . TRP C 3 116 ? 37.213 -1.769  4.686   1.000 56.536  0 117 TRP FFF CE2 1 ? 11 
ATOM   3465 C CE3 . TRP C 3 116 ? 39.494 -0.953  4.751   1.000 56.685  0 117 TRP FFF CE3 1 ? 11 
ATOM   3466 C CZ2 . TRP C 3 116 ? 36.762 -0.582  4.110   1.000 56.217  0 117 TRP FFF CZ2 1 ? 11 
ATOM   3467 C CZ3 . TRP C 3 116 ? 39.048 0.217   4.177   1.000 55.615  0 117 TRP FFF CZ3 1 ? 11 
ATOM   3468 C CH2 . TRP C 3 116 ? 37.699 0.396   3.861   1.000 55.529  0 117 TRP FFF CH2 1 ? 11 
ATOM   3469 N N   . GLY C 3 117 ? 42.983 -4.766  5.256   1.000 55.654  0 118 GLY FFF N   1 ? 11 
ATOM   3470 C CA  . GLY C 3 117 ? 44.254 -4.899  5.993   1.000 56.546  0 118 GLY FFF CA  1 ? 11 
ATOM   3471 C C   . GLY C 3 117 ? 44.239 -4.091  7.287   1.000 57.895  0 118 GLY FFF C   1 ? 11 
ATOM   3472 O O   . GLY C 3 117 ? 43.238 -3.388  7.549   1.000 56.337  0 118 GLY FFF O   1 ? 11 
ATOM   3473 N N   . GLN C 3 118 ? 45.296 -4.220  8.091   1.000 59.329  0 119 GLN FFF N   1 ? 11 
ATOM   3474 C CA  . GLN C 3 118 ? 45.478 -3.474  9.360   1.000 61.982  0 119 GLN FFF CA  1 ? 11 
ATOM   3475 C C   . GLN C 3 118 ? 45.932 -2.047  9.045   1.000 59.142  0 119 GLN FFF C   1 ? 11 
ATOM   3476 O O   . GLN C 3 118 ? 45.706 -1.158  9.888   1.000 58.300  0 119 GLN FFF O   1 ? 11 
ATOM   3477 C CB  . GLN C 3 118 ? 46.514 -4.151  10.255  1.000 66.371  0 119 GLN FFF CB  1 ? 11 
ATOM   3478 C CG  . GLN C 3 118 ? 46.243 -5.629  10.512  1.000 72.654  0 119 GLN FFF CG  1 ? 11 
ATOM   3479 C CD  . GLN C 3 118 ? 44.890 -5.897  11.131  1.000 77.189  0 119 GLN FFF CD  1 ? 11 
ATOM   3480 O OE1 . GLN C 3 118 ? 44.494 -5.254  12.103  1.000 80.520  0 119 GLN FFF OE1 1 ? 11 
ATOM   3481 N NE2 . GLN C 3 118 ? 44.171 -6.863  10.576  1.000 78.877  0 119 GLN FFF NE2 1 ? 11 
ATOM   3482 N N   . GLY C 3 119 ? 46.603 -1.854  7.907   1.000 56.220  0 120 GLY FFF N   1 ? 11 
ATOM   3483 C CA  . GLY C 3 119 ? 46.973 -0.520  7.398   1.000 55.745  0 120 GLY FFF CA  1 ? 11 
ATOM   3484 C C   . GLY C 3 119 ? 48.439 -0.201  7.625   1.000 55.017  0 120 GLY FFF C   1 ? 11 
ATOM   3485 O O   . GLY C 3 119 ? 49.071 -0.866  8.456   1.000 56.408  0 120 GLY FFF O   1 ? 11 
ATOM   3486 N N   . THR C 3 120 ? 48.956 0.790   6.897   1.000 53.266  0 121 THR FFF N   1 ? 11 
ATOM   3487 C CA  . THR C 3 120 ? 50.367 1.252   6.963   1.000 53.470  0 121 THR FFF CA  1 ? 11 
ATOM   3488 C C   . THR C 3 120 ? 50.349 2.783   7.081   1.000 52.723  0 121 THR FFF C   1 ? 11 
ATOM   3489 O O   . THR C 3 120 ? 49.613 3.424   6.305   1.000 51.010  0 121 THR FFF O   1 ? 11 
ATOM   3490 C CB  . THR C 3 120 ? 51.167 0.701   5.770   1.000 52.997  0 121 THR FFF CB  1 ? 11 
ATOM   3491 O OG1 . THR C 3 120 ? 52.559 0.968   5.944   1.000 53.635  0 121 THR FFF OG1 1 ? 11 
ATOM   3492 C CG2 . THR C 3 120 ? 50.721 1.262   4.435   1.000 52.119  0 121 THR FFF CG2 1 ? 11 
ATOM   3493 N N   . GLN C 3 121 ? 51.113 3.329   8.027   1.000 52.655  0 122 GLN FFF N   1 ? 11 
ATOM   3494 C CA  . GLN C 3 121 ? 51.204 4.789   8.297   1.000 53.180  0 122 GLN FFF CA  1 ? 11 
ATOM   3495 C C   . GLN C 3 121 ? 52.068 5.437   7.217   1.000 51.888  0 122 GLN FFF C   1 ? 11 
ATOM   3496 O O   . GLN C 3 121 ? 53.178 4.931   6.967   1.000 51.747  0 122 GLN FFF O   1 ? 11 
ATOM   3497 C CB  . GLN C 3 121 ? 51.822 5.067   9.666   1.000 54.960  0 122 GLN FFF CB  1 ? 11 
ATOM   3498 C CG  . GLN C 3 121 ? 52.073 6.547   9.939   1.000 56.263  0 122 GLN FFF CG  1 ? 11 
ATOM   3499 C CD  . GLN C 3 121 ? 50.797 7.344   10.067  1.000 57.044  0 122 GLN FFF CD  1 ? 11 
ATOM   3500 O OE1 . GLN C 3 121 ? 49.795 6.867   10.602  1.000 57.352  0 122 GLN FFF OE1 1 ? 11 
ATOM   3501 N NE2 . GLN C 3 121 ? 50.825 8.581   9.591   1.000 57.595  0 122 GLN FFF NE2 1 ? 11 
ATOM   3502 N N   . VAL C 3 122 ? 51.569 6.520   6.619   1.000 50.761  0 123 VAL FFF N   1 ? 11 
ATOM   3503 C CA  . VAL C 3 122 ? 52.325 7.389   5.674   1.000 50.355  0 123 VAL FFF CA  1 ? 11 
ATOM   3504 C C   . VAL C 3 122 ? 52.391 8.788   6.286   1.000 51.405  0 123 VAL FFF C   1 ? 11 
ATOM   3505 O O   . VAL C 3 122 ? 51.316 9.391   6.502   1.000 51.121  0 123 VAL FFF O   1 ? 11 
ATOM   3506 C CB  . VAL C 3 122 ? 51.672 7.423   4.283   1.000 48.911  0 123 VAL FFF CB  1 ? 11 
ATOM   3507 C CG1 . VAL C 3 122 ? 52.383 8.399   3.352   1.000 48.632  0 123 VAL FFF CG1 1 ? 11 
ATOM   3508 C CG2 . VAL C 3 122 ? 51.602 6.033   3.668   1.000 48.103  0 123 VAL FFF CG2 1 ? 11 
ATOM   3509 N N   . THR C 3 123 ? 53.607 9.263   6.558   1.000 52.440  0 124 THR FFF N   1 ? 11 
ATOM   3510 C CA  . THR C 3 123 ? 53.878 10.595  7.150   1.000 53.749  0 124 THR FFF CA  1 ? 11 
ATOM   3511 C C   . THR C 3 123 ? 54.738 11.419  6.192   1.000 54.136  0 124 THR FFF C   1 ? 11 
ATOM   3512 O O   . THR C 3 123 ? 55.892 11.032  5.947   1.000 54.222  0 124 THR FFF O   1 ? 11 
ATOM   3513 C CB  . THR C 3 123 ? 54.545 10.441  8.515   1.000 54.712  0 124 THR FFF CB  1 ? 11 
ATOM   3514 O OG1 . THR C 3 123 ? 53.645 9.651   9.291   1.000 54.670  0 124 THR FFF OG1 1 ? 11 
ATOM   3515 C CG2 . THR C 3 123 ? 54.831 11.769  9.181   1.000 55.671  0 124 THR FFF CG2 1 ? 11 
ATOM   3516 N N   . VAL C 3 124 ? 54.189 12.527  5.696   1.000 55.506  0 125 VAL FFF N   1 ? 11 
ATOM   3517 C CA  . VAL C 3 124 ? 54.898 13.500  4.815   1.000 57.147  0 125 VAL FFF CA  1 ? 11 
ATOM   3518 C C   . VAL C 3 124 ? 55.241 14.735  5.665   1.000 59.274  0 125 VAL FFF C   1 ? 11 
ATOM   3519 O O   . VAL C 3 124 ? 54.301 15.469  6.025   1.000 59.518  0 125 VAL FFF O   1 ? 11 
ATOM   3520 C CB  . VAL C 3 124 ? 54.046 13.865  3.583   1.000 56.569  0 125 VAL FFF CB  1 ? 11 
ATOM   3521 C CG1 . VAL C 3 124 ? 54.823 14.738  2.612   1.000 57.444  0 125 VAL FFF CG1 1 ? 11 
ATOM   3522 C CG2 . VAL C 3 124 ? 53.499 12.633  2.871   1.000 55.186  0 125 VAL FFF CG2 1 ? 11 
ATOM   3523 N N   . SER C 3 125 ? 56.523 14.936  5.996   1.000 62.261  0 126 SER FFF N   1 ? 11 
ATOM   3524 C CA  . SER C 3 125 ? 57.017 16.045  6.864   1.000 65.658  0 126 SER FFF CA  1 ? 11 
ATOM   3525 C C   . SER C 3 125 ? 58.552 16.132  6.817   1.000 68.011  0 126 SER FFF C   1 ? 11 
ATOM   3526 O O   . SER C 3 125 ? 59.152 15.504  5.935   1.000 69.434  0 126 SER FFF O   1 ? 11 
ATOM   3527 C CB  . SER C 3 125 ? 56.532 15.859  8.292   1.000 67.599  0 126 SER FFF CB  1 ? 11 
ATOM   3528 O OG  . SER C 3 125 ? 57.393 14.991  9.024   1.000 68.157  0 126 SER FFF OG  1 ? 11 
ATOM   3529 N N   . SER C 3 126 ? 59.162 16.864  7.761   1.000 71.286  0 127 SER FFF N   1 ? 11 
ATOM   3530 C CA  . SER C 3 126 ? 60.618 16.816  8.065   1.000 71.481  0 127 SER FFF CA  1 ? 11 
ATOM   3531 C C   . SER C 3 126 ? 60.896 15.710  9.092   1.000 70.642  0 127 SER FFF C   1 ? 11 
ATOM   3532 O O   . SER C 3 126 ? 61.971 15.633  9.692   1.000 73.496  0 127 SER FFF O   1 ? 11 
ATOM   3533 C CB  . SER C 3 126 ? 61.102 18.162  8.524   1.000 73.774  0 127 SER FFF CB  1 ? 11 
ATOM   3534 O OG  . SER C 3 126 ? 60.946 19.114  7.481   1.000 73.907  0 127 SER FFF OG  1 ? 11 
HETATM 3535 C C1  . NAG D 4 .   ? 17.355 11.146  -39.014 1.000 35.590  0 601 NAG EEE C1  1 ? ?  
HETATM 3536 C C2  . NAG D 4 .   ? 17.576 10.306  -40.270 1.000 38.572  0 601 NAG EEE C2  1 ? ?  
HETATM 3537 C C3  . NAG D 4 .   ? 18.188 11.153  -41.377 1.000 41.337  0 601 NAG EEE C3  1 ? ?  
HETATM 3538 C C4  . NAG D 4 .   ? 17.326 12.382  -41.624 1.000 44.937  0 601 NAG EEE C4  1 ? ?  
HETATM 3539 C C5  . NAG D 4 .   ? 17.135 13.166  -40.326 1.000 46.397  0 601 NAG EEE C5  1 ? ?  
HETATM 3540 C C6  . NAG D 4 .   ? 16.212 14.371  -40.518 1.000 43.955  0 601 NAG EEE C6  1 ? ?  
HETATM 3541 C C7  . NAG D 4 .   ? 18.209 7.969   -40.512 1.000 41.175  0 601 NAG EEE C7  1 ? ?  
HETATM 3542 C C8  . NAG D 4 .   ? 19.202 6.910   -40.139 1.000 38.023  0 601 NAG EEE C8  1 ? ?  
HETATM 3543 N N2  . NAG D 4 .   ? 18.437 9.177   -39.996 1.000 36.105  0 601 NAG EEE N2  1 ? ?  
HETATM 3544 O O3  . NAG D 4 .   ? 18.218 10.360  -42.569 1.000 42.236  0 601 NAG EEE O3  1 ? ?  
HETATM 3545 O O4  . NAG D 4 .   ? 17.917 13.163  -42.663 1.000 44.318  0 601 NAG EEE O4  1 ? ?  
HETATM 3546 O O5  . NAG D 4 .   ? 16.543 12.278  -39.369 1.000 40.607  0 601 NAG EEE O5  1 ? ?  
HETATM 3547 O O6  . NAG D 4 .   ? 15.848 14.913  -39.239 1.000 37.010  0 601 NAG EEE O6  1 ? ?  
HETATM 3548 O O7  . NAG D 4 .   ? 17.259 7.717   -41.238 1.000 44.343  0 601 NAG EEE O7  1 ? ?  
HETATM 3549 C C1  . GOL E 5 .   ? 24.378 11.587  -36.213 1.000 42.174  0 602 GOL EEE C1  1 ? ?  
HETATM 3550 O O1  . GOL E 5 .   ? 25.707 11.653  -35.668 1.000 28.935  0 602 GOL EEE O1  1 ? ?  
HETATM 3551 C C2  . GOL E 5 .   ? 23.353 11.031  -35.234 1.000 47.037  0 602 GOL EEE C2  1 ? ?  
HETATM 3552 O O2  . GOL E 5 .   ? 22.424 12.047  -34.857 1.000 53.959  0 602 GOL EEE O2  1 ? ?  
HETATM 3553 C C3  . GOL E 5 .   ? 22.574 9.835   -35.753 1.000 47.077  0 602 GOL EEE C3  1 ? ?  
HETATM 3554 O O3  . GOL E 5 .   ? 21.163 10.050  -35.727 1.000 39.476  0 602 GOL EEE O3  1 ? ?  
HETATM 3555 C C1  . GOL F 5 .   ? 33.876 17.226  -37.704 1.000 49.262  0 603 GOL EEE C1  1 ? ?  
HETATM 3556 O O1  . GOL F 5 .   ? 34.920 18.003  -37.124 1.000 66.073  0 603 GOL EEE O1  1 ? ?  
HETATM 3557 C C2  . GOL F 5 .   ? 32.547 17.394  -36.992 1.000 51.817  0 603 GOL EEE C2  1 ? ?  
HETATM 3558 O O2  . GOL F 5 .   ? 32.133 18.760  -36.998 1.000 46.950  0 603 GOL EEE O2  1 ? ?  
HETATM 3559 C C3  . GOL F 5 .   ? 31.462 16.533  -37.609 1.000 47.869  0 603 GOL EEE C3  1 ? ?  
HETATM 3560 O O3  . GOL F 5 .   ? 30.187 17.170  -37.586 1.000 37.312  0 603 GOL EEE O3  1 ? ?  
HETATM 3561 C C1  . GOL G 5 .   ? 36.372 -10.521 -40.634 1.000 55.818  0 201 GOL BBB C1  1 ? ?  
HETATM 3562 O O1  . GOL G 5 .   ? 35.613 -10.295 -39.448 1.000 49.907  0 201 GOL BBB O1  1 ? ?  
HETATM 3563 C C2  . GOL G 5 .   ? 36.243 -11.944 -41.141 1.000 64.404  0 201 GOL BBB C2  1 ? ?  
HETATM 3564 O O2  . GOL G 5 .   ? 35.186 -12.036 -42.098 1.000 66.574  0 201 GOL BBB O2  1 ? ?  
HETATM 3565 C C3  . GOL G 5 .   ? 37.522 -12.465 -41.764 1.000 63.442  0 201 GOL BBB C3  1 ? ?  
HETATM 3566 O O3  . GOL G 5 .   ? 38.441 -12.941 -40.783 1.000 67.111  0 201 GOL BBB O3  1 ? ?  
HETATM 3567 O O   . HOH H 6 .   ? 22.437 -0.735  -54.003 1.000 52.314  0 701 HOH EEE O   1 ? ?  
HETATM 3568 O O   . HOH H 6 .   ? 15.995 -14.299 -34.208 1.000 53.957  0 702 HOH EEE O   1 ? ?  
HETATM 3569 O O   . HOH H 6 .   ? 28.084 20.269  -15.470 1.000 36.084  0 703 HOH EEE O   1 ? ?  
HETATM 3570 O O   . HOH H 6 .   ? 9.526  3.437   -50.497 1.000 42.172  0 704 HOH EEE O   1 ? ?  
HETATM 3571 O O   . HOH H 6 .   ? 21.960 -3.846  -54.057 1.000 60.313  0 705 HOH EEE O   1 ? ?  
HETATM 3572 O O   . HOH H 6 .   ? 31.800 -3.880  -0.368  1.000 39.890  0 706 HOH EEE O   1 ? ?  
HETATM 3573 O O   . HOH H 6 .   ? 18.085 15.914  -38.652 1.000 48.898  0 707 HOH EEE O   1 ? ?  
HETATM 3574 O O   . HOH H 6 .   ? 18.555 -15.134 -40.294 1.000 28.818  0 708 HOH EEE O   1 ? ?  
HETATM 3575 O O   . HOH H 6 .   ? 17.137 -15.006 -36.546 1.000 41.580  0 709 HOH EEE O   1 ? ?  
HETATM 3576 O O   . HOH H 6 .   ? 25.367 -11.175 -48.421 1.000 31.243  0 710 HOH EEE O   1 ? ?  
HETATM 3577 O O   . HOH H 6 .   ? 18.846 9.749   -31.601 1.000 35.967  0 711 HOH EEE O   1 ? ?  
HETATM 3578 O O   . HOH H 6 .   ? 29.819 2.466   -15.968 1.000 41.511  0 712 HOH EEE O   1 ? ?  
HETATM 3579 O O   . HOH H 6 .   ? 27.758 1.735   -47.509 1.000 54.611  0 713 HOH EEE O   1 ? ?  
HETATM 3580 O O   . HOH H 6 .   ? 37.764 -6.434  -31.125 1.000 34.041  0 714 HOH EEE O   1 ? ?  
HETATM 3581 O O   . HOH H 6 .   ? 33.051 -11.302 -27.718 1.000 27.055  0 715 HOH EEE O   1 ? ?  
HETATM 3582 O O   . HOH H 6 .   ? 22.401 -6.187  -33.199 1.000 27.342  0 716 HOH EEE O   1 ? ?  
HETATM 3583 O O   . HOH H 6 .   ? 27.955 3.286   -8.628  1.000 37.486  0 717 HOH EEE O   1 ? ?  
HETATM 3584 O O   . HOH H 6 .   ? 19.607 -8.835  -10.295 1.000 38.194  0 718 HOH EEE O   1 ? ?  
HETATM 3585 O O   . HOH H 6 .   ? 30.176 -14.849 -22.030 1.000 42.101  0 719 HOH EEE O   1 ? ?  
HETATM 3586 O O   . HOH H 6 .   ? 21.938 -4.742  -43.929 1.000 25.258  0 720 HOH EEE O   1 ? ?  
HETATM 3587 O O   . HOH H 6 .   ? 36.314 0.772   -21.292 1.000 26.645  0 721 HOH EEE O   1 ? ?  
HETATM 3588 O O   . HOH H 6 .   ? 24.105 10.851  -47.198 1.000 37.711  0 722 HOH EEE O   1 ? ?  
HETATM 3589 O O   . HOH H 6 .   ? 37.213 -1.741  -29.400 1.000 27.219  0 723 HOH EEE O   1 ? ?  
HETATM 3590 O O   . HOH H 6 .   ? 17.410 10.560  -19.915 1.000 43.015  0 724 HOH EEE O   1 ? ?  
HETATM 3591 O O   . HOH H 6 .   ? 21.702 -6.685  -19.982 1.000 29.334  0 725 HOH EEE O   1 ? ?  
HETATM 3592 O O   . HOH H 6 .   ? 37.978 5.849   -15.104 1.000 47.007  0 726 HOH EEE O   1 ? ?  
HETATM 3593 O O   . HOH H 6 .   ? 27.304 13.820  -31.641 1.000 29.787  0 727 HOH EEE O   1 ? ?  
HETATM 3594 O O   . HOH H 6 .   ? 18.896 -11.280 -1.011  1.000 47.134  0 728 HOH EEE O   1 ? ?  
HETATM 3595 O O   . HOH H 6 .   ? 38.304 -3.754  -20.514 1.000 37.855  0 729 HOH EEE O   1 ? ?  
HETATM 3596 O O   . HOH H 6 .   ? 23.059 11.438  -39.337 1.000 33.382  0 730 HOH EEE O   1 ? ?  
HETATM 3597 O O   . HOH H 6 .   ? 37.403 -3.597  -33.023 1.000 35.823  0 731 HOH EEE O   1 ? ?  
HETATM 3598 O O   . HOH H 6 .   ? 35.201 -16.601 -25.715 1.000 38.373  0 732 HOH EEE O   1 ? ?  
HETATM 3599 O O   . HOH H 6 .   ? 23.131 -8.485  -10.930 1.000 31.694  0 733 HOH EEE O   1 ? ?  
HETATM 3600 O O   . HOH H 6 .   ? 22.001 -10.745 -12.274 1.000 34.842  0 734 HOH EEE O   1 ? ?  
HETATM 3601 O O   . HOH H 6 .   ? 22.589 -6.345  -17.388 1.000 31.505  0 735 HOH EEE O   1 ? ?  
HETATM 3602 O O   . HOH H 6 .   ? 31.260 -4.910  -9.445  1.000 40.411  0 736 HOH EEE O   1 ? ?  
HETATM 3603 O O   . HOH H 6 .   ? 24.200 11.562  -43.580 1.000 30.769  0 737 HOH EEE O   1 ? ?  
HETATM 3604 O O   . HOH H 6 .   ? 30.268 -6.328  -25.864 1.000 26.227  0 738 HOH EEE O   1 ? ?  
HETATM 3605 O O   . HOH H 6 .   ? 26.187 13.080  -11.095 1.000 43.447  0 739 HOH EEE O   1 ? ?  
HETATM 3606 O O   . HOH H 6 .   ? 31.401 -11.646 -11.957 1.000 43.476  0 740 HOH EEE O   1 ? ?  
HETATM 3607 O O   . HOH H 6 .   ? 30.920 -12.045 -43.541 1.000 42.320  0 741 HOH EEE O   1 ? ?  
HETATM 3608 O O   . HOH H 6 .   ? 32.601 -10.591 -21.684 1.000 25.744  0 742 HOH EEE O   1 ? ?  
HETATM 3609 O O   . HOH H 6 .   ? 14.815 -0.416  -22.204 1.000 40.662  0 743 HOH EEE O   1 ? ?  
HETATM 3610 O O   . HOH H 6 .   ? 36.943 7.794   -32.218 1.000 26.074  0 744 HOH EEE O   1 ? ?  
HETATM 3611 O O   . HOH H 6 .   ? 33.296 -1.417  -32.408 1.000 22.762  0 745 HOH EEE O   1 ? ?  
HETATM 3612 O O   . HOH H 6 .   ? 32.749 -8.284  -26.461 1.000 25.426  0 746 HOH EEE O   1 ? ?  
HETATM 3613 O O   . HOH H 6 .   ? 17.784 12.610  -13.929 1.000 48.844  0 747 HOH EEE O   1 ? ?  
HETATM 3614 O O   . HOH H 6 .   ? 32.645 0.846   -33.765 1.000 24.848  0 748 HOH EEE O   1 ? ?  
HETATM 3615 O O   . HOH H 6 .   ? 31.790 -13.133 -14.071 1.000 42.572  0 749 HOH EEE O   1 ? ?  
HETATM 3616 O O   . HOH H 6 .   ? 30.609 12.094  -31.475 1.000 21.669  0 750 HOH EEE O   1 ? ?  
HETATM 3617 O O   . HOH H 6 .   ? 22.550 3.369   -19.766 1.000 29.226  0 751 HOH EEE O   1 ? ?  
HETATM 3618 O O   . HOH H 6 .   ? 31.299 2.571   -13.700 1.000 47.014  0 752 HOH EEE O   1 ? ?  
HETATM 3619 O O   . HOH H 6 .   ? 35.694 3.963   -25.921 1.000 22.669  0 753 HOH EEE O   1 ? ?  
HETATM 3620 O O   . HOH H 6 .   ? 17.142 -0.574  -31.096 1.000 23.932  0 754 HOH EEE O   1 ? ?  
HETATM 3621 O O   . HOH H 6 .   ? 30.297 17.629  -25.143 1.000 34.206  0 755 HOH EEE O   1 ? ?  
HETATM 3622 O O   . HOH H 6 .   ? 16.994 3.377   -31.091 1.000 28.450  0 756 HOH EEE O   1 ? ?  
HETATM 3623 O O   . HOH H 6 .   ? 15.486 3.862   -28.838 1.000 32.204  0 757 HOH EEE O   1 ? ?  
HETATM 3624 O O   . HOH H 6 .   ? 30.764 12.074  -44.047 1.000 34.751  0 758 HOH EEE O   1 ? ?  
HETATM 3625 O O   . HOH H 6 .   ? 32.845 -13.763 -38.196 1.000 31.920  0 759 HOH EEE O   1 ? ?  
HETATM 3626 O O   . HOH H 6 .   ? 21.717 -5.195  -46.624 1.000 39.857  0 760 HOH EEE O   1 ? ?  
HETATM 3627 O O   . HOH H 6 .   ? 33.852 13.777  -35.859 1.000 36.059  0 761 HOH EEE O   1 ? ?  
HETATM 3628 O O   . HOH H 6 .   ? 24.154 -8.772  -24.916 1.000 27.816  0 762 HOH EEE O   1 ? ?  
HETATM 3629 O O   . HOH H 6 .   ? 33.590 1.543   -17.041 1.000 31.761  0 763 HOH EEE O   1 ? ?  
HETATM 3630 O O   . HOH H 6 .   ? 29.815 8.697   -16.856 1.000 34.596  0 764 HOH EEE O   1 ? ?  
HETATM 3631 O O   . HOH H 6 .   ? 17.605 4.576   -45.108 1.000 43.362  0 765 HOH EEE O   1 ? ?  
HETATM 3632 O O   . HOH H 6 .   ? 30.347 -11.196 -21.341 1.000 25.794  0 766 HOH EEE O   1 ? ?  
HETATM 3633 O O   . HOH H 6 .   ? 26.474 -13.752 -39.348 1.000 33.814  0 767 HOH EEE O   1 ? ?  
HETATM 3634 O O   . HOH H 6 .   ? 20.814 9.660   -38.486 1.000 30.841  0 768 HOH EEE O   1 ? ?  
HETATM 3635 O O   . HOH H 6 .   ? 37.621 12.125  -20.397 1.000 37.264  0 769 HOH EEE O   1 ? ?  
HETATM 3636 O O   . HOH H 6 .   ? 23.658 4.910   -8.843  1.000 46.029  0 770 HOH EEE O   1 ? ?  
HETATM 3637 O O   . HOH H 6 .   ? 14.200 -16.160 -44.444 1.000 41.216  0 771 HOH EEE O   1 ? ?  
HETATM 3638 O O   . HOH H 6 .   ? 35.801 8.126   -25.154 1.000 34.303  0 772 HOH EEE O   1 ? ?  
HETATM 3639 O O   . HOH H 6 .   ? 26.079 16.017  -27.764 1.000 35.149  0 773 HOH EEE O   1 ? ?  
HETATM 3640 O O   . HOH H 6 .   ? 14.087 9.528   -39.056 1.000 37.821  0 774 HOH EEE O   1 ? ?  
HETATM 3641 O O   . HOH H 6 .   ? 24.882 -15.927 -39.596 1.000 26.567  0 775 HOH EEE O   1 ? ?  
HETATM 3642 O O   . HOH H 6 .   ? 25.572 13.569  -33.571 1.000 30.011  0 776 HOH EEE O   1 ? ?  
HETATM 3643 O O   . HOH H 6 .   ? 34.594 -1.369  -17.534 1.000 32.516  0 777 HOH EEE O   1 ? ?  
HETATM 3644 O O   . HOH H 6 .   ? 37.787 -9.270  -16.922 1.000 45.508  0 778 HOH EEE O   1 ? ?  
HETATM 3645 O O   . HOH H 6 .   ? 18.498 -12.654 -22.869 1.000 34.048  0 779 HOH EEE O   1 ? ?  
HETATM 3646 O O   . HOH H 6 .   ? 17.819 -24.568 -43.104 1.000 46.853  0 780 HOH EEE O   1 ? ?  
HETATM 3647 O O   . HOH H 6 .   ? 27.255 -9.238  1.925   1.000 48.165  0 781 HOH EEE O   1 ? ?  
HETATM 3648 O O   . HOH H 6 .   ? 38.716 -5.715  -23.540 1.000 37.937  0 782 HOH EEE O   1 ? ?  
HETATM 3649 O O   . HOH H 6 .   ? 30.097 -8.423  -9.773  1.000 37.635  0 783 HOH EEE O   1 ? ?  
HETATM 3650 O O   . HOH H 6 .   ? 10.923 3.503   -44.160 1.000 40.011  0 784 HOH EEE O   1 ? ?  
HETATM 3651 O O   . HOH H 6 .   ? 17.098 2.420   -27.425 1.000 26.435  0 785 HOH EEE O   1 ? ?  
HETATM 3652 O O   . HOH H 6 .   ? 13.917 -4.640  -26.960 1.000 41.691  0 786 HOH EEE O   1 ? ?  
HETATM 3653 O O   . HOH H 6 .   ? 11.305 -5.545  -33.503 1.000 39.897  0 787 HOH EEE O   1 ? ?  
HETATM 3654 O O   . HOH H 6 .   ? 10.639 -3.885  -51.421 1.000 50.558  0 788 HOH EEE O   1 ? ?  
HETATM 3655 O O   . HOH H 6 .   ? 16.127 -10.486 -16.783 1.000 41.023  0 789 HOH EEE O   1 ? ?  
HETATM 3656 O O   . HOH H 6 .   ? 24.866 -15.391 -18.115 1.000 40.988  0 790 HOH EEE O   1 ? ?  
HETATM 3657 O O   . HOH H 6 .   ? 13.994 5.440   -42.014 1.000 47.090  0 791 HOH EEE O   1 ? ?  
HETATM 3658 O O   . HOH H 6 .   ? 16.660 1.882   -45.477 1.000 33.656  0 792 HOH EEE O   1 ? ?  
HETATM 3659 O O   . HOH H 6 .   ? 35.894 -0.393  -31.487 1.000 27.779  0 793 HOH EEE O   1 ? ?  
HETATM 3660 O O   . HOH H 6 .   ? 23.093 -0.069  -3.376  1.000 44.634  0 794 HOH EEE O   1 ? ?  
HETATM 3661 O O   . HOH H 6 .   ? 17.506 11.944  -22.387 1.000 41.247  0 795 HOH EEE O   1 ? ?  
HETATM 3662 O O   . HOH H 6 .   ? 15.859 1.466   -20.637 1.000 33.938  0 796 HOH EEE O   1 ? ?  
HETATM 3663 O O   . HOH H 6 .   ? 15.128 -9.498  -21.665 1.000 39.331  0 797 HOH EEE O   1 ? ?  
HETATM 3664 O O   . HOH H 6 .   ? 30.077 -8.996  4.740   1.000 56.232  0 798 HOH EEE O   1 ? ?  
HETATM 3665 O O   . HOH H 6 .   ? 32.019 -6.737  -47.807 1.000 26.464  0 799 HOH EEE O   1 ? ?  
HETATM 3666 O O   . HOH H 6 .   ? 13.974 0.355   -24.814 1.000 56.902  0 800 HOH EEE O   1 ? ?  
HETATM 3667 O O   . HOH H 6 .   ? 34.557 14.019  -15.393 1.000 41.303  0 801 HOH EEE O   1 ? ?  
HETATM 3668 O O   . HOH H 6 .   ? 25.639 -12.170 -5.115  1.000 45.634  0 802 HOH EEE O   1 ? ?  
HETATM 3669 O O   . HOH H 6 .   ? 21.017 -12.357 -32.294 1.000 49.692  0 803 HOH EEE O   1 ? ?  
HETATM 3670 O O   . HOH H 6 .   ? 16.368 5.384   -43.050 1.000 44.572  0 804 HOH EEE O   1 ? ?  
HETATM 3671 O O   . HOH H 6 .   ? 12.372 5.118   -40.084 1.000 38.025  0 805 HOH EEE O   1 ? ?  
HETATM 3672 O O   . HOH H 6 .   ? 37.240 16.472  -21.285 1.000 39.649  0 806 HOH EEE O   1 ? ?  
HETATM 3673 O O   . HOH H 6 .   ? 24.909 -10.475 -51.047 1.000 47.798  0 807 HOH EEE O   1 ? ?  
HETATM 3674 O O   . HOH H 6 .   ? 19.058 -12.924 -15.960 1.000 48.133  0 808 HOH EEE O   1 ? ?  
HETATM 3675 O O   . HOH H 6 .   ? 16.083 -11.789 -30.708 1.000 43.392  0 809 HOH EEE O   1 ? ?  
HETATM 3676 O O   . HOH H 6 .   ? 11.837 -3.975  -40.538 1.000 41.830  0 810 HOH EEE O   1 ? ?  
HETATM 3677 O O   . HOH H 6 .   ? 21.875 -6.055  -52.437 1.000 46.838  0 811 HOH EEE O   1 ? ?  
HETATM 3678 O O   . HOH H 6 .   ? 31.892 11.316  -46.436 1.000 43.326  0 812 HOH EEE O   1 ? ?  
HETATM 3679 O O   . HOH H 6 .   ? 23.121 15.262  -28.424 1.000 36.020  0 813 HOH EEE O   1 ? ?  
HETATM 3680 O O   . HOH H 6 .   ? 12.145 -1.846  -30.902 1.000 55.733  0 814 HOH EEE O   1 ? ?  
HETATM 3681 O O   . HOH H 6 .   ? 35.453 2.188   -31.093 1.000 43.213  0 815 HOH EEE O   1 ? ?  
HETATM 3682 O O   . HOH H 6 .   ? 31.411 17.709  -13.289 1.000 43.501  0 816 HOH EEE O   1 ? ?  
HETATM 3683 O O   . HOH H 6 .   ? 40.436 -4.861  -21.224 1.000 44.113  0 817 HOH EEE O   1 ? ?  
HETATM 3684 O O   . HOH H 6 .   ? 28.134 -14.801 -41.035 1.000 40.127  0 818 HOH EEE O   1 ? ?  
HETATM 3685 O O   . HOH H 6 .   ? 36.377 3.432   -28.870 1.000 35.911  0 819 HOH EEE O   1 ? ?  
HETATM 3686 O O   . HOH H 6 .   ? 35.543 14.845  -38.734 1.000 43.152  0 820 HOH EEE O   1 ? ?  
HETATM 3687 O O   . HOH H 6 .   ? 36.079 -16.009 -32.966 1.000 43.820  0 821 HOH EEE O   1 ? ?  
HETATM 3688 O O   . HOH H 6 .   ? 31.266 -9.358  -47.340 1.000 36.789  0 822 HOH EEE O   1 ? ?  
HETATM 3689 O O   . HOH H 6 .   ? 14.362 -5.007  -21.688 1.000 49.983  0 823 HOH EEE O   1 ? ?  
HETATM 3690 O O   . HOH H 6 .   ? 15.509 1.195   -32.369 1.000 36.909  0 824 HOH EEE O   1 ? ?  
HETATM 3691 O O   . HOH H 6 .   ? 28.380 18.561  -26.236 1.000 43.269  0 825 HOH EEE O   1 ? ?  
HETATM 3692 O O   . HOH H 6 .   ? 11.493 -5.351  -49.662 1.000 62.475  0 826 HOH EEE O   1 ? ?  
HETATM 3693 O O   . HOH H 6 .   ? 38.297 4.366   -25.473 1.000 47.544  0 827 HOH EEE O   1 ? ?  
HETATM 3694 O O   . HOH H 6 .   ? 33.422 12.365  -42.717 1.000 40.562  0 828 HOH EEE O   1 ? ?  
HETATM 3695 O O   . HOH H 6 .   ? 17.253 -17.641 -35.865 1.000 32.057  0 829 HOH EEE O   1 ? ?  
HETATM 3696 O O   . HOH H 6 .   ? 13.263 2.904   -24.578 1.000 53.771  0 830 HOH EEE O   1 ? ?  
HETATM 3697 O O   . HOH H 6 .   ? 23.478 -18.252 -25.947 1.000 55.660  0 831 HOH EEE O   1 ? ?  
HETATM 3698 O O   . HOH I 6 .   ? 37.260 -12.877 -30.303 1.000 46.469  0 301 HOH BBB O   1 ? ?  
HETATM 3699 O O   . HOH I 6 .   ? 41.283 8.061   -49.095 1.000 53.903  0 302 HOH BBB O   1 ? ?  
HETATM 3700 O O   . HOH I 6 .   ? 56.405 -1.855  -33.404 1.000 54.005  0 303 HOH BBB O   1 ? ?  
HETATM 3701 O O   . HOH I 6 .   ? 44.669 -17.910 -35.196 1.000 44.051  0 304 HOH BBB O   1 ? ?  
HETATM 3702 O O   . HOH I 6 .   ? 37.917 8.892   -42.396 1.000 35.151  0 305 HOH BBB O   1 ? ?  
HETATM 3703 O O   . HOH I 6 .   ? 36.246 -9.408  -49.688 1.000 36.209  0 306 HOH BBB O   1 ? ?  
HETATM 3704 O O   . HOH I 6 .   ? 45.536 -1.383  -54.047 1.000 33.913  0 307 HOH BBB O   1 ? ?  
HETATM 3705 O O   . HOH I 6 .   ? 44.126 10.941  -40.796 1.000 48.957  0 308 HOH BBB O   1 ? ?  
HETATM 3706 O O   . HOH I 6 .   ? 44.893 12.353  -38.243 1.000 42.630  0 309 HOH BBB O   1 ? ?  
HETATM 3707 O O   . HOH I 6 .   ? 63.782 3.106   -40.620 1.000 47.932  0 310 HOH BBB O   1 ? ?  
HETATM 3708 O O   . HOH I 6 .   ? 60.415 4.905   -57.511 1.000 38.034  0 311 HOH BBB O   1 ? ?  
HETATM 3709 O O   . HOH I 6 .   ? 36.810 -9.069  -37.397 1.000 40.240  0 312 HOH BBB O   1 ? ?  
HETATM 3710 O O   . HOH I 6 .   ? 57.088 12.141  -36.237 1.000 54.709  0 313 HOH BBB O   1 ? ?  
HETATM 3711 O O   . HOH I 6 .   ? 53.426 13.044  -50.056 1.000 41.801  0 314 HOH BBB O   1 ? ?  
HETATM 3712 O O   . HOH I 6 .   ? 56.942 5.365   -31.105 1.000 58.268  0 315 HOH BBB O   1 ? ?  
HETATM 3713 O O   . HOH I 6 .   ? 42.033 1.015   -53.844 1.000 42.040  0 316 HOH BBB O   1 ? ?  
HETATM 3714 O O   . HOH I 6 .   ? 33.194 -11.161 -38.575 1.000 36.995  0 317 HOH BBB O   1 ? ?  
HETATM 3715 O O   . HOH I 6 .   ? 65.725 2.213   -52.114 1.000 49.730  0 318 HOH BBB O   1 ? ?  
HETATM 3716 O O   . HOH I 6 .   ? 52.332 -3.896  -51.626 1.000 32.797  0 319 HOH BBB O   1 ? ?  
HETATM 3717 O O   . HOH I 6 .   ? 36.959 5.104   -32.198 1.000 26.582  0 320 HOH BBB O   1 ? ?  
HETATM 3718 O O   . HOH I 6 .   ? 40.988 9.959   -35.117 1.000 25.440  0 321 HOH BBB O   1 ? ?  
HETATM 3719 O O   . HOH I 6 .   ? 39.601 1.909   -32.117 1.000 29.396  0 322 HOH BBB O   1 ? ?  
HETATM 3720 O O   . HOH I 6 .   ? 37.673 -8.054  -46.705 1.000 28.720  0 323 HOH BBB O   1 ? ?  
HETATM 3721 O O   . HOH I 6 .   ? 38.956 0.359   -38.082 1.000 21.204  0 324 HOH BBB O   1 ? ?  
HETATM 3722 O O   . HOH I 6 .   ? 55.518 -1.271  -57.552 1.000 52.401  0 325 HOH BBB O   1 ? ?  
HETATM 3723 O O   . HOH I 6 .   ? 43.839 3.693   -30.447 1.000 51.177  0 326 HOH BBB O   1 ? ?  
HETATM 3724 O O   . HOH I 6 .   ? 35.033 1.923   -45.131 1.000 23.705  0 327 HOH BBB O   1 ? ?  
HETATM 3725 O O   . HOH I 6 .   ? 40.322 -11.069 -52.148 1.000 47.669  0 328 HOH BBB O   1 ? ?  
HETATM 3726 O O   . HOH I 6 .   ? 47.568 3.709   -54.948 1.000 41.991  0 329 HOH BBB O   1 ? ?  
HETATM 3727 O O   . HOH I 6 .   ? 56.336 10.108  -34.676 1.000 45.561  0 330 HOH BBB O   1 ? ?  
HETATM 3728 O O   . HOH I 6 .   ? 40.661 -4.305  -32.728 1.000 30.445  0 331 HOH BBB O   1 ? ?  
HETATM 3729 O O   . HOH I 6 .   ? 47.029 -8.239  -50.943 1.000 34.610  0 332 HOH BBB O   1 ? ?  
HETATM 3730 O O   . HOH I 6 .   ? 48.723 10.542  -47.175 1.000 54.272  0 333 HOH BBB O   1 ? ?  
HETATM 3731 O O   . HOH I 6 .   ? 52.676 -3.456  -31.339 1.000 45.885  0 334 HOH BBB O   1 ? ?  
HETATM 3732 O O   . HOH I 6 .   ? 57.533 18.519  -40.308 1.000 55.094  0 335 HOH BBB O   1 ? ?  
HETATM 3733 O O   . HOH I 6 .   ? 39.489 0.769   -40.694 1.000 23.823  0 336 HOH BBB O   1 ? ?  
HETATM 3734 O O   . HOH I 6 .   ? 34.652 12.641  -39.923 1.000 33.311  0 337 HOH BBB O   1 ? ?  
HETATM 3735 O O   . HOH I 6 .   ? 34.857 8.467   -44.831 1.000 44.507  0 338 HOH BBB O   1 ? ?  
HETATM 3736 O O   . HOH I 6 .   ? 41.231 5.096   -51.504 1.000 36.229  0 339 HOH BBB O   1 ? ?  
HETATM 3737 O O   . HOH I 6 .   ? 52.132 13.995  -40.713 1.000 43.481  0 340 HOH BBB O   1 ? ?  
HETATM 3738 O O   . HOH I 6 .   ? 36.950 11.410  -40.210 1.000 39.384  0 341 HOH BBB O   1 ? ?  
HETATM 3739 O O   . HOH I 6 .   ? 39.628 -1.585  -53.262 1.000 41.810  0 342 HOH BBB O   1 ? ?  
HETATM 3740 O O   . HOH I 6 .   ? 34.516 4.224   -46.143 1.000 34.241  0 343 HOH BBB O   1 ? ?  
HETATM 3741 O O   . HOH I 6 .   ? 49.239 -1.513  -29.804 1.000 40.100  0 344 HOH BBB O   1 ? ?  
HETATM 3742 O O   . HOH I 6 .   ? 44.851 11.744  -42.667 1.000 42.605  0 345 HOH BBB O   1 ? ?  
HETATM 3743 O O   . HOH I 6 .   ? 53.308 2.745   -58.258 1.000 51.302  0 346 HOH BBB O   1 ? ?  
HETATM 3744 O O   . HOH I 6 .   ? 35.129 -6.691  -48.867 1.000 37.239  0 347 HOH BBB O   1 ? ?  
HETATM 3745 O O   . HOH I 6 .   ? 60.406 12.706  -40.310 1.000 46.221  0 348 HOH BBB O   1 ? ?  
HETATM 3746 O O   . HOH I 6 .   ? 41.187 -13.654 -48.918 1.000 48.372  0 349 HOH BBB O   1 ? ?  
HETATM 3747 O O   . HOH I 6 .   ? 38.018 12.765  -38.074 1.000 46.948  0 350 HOH BBB O   1 ? ?  
HETATM 3748 O O   . HOH I 6 .   ? 40.864 -6.948  -31.139 1.000 41.464  0 351 HOH BBB O   1 ? ?  
HETATM 3749 O O   . HOH I 6 .   ? 52.790 13.579  -43.182 1.000 54.304  0 352 HOH BBB O   1 ? ?  
HETATM 3750 O O   . HOH I 6 .   ? 65.951 6.846   -41.759 1.000 52.115  0 353 HOH BBB O   1 ? ?  
HETATM 3751 O O   . HOH I 6 .   ? 44.759 6.940   -31.605 1.000 45.476  0 354 HOH BBB O   1 ? ?  
HETATM 3752 O O   . HOH I 6 .   ? 35.150 -5.817  -51.131 1.000 44.586  0 355 HOH BBB O   1 ? ?  
HETATM 3753 O O   . HOH I 6 .   ? 37.260 8.570   -44.891 1.000 51.856  0 356 HOH BBB O   1 ? ?  
HETATM 3754 O O   . HOH I 6 .   ? 40.293 1.135   -29.921 1.000 42.224  0 357 HOH BBB O   1 ? ?  
HETATM 3755 O O   . HOH I 6 .   ? 44.678 12.592  -35.631 1.000 41.971  0 358 HOH BBB O   1 ? ?  
HETATM 3756 O O   . HOH I 6 .   ? 46.990 9.617   -33.327 1.000 50.127  0 359 HOH BBB O   1 ? ?  
HETATM 3757 O O   . HOH I 6 .   ? 42.898 11.349  -33.722 1.000 32.912  0 360 HOH BBB O   1 ? ?  
HETATM 3758 O O   . HOH I 6 .   ? 44.700 9.932   -32.030 1.000 40.031  0 361 HOH BBB O   1 ? ?  
HETATM 3759 O O   . HOH J 6 .   ? 45.810 12.222  4.346   1.000 48.859  0 201 HOH FFF O   1 ? ?  
HETATM 3760 O O   . HOH J 6 .   ? 52.398 -5.757  2.178   1.000 52.896  0 202 HOH FFF O   1 ? ?  
HETATM 3761 O O   . HOH J 6 .   ? 55.435 -1.439  -1.035  1.000 52.387  0 203 HOH FFF O   1 ? ?  
HETATM 3762 O O   . HOH J 6 .   ? 51.243 1.161   -9.045  1.000 49.380  0 204 HOH FFF O   1 ? ?  
HETATM 3763 O O   . HOH J 6 .   ? 57.736 2.227   0.377   1.000 53.140  0 205 HOH FFF O   1 ? ?  
HETATM 3764 O O   . HOH J 6 .   ? 34.989 -11.735 -10.753 1.000 36.811  0 206 HOH FFF O   1 ? ?  
HETATM 3765 O O   . HOH J 6 .   ? 40.181 13.905  -3.194  1.000 47.388  0 207 HOH FFF O   1 ? ?  
HETATM 3766 O O   . HOH J 6 .   ? 42.636 -8.886  -11.959 1.000 42.000  0 208 HOH FFF O   1 ? ?  
HETATM 3767 O O   . HOH J 6 .   ? 44.155 -1.634  11.963  1.000 51.007  0 209 HOH FFF O   1 ? ?  
HETATM 3768 O O   . HOH J 6 .   ? 40.720 -1.573  -13.520 1.000 30.640  0 210 HOH FFF O   1 ? ?  
HETATM 3769 O O   . HOH J 6 .   ? 36.414 7.367   -7.324  1.000 35.542  0 211 HOH FFF O   1 ? ?  
HETATM 3770 O O   . HOH J 6 .   ? 43.194 5.189   -14.832 1.000 40.998  0 212 HOH FFF O   1 ? ?  
HETATM 3771 O O   . HOH J 6 .   ? 36.810 -1.227  -18.373 1.000 37.482  0 213 HOH FFF O   1 ? ?  
HETATM 3772 O O   . HOH J 6 .   ? 47.878 -3.386  -13.025 1.000 39.503  0 214 HOH FFF O   1 ? ?  
HETATM 3773 O O   . HOH J 6 .   ? 39.274 8.593   -11.285 1.000 43.675  0 215 HOH FFF O   1 ? ?  
HETATM 3774 O O   . HOH J 6 .   ? 40.659 10.776  6.464   1.000 58.166  0 216 HOH FFF O   1 ? ?  
HETATM 3775 O O   . HOH J 6 .   ? 33.473 1.050   -14.197 1.000 43.312  0 217 HOH FFF O   1 ? ?  
HETATM 3776 O O   . HOH J 6 .   ? 32.015 5.120   -12.570 1.000 37.092  0 218 HOH FFF O   1 ? ?  
HETATM 3777 O O   . HOH J 6 .   ? 56.679 -1.399  5.550   1.000 58.276  0 219 HOH FFF O   1 ? ?  
HETATM 3778 O O   . HOH J 6 .   ? 32.827 3.845   -2.253  1.000 45.913  0 220 HOH FFF O   1 ? ?  
HETATM 3779 O O   . HOH J 6 .   ? 30.893 -2.304  4.188   1.000 58.204  0 221 HOH FFF O   1 ? ?  
HETATM 3780 O O   . HOH J 6 .   ? 40.193 -9.627  -17.498 1.000 45.154  0 222 HOH FFF O   1 ? ?  
HETATM 3781 O O   . HOH J 6 .   ? 38.432 -12.364 -14.494 1.000 50.819  0 223 HOH FFF O   1 ? ?  
HETATM 3782 O O   . HOH J 6 .   ? 34.434 5.934   -2.796  1.000 62.984  0 224 HOH FFF 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   . ASN A 1   ? 1.116 1.295 0.968 -0.128 -0.348 -0.095 331 ASN EEE N   
2    C CA  . ASN A 1   ? 1.094 1.227 0.930 -0.113 -0.317 -0.107 331 ASN EEE CA  
3    C C   . ASN A 1   ? 1.021 1.196 0.935 -0.114 -0.294 -0.092 331 ASN EEE C   
4    O O   . ASN A 1   ? 0.966 1.199 0.932 -0.100 -0.285 -0.073 331 ASN EEE O   
5    C CB  . ASN A 1   ? 1.101 1.216 0.896 -0.074 -0.294 -0.111 331 ASN EEE CB  
6    C CG  . ASN A 1   ? 1.204 1.262 0.906 -0.064 -0.308 -0.131 331 ASN EEE CG  
7    O OD1 . ASN A 1   ? 1.281 1.313 0.945 -0.085 -0.340 -0.143 331 ASN EEE OD1 
8    N ND2 . ASN A 1   ? 1.215 1.254 0.878 -0.030 -0.283 -0.135 331 ASN EEE ND2 
9    N N   . ILE A 2   ? 1.008 1.152 0.925 -0.127 -0.284 -0.100 332 ILE EEE N   
10   C CA  . ILE A 2   ? 0.931 1.101 0.907 -0.124 -0.257 -0.090 332 ILE EEE CA  
11   C C   . ILE A 2   ? 0.912 1.031 0.855 -0.102 -0.230 -0.101 332 ILE EEE C   
12   O O   . ILE A 2   ? 1.002 1.059 0.892 -0.109 -0.235 -0.119 332 ILE EEE O   
13   C CB  . ILE A 2   ? 0.928 1.111 0.936 -0.162 -0.270 -0.085 332 ILE EEE CB  
14   C CG1 . ILE A 2   ? 0.927 1.176 0.977 -0.185 -0.298 -0.068 332 ILE EEE CG1 
15   C CG2 . ILE A 2   ? 0.872 1.075 0.929 -0.156 -0.241 -0.077 332 ILE EEE CG2 
16   C CD1 . ILE A 2   ? 0.973 1.212 1.016 -0.232 -0.329 -0.068 332 ILE EEE CD1 
17   N N   . THR A 3   ? 0.829 0.970 0.798 -0.075 -0.204 -0.091 333 THR EEE N   
18   C CA  . THR A 3   ? 0.821 0.928 0.771 -0.055 -0.177 -0.096 333 THR EEE CA  
19   C C   . THR A 3   ? 0.732 0.856 0.734 -0.059 -0.158 -0.088 333 THR EEE C   
20   O O   . THR A 3   ? 0.728 0.883 0.765 -0.044 -0.146 -0.075 333 THR EEE O   
21   C CB  . THR A 3   ? 0.821 0.938 0.757 -0.026 -0.166 -0.087 333 THR EEE CB  
22   O OG1 . THR A 3   ? 0.880 0.980 0.761 -0.021 -0.181 -0.095 333 THR EEE OG1 
23   C CG2 . THR A 3   ? 0.796 0.890 0.721 -0.009 -0.140 -0.086 333 THR EEE CG2 
24   N N   . ASN A 4   ? 0.697 0.797 0.698 -0.079 -0.158 -0.096 334 ASN EEE N   
25   C CA  . ASN A 4   ? 0.629 0.739 0.668 -0.082 -0.138 -0.090 334 ASN EEE CA  
26   C C   . ASN A 4   ? 0.569 0.649 0.588 -0.058 -0.115 -0.092 334 ASN EEE C   
27   O O   . ASN A 4   ? 0.589 0.622 0.566 -0.057 -0.112 -0.104 334 ASN EEE O   
28   C CB  . ASN A 4   ? 0.680 0.769 0.717 -0.112 -0.146 -0.096 334 ASN EEE CB  
29   C CG  . ASN A 4   ? 0.715 0.848 0.784 -0.140 -0.170 -0.087 334 ASN EEE CG  
30   O OD1 . ASN A 4   ? 0.747 0.940 0.860 -0.132 -0.170 -0.073 334 ASN EEE OD1 
31   N ND2 . ASN A 4   ? 0.781 0.883 0.824 -0.171 -0.193 -0.093 334 ASN EEE ND2 
32   N N   . LEU A 5   ? 0.497 0.603 0.543 -0.039 -0.102 -0.080 335 LEU EEE N   
33   C CA  . LEU A 5   ? 0.465 0.550 0.498 -0.022 -0.082 -0.077 335 LEU EEE CA  
34   C C   . LEU A 5   ? 0.433 0.505 0.482 -0.029 -0.067 -0.079 335 LEU EEE C   
35   O O   . LEU A 5   ? 0.408 0.506 0.494 -0.035 -0.064 -0.074 335 LEU EEE O   
36   C CB  . LEU A 5   ? 0.440 0.549 0.492 -0.005 -0.079 -0.062 335 LEU EEE CB  
37   C CG  . LEU A 5   ? 0.465 0.586 0.496 0.004  -0.091 -0.056 335 LEU EEE CG  
38   C CD1 . LEU A 5   ? 0.452 0.598 0.510 0.014  -0.095 -0.039 335 LEU EEE CD1 
39   C CD2 . LEU A 5   ? 0.475 0.574 0.465 0.015  -0.084 -0.057 335 LEU EEE CD2 
40   N N   . CYS A 6   ? 0.436 0.473 0.457 -0.025 -0.056 -0.085 336 CYS EEE N   
41   C CA  . CYS A 6   ? 0.429 0.450 0.460 -0.030 -0.041 -0.085 336 CYS EEE CA  
42   C C   . CYS A 6   ? 0.405 0.449 0.469 -0.022 -0.030 -0.074 336 CYS EEE C   
43   O O   . CYS A 6   ? 0.397 0.445 0.458 -0.008 -0.029 -0.065 336 CYS EEE O   
44   C CB  . CYS A 6   ? 0.437 0.421 0.432 -0.021 -0.031 -0.089 336 CYS EEE CB  
45   S SG  . CYS A 6   ? 0.489 0.430 0.430 -0.023 -0.044 -0.106 336 CYS EEE SG  
46   N N   . PRO A 7   ? 0.401 0.456 0.492 -0.029 -0.022 -0.073 337 PRO EEE N   
47   C CA  . PRO A 7   ? 0.386 0.457 0.500 -0.017 -0.014 -0.065 337 PRO EEE CA  
48   C C   . PRO A 7   ? 0.387 0.428 0.485 -0.008 -0.002 -0.062 337 PRO EEE C   
49   O O   . PRO A 7   ? 0.401 0.438 0.507 -0.009 0.009  -0.062 337 PRO EEE O   
50   C CB  . PRO A 7   ? 0.386 0.484 0.529 -0.027 -0.009 -0.066 337 PRO EEE CB  
51   C CG  . PRO A 7   ? 0.400 0.475 0.527 -0.049 -0.009 -0.072 337 PRO EEE CG  
52   C CD  . PRO A 7   ? 0.415 0.468 0.511 -0.050 -0.023 -0.078 337 PRO EEE CD  
53   N N   . PHE A 8   ? 0.393 0.419 0.470 -0.001 -0.005 -0.056 338 PHE EEE N   
54   C CA  . PHE A 8   ? 0.393 0.397 0.457 0.003  0.002  -0.048 338 PHE EEE CA  
55   C C   . PHE A 8   ? 0.379 0.378 0.453 0.011  0.001  -0.042 338 PHE EEE C   
56   O O   . PHE A 8   ? 0.367 0.345 0.432 0.010  0.008  -0.040 338 PHE EEE O   
57   C CB  . PHE A 8   ? 0.412 0.416 0.456 0.008  -0.002 -0.039 338 PHE EEE CB  
58   C CG  . PHE A 8   ? 0.438 0.434 0.460 0.007  0.002  -0.046 338 PHE EEE CG  
59   C CD1 . PHE A 8   ? 0.457 0.432 0.473 0.001  0.011  -0.054 338 PHE EEE CD1 
60   C CD2 . PHE A 8   ? 0.466 0.472 0.470 0.015  -0.004 -0.045 338 PHE EEE CD2 
61   C CE1 . PHE A 8   ? 0.490 0.448 0.479 0.004  0.013  -0.062 338 PHE EEE CE1 
62   C CE2 . PHE A 8   ? 0.508 0.499 0.483 0.020  -0.001 -0.054 338 PHE EEE CE2 
63   C CZ  . PHE A 8   ? 0.510 0.473 0.476 0.016  0.007  -0.063 338 PHE EEE CZ  
64   N N   . GLY A 9   ? 0.380 0.395 0.467 0.020  -0.008 -0.040 339 GLY EEE N   
65   C CA  . GLY A 9   ? 0.381 0.384 0.472 0.033  -0.010 -0.038 339 GLY EEE CA  
66   C C   . GLY A 9   ? 0.376 0.375 0.472 0.036  0.004  -0.046 339 GLY EEE C   
67   O O   . GLY A 9   ? 0.379 0.346 0.458 0.044  0.006  -0.045 339 GLY EEE O   
68   N N   . GLU A 10  ? 0.358 0.386 0.472 0.028  0.013  -0.053 340 GLU EEE N   
69   C CA  . GLU A 10  ? 0.375 0.411 0.497 0.030  0.028  -0.058 340 GLU EEE CA  
70   C C   . GLU A 10  ? 0.367 0.367 0.466 0.022  0.036  -0.059 340 GLU EEE C   
71   O O   . GLU A 10  ? 0.393 0.386 0.487 0.030  0.046  -0.062 340 GLU EEE O   
72   C CB  . GLU A 10  ? 0.389 0.468 0.538 0.017  0.032  -0.060 340 GLU EEE CB  
73   C CG  . GLU A 10  ? 0.417 0.539 0.592 0.024  0.023  -0.056 340 GLU EEE CG  
74   C CD  . GLU A 10  ? 0.440 0.605 0.642 0.003  0.021  -0.054 340 GLU EEE CD  
75   O OE1 . GLU A 10  ? 0.462 0.625 0.663 -0.013 0.030  -0.055 340 GLU EEE OE1 
76   O OE2 . GLU A 10  ? 0.478 0.676 0.698 -0.000 0.008  -0.051 340 GLU EEE OE2 
77   N N   . VAL A 11  ? 0.356 0.338 0.441 0.010  0.032  -0.057 341 VAL EEE N   
78   C CA  . VAL A 11  ? 0.358 0.311 0.423 0.003  0.039  -0.055 341 VAL EEE CA  
79   C C   . VAL A 11  ? 0.364 0.288 0.409 0.009  0.031  -0.047 341 VAL EEE C   
80   O O   . VAL A 11  ? 0.375 0.276 0.406 0.012  0.036  -0.048 341 VAL EEE O   
81   C CB  . VAL A 11  ? 0.365 0.316 0.422 -0.008 0.037  -0.054 341 VAL EEE CB  
82   C CG1 . VAL A 11  ? 0.374 0.301 0.412 -0.013 0.044  -0.049 341 VAL EEE CG1 
83   C CG2 . VAL A 11  ? 0.377 0.343 0.444 -0.018 0.039  -0.062 341 VAL EEE CG2 
84   N N   . PHE A 12  ? 0.362 0.285 0.404 0.010  0.018  -0.037 342 PHE EEE N   
85   C CA  . PHE A 12  ? 0.370 0.263 0.391 0.008  0.006  -0.024 342 PHE EEE CA  
86   C C   . PHE A 12  ? 0.409 0.273 0.418 0.021  -0.002 -0.028 342 PHE EEE C   
87   O O   . PHE A 12  ? 0.426 0.252 0.411 0.018  -0.009 -0.023 342 PHE EEE O   
88   C CB  . PHE A 12  ? 0.364 0.272 0.386 0.004  -0.006 -0.009 342 PHE EEE CB  
89   C CG  . PHE A 12  ? 0.345 0.271 0.366 -0.004 0.001  -0.003 342 PHE EEE CG  
90   C CD1 . PHE A 12  ? 0.342 0.291 0.370 -0.000 0.009  -0.012 342 PHE EEE CD1 
91   C CD2 . PHE A 12  ? 0.344 0.264 0.354 -0.012 -0.001 0.014  342 PHE EEE CD2 
92   C CE1 . PHE A 12  ? 0.336 0.294 0.355 -0.000 0.015  -0.009 342 PHE EEE CE1 
93   C CE2 . PHE A 12  ? 0.336 0.277 0.344 -0.013 0.007  0.020  342 PHE EEE CE2 
94   C CZ  . PHE A 12  ? 0.332 0.289 0.341 -0.004 0.016  0.008  342 PHE EEE CZ  
95   N N   . ASN A 13  ? 0.413 0.293 0.436 0.037  -0.001 -0.036 343 ASN EEE N   
96   C CA  . ASN A 13  ? 0.460 0.313 0.469 0.058  -0.009 -0.039 343 ASN EEE CA  
97   C C   . ASN A 13  ? 0.464 0.322 0.474 0.074  0.008  -0.053 343 ASN EEE C   
98   O O   . ASN A 13  ? 0.484 0.324 0.480 0.099  0.005  -0.058 343 ASN EEE O   
99   C CB  . ASN A 13  ? 0.474 0.345 0.497 0.069  -0.020 -0.035 343 ASN EEE CB  
100  C CG  . ASN A 13  ? 0.506 0.360 0.518 0.056  -0.039 -0.018 343 ASN EEE CG  
101  O OD1 . ASN A 13  ? 0.513 0.328 0.500 0.045  -0.050 -0.007 343 ASN EEE OD1 
102  N ND2 . ASN A 13  ? 0.562 0.450 0.593 0.056  -0.044 -0.012 343 ASN EEE ND2 
103  N N   . ALA A 14  ? 0.437 0.318 0.458 0.064  0.025  -0.058 344 ALA EEE N   
104  C CA  . ALA A 14  ? 0.461 0.355 0.483 0.078  0.043  -0.068 344 ALA EEE CA  
105  C C   . ALA A 14  ? 0.514 0.351 0.492 0.097  0.037  -0.073 344 ALA EEE C   
106  O O   . ALA A 14  ? 0.519 0.309 0.468 0.083  0.024  -0.068 344 ALA EEE O   
107  C CB  . ALA A 14  ? 0.437 0.347 0.467 0.058  0.057  -0.068 344 ALA EEE CB  
108  N N   . THR A 15  ? 0.571 0.413 0.542 0.128  0.046  -0.081 345 THR EEE N   
109  C CA  . THR A 15  ? 0.663 0.444 0.583 0.152  0.041  -0.090 345 THR EEE CA  
110  C C   . THR A 15  ? 0.691 0.452 0.587 0.140  0.051  -0.093 345 THR EEE C   
111  O O   . THR A 15  ? 0.723 0.417 0.572 0.137  0.036  -0.095 345 THR EEE O   
112  C CB  . THR A 15  ? 0.719 0.516 0.634 0.196  0.052  -0.098 345 THR EEE CB  
113  O OG1 . THR A 15  ? 0.731 0.556 0.675 0.205  0.043  -0.092 345 THR EEE OG1 
114  C CG2 . THR A 15  ? 0.798 0.517 0.649 0.226  0.043  -0.109 345 THR EEE CG2 
115  N N   . ARG A 16  ? 0.670 0.487 0.596 0.130  0.073  -0.093 346 ARG EEE N   
116  C CA  . ARG A 16  ? 0.664 0.472 0.572 0.118  0.085  -0.094 346 ARG EEE CA  
117  C C   . ARG A 16  ? 0.571 0.395 0.504 0.081  0.084  -0.085 346 ARG EEE C   
118  O O   . ARG A 16  ? 0.544 0.411 0.516 0.070  0.086  -0.080 346 ARG EEE O   
119  C CB  . ARG A 16  ? 0.713 0.572 0.634 0.138  0.111  -0.098 346 ARG EEE CB  
120  C CG  . ARG A 16  ? 0.840 0.681 0.726 0.183  0.116  -0.109 346 ARG EEE CG  
121  C CD  . ARG A 16  ? 0.904 0.802 0.798 0.204  0.145  -0.109 346 ARG EEE CD  
122  N NE  . ARG A 16  ? 0.969 0.859 0.846 0.183  0.155  -0.107 346 ARG EEE NE  
123  C CZ  . ARG A 16  ? 1.025 0.965 0.909 0.190  0.180  -0.103 346 ARG EEE CZ  
124  N NH1 . ARG A 16  ? 1.046 1.053 0.953 0.220  0.199  -0.100 346 ARG EEE NH1 
125  N NH2 . ARG A 16  ? 1.046 0.971 0.912 0.169  0.186  -0.101 346 ARG EEE NH2 
126  N N   . PHE A 17  ? 0.549 0.334 0.455 0.064  0.078  -0.082 347 PHE EEE N   
127  C CA  . PHE A 17  ? 0.502 0.301 0.425 0.035  0.080  -0.072 347 PHE EEE CA  
128  C C   . PHE A 17  ? 0.499 0.303 0.410 0.031  0.097  -0.074 347 PHE EEE C   
129  O O   . PHE A 17  ? 0.518 0.298 0.396 0.048  0.101  -0.081 347 PHE EEE O   
130  C CB  . PHE A 17  ? 0.511 0.273 0.416 0.019  0.060  -0.063 347 PHE EEE CB  
131  C CG  . PHE A 17  ? 0.486 0.266 0.417 0.012  0.049  -0.055 347 PHE EEE CG  
132  C CD1 . PHE A 17  ? 0.500 0.287 0.440 0.027  0.043  -0.058 347 PHE EEE CD1 
133  C CD2 . PHE A 17  ? 0.458 0.249 0.400 -0.006 0.045  -0.043 347 PHE EEE CD2 
134  C CE1 . PHE A 17  ? 0.477 0.283 0.438 0.020  0.033  -0.051 347 PHE EEE CE1 
135  C CE2 . PHE A 17  ? 0.444 0.254 0.404 -0.009 0.036  -0.036 347 PHE EEE CE2 
136  C CZ  . PHE A 17  ? 0.452 0.269 0.421 0.003  0.030  -0.039 347 PHE EEE CZ  
137  N N   . ALA A 18  ? 0.466 0.296 0.401 0.011  0.105  -0.067 348 ALA EEE N   
138  C CA  . ALA A 18  ? 0.468 0.303 0.395 0.003  0.119  -0.065 348 ALA EEE CA  
139  C C   . ALA A 18  ? 0.482 0.273 0.372 -0.005 0.111  -0.061 348 ALA EEE C   
140  O O   . ALA A 18  ? 0.468 0.234 0.351 -0.013 0.094  -0.055 348 ALA EEE O   
141  C CB  . ALA A 18  ? 0.438 0.302 0.396 -0.018 0.124  -0.058 348 ALA EEE CB  
142  N N   . SER A 19  ? 0.504 0.289 0.372 -0.003 0.122  -0.062 349 SER EEE N   
143  C CA  . SER A 19  ? 0.514 0.270 0.355 -0.017 0.117  -0.055 349 SER EEE CA  
144  C C   . SER A 19  ? 0.478 0.249 0.346 -0.037 0.117  -0.043 349 SER EEE C   
145  O O   . SER A 19  ? 0.467 0.270 0.365 -0.042 0.127  -0.043 349 SER EEE O   
146  C CB  . SER A 19  ? 0.542 0.297 0.356 -0.012 0.132  -0.057 349 SER EEE CB  
147  O OG  . SER A 19  ? 0.588 0.313 0.362 0.011  0.129  -0.069 349 SER EEE OG  
148  N N   . VAL A 20  ? 0.467 0.216 0.323 -0.048 0.103  -0.033 350 VAL EEE N   
149  C CA  . VAL A 20  ? 0.442 0.202 0.318 -0.059 0.102  -0.022 350 VAL EEE CA  
150  C C   . VAL A 20  ? 0.445 0.214 0.326 -0.067 0.117  -0.020 350 VAL EEE C   
151  O O   . VAL A 20  ? 0.430 0.208 0.330 -0.072 0.118  -0.017 350 VAL EEE O   
152  C CB  . VAL A 20  ? 0.445 0.188 0.306 -0.066 0.086  -0.008 350 VAL EEE CB  
153  C CG1 . VAL A 20  ? 0.472 0.191 0.300 -0.072 0.084  -0.004 350 VAL EEE CG1 
154  C CG2 . VAL A 20  ? 0.424 0.182 0.304 -0.069 0.086  0.003  350 VAL EEE CG2 
155  N N   . TYR A 21  ? 0.472 0.235 0.332 -0.068 0.126  -0.019 351 TYR EEE N   
156  C CA  . TYR A 21  ? 0.483 0.255 0.346 -0.079 0.138  -0.013 351 TYR EEE CA  
157  C C   . TYR A 21  ? 0.484 0.286 0.376 -0.082 0.148  -0.016 351 TYR EEE C   
158  O O   . TYR A 21  ? 0.484 0.289 0.387 -0.096 0.150  -0.009 351 TYR EEE O   
159  C CB  . TYR A 21  ? 0.518 0.282 0.350 -0.078 0.146  -0.011 351 TYR EEE CB  
160  C CG  . TYR A 21  ? 0.529 0.318 0.359 -0.067 0.161  -0.019 351 TYR EEE CG  
161  C CD1 . TYR A 21  ? 0.524 0.349 0.375 -0.076 0.177  -0.012 351 TYR EEE CD1 
162  C CD2 . TYR A 21  ? 0.551 0.329 0.358 -0.048 0.159  -0.031 351 TYR EEE CD2 
163  C CE1 . TYR A 21  ? 0.538 0.400 0.394 -0.064 0.193  -0.015 351 TYR EEE CE1 
164  C CE2 . TYR A 21  ? 0.568 0.375 0.374 -0.030 0.176  -0.038 351 TYR EEE CE2 
165  C CZ  . TYR A 21  ? 0.562 0.417 0.395 -0.038 0.194  -0.029 351 TYR EEE CZ  
166  O OH  . TYR A 21  ? 0.589 0.484 0.424 -0.019 0.212  -0.032 351 TYR EEE OH  
167  N N   . ALA A 22  ? 0.480 0.303 0.383 -0.070 0.151  -0.026 352 ALA EEE N   
168  C CA  . ALA A 22  ? 0.472 0.335 0.407 -0.072 0.158  -0.027 352 ALA EEE CA  
169  C C   . ALA A 22  ? 0.454 0.318 0.408 -0.068 0.146  -0.034 352 ALA EEE C   
170  O O   . ALA A 22  ? 0.456 0.350 0.430 -0.061 0.149  -0.039 352 ALA EEE O   
171  C CB  . ALA A 22  ? 0.490 0.384 0.422 -0.057 0.173  -0.031 352 ALA EEE CB  
172  N N   . TRP A 23  ? 0.446 0.283 0.395 -0.072 0.134  -0.032 353 TRP EEE N   
173  C CA  . TRP A 23  ? 0.435 0.273 0.397 -0.066 0.122  -0.037 353 TRP EEE CA  
174  C C   . TRP A 23  ? 0.433 0.298 0.421 -0.071 0.122  -0.041 353 TRP EEE C   
175  O O   . TRP A 23  ? 0.417 0.291 0.414 -0.087 0.127  -0.037 353 TRP EEE O   
176  C CB  . TRP A 23  ? 0.436 0.251 0.388 -0.068 0.113  -0.031 353 TRP EEE CB  
177  C CG  . TRP A 23  ? 0.441 0.242 0.389 -0.078 0.115  -0.026 353 TRP EEE CG  
178  C CD1 . TRP A 23  ? 0.461 0.243 0.391 -0.084 0.119  -0.018 353 TRP EEE CD1 
179  C CD2 . TRP A 23  ? 0.446 0.239 0.399 -0.083 0.110  -0.029 353 TRP EEE CD2 
180  N NE1 . TRP A 23  ? 0.471 0.233 0.396 -0.091 0.117  -0.015 353 TRP EEE NE1 
181  C CE2 . TRP A 23  ? 0.468 0.233 0.404 -0.091 0.111  -0.023 353 TRP EEE CE2 
182  C CE3 . TRP A 23  ? 0.440 0.243 0.405 -0.082 0.103  -0.037 353 TRP EEE CE3 
183  C CZ2 . TRP A 23  ? 0.490 0.229 0.417 -0.097 0.103  -0.025 353 TRP EEE CZ2 
184  C CZ3 . TRP A 23  ? 0.459 0.239 0.415 -0.089 0.096  -0.040 353 TRP EEE CZ3 
185  C CH2 . TRP A 23  ? 0.490 0.236 0.426 -0.096 0.095  -0.035 353 TRP EEE CH2 
186  N N   . ASN A 24  ? 0.412 0.290 0.412 -0.060 0.116  -0.047 354 ASN EEE N   
187  C CA  . ASN A 24  ? 0.401 0.311 0.428 -0.064 0.114  -0.050 354 ASN EEE CA  
188  C C   . ASN A 24  ? 0.388 0.283 0.415 -0.072 0.102  -0.052 354 ASN EEE C   
189  O O   . ASN A 24  ? 0.384 0.258 0.396 -0.064 0.096  -0.052 354 ASN EEE O   
190  C CB  . ASN A 24  ? 0.412 0.340 0.448 -0.045 0.112  -0.055 354 ASN EEE CB  
191  C CG  . ASN A 24  ? 0.424 0.394 0.491 -0.048 0.111  -0.056 354 ASN EEE CG  
192  O OD1 . ASN A 24  ? 0.449 0.455 0.531 -0.049 0.121  -0.051 354 ASN EEE OD1 
193  N ND2 . ASN A 24  ? 0.429 0.399 0.503 -0.049 0.098  -0.059 354 ASN EEE ND2 
194  N N   . ARG A 25  ? 0.394 0.303 0.435 -0.088 0.098  -0.052 355 ARG EEE N   
195  C CA  . ARG A 25  ? 0.399 0.288 0.432 -0.093 0.084  -0.056 355 ARG EEE CA  
196  C C   . ARG A 25  ? 0.389 0.312 0.446 -0.099 0.076  -0.059 355 ARG EEE C   
197  O O   . ARG A 25  ? 0.377 0.333 0.457 -0.113 0.079  -0.053 355 ARG EEE O   
198  C CB  . ARG A 25  ? 0.435 0.288 0.449 -0.111 0.080  -0.054 355 ARG EEE CB  
199  C CG  . ARG A 25  ? 0.457 0.285 0.457 -0.117 0.063  -0.061 355 ARG EEE CG  
200  C CD  . ARG A 25  ? 0.499 0.271 0.465 -0.123 0.057  -0.061 355 ARG EEE CD  
201  N NE  . ARG A 25  ? 0.494 0.244 0.437 -0.097 0.063  -0.063 355 ARG EEE NE  
202  C CZ  . ARG A 25  ? 0.531 0.234 0.440 -0.088 0.059  -0.064 355 ARG EEE CZ  
203  N NH1 . ARG A 25  ? 0.587 0.247 0.474 -0.105 0.048  -0.066 355 ARG EEE NH1 
204  N NH2 . ARG A 25  ? 0.522 0.221 0.417 -0.063 0.065  -0.062 355 ARG EEE NH2 
205  N N   . LYS A 26  ? 0.394 0.315 0.448 -0.088 0.066  -0.065 356 LYS EEE N   
206  C CA  . LYS A 26  ? 0.409 0.357 0.481 -0.093 0.054  -0.068 356 LYS EEE CA  
207  C C   . LYS A 26  ? 0.428 0.342 0.475 -0.098 0.039  -0.075 356 LYS EEE C   
208  O O   . LYS A 26  ? 0.417 0.304 0.438 -0.081 0.038  -0.079 356 LYS EEE O   
209  C CB  . LYS A 26  ? 0.406 0.377 0.490 -0.072 0.054  -0.069 356 LYS EEE CB  
210  C CG  . LYS A 26  ? 0.431 0.437 0.537 -0.075 0.042  -0.069 356 LYS EEE CG  
211  C CD  . LYS A 26  ? 0.460 0.489 0.579 -0.053 0.042  -0.068 356 LYS EEE CD  
212  C CE  . LYS A 26  ? 0.482 0.555 0.628 -0.055 0.032  -0.066 356 LYS EEE CE  
213  N NZ  . LYS A 26  ? 0.525 0.633 0.696 -0.076 0.033  -0.059 356 LYS EEE NZ  
214  N N   . ARG A 27  ? 0.464 0.377 0.513 -0.122 0.026  -0.075 357 ARG EEE N   
215  C CA  . ARG A 27  ? 0.517 0.389 0.533 -0.127 0.007  -0.085 357 ARG EEE CA  
216  C C   . ARG A 27  ? 0.506 0.401 0.527 -0.113 -0.001 -0.090 357 ARG EEE C   
217  O O   . ARG A 27  ? 0.467 0.412 0.524 -0.115 -0.001 -0.084 357 ARG EEE O   
218  C CB  . ARG A 27  ? 0.568 0.429 0.583 -0.162 -0.010 -0.082 357 ARG EEE CB  
219  C CG  . ARG A 27  ? 0.644 0.454 0.616 -0.167 -0.034 -0.094 357 ARG EEE CG  
220  C CD  . ARG A 27  ? 0.716 0.516 0.689 -0.208 -0.057 -0.089 357 ARG EEE CD  
221  N NE  . ARG A 27  ? 0.789 0.546 0.743 -0.225 -0.056 -0.083 357 ARG EEE NE  
222  C CZ  . ARG A 27  ? 0.911 0.584 0.808 -0.224 -0.069 -0.093 357 ARG EEE CZ  
223  N NH1 . ARG A 27  ? 0.953 0.579 0.803 -0.203 -0.081 -0.111 357 ARG EEE NH1 
224  N NH2 . ARG A 27  ? 0.948 0.584 0.832 -0.242 -0.070 -0.085 357 ARG EEE NH2 
225  N N   . ILE A 28  ? 0.402 0.289 0.472 -0.049 0.001  -0.032 358 ILE EEE N   
226  C CA  . ILE A 28  ? 0.403 0.291 0.472 -0.039 -0.016 -0.034 358 ILE EEE CA  
227  C C   . ILE A 28  ? 0.422 0.302 0.486 -0.044 -0.027 -0.036 358 ILE EEE C   
228  O O   . ILE A 28  ? 0.440 0.300 0.480 -0.047 -0.025 -0.032 358 ILE EEE O   
229  C CB  . ILE A 28  ? 0.405 0.277 0.447 -0.029 -0.018 -0.027 358 ILE EEE CB  
230  C CG1 . ILE A 28  ? 0.408 0.284 0.452 -0.024 -0.009 -0.025 358 ILE EEE CG1 
231  C CG2 . ILE A 28  ? 0.402 0.270 0.437 -0.020 -0.034 -0.028 358 ILE EEE CG2 
232  C CD1 . ILE A 28  ? 0.404 0.298 0.471 -0.016 -0.015 -0.030 358 ILE EEE CD1 
233  N N   . SER A 29  ? 0.436 0.331 0.525 -0.046 -0.038 -0.043 359 SER EEE N   
234  C CA  . SER A 29  ? 0.463 0.349 0.548 -0.052 -0.049 -0.047 359 SER EEE CA  
235  C C   . SER A 29  ? 0.448 0.347 0.552 -0.047 -0.069 -0.054 359 SER EEE C   
236  O O   . SER A 29  ? 0.418 0.338 0.548 -0.041 -0.071 -0.058 359 SER EEE O   
237  C CB  . SER A 29  ? 0.493 0.381 0.589 -0.068 -0.040 -0.048 359 SER EEE CB  
238  O OG  . SER A 29  ? 0.542 0.458 0.676 -0.074 -0.034 -0.054 359 SER EEE OG  
239  N N   . ASN A 30  ? 0.460 0.345 0.550 -0.048 -0.083 -0.057 360 ASN EEE N   
240  C CA  . ASN A 30  ? 0.470 0.361 0.572 -0.044 -0.105 -0.064 360 ASN EEE CA  
241  C C   . ASN A 30  ? 0.454 0.348 0.553 -0.029 -0.113 -0.063 360 ASN EEE C   
242  O O   . ASN A 30  ? 0.455 0.369 0.584 -0.025 -0.123 -0.069 360 ASN EEE O   
243  C CB  . ASN A 30  ? 0.484 0.402 0.631 -0.055 -0.107 -0.073 360 ASN EEE CB  
244  C CG  . ASN A 30  ? 0.525 0.435 0.670 -0.072 -0.098 -0.073 360 ASN EEE CG  
245  O OD1 . ASN A 30  ? 0.536 0.422 0.655 -0.074 -0.107 -0.073 360 ASN EEE OD1 
246  N ND2 . ASN A 30  ? 0.528 0.453 0.696 -0.083 -0.080 -0.073 360 ASN EEE ND2 
247  N N   . CYS A 31  ? 0.446 0.319 0.509 -0.021 -0.109 -0.055 361 CYS EEE N   
248  C CA  . CYS A 31  ? 0.458 0.327 0.511 -0.008 -0.116 -0.052 361 CYS EEE CA  
249  C C   . CYS A 31  ? 0.464 0.303 0.470 -0.003 -0.115 -0.044 361 CYS EEE C   
250  O O   . CYS A 31  ? 0.464 0.292 0.451 -0.009 -0.106 -0.041 361 CYS EEE O   
251  C CB  . CYS A 31  ? 0.432 0.318 0.506 -0.006 -0.102 -0.050 361 CYS EEE CB  
252  S SG  . CYS A 31  ? 0.419 0.298 0.478 -0.013 -0.077 -0.042 361 CYS EEE SG  
253  N N   . VAL A 32  ? 0.483 0.312 0.473 0.007  -0.126 -0.042 362 VAL EEE N   
254  C CA  . VAL A 32  ? 0.500 0.301 0.445 0.011  -0.124 -0.034 362 VAL EEE CA  
255  C C   . VAL A 32  ? 0.472 0.276 0.417 0.012  -0.108 -0.027 362 VAL EEE C   
256  O O   . VAL A 32  ? 0.470 0.283 0.432 0.018  -0.110 -0.028 362 VAL EEE O   
257  C CB  . VAL A 32  ? 0.544 0.328 0.469 0.020  -0.145 -0.034 362 VAL EEE CB  
258  C CG1 . VAL A 32  ? 0.570 0.326 0.449 0.023  -0.140 -0.026 362 VAL EEE CG1 
259  C CG2 . VAL A 32  ? 0.573 0.354 0.498 0.019  -0.163 -0.042 362 VAL EEE CG2 
260  N N   . ALA A 33  ? 0.471 0.266 0.397 0.008  -0.092 -0.022 363 ALA EEE N   
261  C CA  . ALA A 33  ? 0.464 0.260 0.388 0.008  -0.078 -0.016 363 ALA EEE CA  
262  C C   . ALA A 33  ? 0.496 0.271 0.387 0.013  -0.080 -0.010 363 ALA EEE C   
263  O O   . ALA A 33  ? 0.490 0.250 0.354 0.010  -0.077 -0.008 363 ALA EEE O   
264  C CB  . ALA A 33  ? 0.466 0.265 0.390 0.001  -0.062 -0.015 363 ALA EEE CB  
265  N N   . ASP A 34  ? 0.490 0.262 0.382 0.018  -0.084 -0.007 364 ASP EEE N   
266  C CA  . ASP A 34  ? 0.510 0.259 0.369 0.021  -0.086 0.000  364 ASP EEE CA  
267  C C   . ASP A 34  ? 0.511 0.262 0.373 0.019  -0.072 0.005  364 ASP EEE C   
268  O O   . ASP A 34  ? 0.509 0.266 0.387 0.024  -0.075 0.005  364 ASP EEE O   
269  C CB  . ASP A 34  ? 0.546 0.282 0.396 0.029  -0.106 -0.001 364 ASP EEE CB  
270  C CG  . ASP A 34  ? 0.581 0.288 0.391 0.030  -0.107 0.007  364 ASP EEE CG  
271  O OD1 . ASP A 34  ? 0.550 0.250 0.343 0.023  -0.091 0.013  364 ASP EEE OD1 
272  O OD2 . ASP A 34  ? 0.649 0.339 0.445 0.037  -0.125 0.008  364 ASP EEE OD2 
273  N N   . TYR A 35  ? 0.517 0.264 0.365 0.013  -0.058 0.009  365 TYR EEE N   
274  C CA  . TYR A 35  ? 0.520 0.271 0.373 0.010  -0.046 0.013  365 TYR EEE CA  
275  C C   . TYR A 35  ? 0.558 0.288 0.387 0.010  -0.047 0.020  365 TYR EEE C   
276  O O   . TYR A 35  ? 0.532 0.264 0.366 0.008  -0.040 0.023  365 TYR EEE O   
277  C CB  . TYR A 35  ? 0.526 0.283 0.378 0.004  -0.032 0.013  365 TYR EEE CB  
278  C CG  . TYR A 35  ? 0.520 0.292 0.394 0.003  -0.030 0.008  365 TYR EEE CG  
279  C CD1 . TYR A 35  ? 0.525 0.309 0.420 0.003  -0.025 0.007  365 TYR EEE CD1 
280  C CD2 . TYR A 35  ? 0.521 0.294 0.393 0.002  -0.033 0.003  365 TYR EEE CD2 
281  C CE1 . TYR A 35  ? 0.509 0.304 0.421 0.000  -0.022 0.003  365 TYR EEE CE1 
282  C CE2 . TYR A 35  ? 0.527 0.311 0.417 -0.000 -0.032 -0.001 365 TYR EEE CE2 
283  C CZ  . TYR A 35  ? 0.512 0.307 0.422 -0.002 -0.026 -0.001 365 TYR EEE CZ  
284  O OH  . TYR A 35  ? 0.466 0.269 0.390 -0.006 -0.023 -0.004 365 TYR EEE OH  
285  N N   . SER A 36  ? 0.561 0.272 0.365 0.013  -0.058 0.022  366 SER EEE N   
286  C CA  . SER A 36  ? 0.601 0.287 0.375 0.011  -0.060 0.029  366 SER EEE CA  
287  C C   . SER A 36  ? 0.614 0.298 0.400 0.017  -0.065 0.031  366 SER EEE C   
288  O O   . SER A 36  ? 0.622 0.288 0.390 0.013  -0.063 0.037  366 SER EEE O   
289  C CB  . SER A 36  ? 0.626 0.286 0.365 0.013  -0.072 0.031  366 SER EEE CB  
290  O OG  . SER A 36  ? 0.614 0.273 0.361 0.023  -0.091 0.027  366 SER EEE OG  
291  N N   . VAL A 37  ? 0.595 0.297 0.411 0.023  -0.072 0.024  367 VAL EEE N   
292  C CA  . VAL A 37  ? 0.589 0.294 0.422 0.030  -0.076 0.023  367 VAL EEE CA  
293  C C   . VAL A 37  ? 0.588 0.295 0.423 0.024  -0.061 0.027  367 VAL EEE C   
294  O O   . VAL A 37  ? 0.601 0.297 0.435 0.027  -0.064 0.028  367 VAL EEE O   
295  C CB  . VAL A 37  ? 0.584 0.314 0.453 0.037  -0.080 0.014  367 VAL EEE CB  
296  C CG1 . VAL A 37  ? 0.560 0.314 0.451 0.030  -0.065 0.011  367 VAL EEE CG1 
297  C CG2 . VAL A 37  ? 0.625 0.356 0.509 0.046  -0.087 0.010  367 VAL EEE CG2 
298  N N   . LEU A 38  ? 0.571 0.289 0.410 0.015  -0.047 0.027  368 LEU EEE N   
299  C CA  . LEU A 38  ? 0.563 0.284 0.406 0.009  -0.035 0.030  368 LEU EEE CA  
300  C C   . LEU A 38  ? 0.602 0.306 0.420 0.001  -0.029 0.037  368 LEU EEE C   
301  O O   . LEU A 38  ? 0.586 0.290 0.408 -0.004 -0.022 0.039  368 LEU EEE O   
302  C CB  . LEU A 38  ? 0.538 0.280 0.399 0.006  -0.025 0.026  368 LEU EEE CB  
303  C CG  . LEU A 38  ? 0.542 0.302 0.427 0.010  -0.027 0.019  368 LEU EEE CG  
304  C CD1 . LEU A 38  ? 0.538 0.312 0.433 0.006  -0.018 0.017  368 LEU EEE CD1 
305  C CD2 . LEU A 38  ? 0.557 0.319 0.454 0.016  -0.029 0.017  368 LEU EEE CD2 
306  N N   . TYR A 39  ? 0.646 0.335 0.439 -0.002 -0.032 0.040  369 TYR EEE N   
307  C CA  . TYR A 39  ? 0.652 0.328 0.422 -0.012 -0.022 0.046  369 TYR EEE CA  
308  C C   . TYR A 39  ? 0.647 0.306 0.407 -0.017 -0.021 0.052  369 TYR EEE C   
309  O O   . TYR A 39  ? 0.647 0.309 0.406 -0.028 -0.009 0.054  369 TYR EEE O   
310  C CB  . TYR A 39  ? 0.697 0.355 0.437 -0.014 -0.025 0.049  369 TYR EEE CB  
311  C CG  . TYR A 39  ? 0.715 0.387 0.459 -0.012 -0.022 0.043  369 TYR EEE CG  
312  C CD1 . TYR A 39  ? 0.698 0.396 0.471 -0.011 -0.016 0.037  369 TYR EEE CD1 
313  C CD2 . TYR A 39  ? 0.783 0.438 0.497 -0.012 -0.026 0.044  369 TYR EEE CD2 
314  C CE1 . TYR A 39  ? 0.717 0.424 0.491 -0.009 -0.015 0.032  369 TYR EEE CE1 
315  C CE2 . TYR A 39  ? 0.834 0.499 0.550 -0.010 -0.025 0.038  369 TYR EEE CE2 
316  C CZ  . TYR A 39  ? 0.755 0.446 0.502 -0.009 -0.019 0.032  369 TYR EEE CZ  
317  O OH  . TYR A 39  ? 0.851 0.548 0.598 -0.007 -0.019 0.026  369 TYR EEE OH  
318  N N   . ASN A 40  ? 0.632 0.272 0.383 -0.010 -0.035 0.054  370 ASN EEE N   
319  C CA  . ASN A 40  ? 0.646 0.262 0.382 -0.014 -0.038 0.059  370 ASN EEE CA  
320  C C   . ASN A 40  ? 0.603 0.231 0.365 -0.011 -0.037 0.056  370 ASN EEE C   
321  O O   . ASN A 40  ? 0.594 0.201 0.345 -0.010 -0.043 0.059  370 ASN EEE O   
322  C CB  . ASN A 40  ? 0.701 0.287 0.412 -0.006 -0.055 0.063  370 ASN EEE CB  
323  C CG  . ASN A 40  ? 0.751 0.310 0.422 -0.013 -0.054 0.070  370 ASN EEE CG  
324  O OD1 . ASN A 40  ? 0.782 0.346 0.445 -0.025 -0.039 0.072  370 ASN EEE OD1 
325  N ND2 . ASN A 40  ? 0.799 0.329 0.444 -0.006 -0.071 0.072  370 ASN EEE ND2 
326  N N   . SER A 41  ? 0.544 0.201 0.334 -0.009 -0.030 0.050  371 SER EEE N   
327  C CA  . SER A 41  ? 0.529 0.196 0.339 -0.007 -0.028 0.046  371 SER EEE CA  
328  C C   . SER A 41  ? 0.508 0.182 0.322 -0.019 -0.017 0.048  371 SER EEE C   
329  O O   . SER A 41  ? 0.500 0.184 0.314 -0.026 -0.008 0.049  371 SER EEE O   
330  C CB  . SER A 41  ? 0.506 0.196 0.340 0.001  -0.028 0.039  371 SER EEE CB  
331  O OG  . SER A 41  ? 0.533 0.219 0.369 0.012  -0.040 0.036  371 SER EEE OG  
332  N N   . ALA A 42  ? 0.498 0.165 0.316 -0.022 -0.018 0.048  372 ALA EEE N   
333  C CA  . ALA A 42  ? 0.498 0.170 0.322 -0.033 -0.009 0.049  372 ALA EEE CA  
334  C C   . ALA A 42  ? 0.486 0.166 0.326 -0.030 -0.011 0.045  372 ALA EEE C   
335  O O   . ALA A 42  ? 0.490 0.179 0.340 -0.039 -0.006 0.044  372 ALA EEE O   
336  C CB  . ALA A 42  ? 0.539 0.187 0.342 -0.044 -0.009 0.056  372 ALA EEE CB  
337  N N   . SER A 43  ? 0.469 0.148 0.313 -0.019 -0.017 0.040  373 SER EEE N   
338  C CA  . SER A 43  ? 0.466 0.148 0.320 -0.016 -0.018 0.035  373 SER EEE CA  
339  C C   . SER A 43  ? 0.435 0.139 0.304 -0.012 -0.012 0.031  373 SER EEE C   
340  O O   . SER A 43  ? 0.450 0.155 0.324 -0.010 -0.013 0.027  373 SER EEE O   
341  C CB  . SER A 43  ? 0.489 0.154 0.336 -0.006 -0.025 0.033  373 SER EEE CB  
342  O OG  . SER A 43  ? 0.526 0.166 0.357 -0.011 -0.031 0.037  373 SER EEE OG  
343  N N   . PHE A 44  ? 0.406 0.125 0.281 -0.012 -0.008 0.031  374 PHE EEE N   
344  C CA  . PHE A 44  ? 0.398 0.134 0.285 -0.011 -0.003 0.027  374 PHE EEE CA  
345  C C   . PHE A 44  ? 0.384 0.124 0.276 -0.019 -0.001 0.027  374 PHE EEE C   
346  O O   . PHE A 44  ? 0.392 0.131 0.283 -0.026 0.000  0.030  374 PHE EEE O   
347  C CB  . PHE A 44  ? 0.394 0.142 0.284 -0.011 -0.000 0.027  374 PHE EEE CB  
348  C CG  . PHE A 44  ? 0.412 0.159 0.302 -0.004 -0.004 0.026  374 PHE EEE CG  
349  C CD1 . PHE A 44  ? 0.424 0.175 0.321 0.003  -0.004 0.021  374 PHE EEE CD1 
350  C CD2 . PHE A 44  ? 0.441 0.184 0.323 -0.003 -0.007 0.028  374 PHE EEE CD2 
351  C CE1 . PHE A 44  ? 0.431 0.187 0.334 0.009  -0.008 0.018  374 PHE EEE CE1 
352  C CE2 . PHE A 44  ? 0.455 0.199 0.339 0.004  -0.013 0.026  374 PHE EEE CE2 
353  C CZ  . PHE A 44  ? 0.446 0.198 0.343 0.010  -0.014 0.021  374 PHE EEE CZ  
354  N N   . SER A 45  ? 0.387 0.129 0.284 -0.017 -0.002 0.024  375 SER EEE N   
355  C CA  . SER A 45  ? 0.395 0.141 0.298 -0.022 -0.004 0.022  375 SER EEE CA  
356  C C   . SER A 45  ? 0.384 0.147 0.299 -0.023 0.000  0.021  375 SER EEE C   
357  O O   . SER A 45  ? 0.410 0.181 0.335 -0.028 0.000  0.020  375 SER EEE O   
358  C CB  . SER A 45  ? 0.397 0.136 0.297 -0.018 -0.008 0.019  375 SER EEE CB  
359  O OG  . SER A 45  ? 0.397 0.140 0.295 -0.012 -0.005 0.017  375 SER EEE OG  
360  N N   . THR A 46  ? 0.388 0.157 0.302 -0.018 0.003  0.021  376 THR EEE N   
361  C CA  . THR A 46  ? 0.366 0.147 0.288 -0.018 0.007  0.019  376 THR EEE CA  
362  C C   . THR A 46  ? 0.359 0.142 0.276 -0.016 0.010  0.020  376 THR EEE C   
363  O O   . THR A 46  ? 0.354 0.132 0.267 -0.012 0.008  0.020  376 THR EEE O   
364  C CB  . THR A 46  ? 0.373 0.155 0.298 -0.015 0.003  0.015  376 THR EEE CB  
365  O OG1 . THR A 46  ? 0.358 0.151 0.291 -0.014 0.005  0.013  376 THR EEE OG1 
366  C CG2 . THR A 46  ? 0.379 0.153 0.295 -0.010 0.003  0.015  376 THR EEE CG2 
367  N N   . PHE A 47  ? 0.361 0.152 0.281 -0.017 0.014  0.019  377 PHE EEE N   
368  C CA  . PHE A 47  ? 0.362 0.154 0.276 -0.015 0.015  0.019  377 PHE EEE CA  
369  C C   . PHE A 47  ? 0.361 0.162 0.279 -0.014 0.019  0.016  377 PHE EEE C   
370  O O   . PHE A 47  ? 0.358 0.163 0.276 -0.018 0.024  0.016  377 PHE EEE O   
371  C CB  . PHE A 47  ? 0.371 0.156 0.274 -0.016 0.014  0.023  377 PHE EEE CB  
372  C CG  . PHE A 47  ? 0.384 0.166 0.279 -0.014 0.013  0.022  377 PHE EEE CG  
373  C CD1 . PHE A 47  ? 0.393 0.182 0.292 -0.012 0.014  0.019  377 PHE EEE CD1 
374  C CD2 . PHE A 47  ? 0.412 0.184 0.296 -0.013 0.009  0.025  377 PHE EEE CD2 
375  C CE1 . PHE A 47  ? 0.400 0.187 0.292 -0.010 0.011  0.018  377 PHE EEE CE1 
376  C CE2 . PHE A 47  ? 0.421 0.190 0.297 -0.011 0.005  0.025  377 PHE EEE CE2 
377  C CZ  . PHE A 47  ? 0.422 0.200 0.303 -0.009 0.006  0.021  377 PHE EEE CZ  
378  N N   . LYS A 48  ? 0.348 0.152 0.271 -0.011 0.017  0.012  378 LYS EEE N   
379  C CA  . LYS A 48  ? 0.364 0.175 0.293 -0.008 0.019  0.008  378 LYS EEE CA  
380  C C   . LYS A 48  ? 0.364 0.170 0.286 -0.005 0.018  0.006  378 LYS EEE C   
381  O O   . LYS A 48  ? 0.359 0.159 0.278 -0.005 0.015  0.007  378 LYS EEE O   
382  C CB  . LYS A 48  ? 0.373 0.186 0.311 -0.006 0.015  0.005  378 LYS EEE CB  
383  C CG  . LYS A 48  ? 0.375 0.195 0.324 -0.009 0.016  0.005  378 LYS EEE CG  
384  C CD  . LYS A 48  ? 0.376 0.198 0.334 -0.005 0.009  0.001  378 LYS EEE CD  
385  C CE  . LYS A 48  ? 0.387 0.213 0.356 -0.008 0.005  0.001  378 LYS EEE CE  
386  N NZ  . LYS A 48  ? 0.392 0.220 0.371 -0.002 -0.004 -0.004 378 LYS EEE NZ  
387  N N   . CYS A 49  ? 0.366 0.176 0.286 -0.004 0.021  0.003  379 CYS EEE N   
388  C CA  . CYS A 49  ? 0.373 0.178 0.288 -0.001 0.019  0.000  379 CYS EEE CA  
389  C C   . CYS A 49  ? 0.373 0.178 0.292 0.004  0.018  -0.005 379 CYS EEE C   
390  O O   . CYS A 49  ? 0.359 0.174 0.287 0.005  0.022  -0.008 379 CYS EEE O   
391  C CB  . CYS A 49  ? 0.384 0.185 0.287 -0.003 0.020  0.000  379 CYS EEE CB  
392  S SG  . CYS A 49  ? 0.398 0.196 0.296 -0.006 0.017  0.006  379 CYS EEE SG  
393  N N   . TYR A 50  ? 0.376 0.173 0.291 0.006  0.014  -0.007 380 TYR EEE N   
394  C CA  . TYR A 50  ? 0.387 0.178 0.302 0.012  0.011  -0.012 380 TYR EEE CA  
395  C C   . TYR A 50  ? 0.390 0.174 0.296 0.013  0.010  -0.016 380 TYR EEE C   
396  O O   . TYR A 50  ? 0.385 0.161 0.284 0.009  0.007  -0.014 380 TYR EEE O   
397  C CB  . TYR A 50  ? 0.387 0.167 0.301 0.012  0.005  -0.010 380 TYR EEE CB  
398  C CG  . TYR A 50  ? 0.386 0.171 0.307 0.011  0.004  -0.007 380 TYR EEE CG  
399  C CD1 . TYR A 50  ? 0.379 0.165 0.298 0.006  0.006  -0.002 380 TYR EEE CD1 
400  C CD2 . TYR A 50  ? 0.385 0.174 0.315 0.016  0.000  -0.011 380 TYR EEE CD2 
401  C CE1 . TYR A 50  ? 0.373 0.160 0.296 0.005  0.004  -0.000 380 TYR EEE CE1 
402  C CE2 . TYR A 50  ? 0.377 0.170 0.313 0.015  -0.002 -0.009 380 TYR EEE CE2 
403  C CZ  . TYR A 50  ? 0.365 0.155 0.296 0.009  -0.000 -0.003 380 TYR EEE CZ  
404  O OH  . TYR A 50  ? 0.367 0.158 0.302 0.008  -0.003 -0.002 380 TYR EEE OH  
405  N N   . GLY A 51  ? 0.408 0.195 0.314 0.019  0.012  -0.023 381 GLY EEE N   
406  C CA  . GLY A 51  ? 0.419 0.196 0.313 0.021  0.011  -0.028 381 GLY EEE CA  
407  C C   . GLY A 51  ? 0.420 0.200 0.304 0.017  0.015  -0.027 381 GLY EEE C   
408  O O   . GLY A 51  ? 0.426 0.198 0.298 0.019  0.014  -0.032 381 GLY EEE O   
409  N N   . VAL A 52  ? 0.405 0.193 0.291 0.012  0.019  -0.021 382 VAL EEE N   
410  C CA  . VAL A 52  ? 0.419 0.206 0.292 0.009  0.021  -0.019 382 VAL EEE CA  
411  C C   . VAL A 52  ? 0.416 0.213 0.293 0.005  0.028  -0.015 382 VAL EEE C   
412  O O   . VAL A 52  ? 0.391 0.194 0.282 0.004  0.028  -0.011 382 VAL EEE O   
413  C CB  . VAL A 52  ? 0.443 0.222 0.311 0.005  0.013  -0.016 382 VAL EEE CB  
414  C CG1 . VAL A 52  ? 0.478 0.246 0.343 0.005  0.006  -0.020 382 VAL EEE CG1 
415  C CG2 . VAL A 52  ? 0.451 0.235 0.331 0.001  0.011  -0.010 382 VAL EEE CG2 
416  N N   . SER A 53  ? 0.444 0.240 0.307 0.003  0.035  -0.015 383 SER EEE N   
417  C CA  . SER A 53  ? 0.448 0.250 0.311 -0.002 0.042  -0.010 383 SER EEE CA  
418  C C   . SER A 53  ? 0.466 0.258 0.321 -0.006 0.035  -0.003 383 SER EEE C   
419  O O   . SER A 53  ? 0.466 0.248 0.309 -0.005 0.027  -0.002 383 SER EEE O   
420  C CB  . SER A 53  ? 0.487 0.289 0.335 -0.004 0.053  -0.013 383 SER EEE CB  
421  O OG  . SER A 53  ? 0.511 0.314 0.353 -0.011 0.060  -0.007 383 SER EEE OG  
422  N N   . PRO A 54  ? 0.455 0.252 0.319 -0.010 0.035  0.003  384 PRO EEE N   
423  C CA  . PRO A 54  ? 0.464 0.250 0.319 -0.012 0.029  0.009  384 PRO EEE CA  
424  C C   . PRO A 54  ? 0.508 0.281 0.337 -0.014 0.029  0.011  384 PRO EEE C   
425  O O   . PRO A 54  ? 0.534 0.296 0.355 -0.013 0.019  0.014  384 PRO EEE O   
426  C CB  . PRO A 54  ? 0.455 0.247 0.321 -0.016 0.032  0.013  384 PRO EEE CB  
427  C CG  . PRO A 54  ? 0.430 0.235 0.316 -0.014 0.035  0.008  384 PRO EEE CG  
428  C CD  . PRO A 54  ? 0.431 0.240 0.314 -0.011 0.040  0.002  384 PRO EEE CD  
429  N N   . THR A 55  ? 0.539 0.311 0.356 -0.016 0.039  0.009  385 THR EEE N   
430  C CA  . THR A 55  ? 0.586 0.341 0.371 -0.019 0.041  0.011  385 THR EEE CA  
431  C C   . THR A 55  ? 0.600 0.344 0.370 -0.014 0.032  0.008  385 THR EEE C   
432  O O   . THR A 55  ? 0.624 0.350 0.365 -0.015 0.028  0.010  385 THR EEE O   
433  C CB  . THR A 55  ? 0.617 0.376 0.393 -0.024 0.058  0.009  385 THR EEE CB  
434  O OG1 . THR A 55  ? 0.619 0.389 0.403 -0.019 0.063  0.000  385 THR EEE OG1 
435  C CG2 . THR A 55  ? 0.622 0.393 0.415 -0.031 0.067  0.013  385 THR EEE CG2 
436  N N   . LYS A 56  ? 0.557 0.310 0.343 -0.009 0.027  0.002  386 LYS EEE N   
437  C CA  . LYS A 56  ? 0.586 0.329 0.360 -0.005 0.018  -0.003 386 LYS EEE CA  
438  C C   . LYS A 56  ? 0.555 0.299 0.344 -0.003 0.004  -0.003 386 LYS EEE C   
439  O O   . LYS A 56  ? 0.546 0.284 0.330 -0.001 -0.005 -0.008 386 LYS EEE O   
440  C CB  . LYS A 56  ? 0.625 0.375 0.404 -0.002 0.025  -0.011 386 LYS EEE CB  
441  C CG  . LYS A 56  ? 0.686 0.437 0.451 -0.003 0.041  -0.014 386 LYS EEE CG  
442  C CD  . LYS A 56  ? 0.765 0.496 0.493 -0.004 0.041  -0.014 386 LYS EEE CD  
443  C CE  . LYS A 56  ? 0.805 0.536 0.518 -0.010 0.058  -0.011 386 LYS EEE CE  
444  N NZ  . LYS A 56  ? 0.896 0.606 0.569 -0.010 0.062  -0.014 386 LYS EEE NZ  
445  N N   . LEU A 57  ? 0.517 0.269 0.323 -0.004 0.001  0.002  387 LEU EEE N   
446  C CA  . LEU A 57  ? 0.503 0.260 0.328 -0.003 -0.009 0.001  387 LEU EEE CA  
447  C C   . LEU A 57  ? 0.527 0.274 0.341 -0.001 -0.023 -0.000 387 LEU EEE C   
448  O O   . LEU A 57  ? 0.526 0.277 0.353 -0.000 -0.031 -0.004 387 LEU EEE O   
449  C CB  . LEU A 57  ? 0.506 0.271 0.348 -0.004 -0.008 0.006  387 LEU EEE CB  
450  C CG  . LEU A 57  ? 0.508 0.284 0.365 -0.005 0.002  0.005  387 LEU EEE CG  
451  C CD1 . LEU A 57  ? 0.501 0.281 0.370 -0.006 0.002  0.010  387 LEU EEE CD1 
452  C CD2 . LEU A 57  ? 0.501 0.282 0.371 -0.004 0.001  0.001  387 LEU EEE CD2 
453  N N   . ASN A 58  ? 0.511 0.243 0.300 -0.000 -0.026 0.003  388 ASN EEE N   
454  C CA  . ASN A 58  ? 0.543 0.263 0.319 0.003  -0.042 0.002  388 ASN EEE CA  
455  C C   . ASN A 58  ? 0.559 0.268 0.315 0.003  -0.045 -0.004 388 ASN EEE C   
456  O O   . ASN A 58  ? 0.592 0.289 0.334 0.006  -0.060 -0.006 388 ASN EEE O   
457  C CB  . ASN A 58  ? 0.562 0.264 0.315 0.004  -0.048 0.008  388 ASN EEE CB  
458  C CG  . ASN A 58  ? 0.557 0.266 0.331 0.007  -0.056 0.010  388 ASN EEE CG  
459  O OD1 . ASN A 58  ? 0.532 0.261 0.338 0.007  -0.053 0.008  388 ASN EEE OD1 
460  N ND2 . ASN A 58  ? 0.598 0.290 0.354 0.011  -0.068 0.014  388 ASN EEE ND2 
461  N N   . ASP A 59  ? 0.555 0.267 0.308 0.002  -0.032 -0.007 389 ASP EEE N   
462  C CA  . ASP A 59  ? 0.590 0.290 0.321 0.003  -0.033 -0.013 389 ASP EEE CA  
463  C C   . ASP A 59  ? 0.589 0.297 0.338 0.003  -0.034 -0.020 389 ASP EEE C   
464  O O   . ASP A 59  ? 0.612 0.311 0.345 0.005  -0.033 -0.026 389 ASP EEE O   
465  C CB  . ASP A 59  ? 0.631 0.325 0.339 0.002  -0.016 -0.013 389 ASP EEE CB  
466  C CG  . ASP A 59  ? 0.703 0.384 0.386 -0.001 -0.013 -0.006 389 ASP EEE CG  
467  O OD1 . ASP A 59  ? 0.748 0.409 0.405 0.000  -0.025 -0.005 389 ASP EEE OD1 
468  O OD2 . ASP A 59  ? 0.773 0.463 0.464 -0.004 -0.000 -0.001 389 ASP EEE OD2 
469  N N   . LEU A 60  ? 0.549 0.273 0.331 0.002  -0.036 -0.020 390 LEU EEE N   
470  C CA  . LEU A 60  ? 0.558 0.287 0.356 0.000  -0.035 -0.025 390 LEU EEE CA  
471  C C   . LEU A 60  ? 0.544 0.278 0.362 -0.003 -0.048 -0.026 390 LEU EEE C   
472  O O   . LEU A 60  ? 0.507 0.250 0.338 -0.003 -0.053 -0.023 390 LEU EEE O   
473  C CB  . LEU A 60  ? 0.556 0.298 0.371 0.000  -0.023 -0.022 390 LEU EEE CB  
474  C CG  . LEU A 60  ? 0.579 0.320 0.382 0.003  -0.010 -0.022 390 LEU EEE CG  
475  C CD1 . LEU A 60  ? 0.597 0.351 0.421 0.003  -0.001 -0.020 390 LEU EEE CD1 
476  C CD2 . LEU A 60  ? 0.616 0.346 0.404 0.006  -0.008 -0.030 390 LEU EEE CD2 
477  N N   . CYS A 61  ? 0.522 0.252 0.343 -0.005 -0.052 -0.032 391 CYS EEE N   
478  C CA  . CYS A 61  ? 0.512 0.248 0.356 -0.011 -0.061 -0.035 391 CYS EEE CA  
479  C C   . CYS A 61  ? 0.480 0.220 0.339 -0.015 -0.053 -0.034 391 CYS EEE C   
480  O O   . CYS A 61  ? 0.477 0.208 0.324 -0.013 -0.046 -0.035 391 CYS EEE O   
481  C CB  . CYS A 61  ? 0.560 0.283 0.392 -0.012 -0.075 -0.042 391 CYS EEE CB  
482  S SG  . CYS A 61  ? 0.612 0.326 0.423 -0.008 -0.089 -0.043 391 CYS EEE SG  
483  N N   . PHE A 62  ? 0.454 0.206 0.337 -0.022 -0.054 -0.033 392 PHE EEE N   
484  C CA  . PHE A 62  ? 0.449 0.202 0.345 -0.028 -0.046 -0.032 392 PHE EEE CA  
485  C C   . PHE A 62  ? 0.447 0.204 0.361 -0.038 -0.052 -0.035 392 PHE EEE C   
486  O O   . PHE A 62  ? 0.435 0.202 0.361 -0.039 -0.061 -0.038 392 PHE EEE O   
487  C CB  . PHE A 62  ? 0.436 0.201 0.343 -0.027 -0.035 -0.026 392 PHE EEE CB  
488  C CG  . PHE A 62  ? 0.440 0.203 0.332 -0.018 -0.030 -0.023 392 PHE EEE CG  
489  C CD1 . PHE A 62  ? 0.450 0.203 0.330 -0.015 -0.024 -0.023 392 PHE EEE CD1 
490  C CD2 . PHE A 62  ? 0.448 0.217 0.338 -0.014 -0.030 -0.020 392 PHE EEE CD2 
491  C CE1 . PHE A 62  ? 0.458 0.213 0.329 -0.009 -0.018 -0.022 392 PHE EEE CE1 
492  C CE2 . PHE A 62  ? 0.455 0.222 0.332 -0.009 -0.024 -0.017 392 PHE EEE CE2 
493  C CZ  . PHE A 62  ? 0.456 0.218 0.325 -0.007 -0.017 -0.018 392 PHE EEE CZ  
494  N N   . THR A 63  ? 0.443 0.190 0.357 -0.045 -0.048 -0.036 393 THR EEE N   
495  C CA  . THR A 63  ? 0.457 0.206 0.388 -0.057 -0.052 -0.039 393 THR EEE CA  
496  C C   . THR A 63  ? 0.447 0.217 0.404 -0.064 -0.044 -0.036 393 THR EEE C   
497  O O   . THR A 63  ? 0.455 0.236 0.434 -0.073 -0.047 -0.040 393 THR EEE O   
498  C CB  . THR A 63  ? 0.471 0.196 0.386 -0.062 -0.051 -0.040 393 THR EEE CB  
499  O OG1 . THR A 63  ? 0.468 0.186 0.376 -0.061 -0.040 -0.034 393 THR EEE OG1 
500  C CG2 . THR A 63  ? 0.493 0.199 0.383 -0.054 -0.059 -0.044 393 THR EEE CG2 
501  N N   . ASN A 64  ? 0.447 0.221 0.401 -0.058 -0.033 -0.030 394 ASN EEE N   
502  C CA  . ASN A 64  ? 0.446 0.238 0.420 -0.062 -0.024 -0.028 394 ASN EEE CA  
503  C C   . ASN A 64  ? 0.425 0.220 0.391 -0.052 -0.017 -0.023 394 ASN EEE C   
504  O O   . ASN A 64  ? 0.417 0.198 0.363 -0.047 -0.016 -0.020 394 ASN EEE O   
505  C CB  . ASN A 64  ? 0.480 0.267 0.459 -0.075 -0.014 -0.026 394 ASN EEE CB  
506  C CG  . ASN A 64  ? 0.506 0.313 0.506 -0.080 -0.004 -0.026 394 ASN EEE CG  
507  O OD1 . ASN A 64  ? 0.523 0.352 0.551 -0.082 -0.007 -0.031 394 ASN EEE OD1 
508  N ND2 . ASN A 64  ? 0.540 0.340 0.530 -0.080 0.008  -0.020 394 ASN EEE ND2 
509  N N   . VAL A 65  ? 0.401 0.214 0.384 -0.050 -0.013 -0.022 395 VAL EEE N   
510  C CA  . VAL A 65  ? 0.394 0.208 0.370 -0.043 -0.007 -0.017 395 VAL EEE CA  
511  C C   . VAL A 65  ? 0.380 0.205 0.371 -0.048 0.004  -0.017 395 VAL EEE C   
512  O O   . VAL A 65  ? 0.374 0.215 0.388 -0.053 0.004  -0.021 395 VAL EEE O   
513  C CB  . VAL A 65  ? 0.390 0.211 0.366 -0.033 -0.015 -0.017 395 VAL EEE CB  
514  C CG1 . VAL A 65  ? 0.385 0.207 0.357 -0.027 -0.009 -0.013 395 VAL EEE CG1 
515  C CG2 . VAL A 65  ? 0.393 0.202 0.350 -0.029 -0.023 -0.018 395 VAL EEE CG2 
516  N N   . TYR A 66  ? 0.387 0.203 0.365 -0.046 0.012  -0.012 396 TYR EEE N   
517  C CA  . TYR A 66  ? 0.397 0.221 0.383 -0.049 0.023  -0.011 396 TYR EEE CA  
518  C C   . TYR A 66  ? 0.384 0.208 0.363 -0.038 0.023  -0.009 396 TYR EEE C   
519  O O   . TYR A 66  ? 0.403 0.216 0.366 -0.033 0.019  -0.005 396 TYR EEE O   
520  C CB  . TYR A 66  ? 0.431 0.240 0.403 -0.057 0.033  -0.008 396 TYR EEE CB  
521  C CG  . TYR A 66  ? 0.488 0.295 0.467 -0.070 0.036  -0.011 396 TYR EEE CG  
522  C CD1 . TYR A 66  ? 0.501 0.329 0.506 -0.077 0.042  -0.015 396 TYR EEE CD1 
523  C CD2 . TYR A 66  ? 0.541 0.326 0.502 -0.075 0.033  -0.008 396 TYR EEE CD2 
524  C CE1 . TYR A 66  ? 0.558 0.386 0.573 -0.091 0.046  -0.018 396 TYR EEE CE1 
525  C CE2 . TYR A 66  ? 0.577 0.358 0.544 -0.089 0.036  -0.010 396 TYR EEE CE2 
526  C CZ  . TYR A 66  ? 0.579 0.382 0.573 -0.098 0.042  -0.015 396 TYR EEE CZ  
527  O OH  . TYR A 66  ? 0.705 0.506 0.707 -0.113 0.046  -0.017 396 TYR EEE OH  
528  N N   . ALA A 67  ? 0.368 0.206 0.362 -0.036 0.028  -0.011 397 ALA EEE N   
529  C CA  . ALA A 67  ? 0.365 0.203 0.354 -0.028 0.028  -0.009 397 ALA EEE CA  
530  C C   . ALA A 67  ? 0.361 0.196 0.346 -0.031 0.041  -0.009 397 ALA EEE C   
531  O O   . ALA A 67  ? 0.375 0.223 0.377 -0.035 0.048  -0.013 397 ALA EEE O   
532  C CB  . ALA A 67  ? 0.350 0.202 0.355 -0.020 0.021  -0.012 397 ALA EEE CB  
533  N N   . ASP A 68  ? 0.366 0.183 0.329 -0.031 0.043  -0.004 398 ASP EEE N   
534  C CA  . ASP A 68  ? 0.378 0.186 0.328 -0.034 0.054  -0.003 398 ASP EEE CA  
535  C C   . ASP A 68  ? 0.374 0.180 0.319 -0.025 0.052  -0.003 398 ASP EEE C   
536  O O   . ASP A 68  ? 0.394 0.196 0.335 -0.019 0.042  -0.000 398 ASP EEE O   
537  C CB  . ASP A 68  ? 0.394 0.179 0.319 -0.039 0.055  0.002  398 ASP EEE CB  
538  C CG  . ASP A 68  ? 0.409 0.189 0.334 -0.048 0.055  0.002  398 ASP EEE CG  
539  O OD1 . ASP A 68  ? 0.408 0.203 0.352 -0.054 0.060  -0.002 398 ASP EEE OD1 
540  O OD2 . ASP A 68  ? 0.425 0.186 0.332 -0.048 0.050  0.005  398 ASP EEE OD2 
541  N N   . SER A 69  ? 0.384 0.192 0.330 -0.024 0.061  -0.005 399 SER EEE N   
542  C CA  . SER A 69  ? 0.383 0.189 0.325 -0.016 0.059  -0.006 399 SER EEE CA  
543  C C   . SER A 69  ? 0.404 0.198 0.330 -0.017 0.069  -0.007 399 SER EEE C   
544  O O   . SER A 69  ? 0.411 0.209 0.338 -0.024 0.082  -0.010 399 SER EEE O   
545  C CB  . SER A 69  ? 0.363 0.186 0.327 -0.009 0.054  -0.010 399 SER EEE CB  
546  O OG  . SER A 69  ? 0.369 0.209 0.353 -0.010 0.062  -0.017 399 SER EEE OG  
547  N N   . PHE A 70  ? 0.410 0.192 0.321 -0.011 0.065  -0.006 400 PHE EEE N   
548  C CA  . PHE A 70  ? 0.430 0.194 0.318 -0.011 0.072  -0.007 400 PHE EEE CA  
549  C C   . PHE A 70  ? 0.429 0.182 0.306 -0.004 0.062  -0.006 400 PHE EEE C   
550  O O   . PHE A 70  ? 0.416 0.172 0.302 -0.001 0.051  -0.003 400 PHE EEE O   
551  C CB  . PHE A 70  ? 0.443 0.189 0.308 -0.019 0.075  -0.003 400 PHE EEE CB  
552  C CG  . PHE A 70  ? 0.429 0.166 0.288 -0.019 0.062  0.003  400 PHE EEE CG  
553  C CD1 . PHE A 70  ? 0.431 0.155 0.277 -0.015 0.052  0.005  400 PHE EEE CD1 
554  C CD2 . PHE A 70  ? 0.426 0.169 0.294 -0.024 0.061  0.005  400 PHE EEE CD2 
555  C CE1 . PHE A 70  ? 0.433 0.153 0.278 -0.014 0.041  0.008  400 PHE EEE CE1 
556  C CE2 . PHE A 70  ? 0.421 0.157 0.285 -0.023 0.050  0.008  400 PHE EEE CE2 
557  C CZ  . PHE A 70  ? 0.427 0.153 0.281 -0.018 0.041  0.010  400 PHE EEE CZ  
558  N N   . VAL A 71  ? 0.460 0.197 0.317 -0.003 0.067  -0.008 401 VAL EEE N   
559  C CA  . VAL A 71  ? 0.474 0.195 0.316 0.003  0.057  -0.007 401 VAL EEE CA  
560  C C   . VAL A 71  ? 0.487 0.184 0.301 -0.001 0.054  -0.004 401 VAL EEE C   
561  O O   . VAL A 71  ? 0.499 0.185 0.294 -0.005 0.063  -0.004 401 VAL EEE O   
562  C CB  . VAL A 71  ? 0.491 0.212 0.332 0.009  0.063  -0.014 401 VAL EEE CB  
563  C CG1 . VAL A 71  ? 0.511 0.210 0.331 0.013  0.055  -0.014 401 VAL EEE CG1 
564  C CG2 . VAL A 71  ? 0.478 0.219 0.347 0.015  0.062  -0.018 401 VAL EEE CG2 
565  N N   . ILE A 72  ? 0.481 0.171 0.292 0.001  0.040  -0.001 402 ILE EEE N   
566  C CA  . ILE A 72  ? 0.513 0.180 0.299 0.000  0.031  0.001  402 ILE EEE CA  
567  C C   . ILE A 72  ? 0.514 0.175 0.300 0.004  0.020  -0.001 402 ILE EEE C   
568  O O   . ILE A 72  ? 0.521 0.194 0.324 0.007  0.020  -0.002 402 ILE EEE O   
569  C CB  . ILE A 72  ? 0.494 0.160 0.281 -0.003 0.024  0.005  402 ILE EEE CB  
570  C CG1 . ILE A 72  ? 0.463 0.150 0.278 -0.002 0.017  0.007  402 ILE EEE CG1 
571  C CG2 . ILE A 72  ? 0.507 0.170 0.286 -0.008 0.034  0.007  402 ILE EEE CG2 
572  C CD1 . ILE A 72  ? 0.462 0.152 0.282 -0.004 0.012  0.009  402 ILE EEE CD1 
573  N N   . ARG A 73  ? 0.540 0.182 0.308 0.005  0.009  -0.000 403 ARG EEE N   
574  C CA  . ARG A 73  ? 0.555 0.192 0.325 0.006  -0.003 -0.002 403 ARG EEE CA  
575  C C   . ARG A 73  ? 0.519 0.172 0.313 0.004  -0.012 0.001  403 ARG EEE C   
576  O O   . ARG A 73  ? 0.490 0.152 0.291 0.002  -0.012 0.004  403 ARG EEE O   
577  C CB  . ARG A 73  ? 0.609 0.219 0.349 0.008  -0.010 -0.004 403 ARG EEE CB  
578  C CG  . ARG A 73  ? 0.635 0.232 0.362 0.007  -0.021 -0.002 403 ARG EEE CG  
579  C CD  . ARG A 73  ? 0.694 0.261 0.388 0.009  -0.031 -0.005 403 ARG EEE CD  
580  N NE  . ARG A 73  ? 0.738 0.300 0.434 0.009  -0.049 -0.004 403 ARG EEE NE  
581  C CZ  . ARG A 73  ? 0.818 0.353 0.486 0.011  -0.062 -0.005 403 ARG EEE CZ  
582  N NH1 . ARG A 73  ? 0.902 0.409 0.530 0.012  -0.057 -0.007 403 ARG EEE NH1 
583  N NH2 . ARG A 73  ? 0.826 0.364 0.505 0.013  -0.079 -0.006 403 ARG EEE NH2 
584  N N   . GLY A 74  ? 0.500 0.156 0.305 0.003  -0.019 0.001  404 GLY EEE N   
585  C CA  . GLY A 74  ? 0.478 0.151 0.307 -0.001 -0.025 0.003  404 GLY EEE CA  
586  C C   . GLY A 74  ? 0.477 0.154 0.312 -0.001 -0.033 0.003  404 GLY EEE C   
587  O O   . GLY A 74  ? 0.476 0.170 0.328 -0.003 -0.030 0.005  404 GLY EEE O   
588  N N   . ASP A 75  ? 0.505 0.165 0.324 0.000  -0.043 0.001  405 ASP EEE N   
589  C CA  A ASP A 75  ? 0.509 0.172 0.336 0.001  -0.055 0.000  405 ASP EEE CA  
590  C CA  B ASP A 75  ? 0.510 0.171 0.335 0.001  -0.055 0.000  405 ASP EEE CA  
591  C C   . ASP A 75  ? 0.507 0.166 0.323 0.004  -0.051 0.002  405 ASP EEE C   
592  O O   . ASP A 75  ? 0.486 0.146 0.308 0.006  -0.060 0.001  405 ASP EEE O   
593  C CB  A ASP A 75  ? 0.547 0.193 0.363 0.002  -0.071 -0.004 405 ASP EEE CB  
594  C CB  B ASP A 75  ? 0.551 0.192 0.360 0.003  -0.070 -0.003 405 ASP EEE CB  
595  C CG  A ASP A 75  ? 0.590 0.206 0.368 0.006  -0.074 -0.004 405 ASP EEE CG  
596  C CG  B ASP A 75  ? 0.557 0.204 0.383 -0.002 -0.079 -0.006 405 ASP EEE CG  
597  O OD1 A ASP A 75  ? 0.593 0.201 0.354 0.007  -0.063 -0.002 405 ASP EEE OD1 
598  O OD1 B ASP A 75  ? 0.558 0.224 0.407 -0.006 -0.072 -0.004 405 ASP EEE OD1 
599  O OD2 A ASP A 75  ? 0.635 0.232 0.399 0.006  -0.087 -0.008 405 ASP EEE OD2 
600  O OD2 B ASP A 75  ? 0.582 0.213 0.397 -0.001 -0.093 -0.010 405 ASP EEE OD2 
601  N N   . GLU A 76  ? 0.491 0.146 0.295 0.003  -0.037 0.004  406 GLU EEE N   
602  C CA  . GLU A 76  ? 0.508 0.160 0.304 0.004  -0.031 0.006  406 GLU EEE CA  
603  C C   . GLU A 76  ? 0.473 0.149 0.294 0.002  -0.023 0.008  406 GLU EEE C   
604  O O   . GLU A 76  ? 0.474 0.150 0.293 0.002  -0.021 0.009  406 GLU EEE O   
605  C CB  . GLU A 76  ? 0.533 0.168 0.302 0.002  -0.020 0.007  406 GLU EEE CB  
606  C CG  . GLU A 76  ? 0.570 0.174 0.305 0.004  -0.027 0.006  406 GLU EEE CG  
607  C CD  . GLU A 76  ? 0.606 0.195 0.314 0.002  -0.014 0.006  406 GLU EEE CD  
608  O OE1 . GLU A 76  ? 0.568 0.172 0.289 0.000  0.001  0.005  406 GLU EEE OE1 
609  O OE2 . GLU A 76  ? 0.623 0.182 0.296 0.003  -0.017 0.006  406 GLU EEE OE2 
610  N N   . VAL A 77  ? 0.439 0.133 0.280 0.000  -0.020 0.008  407 VAL EEE N   
611  C CA  . VAL A 77  ? 0.433 0.147 0.293 -0.001 -0.013 0.009  407 VAL EEE CA  
612  C C   . VAL A 77  ? 0.420 0.142 0.292 0.000  -0.019 0.008  407 VAL EEE C   
613  O O   . VAL A 77  ? 0.416 0.144 0.291 0.000  -0.013 0.009  407 VAL EEE O   
614  C CB  . VAL A 77  ? 0.420 0.146 0.294 -0.003 -0.010 0.010  407 VAL EEE CB  
615  C CG1 . VAL A 77  ? 0.415 0.158 0.304 -0.004 -0.005 0.011  407 VAL EEE CG1 
616  C CG2 . VAL A 77  ? 0.438 0.156 0.301 -0.002 -0.005 0.009  407 VAL EEE CG2 
617  N N   . ARG A 78  ? 0.426 0.147 0.302 0.002  -0.030 0.006  408 ARG EEE N   
618  C CA  . ARG A 78  ? 0.432 0.161 0.321 0.006  -0.036 0.003  408 ARG EEE CA  
619  C C   . ARG A 78  ? 0.441 0.155 0.314 0.009  -0.037 0.004  408 ARG EEE C   
620  O O   . ARG A 78  ? 0.427 0.148 0.310 0.012  -0.039 0.002  408 ARG EEE O   
621  C CB  . ARG A 78  ? 0.456 0.184 0.352 0.008  -0.050 -0.000 408 ARG EEE CB  
622  C CG  . ARG A 78  ? 0.491 0.193 0.362 0.010  -0.059 -0.000 408 ARG EEE CG  
623  C CD  . ARG A 78  ? 0.526 0.226 0.405 0.014  -0.077 -0.005 408 ARG EEE CD  
624  N NE  . ARG A 78  ? 0.545 0.245 0.429 0.021  -0.085 -0.008 408 ARG EEE NE  
625  C CZ  . ARG A 78  ? 0.574 0.247 0.431 0.027  -0.094 -0.007 408 ARG EEE CZ  
626  N NH1 . ARG A 78  ? 0.585 0.230 0.407 0.025  -0.094 -0.004 408 ARG EEE NH1 
627  N NH2 . ARG A 78  ? 0.567 0.242 0.433 0.034  -0.103 -0.010 408 ARG EEE NH2 
628  N N   . GLN A 79  ? 0.459 0.151 0.305 0.008  -0.034 0.007  409 GLN EEE N   
629  C CA  . GLN A 79  ? 0.480 0.153 0.306 0.009  -0.034 0.009  409 GLN EEE CA  
630  C C   . GLN A 79  ? 0.473 0.156 0.305 0.004  -0.022 0.010  409 GLN EEE C   
631  O O   . GLN A 79  ? 0.464 0.134 0.284 0.004  -0.021 0.012  409 GLN EEE O   
632  C CB  . GLN A 79  ? 0.509 0.154 0.302 0.007  -0.034 0.011  409 GLN EEE CB  
633  C CG  . GLN A 79  ? 0.529 0.160 0.312 0.011  -0.049 0.009  409 GLN EEE CG  
634  C CD  . GLN A 79  ? 0.569 0.167 0.312 0.010  -0.049 0.011  409 GLN EEE CD  
635  O OE1 . GLN A 79  ? 0.587 0.168 0.308 0.006  -0.041 0.014  409 GLN EEE OE1 
636  N NE2 . GLN A 79  ? 0.580 0.169 0.314 0.012  -0.058 0.009  409 GLN EEE NE2 
637  N N   . ILE A 80  ? 0.449 0.152 0.298 0.001  -0.013 0.011  410 ILE EEE N   
638  C CA  . ILE A 80  ? 0.451 0.165 0.308 -0.002 -0.004 0.011  410 ILE EEE CA  
639  C C   . ILE A 80  ? 0.424 0.153 0.299 0.001  -0.006 0.009  410 ILE EEE C   
640  O O   . ILE A 80  ? 0.414 0.160 0.303 -0.000 -0.003 0.009  410 ILE EEE O   
641  C CB  . ILE A 80  ? 0.438 0.162 0.300 -0.005 0.005  0.012  410 ILE EEE CB  
642  C CG1 . ILE A 80  ? 0.457 0.167 0.303 -0.006 0.009  0.012  410 ILE EEE CG1 
643  C CG2 . ILE A 80  ? 0.432 0.165 0.302 -0.009 0.013  0.012  410 ILE EEE CG2 
644  C CD1 . ILE A 80  ? 0.479 0.169 0.302 -0.009 0.012  0.014  410 ILE EEE CD1 
645  N N   . ALA A 81  ? 0.432 0.152 0.302 0.005  -0.013 0.007  411 ALA EEE N   
646  C CA  . ALA A 81  ? 0.418 0.150 0.304 0.009  -0.017 0.004  411 ALA EEE CA  
647  C C   . ALA A 81  ? 0.452 0.165 0.324 0.013  -0.023 0.003  411 ALA EEE C   
648  O O   . ALA A 81  ? 0.462 0.152 0.314 0.013  -0.027 0.005  411 ALA EEE O   
649  C CB  . ALA A 81  ? 0.400 0.145 0.302 0.013  -0.022 0.001  411 ALA EEE CB  
650  N N   . PRO A 82  ? 0.448 0.167 0.329 0.017  -0.024 -0.001 412 PRO EEE N   
651  C CA  . PRO A 82  ? 0.465 0.164 0.334 0.022  -0.032 -0.003 412 PRO EEE CA  
652  C C   . PRO A 82  ? 0.480 0.170 0.347 0.031  -0.045 -0.006 412 PRO EEE C   
653  O O   . PRO A 82  ? 0.467 0.175 0.354 0.035  -0.049 -0.010 412 PRO EEE O   
654  C CB  . PRO A 82  ? 0.458 0.170 0.340 0.026  -0.029 -0.008 412 PRO EEE CB  
655  C CG  . PRO A 82  ? 0.447 0.186 0.348 0.023  -0.021 -0.009 412 PRO EEE CG  
656  C CD  . PRO A 82  ? 0.433 0.175 0.332 0.017  -0.017 -0.004 412 PRO EEE CD  
657  N N   . GLY A 83  ? 0.511 0.170 0.353 0.032  -0.053 -0.003 413 GLY EEE N   
658  C CA  . GLY A 83  ? 0.548 0.191 0.384 0.042  -0.070 -0.007 413 GLY EEE CA  
659  C C   . GLY A 83  ? 0.539 0.179 0.370 0.042  -0.076 -0.005 413 GLY EEE C   
660  O O   . GLY A 83  ? 0.573 0.209 0.409 0.051  -0.091 -0.009 413 GLY EEE O   
661  N N   . GLN A 84  ? 0.534 0.172 0.354 0.032  -0.066 0.001  414 GLN EEE N   
662  C CA  . GLN A 84  ? 0.552 0.185 0.364 0.032  -0.071 0.002  414 GLN EEE CA  
663  C C   . GLN A 84  ? 0.587 0.180 0.359 0.030  -0.077 0.006  414 GLN EEE C   
664  O O   . GLN A 84  ? 0.605 0.176 0.354 0.026  -0.072 0.010  414 GLN EEE O   
665  C CB  . GLN A 84  ? 0.537 0.188 0.358 0.023  -0.057 0.004  414 GLN EEE CB  
666  C CG  . GLN A 84  ? 0.524 0.209 0.379 0.023  -0.051 0.001  414 GLN EEE CG  
667  C CD  . GLN A 84  ? 0.539 0.238 0.416 0.031  -0.063 -0.005 414 GLN EEE CD  
668  O OE1 . GLN A 84  ? 0.556 0.253 0.434 0.032  -0.073 -0.007 414 GLN EEE OE1 
669  N NE2 . GLN A 84  ? 0.577 0.290 0.473 0.036  -0.063 -0.010 414 GLN EEE NE2 
670  N N   . THR A 85  ? 0.611 0.193 0.372 0.033  -0.087 0.006  415 THR EEE N   
671  C CA  . THR A 85  ? 0.652 0.194 0.369 0.031  -0.092 0.010  415 THR EEE CA  
672  C C   . THR A 85  ? 0.623 0.170 0.336 0.027  -0.088 0.011  415 THR EEE C   
673  O O   . THR A 85  ? 0.577 0.155 0.322 0.026  -0.085 0.007  415 THR EEE O   
674  C CB  . THR A 85  ? 0.689 0.203 0.388 0.041  -0.115 0.008  415 THR EEE CB  
675  O OG1 . THR A 85  ? 0.790 0.261 0.439 0.037  -0.117 0.014  415 THR EEE OG1 
676  C CG2 . THR A 85  ? 0.686 0.215 0.409 0.051  -0.132 0.002  415 THR EEE CG2 
677  N N   . GLY A 86  ? 0.656 0.170 0.329 0.023  -0.087 0.015  416 GLY EEE N   
678  C CA  . GLY A 86  ? 0.650 0.161 0.311 0.019  -0.082 0.015  416 GLY EEE CA  
679  C C   . GLY A 86  ? 0.672 0.167 0.304 0.010  -0.062 0.019  416 GLY EEE C   
680  O O   . GLY A 86  ? 0.676 0.165 0.301 0.005  -0.052 0.023  416 GLY EEE O   
681  N N   . VAL A 87  ? 0.667 0.154 0.282 0.007  -0.055 0.019  417 VAL EEE N   
682  C CA  . VAL A 87  ? 0.689 0.159 0.274 -0.002 -0.035 0.022  417 VAL EEE CA  
683  C C   . VAL A 87  ? 0.647 0.147 0.260 -0.009 -0.015 0.023  417 VAL EEE C   
684  O O   . VAL A 87  ? 0.653 0.141 0.247 -0.018 -0.000 0.026  417 VAL EEE O   
685  C CB  . VAL A 87  ? 0.708 0.167 0.273 -0.002 -0.032 0.020  417 VAL EEE CB  
686  C CG1 . VAL A 87  ? 0.672 0.168 0.275 -0.001 -0.026 0.015  417 VAL EEE CG1 
687  C CG2 . VAL A 87  ? 0.759 0.193 0.284 -0.010 -0.014 0.022  417 VAL EEE CG2 
688  N N   . ILE A 88  ? 0.604 0.141 0.260 -0.007 -0.015 0.020  418 ILE EEE N   
689  C CA  . ILE A 88  ? 0.575 0.140 0.258 -0.012 0.002  0.020  418 ILE EEE CA  
690  C C   . ILE A 88  ? 0.568 0.134 0.259 -0.014 0.000  0.022  418 ILE EEE C   
691  O O   . ILE A 88  ? 0.588 0.151 0.272 -0.022 0.013  0.024  418 ILE EEE O   
692  C CB  . ILE A 88  ? 0.541 0.140 0.261 -0.009 0.002  0.016  418 ILE EEE CB  
693  C CG1 . ILE A 88  ? 0.557 0.150 0.266 -0.007 0.004  0.014  418 ILE EEE CG1 
694  C CG2 . ILE A 88  ? 0.519 0.143 0.264 -0.013 0.015  0.016  418 ILE EEE CG2 
695  C CD1 . ILE A 88  ? 0.577 0.157 0.263 -0.012 0.021  0.013  418 ILE EEE CD1 
696  N N   . ALA A 89  ? 0.562 0.131 0.265 -0.007 -0.015 0.021  419 ALA EEE N   
697  C CA  . ALA A 89  ? 0.562 0.132 0.272 -0.007 -0.018 0.022  419 ALA EEE CA  
698  C C   . ALA A 89  ? 0.609 0.140 0.280 -0.012 -0.017 0.027  419 ALA EEE C   
699  O O   . ALA A 89  ? 0.602 0.130 0.272 -0.019 -0.009 0.029  419 ALA EEE O   
700  C CB  . ALA A 89  ? 0.547 0.127 0.278 0.002  -0.034 0.019  419 ALA EEE CB  
701  N N   . ASP A 90  ? 0.650 0.150 0.286 -0.010 -0.026 0.028  420 ASP EEE N   
702  C CA  . ASP A 90  ? 0.704 0.160 0.296 -0.015 -0.028 0.033  420 ASP EEE CA  
703  C C   . ASP A 90  ? 0.721 0.168 0.293 -0.029 -0.005 0.037  420 ASP EEE C   
704  O O   . ASP A 90  ? 0.749 0.175 0.302 -0.037 0.001  0.041  420 ASP EEE O   
705  C CB  . ASP A 90  ? 0.753 0.175 0.312 -0.007 -0.047 0.034  420 ASP EEE CB  
706  C CG  . ASP A 90  ? 0.752 0.183 0.333 0.007  -0.071 0.029  420 ASP EEE CG  
707  O OD1 . ASP A 90  ? 0.738 0.198 0.356 0.010  -0.070 0.026  420 ASP EEE OD1 
708  O OD2 . ASP A 90  ? 0.794 0.202 0.355 0.015  -0.089 0.028  420 ASP EEE OD2 
709  N N   . TYR A 91  ? 0.706 0.166 0.280 -0.032 0.007  0.035  421 TYR EEE N   
710  C CA  . TYR A 91  ? 0.730 0.176 0.278 -0.044 0.029  0.037  421 TYR EEE CA  
711  C C   . TYR A 91  ? 0.692 0.178 0.276 -0.050 0.050  0.034  421 TYR EEE C   
712  O O   . TYR A 91  ? 0.712 0.192 0.281 -0.061 0.070  0.034  421 TYR EEE O   
713  C CB  . TYR A 91  ? 0.770 0.191 0.283 -0.041 0.027  0.037  421 TYR EEE CB  
714  C CG  . TYR A 91  ? 0.814 0.189 0.281 -0.036 0.008  0.040  421 TYR EEE CG  
715  C CD1 . TYR A 91  ? 0.838 0.190 0.292 -0.035 -0.005 0.045  421 TYR EEE CD1 
716  C CD2 . TYR A 91  ? 0.846 0.197 0.280 -0.032 0.002  0.039  421 TYR EEE CD2 
717  C CE1 . TYR A 91  ? 0.887 0.194 0.298 -0.029 -0.025 0.047  421 TYR EEE CE1 
718  C CE2 . TYR A 91  ? 0.896 0.202 0.286 -0.027 -0.018 0.042  421 TYR EEE CE2 
719  C CZ  . TYR A 91  ? 0.914 0.198 0.293 -0.025 -0.032 0.046  421 TYR EEE CZ  
720  O OH  . TYR A 91  ? 0.975 0.212 0.309 -0.018 -0.054 0.049  421 TYR EEE OH  
721  N N   . ASN A 92  ? 0.643 0.166 0.271 -0.044 0.046  0.030  422 ASN EEE N   
722  C CA  . ASN A 92  ? 0.620 0.180 0.282 -0.047 0.061  0.025  422 ASN EEE CA  
723  C C   . ASN A 92  ? 0.591 0.180 0.291 -0.048 0.061  0.024  422 ASN EEE C   
724  O O   . ASN A 92  ? 0.590 0.195 0.305 -0.056 0.076  0.023  422 ASN EEE O   
725  C CB  . ASN A 92  ? 0.604 0.178 0.277 -0.038 0.058  0.021  422 ASN EEE CB  
726  C CG  . ASN A 92  ? 0.637 0.185 0.273 -0.038 0.063  0.020  422 ASN EEE CG  
727  O OD1 . ASN A 92  ? 0.665 0.218 0.298 -0.043 0.081  0.018  422 ASN EEE OD1 
728  N ND2 . ASN A 92  ? 0.668 0.186 0.275 -0.033 0.047  0.023  422 ASN EEE ND2 
729  N N   . TYR A 93  ? 0.563 0.164 0.282 -0.039 0.046  0.023  423 TYR EEE N   
730  C CA  . TYR A 93  ? 0.530 0.157 0.283 -0.039 0.044  0.022  423 TYR EEE CA  
731  C C   . TYR A 93  ? 0.523 0.144 0.277 -0.032 0.028  0.022  423 TYR EEE C   
732  O O   . TYR A 93  ? 0.509 0.134 0.269 -0.023 0.017  0.021  423 TYR EEE O   
733  C CB  . TYR A 93  ? 0.490 0.150 0.274 -0.034 0.046  0.018  423 TYR EEE CB  
734  C CG  . TYR A 93  ? 0.463 0.146 0.276 -0.035 0.046  0.016  423 TYR EEE CG  
735  C CD1 . TYR A 93  ? 0.470 0.165 0.295 -0.043 0.056  0.014  423 TYR EEE CD1 
736  C CD2 . TYR A 93  ? 0.448 0.140 0.274 -0.028 0.034  0.015  423 TYR EEE CD2 
737  C CE1 . TYR A 93  ? 0.449 0.163 0.298 -0.043 0.054  0.013  423 TYR EEE CE1 
738  C CE2 . TYR A 93  ? 0.435 0.145 0.282 -0.028 0.034  0.014  423 TYR EEE CE2 
739  C CZ  . TYR A 93  ? 0.433 0.153 0.291 -0.036 0.042  0.012  423 TYR EEE CZ  
740  O OH  . TYR A 93  ? 0.429 0.164 0.306 -0.036 0.039  0.010  423 TYR EEE OH  
741  N N   . LYS A 94  ? 0.547 0.160 0.299 -0.036 0.026  0.024  424 LYS EEE N   
742  C CA  . LYS A 94  ? 0.550 0.152 0.299 -0.028 0.011  0.023  424 LYS EEE CA  
743  C C   . LYS A 94  ? 0.531 0.156 0.308 -0.027 0.011  0.020  424 LYS EEE C   
744  O O   . LYS A 94  ? 0.539 0.164 0.319 -0.036 0.017  0.021  424 LYS EEE O   
745  C CB  . LYS A 94  ? 0.597 0.161 0.312 -0.033 0.008  0.027  424 LYS EEE CB  
746  C CG  . LYS A 94  ? 0.602 0.151 0.312 -0.024 -0.009 0.026  424 LYS EEE CG  
747  C CD  . LYS A 94  ? 0.596 0.154 0.317 -0.011 -0.023 0.023  424 LYS EEE CD  
748  C CE  . LYS A 94  ? 0.618 0.157 0.332 -0.000 -0.040 0.021  424 LYS EEE CE  
749  N NZ  . LYS A 94  ? 0.607 0.164 0.342 0.012  -0.052 0.016  424 LYS EEE NZ  
750  N N   . LEU A 95  ? 0.516 0.158 0.311 -0.018 0.002  0.017  425 LEU EEE N   
751  C CA  . LEU A 95  ? 0.525 0.184 0.341 -0.015 0.000  0.014  425 LEU EEE CA  
752  C C   . LEU A 95  ? 0.530 0.168 0.334 -0.011 -0.009 0.013  425 LEU EEE C   
753  O O   . LEU A 95  ? 0.546 0.165 0.335 -0.005 -0.019 0.013  425 LEU EEE O   
754  C CB  . LEU A 95  ? 0.494 0.179 0.333 -0.008 -0.002 0.011  425 LEU EEE CB  
755  C CG  . LEU A 95  ? 0.503 0.209 0.356 -0.012 0.006  0.011  425 LEU EEE CG  
756  C CD1 . LEU A 95  ? 0.490 0.216 0.362 -0.006 0.004  0.009  425 LEU EEE CD1 
757  C CD2 . LEU A 95  ? 0.499 0.212 0.359 -0.019 0.014  0.011  425 LEU EEE CD2 
758  N N   . PRO A 96  ? 0.534 0.175 0.345 -0.013 -0.009 0.011  426 PRO EEE N   
759  C CA  . PRO A 96  ? 0.544 0.166 0.345 -0.007 -0.019 0.008  426 PRO EEE CA  
760  C C   . PRO A 96  ? 0.528 0.161 0.342 0.007  -0.028 0.003  426 PRO EEE C   
761  O O   . PRO A 96  ? 0.500 0.161 0.335 0.009  -0.024 0.001  426 PRO EEE O   
762  C CB  . PRO A 96  ? 0.549 0.177 0.358 -0.012 -0.016 0.006  426 PRO EEE CB  
763  C CG  . PRO A 96  ? 0.523 0.176 0.349 -0.020 -0.005 0.007  426 PRO EEE CG  
764  C CD  . PRO A 96  ? 0.514 0.176 0.342 -0.020 -0.000 0.010  426 PRO EEE CD  
765  N N   . ASP A 97  ? 0.550 0.163 0.353 0.015  -0.040 0.001  427 ASP EEE N   
766  C CA  . ASP A 97  ? 0.554 0.178 0.373 0.029  -0.049 -0.006 427 ASP EEE CA  
767  C C   . ASP A 97  ? 0.512 0.163 0.354 0.032  -0.043 -0.012 427 ASP EEE C   
768  O O   . ASP A 97  ? 0.497 0.171 0.359 0.039  -0.043 -0.017 427 ASP EEE O   
769  C CB  . ASP A 97  ? 0.589 0.183 0.392 0.039  -0.064 -0.009 427 ASP EEE CB  
770  C CG  . ASP A 97  ? 0.646 0.207 0.419 0.037  -0.072 -0.003 427 ASP EEE CG  
771  O OD1 . ASP A 97  ? 0.616 0.182 0.386 0.031  -0.067 0.002  427 ASP EEE OD1 
772  O OD2 . ASP A 97  ? 0.653 0.183 0.406 0.043  -0.084 -0.003 427 ASP EEE OD2 
773  N N   . ASP A 98  ? 0.493 0.141 0.330 0.025  -0.037 -0.012 428 ASP EEE N   
774  C CA  . ASP A 98  ? 0.477 0.142 0.327 0.027  -0.033 -0.017 428 ASP EEE CA  
775  C C   . ASP A 98  ? 0.444 0.128 0.302 0.017  -0.022 -0.014 428 ASP EEE C   
776  O O   . ASP A 98  ? 0.440 0.128 0.300 0.014  -0.019 -0.016 428 ASP EEE O   
777  C CB  . ASP A 98  ? 0.497 0.140 0.334 0.029  -0.038 -0.021 428 ASP EEE CB  
778  C CG  . ASP A 98  ? 0.511 0.133 0.331 0.016  -0.036 -0.015 428 ASP EEE CG  
779  O OD1 . ASP A 98  ? 0.501 0.123 0.318 0.007  -0.032 -0.008 428 ASP EEE OD1 
780  O OD2 . ASP A 98  ? 0.531 0.138 0.342 0.014  -0.039 -0.018 428 ASP EEE OD2 
781  N N   . PHE A 99  ? 0.436 0.129 0.298 0.012  -0.018 -0.009 429 PHE EEE N   
782  C CA  . PHE A 99  ? 0.429 0.138 0.299 0.003  -0.009 -0.005 429 PHE EEE CA  
783  C C   . PHE A 99  ? 0.412 0.140 0.293 0.005  -0.006 -0.009 429 PHE EEE C   
784  O O   . PHE A 99  ? 0.401 0.141 0.290 0.012  -0.006 -0.012 429 PHE EEE O   
785  C CB  . PHE A 99  ? 0.417 0.135 0.291 0.002  -0.006 -0.002 429 PHE EEE CB  
786  C CG  . PHE A 99  ? 0.409 0.142 0.292 -0.004 0.001  0.001  429 PHE EEE CG  
787  C CD1 . PHE A 99  ? 0.407 0.138 0.288 -0.012 0.005  0.002  429 PHE EEE CD1 
788  C CD2 . PHE A 99  ? 0.396 0.146 0.290 -0.002 0.003  0.001  429 PHE EEE CD2 
789  C CE1 . PHE A 99  ? 0.421 0.167 0.313 -0.016 0.009  0.003  429 PHE EEE CE1 
790  C CE2 . PHE A 99  ? 0.387 0.148 0.287 -0.006 0.007  0.003  429 PHE EEE CE2 
791  C CZ  . PHE A 99  ? 0.392 0.152 0.291 -0.012 0.010  0.004  429 PHE EEE CZ  
792  N N   . THR A 100 ? 0.417 0.146 0.297 -0.001 -0.004 -0.009 430 THR EEE N   
793  C CA  . THR A 100 ? 0.417 0.160 0.303 -0.001 -0.002 -0.011 430 THR EEE CA  
794  C C   . THR A 100 ? 0.401 0.155 0.294 -0.007 0.002  -0.007 430 THR EEE C   
795  O O   . THR A 100 ? 0.391 0.143 0.286 -0.013 0.002  -0.005 430 THR EEE O   
796  C CB  . THR A 100 ? 0.437 0.170 0.316 -0.001 -0.005 -0.016 430 THR EEE CB  
797  O OG1 . THR A 100 ? 0.450 0.170 0.322 0.005  -0.009 -0.020 430 THR EEE OG1 
798  C CG2 . THR A 100 ? 0.436 0.180 0.315 0.001  -0.004 -0.019 430 THR EEE CG2 
799  N N   . GLY A 101 ? 0.396 0.163 0.295 -0.004 0.004  -0.006 431 GLY EEE N   
800  C CA  . GLY A 101 ? 0.386 0.162 0.291 -0.008 0.006  -0.002 431 GLY EEE CA  
801  C C   . GLY A 101 ? 0.378 0.161 0.286 -0.005 0.009  0.000  431 GLY EEE C   
802  O O   . GLY A 101 ? 0.373 0.159 0.281 -0.002 0.010  -0.001 431 GLY EEE O   
803  N N   . CYS A 102 ? 0.369 0.157 0.281 -0.007 0.010  0.003  432 CYS EEE N   
804  C CA  . CYS A 102 ? 0.363 0.155 0.277 -0.006 0.011  0.006  432 CYS EEE CA  
805  C C   . CYS A 102 ? 0.364 0.153 0.280 -0.007 0.012  0.008  432 CYS EEE C   
806  O O   . CYS A 102 ? 0.379 0.167 0.297 -0.009 0.014  0.007  432 CYS EEE O   
807  C CB  . CYS A 102 ? 0.376 0.172 0.289 -0.006 0.010  0.007  432 CYS EEE CB  
808  S SG  . CYS A 102 ? 0.402 0.197 0.306 -0.006 0.010  0.005  432 CYS EEE SG  
809  N N   . VAL A 103 ? 0.363 0.152 0.279 -0.006 0.013  0.009  433 VAL EEE N   
810  C CA  . VAL A 103 ? 0.362 0.146 0.276 -0.007 0.013  0.011  433 VAL EEE CA  
811  C C   . VAL A 103 ? 0.356 0.143 0.272 -0.006 0.012  0.013  433 VAL EEE C   
812  O O   . VAL A 103 ? 0.354 0.144 0.272 -0.007 0.012  0.013  433 VAL EEE O   
813  C CB  . VAL A 103 ? 0.367 0.144 0.277 -0.006 0.011  0.010  433 VAL EEE CB  
814  C CG1 . VAL A 103 ? 0.381 0.150 0.285 -0.006 0.010  0.011  433 VAL EEE CG1 
815  C CG2 . VAL A 103 ? 0.387 0.157 0.292 -0.006 0.010  0.009  433 VAL EEE CG2 
816  N N   . ILE A 104 ? 0.369 0.155 0.286 -0.006 0.013  0.013  434 ILE EEE N   
817  C CA  . ILE A 104 ? 0.367 0.150 0.282 -0.005 0.011  0.015  434 ILE EEE CA  
818  C C   . ILE A 104 ? 0.369 0.146 0.282 -0.003 0.011  0.014  434 ILE EEE C   
819  O O   . ILE A 104 ? 0.372 0.150 0.286 -0.002 0.015  0.012  434 ILE EEE O   
820  C CB  . ILE A 104 ? 0.380 0.166 0.297 -0.003 0.009  0.015  434 ILE EEE CB  
821  C CG1 . ILE A 104 ? 0.409 0.199 0.324 -0.005 0.008  0.016  434 ILE EEE CG1 
822  C CG2 . ILE A 104 ? 0.375 0.154 0.288 -0.001 0.005  0.017  434 ILE EEE CG2 
823  C CD1 . ILE A 104 ? 0.424 0.214 0.338 -0.003 0.004  0.015  434 ILE EEE CD1 
824  N N   . ALA A 105 ? 0.363 0.133 0.272 -0.004 0.009  0.015  435 ALA EEE N   
825  C CA  . ALA A 105 ? 0.364 0.124 0.267 -0.002 0.008  0.014  435 ALA EEE CA  
826  C C   . ALA A 105 ? 0.376 0.129 0.276 -0.001 0.004  0.015  435 ALA EEE C   
827  O O   . ALA A 105 ? 0.376 0.129 0.277 -0.004 0.002  0.018  435 ALA EEE O   
828  C CB  . ALA A 105 ? 0.372 0.127 0.270 -0.003 0.007  0.013  435 ALA EEE CB  
829  N N   . TRP A 106 ? 0.387 0.131 0.282 0.003  0.004  0.013  436 TRP EEE N   
830  C CA  . TRP A 106 ? 0.395 0.127 0.284 0.004  -0.001 0.014  436 TRP EEE CA  
831  C C   . TRP A 106 ? 0.403 0.123 0.284 0.008  -0.002 0.010  436 TRP EEE C   
832  O O   . TRP A 106 ? 0.402 0.126 0.282 0.011  0.004  0.006  436 TRP EEE O   
833  C CB  . TRP A 106 ? 0.399 0.131 0.291 0.009  -0.004 0.014  436 TRP EEE CB  
834  C CG  . TRP A 106 ? 0.404 0.142 0.303 0.016  -0.001 0.009  436 TRP EEE CG  
835  C CD1 . TRP A 106 ? 0.422 0.154 0.321 0.024  -0.003 0.004  436 TRP EEE CD1 
836  C CD2 . TRP A 106 ? 0.401 0.156 0.312 0.017  0.003  0.007  436 TRP EEE CD2 
837  N NE1 . TRP A 106 ? 0.419 0.166 0.331 0.030  0.001  -0.001 436 TRP EEE NE1 
838  C CE2 . TRP A 106 ? 0.409 0.169 0.329 0.025  0.005  0.001  436 TRP EEE CE2 
839  C CE3 . TRP A 106 ? 0.384 0.149 0.299 0.012  0.005  0.009  436 TRP EEE CE3 
840  C CZ2 . TRP A 106 ? 0.404 0.182 0.340 0.026  0.009  -0.003 436 TRP EEE CZ2 
841  C CZ3 . TRP A 106 ? 0.384 0.162 0.311 0.013  0.008  0.006  436 TRP EEE CZ3 
842  C CH2 . TRP A 106 ? 0.388 0.173 0.326 0.019  0.010  0.000  436 TRP EEE CH2 
843  N N   . ASN A 107 ? 0.421 0.127 0.294 0.006  -0.008 0.010  437 ASN EEE N   
844  C CA  . ASN A 107 ? 0.431 0.120 0.292 0.010  -0.009 0.006  437 ASN EEE CA  
845  C C   . ASN A 107 ? 0.442 0.130 0.303 0.019  -0.007 0.002  437 ASN EEE C   
846  O O   . ASN A 107 ? 0.453 0.139 0.317 0.022  -0.011 0.003  437 ASN EEE O   
847  C CB  . ASN A 107 ? 0.451 0.125 0.305 0.005  -0.018 0.008  437 ASN EEE CB  
848  C CG  . ASN A 107 ? 0.467 0.122 0.306 0.008  -0.021 0.003  437 ASN EEE CG  
849  O OD1 . ASN A 107 ? 0.486 0.132 0.319 0.016  -0.020 -0.001 437 ASN EEE OD1 
850  N ND2 . ASN A 107 ? 0.492 0.141 0.326 0.004  -0.026 0.003  437 ASN EEE ND2 
851  N N   . SER A 108 ? 0.447 0.134 0.303 0.024  -0.000 -0.004 438 SER EEE N   
852  C CA  . SER A 108 ? 0.451 0.141 0.311 0.034  0.004  -0.011 438 SER EEE CA  
853  C C   . SER A 108 ? 0.477 0.148 0.320 0.039  0.004  -0.017 438 SER EEE C   
854  O O   . SER A 108 ? 0.489 0.162 0.333 0.047  0.012  -0.024 438 SER EEE O   
855  C CB  . SER A 108 ? 0.437 0.146 0.309 0.035  0.015  -0.013 438 SER EEE CB  
856  O OG  . SER A 108 ? 0.437 0.143 0.297 0.030  0.022  -0.014 438 SER EEE OG  
857  N N   . ASN A 109 ? 0.499 0.150 0.327 0.035  -0.004 -0.014 439 ASN EEE N   
858  C CA  . ASN A 109 ? 0.520 0.148 0.329 0.039  -0.007 -0.020 439 ASN EEE CA  
859  C C   . ASN A 109 ? 0.536 0.159 0.347 0.052  -0.006 -0.027 439 ASN EEE C   
860  O O   . ASN A 109 ? 0.552 0.167 0.351 0.059  0.001  -0.035 439 ASN EEE O   
861  C CB  . ASN A 109 ? 0.534 0.142 0.332 0.033  -0.019 -0.017 439 ASN EEE CB  
862  C CG  . ASN A 109 ? 0.571 0.156 0.346 0.035  -0.023 -0.023 439 ASN EEE CG  
863  O OD1 . ASN A 109 ? 0.588 0.171 0.350 0.038  -0.015 -0.027 439 ASN EEE OD1 
864  N ND2 . ASN A 109 ? 0.593 0.157 0.359 0.033  -0.034 -0.023 439 ASN EEE ND2 
865  N N   . ASN A 110 ? 0.535 0.160 0.357 0.054  -0.012 -0.024 440 ASN EEE N   
866  C CA  . ASN A 110 ? 0.566 0.182 0.389 0.067  -0.016 -0.031 440 ASN EEE CA  
867  C C   . ASN A 110 ? 0.556 0.193 0.394 0.077  -0.003 -0.040 440 ASN EEE C   
868  O O   . ASN A 110 ? 0.575 0.203 0.407 0.088  0.000  -0.050 440 ASN EEE O   
869  C CB  . ASN A 110 ? 0.568 0.179 0.397 0.068  -0.027 -0.026 440 ASN EEE CB  
870  C CG  . ASN A 110 ? 0.598 0.195 0.426 0.083  -0.033 -0.033 440 ASN EEE CG  
871  O OD1 . ASN A 110 ? 0.650 0.219 0.461 0.086  -0.042 -0.034 440 ASN EEE OD1 
872  N ND2 . ASN A 110 ? 0.601 0.218 0.449 0.093  -0.030 -0.038 440 ASN EEE ND2 
873  N N   . LEU A 111 ? 0.534 0.198 0.390 0.073  0.005  -0.038 441 LEU EEE N   
874  C CA  . LEU A 111 ? 0.541 0.229 0.416 0.080  0.018  -0.046 441 LEU EEE CA  
875  C C   . LEU A 111 ? 0.544 0.234 0.407 0.076  0.033  -0.050 441 LEU EEE C   
876  O O   . LEU A 111 ? 0.568 0.270 0.440 0.083  0.046  -0.060 441 LEU EEE O   
877  C CB  . LEU A 111 ? 0.525 0.239 0.424 0.076  0.019  -0.042 441 LEU EEE CB  
878  C CG  . LEU A 111 ? 0.536 0.249 0.446 0.082  0.005  -0.040 441 LEU EEE CG  
879  C CD1 . LEU A 111 ? 0.519 0.256 0.449 0.077  0.005  -0.037 441 LEU EEE CD1 
880  C CD2 . LEU A 111 ? 0.554 0.266 0.474 0.098  0.001  -0.051 441 LEU EEE CD2 
881  N N   . ASP A 112 ? 0.538 0.218 0.384 0.065  0.033  -0.043 442 ASP EEE N   
882  C CA  . ASP A 112 ? 0.561 0.244 0.395 0.058  0.047  -0.044 442 ASP EEE CA  
883  C C   . ASP A 112 ? 0.591 0.246 0.393 0.059  0.047  -0.047 442 ASP EEE C   
884  O O   . ASP A 112 ? 0.644 0.296 0.430 0.055  0.059  -0.049 442 ASP EEE O   
885  C CB  . ASP A 112 ? 0.524 0.217 0.363 0.047  0.046  -0.035 442 ASP EEE CB  
886  C CG  . ASP A 112 ? 0.504 0.225 0.372 0.046  0.051  -0.035 442 ASP EEE CG  
887  O OD1 . ASP A 112 ? 0.497 0.233 0.381 0.052  0.060  -0.043 442 ASP EEE OD1 
888  O OD2 . ASP A 112 ? 0.491 0.218 0.365 0.039  0.046  -0.027 442 ASP EEE OD2 
889  N N   . SER A 113 ? 0.604 0.237 0.393 0.061  0.033  -0.046 443 SER EEE N   
890  C CA  A SER A 113 ? 0.634 0.238 0.390 0.063  0.031  -0.050 443 SER EEE CA  
891  C CA  B SER A 113 ? 0.639 0.243 0.396 0.063  0.031  -0.050 443 SER EEE CA  
892  C C   . SER A 113 ? 0.676 0.271 0.428 0.076  0.036  -0.062 443 SER EEE C   
893  O O   . SER A 113 ? 0.656 0.261 0.428 0.084  0.032  -0.064 443 SER EEE O   
894  C CB  A SER A 113 ? 0.630 0.215 0.376 0.056  0.013  -0.044 443 SER EEE CB  
895  C CB  B SER A 113 ? 0.642 0.227 0.388 0.057  0.013  -0.044 443 SER EEE CB  
896  O OG  A SER A 113 ? 0.595 0.191 0.349 0.046  0.010  -0.035 443 SER EEE OG  
897  O OG  B SER A 113 ? 0.649 0.224 0.401 0.063  0.003  -0.047 443 SER EEE OG  
898  N N   . LYS A 114 ? 0.726 0.303 0.449 0.078  0.044  -0.069 444 LYS EEE N   
899  C CA  . LYS A 114 ? 0.781 0.346 0.495 0.092  0.049  -0.081 444 LYS EEE CA  
900  C C   . LYS A 114 ? 0.803 0.330 0.478 0.092  0.040  -0.084 444 LYS EEE C   
901  O O   . LYS A 114 ? 0.766 0.280 0.417 0.083  0.039  -0.079 444 LYS EEE O   
902  C CB  . LYS A 114 ? 0.848 0.431 0.567 0.097  0.073  -0.090 444 LYS EEE CB  
903  C CG  . LYS A 114 ? 0.898 0.520 0.657 0.095  0.081  -0.088 444 LYS EEE CG  
904  C CD  . LYS A 114 ? 0.973 0.618 0.749 0.103  0.103  -0.100 444 LYS EEE CD  
905  C CE  . LYS A 114 ? 1.018 0.698 0.840 0.106  0.102  -0.101 444 LYS EEE CE  
906  N NZ  . LYS A 114 ? 1.067 0.778 0.910 0.105  0.126  -0.109 444 LYS EEE NZ  
907  N N   . VAL A 115 ? 0.822 0.329 0.488 0.103  0.033  -0.092 445 VAL EEE N   
908  C CA  . VAL A 115 ? 0.866 0.335 0.491 0.105  0.027  -0.098 445 VAL EEE CA  
909  C C   . VAL A 115 ? 0.879 0.346 0.479 0.105  0.047  -0.104 445 VAL EEE C   
910  O O   . VAL A 115 ? 0.868 0.357 0.484 0.112  0.067  -0.111 445 VAL EEE O   
911  C CB  . VAL A 115 ? 0.911 0.359 0.531 0.118  0.019  -0.107 445 VAL EEE CB  
912  C CG1 . VAL A 115 ? 0.937 0.404 0.575 0.134  0.035  -0.119 445 VAL EEE CG1 
913  C CG2 . VAL A 115 ? 0.955 0.362 0.532 0.119  0.010  -0.113 445 VAL EEE CG2 
914  N N   . GLY A 116 ? 0.900 0.343 0.466 0.097  0.042  -0.101 446 GLY EEE N   
915  C CA  . GLY A 116 ? 0.932 0.365 0.466 0.095  0.060  -0.105 446 GLY EEE CA  
916  C C   . GLY A 116 ? 0.896 0.349 0.439 0.083  0.067  -0.094 446 GLY EEE C   
917  O O   . GLY A 116 ? 0.918 0.353 0.426 0.077  0.073  -0.093 446 GLY EEE O   
918  N N   . GLY A 117 ? 0.848 0.332 0.432 0.079  0.065  -0.087 447 GLY EEE N   
919  C CA  . GLY A 117 ? 0.831 0.334 0.426 0.067  0.069  -0.077 447 GLY EEE CA  
920  C C   . GLY A 117 ? 0.809 0.347 0.435 0.068  0.090  -0.079 447 GLY EEE C   
921  O O   . GLY A 117 ? 0.813 0.354 0.434 0.074  0.109  -0.089 447 GLY EEE O   
922  N N   . ASN A 118 ? 0.780 0.345 0.439 0.062  0.086  -0.070 448 ASN EEE N   
923  C CA  . ASN A 118 ? 0.777 0.375 0.465 0.059  0.104  -0.071 448 ASN EEE CA  
924  C C   . ASN A 118 ? 0.804 0.394 0.469 0.047  0.115  -0.066 448 ASN EEE C   
925  O O   . ASN A 118 ? 0.825 0.408 0.484 0.039  0.102  -0.056 448 ASN EEE O   
926  C CB  . ASN A 118 ? 0.744 0.368 0.473 0.057  0.093  -0.064 448 ASN EEE CB  
927  C CG  . ASN A 118 ? 0.709 0.368 0.471 0.056  0.109  -0.067 448 ASN EEE CG  
928  O OD1 . ASN A 118 ? 0.747 0.413 0.505 0.055  0.129  -0.073 448 ASN EEE OD1 
929  N ND2 . ASN A 118 ? 0.671 0.351 0.466 0.056  0.099  -0.062 448 ASN EEE ND2 
930  N N   . TYR A 119 ? 0.823 0.416 0.477 0.046  0.139  -0.072 449 TYR EEE N   
931  C CA  . TYR A 119 ? 0.871 0.453 0.499 0.033  0.151  -0.066 449 TYR EEE CA  
932  C C   . TYR A 119 ? 0.830 0.446 0.492 0.025  0.166  -0.064 449 TYR EEE C   
933  O O   . TYR A 119 ? 0.859 0.468 0.502 0.013  0.179  -0.060 449 TYR EEE O   
934  C CB  . TYR A 119 ? 0.935 0.488 0.516 0.034  0.167  -0.073 449 TYR EEE CB  
935  C CG  . TYR A 119 ? 1.002 0.519 0.548 0.041  0.147  -0.074 449 TYR EEE CG  
936  C CD1 . TYR A 119 ? 1.026 0.512 0.538 0.034  0.130  -0.065 449 TYR EEE CD1 
937  C CD2 . TYR A 119 ? 1.018 0.533 0.570 0.053  0.142  -0.083 449 TYR EEE CD2 
938  C CE1 . TYR A 119 ? 1.070 0.526 0.555 0.040  0.110  -0.066 449 TYR EEE CE1 
939  C CE2 . TYR A 119 ? 1.066 0.548 0.589 0.058  0.122  -0.084 449 TYR EEE CE2 
940  C CZ  . TYR A 119 ? 1.084 0.537 0.574 0.051  0.106  -0.076 449 TYR EEE CZ  
941  O OH  . TYR A 119 ? 1.167 0.590 0.632 0.055  0.085  -0.077 449 TYR EEE OH  
942  N N   . ASN A 120 ? 0.783 0.434 0.494 0.030  0.162  -0.067 450 ASN EEE N   
943  C CA  . ASN A 120 ? 0.756 0.440 0.503 0.023  0.173  -0.065 450 ASN EEE CA  
944  C C   . ASN A 120 ? 0.718 0.397 0.463 0.012  0.160  -0.053 450 ASN EEE C   
945  O O   . ASN A 120 ? 0.727 0.420 0.483 0.001  0.172  -0.050 450 ASN EEE O   
946  C CB  . ASN A 120 ? 0.752 0.471 0.549 0.032  0.169  -0.072 450 ASN EEE CB  
947  C CG  . ASN A 120 ? 0.833 0.567 0.644 0.042  0.186  -0.086 450 ASN EEE CG  
948  O OD1 . ASN A 120 ? 0.886 0.610 0.673 0.040  0.205  -0.092 450 ASN EEE OD1 
949  N ND2 . ASN A 120 ? 0.854 0.613 0.704 0.054  0.179  -0.093 450 ASN EEE ND2 
950  N N   . TYR A 121 ? 0.670 0.331 0.403 0.014  0.138  -0.046 451 TYR EEE N   
951  C CA  . TYR A 121 ? 0.636 0.296 0.372 0.006  0.126  -0.035 451 TYR EEE CA  
952  C C   . TYR A 121 ? 0.670 0.297 0.361 -0.001 0.125  -0.029 451 TYR EEE C   
953  O O   . TYR A 121 ? 0.665 0.264 0.325 0.003  0.116  -0.030 451 TYR EEE O   
954  C CB  . TYR A 121 ? 0.611 0.274 0.362 0.012  0.104  -0.031 451 TYR EEE CB  
955  C CG  . TYR A 121 ? 0.579 0.273 0.372 0.017  0.101  -0.034 451 TYR EEE CG  
956  C CD1 . TYR A 121 ? 0.548 0.266 0.369 0.012  0.104  -0.032 451 TYR EEE CD1 
957  C CD2 . TYR A 121 ? 0.583 0.278 0.385 0.028  0.095  -0.039 451 TYR EEE CD2 
958  C CE1 . TYR A 121 ? 0.533 0.275 0.388 0.018  0.100  -0.035 451 TYR EEE CE1 
959  C CE2 . TYR A 121 ? 0.556 0.274 0.391 0.034  0.091  -0.042 451 TYR EEE CE2 
960  C CZ  . TYR A 121 ? 0.542 0.283 0.404 0.029  0.093  -0.040 451 TYR EEE CZ  
961  O OH  . TYR A 121 ? 0.527 0.288 0.419 0.036  0.086  -0.042 451 TYR EEE OH  
962  N N   . LEU A 122 ? 0.667 0.294 0.355 -0.012 0.132  -0.024 452 LEU EEE N   
963  C CA  . LEU A 122 ? 0.706 0.299 0.350 -0.020 0.132  -0.017 452 LEU EEE CA  
964  C C   . LEU A 122 ? 0.681 0.273 0.333 -0.024 0.116  -0.009 452 LEU EEE C   
965  O O   . LEU A 122 ? 0.646 0.266 0.336 -0.024 0.113  -0.008 452 LEU EEE O   
966  C CB  . LEU A 122 ? 0.743 0.334 0.374 -0.031 0.158  -0.019 452 LEU EEE CB  
967  C CG  . LEU A 122 ? 0.764 0.365 0.396 -0.027 0.179  -0.030 452 LEU EEE CG  
968  C CD1 . LEU A 122 ? 0.804 0.402 0.421 -0.041 0.206  -0.030 452 LEU EEE CD1 
969  C CD2 . LEU A 122 ? 0.796 0.369 0.393 -0.018 0.173  -0.033 452 LEU EEE CD2 
970  N N   . TYR A 123 ? 0.682 0.222 0.359 0.012  0.075  0.012  453 TYR EEE N   
971  C CA  . TYR A 123 ? 0.643 0.198 0.335 0.001  0.064  0.015  453 TYR EEE CA  
972  C C   . TYR A 123 ? 0.662 0.208 0.336 -0.005 0.067  0.016  453 TYR EEE C   
973  O O   . TYR A 123 ? 0.671 0.197 0.318 -0.003 0.075  0.013  453 TYR EEE O   
974  C CB  . TYR A 123 ? 0.655 0.202 0.342 -0.006 0.048  0.014  453 TYR EEE CB  
975  C CG  . TYR A 123 ? 0.694 0.215 0.347 -0.013 0.043  0.011  453 TYR EEE CG  
976  C CD1 . TYR A 123 ? 0.734 0.226 0.361 -0.011 0.048  0.006  453 TYR EEE CD1 
977  C CD2 . TYR A 123 ? 0.698 0.220 0.342 -0.020 0.035  0.013  453 TYR EEE CD2 
978  C CE1 . TYR A 123 ? 0.782 0.250 0.375 -0.021 0.043  0.001  453 TYR EEE CE1 
979  C CE2 . TYR A 123 ? 0.740 0.244 0.352 -0.026 0.029  0.010  453 TYR EEE CE2 
980  C CZ  . TYR A 123 ? 0.790 0.268 0.377 -0.029 0.033  0.003  453 TYR EEE CZ  
981  O OH  . TYR A 123 ? 0.851 0.310 0.405 -0.039 0.026  -0.001 453 TYR EEE OH  
982  N N   . ARG A 124 ? 0.640 0.197 0.324 -0.012 0.063  0.020  454 ARG EEE N   
983  C CA  . ARG A 124 ? 0.659 0.202 0.322 -0.016 0.064  0.023  454 ARG EEE CA  
984  C C   . ARG A 124 ? 0.667 0.197 0.312 -0.018 0.049  0.024  454 ARG EEE C   
985  O O   . ARG A 124 ? 0.641 0.182 0.299 -0.018 0.038  0.025  454 ARG EEE O   
986  C CB  . ARG A 124 ? 0.651 0.204 0.329 -0.022 0.067  0.027  454 ARG EEE CB  
987  C CG  . ARG A 124 ? 0.675 0.207 0.327 -0.027 0.072  0.032  454 ARG EEE CG  
988  C CD  . ARG A 124 ? 0.676 0.210 0.335 -0.036 0.078  0.035  454 ARG EEE CD  
989  N NE  . ARG A 124 ? 0.662 0.223 0.346 -0.041 0.091  0.032  454 ARG EEE NE  
990  C CZ  . ARG A 124 ? 0.689 0.257 0.368 -0.046 0.107  0.032  454 ARG EEE CZ  
991  N NH1 . ARG A 124 ? 0.729 0.271 0.376 -0.049 0.114  0.035  454 ARG EEE NH1 
992  N NH2 . ARG A 124 ? 0.672 0.275 0.379 -0.049 0.115  0.029  454 ARG EEE NH2 
993  N N   . LEU A 125 ? 0.695 0.205 0.308 -0.018 0.050  0.023  455 LEU EEE N   
994  C CA  . LEU A 125 ? 0.703 0.206 0.295 -0.020 0.035  0.023  455 LEU EEE CA  
995  C C   . LEU A 125 ? 0.716 0.212 0.292 -0.018 0.032  0.031  455 LEU EEE C   
996  O O   . LEU A 125 ? 0.726 0.230 0.298 -0.016 0.018  0.033  455 LEU EEE O   
997  C CB  . LEU A 125 ? 0.725 0.208 0.286 -0.023 0.037  0.017  455 LEU EEE CB  
998  C CG  . LEU A 125 ? 0.746 0.226 0.282 -0.029 0.022  0.016  455 LEU EEE CG  
999  C CD1 . LEU A 125 ? 0.718 0.221 0.274 -0.034 0.006  0.016  455 LEU EEE CD1 
1000 C CD2 . LEU A 125 ? 0.780 0.235 0.281 -0.035 0.026  0.009  455 LEU EEE CD2 
1001 N N   . PHE A 126 ? 0.735 0.220 0.304 -0.018 0.046  0.034  456 PHE EEE N   
1002 C CA  . PHE A 126 ? 0.781 0.247 0.325 -0.016 0.046  0.042  456 PHE EEE CA  
1003 C C   . PHE A 126 ? 0.783 0.247 0.341 -0.019 0.056  0.046  456 PHE EEE C   
1004 O O   . PHE A 126 ? 0.791 0.264 0.366 -0.026 0.070  0.043  456 PHE EEE O   
1005 C CB  . PHE A 126 ? 0.819 0.262 0.327 -0.018 0.056  0.043  456 PHE EEE CB  
1006 C CG  . PHE A 126 ? 0.830 0.271 0.317 -0.018 0.048  0.038  456 PHE EEE CG  
1007 C CD1 . PHE A 126 ? 0.850 0.290 0.315 -0.015 0.031  0.041  456 PHE EEE CD1 
1008 C CD2 . PHE A 126 ? 0.827 0.265 0.312 -0.021 0.057  0.030  456 PHE EEE CD2 
1009 C CE1 . PHE A 126 ? 0.874 0.313 0.318 -0.019 0.023  0.035  456 PHE EEE CE1 
1010 C CE2 . PHE A 126 ? 0.849 0.276 0.308 -0.024 0.051  0.023  456 PHE EEE CE2 
1011 C CZ  . PHE A 126 ? 0.864 0.292 0.302 -0.025 0.033  0.026  456 PHE EEE CZ  
1012 N N   . ARG A 127 ? 0.808 0.260 0.356 -0.014 0.049  0.052  457 ARG EEE N   
1013 C CA  . ARG A 127 ? 0.825 0.263 0.374 -0.019 0.059  0.056  457 ARG EEE CA  
1014 C C   . ARG A 127 ? 0.860 0.266 0.376 -0.009 0.053  0.065  457 ARG EEE C   
1015 O O   . ARG A 127 ? 0.856 0.270 0.366 0.005  0.037  0.068  457 ARG EEE O   
1016 C CB  . ARG A 127 ? 0.795 0.257 0.383 -0.022 0.056  0.051  457 ARG EEE CB  
1017 C CG  . ARG A 127 ? 0.795 0.252 0.390 -0.036 0.070  0.051  457 ARG EEE CG  
1018 C CD  . ARG A 127 ? 0.758 0.240 0.388 -0.039 0.067  0.046  457 ARG EEE CD  
1019 N NE  . ARG A 127 ? 0.765 0.245 0.399 -0.056 0.080  0.044  457 ARG EEE NE  
1020 C CZ  . ARG A 127 ? 0.792 0.249 0.414 -0.063 0.082  0.046  457 ARG EEE CZ  
1021 N NH1 . ARG A 127 ? 0.789 0.223 0.396 -0.049 0.072  0.048  457 ARG EEE NH1 
1022 N NH2 . ARG A 127 ? 0.797 0.256 0.422 -0.083 0.095  0.043  457 ARG EEE NH2 
1023 N N   . LYS A 128 ? 0.906 0.280 0.399 -0.016 0.065  0.070  458 LYS EEE N   
1024 C CA  . LYS A 128 ? 0.968 0.301 0.420 -0.004 0.062  0.080  458 LYS EEE CA  
1025 C C   . LYS A 128 ? 0.945 0.276 0.408 0.008  0.053  0.081  458 LYS EEE C   
1026 O O   . LYS A 128 ? 0.976 0.283 0.410 0.027  0.046  0.089  458 LYS EEE O   
1027 C CB  . LYS A 128 ? 1.036 0.327 0.454 -0.019 0.081  0.086  458 LYS EEE CB  
1028 C CG  . LYS A 128 ? 1.090 0.381 0.491 -0.027 0.090  0.086  458 LYS EEE CG  
1029 C CD  . LYS A 128 ? 1.164 0.418 0.533 -0.045 0.110  0.091  458 LYS EEE CD  
1030 C CE  . LYS A 128 ? 1.168 0.446 0.569 -0.069 0.126  0.084  458 LYS EEE CE  
1031 N NZ  . LYS A 128 ? 1.237 0.478 0.606 -0.090 0.144  0.089  458 LYS EEE NZ  
1032 N N   . SER A 129 ? 0.881 0.237 0.381 -0.001 0.054  0.073  459 SER EEE N   
1033 C CA  . SER A 129 ? 0.868 0.223 0.378 0.008  0.048  0.072  459 SER EEE CA  
1034 C C   . SER A 129 ? 0.803 0.204 0.361 0.002  0.043  0.062  459 SER EEE C   
1035 O O   . SER A 129 ? 0.775 0.201 0.355 -0.011 0.048  0.057  459 SER EEE O   
1036 C CB  . SER A 129 ? 0.914 0.222 0.398 -0.002 0.061  0.074  459 SER EEE CB  
1037 O OG  . SER A 129 ? 0.899 0.220 0.403 -0.029 0.074  0.067  459 SER EEE OG  
1038 N N   . ASN A 130 ? 0.776 0.186 0.347 0.013  0.035  0.060  460 ASN EEE N   
1039 C CA  . ASN A 130 ? 0.735 0.187 0.348 0.009  0.030  0.053  460 ASN EEE CA  
1040 C C   . ASN A 130 ? 0.718 0.167 0.344 -0.010 0.041  0.047  460 ASN EEE C   
1041 O O   . ASN A 130 ? 0.744 0.154 0.343 -0.017 0.050  0.049  460 ASN EEE O   
1042 C CB  . ASN A 130 ? 0.731 0.197 0.352 0.027  0.018  0.053  460 ASN EEE CB  
1043 C CG  . ASN A 130 ? 0.744 0.230 0.361 0.043  0.005  0.057  460 ASN EEE CG  
1044 O OD1 . ASN A 130 ? 0.763 0.250 0.371 0.039  0.004  0.059  460 ASN EEE OD1 
1045 N ND2 . ASN A 130 ? 0.760 0.266 0.385 0.060  -0.005 0.058  460 ASN EEE ND2 
1046 N N   . LEU A 131 ? 0.671 0.158 0.332 -0.019 0.039  0.041  461 LEU EEE N   
1047 C CA  . LEU A 131 ? 0.666 0.163 0.345 -0.036 0.047  0.035  461 LEU EEE CA  
1048 C C   . LEU A 131 ? 0.670 0.156 0.346 -0.032 0.043  0.033  461 LEU EEE C   
1049 O O   . LEU A 131 ? 0.662 0.156 0.341 -0.015 0.033  0.034  461 LEU EEE O   
1050 C CB  . LEU A 131 ? 0.621 0.162 0.336 -0.040 0.044  0.031  461 LEU EEE CB  
1051 C CG  . LEU A 131 ? 0.622 0.175 0.341 -0.045 0.051  0.032  461 LEU EEE CG  
1052 C CD1 . LEU A 131 ? 0.578 0.170 0.330 -0.044 0.048  0.028  461 LEU EEE CD1 
1053 C CD2 . LEU A 131 ? 0.648 0.191 0.357 -0.062 0.066  0.032  461 LEU EEE CD2 
1054 N N   . LYS A 132 ? 0.694 0.162 0.361 -0.049 0.052  0.029  462 LYS EEE N   
1055 C CA  . LYS A 132 ? 0.704 0.166 0.372 -0.050 0.050  0.024  462 LYS EEE CA  
1056 C C   . LYS A 132 ? 0.653 0.167 0.363 -0.054 0.044  0.018  462 LYS EEE C   
1057 O O   . LYS A 132 ? 0.618 0.165 0.351 -0.059 0.044  0.019  462 LYS EEE O   
1058 C CB  . LYS A 132 ? 0.777 0.202 0.419 -0.072 0.062  0.020  462 LYS EEE CB  
1059 C CG  . LYS A 132 ? 0.871 0.236 0.465 -0.069 0.070  0.027  462 LYS EEE CG  
1060 C CD  . LYS A 132 ? 0.968 0.291 0.532 -0.095 0.083  0.023  462 LYS EEE CD  
1061 C CE  . LYS A 132 ? 1.112 0.360 0.619 -0.084 0.088  0.027  462 LYS EEE CE  
1062 N NZ  . LYS A 132 ? 1.242 0.450 0.714 -0.096 0.100  0.035  462 LYS EEE NZ  
1063 N N   . PRO A 133 ? 0.637 0.157 0.353 -0.050 0.039  0.014  463 PRO EEE N   
1064 C CA  . PRO A 133 ? 0.597 0.163 0.348 -0.053 0.032  0.010  463 PRO EEE CA  
1065 C C   . PRO A 133 ? 0.590 0.181 0.358 -0.074 0.038  0.007  463 PRO EEE C   
1066 O O   . PRO A 133 ? 0.590 0.163 0.343 -0.092 0.046  0.003  463 PRO EEE O   
1067 C CB  . PRO A 133 ? 0.605 0.164 0.351 -0.047 0.029  0.005  463 PRO EEE CB  
1068 C CG  . PRO A 133 ? 0.643 0.161 0.357 -0.029 0.030  0.009  463 PRO EEE CG  
1069 C CD  . PRO A 133 ? 0.671 0.155 0.360 -0.039 0.039  0.013  463 PRO EEE CD  
1070 N N   . PHE A 134 ? 0.549 0.179 0.345 -0.072 0.034  0.008  464 PHE EEE N   
1071 C CA  . PHE A 134 ? 0.550 0.216 0.368 -0.085 0.038  0.007  464 PHE EEE CA  
1072 C C   . PHE A 134 ? 0.571 0.229 0.379 -0.097 0.049  0.008  464 PHE EEE C   
1073 O O   . PHE A 134 ? 0.586 0.275 0.410 -0.112 0.054  0.006  464 PHE EEE O   
1074 C CB  . PHE A 134 ? 0.551 0.235 0.378 -0.099 0.036  0.000  464 PHE EEE CB  
1075 C CG  . PHE A 134 ? 0.542 0.240 0.380 -0.087 0.026  -0.001 464 PHE EEE CG  
1076 C CD1 . PHE A 134 ? 0.523 0.247 0.381 -0.074 0.020  0.004  464 PHE EEE CD1 
1077 C CD2 . PHE A 134 ? 0.567 0.248 0.391 -0.091 0.024  -0.006 464 PHE EEE CD2 
1078 C CE1 . PHE A 134 ? 0.513 0.248 0.378 -0.066 0.012  0.003  464 PHE EEE CE1 
1079 C CE2 . PHE A 134 ? 0.550 0.245 0.383 -0.081 0.016  -0.007 464 PHE EEE CE2 
1080 C CZ  . PHE A 134 ? 0.527 0.251 0.381 -0.070 0.010  -0.002 464 PHE EEE CZ  
1081 N N   . GLU A 135 ? 0.606 0.228 0.390 -0.091 0.053  0.012  465 GLU EEE N   
1082 C CA  . GLU A 135 ? 0.623 0.236 0.395 -0.102 0.065  0.014  465 GLU EEE CA  
1083 C C   . GLU A 135 ? 0.600 0.245 0.393 -0.092 0.066  0.017  465 GLU EEE C   
1084 O O   . GLU A 135 ? 0.565 0.216 0.365 -0.074 0.057  0.019  465 GLU EEE O   
1085 C CB  . GLU A 135 ? 0.677 0.237 0.411 -0.098 0.068  0.019  465 GLU EEE CB  
1086 C CG  . GLU A 135 ? 0.724 0.267 0.437 -0.113 0.082  0.021  465 GLU EEE CG  
1087 C CD  . GLU A 135 ? 0.778 0.262 0.447 -0.108 0.085  0.027  465 GLU EEE CD  
1088 O OE1 . GLU A 135 ? 0.769 0.230 0.425 -0.089 0.076  0.029  465 GLU EEE OE1 
1089 O OE2 . GLU A 135 ? 0.849 0.313 0.497 -0.121 0.097  0.030  465 GLU EEE OE2 
1090 N N   . ARG A 136 ? 0.594 0.259 0.393 -0.103 0.077  0.017  466 ARG EEE N   
1091 C CA  . ARG A 136 ? 0.589 0.277 0.400 -0.091 0.081  0.019  466 ARG EEE CA  
1092 C C   . ARG A 136 ? 0.612 0.280 0.400 -0.099 0.094  0.022  466 ARG EEE C   
1093 O O   . ARG A 136 ? 0.649 0.309 0.426 -0.120 0.103  0.021  466 ARG EEE O   
1094 C CB  . ARG A 136 ? 0.567 0.311 0.412 -0.092 0.083  0.017  466 ARG EEE CB  
1095 C CG  . ARG A 136 ? 0.573 0.336 0.427 -0.075 0.087  0.019  466 ARG EEE CG  
1096 C CD  . ARG A 136 ? 0.575 0.395 0.460 -0.073 0.092  0.018  466 ARG EEE CD  
1097 N NE  . ARG A 136 ? 0.552 0.397 0.458 -0.069 0.080  0.017  466 ARG EEE NE  
1098 C CZ  . ARG A 136 ? 0.568 0.440 0.487 -0.087 0.078  0.014  466 ARG EEE CZ  
1099 N NH1 . ARG A 136 ? 0.584 0.464 0.500 -0.112 0.086  0.011  466 ARG EEE NH1 
1100 N NH2 . ARG A 136 ? 0.533 0.425 0.468 -0.080 0.066  0.013  466 ARG EEE NH2 
1101 N N   . ASP A 137 ? 0.610 0.265 0.387 -0.084 0.094  0.025  467 ASP EEE N   
1102 C CA  . ASP A 137 ? 0.645 0.280 0.397 -0.088 0.107  0.027  467 ASP EEE CA  
1103 C C   . ASP A 137 ? 0.638 0.301 0.403 -0.076 0.113  0.026  467 ASP EEE C   
1104 O O   . ASP A 137 ? 0.625 0.282 0.391 -0.059 0.104  0.026  467 ASP EEE O   
1105 C CB  . ASP A 137 ? 0.673 0.259 0.390 -0.080 0.100  0.031  467 ASP EEE CB  
1106 C CG  . ASP A 137 ? 0.703 0.264 0.390 -0.085 0.112  0.035  467 ASP EEE CG  
1107 O OD1 . ASP A 137 ? 0.709 0.290 0.401 -0.094 0.126  0.034  467 ASP EEE OD1 
1108 O OD2 . ASP A 137 ? 0.756 0.279 0.412 -0.078 0.106  0.040  467 ASP EEE OD2 
1109 N N   . ILE A 138 ? 0.646 0.341 0.423 -0.085 0.128  0.025  468 ILE EEE N   
1110 C CA  . ILE A 138 ? 0.648 0.370 0.435 -0.070 0.136  0.024  468 ILE EEE CA  
1111 C C   . ILE A 138 ? 0.684 0.392 0.446 -0.076 0.152  0.026  468 ILE EEE C   
1112 O O   . ILE A 138 ? 0.693 0.430 0.464 -0.068 0.165  0.025  468 ILE EEE O   
1113 C CB  . ILE A 138 ? 0.633 0.416 0.459 -0.069 0.140  0.022  468 ILE EEE CB  
1114 C CG1 . ILE A 138 ? 0.654 0.471 0.491 -0.094 0.152  0.021  468 ILE EEE CG1 
1115 C CG2 . ILE A 138 ? 0.603 0.395 0.449 -0.062 0.124  0.021  468 ILE EEE CG2 
1116 C CD1 . ILE A 138 ? 0.642 0.531 0.518 -0.091 0.158  0.019  468 ILE EEE CD1 
1117 N N   . SER A 139 ? 0.700 0.362 0.429 -0.088 0.152  0.029  469 SER EEE N   
1118 C CA  . SER A 139 ? 0.745 0.387 0.444 -0.095 0.167  0.032  469 SER EEE CA  
1119 C C   . SER A 139 ? 0.756 0.378 0.434 -0.075 0.166  0.032  469 SER EEE C   
1120 O O   . SER A 139 ? 0.745 0.352 0.424 -0.060 0.150  0.030  469 SER EEE O   
1121 C CB  . SER A 139 ? 0.760 0.355 0.424 -0.112 0.167  0.037  469 SER EEE CB  
1122 O OG  . SER A 139 ? 0.763 0.317 0.406 -0.099 0.150  0.040  469 SER EEE OG  
1123 N N   . THR A 140 ? 0.787 0.410 0.448 -0.075 0.182  0.032  470 THR EEE N   
1124 C CA  . THR A 140 ? 0.806 0.411 0.445 -0.057 0.184  0.029  470 THR EEE CA  
1125 C C   . THR A 140 ? 0.866 0.432 0.461 -0.066 0.192  0.034  470 THR EEE C   
1126 O O   . THR A 140 ? 0.881 0.444 0.457 -0.058 0.204  0.031  470 THR EEE O   
1127 C CB  . THR A 140 ? 0.802 0.448 0.463 -0.044 0.198  0.025  470 THR EEE CB  
1128 O OG1 . THR A 140 ? 0.803 0.486 0.477 -0.059 0.216  0.026  470 THR EEE OG1 
1129 C CG2 . THR A 140 ? 0.758 0.434 0.456 -0.030 0.188  0.022  470 THR EEE CG2 
1130 N N   . GLU A 141 ? 0.909 0.444 0.483 -0.079 0.186  0.040  471 GLU EEE N   
1131 C CA  . GLU A 141 ? 0.951 0.445 0.478 -0.086 0.193  0.046  471 GLU EEE CA  
1132 C C   . GLU A 141 ? 0.939 0.400 0.437 -0.070 0.178  0.046  471 GLU EEE C   
1133 O O   . GLU A 141 ? 0.888 0.350 0.400 -0.059 0.160  0.044  471 GLU EEE O   
1134 C CB  . GLU A 141 ? 1.017 0.486 0.530 -0.105 0.193  0.053  471 GLU EEE CB  
1135 C CG  . GLU A 141 ? 1.048 0.552 0.586 -0.127 0.209  0.051  471 GLU EEE CG  
1136 C CD  . GLU A 141 ? 1.110 0.589 0.638 -0.147 0.207  0.055  471 GLU EEE CD  
1137 O OE1 . GLU A 141 ? 1.196 0.626 0.680 -0.157 0.212  0.063  471 GLU EEE OE1 
1138 O OE2 . GLU A 141 ? 1.142 0.648 0.705 -0.152 0.201  0.051  471 GLU EEE OE2 
1139 N N   . ILE A 142 ? 0.959 0.398 0.419 -0.068 0.187  0.047  472 ILE EEE N   
1140 C CA  . ILE A 142 ? 0.967 0.379 0.396 -0.055 0.173  0.046  472 ILE EEE CA  
1141 C C   . ILE A 142 ? 0.965 0.347 0.374 -0.055 0.155  0.054  472 ILE EEE C   
1142 O O   . ILE A 142 ? 0.979 0.341 0.368 -0.064 0.161  0.062  472 ILE EEE O   
1143 C CB  . ILE A 142 ? 1.018 0.413 0.407 -0.056 0.189  0.046  472 ILE EEE CB  
1144 C CG1 . ILE A 142 ? 1.020 0.447 0.428 -0.052 0.208  0.038  472 ILE EEE CG1 
1145 C CG2 . ILE A 142 ? 1.046 0.412 0.398 -0.046 0.173  0.045  472 ILE EEE CG2 
1146 C CD1 . ILE A 142 ? 0.999 0.440 0.430 -0.036 0.200  0.028  472 ILE EEE CD1 
1147 N N   . TYR A 143 ? 0.942 0.323 0.354 -0.043 0.134  0.052  473 TYR EEE N   
1148 C CA  . TYR A 143 ? 0.959 0.323 0.358 -0.038 0.115  0.059  473 TYR EEE CA  
1149 C C   . TYR A 143 ? 1.014 0.351 0.365 -0.033 0.109  0.064  473 TYR EEE C   
1150 O O   . TYR A 143 ? 1.038 0.378 0.376 -0.030 0.105  0.058  473 TYR EEE O   
1151 C CB  . TYR A 143 ? 0.905 0.292 0.337 -0.030 0.097  0.054  473 TYR EEE CB  
1152 C CG  . TYR A 143 ? 0.904 0.285 0.331 -0.022 0.078  0.060  473 TYR EEE CG  
1153 C CD1 . TYR A 143 ? 0.902 0.281 0.345 -0.022 0.077  0.065  473 TYR EEE CD1 
1154 C CD2 . TYR A 143 ? 0.924 0.303 0.331 -0.013 0.061  0.061  473 TYR EEE CD2 
1155 C CE1 . TYR A 143 ? 0.905 0.278 0.342 -0.010 0.061  0.070  473 TYR EEE CE1 
1156 C CE2 . TYR A 143 ? 0.925 0.307 0.330 -0.003 0.044  0.067  473 TYR EEE CE2 
1157 C CZ  . TYR A 143 ? 0.911 0.290 0.332 0.001  0.044  0.072  473 TYR EEE CZ  
1158 O OH  . TYR A 143 ? 0.911 0.294 0.330 0.015  0.028  0.078  473 TYR EEE OH  
1159 N N   . GLN A 144 ? 1.052 0.360 0.373 -0.031 0.107  0.076  474 GLN EEE N   
1160 C CA  . GLN A 144 ? 1.106 0.388 0.378 -0.023 0.098  0.083  474 GLN EEE CA  
1161 C C   . GLN A 144 ? 1.085 0.382 0.364 -0.009 0.072  0.084  474 GLN EEE C   
1162 O O   . GLN A 144 ? 1.070 0.364 0.358 -0.000 0.064  0.090  474 GLN EEE O   
1163 C CB  . GLN A 144 ? 1.165 0.407 0.399 -0.025 0.108  0.097  474 GLN EEE CB  
1164 C CG  . GLN A 144 ? 1.226 0.440 0.405 -0.015 0.100  0.106  474 GLN EEE CG  
1165 C CD  . GLN A 144 ? 1.299 0.465 0.430 -0.017 0.111  0.120  474 GLN EEE CD  
1166 O OE1 . GLN A 144 ? 1.307 0.458 0.439 -0.034 0.132  0.121  474 GLN EEE OE1 
1167 N NE2 . GLN A 144 ? 1.346 0.487 0.433 -0.002 0.098  0.131  474 GLN EEE NE2 
1168 N N   . ALA A 145 ? 1.078 0.389 0.349 -0.006 0.060  0.078  475 ALA EEE N   
1169 C CA  . ALA A 145 ? 1.073 0.408 0.352 0.003  0.035  0.077  475 ALA EEE CA  
1170 C C   . ALA A 145 ? 1.130 0.452 0.361 0.013  0.022  0.086  475 ALA EEE C   
1171 O O   . ALA A 145 ? 1.127 0.474 0.364 0.024  0.001  0.088  475 ALA EEE O   
1172 C CB  . ALA A 145 ? 1.038 0.398 0.338 -0.005 0.030  0.063  475 ALA EEE CB  
1173 N N   . GLY A 146 ? 1.182 0.472 0.370 0.010  0.035  0.091  476 GLY EEE N   
1174 C CA  . GLY A 146 ? 1.238 0.512 0.373 0.019  0.025  0.101  476 GLY EEE CA  
1175 C C   . GLY A 146 ? 1.289 0.519 0.389 0.026  0.036  0.116  476 GLY EEE C   
1176 O O   . GLY A 146 ? 1.268 0.486 0.388 0.025  0.047  0.120  476 GLY EEE O   
1177 N N   . SER A 147 ? 1.357 0.563 0.402 0.032  0.034  0.126  477 SER EEE N   
1178 C CA  . SER A 147 ? 1.427 0.584 0.426 0.040  0.044  0.143  477 SER EEE CA  
1179 C C   . SER A 147 ? 1.464 0.589 0.444 0.020  0.073  0.142  477 SER EEE C   
1180 O O   . SER A 147 ? 1.501 0.582 0.451 0.019  0.087  0.154  477 SER EEE O   
1181 C CB  . SER A 147 ? 1.474 0.621 0.421 0.058  0.026  0.155  477 SER EEE CB  
1182 O OG  . SER A 147 ? 1.485 0.641 0.407 0.049  0.025  0.148  477 SER EEE OG  
1183 N N   . THR A 148 ? 1.438 0.582 0.433 0.004  0.084  0.128  478 THR EEE N   
1184 C CA  . THR A 148 ? 1.464 0.587 0.438 -0.013 0.112  0.126  478 THR EEE CA  
1185 C C   . THR A 148 ? 1.404 0.540 0.425 -0.028 0.132  0.119  478 THR EEE C   
1186 O O   . THR A 148 ? 1.343 0.515 0.415 -0.028 0.126  0.108  478 THR EEE O   
1187 C CB  . THR A 148 ? 1.472 0.607 0.428 -0.018 0.113  0.115  478 THR EEE CB  
1188 O OG1 . THR A 148 ? 1.444 0.616 0.451 -0.021 0.109  0.098  478 THR EEE OG1 
1189 C CG2 . THR A 148 ? 1.514 0.644 0.425 -0.006 0.091  0.120  478 THR EEE CG2 
1190 N N   . PRO A 149 ? 1.412 0.524 0.416 -0.043 0.157  0.125  479 PRO EEE N   
1191 C CA  . PRO A 149 ? 1.374 0.507 0.424 -0.060 0.177  0.118  479 PRO EEE CA  
1192 C C   . PRO A 149 ? 1.332 0.506 0.416 -0.064 0.187  0.102  479 PRO EEE C   
1193 O O   . PRO A 149 ? 1.361 0.532 0.418 -0.062 0.189  0.098  479 PRO EEE O   
1194 C CB  . PRO A 149 ? 1.432 0.530 0.444 -0.078 0.202  0.128  479 PRO EEE CB  
1195 C CG  . PRO A 149 ? 1.494 0.542 0.439 -0.067 0.193  0.143  479 PRO EEE CG  
1196 C CD  . PRO A 149 ? 1.480 0.545 0.420 -0.047 0.168  0.139  479 PRO EEE CD  
1197 N N   . CYS A 150 ? 1.282 0.490 0.421 -0.070 0.192  0.093  480 CYS EEE N   
1198 C CA  . CYS A 150 ? 1.254 0.502 0.429 -0.069 0.200  0.079  480 CYS EEE CA  
1199 C C   . CYS A 150 ? 1.261 0.525 0.442 -0.083 0.230  0.076  480 CYS EEE C   
1200 O O   . CYS A 150 ? 1.253 0.536 0.438 -0.079 0.241  0.066  480 CYS EEE O   
1201 C CB  . CYS A 150 ? 1.193 0.472 0.424 -0.063 0.186  0.072  480 CYS EEE CB  
1202 S SG  . CYS A 150 ? 1.185 0.455 0.412 -0.047 0.152  0.074  480 CYS EEE SG  
1203 N N   . ASN A 151 ? 1.282 0.538 0.461 -0.101 0.244  0.085  481 ASN EEE N   
1204 C CA  . ASN A 151 ? 1.291 0.570 0.477 -0.120 0.274  0.083  481 ASN EEE CA  
1205 C C   . ASN A 151 ? 1.233 0.571 0.479 -0.116 0.280  0.071  481 ASN EEE C   
1206 O O   . ASN A 151 ? 1.231 0.599 0.483 -0.119 0.303  0.065  481 ASN EEE O   
1207 C CB  . ASN A 151 ? 1.351 0.612 0.487 -0.122 0.291  0.085  481 ASN EEE CB  
1208 C CG  . ASN A 151 ? 1.415 0.619 0.488 -0.130 0.291  0.100  481 ASN EEE CG  
1209 O OD1 . ASN A 151 ? 1.422 0.595 0.485 -0.133 0.280  0.110  481 ASN EEE OD1 
1210 N ND2 . ASN A 151 ? 1.482 0.668 0.509 -0.130 0.303  0.102  481 ASN EEE ND2 
1211 N N   . GLY A 152 ? 1.186 0.541 0.473 -0.107 0.262  0.067  482 GLY EEE N   
1212 C CA  . GLY A 152 ? 1.138 0.547 0.481 -0.100 0.265  0.056  482 GLY EEE CA  
1213 C C   . GLY A 152 ? 1.139 0.558 0.481 -0.080 0.266  0.046  482 GLY EEE C   
1214 O O   . GLY A 152 ? 1.104 0.566 0.483 -0.073 0.277  0.039  482 GLY EEE O   
1215 N N   . VAL A 153 ? 1.166 0.548 0.466 -0.070 0.256  0.046  483 VAL EEE N   
1216 C CA  . VAL A 153 ? 1.174 0.554 0.462 -0.053 0.258  0.035  483 VAL EEE CA  
1217 C C   . VAL A 153 ? 1.166 0.521 0.443 -0.043 0.230  0.032  483 VAL EEE C   
1218 O O   . VAL A 153 ? 1.159 0.488 0.412 -0.048 0.214  0.040  483 VAL EEE O   
1219 C CB  . VAL A 153 ? 1.242 0.606 0.483 -0.054 0.277  0.034  483 VAL EEE CB  
1220 C CG1 . VAL A 153 ? 1.254 0.652 0.511 -0.065 0.306  0.036  483 VAL EEE CG1 
1221 C CG2 . VAL A 153 ? 1.283 0.601 0.470 -0.061 0.268  0.043  483 VAL EEE CG2 
1222 N N   . LYS A 154 ? 1.181 0.544 0.473 -0.030 0.225  0.021  484 LYS EEE N   
1223 C CA  . LYS A 154 ? 1.198 0.539 0.477 -0.024 0.202  0.016  484 LYS EEE CA  
1224 C C   . LYS A 154 ? 1.234 0.539 0.454 -0.026 0.198  0.016  484 LYS EEE C   
1225 O O   . LYS A 154 ? 1.278 0.575 0.469 -0.027 0.218  0.015  484 LYS EEE O   
1226 C CB  . LYS A 154 ? 1.196 0.544 0.491 -0.011 0.203  0.004  484 LYS EEE CB  
1227 C CG  . LYS A 154 ? 1.188 0.573 0.539 -0.005 0.207  0.004  484 LYS EEE CG  
1228 C CD  . LYS A 154 ? 1.189 0.571 0.550 0.009  0.203  -0.005 484 LYS EEE CD  
1229 C CE  . LYS A 154 ? 1.251 0.615 0.581 0.022  0.222  -0.015 484 LYS EEE CE  
1230 N NZ  . LYS A 154 ? 1.272 0.627 0.610 0.038  0.219  -0.023 484 LYS EEE NZ  
1231 N N   . GLY A 155 ? 1.236 0.525 0.439 -0.027 0.174  0.015  485 GLY EEE N   
1232 C CA  . GLY A 155 ? 1.284 0.543 0.431 -0.030 0.166  0.014  485 GLY EEE CA  
1233 C C   . GLY A 155 ? 1.273 0.532 0.417 -0.033 0.136  0.018  485 GLY EEE C   
1234 O O   . GLY A 155 ? 1.252 0.531 0.437 -0.032 0.123  0.018  485 GLY EEE O   
1235 N N   . PHE A 156 ? 1.314 0.554 0.409 -0.036 0.125  0.020  486 PHE EEE N   
1236 C CA  . PHE A 156 ? 1.316 0.562 0.402 -0.037 0.096  0.025  486 PHE EEE CA  
1237 C C   . PHE A 156 ? 1.272 0.535 0.393 -0.032 0.087  0.038  486 PHE EEE C   
1238 O O   . PHE A 156 ? 1.274 0.524 0.384 -0.030 0.099  0.050  486 PHE EEE O   
1239 C CB  . PHE A 156 ? 1.388 0.613 0.414 -0.039 0.089  0.028  486 PHE EEE CB  
1240 C CG  . PHE A 156 ? 1.439 0.643 0.425 -0.045 0.100  0.013  486 PHE EEE CG  
1241 C CD1 . PHE A 156 ? 1.443 0.646 0.430 -0.051 0.091  -0.002 486 PHE EEE CD1 
1242 C CD2 . PHE A 156 ? 1.504 0.683 0.447 -0.045 0.119  0.015  486 PHE EEE CD2 
1243 C CE1 . PHE A 156 ? 1.487 0.661 0.430 -0.056 0.102  -0.016 486 PHE EEE CE1 
1244 C CE2 . PHE A 156 ? 1.555 0.711 0.457 -0.049 0.130  0.001  486 PHE EEE CE2 
1245 C CZ  . PHE A 156 ? 1.549 0.700 0.450 -0.054 0.121  -0.015 486 PHE EEE CZ  
1246 N N   . ASN A 157 ? 1.220 0.506 0.376 -0.030 0.069  0.037  487 ASN EEE N   
1247 C CA  . ASN A 157 ? 1.182 0.485 0.369 -0.023 0.058  0.048  487 ASN EEE CA  
1248 C C   . ASN A 157 ? 1.152 0.453 0.368 -0.023 0.078  0.052  487 ASN EEE C   
1249 O O   . ASN A 157 ? 1.135 0.436 0.363 -0.019 0.075  0.063  487 ASN EEE O   
1250 C CB  . ASN A 157 ? 1.218 0.513 0.370 -0.016 0.043  0.060  487 ASN EEE CB  
1251 C CG  . ASN A 157 ? 1.241 0.546 0.364 -0.018 0.023  0.055  487 ASN EEE CG  
1252 O OD1 . ASN A 157 ? 1.204 0.537 0.350 -0.022 0.006  0.048  487 ASN EEE OD1 
1253 N ND2 . ASN A 157 ? 1.282 0.566 0.354 -0.019 0.024  0.058  487 ASN EEE ND2 
1254 N N   . CYS A 158 ? 1.129 0.429 0.355 -0.028 0.099  0.044  488 CYS EEE N   
1255 C CA  . CYS A 158 ? 1.118 0.426 0.373 -0.031 0.120  0.046  488 CYS EEE CA  
1256 C C   . CYS A 158 ? 1.082 0.413 0.377 -0.030 0.125  0.034  488 CYS EEE C   
1257 O O   . CYS A 158 ? 1.104 0.429 0.385 -0.028 0.137  0.025  488 CYS EEE O   
1258 C CB  . CYS A 158 ? 1.167 0.458 0.392 -0.036 0.143  0.049  488 CYS EEE CB  
1259 S SG  . CYS A 158 ? 1.217 0.478 0.400 -0.039 0.143  0.066  488 CYS EEE SG  
1260 N N   . TYR A 159 ? 1.029 0.381 0.366 -0.028 0.115  0.034  489 TYR EEE N   
1261 C CA  . TYR A 159 ? 1.000 0.370 0.370 -0.025 0.113  0.025  489 TYR EEE CA  
1262 C C   . TYR A 159 ? 0.971 0.365 0.382 -0.024 0.127  0.025  489 TYR EEE C   
1263 O O   . TYR A 159 ? 0.964 0.367 0.393 -0.029 0.126  0.033  489 TYR EEE O   
1264 C CB  . TYR A 159 ? 0.968 0.346 0.351 -0.024 0.089  0.024  489 TYR EEE CB  
1265 C CG  . TYR A 159 ? 1.007 0.372 0.353 -0.027 0.073  0.023  489 TYR EEE CG  
1266 C CD1 . TYR A 159 ? 1.038 0.385 0.353 -0.030 0.076  0.013  489 TYR EEE CD1 
1267 C CD2 . TYR A 159 ? 1.004 0.376 0.345 -0.025 0.054  0.031  489 TYR EEE CD2 
1268 C CE1 . TYR A 159 ? 1.067 0.406 0.348 -0.036 0.060  0.011  489 TYR EEE CE1 
1269 C CE2 . TYR A 159 ? 1.035 0.404 0.344 -0.028 0.038  0.030  489 TYR EEE CE2 
1270 C CZ  . TYR A 159 ? 1.062 0.415 0.341 -0.035 0.040  0.019  489 TYR EEE CZ  
1271 O OH  . TYR A 159 ? 1.096 0.449 0.342 -0.041 0.024  0.017  489 TYR EEE OH  
1272 N N   . PHE A 160 ? 0.959 0.364 0.385 -0.018 0.139  0.018  490 PHE EEE N   
1273 C CA  . PHE A 160 ? 0.920 0.357 0.391 -0.015 0.147  0.017  490 PHE EEE CA  
1274 C C   . PHE A 160 ? 0.872 0.319 0.371 -0.017 0.127  0.019  490 PHE EEE C   
1275 O O   . PHE A 160 ? 0.869 0.304 0.358 -0.016 0.112  0.016  490 PHE EEE O   
1276 C CB  . PHE A 160 ? 0.927 0.370 0.403 -0.003 0.160  0.009  490 PHE EEE CB  
1277 C CG  . PHE A 160 ? 0.899 0.383 0.418 0.002  0.172  0.010  490 PHE EEE CG  
1278 C CD1 . PHE A 160 ? 0.917 0.425 0.443 -0.002 0.192  0.012  490 PHE EEE CD1 
1279 C CD2 . PHE A 160 ? 0.868 0.371 0.421 0.009  0.164  0.008  490 PHE EEE CD2 
1280 C CE1 . PHE A 160 ? 0.894 0.448 0.461 0.001  0.202  0.013  490 PHE EEE CE1 
1281 C CE2 . PHE A 160 ? 0.853 0.397 0.444 0.014  0.173  0.010  490 PHE EEE CE2 
1282 C CZ  . PHE A 160 ? 0.858 0.431 0.458 0.009  0.192  0.011  490 PHE EEE CZ  
1283 N N   . PRO A 161 ? 0.846 0.314 0.375 -0.022 0.127  0.025  491 PRO EEE N   
1284 C CA  . PRO A 161 ? 0.816 0.290 0.364 -0.023 0.109  0.027  491 PRO EEE CA  
1285 C C   . PRO A 161 ? 0.777 0.268 0.353 -0.017 0.101  0.022  491 PRO EEE C   
1286 O O   . PRO A 161 ? 0.756 0.248 0.340 -0.018 0.085  0.023  491 PRO EEE O   
1287 C CB  . PRO A 161 ? 0.817 0.304 0.384 -0.032 0.115  0.033  491 PRO EEE CB  
1288 C CG  . PRO A 161 ? 0.825 0.332 0.402 -0.034 0.136  0.030  491 PRO EEE CG  
1289 C CD  . PRO A 161 ? 0.851 0.338 0.394 -0.029 0.144  0.028  491 PRO EEE CD  
1290 N N   . LEU A 162 ? 0.967 0.285 0.326 -0.018 0.131  0.035  492 LEU EEE N   
1291 C CA  . LEU A 162 ? 0.904 0.281 0.331 -0.012 0.127  0.029  492 LEU EEE CA  
1292 C C   . LEU A 162 ? 0.927 0.289 0.329 -0.006 0.116  0.024  492 LEU EEE C   
1293 O O   . LEU A 162 ? 0.999 0.315 0.344 -0.010 0.131  0.022  492 LEU EEE O   
1294 C CB  . LEU A 162 ? 0.867 0.281 0.339 -0.018 0.160  0.023  492 LEU EEE CB  
1295 C CG  . LEU A 162 ? 0.862 0.289 0.358 -0.025 0.175  0.026  492 LEU EEE CG  
1296 C CD1 . LEU A 162 ? 0.827 0.299 0.381 -0.029 0.201  0.018  492 LEU EEE CD1 
1297 C CD2 . LEU A 162 ? 0.825 0.274 0.349 -0.020 0.148  0.031  492 LEU EEE CD2 
1298 N N   . GLN A 163 ? 0.885 0.281 0.327 0.002  0.093  0.022  493 GLN EEE N   
1299 C CA  . GLN A 163 ? 0.912 0.300 0.340 0.007  0.079  0.017  493 GLN EEE CA  
1300 C C   . GLN A 163 ? 0.835 0.277 0.327 0.010  0.081  0.012  493 GLN EEE C   
1301 O O   . GLN A 163 ? 0.774 0.258 0.318 0.011  0.078  0.013  493 GLN EEE O   
1302 C CB  . GLN A 163 ? 0.959 0.322 0.360 0.013  0.042  0.020  493 GLN EEE CB  
1303 C CG  . GLN A 163 ? 1.057 0.360 0.390 0.011  0.036  0.026  493 GLN EEE CG  
1304 C CD  . GLN A 163 ? 1.161 0.403 0.417 0.008  0.043  0.024  493 GLN EEE CD  
1305 O OE1 . GLN A 163 ? 1.187 0.423 0.433 0.011  0.036  0.018  493 GLN EEE OE1 
1306 N NE2 . GLN A 163 ? 1.238 0.429 0.434 0.003  0.055  0.029  493 GLN EEE NE2 
1307 N N   . SER A 164 ? 0.838 0.276 0.323 0.012  0.086  0.006  494 SER EEE N   
1308 C CA  A SER A 164 ? 0.786 0.268 0.325 0.015  0.089  0.001  494 SER EEE CA  
1309 C CA  B SER A 164 ? 0.783 0.265 0.321 0.015  0.089  0.001  494 SER EEE CA  
1310 C C   . SER A 164 ? 0.758 0.255 0.315 0.020  0.058  0.001  494 SER EEE C   
1311 O O   . SER A 164 ? 0.788 0.254 0.308 0.022  0.038  0.001  494 SER EEE O   
1312 C CB  A SER A 164 ? 0.819 0.289 0.343 0.015  0.110  -0.006 494 SER EEE CB  
1313 C CB  B SER A 164 ? 0.812 0.280 0.334 0.015  0.110  -0.006 494 SER EEE CB  
1314 O OG  A SER A 164 ? 0.882 0.304 0.347 0.016  0.101  -0.008 494 SER EEE OG  
1315 O OG  B SER A 164 ? 0.766 0.270 0.333 0.019  0.107  -0.011 494 SER EEE OG  
1316 N N   . TYR A 165 ? 0.706 0.248 0.319 0.022  0.054  0.000  495 TYR EEE N   
1317 C CA  . TYR A 165 ? 0.677 0.237 0.314 0.025  0.031  -0.001 495 TYR EEE CA  
1318 C C   . TYR A 165 ? 0.700 0.246 0.321 0.027  0.031  -0.007 495 TYR EEE C   
1319 O O   . TYR A 165 ? 0.711 0.255 0.335 0.028  0.009  -0.009 495 TYR EEE O   
1320 C CB  . TYR A 165 ? 0.615 0.222 0.309 0.025  0.033  -0.000 495 TYR EEE CB  
1321 C CG  . TYR A 165 ? 0.589 0.211 0.302 0.024  0.025  0.004  495 TYR EEE CG  
1322 C CD1 . TYR A 165 ? 0.585 0.208 0.303 0.026  0.002  0.005  495 TYR EEE CD1 
1323 C CD2 . TYR A 165 ? 0.578 0.218 0.311 0.022  0.041  0.007  495 TYR EEE CD2 
1324 C CE1 . TYR A 165 ? 0.564 0.202 0.302 0.026  -0.005 0.008  495 TYR EEE CE1 
1325 C CE2 . TYR A 165 ? 0.552 0.204 0.301 0.022  0.034  0.011  495 TYR EEE CE2 
1326 C CZ  . TYR A 165 ? 0.543 0.194 0.294 0.024  0.011  0.011  495 TYR EEE CZ  
1327 O OH  . TYR A 165 ? 0.519 0.183 0.289 0.024  0.004  0.014  495 TYR EEE OH  
1328 N N   . GLY A 166 ? 0.708 0.244 0.317 0.027  0.054  -0.011 496 GLY EEE N   
1329 C CA  . GLY A 166 ? 0.720 0.242 0.316 0.029  0.056  -0.017 496 GLY EEE CA  
1330 C C   . GLY A 166 ? 0.682 0.232 0.315 0.031  0.042  -0.019 496 GLY EEE C   
1331 O O   . GLY A 166 ? 0.716 0.247 0.331 0.032  0.029  -0.023 496 GLY EEE O   
1332 N N   . PHE A 167 ? 0.624 0.213 0.306 0.031  0.043  -0.017 497 PHE EEE N   
1333 C CA  . PHE A 167 ? 0.609 0.221 0.324 0.031  0.029  -0.017 497 PHE EEE CA  
1334 C C   . PHE A 167 ? 0.617 0.218 0.325 0.034  0.030  -0.022 497 PHE EEE C   
1335 O O   . PHE A 167 ? 0.624 0.224 0.333 0.037  0.048  -0.026 497 PHE EEE O   
1336 C CB  . PHE A 167 ? 0.561 0.210 0.320 0.032  0.036  -0.014 497 PHE EEE CB  
1337 C CG  . PHE A 167 ? 0.540 0.204 0.313 0.029  0.031  -0.008 497 PHE EEE CG  
1338 C CD1 . PHE A 167 ? 0.533 0.200 0.310 0.027  0.013  -0.007 497 PHE EEE CD1 
1339 C CD2 . PHE A 167 ? 0.540 0.215 0.324 0.029  0.046  -0.006 497 PHE EEE CD2 
1340 C CE1 . PHE A 167 ? 0.509 0.190 0.300 0.026  0.009  -0.003 497 PHE EEE CE1 
1341 C CE2 . PHE A 167 ? 0.508 0.195 0.303 0.027  0.042  -0.002 497 PHE EEE CE2 
1342 C CZ  . PHE A 167 ? 0.508 0.198 0.306 0.026  0.024  -0.000 497 PHE EEE CZ  
1343 N N   . GLN A 168 ? 0.642 0.234 0.344 0.032  0.012  -0.024 498 GLN EEE N   
1344 C CA  . GLN A 168 ? 0.665 0.246 0.362 0.033  0.010  -0.029 498 GLN EEE CA  
1345 C C   . GLN A 168 ? 0.630 0.233 0.361 0.030  -0.001 -0.028 498 GLN EEE C   
1346 O O   . GLN A 168 ? 0.601 0.218 0.349 0.026  -0.014 -0.025 498 GLN EEE O   
1347 C CB  . GLN A 168 ? 0.726 0.270 0.381 0.032  -0.001 -0.034 498 GLN EEE CB  
1348 C CG  . GLN A 168 ? 0.787 0.299 0.397 0.035  0.011  -0.036 498 GLN EEE CG  
1349 C CD  . GLN A 168 ? 0.861 0.332 0.424 0.034  -0.004 -0.040 498 GLN EEE CD  
1350 O OE1 . GLN A 168 ? 0.903 0.362 0.459 0.033  -0.013 -0.045 498 GLN EEE OE1 
1351 N NE2 . GLN A 168 ? 0.920 0.366 0.446 0.033  -0.006 -0.038 498 GLN EEE NE2 
1352 N N   . PRO A 169 ? 0.628 0.233 0.370 0.032  0.003  -0.030 499 PRO EEE N   
1353 C CA  . PRO A 169 ? 0.602 0.225 0.373 0.028  -0.005 -0.028 499 PRO EEE CA  
1354 C C   . PRO A 169 ? 0.619 0.237 0.390 0.020  -0.022 -0.029 499 PRO EEE C   
1355 O O   . PRO A 169 ? 0.601 0.239 0.399 0.014  -0.027 -0.027 499 PRO EEE O   
1356 C CB  . PRO A 169 ? 0.622 0.237 0.394 0.032  0.002  -0.030 499 PRO EEE CB  
1357 C CG  . PRO A 169 ? 0.648 0.244 0.396 0.039  0.015  -0.035 499 PRO EEE CG  
1358 C CD  . PRO A 169 ? 0.650 0.239 0.377 0.038  0.017  -0.035 499 PRO EEE CD  
1359 N N   . THR A 170 ? 0.660 0.253 0.404 0.020  -0.032 -0.034 500 THR EEE N   
1360 C CA  . THR A 170 ? 0.673 0.261 0.420 0.013  -0.052 -0.037 500 THR EEE CA  
1361 C C   . THR A 170 ? 0.666 0.260 0.416 0.011  -0.064 -0.036 500 THR EEE C   
1362 O O   . THR A 170 ? 0.681 0.272 0.437 0.007  -0.082 -0.040 500 THR EEE O   
1363 C CB  . THR A 170 ? 0.723 0.278 0.439 0.013  -0.059 -0.044 500 THR EEE CB  
1364 O OG1 . THR A 170 ? 0.750 0.281 0.427 0.019  -0.055 -0.045 500 THR EEE OG1 
1365 C CG2 . THR A 170 ? 0.733 0.282 0.450 0.014  -0.050 -0.045 500 THR EEE CG2 
1366 N N   . TYR A 171 ? 0.654 0.258 0.404 0.015  -0.055 -0.031 501 TYR EEE N   
1367 C CA  . TYR A 171 ? 0.635 0.251 0.397 0.014  -0.066 -0.030 501 TYR EEE CA  
1368 C C   . TYR A 171 ? 0.584 0.227 0.388 0.008  -0.075 -0.031 501 TYR EEE C   
1369 O O   . TYR A 171 ? 0.534 0.194 0.361 0.005  -0.064 -0.029 501 TYR EEE O   
1370 C CB  . TYR A 171 ? 0.641 0.266 0.402 0.018  -0.052 -0.024 501 TYR EEE CB  
1371 C CG  . TYR A 171 ? 0.711 0.308 0.429 0.023  -0.047 -0.023 501 TYR EEE CG  
1372 C CD1 . TYR A 171 ? 0.800 0.361 0.478 0.024  -0.052 -0.028 501 TYR EEE CD1 
1373 C CD2 . TYR A 171 ? 0.740 0.342 0.456 0.025  -0.036 -0.019 501 TYR EEE CD2 
1374 C CE1 . TYR A 171 ? 0.866 0.397 0.500 0.027  -0.044 -0.027 501 TYR EEE CE1 
1375 C CE2 . TYR A 171 ? 0.790 0.363 0.465 0.027  -0.029 -0.018 501 TYR EEE CE2 
1376 C CZ  . TYR A 171 ? 0.856 0.392 0.488 0.028  -0.032 -0.022 501 TYR EEE CZ  
1377 O OH  . TYR A 171 ? 0.982 0.485 0.568 0.030  -0.022 -0.022 501 TYR EEE OH  
1378 N N   . GLY A 172 ? 0.579 0.225 0.395 0.006  -0.093 -0.034 502 GLY EEE N   
1379 C CA  . GLY A 172 ? 0.549 0.224 0.410 0.000  -0.098 -0.036 502 GLY EEE CA  
1380 C C   . GLY A 172 ? 0.515 0.215 0.395 0.001  -0.081 -0.030 502 GLY EEE C   
1381 O O   . GLY A 172 ? 0.504 0.199 0.365 0.007  -0.071 -0.025 502 GLY EEE O   
1382 N N   . VAL A 173 ? 0.500 0.225 0.416 -0.006 -0.075 -0.030 503 VAL EEE N   
1383 C CA  . VAL A 173 ? 0.493 0.238 0.426 -0.006 -0.059 -0.025 503 VAL EEE CA  
1384 C C   . VAL A 173 ? 0.468 0.221 0.402 -0.000 -0.061 -0.023 503 VAL EEE C   
1385 O O   . VAL A 173 ? 0.453 0.210 0.381 0.003  -0.048 -0.017 503 VAL EEE O   
1386 C CB  . VAL A 173 ? 0.495 0.260 0.462 -0.015 -0.054 -0.028 503 VAL EEE CB  
1387 C CG1 . VAL A 173 ? 0.516 0.270 0.476 -0.022 -0.049 -0.028 503 VAL EEE CG1 
1388 C CG2 . VAL A 173 ? 0.506 0.284 0.504 -0.020 -0.067 -0.035 503 VAL EEE CG2 
1389 N N   . GLY A 174 ? 0.483 0.233 0.421 0.002  -0.078 -0.027 504 GLY EEE N   
1390 C CA  . GLY A 174 ? 0.483 0.234 0.419 0.008  -0.082 -0.024 504 GLY EEE CA  
1391 C C   . GLY A 174 ? 0.503 0.230 0.397 0.014  -0.078 -0.019 504 GLY EEE C   
1392 O O   . GLY A 174 ? 0.483 0.211 0.372 0.018  -0.076 -0.015 504 GLY EEE O   
1393 N N   . TYR A 175 ? 0.520 0.225 0.383 0.015  -0.075 -0.019 505 TYR EEE N   
1394 C CA  . TYR A 175 ? 0.557 0.237 0.380 0.019  -0.067 -0.015 505 TYR EEE CA  
1395 C C   . TYR A 175 ? 0.523 0.209 0.344 0.019  -0.045 -0.012 505 TYR EEE C   
1396 O O   . TYR A 175 ? 0.528 0.198 0.323 0.022  -0.034 -0.010 505 TYR EEE O   
1397 C CB  . TYR A 175 ? 0.646 0.292 0.431 0.021  -0.080 -0.019 505 TYR EEE CB  
1398 C CG  . TYR A 175 ? 0.743 0.375 0.521 0.023  -0.104 -0.022 505 TYR EEE CG  
1399 C CD1 . TYR A 175 ? 0.795 0.439 0.603 0.020  -0.123 -0.028 505 TYR EEE CD1 
1400 C CD2 . TYR A 175 ? 0.823 0.430 0.567 0.028  -0.109 -0.019 505 TYR EEE CD2 
1401 C CE1 . TYR A 175 ? 0.877 0.509 0.684 0.024  -0.149 -0.032 505 TYR EEE CE1 
1402 C CE2 . TYR A 175 ? 0.901 0.491 0.636 0.031  -0.135 -0.022 505 TYR EEE CE2 
1403 C CZ  . TYR A 175 ? 0.895 0.499 0.664 0.030  -0.157 -0.029 505 TYR EEE CZ  
1404 O OH  . TYR A 175 ? 0.939 0.528 0.704 0.034  -0.185 -0.033 505 TYR EEE OH  
1405 N N   . GLN A 176 ? 0.484 0.191 0.333 0.016  -0.039 -0.012 506 GLN EEE N   
1406 C CA  . GLN A 176 ? 0.465 0.179 0.317 0.017  -0.022 -0.010 506 GLN EEE CA  
1407 C C   . GLN A 176 ? 0.443 0.172 0.305 0.019  -0.012 -0.005 506 GLN EEE C   
1408 O O   . GLN A 176 ? 0.426 0.166 0.301 0.018  -0.016 -0.004 506 GLN EEE O   
1409 C CB  . GLN A 176 ? 0.448 0.173 0.320 0.013  -0.022 -0.011 506 GLN EEE CB  
1410 C CG  . GLN A 176 ? 0.464 0.171 0.322 0.011  -0.029 -0.015 506 GLN EEE CG  
1411 C CD  . GLN A 176 ? 0.460 0.174 0.336 0.005  -0.029 -0.016 506 GLN EEE CD  
1412 O OE1 . GLN A 176 ? 0.435 0.164 0.328 0.003  -0.021 -0.013 506 GLN EEE OE1 
1413 N NE2 . GLN A 176 ? 0.490 0.189 0.358 0.001  -0.038 -0.021 506 GLN EEE NE2 
1414 N N   . PRO A 177 ? 0.444 0.173 0.303 0.022  0.003  -0.004 507 PRO EEE N   
1415 C CA  . PRO A 177 ? 0.423 0.168 0.295 0.023  0.013  -0.001 507 PRO EEE CA  
1416 C C   . PRO A 177 ? 0.407 0.174 0.307 0.020  0.011  0.001  507 PRO EEE C   
1417 O O   . PRO A 177 ? 0.370 0.141 0.278 0.019  0.010  0.000  507 PRO EEE O   
1418 C CB  . PRO A 177 ? 0.434 0.174 0.300 0.027  0.027  -0.002 507 PRO EEE CB  
1419 C CG  . PRO A 177 ? 0.448 0.178 0.309 0.028  0.023  -0.005 507 PRO EEE CG  
1420 C CD  . PRO A 177 ? 0.460 0.177 0.307 0.024  0.009  -0.007 507 PRO EEE CD  
1421 N N   . TYR A 178 ? 0.385 0.165 0.297 0.020  0.013  0.003  508 TYR EEE N   
1422 C CA  . TYR A 178 ? 0.379 0.178 0.313 0.017  0.014  0.005  508 TYR EEE CA  
1423 C C   . TYR A 178 ? 0.380 0.187 0.320 0.020  0.023  0.007  508 TYR EEE C   
1424 O O   . TYR A 178 ? 0.396 0.198 0.328 0.020  0.025  0.008  508 TYR EEE O   
1425 C CB  . TYR A 178 ? 0.366 0.173 0.312 0.014  0.006  0.004  508 TYR EEE CB  
1426 C CG  . TYR A 178 ? 0.373 0.180 0.325 0.010  -0.000 0.001  508 TYR EEE CG  
1427 C CD1 . TYR A 178 ? 0.393 0.186 0.332 0.010  -0.008 -0.001 508 TYR EEE CD1 
1428 C CD2 . TYR A 178 ? 0.352 0.170 0.321 0.005  0.002  0.001  508 TYR EEE CD2 
1429 C CE1 . TYR A 178 ? 0.378 0.170 0.324 0.005  -0.013 -0.005 508 TYR EEE CE1 
1430 C CE2 . TYR A 178 ? 0.356 0.172 0.330 -0.001 -0.001 -0.002 508 TYR EEE CE2 
1431 C CZ  . TYR A 178 ? 0.378 0.183 0.344 -0.001 -0.009 -0.005 508 TYR EEE CZ  
1432 O OH  . TYR A 178 ? 0.369 0.173 0.344 -0.007 -0.012 -0.009 508 TYR EEE OH  
1433 N N   . ARG A 179 ? 0.365 0.181 0.318 0.020  0.026  0.007  509 ARG EEE N   
1434 C CA  . ARG A 179 ? 0.348 0.175 0.313 0.021  0.032  0.008  509 ARG EEE CA  
1435 C C   . ARG A 179 ? 0.351 0.189 0.325 0.018  0.028  0.010  509 ARG EEE C   
1436 O O   . ARG A 179 ? 0.336 0.175 0.312 0.015  0.024  0.010  509 ARG EEE O   
1437 C CB  . ARG A 179 ? 0.355 0.186 0.329 0.025  0.033  0.007  509 ARG EEE CB  
1438 C CG  . ARG A 179 ? 0.377 0.201 0.348 0.029  0.040  0.004  509 ARG EEE CG  
1439 C CD  . ARG A 179 ? 0.385 0.211 0.367 0.034  0.038  0.002  509 ARG EEE CD  
1440 N NE  . ARG A 179 ? 0.405 0.224 0.385 0.038  0.047  -0.003 509 ARG EEE NE  
1441 C CZ  . ARG A 179 ? 0.420 0.243 0.416 0.044  0.050  -0.007 509 ARG EEE CZ  
1442 N NH1 . ARG A 179 ? 0.427 0.260 0.442 0.047  0.043  -0.008 509 ARG EEE NH1 
1443 N NH2 . ARG A 179 ? 0.462 0.278 0.455 0.047  0.060  -0.012 509 ARG EEE NH2 
1444 N N   . VAL A 180 ? 0.349 0.190 0.326 0.018  0.032  0.011  510 VAL EEE N   
1445 C CA  . VAL A 180 ? 0.324 0.173 0.310 0.016  0.029  0.012  510 VAL EEE CA  
1446 C C   . VAL A 180 ? 0.314 0.172 0.311 0.015  0.033  0.012  510 VAL EEE C   
1447 O O   . VAL A 180 ? 0.317 0.174 0.317 0.017  0.039  0.011  510 VAL EEE O   
1448 C CB  . VAL A 180 ? 0.341 0.183 0.319 0.015  0.026  0.012  510 VAL EEE CB  
1449 C CG1 . VAL A 180 ? 0.333 0.183 0.321 0.014  0.024  0.012  510 VAL EEE CG1 
1450 C CG2 . VAL A 180 ? 0.354 0.187 0.322 0.016  0.020  0.011  510 VAL EEE CG2 
1451 N N   . VAL A 181 ? 0.308 0.172 0.312 0.014  0.030  0.012  511 VAL EEE N   
1452 C CA  . VAL A 181 ? 0.318 0.189 0.332 0.013  0.031  0.011  511 VAL EEE CA  
1453 C C   . VAL A 181 ? 0.305 0.178 0.320 0.011  0.030  0.011  511 VAL EEE C   
1454 O O   . VAL A 181 ? 0.294 0.167 0.307 0.009  0.028  0.010  511 VAL EEE O   
1455 C CB  . VAL A 181 ? 0.337 0.210 0.354 0.014  0.026  0.010  511 VAL EEE CB  
1456 C CG1 . VAL A 181 ? 0.326 0.203 0.351 0.013  0.024  0.009  511 VAL EEE CG1 
1457 C CG2 . VAL A 181 ? 0.343 0.215 0.364 0.018  0.027  0.009  511 VAL EEE CG2 
1458 N N   . VAL A 182 ? 0.315 0.189 0.334 0.010  0.032  0.011  512 VAL EEE N   
1459 C CA  . VAL A 182 ? 0.315 0.190 0.336 0.009  0.031  0.011  512 VAL EEE CA  
1460 C C   . VAL A 182 ? 0.304 0.183 0.332 0.007  0.031  0.009  512 VAL EEE C   
1461 O O   . VAL A 182 ? 0.324 0.205 0.359 0.006  0.033  0.009  512 VAL EEE O   
1462 C CB  . VAL A 182 ? 0.316 0.183 0.331 0.010  0.031  0.012  512 VAL EEE CB  
1463 C CG1 . VAL A 182 ? 0.319 0.186 0.338 0.009  0.029  0.011  512 VAL EEE CG1 
1464 C CG2 . VAL A 182 ? 0.328 0.188 0.334 0.012  0.028  0.013  512 VAL EEE CG2 
1465 N N   . LEU A 183 ? 0.297 0.176 0.324 0.006  0.028  0.008  513 LEU EEE N   
1466 C CA  . LEU A 183 ? 0.312 0.192 0.341 0.004  0.026  0.006  513 LEU EEE CA  
1467 C C   . LEU A 183 ? 0.305 0.183 0.335 0.003  0.027  0.004  513 LEU EEE C   
1468 O O   . LEU A 183 ? 0.319 0.195 0.346 0.004  0.029  0.003  513 LEU EEE O   
1469 C CB  . LEU A 183 ? 0.333 0.208 0.353 0.004  0.022  0.005  513 LEU EEE CB  
1470 C CG  . LEU A 183 ? 0.339 0.213 0.356 0.006  0.019  0.006  513 LEU EEE CG  
1471 C CD1 . LEU A 183 ? 0.365 0.228 0.366 0.004  0.015  0.006  513 LEU EEE CD1 
1472 C CD2 . LEU A 183 ? 0.350 0.230 0.381 0.008  0.015  0.005  513 LEU EEE CD2 
1473 N N   . SER A 184 ? 0.320 0.197 0.356 0.002  0.028  0.004  514 SER EEE N   
1474 C CA  . SER A 184 ? 0.327 0.200 0.364 0.001  0.029  0.003  514 SER EEE CA  
1475 C C   . SER A 184 ? 0.305 0.176 0.342 -0.001 0.025  -0.000 514 SER EEE C   
1476 O O   . SER A 184 ? 0.299 0.173 0.342 -0.003 0.022  -0.001 514 SER EEE O   
1477 C CB  . SER A 184 ? 0.362 0.231 0.402 -0.000 0.032  0.005  514 SER EEE CB  
1478 O OG  . SER A 184 ? 0.522 0.385 0.554 0.002  0.033  0.008  514 SER EEE OG  
1479 N N   . PHE A 185 ? 0.312 0.179 0.344 -0.001 0.026  -0.004 515 PHE EEE N   
1480 C CA  . PHE A 185 ? 0.337 0.198 0.362 -0.003 0.022  -0.007 515 PHE EEE CA  
1481 C C   . PHE A 185 ? 0.349 0.204 0.377 -0.004 0.023  -0.010 515 PHE EEE C   
1482 O O   . PHE A 185 ? 0.345 0.198 0.374 -0.001 0.026  -0.011 515 PHE EEE O   
1483 C CB  . PHE A 185 ? 0.349 0.205 0.362 -0.003 0.025  -0.010 515 PHE EEE CB  
1484 C CG  . PHE A 185 ? 0.342 0.199 0.347 -0.003 0.025  -0.008 515 PHE EEE CG  
1485 C CD1 . PHE A 185 ? 0.350 0.210 0.359 -0.002 0.018  -0.005 515 PHE EEE CD1 
1486 C CD2 . PHE A 185 ? 0.362 0.216 0.359 -0.004 0.031  -0.010 515 PHE EEE CD2 
1487 C CE1 . PHE A 185 ? 0.352 0.210 0.353 -0.002 0.017  -0.003 515 PHE EEE CE1 
1488 C CE2 . PHE A 185 ? 0.368 0.219 0.356 -0.005 0.031  -0.008 515 PHE EEE CE2 
1489 C CZ  . PHE A 185 ? 0.356 0.208 0.344 -0.003 0.024  -0.004 515 PHE EEE CZ  
1490 N N   . GLU A 186 ? 0.359 0.212 0.392 -0.007 0.019  -0.011 516 GLU EEE N   
1491 C CA  . GLU A 186 ? 0.378 0.222 0.412 -0.009 0.019  -0.013 516 GLU EEE CA  
1492 C C   . GLU A 186 ? 0.386 0.221 0.409 -0.010 0.016  -0.019 516 GLU EEE C   
1493 O O   . GLU A 186 ? 0.370 0.204 0.386 -0.011 0.010  -0.021 516 GLU EEE O   
1494 C CB  . GLU A 186 ? 0.412 0.258 0.459 -0.014 0.019  -0.011 516 GLU EEE CB  
1495 C CG  . GLU A 186 ? 0.462 0.309 0.511 -0.013 0.025  -0.006 516 GLU EEE CG  
1496 C CD  . GLU A 186 ? 0.511 0.360 0.573 -0.020 0.029  -0.005 516 GLU EEE CD  
1497 O OE1 . GLU A 186 ? 0.468 0.313 0.537 -0.025 0.028  -0.008 516 GLU EEE OE1 
1498 O OE2 . GLU A 186 ? 0.611 0.465 0.676 -0.020 0.035  -0.002 516 GLU EEE OE2 
1499 N N   . LEU A 187 ? 0.377 0.203 0.396 -0.009 0.018  -0.022 517 LEU EEE N   
1500 C CA  . LEU A 187 ? 0.378 0.192 0.385 -0.010 0.017  -0.029 517 LEU EEE CA  
1501 C C   . LEU A 187 ? 0.374 0.178 0.385 -0.011 0.015  -0.030 517 LEU EEE C   
1502 O O   . LEU A 187 ? 0.384 0.179 0.391 -0.008 0.019  -0.034 517 LEU EEE O   
1503 C CB  . LEU A 187 ? 0.386 0.198 0.384 -0.006 0.024  -0.032 517 LEU EEE CB  
1504 C CG  . LEU A 187 ? 0.377 0.192 0.366 -0.006 0.027  -0.031 517 LEU EEE CG  
1505 C CD1 . LEU A 187 ? 0.380 0.198 0.369 -0.003 0.038  -0.035 517 LEU EEE CD1 
1506 C CD2 . LEU A 187 ? 0.403 0.206 0.371 -0.010 0.021  -0.034 517 LEU EEE CD2 
1507 N N   . LEU A 188 ? 0.364 0.170 0.385 -0.017 0.010  -0.028 518 LEU EEE N   
1508 C CA  . LEU A 188 ? 0.382 0.177 0.407 -0.021 0.009  -0.030 518 LEU EEE CA  
1509 C C   . LEU A 188 ? 0.393 0.177 0.410 -0.024 0.003  -0.037 518 LEU EEE C   
1510 O O   . LEU A 188 ? 0.388 0.170 0.393 -0.023 -0.002 -0.040 518 LEU EEE O   
1511 C CB  . LEU A 188 ? 0.381 0.183 0.422 -0.027 0.010  -0.025 518 LEU EEE CB  
1512 C CG  . LEU A 188 ? 0.370 0.179 0.415 -0.024 0.017  -0.018 518 LEU EEE CG  
1513 C CD1 . LEU A 188 ? 0.374 0.187 0.433 -0.031 0.022  -0.015 518 LEU EEE CD1 
1514 C CD2 . LEU A 188 ? 0.380 0.178 0.414 -0.018 0.021  -0.016 518 LEU EEE CD2 
1515 N N   . HIS A 189 ? 0.394 0.165 0.413 -0.028 0.001  -0.039 519 HIS EEE N   
1516 C CA  . HIS A 189 ? 0.420 0.178 0.432 -0.032 -0.006 -0.046 519 HIS EEE CA  
1517 C C   . HIS A 189 ? 0.432 0.197 0.458 -0.040 -0.015 -0.048 519 HIS EEE C   
1518 O O   . HIS A 189 ? 0.447 0.209 0.488 -0.047 -0.016 -0.048 519 HIS EEE O   
1519 C CB  . HIS A 189 ? 0.426 0.166 0.433 -0.032 -0.003 -0.048 519 HIS EEE CB  
1520 C CG  . HIS A 189 ? 0.421 0.156 0.418 -0.022 0.004  -0.049 519 HIS EEE CG  
1521 N ND1 . HIS A 189 ? 0.424 0.155 0.407 -0.017 0.006  -0.055 519 HIS EEE ND1 
1522 C CD2 . HIS A 189 ? 0.417 0.150 0.418 -0.017 0.009  -0.045 519 HIS EEE CD2 
1523 C CE1 . HIS A 189 ? 0.427 0.158 0.411 -0.009 0.014  -0.056 519 HIS EEE CE1 
1524 N NE2 . HIS A 189 ? 0.414 0.146 0.410 -0.008 0.014  -0.049 519 HIS EEE NE2 
1525 N N   . ALA A 190 ? 0.431 0.205 0.456 -0.038 -0.022 -0.048 520 ALA EEE N   
1526 C CA  . ALA A 190 ? 0.429 0.214 0.474 -0.043 -0.033 -0.050 520 ALA EEE CA  
1527 C C   . ALA A 190 ? 0.429 0.213 0.458 -0.039 -0.043 -0.052 520 ALA EEE C   
1528 O O   . ALA A 190 ? 0.424 0.202 0.430 -0.033 -0.038 -0.050 520 ALA EEE O   
1529 C CB  . ALA A 190 ? 0.413 0.217 0.484 -0.045 -0.024 -0.044 520 ALA EEE CB  
1530 N N   . PRO A 191 ? 0.449 0.237 0.490 -0.041 -0.059 -0.056 521 PRO EEE N   
1531 C CA  . PRO A 191 ? 0.463 0.244 0.484 -0.037 -0.071 -0.057 521 PRO EEE CA  
1532 C C   . PRO A 191 ? 0.450 0.244 0.471 -0.031 -0.063 -0.050 521 PRO EEE C   
1533 O O   . PRO A 191 ? 0.419 0.232 0.466 -0.032 -0.054 -0.046 521 PRO EEE O   
1534 C CB  . PRO A 191 ? 0.475 0.262 0.521 -0.040 -0.092 -0.063 521 PRO EEE CB  
1535 C CG  . PRO A 191 ? 0.485 0.272 0.551 -0.048 -0.091 -0.067 521 PRO EEE CG  
1536 C CD  . PRO A 191 ? 0.463 0.258 0.535 -0.049 -0.068 -0.061 521 PRO EEE CD  
1537 N N   . ALA A 192 ? 0.465 0.244 0.453 -0.027 -0.064 -0.049 522 ALA EEE N   
1538 C CA  . ALA A 192 ? 0.446 0.233 0.431 -0.022 -0.061 -0.043 522 ALA EEE CA  
1539 C C   . ALA A 192 ? 0.432 0.233 0.443 -0.021 -0.075 -0.043 522 ALA EEE C   
1540 O O   . ALA A 192 ? 0.456 0.250 0.471 -0.023 -0.093 -0.049 522 ALA EEE O   
1541 C CB  . ALA A 192 ? 0.476 0.240 0.418 -0.020 -0.062 -0.043 522 ALA EEE CB  
1542 N N   . THR A 193 ? 0.419 0.239 0.450 -0.019 -0.067 -0.039 523 THR EEE N   
1543 C CA  A THR A 193 ? 0.425 0.260 0.484 -0.016 -0.078 -0.040 523 THR EEE CA  
1544 C CA  B THR A 193 ? 0.408 0.242 0.466 -0.016 -0.079 -0.040 523 THR EEE CA  
1545 C C   . THR A 193 ? 0.414 0.246 0.457 -0.010 -0.079 -0.035 523 THR EEE C   
1546 O O   . THR A 193 ? 0.410 0.247 0.469 -0.006 -0.092 -0.037 523 THR EEE O   
1547 C CB  A THR A 193 ? 0.416 0.276 0.516 -0.020 -0.065 -0.039 523 THR EEE CB  
1548 C CB  B THR A 193 ? 0.381 0.240 0.484 -0.020 -0.070 -0.041 523 THR EEE CB  
1549 O OG1 A THR A 193 ? 0.454 0.329 0.586 -0.018 -0.076 -0.043 523 THR EEE OG1 
1550 O OG1 B THR A 193 ? 0.348 0.214 0.447 -0.018 -0.051 -0.034 523 THR EEE OG1 
1551 C CG2 A THR A 193 ? 0.396 0.262 0.491 -0.018 -0.046 -0.032 523 THR EEE CG2 
1552 C CG2 B THR A 193 ? 0.375 0.234 0.490 -0.027 -0.067 -0.045 523 THR EEE CG2 
1553 N N   . VAL A 194 ? 0.418 0.241 0.433 -0.010 -0.066 -0.030 524 VAL EEE N   
1554 C CA  . VAL A 194 ? 0.433 0.250 0.431 -0.005 -0.064 -0.025 524 VAL EEE CA  
1555 C C   . VAL A 194 ? 0.474 0.265 0.427 -0.006 -0.061 -0.024 524 VAL EEE C   
1556 O O   . VAL A 194 ? 0.480 0.270 0.425 -0.009 -0.046 -0.024 524 VAL EEE O   
1557 C CB  . VAL A 194 ? 0.407 0.243 0.422 -0.004 -0.048 -0.020 524 VAL EEE CB  
1558 C CG1 . VAL A 194 ? 0.419 0.248 0.417 -0.001 -0.047 -0.016 524 VAL EEE CG1 
1559 C CG2 . VAL A 194 ? 0.387 0.245 0.442 -0.004 -0.047 -0.022 524 VAL EEE CG2 
1560 N N   . CYS A 195 ? 0.486 0.254 0.410 -0.004 -0.075 -0.024 525 CYS EEE N   
1561 C CA  . CYS A 195 ? 0.529 0.267 0.405 -0.007 -0.070 -0.024 525 CYS EEE CA  
1562 C C   . CYS A 195 ? 0.533 0.258 0.389 -0.004 -0.073 -0.019 525 CYS EEE C   
1563 O O   . CYS A 195 ? 0.511 0.245 0.385 0.001  -0.085 -0.018 525 CYS EEE O   
1564 C CB  . CYS A 195 ? 0.567 0.278 0.415 -0.008 -0.087 -0.029 525 CYS EEE CB  
1565 S SG  . CYS A 195 ? 0.583 0.300 0.444 -0.012 -0.081 -0.035 525 CYS EEE SG  
1566 N N   . GLY A 196 ? 0.575 0.280 0.394 -0.008 -0.059 -0.017 526 GLY EEE N   
1567 C CA  . GLY A 196 ? 0.596 0.278 0.384 -0.008 -0.061 -0.013 526 GLY EEE CA  
1568 C C   . GLY A 196 ? 0.664 0.310 0.414 -0.006 -0.084 -0.013 526 GLY EEE C   
1569 O O   . GLY A 196 ? 0.670 0.307 0.413 -0.006 -0.097 -0.018 526 GLY EEE O   
1570 N N   . PRO A 197 ? 0.692 0.314 0.414 -0.004 -0.093 -0.009 527 PRO EEE N   
1571 C CA  . PRO A 197 ? 0.763 0.344 0.443 -0.001 -0.118 -0.009 527 PRO EEE CA  
1572 C C   . PRO A 197 ? 0.847 0.388 0.471 -0.007 -0.115 -0.012 527 PRO EEE C   
1573 O O   . PRO A 197 ? 0.873 0.409 0.479 -0.015 -0.089 -0.012 527 PRO EEE O   
1574 C CB  . PRO A 197 ? 0.775 0.336 0.430 0.001  -0.119 -0.003 527 PRO EEE CB  
1575 C CG  . PRO A 197 ? 0.711 0.314 0.415 0.002  -0.102 -0.000 527 PRO EEE CG  
1576 C CD  . PRO A 197 ? 0.677 0.308 0.406 -0.004 -0.080 -0.004 527 PRO EEE CD  
1577 N N   . LYS A 198 ? 0.938 0.452 0.538 -0.004 -0.142 -0.015 528 LYS EEE N   
1578 C CA  . LYS A 198 ? 1.052 0.520 0.591 -0.009 -0.144 -0.019 528 LYS EEE CA  
1579 C C   . LYS A 198 ? 1.083 0.500 0.551 -0.015 -0.135 -0.014 528 LYS EEE C   
1580 O O   . LYS A 198 ? 1.046 0.453 0.506 -0.012 -0.140 -0.007 528 LYS EEE O   
1581 C CB  . LYS A 198 ? 1.134 0.585 0.666 -0.004 -0.180 -0.024 528 LYS EEE CB  
1582 C CG  . LYS A 198 ? 1.235 0.627 0.692 -0.008 -0.189 -0.027 528 LYS EEE CG  
1583 C CD  . LYS A 198 ? 1.280 0.660 0.739 -0.003 -0.225 -0.033 528 LYS EEE CD  
1584 C CE  . LYS A 198 ? 1.399 0.719 0.780 -0.008 -0.231 -0.037 528 LYS EEE CE  
1585 N NZ  . LYS A 198 ? 1.468 0.784 0.860 -0.004 -0.265 -0.045 528 LYS EEE NZ  
1586 N N   . GLN B 1   ? 1.054 1.083 0.682 0.056  0.010  0.223  3   GLN BBB N   
1587 C CA  . GLN B 1   ? 0.980 0.985 0.647 0.058  0.023  0.177  3   GLN BBB CA  
1588 C C   . GLN B 1   ? 0.913 0.931 0.627 0.086  0.006  0.186  3   GLN BBB C   
1589 O O   . GLN B 1   ? 0.922 0.939 0.651 0.113  -0.004 0.227  3   GLN BBB O   
1590 C CB  . GLN B 1   ? 0.998 1.031 0.644 0.021  0.030  0.132  3   GLN BBB CB  
1591 C CG  . GLN B 1   ? 1.057 1.081 0.657 -0.012 0.051  0.117  3   GLN BBB CG  
1592 C CD  . GLN B 1   ? 1.112 1.170 0.693 -0.051 0.060  0.073  3   GLN BBB CD  
1593 O OE1 . GLN B 1   ? 1.118 1.217 0.708 -0.056 0.043  0.064  3   GLN BBB OE1 
1594 N NE2 . GLN B 1   ? 1.179 1.218 0.736 -0.080 0.089  0.043  3   GLN BBB NE2 
1595 N N   . VAL B 2   ? 0.828 0.856 0.565 0.080  0.006  0.151  4   VAL BBB N   
1596 C CA  . VAL B 2   ? 0.769 0.792 0.554 0.104  -0.000 0.149  4   VAL BBB CA  
1597 C C   . VAL B 2   ? 0.759 0.844 0.551 0.095  -0.020 0.143  4   VAL BBB C   
1598 O O   . VAL B 2   ? 0.772 0.880 0.546 0.065  -0.017 0.113  4   VAL BBB O   
1599 C CB  . VAL B 2   ? 0.720 0.697 0.530 0.103  0.018  0.115  4   VAL BBB CB  
1600 C CG1 . VAL B 2   ? 0.684 0.651 0.534 0.123  0.014  0.113  4   VAL BBB CG1 
1601 C CG2 . VAL B 2   ? 0.722 0.645 0.523 0.103  0.036  0.117  4   VAL BBB CG2 
1602 N N   . GLN B 3   ? 0.749 0.861 0.569 0.119  -0.036 0.171  5   GLN BBB N   
1603 C CA  . GLN B 3   ? 0.733 0.901 0.572 0.114  -0.054 0.165  5   GLN BBB CA  
1604 C C   . GLN B 3   ? 0.667 0.811 0.552 0.133  -0.045 0.149  5   GLN BBB C   
1605 O O   . GLN B 3   ? 0.659 0.758 0.563 0.156  -0.033 0.159  5   GLN BBB O   
1606 C CB  . GLN B 3   ? 0.779 1.003 0.626 0.127  -0.078 0.212  5   GLN BBB CB  
1607 C CG  . GLN B 3   ? 0.856 1.108 0.654 0.109  -0.091 0.239  5   GLN BBB CG  
1608 C CD  . GLN B 3   ? 0.902 1.104 0.694 0.128  -0.078 0.269  5   GLN BBB CD  
1609 O OE1 . GLN B 3   ? 0.916 1.079 0.749 0.161  -0.068 0.284  5   GLN BBB OE1 
1610 N NE2 . GLN B 3   ? 0.951 1.152 0.689 0.104  -0.075 0.274  5   GLN BBB NE2 
1611 N N   . LEU B 4   ? 0.626 0.800 0.527 0.119  -0.050 0.122  6   LEU BBB N   
1612 C CA  . LEU B 4   ? 0.578 0.733 0.516 0.129  -0.042 0.104  6   LEU BBB CA  
1613 C C   . LEU B 4   ? 0.580 0.793 0.546 0.131  -0.058 0.110  6   LEU BBB C   
1614 O O   . LEU B 4   ? 0.589 0.849 0.542 0.107  -0.070 0.098  6   LEU BBB O   
1615 C CB  . LEU B 4   ? 0.539 0.668 0.476 0.107  -0.029 0.066  6   LEU BBB CB  
1616 C CG  . LEU B 4   ? 0.539 0.618 0.455 0.100  -0.013 0.059  6   LEU BBB CG  
1617 C CD1 . LEU B 4   ? 0.512 0.573 0.443 0.079  -0.001 0.025  6   LEU BBB CD1 
1618 C CD2 . LEU B 4   ? 0.536 0.567 0.459 0.123  -0.005 0.076  6   LEU BBB CD2 
1619 N N   . VAL B 5   ? 0.572 0.781 0.575 0.157  -0.055 0.123  7   VAL BBB N   
1620 C CA  . VAL B 5   ? 0.581 0.846 0.622 0.164  -0.068 0.133  7   VAL BBB CA  
1621 C C   . VAL B 5   ? 0.550 0.792 0.620 0.168  -0.053 0.111  7   VAL BBB C   
1622 O O   . VAL B 5   ? 0.546 0.746 0.629 0.188  -0.037 0.117  7   VAL BBB O   
1623 C CB  . VAL B 5   ? 0.622 0.911 0.688 0.191  -0.077 0.178  7   VAL BBB CB  
1624 C CG1 . VAL B 5   ? 0.658 0.975 0.691 0.182  -0.096 0.204  7   VAL BBB CG1 
1625 C CG2 . VAL B 5   ? 0.641 0.871 0.728 0.220  -0.055 0.189  7   VAL BBB CG2 
1626 N N   . GLU B 6   ? 0.530 0.796 0.606 0.147  -0.057 0.086  8   GLU BBB N   
1627 C CA  . GLU B 6   ? 0.499 0.751 0.601 0.147  -0.045 0.068  8   GLU BBB CA  
1628 C C   . GLU B 6   ? 0.492 0.784 0.637 0.165  -0.047 0.083  8   GLU BBB C   
1629 O O   . GLU B 6   ? 0.509 0.851 0.667 0.171  -0.064 0.105  8   GLU BBB O   
1630 C CB  . GLU B 6   ? 0.478 0.741 0.578 0.118  -0.046 0.038  8   GLU BBB CB  
1631 C CG  . GLU B 6   ? 0.478 0.702 0.551 0.101  -0.039 0.021  8   GLU BBB CG  
1632 C CD  . GLU B 6   ? 0.486 0.738 0.535 0.080  -0.047 0.012  8   GLU BBB CD  
1633 O OE1 . GLU B 6   ? 0.502 0.803 0.545 0.079  -0.063 0.026  8   GLU BBB OE1 
1634 O OE2 . GLU B 6   ? 0.473 0.698 0.511 0.062  -0.037 -0.008 8   GLU BBB OE2 
1635 N N   . SER B 7   ? 0.467 0.738 0.632 0.170  -0.031 0.073  9   SER BBB N   
1636 C CA  . SER B 7   ? 0.461 0.766 0.673 0.184  -0.026 0.081  9   SER BBB CA  
1637 C C   . SER B 7   ? 0.438 0.713 0.654 0.176  -0.005 0.060  9   SER BBB C   
1638 O O   . SER B 7   ? 0.443 0.670 0.626 0.164  0.002  0.047  9   SER BBB O   
1639 C CB  . SER B 7   ? 0.476 0.780 0.715 0.215  -0.019 0.110  9   SER BBB CB  
1640 O OG  . SER B 7   ? 0.485 0.722 0.703 0.224  0.003  0.106  9   SER BBB OG  
1641 N N   . GLY B 8   ? 0.430 0.736 0.686 0.182  0.002  0.060  10  GLY BBB N   
1642 C CA  . GLY B 8   ? 0.430 0.712 0.689 0.174  0.025  0.043  10  GLY BBB CA  
1643 C C   . GLY B 8   ? 0.409 0.708 0.666 0.147  0.018  0.025  10  GLY BBB C   
1644 O O   . GLY B 8   ? 0.392 0.673 0.647 0.135  0.034  0.014  10  GLY BBB O   
1645 N N   . GLY B 9   ? 0.397 0.730 0.655 0.134  -0.004 0.023  11  GLY BBB N   
1646 C CA  . GLY B 9   ? 0.390 0.740 0.655 0.108  -0.008 0.005  11  GLY BBB CA  
1647 C C   . GLY B 9   ? 0.390 0.794 0.699 0.107  -0.008 0.004  11  GLY BBB C   
1648 O O   . GLY B 9   ? 0.412 0.831 0.748 0.127  0.002  0.016  11  GLY BBB O   
1649 N N   . GLY B 10  ? 0.375 0.809 0.697 0.084  -0.016 -0.011 12  GLY BBB N   
1650 C CA  . GLY B 10  ? 0.366 0.858 0.733 0.078  -0.018 -0.014 12  GLY BBB CA  
1651 C C   . GLY B 10  ? 0.359 0.837 0.737 0.059  -0.002 -0.028 12  GLY BBB C   
1652 O O   . GLY B 10  ? 0.350 0.783 0.705 0.044  0.003  -0.036 12  GLY BBB O   
1653 N N   . LEU B 11  ? 0.362 0.879 0.781 0.060  0.006  -0.028 13  LEU BBB N   
1654 C CA  . LEU B 11  ? 0.368 0.887 0.806 0.039  0.020  -0.040 13  LEU BBB CA  
1655 C C   . LEU B 11  ? 0.378 0.851 0.798 0.043  0.044  -0.035 13  LEU BBB C   
1656 O O   . LEU B 11  ? 0.389 0.857 0.811 0.064  0.055  -0.026 13  LEU BBB O   
1657 C CB  . LEU B 11  ? 0.375 0.965 0.867 0.038  0.016  -0.041 13  LEU BBB CB  
1658 C CG  . LEU B 11  ? 0.378 0.994 0.898 0.009  0.019  -0.057 13  LEU BBB CG  
1659 C CD1 . LEU B 11  ? 0.380 0.969 0.878 -0.016 0.012  -0.073 13  LEU BBB CD1 
1660 C CD2 . LEU B 11  ? 0.376 1.071 0.945 0.007  0.005  -0.058 13  LEU BBB CD2 
1661 N N   . VAL B 12  ? 0.378 0.819 0.784 0.021  0.052  -0.039 14  VAL BBB N   
1662 C CA  . VAL B 12  ? 0.399 0.804 0.782 0.015  0.073  -0.034 14  VAL BBB CA  
1663 C C   . VAL B 12  ? 0.403 0.803 0.795 -0.013 0.079  -0.035 14  VAL BBB C   
1664 O O   . VAL B 12  ? 0.383 0.786 0.790 -0.027 0.066  -0.040 14  VAL BBB O   
1665 C CB  . VAL B 12  ? 0.411 0.761 0.743 0.020  0.072  -0.026 14  VAL BBB CB  
1666 C CG1 . VAL B 12  ? 0.398 0.722 0.717 0.007  0.055  -0.024 14  VAL BBB CG1 
1667 C CG2 . VAL B 12  ? 0.442 0.760 0.743 0.011  0.094  -0.023 14  VAL BBB CG2 
1668 N N   . GLN B 13  ? 0.425 0.819 0.811 -0.024 0.100  -0.032 15  GLN BBB N   
1669 C CA  . GLN B 13  ? 0.442 0.831 0.835 -0.052 0.107  -0.027 15  GLN BBB CA  
1670 C C   . GLN B 13  ? 0.443 0.783 0.797 -0.067 0.100  -0.011 15  GLN BBB C   
1671 O O   . GLN B 13  ? 0.453 0.763 0.764 -0.060 0.100  -0.005 15  GLN BBB O   
1672 C CB  . GLN B 13  ? 0.486 0.890 0.884 -0.061 0.134  -0.029 15  GLN BBB CB  
1673 C CG  . GLN B 13  ? 0.491 0.950 0.947 -0.059 0.140  -0.041 15  GLN BBB CG  
1674 C CD  . GLN B 13  ? 0.544 1.012 1.004 -0.073 0.170  -0.043 15  GLN BBB CD  
1675 O OE1 . GLN B 13  ? 0.597 1.031 1.011 -0.086 0.186  -0.035 15  GLN BBB OE1 
1676 N NE2 . GLN B 13  ? 0.548 1.066 1.063 -0.074 0.179  -0.052 15  GLN BBB NE2 
1677 N N   . ALA B 14  ? 0.431 0.764 0.806 -0.088 0.094  -0.002 16  ALA BBB N   
1678 C CA  . ALA B 14  ? 0.437 0.729 0.789 -0.105 0.087  0.023  16  ALA BBB CA  
1679 C C   . ALA B 14  ? 0.458 0.734 0.756 -0.115 0.098  0.035  16  ALA BBB C   
1680 O O   . ALA B 14  ? 0.476 0.771 0.771 -0.123 0.119  0.029  16  ALA BBB O   
1681 C CB  . ALA B 14  ? 0.445 0.742 0.840 -0.128 0.090  0.034  16  ALA BBB CB  
1682 N N   . GLY B 15  ? 0.458 0.701 0.714 -0.116 0.087  0.048  17  GLY BBB N   
1683 C CA  . GLY B 15  ? 0.491 0.716 0.687 -0.132 0.096  0.058  17  GLY BBB CA  
1684 C C   . GLY B 15  ? 0.492 0.709 0.657 -0.111 0.106  0.037  17  GLY BBB C   
1685 O O   . GLY B 15  ? 0.519 0.712 0.630 -0.123 0.111  0.041  17  GLY BBB O   
1686 N N   . GLY B 16  ? 0.459 0.695 0.658 -0.082 0.109  0.017  18  GLY BBB N   
1687 C CA  . GLY B 16  ? 0.462 0.695 0.648 -0.058 0.121  -0.000 18  GLY BBB CA  
1688 C C   . GLY B 16  ? 0.448 0.652 0.612 -0.044 0.104  0.003  18  GLY BBB C   
1689 O O   . GLY B 16  ? 0.441 0.628 0.600 -0.054 0.084  0.018  18  GLY BBB O   
1690 N N   . SER B 17  ? 0.451 0.648 0.607 -0.022 0.116  -0.009 19  SER BBB N   
1691 C CA  . SER B 17  ? 0.452 0.619 0.583 -0.008 0.106  -0.008 19  SER BBB CA  
1692 C C   . SER B 17  ? 0.424 0.610 0.591 0.025  0.101  -0.014 19  SER BBB C   
1693 O O   . SER B 17  ? 0.422 0.639 0.623 0.039  0.114  -0.020 19  SER BBB O   
1694 C CB  . SER B 17  ? 0.497 0.632 0.581 -0.018 0.128  -0.015 19  SER BBB CB  
1695 O OG  . SER B 17  ? 0.531 0.648 0.572 -0.053 0.122  -0.004 19  SER BBB OG  
1696 N N   . LEU B 18  ? 0.416 0.586 0.574 0.035  0.083  -0.008 20  LEU BBB N   
1697 C CA  . LEU B 18  ? 0.410 0.590 0.586 0.064  0.077  -0.009 20  LEU BBB CA  
1698 C C   . LEU B 18  ? 0.419 0.556 0.559 0.070  0.075  -0.005 20  LEU BBB C   
1699 O O   . LEU B 18  ? 0.414 0.522 0.523 0.050  0.069  -0.002 20  LEU BBB O   
1700 C CB  . LEU B 18  ? 0.385 0.597 0.589 0.067  0.055  -0.007 20  LEU BBB CB  
1701 C CG  . LEU B 18  ? 0.379 0.642 0.626 0.065  0.055  -0.012 20  LEU BBB CG  
1702 C CD1 . LEU B 18  ? 0.362 0.649 0.627 0.058  0.035  -0.016 20  LEU BBB CD1 
1703 C CD2 . LEU B 18  ? 0.390 0.682 0.666 0.089  0.066  -0.011 20  LEU BBB CD2 
1704 N N   . ARG B 19  ? 0.434 0.572 0.584 0.095  0.077  -0.003 21  ARG BBB N   
1705 C CA  . ARG B 19  ? 0.464 0.563 0.586 0.103  0.076  0.000  21  ARG BBB CA  
1706 C C   . ARG B 19  ? 0.424 0.543 0.564 0.124  0.059  0.010  21  ARG BBB C   
1707 O O   . ARG B 19  ? 0.416 0.561 0.586 0.145  0.064  0.016  21  ARG BBB O   
1708 C CB  . ARG B 19  ? 0.531 0.602 0.643 0.111  0.105  -0.006 21  ARG BBB CB  
1709 C CG  . ARG B 19  ? 0.590 0.616 0.670 0.113  0.108  -0.006 21  ARG BBB CG  
1710 C CD  . ARG B 19  ? 0.682 0.680 0.757 0.116  0.143  -0.018 21  ARG BBB CD  
1711 N NE  . ARG B 19  ? 0.784 0.737 0.835 0.120  0.150  -0.019 21  ARG BBB NE  
1712 C CZ  . ARG B 19  ? 0.892 0.812 0.897 0.095  0.146  -0.025 21  ARG BBB CZ  
1713 N NH1 . ARG B 19  ? 0.909 0.836 0.888 0.066  0.131  -0.025 21  ARG BBB NH1 
1714 N NH2 . ARG B 19  ? 0.947 0.828 0.936 0.100  0.156  -0.027 21  ARG BBB NH2 
1715 N N   . LEU B 20  ? 0.399 0.511 0.525 0.115  0.041  0.011  22  LEU BBB N   
1716 C CA  . LEU B 20  ? 0.389 0.517 0.521 0.127  0.026  0.019  22  LEU BBB CA  
1717 C C   . LEU B 20  ? 0.407 0.496 0.516 0.142  0.033  0.026  22  LEU BBB C   
1718 O O   . LEU B 20  ? 0.412 0.459 0.496 0.132  0.043  0.022  22  LEU BBB O   
1719 C CB  . LEU B 20  ? 0.370 0.501 0.497 0.109  0.011  0.012  22  LEU BBB CB  
1720 C CG  . LEU B 20  ? 0.352 0.510 0.503 0.091  0.007  0.003  22  LEU BBB CG  
1721 C CD1 . LEU B 20  ? 0.340 0.499 0.496 0.074  -0.002 -0.006 22  LEU BBB CD1 
1722 C CD2 . LEU B 20  ? 0.355 0.563 0.534 0.098  0.006  0.003  22  LEU BBB CD2 
1723 N N   . ALA B 21  ? 0.412 0.519 0.533 0.162  0.029  0.040  23  ALA BBB N   
1724 C CA  . ALA B 21  ? 0.437 0.510 0.541 0.176  0.034  0.051  23  ALA BBB CA  
1725 C C   . ALA B 21  ? 0.433 0.527 0.528 0.176  0.014  0.061  23  ALA BBB C   
1726 O O   . ALA B 21  ? 0.422 0.566 0.533 0.174  -0.001 0.065  23  ALA BBB O   
1727 C CB  . ALA B 21  ? 0.457 0.529 0.589 0.201  0.051  0.064  23  ALA BBB CB  
1728 N N   . CYS B 22  ? 0.454 0.512 0.522 0.174  0.015  0.064  24  CYS BBB N   
1729 C CA  . CYS B 22  ? 0.472 0.543 0.524 0.174  0.002  0.074  24  CYS BBB CA  
1730 C C   . CYS B 22  ? 0.495 0.530 0.537 0.191  0.012  0.092  24  CYS BBB C   
1731 O O   . CYS B 22  ? 0.495 0.481 0.521 0.186  0.025  0.083  24  CYS BBB O   
1732 C CB  . CYS B 22  ? 0.464 0.526 0.498 0.149  -0.003 0.055  24  CYS BBB CB  
1733 S SG  . CYS B 22  ? 0.499 0.565 0.505 0.141  -0.010 0.060  24  CYS BBB SG  
1734 N N   . ILE B 23  ? 0.526 0.586 0.577 0.208  0.005  0.118  25  ILE BBB N   
1735 C CA  . ILE B 23  ? 0.562 0.591 0.608 0.225  0.013  0.141  25  ILE BBB CA  
1736 C C   . ILE B 23  ? 0.570 0.603 0.579 0.210  0.001  0.146  25  ILE BBB C   
1737 O O   . ILE B 23  ? 0.545 0.629 0.547 0.200  -0.018 0.152  25  ILE BBB O   
1738 C CB  . ILE B 23  ? 0.601 0.656 0.689 0.253  0.013  0.175  25  ILE BBB CB  
1739 C CG1 . ILE B 23  ? 0.599 0.653 0.727 0.265  0.030  0.165  25  ILE BBB CG1 
1740 C CG2 . ILE B 23  ? 0.635 0.653 0.723 0.270  0.024  0.201  25  ILE BBB CG2 
1741 C CD1 . ILE B 23  ? 0.613 0.712 0.797 0.290  0.026  0.196  25  ILE BBB CD1 
1742 N N   . ALA B 24  ? 0.595 0.577 0.581 0.206  0.013  0.141  26  ALA BBB N   
1743 C CA  . ALA B 24  ? 0.627 0.601 0.578 0.192  0.010  0.143  26  ALA BBB CA  
1744 C C   . ALA B 24  ? 0.692 0.648 0.640 0.210  0.015  0.177  26  ALA BBB C   
1745 O O   . ALA B 24  ? 0.776 0.692 0.744 0.227  0.032  0.183  26  ALA BBB O   
1746 C CB  . ALA B 24  ? 0.613 0.544 0.550 0.174  0.021  0.116  26  ALA BBB CB  
1747 N N   . SER B 25  ? 0.710 0.696 0.636 0.205  0.001  0.199  27  SER BBB N   
1748 C CA  . SER B 25  ? 0.745 0.732 0.674 0.223  -0.001 0.243  27  SER BBB CA  
1749 C C   . SER B 25  ? 0.753 0.735 0.634 0.203  -0.003 0.250  27  SER BBB C   
1750 O O   . SER B 25  ? 0.726 0.738 0.577 0.176  -0.012 0.229  27  SER BBB O   
1751 C CB  . SER B 25  ? 0.776 0.825 0.733 0.236  -0.022 0.274  27  SER BBB CB  
1752 O OG  . SER B 25  ? 0.783 0.852 0.770 0.238  -0.023 0.251  27  SER BBB OG  
1753 N N   . GLY B 26  ? 0.771 0.718 0.648 0.215  0.008  0.277  28  GLY BBB N   
1754 C CA  . GLY B 26  ? 0.797 0.745 0.629 0.198  0.006  0.294  28  GLY BBB CA  
1755 C C   . GLY B 26  ? 0.793 0.679 0.605 0.187  0.030  0.272  28  GLY BBB C   
1756 O O   . GLY B 26  ? 0.825 0.704 0.605 0.178  0.034  0.292  28  GLY BBB O   
1757 N N   . ARG B 27  ? 0.751 0.598 0.580 0.186  0.045  0.236  29  ARG BBB N   
1758 C CA  . ARG B 27  ? 0.748 0.540 0.568 0.175  0.066  0.215  29  ARG BBB CA  
1759 C C   . ARG B 27  ? 0.717 0.468 0.568 0.187  0.079  0.197  29  ARG BBB C   
1760 O O   . ARG B 27  ? 0.711 0.481 0.585 0.197  0.072  0.191  29  ARG BBB O   
1761 C CB  . ARG B 27  ? 0.728 0.530 0.528 0.146  0.067  0.179  29  ARG BBB CB  
1762 C CG  . ARG B 27  ? 0.769 0.600 0.528 0.125  0.064  0.186  29  ARG BBB CG  
1763 C CD  . ARG B 27  ? 0.826 0.625 0.563 0.125  0.078  0.210  29  ARG BBB CD  
1764 N NE  . ARG B 27  ? 0.869 0.692 0.560 0.098  0.080  0.209  29  ARG BBB NE  
1765 C CZ  . ARG B 27  ? 0.926 0.792 0.582 0.090  0.065  0.240  29  ARG BBB CZ  
1766 N NH1 . ARG B 27  ? 0.936 0.829 0.606 0.113  0.045  0.279  29  ARG BBB NH1 
1767 N NH2 . ARG B 27  ? 0.971 0.856 0.580 0.059  0.072  0.232  29  ARG BBB NH2 
1768 N N   . THR B 28  ? 0.715 0.414 0.565 0.182  0.097  0.187  30  THR BBB N   
1769 C CA  . THR B 28  ? 0.698 0.357 0.570 0.185  0.111  0.168  30  THR BBB CA  
1770 C C   . THR B 28  ? 0.651 0.333 0.530 0.172  0.100  0.138  30  THR BBB C   
1771 O O   . THR B 28  ? 0.620 0.310 0.492 0.152  0.095  0.119  30  THR BBB O   
1772 C CB  . THR B 28  ? 0.710 0.319 0.575 0.172  0.129  0.158  30  THR BBB CB  
1773 O OG1 . THR B 28  ? 0.761 0.346 0.620 0.183  0.141  0.187  30  THR BBB OG1 
1774 C CG2 . THR B 28  ? 0.710 0.283 0.588 0.167  0.141  0.136  30  THR BBB CG2 
1775 N N   . PHE B 29  ? 0.638 0.331 0.537 0.184  0.098  0.135  31  PHE BBB N   
1776 C CA  . PHE B 29  ? 0.603 0.325 0.509 0.174  0.086  0.114  31  PHE BBB CA  
1777 C C   . PHE B 29  ? 0.586 0.284 0.489 0.151  0.088  0.090  31  PHE BBB C   
1778 O O   . PHE B 29  ? 0.556 0.279 0.465 0.136  0.075  0.076  31  PHE BBB O   
1779 C CB  . PHE B 29  ? 0.608 0.339 0.535 0.190  0.089  0.117  31  PHE BBB CB  
1780 C CG  . PHE B 29  ? 0.576 0.332 0.511 0.180  0.080  0.097  31  PHE BBB CG  
1781 C CD1 . PHE B 29  ? 0.554 0.357 0.492 0.175  0.062  0.095  31  PHE BBB CD1 
1782 C CD2 . PHE B 29  ? 0.577 0.309 0.514 0.171  0.091  0.079  31  PHE BBB CD2 
1783 C CE1 . PHE B 29  ? 0.532 0.357 0.481 0.166  0.055  0.079  31  PHE BBB CE1 
1784 C CE2 . PHE B 29  ? 0.560 0.316 0.502 0.160  0.082  0.065  31  PHE BBB CE2 
1785 C CZ  . PHE B 29  ? 0.532 0.333 0.482 0.159  0.064  0.066  31  PHE BBB CZ  
1786 N N   . HIS B 30  ? 0.606 0.260 0.506 0.146  0.103  0.085  32  HIS BBB N   
1787 C CA  . HIS B 30  ? 0.600 0.237 0.498 0.121  0.102  0.066  32  HIS BBB CA  
1788 C C   . HIS B 30  ? 0.577 0.217 0.477 0.108  0.096  0.065  32  HIS BBB C   
1789 O O   . HIS B 30  ? 0.568 0.203 0.478 0.087  0.091  0.054  32  HIS BBB O   
1790 C CB  . HIS B 30  ? 0.642 0.234 0.533 0.114  0.120  0.057  32  HIS BBB CB  
1791 C CG  . HIS B 30  ? 0.681 0.234 0.568 0.122  0.139  0.067  32  HIS BBB CG  
1792 N ND1 . HIS B 30  ? 0.699 0.238 0.582 0.110  0.140  0.069  32  HIS BBB ND1 
1793 C CD2 . HIS B 30  ? 0.722 0.245 0.613 0.140  0.160  0.076  32  HIS BBB CD2 
1794 C CE1 . HIS B 30  ? 0.728 0.229 0.608 0.119  0.160  0.079  32  HIS BBB CE1 
1795 N NE2 . HIS B 30  ? 0.751 0.241 0.638 0.138  0.173  0.085  32  HIS BBB NE2 
1796 N N   . SER B 31  ? 0.577 0.228 0.470 0.116  0.097  0.077  33  SER BBB N   
1797 C CA  . SER B 31  ? 0.568 0.228 0.466 0.102  0.096  0.071  33  SER BBB CA  
1798 C C   . SER B 31  ? 0.529 0.229 0.443 0.093  0.084  0.059  33  SER BBB C   
1799 O O   . SER B 31  ? 0.512 0.217 0.440 0.080  0.087  0.050  33  SER BBB O   
1800 C CB  . SER B 31  ? 0.603 0.258 0.480 0.107  0.106  0.085  33  SER BBB CB  
1801 O OG  . SER B 31  ? 0.665 0.279 0.535 0.112  0.121  0.096  33  SER BBB OG  
1802 N N   . TYR B 32  ? 0.513 0.238 0.431 0.101  0.073  0.058  34  TYR BBB N   
1803 C CA  . TYR B 32  ? 0.487 0.249 0.421 0.094  0.063  0.048  34  TYR BBB CA  
1804 C C   . TYR B 32  ? 0.452 0.221 0.411 0.086  0.053  0.040  34  TYR BBB C   
1805 O O   . TYR B 32  ? 0.448 0.209 0.400 0.091  0.051  0.044  34  TYR BBB O   
1806 C CB  . TYR B 32  ? 0.501 0.297 0.420 0.106  0.057  0.055  34  TYR BBB CB  
1807 C CG  . TYR B 32  ? 0.546 0.346 0.440 0.105  0.063  0.064  34  TYR BBB CG  
1808 C CD1 . TYR B 32  ? 0.597 0.373 0.472 0.117  0.070  0.084  34  TYR BBB CD1 
1809 C CD2 . TYR B 32  ? 0.550 0.374 0.439 0.088  0.065  0.050  34  TYR BBB CD2 
1810 C CE1 . TYR B 32  ? 0.629 0.407 0.476 0.114  0.076  0.096  34  TYR BBB CE1 
1811 C CE2 . TYR B 32  ? 0.600 0.429 0.459 0.082  0.073  0.057  34  TYR BBB CE2 
1812 C CZ  . TYR B 32  ? 0.642 0.450 0.478 0.094  0.076  0.083  34  TYR BBB CZ  
1813 O OH  . TYR B 32  ? 0.694 0.507 0.496 0.086  0.083  0.094  34  TYR BBB OH  
1814 N N   . VAL B 33  ? 0.426 0.209 0.416 0.071  0.050  0.030  35  VAL BBB N   
1815 C CA  . VAL B 33  ? 0.400 0.199 0.419 0.063  0.039  0.027  35  VAL BBB CA  
1816 C C   . VAL B 33  ? 0.390 0.222 0.405 0.070  0.034  0.023  35  VAL BBB C   
1817 O O   . VAL B 33  ? 0.389 0.238 0.400 0.070  0.040  0.015  35  VAL BBB O   
1818 C CB  . VAL B 33  ? 0.381 0.183 0.448 0.047  0.039  0.023  35  VAL BBB CB  
1819 C CG1 . VAL B 33  ? 0.360 0.180 0.463 0.039  0.028  0.025  35  VAL BBB CG1 
1820 C CG2 . VAL B 33  ? 0.389 0.164 0.465 0.039  0.042  0.030  35  VAL BBB CG2 
1821 N N   . MET B 34  ? 0.386 0.227 0.399 0.074  0.026  0.026  36  MET BBB N   
1822 C CA  . MET B 34  ? 0.383 0.257 0.396 0.081  0.022  0.023  36  MET BBB CA  
1823 C C   . MET B 34  ? 0.362 0.253 0.409 0.068  0.015  0.018  36  MET BBB C   
1824 O O   . MET B 34  ? 0.357 0.234 0.419 0.057  0.010  0.024  36  MET BBB O   
1825 C CB  . MET B 34  ? 0.402 0.273 0.394 0.096  0.023  0.031  36  MET BBB CB  
1826 C CG  . MET B 34  ? 0.433 0.283 0.400 0.111  0.031  0.041  36  MET BBB CG  
1827 S SD  . MET B 34  ? 0.457 0.331 0.413 0.117  0.030  0.046  36  MET BBB SD  
1828 C CE  . MET B 34  ? 0.445 0.371 0.411 0.122  0.019  0.046  36  MET BBB CE  
1829 N N   . ALA B 35  ? 0.352 0.272 0.412 0.066  0.014  0.009  37  ALA BBB N   
1830 C CA  . ALA B 35  ? 0.329 0.264 0.427 0.053  0.011  0.004  37  ALA BBB CA  
1831 C C   . ALA B 35  ? 0.327 0.297 0.425 0.056  0.008  -0.003 37  ALA BBB C   
1832 O O   . ALA B 35  ? 0.337 0.326 0.411 0.065  0.008  -0.005 37  ALA BBB O   
1833 C CB  . ALA B 35  ? 0.328 0.258 0.463 0.040  0.020  -0.006 37  ALA BBB CB  
1834 N N   . TRP B 36  ? 0.311 0.291 0.439 0.046  0.005  -0.004 38  TRP BBB N   
1835 C CA  . TRP B 36  ? 0.305 0.320 0.446 0.043  0.004  -0.013 38  TRP BBB CA  
1836 C C   . TRP B 36  ? 0.290 0.308 0.478 0.026  0.011  -0.025 38  TRP BBB C   
1837 O O   . TRP B 36  ? 0.278 0.274 0.498 0.019  0.011  -0.015 38  TRP BBB O   
1838 C CB  . TRP B 36  ? 0.306 0.330 0.443 0.047  -0.001 -0.003 38  TRP BBB CB  
1839 C CG  . TRP B 36  ? 0.323 0.346 0.425 0.065  -0.001 0.004  38  TRP BBB CG  
1840 C CD1 . TRP B 36  ? 0.341 0.334 0.420 0.070  0.001  0.014  38  TRP BBB CD1 
1841 C CD2 . TRP B 36  ? 0.333 0.385 0.425 0.078  -0.002 0.003  38  TRP BBB CD2 
1842 N NE1 . TRP B 36  ? 0.352 0.349 0.412 0.088  0.006  0.017  38  TRP BBB NE1 
1843 C CE2 . TRP B 36  ? 0.354 0.388 0.424 0.095  0.002  0.014  38  TRP BBB CE2 
1844 C CE3 . TRP B 36  ? 0.335 0.428 0.439 0.076  -0.007 -0.005 38  TRP BBB CE3 
1845 C CZ2 . TRP B 36  ? 0.365 0.422 0.434 0.113  0.003  0.021  38  TRP BBB CZ2 
1846 C CZ3 . TRP B 36  ? 0.348 0.469 0.444 0.092  -0.011 0.003  38  TRP BBB CZ3 
1847 C CH2 . TRP B 36  ? 0.364 0.468 0.448 0.112  -0.006 0.018  38  TRP BBB CH2 
1848 N N   . PHE B 37  ? 0.422 0.289 0.485 -0.046 0.039  -0.027 39  PHE BBB N   
1849 C CA  . PHE B 37  ? 0.421 0.293 0.478 -0.050 0.049  -0.029 39  PHE BBB CA  
1850 C C   . PHE B 37  ? 0.428 0.313 0.482 -0.051 0.044  -0.041 39  PHE BBB C   
1851 O O   . PHE B 37  ? 0.428 0.321 0.490 -0.045 0.034  -0.052 39  PHE BBB O   
1852 C CB  . PHE B 37  ? 0.434 0.297 0.477 -0.052 0.060  -0.025 39  PHE BBB CB  
1853 C CG  . PHE B 37  ? 0.434 0.296 0.497 -0.057 0.074  -0.023 39  PHE BBB CG  
1854 C CD1 . PHE B 37  ? 0.446 0.296 0.511 -0.063 0.079  -0.013 39  PHE BBB CD1 
1855 C CD2 . PHE B 37  ? 0.424 0.296 0.516 -0.058 0.082  -0.035 39  PHE BBB CD2 
1856 C CE1 . PHE B 37  ? 0.450 0.306 0.550 -0.073 0.097  -0.017 39  PHE BBB CE1 
1857 C CE2 . PHE B 37  ? 0.424 0.305 0.557 -0.063 0.095  -0.044 39  PHE BBB CE2 
1858 C CZ  . PHE B 37  ? 0.437 0.313 0.575 -0.072 0.106  -0.036 39  PHE BBB CZ  
1859 N N   . ARG B 38  ? 0.434 0.320 0.489 -0.058 0.050  -0.044 40  ARG BBB N   
1860 C CA  . ARG B 38  ? 0.447 0.347 0.511 -0.064 0.051  -0.059 40  ARG BBB CA  
1861 C C   . ARG B 38  ? 0.459 0.351 0.524 -0.066 0.051  -0.061 40  ARG BBB C   
1862 O O   . ARG B 38  ? 0.455 0.331 0.516 -0.066 0.052  -0.052 40  ARG BBB O   
1863 C CB  . ARG B 38  ? 0.459 0.368 0.525 -0.081 0.062  -0.063 40  ARG BBB CB  
1864 C CG  . ARG B 38  ? 0.489 0.368 0.530 -0.097 0.066  -0.047 40  ARG BBB CG  
1865 C CD  . ARG B 38  ? 0.521 0.399 0.538 -0.119 0.081  -0.049 40  ARG BBB CD  
1866 N NE  . ARG B 38  ? 0.574 0.403 0.545 -0.133 0.075  -0.026 40  ARG BBB NE  
1867 C CZ  . ARG B 38  ? 0.629 0.436 0.549 -0.159 0.088  -0.019 40  ARG BBB CZ  
1868 N NH1 . ARG B 38  ? 0.639 0.481 0.559 -0.176 0.116  -0.040 40  ARG BBB NH1 
1869 N NH2 . ARG B 38  ? 0.699 0.443 0.564 -0.168 0.070  0.006  40  ARG BBB NH2 
1870 N N   . GLN B 39  ? 0.478 0.383 0.556 -0.064 0.045  -0.079 41  GLN BBB N   
1871 C CA  . GLN B 39  ? 0.500 0.399 0.583 -0.062 0.041  -0.089 41  GLN BBB CA  
1872 C C   . GLN B 39  ? 0.504 0.418 0.622 -0.075 0.042  -0.108 41  GLN BBB C   
1873 O O   . GLN B 39  ? 0.492 0.428 0.633 -0.069 0.032  -0.129 41  GLN BBB O   
1874 C CB  . GLN B 39  ? 0.527 0.421 0.582 -0.045 0.029  -0.095 41  GLN BBB CB  
1875 C CG  . GLN B 39  ? 0.551 0.442 0.606 -0.041 0.026  -0.111 41  GLN BBB CG  
1876 C CD  . GLN B 39  ? 0.599 0.478 0.602 -0.028 0.022  -0.115 41  GLN BBB CD  
1877 O OE1 . GLN B 39  ? 0.646 0.512 0.611 -0.021 0.009  -0.110 41  GLN BBB OE1 
1878 N NE2 . GLN B 39  ? 0.617 0.497 0.614 -0.028 0.033  -0.126 41  GLN BBB NE2 
1879 N N   . ALA B 40  ? 0.525 0.422 0.651 -0.094 0.050  -0.101 42  ALA BBB N   
1880 C CA  . ALA B 40  ? 0.546 0.449 0.709 -0.115 0.056  -0.118 42  ALA BBB CA  
1881 C C   . ALA B 40  ? 0.549 0.454 0.736 -0.101 0.037  -0.139 42  ALA BBB C   
1882 O O   . ALA B 40  ? 0.538 0.431 0.701 -0.081 0.026  -0.137 42  ALA BBB O   
1883 C CB  . ALA B 40  ? 0.591 0.456 0.735 -0.144 0.068  -0.094 42  ALA BBB CB  
1884 N N   . PRO B 41  ? 0.559 0.482 0.795 -0.111 0.035  -0.167 43  PRO BBB N   
1885 C CA  . PRO B 41  ? 0.579 0.501 0.841 -0.097 0.012  -0.193 43  PRO BBB CA  
1886 C C   . PRO B 41  ? 0.594 0.483 0.841 -0.093 0.004  -0.183 43  PRO BBB C   
1887 O O   . PRO B 41  ? 0.613 0.470 0.863 -0.114 0.012  -0.163 43  PRO BBB O   
1888 C CB  . PRO B 41  ? 0.587 0.526 0.919 -0.125 0.021  -0.217 43  PRO BBB CB  
1889 C CG  . PRO B 41  ? 0.573 0.546 0.920 -0.138 0.042  -0.222 43  PRO BBB CG  
1890 C CD  . PRO B 41  ? 0.568 0.520 0.847 -0.136 0.055  -0.183 43  PRO BBB CD  
1891 N N   . GLY B 42  ? 0.612 0.504 0.839 -0.065 -0.012 -0.200 44  GLY BBB N   
1892 C CA  . GLY B 42  ? 0.644 0.518 0.872 -0.056 -0.020 -0.207 44  GLY BBB CA  
1893 C C   . GLY B 42  ? 0.654 0.510 0.860 -0.057 -0.009 -0.181 44  GLY BBB C   
1894 O O   . GLY B 42  ? 0.657 0.500 0.881 -0.048 -0.018 -0.194 44  GLY BBB O   
1895 N N   . LYS B 43  ? 0.664 0.520 0.842 -0.064 0.005  -0.153 45  LYS BBB N   
1896 C CA  . LYS B 43  ? 0.684 0.524 0.848 -0.064 0.010  -0.131 45  LYS BBB CA  
1897 C C   . LYS B 43  ? 0.656 0.518 0.790 -0.048 0.023  -0.133 45  LYS BBB C   
1898 O O   . LYS B 43  ? 0.651 0.529 0.757 -0.042 0.026  -0.140 45  LYS BBB O   
1899 C CB  . LYS B 43  ? 0.720 0.541 0.868 -0.084 0.017  -0.101 45  LYS BBB CB  
1900 C CG  . LYS B 43  ? 0.795 0.574 0.951 -0.109 0.010  -0.088 45  LYS BBB CG  
1901 C CD  . LYS B 43  ? 0.861 0.602 0.977 -0.125 0.011  -0.056 45  LYS BBB CD  
1902 C CE  . LYS B 43  ? 0.943 0.616 1.045 -0.150 -0.005 -0.036 45  LYS BBB CE  
1903 N NZ  . LYS B 43  ? 0.985 0.661 1.114 -0.174 0.008  -0.047 45  LYS BBB NZ  
1904 N N   . GLU B 44  ? 0.654 0.512 0.795 -0.045 0.028  -0.127 46  GLU BBB N   
1905 C CA  . GLU B 44  ? 0.664 0.541 0.783 -0.039 0.047  -0.126 46  GLU BBB CA  
1906 C C   . GLU B 44  ? 0.622 0.494 0.719 -0.047 0.051  -0.097 46  GLU BBB C   
1907 O O   . GLU B 44  ? 0.612 0.470 0.713 -0.056 0.042  -0.083 46  GLU BBB O   
1908 C CB  . GLU B 44  ? 0.694 0.577 0.854 -0.033 0.051  -0.142 46  GLU BBB CB  
1909 C CG  . GLU B 44  ? 0.765 0.661 0.958 -0.024 0.050  -0.182 46  GLU BBB CG  
1910 C CD  . GLU B 44  ? 0.831 0.744 0.978 -0.022 0.066  -0.200 46  GLU BBB CD  
1911 O OE1 . GLU B 44  ? 0.885 0.811 0.986 -0.027 0.093  -0.197 46  GLU BBB OE1 
1912 O OE2 . GLU B 44  ? 0.884 0.792 1.038 -0.017 0.048  -0.216 46  GLU BBB OE2 
1913 N N   . ARG B 45  ? 0.614 0.495 0.682 -0.045 0.066  -0.091 47  ARG BBB N   
1914 C CA  . ARG B 45  ? 0.606 0.484 0.663 -0.049 0.067  -0.070 47  ARG BBB CA  
1915 C C   . ARG B 45  ? 0.585 0.457 0.674 -0.051 0.063  -0.064 47  ARG BBB C   
1916 O O   . ARG B 45  ? 0.633 0.510 0.750 -0.048 0.069  -0.076 47  ARG BBB O   
1917 C CB  . ARG B 45  ? 0.644 0.519 0.665 -0.050 0.081  -0.064 47  ARG BBB CB  
1918 C CG  . ARG B 45  ? 0.700 0.563 0.672 -0.045 0.070  -0.062 47  ARG BBB CG  
1919 C CD  . ARG B 45  ? 0.795 0.637 0.711 -0.052 0.085  -0.052 47  ARG BBB CD  
1920 N NE  . ARG B 45  ? 0.874 0.682 0.733 -0.047 0.062  -0.039 47  ARG BBB NE  
1921 C CZ  . ARG B 45  ? 0.938 0.728 0.751 -0.037 0.039  -0.048 47  ARG BBB CZ  
1922 N NH1 . ARG B 45  ? 0.988 0.796 0.808 -0.032 0.041  -0.072 47  ARG BBB NH1 
1923 N NH2 . ARG B 45  ? 1.006 0.755 0.769 -0.029 0.008  -0.037 47  ARG BBB NH2 
1924 N N   . GLU B 46  ? 0.559 0.419 0.642 -0.056 0.052  -0.051 48  GLU BBB N   
1925 C CA  . GLU B 46  ? 0.559 0.399 0.651 -0.057 0.037  -0.043 48  GLU BBB CA  
1926 C C   . GLU B 46  ? 0.510 0.357 0.596 -0.056 0.040  -0.035 48  GLU BBB C   
1927 O O   . GLU B 46  ? 0.462 0.319 0.530 -0.059 0.046  -0.031 48  GLU BBB O   
1928 C CB  . GLU B 46  ? 0.610 0.422 0.680 -0.070 0.026  -0.033 48  GLU BBB CB  
1929 C CG  . GLU B 46  ? 0.680 0.462 0.721 -0.076 0.012  -0.018 48  GLU BBB CG  
1930 C CD  . GLU B 46  ? 0.750 0.494 0.749 -0.098 0.009  -0.004 48  GLU BBB CD  
1931 O OE1 . GLU B 46  ? 0.852 0.570 0.859 -0.102 -0.002 -0.003 48  GLU BBB OE1 
1932 O OE2 . GLU B 46  ? 0.810 0.549 0.767 -0.115 0.020  0.004  48  GLU BBB OE2 
1933 N N   . PHE B 47  ? 0.394 0.205 0.601 -0.048 0.097  -0.027 49  PHE BBB N   
1934 C CA  . PHE B 47  ? 0.368 0.192 0.547 -0.037 0.083  -0.014 49  PHE BBB CA  
1935 C C   . PHE B 47  ? 0.365 0.205 0.536 -0.029 0.071  0.009  49  PHE BBB C   
1936 O O   . PHE B 47  ? 0.364 0.204 0.563 -0.026 0.071  0.027  49  PHE BBB O   
1937 C CB  . PHE B 47  ? 0.378 0.199 0.582 -0.029 0.085  -0.010 49  PHE BBB CB  
1938 C CG  . PHE B 47  ? 0.362 0.197 0.539 -0.021 0.072  -0.000 49  PHE BBB CG  
1939 C CD1 . PHE B 47  ? 0.369 0.202 0.513 -0.025 0.071  -0.015 49  PHE BBB CD1 
1940 C CD2 . PHE B 47  ? 0.355 0.206 0.538 -0.013 0.060  0.023  49  PHE BBB CD2 
1941 C CE1 . PHE B 47  ? 0.360 0.203 0.484 -0.019 0.062  -0.009 49  PHE BBB CE1 
1942 C CE2 . PHE B 47  ? 0.360 0.224 0.518 -0.009 0.051  0.026  49  PHE BBB CE2 
1943 C CZ  . PHE B 47  ? 0.359 0.218 0.490 -0.012 0.053  0.008  49  PHE BBB CZ  
1944 N N   . VAL B 48  ? 0.352 0.203 0.487 -0.026 0.062  0.010  50  VAL BBB N   
1945 C CA  . VAL B 48  ? 0.362 0.230 0.486 -0.022 0.054  0.026  50  VAL BBB CA  
1946 C C   . VAL B 48  ? 0.358 0.236 0.466 -0.015 0.048  0.030  50  VAL BBB C   
1947 O O   . VAL B 48  ? 0.365 0.256 0.479 -0.014 0.044  0.046  50  VAL BBB O   
1948 C CB  . VAL B 48  ? 0.363 0.240 0.471 -0.025 0.052  0.019  50  VAL BBB CB  
1949 C CG1 . VAL B 48  ? 0.379 0.275 0.478 -0.021 0.050  0.030  50  VAL BBB CG1 
1950 C CG2 . VAL B 48  ? 0.383 0.255 0.507 -0.034 0.058  0.015  50  VAL BBB CG2 
1951 N N   . ALA B 49  ? 0.362 0.236 0.452 -0.014 0.047  0.017  51  ALA BBB N   
1952 C CA  . ALA B 49  ? 0.362 0.244 0.438 -0.010 0.042  0.016  51  ALA BBB CA  
1953 C C   . ALA B 49  ? 0.356 0.225 0.422 -0.011 0.044  0.002  51  ALA BBB C   
1954 O O   . ALA B 49  ? 0.349 0.207 0.408 -0.014 0.046  -0.005 51  ALA BBB O   
1955 C CB  . ALA B 49  ? 0.361 0.258 0.422 -0.009 0.042  0.016  51  ALA BBB CB  
1956 N N   . ALA B 50  ? 0.352 0.223 0.413 -0.010 0.042  -0.000 52  ALA BBB N   
1957 C CA  . ALA B 50  ? 0.349 0.208 0.400 -0.011 0.045  -0.012 52  ALA BBB CA  
1958 C C   . ALA B 50  ? 0.363 0.231 0.405 -0.011 0.043  -0.016 52  ALA BBB C   
1959 O O   . ALA B 50  ? 0.352 0.239 0.397 -0.012 0.039  -0.011 52  ALA BBB O   
1960 C CB  . ALA B 50  ? 0.345 0.195 0.409 -0.015 0.050  -0.017 52  ALA BBB CB  
1961 N N   . ILE B 51  ? 0.364 0.219 0.397 -0.011 0.045  -0.026 53  ILE BBB N   
1962 C CA  . ILE B 51  ? 0.377 0.236 0.404 -0.013 0.047  -0.035 53  ILE BBB CA  
1963 C C   . ILE B 51  ? 0.375 0.215 0.401 -0.017 0.051  -0.042 53  ILE BBB C   
1964 O O   . ILE B 51  ? 0.380 0.202 0.401 -0.017 0.052  -0.039 53  ILE BBB O   
1965 C CB  . ILE B 51  ? 0.397 0.258 0.422 -0.009 0.050  -0.040 53  ILE BBB CB  
1966 C CG1 . ILE B 51  ? 0.416 0.280 0.439 -0.014 0.056  -0.056 53  ILE BBB CG1 
1967 C CG2 . ILE B 51  ? 0.411 0.255 0.440 -0.004 0.050  -0.035 53  ILE BBB CG2 
1968 C CD1 . ILE B 51  ? 0.428 0.303 0.453 -0.013 0.064  -0.065 53  ILE BBB CD1 
1969 N N   . SER B 52  ? 0.375 0.224 0.405 -0.022 0.051  -0.049 54  SER BBB N   
1970 C CA  . SER B 52  ? 0.388 0.223 0.419 -0.028 0.056  -0.057 54  SER BBB CA  
1971 C C   . SER B 52  ? 0.397 0.214 0.423 -0.029 0.062  -0.064 54  SER BBB C   
1972 O O   . SER B 52  ? 0.396 0.215 0.423 -0.024 0.062  -0.067 54  SER BBB O   
1973 C CB  . SER B 52  ? 0.399 0.255 0.441 -0.034 0.054  -0.062 54  SER BBB CB  
1974 O OG  . SER B 52  ? 0.436 0.282 0.486 -0.041 0.060  -0.069 54  SER BBB OG  
1975 N N   . TRP B 53  ? 0.406 0.205 0.433 -0.035 0.067  -0.067 55  TRP BBB N   
1976 C CA  . TRP B 53  ? 0.424 0.198 0.453 -0.036 0.073  -0.069 55  TRP BBB CA  
1977 C C   . TRP B 53  ? 0.444 0.222 0.484 -0.034 0.078  -0.084 55  TRP BBB C   
1978 O O   . TRP B 53  ? 0.456 0.220 0.507 -0.027 0.081  -0.081 55  TRP BBB O   
1979 C CB  . TRP B 53  ? 0.431 0.192 0.461 -0.047 0.079  -0.073 55  TRP BBB CB  
1980 C CG  . TRP B 53  ? 0.407 0.169 0.427 -0.053 0.080  -0.065 55  TRP BBB CG  
1981 C CD1 . TRP B 53  ? 0.424 0.172 0.429 -0.056 0.079  -0.050 55  TRP BBB CD1 
1982 C CD2 . TRP B 53  ? 0.403 0.181 0.430 -0.059 0.083  -0.073 55  TRP BBB CD2 
1983 N NE1 . TRP B 53  ? 0.423 0.178 0.422 -0.065 0.084  -0.053 55  TRP BBB NE1 
1984 C CE2 . TRP B 53  ? 0.408 0.179 0.424 -0.065 0.087  -0.067 55  TRP BBB CE2 
1985 C CE3 . TRP B 53  ? 0.387 0.189 0.431 -0.060 0.081  -0.083 55  TRP BBB CE3 
1986 C CZ2 . TRP B 53  ? 0.395 0.179 0.424 -0.071 0.095  -0.075 55  TRP BBB CZ2 
1987 C CZ3 . TRP B 53  ? 0.372 0.187 0.432 -0.064 0.084  -0.086 55  TRP BBB CZ3 
1988 C CH2 . TRP B 53  ? 0.386 0.191 0.442 -0.069 0.093  -0.084 55  TRP BBB CH2 
1989 N N   . SER B 54  ? 0.446 0.246 0.485 -0.042 0.078  -0.099 56  SER BBB N   
1990 C CA  . SER B 54  ? 0.459 0.267 0.503 -0.048 0.086  -0.121 56  SER BBB CA  
1991 C C   . SER B 54  ? 0.466 0.294 0.503 -0.045 0.086  -0.124 56  SER BBB C   
1992 O O   . SER B 54  ? 0.488 0.325 0.528 -0.052 0.096  -0.146 56  SER BBB O   
1993 C CB  . SER B 54  ? 0.479 0.308 0.519 -0.063 0.085  -0.135 56  SER BBB CB  
1994 O OG  . SER B 54  ? 0.434 0.299 0.464 -0.064 0.072  -0.127 56  SER BBB OG  
1995 N N   . SER B 55  ? 0.440 0.278 0.471 -0.036 0.076  -0.105 57  SER BBB N   
1996 C CA  . SER B 55  ? 0.447 0.309 0.469 -0.034 0.074  -0.103 57  SER BBB CA  
1997 C C   . SER B 55  ? 0.433 0.328 0.442 -0.042 0.063  -0.096 57  SER BBB C   
1998 O O   . SER B 55  ? 0.431 0.346 0.432 -0.042 0.059  -0.088 57  SER BBB O   
1999 C CB  . SER B 55  ? 0.466 0.332 0.493 -0.038 0.088  -0.124 57  SER BBB CB  
2000 O OG  . SER B 55  ? 0.496 0.339 0.545 -0.025 0.094  -0.120 57  SER BBB OG  
2001 N N   . THR B 56  ? 0.435 0.336 0.447 -0.049 0.057  -0.096 58  THR BBB N   
2002 C CA  . THR B 56  ? 0.447 0.382 0.458 -0.056 0.043  -0.083 58  THR BBB CA  
2003 C C   . THR B 56  ? 0.450 0.376 0.479 -0.052 0.039  -0.074 58  THR BBB C   
2004 O O   . THR B 56  ? 0.466 0.373 0.502 -0.054 0.046  -0.085 58  THR BBB O   
2005 C CB  . THR B 56  ? 0.496 0.462 0.493 -0.074 0.041  -0.099 58  THR BBB CB  
2006 O OG1 . THR B 56  ? 0.534 0.537 0.527 -0.079 0.025  -0.078 58  THR BBB OG1 
2007 C CG2 . THR B 56  ? 0.486 0.449 0.493 -0.083 0.043  -0.114 58  THR BBB CG2 
2008 N N   . PRO B 57  ? 0.413 0.354 0.458 -0.047 0.029  -0.054 59  PRO BBB N   
2009 C CA  . PRO B 57  ? 0.413 0.373 0.454 -0.044 0.020  -0.036 59  PRO BBB CA  
2010 C C   . PRO B 57  ? 0.398 0.336 0.433 -0.034 0.027  -0.032 59  PRO BBB C   
2011 O O   . PRO B 57  ? 0.377 0.286 0.412 -0.029 0.036  -0.039 59  PRO BBB O   
2012 C CB  . PRO B 57  ? 0.403 0.376 0.476 -0.040 0.009  -0.015 59  PRO BBB CB  
2013 C CG  . PRO B 57  ? 0.405 0.358 0.499 -0.037 0.018  -0.025 59  PRO BBB CG  
2014 C CD  . PRO B 57  ? 0.412 0.352 0.485 -0.045 0.026  -0.048 59  PRO BBB CD  
2015 N N   . THR B 58  ? 0.389 0.345 0.419 -0.035 0.022  -0.017 60  THR BBB N   
2016 C CA  . THR B 58  ? 0.370 0.312 0.401 -0.027 0.026  -0.008 60  THR BBB CA  
2017 C C   . THR B 58  ? 0.367 0.317 0.422 -0.023 0.017  0.016  60  THR BBB C   
2018 O O   . THR B 58  ? 0.368 0.342 0.434 -0.028 0.006  0.030  60  THR BBB O   
2019 C CB  . THR B 58  ? 0.387 0.341 0.398 -0.031 0.030  -0.012 60  THR BBB CB  
2020 O OG1 . THR B 58  ? 0.395 0.384 0.393 -0.043 0.022  -0.002 60  THR BBB OG1 
2021 C CG2 . THR B 58  ? 0.401 0.343 0.403 -0.031 0.042  -0.036 60  THR BBB CG2 
2022 N N   . TYR B 59  ? 0.353 0.284 0.421 -0.016 0.022  0.020  61  TYR BBB N   
2023 C CA  . TYR B 59  ? 0.352 0.282 0.453 -0.012 0.020  0.039  61  TYR BBB CA  
2024 C C   . TYR B 59  ? 0.355 0.279 0.452 -0.011 0.024  0.046  61  TYR BBB C   
2025 O O   . TYR B 59  ? 0.343 0.256 0.421 -0.011 0.030  0.031  61  TYR BBB O   
2026 C CB  . TYR B 59  ? 0.357 0.265 0.483 -0.008 0.028  0.029  61  TYR BBB CB  
2027 C CG  . TYR B 59  ? 0.355 0.266 0.490 -0.010 0.028  0.019  61  TYR BBB CG  
2028 C CD1 . TYR B 59  ? 0.354 0.282 0.525 -0.009 0.020  0.032  61  TYR BBB CD1 
2029 C CD2 . TYR B 59  ? 0.360 0.256 0.471 -0.013 0.035  -0.001 61  TYR BBB CD2 
2030 C CE1 . TYR B 59  ? 0.357 0.290 0.539 -0.011 0.021  0.021  61  TYR BBB CE1 
2031 C CE2 . TYR B 59  ? 0.349 0.246 0.469 -0.016 0.037  -0.011 61  TYR BBB CE2 
2032 C CZ  . TYR B 59  ? 0.347 0.264 0.502 -0.016 0.031  -0.002 61  TYR BBB CZ  
2033 O OH  . TYR B 59  ? 0.354 0.275 0.522 -0.020 0.034  -0.013 61  TYR BBB OH  
2034 N N   . TYR B 60  ? 0.361 0.294 0.480 -0.011 0.019  0.069  62  TYR BBB N   
2035 C CA  . TYR B 60  ? 0.375 0.304 0.496 -0.013 0.023  0.078  62  TYR BBB CA  
2036 C C   . TYR B 60  ? 0.371 0.287 0.537 -0.009 0.025  0.094  62  TYR BBB C   
2037 O O   . TYR B 60  ? 0.368 0.291 0.566 -0.006 0.017  0.112  62  TYR BBB O   
2038 C CB  . TYR B 60  ? 0.402 0.358 0.497 -0.021 0.017  0.093  62  TYR BBB CB  
2039 C CG  . TYR B 60  ? 0.400 0.366 0.458 -0.025 0.021  0.072  62  TYR BBB CG  
2040 C CD1 . TYR B 60  ? 0.398 0.355 0.444 -0.024 0.031  0.055  62  TYR BBB CD1 
2041 C CD2 . TYR B 60  ? 0.421 0.404 0.461 -0.031 0.015  0.066  62  TYR BBB CD2 
2042 C CE1 . TYR B 60  ? 0.408 0.371 0.432 -0.026 0.037  0.035  62  TYR BBB CE1 
2043 C CE2 . TYR B 60  ? 0.419 0.408 0.432 -0.036 0.023  0.042  62  TYR BBB CE2 
2044 C CZ  . TYR B 60  ? 0.413 0.390 0.421 -0.032 0.035  0.026  62  TYR BBB CZ  
2045 O OH  . TYR B 60  ? 0.437 0.417 0.431 -0.035 0.045  0.003  62  TYR BBB OH  
2046 N N   . GLY B 61  ? 0.383 0.281 0.557 -0.010 0.035  0.086  63  GLY BBB N   
2047 C CA  . GLY B 61  ? 0.403 0.288 0.621 -0.010 0.040  0.100  63  GLY BBB CA  
2048 C C   . GLY B 61  ? 0.430 0.333 0.656 -0.013 0.031  0.136  63  GLY BBB C   
2049 O O   . GLY B 61  ? 0.411 0.336 0.597 -0.019 0.025  0.141  63  GLY BBB O   
2050 N N   . GLU B 62  ? 0.476 0.373 0.754 -0.009 0.029  0.160  64  GLU BBB N   
2051 C CA  . GLU B 62  ? 0.516 0.432 0.806 -0.013 0.016  0.203  64  GLU BBB CA  
2052 C C   . GLU B 62  ? 0.512 0.433 0.773 -0.023 0.020  0.210  64  GLU BBB C   
2053 O O   . GLU B 62  ? 0.548 0.497 0.784 -0.032 0.010  0.236  64  GLU BBB O   
2054 C CB  . GLU B 62  ? 0.588 0.490 0.954 -0.006 0.015  0.229  64  GLU BBB CB  
2055 C CG  . GLU B 62  ? 0.642 0.552 1.040 0.003  0.005  0.236  64  GLU BBB CG  
2056 C CD  . GLU B 62  ? 0.694 0.647 1.064 -0.002 -0.019 0.265  64  GLU BBB CD  
2057 O OE1 . GLU B 62  ? 0.775 0.749 1.126 -0.011 -0.031 0.299  64  GLU BBB OE1 
2058 O OE2 . GLU B 62  ? 0.740 0.706 1.105 0.001  -0.026 0.253  64  GLU BBB OE2 
2059 N N   . SER B 63  ? 0.491 0.390 0.756 -0.025 0.036  0.185  65  SER BBB N   
2060 C CA  . SER B 63  ? 0.502 0.404 0.755 -0.034 0.043  0.191  65  SER BBB CA  
2061 C C   . SER B 63  ? 0.483 0.408 0.678 -0.040 0.043  0.175  65  SER BBB C   
2062 O O   . SER B 63  ? 0.489 0.423 0.674 -0.049 0.049  0.180  65  SER BBB O   
2063 C CB  . SER B 63  ? 0.507 0.380 0.790 -0.036 0.058  0.170  65  SER BBB CB  
2064 O OG  . SER B 63  ? 0.500 0.367 0.761 -0.034 0.064  0.132  65  SER BBB OG  
2065 N N   . VAL B 64  ? 0.456 0.391 0.620 -0.036 0.038  0.156  66  VAL BBB N   
2066 C CA  . VAL B 64  ? 0.457 0.411 0.578 -0.040 0.041  0.137  66  VAL BBB CA  
2067 C C   . VAL B 64  ? 0.489 0.469 0.578 -0.045 0.033  0.142  66  VAL BBB C   
2068 O O   . VAL B 64  ? 0.501 0.498 0.559 -0.050 0.039  0.125  66  VAL BBB O   
2069 C CB  . VAL B 64  ? 0.424 0.363 0.540 -0.033 0.047  0.103  66  VAL BBB CB  
2070 C CG1 . VAL B 64  ? 0.418 0.337 0.559 -0.034 0.054  0.096  66  VAL BBB CG1 
2071 C CG2 . VAL B 64  ? 0.412 0.341 0.527 -0.025 0.042  0.092  66  VAL BBB CG2 
2072 N N   . LYS B 65  ? 0.531 0.517 0.632 -0.044 0.020  0.163  67  LYS BBB N   
2073 C CA  . LYS B 65  ? 0.558 0.575 0.628 -0.052 0.009  0.170  67  LYS BBB CA  
2074 C C   . LYS B 65  ? 0.571 0.619 0.604 -0.070 0.013  0.179  67  LYS BBB C   
2075 O O   . LYS B 65  ? 0.575 0.625 0.617 -0.077 0.014  0.206  67  LYS BBB O   
2076 C CB  . LYS B 65  ? 0.611 0.637 0.709 -0.051 -0.009 0.204  67  LYS BBB CB  
2077 C CG  . LYS B 65  ? 0.613 0.622 0.741 -0.038 -0.012 0.191  67  LYS BBB CG  
2078 C CD  . LYS B 65  ? 0.661 0.687 0.822 -0.037 -0.031 0.225  67  LYS BBB CD  
2079 C CE  . LYS B 65  ? 0.695 0.713 0.881 -0.027 -0.033 0.208  67  LYS BBB CE  
2080 N NZ  . LYS B 65  ? 0.702 0.744 0.926 -0.026 -0.053 0.242  67  LYS BBB NZ  
2081 N N   . GLY B 66  ? 0.553 0.622 0.546 -0.080 0.017  0.156  68  GLY BBB N   
2082 C CA  . GLY B 66  ? 0.571 0.674 0.522 -0.101 0.025  0.156  68  GLY BBB CA  
2083 C C   . GLY B 66  ? 0.548 0.645 0.499 -0.101 0.046  0.135  68  GLY BBB C   
2084 O O   . GLY B 66  ? 0.609 0.735 0.529 -0.119 0.057  0.128  68  GLY BBB O   
2085 N N   . ARG B 67  ? 0.494 0.558 0.478 -0.083 0.051  0.125  69  ARG BBB N   
2086 C CA  . ARG B 67  ? 0.473 0.534 0.466 -0.082 0.068  0.106  69  ARG BBB CA  
2087 C C   . ARG B 67  ? 0.441 0.486 0.445 -0.067 0.074  0.072  69  ARG BBB C   
2088 O O   . ARG B 67  ? 0.438 0.491 0.443 -0.068 0.088  0.051  69  ARG BBB O   
2089 C CB  . ARG B 67  ? 0.468 0.510 0.493 -0.078 0.067  0.126  69  ARG BBB CB  
2090 C CG  . ARG B 67  ? 0.497 0.556 0.517 -0.094 0.065  0.162  69  ARG BBB CG  
2091 C CD  . ARG B 67  ? 0.496 0.538 0.549 -0.094 0.072  0.171  69  ARG BBB CD  
2092 N NE  . ARG B 67  ? 0.480 0.487 0.570 -0.078 0.065  0.170  69  ARG BBB NE  
2093 C CZ  . ARG B 67  ? 0.459 0.447 0.574 -0.071 0.071  0.150  69  ARG BBB CZ  
2094 N NH1 . ARG B 67  ? 0.461 0.460 0.574 -0.075 0.082  0.133  69  ARG BBB NH1 
2095 N NH2 . ARG B 67  ? 0.450 0.410 0.593 -0.062 0.067  0.147  69  ARG BBB NH2 
2096 N N   . PHE B 68  ? 0.423 0.444 0.438 -0.054 0.063  0.069  70  PHE BBB N   
2097 C CA  . PHE B 68  ? 0.405 0.406 0.431 -0.041 0.066  0.044  70  PHE BBB CA  
2098 C C   . PHE B 68  ? 0.412 0.414 0.422 -0.040 0.063  0.030  70  PHE BBB C   
2099 O O   . PHE B 68  ? 0.416 0.425 0.416 -0.045 0.053  0.043  70  PHE BBB O   
2100 C CB  . PHE B 68  ? 0.400 0.375 0.450 -0.031 0.058  0.049  70  PHE BBB CB  
2101 C CG  . PHE B 68  ? 0.405 0.375 0.476 -0.032 0.061  0.055  70  PHE BBB CG  
2102 C CD1 . PHE B 68  ? 0.416 0.403 0.488 -0.042 0.069  0.065  70  PHE BBB CD1 
2103 C CD2 . PHE B 68  ? 0.404 0.352 0.492 -0.028 0.058  0.050  70  PHE BBB CD2 
2104 C CE1 . PHE B 68  ? 0.417 0.400 0.510 -0.044 0.072  0.069  70  PHE BBB CE1 
2105 C CE2 . PHE B 68  ? 0.407 0.353 0.514 -0.032 0.061  0.052  70  PHE BBB CE2 
2106 C CZ  . PHE B 68  ? 0.407 0.370 0.519 -0.040 0.068  0.062  70  PHE BBB CZ  
2107 N N   . THR B 69  ? 0.392 0.389 0.406 -0.035 0.071  0.005  71  THR BBB N   
2108 C CA  . THR B 69  ? 0.393 0.386 0.397 -0.034 0.072  -0.012 71  THR BBB CA  
2109 C C   . THR B 69  ? 0.370 0.335 0.394 -0.020 0.071  -0.022 71  THR BBB C   
2110 O O   . THR B 69  ? 0.371 0.334 0.414 -0.013 0.077  -0.029 71  THR BBB O   
2111 C CB  . THR B 69  ? 0.415 0.430 0.403 -0.046 0.087  -0.033 71  THR BBB CB  
2112 O OG1 . THR B 69  ? 0.436 0.481 0.399 -0.064 0.086  -0.019 71  THR BBB OG1 
2113 C CG2 . THR B 69  ? 0.434 0.445 0.412 -0.049 0.089  -0.053 71  THR BBB CG2 
2114 N N   . ILE B 70  ? 0.376 0.318 0.394 -0.005 0.049  -0.026 72  ILE BBB N   
2115 C CA  . ILE B 70  ? 0.381 0.299 0.403 0.003  0.046  -0.030 72  ILE BBB CA  
2116 C C   . ILE B 70  ? 0.395 0.302 0.411 0.004  0.056  -0.046 72  ILE BBB C   
2117 O O   . ILE B 70  ? 0.397 0.313 0.400 -0.005 0.060  -0.054 72  ILE BBB O   
2118 C CB  . ILE B 70  ? 0.377 0.279 0.393 0.001  0.035  -0.022 72  ILE BBB CB  
2119 C CG1 . ILE B 70  ? 0.381 0.264 0.401 0.010  0.032  -0.022 72  ILE BBB CG1 
2120 C CG2 . ILE B 70  ? 0.389 0.289 0.388 -0.006 0.035  -0.024 72  ILE BBB CG2 
2121 C CD1 . ILE B 70  ? 0.371 0.245 0.388 0.008  0.021  -0.015 72  ILE BBB CD1 
2122 N N   . SER B 71  ? 0.405 0.297 0.432 0.014  0.062  -0.049 73  SER BBB N   
2123 C CA  . SER B 71  ? 0.431 0.305 0.459 0.016  0.075  -0.065 73  SER BBB CA  
2124 C C   . SER B 71  ? 0.450 0.297 0.487 0.030  0.076  -0.057 73  SER BBB C   
2125 O O   . SER B 71  ? 0.430 0.282 0.473 0.039  0.066  -0.042 73  SER BBB O   
2126 C CB  . SER B 71  ? 0.433 0.323 0.470 0.017  0.088  -0.078 73  SER BBB CB  
2127 O OG  . SER B 71  ? 0.427 0.323 0.481 0.031  0.088  -0.070 73  SER BBB OG  
2128 N N   . ARG B 72  ? 0.480 0.300 0.518 0.031  0.088  -0.067 74  ARG BBB N   
2129 C CA  . ARG B 72  ? 0.493 0.285 0.540 0.046  0.092  -0.055 74  ARG BBB CA  
2130 C C   . ARG B 72  ? 0.526 0.293 0.586 0.051  0.115  -0.069 74  ARG BBB C   
2131 O O   . ARG B 72  ? 0.530 0.297 0.587 0.037  0.126  -0.092 74  ARG BBB O   
2132 C CB  . ARG B 72  ? 0.488 0.262 0.522 0.041  0.085  -0.048 74  ARG BBB CB  
2133 C CG  . ARG B 72  ? 0.499 0.259 0.523 0.024  0.095  -0.066 74  ARG BBB CG  
2134 C CD  . ARG B 72  ? 0.489 0.240 0.500 0.017  0.086  -0.059 74  ARG BBB CD  
2135 N NE  . ARG B 72  ? 0.497 0.222 0.513 0.030  0.089  -0.043 74  ARG BBB NE  
2136 C CZ  . ARG B 72  ? 0.488 0.211 0.495 0.030  0.078  -0.030 74  ARG BBB CZ  
2137 N NH1 . ARG B 72  ? 0.479 0.221 0.473 0.019  0.064  -0.031 74  ARG BBB NH1 
2138 N NH2 . ARG B 72  ? 0.490 0.193 0.499 0.043  0.083  -0.014 74  ARG BBB NH2 
2139 N N   . ASP B 73  ? 0.541 0.292 0.617 0.072  0.122  -0.056 75  ASP BBB N   
2140 C CA  . ASP B 73  ? 0.588 0.306 0.682 0.082  0.146  -0.064 75  ASP BBB CA  
2141 C C   . ASP B 73  ? 0.609 0.293 0.704 0.092  0.150  -0.045 75  ASP BBB C   
2142 O O   . ASP B 73  ? 0.593 0.281 0.694 0.113  0.144  -0.019 75  ASP BBB O   
2143 C CB  . ASP B 73  ? 0.596 0.328 0.711 0.101  0.152  -0.060 75  ASP BBB CB  
2144 C CG  . ASP B 73  ? 0.632 0.330 0.768 0.109  0.181  -0.074 75  ASP BBB CG  
2145 O OD1 . ASP B 73  ? 0.665 0.322 0.802 0.105  0.195  -0.077 75  ASP BBB OD1 
2146 O OD2 . ASP B 73  ? 0.649 0.361 0.802 0.118  0.190  -0.083 75  ASP BBB OD2 
2147 N N   . ASN B 74  ? 0.636 0.291 0.724 0.076  0.161  -0.058 76  ASN BBB N   
2148 C CA  . ASN B 74  ? 0.686 0.307 0.771 0.080  0.166  -0.042 76  ASN BBB CA  
2149 C C   . ASN B 74  ? 0.728 0.314 0.836 0.103  0.188  -0.027 76  ASN BBB C   
2150 O O   . ASN B 74  ? 0.780 0.345 0.887 0.115  0.191  -0.003 76  ASN BBB O   
2151 C CB  . ASN B 74  ? 0.692 0.298 0.767 0.054  0.173  -0.063 76  ASN BBB CB  
2152 C CG  . ASN B 74  ? 0.673 0.313 0.724 0.038  0.149  -0.065 76  ASN BBB CG  
2153 O OD1 . ASN B 74  ? 0.630 0.295 0.674 0.047  0.129  -0.047 76  ASN BBB OD1 
2154 N ND2 . ASN B 74  ? 0.689 0.330 0.731 0.016  0.152  -0.086 76  ASN BBB ND2 
2155 N N   . ALA B 75  ? 0.735 0.318 0.864 0.112  0.204  -0.039 77  ALA BBB N   
2156 C CA  . ALA B 75  ? 0.792 0.343 0.947 0.139  0.226  -0.025 77  ALA BBB CA  
2157 C C   . ALA B 75  ? 0.784 0.367 0.945 0.168  0.211  0.006  77  ALA BBB C   
2158 O O   . ALA B 75  ? 0.815 0.377 0.995 0.195  0.225  0.030  77  ALA BBB O   
2159 C CB  . ALA B 75  ? 0.807 0.341 0.984 0.134  0.251  -0.056 77  ALA BBB CB  
2160 N N   . LYS B 76  ? 0.730 0.364 0.878 0.163  0.185  0.006  78  LYS BBB N   
2161 C CA  . LYS B 76  ? 0.719 0.395 0.874 0.186  0.168  0.029  78  LYS BBB CA  
2162 C C   . LYS B 76  ? 0.675 0.378 0.809 0.184  0.143  0.048  78  LYS BBB C   
2163 O O   . LYS B 76  ? 0.660 0.406 0.798 0.198  0.127  0.063  78  LYS BBB O   
2164 C CB  . LYS B 76  ? 0.712 0.428 0.870 0.178  0.159  0.010  78  LYS BBB CB  
2165 C CG  . LYS B 76  ? 0.757 0.458 0.933 0.175  0.182  -0.016 78  LYS BBB CG  
2166 C CD  . LYS B 76  ? 0.793 0.483 0.998 0.204  0.200  -0.006 78  LYS BBB CD  
2167 C CE  . LYS B 76  ? 0.832 0.509 1.055 0.199  0.224  -0.037 78  LYS BBB CE  
2168 N NZ  . LYS B 76  ? 0.889 0.523 1.142 0.224  0.253  -0.030 78  LYS BBB NZ  
2169 N N   . ASN B 77  ? 0.645 0.330 0.759 0.165  0.139  0.045  79  ASN BBB N   
2170 C CA  . ASN B 77  ? 0.634 0.345 0.728 0.160  0.116  0.059  79  ASN BBB CA  
2171 C C   . ASN B 77  ? 0.582 0.342 0.672 0.153  0.094  0.051  79  ASN BBB C   
2172 O O   . ASN B 77  ? 0.550 0.343 0.634 0.158  0.076  0.065  79  ASN BBB O   
2173 C CB  . ASN B 77  ? 0.656 0.366 0.753 0.186  0.117  0.092  79  ASN BBB CB  
2174 C CG  . ASN B 77  ? 0.718 0.374 0.814 0.187  0.139  0.099  79  ASN BBB CG  
2175 O OD1 . ASN B 77  ? 0.718 0.336 0.823 0.177  0.159  0.080  79  ASN BBB OD1 
2176 N ND2 . ASN B 77  ? 0.757 0.413 0.842 0.197  0.135  0.125  79  ASN BBB ND2 
2177 N N   . THR B 78  ? 0.571 0.339 0.665 0.139  0.096  0.029  80  THR BBB N   
2178 C CA  . THR B 78  ? 0.535 0.346 0.629 0.131  0.080  0.022  80  THR BBB CA  
2179 C C   . THR B 78  ? 0.502 0.314 0.581 0.105  0.074  0.004  80  THR BBB C   
2180 O O   . THR B 78  ? 0.511 0.299 0.586 0.094  0.087  -0.012 80  THR BBB O   
2181 C CB  . THR B 78  ? 0.547 0.373 0.662 0.143  0.089  0.017  80  THR BBB CB  
2182 O OG1 . THR B 78  ? 0.557 0.384 0.687 0.171  0.094  0.038  80  THR BBB OG1 
2183 C CG2 . THR B 78  ? 0.535 0.406 0.655 0.136  0.076  0.010  80  THR BBB CG2 
2184 N N   . VAL B 79  ? 0.474 0.314 0.546 0.095  0.057  0.006  81  VAL BBB N   
2185 C CA  . VAL B 79  ? 0.440 0.288 0.501 0.074  0.051  -0.007 81  VAL BBB CA  
2186 C C   . VAL B 79  ? 0.431 0.313 0.505 0.073  0.047  -0.010 81  VAL BBB C   
2187 O O   . VAL B 79  ? 0.435 0.342 0.522 0.083  0.040  -0.002 81  VAL BBB O   
2188 C CB  . VAL B 79  ? 0.420 0.267 0.466 0.063  0.038  -0.003 81  VAL BBB CB  
2189 C CG1 . VAL B 79  ? 0.398 0.271 0.449 0.068  0.024  0.007  81  VAL BBB CG1 
2190 C CG2 . VAL B 79  ? 0.407 0.258 0.443 0.045  0.036  -0.013 81  VAL BBB CG2 
2191 N N   . TYR B 80  ? 0.436 0.324 0.507 0.060  0.053  -0.022 82  TYR BBB N   
2192 C CA  . TYR B 80  ? 0.423 0.343 0.506 0.057  0.052  -0.024 82  TYR BBB CA  
2193 C C   . TYR B 80  ? 0.406 0.335 0.479 0.039  0.045  -0.024 82  TYR BBB C   
2194 O O   . TYR B 80  ? 0.409 0.323 0.466 0.030  0.045  -0.026 82  TYR BBB O   
2195 C CB  . TYR B 80  ? 0.459 0.380 0.548 0.059  0.068  -0.036 82  TYR BBB CB  
2196 C CG  . TYR B 80  ? 0.487 0.393 0.589 0.078  0.079  -0.037 82  TYR BBB CG  
2197 C CD1 . TYR B 80  ? 0.493 0.419 0.616 0.095  0.079  -0.030 82  TYR BBB CD1 
2198 C CD2 . TYR B 80  ? 0.525 0.397 0.621 0.079  0.091  -0.044 82  TYR BBB CD2 
2199 C CE1 . TYR B 80  ? 0.520 0.432 0.658 0.116  0.091  -0.028 82  TYR BBB CE1 
2200 C CE2 . TYR B 80  ? 0.546 0.398 0.658 0.098  0.105  -0.043 82  TYR BBB CE2 
2201 C CZ  . TYR B 80  ? 0.554 0.426 0.687 0.117  0.105  -0.033 82  TYR BBB CZ  
2202 O OH  . TYR B 80  ? 0.603 0.455 0.754 0.139  0.120  -0.028 82  TYR BBB OH  
2203 N N   . LEU B 81  ? 0.394 0.349 0.480 0.035  0.042  -0.021 83  LEU BBB N   
2204 C CA  . LEU B 81  ? 0.388 0.353 0.470 0.020  0.041  -0.019 83  LEU BBB CA  
2205 C C   . LEU B 81  ? 0.393 0.384 0.488 0.017  0.049  -0.022 83  LEU BBB C   
2206 O O   . LEU B 81  ? 0.409 0.421 0.524 0.020  0.048  -0.021 83  LEU BBB O   
2207 C CB  . LEU B 81  ? 0.370 0.337 0.457 0.013  0.030  -0.013 83  LEU BBB CB  
2208 C CG  . LEU B 81  ? 0.377 0.345 0.463 -0.001 0.032  -0.008 83  LEU BBB CG  
2209 C CD1 . LEU B 81  ? 0.375 0.323 0.439 -0.004 0.032  -0.005 83  LEU BBB CD1 
2210 C CD2 . LEU B 81  ? 0.380 0.351 0.479 -0.008 0.025  -0.007 83  LEU BBB CD2 
2211 N N   . GLN B 82  ? 0.397 0.391 0.482 0.012  0.059  -0.026 84  GLN BBB N   
2212 C CA  . GLN B 82  ? 0.404 0.425 0.496 0.007  0.069  -0.027 84  GLN BBB CA  
2213 C C   . GLN B 82  ? 0.404 0.432 0.496 -0.006 0.067  -0.015 84  GLN BBB C   
2214 O O   . GLN B 82  ? 0.407 0.423 0.483 -0.011 0.064  -0.008 84  GLN BBB O   
2215 C CB  . GLN B 82  ? 0.425 0.451 0.503 0.006  0.079  -0.037 84  GLN BBB CB  
2216 C CG  . GLN B 82  ? 0.443 0.500 0.527 0.002  0.091  -0.039 84  GLN BBB CG  
2217 C CD  . GLN B 82  ? 0.465 0.537 0.573 0.011  0.095  -0.046 84  GLN BBB CD  
2218 O OE1 . GLN B 82  ? 0.500 0.560 0.618 0.025  0.094  -0.052 84  GLN BBB OE1 
2219 N NE2 . GLN B 82  ? 0.472 0.573 0.591 0.005  0.102  -0.043 84  GLN BBB NE2 
2220 N N   . MET B 83  ? 0.398 0.445 0.511 -0.010 0.068  -0.012 85  MET BBB N   
2221 C CA  . MET B 83  ? 0.419 0.469 0.540 -0.023 0.071  -0.001 85  MET BBB CA  
2222 C C   . MET B 83  ? 0.410 0.488 0.540 -0.030 0.084  0.003  85  MET BBB C   
2223 O O   . MET B 83  ? 0.408 0.508 0.559 -0.029 0.087  -0.004 85  MET BBB O   
2224 C CB  . MET B 83  ? 0.430 0.482 0.573 -0.027 0.063  -0.003 85  MET BBB CB  
2225 C CG  . MET B 83  ? 0.450 0.481 0.585 -0.020 0.050  -0.007 85  MET BBB CG  
2226 S SD  . MET B 83  ? 0.494 0.535 0.652 -0.026 0.042  -0.013 85  MET BBB SD  
2227 C CE  . MET B 83  ? 0.482 0.562 0.660 -0.016 0.041  -0.022 85  MET BBB CE  
2228 N N   . ASN B 84  ? 0.427 0.507 0.540 -0.035 0.092  0.014  86  ASN BBB N   
2229 C CA  . ASN B 84  ? 0.446 0.555 0.564 -0.042 0.106  0.021  86  ASN BBB CA  
2230 C C   . ASN B 84  ? 0.459 0.563 0.586 -0.054 0.113  0.041  86  ASN BBB C   
2231 O O   . ASN B 84  ? 0.469 0.546 0.593 -0.055 0.107  0.049  86  ASN BBB O   
2232 C CB  . ASN B 84  ? 0.464 0.588 0.557 -0.039 0.112  0.020  86  ASN BBB CB  
2233 C CG  . ASN B 84  ? 0.468 0.592 0.555 -0.029 0.109  -0.002 86  ASN BBB CG  
2234 O OD1 . ASN B 84  ? 0.458 0.585 0.563 -0.022 0.109  -0.014 86  ASN BBB OD1 
2235 N ND2 . ASN B 84  ? 0.475 0.597 0.538 -0.027 0.108  -0.007 86  ASN BBB ND2 
2236 N N   . ARG B 85  ? 0.479 0.606 0.616 -0.062 0.127  0.048  87  ARG BBB N   
2237 C CA  . ARG B 85  ? 0.510 0.633 0.659 -0.074 0.140  0.070  87  ARG BBB CA  
2238 C C   . ARG B 85  ? 0.499 0.593 0.669 -0.081 0.135  0.069  87  ARG BBB C   
2239 O O   . ARG B 85  ? 0.519 0.587 0.686 -0.083 0.137  0.086  87  ARG BBB O   
2240 C CB  . ARG B 85  ? 0.550 0.674 0.672 -0.071 0.145  0.093  87  ARG BBB CB  
2241 C CG  . ARG B 85  ? 0.576 0.738 0.678 -0.067 0.152  0.091  87  ARG BBB CG  
2242 C CD  . ARG B 85  ? 0.624 0.800 0.701 -0.065 0.159  0.117  87  ARG BBB CD  
2243 N NE  . ARG B 85  ? 0.644 0.803 0.703 -0.057 0.146  0.120  87  ARG BBB NE  
2244 C CZ  . ARG B 85  ? 0.668 0.831 0.708 -0.050 0.135  0.100  87  ARG BBB CZ  
2245 N NH1 . ARG B 85  ? 0.658 0.839 0.696 -0.049 0.135  0.075  87  ARG BBB NH1 
2246 N NH2 . ARG B 85  ? 0.696 0.843 0.720 -0.044 0.125  0.104  87  ARG BBB NH2 
2247 N N   . LEU B 86  ? 0.468 0.568 0.660 -0.083 0.129  0.049  88  LEU BBB N   
2248 C CA  . LEU B 86  ? 0.465 0.546 0.677 -0.090 0.122  0.040  88  LEU BBB CA  
2249 C C   . LEU B 86  ? 0.487 0.561 0.727 -0.109 0.139  0.050  88  LEU BBB C   
2250 O O   . LEU B 86  ? 0.482 0.578 0.734 -0.117 0.154  0.055  88  LEU BBB O   
2251 C CB  . LEU B 86  ? 0.443 0.546 0.670 -0.086 0.111  0.016  88  LEU BBB CB  
2252 C CG  . LEU B 86  ? 0.421 0.516 0.626 -0.068 0.094  0.008  88  LEU BBB CG  
2253 C CD1 . LEU B 86  ? 0.398 0.523 0.616 -0.059 0.087  -0.008 88  LEU BBB CD1 
2254 C CD2 . LEU B 86  ? 0.422 0.488 0.622 -0.068 0.083  0.007  88  LEU BBB CD2 
2255 N N   . LYS B 87  ? 0.514 0.557 0.763 -0.115 0.140  0.052  89  LYS BBB N   
2256 C CA  . LYS B 87  ? 0.551 0.578 0.831 -0.134 0.158  0.058  89  LYS BBB CA  
2257 C C   . LYS B 87  ? 0.527 0.557 0.836 -0.145 0.151  0.030  89  LYS BBB C   
2258 O O   . LYS B 87  ? 0.486 0.521 0.784 -0.136 0.132  0.014  89  LYS BBB O   
2259 C CB  . LYS B 87  ? 0.600 0.587 0.875 -0.132 0.167  0.082  89  LYS BBB CB  
2260 C CG  . LYS B 87  ? 0.626 0.604 0.862 -0.113 0.158  0.101  89  LYS BBB CG  
2261 C CD  . LYS B 87  ? 0.669 0.608 0.906 -0.110 0.160  0.115  89  LYS BBB CD  
2262 C CE  . LYS B 87  ? 0.679 0.616 0.881 -0.092 0.153  0.136  89  LYS BBB CE  
2263 N NZ  . LYS B 87  ? 0.699 0.660 0.885 -0.088 0.164  0.161  89  LYS BBB NZ  
2264 N N   . PRO B 88  ? 0.542 0.571 0.888 -0.167 0.168  0.023  90  PRO BBB N   
2265 C CA  . PRO B 88  ? 0.536 0.566 0.910 -0.181 0.165  -0.006 90  PRO BBB CA  
2266 C C   . PRO B 88  ? 0.526 0.526 0.887 -0.174 0.153  -0.010 90  PRO BBB C   
2267 O O   . PRO B 88  ? 0.497 0.515 0.864 -0.175 0.138  -0.036 90  PRO BBB O   
2268 C CB  . PRO B 88  ? 0.568 0.584 0.980 -0.206 0.193  -0.003 90  PRO BBB CB  
2269 C CG  . PRO B 88  ? 0.576 0.609 0.983 -0.205 0.206  0.018  90  PRO BBB CG  
2270 C CD  . PRO B 88  ? 0.564 0.593 0.926 -0.180 0.193  0.041  90  PRO BBB CD  
2271 N N   . GLU B 89  ? 0.558 0.518 0.902 -0.165 0.158  0.015  91  GLU BBB N   
2272 C CA  . GLU B 89  ? 0.577 0.506 0.910 -0.157 0.149  0.013  91  GLU BBB CA  
2273 C C   . GLU B 89  ? 0.524 0.471 0.825 -0.139 0.123  0.003  91  GLU BBB C   
2274 O O   . GLU B 89  ? 0.527 0.457 0.822 -0.135 0.113  -0.006 91  GLU BBB O   
2275 C CB  . GLU B 89  ? 0.632 0.522 0.951 -0.147 0.161  0.046  91  GLU BBB CB  
2276 C CG  . GLU B 89  ? 0.696 0.557 1.048 -0.162 0.189  0.060  91  GLU BBB CG  
2277 C CD  . GLU B 89  ? 0.747 0.624 1.107 -0.169 0.207  0.080  91  GLU BBB CD  
2278 O OE1 . GLU B 89  ? 0.738 0.640 1.068 -0.156 0.198  0.093  91  GLU BBB OE1 
2279 O OE2 . GLU B 89  ? 0.827 0.688 1.222 -0.188 0.231  0.080  91  GLU BBB OE2 
2280 N N   . ASP B 90  ? 0.497 0.475 0.782 -0.129 0.114  0.004  92  ASP BBB N   
2281 C CA  . ASP B 90  ? 0.460 0.452 0.719 -0.112 0.092  -0.004 92  ASP BBB CA  
2282 C C   . ASP B 90  ? 0.436 0.460 0.711 -0.116 0.081  -0.031 92  ASP BBB C   
2283 O O   . ASP B 90  ? 0.416 0.449 0.673 -0.102 0.064  -0.037 92  ASP BBB O   
2284 C CB  . ASP B 90  ? 0.454 0.461 0.690 -0.099 0.090  0.008  92  ASP BBB CB  
2285 C CG  . ASP B 90  ? 0.475 0.460 0.689 -0.093 0.098  0.033  92  ASP BBB CG  
2286 O OD1 . ASP B 90  ? 0.473 0.432 0.674 -0.087 0.093  0.040  92  ASP BBB OD1 
2287 O OD2 . ASP B 90  ? 0.482 0.482 0.692 -0.092 0.108  0.045  92  ASP BBB OD2 
2288 N N   . THR B 91  ? 0.444 0.489 0.753 -0.135 0.090  -0.047 93  THR BBB N   
2289 C CA  . THR B 91  ? 0.432 0.518 0.760 -0.141 0.079  -0.075 93  THR BBB CA  
2290 C C   . THR B 91  ? 0.433 0.507 0.751 -0.137 0.067  -0.086 93  THR BBB C   
2291 O O   . THR B 91  ? 0.452 0.490 0.776 -0.147 0.076  -0.085 93  THR BBB O   
2292 C CB  . THR B 91  ? 0.443 0.548 0.812 -0.166 0.094  -0.092 93  THR BBB CB  
2293 O OG1 . THR B 91  ? 0.434 0.554 0.810 -0.168 0.106  -0.080 93  THR BBB OG1 
2294 C CG2 . THR B 91  ? 0.431 0.588 0.821 -0.174 0.083  -0.123 93  THR BBB CG2 
2295 N N   . ALA B 92  ? 0.420 0.523 0.724 -0.123 0.048  -0.094 94  ALA BBB N   
2296 C CA  . ALA B 92  ? 0.413 0.512 0.704 -0.118 0.035  -0.103 94  ALA BBB CA  
2297 C C   . ALA B 92  ? 0.406 0.540 0.680 -0.098 0.017  -0.104 94  ALA BBB C   
2298 O O   . ALA B 92  ? 0.396 0.548 0.666 -0.085 0.015  -0.094 94  ALA BBB O   
2299 C CB  . ALA B 92  ? 0.412 0.457 0.679 -0.111 0.037  -0.086 94  ALA BBB CB  
2300 N N   . VAL B 93  ? 0.400 0.545 0.666 -0.095 0.005  -0.114 95  VAL BBB N   
2301 C CA  . VAL B 93  ? 0.397 0.564 0.641 -0.072 -0.011 -0.108 95  VAL BBB CA  
2302 C C   . VAL B 93  ? 0.380 0.497 0.591 -0.057 -0.012 -0.086 95  VAL BBB C   
2303 O O   . VAL B 93  ? 0.377 0.457 0.580 -0.064 -0.009 -0.085 95  VAL BBB O   
2304 C CB  . VAL B 93  ? 0.407 0.607 0.652 -0.076 -0.022 -0.126 95  VAL BBB CB  
2305 C CG1 . VAL B 93  ? 0.407 0.625 0.628 -0.052 -0.037 -0.114 95  VAL BBB CG1 
2306 C CG2 . VAL B 93  ? 0.422 0.679 0.700 -0.094 -0.022 -0.153 95  VAL BBB CG2 
2307 N N   . TYR B 94  ? 0.366 0.483 0.563 -0.039 -0.014 -0.070 96  TYR BBB N   
2308 C CA  . TYR B 94  ? 0.360 0.436 0.531 -0.026 -0.013 -0.053 96  TYR BBB CA  
2309 C C   . TYR B 94  ? 0.363 0.445 0.515 -0.009 -0.024 -0.048 96  TYR BBB C   
2310 O O   . TYR B 94  ? 0.375 0.492 0.533 0.004  -0.030 -0.046 96  TYR BBB O   
2311 C CB  . TYR B 94  ? 0.356 0.422 0.524 -0.019 -0.005 -0.042 96  TYR BBB CB  
2312 C CG  . TYR B 94  ? 0.356 0.405 0.532 -0.034 0.007  -0.040 96  TYR BBB CG  
2313 C CD1 . TYR B 94  ? 0.358 0.428 0.561 -0.050 0.014  -0.050 96  TYR BBB CD1 
2314 C CD2 . TYR B 94  ? 0.357 0.373 0.515 -0.033 0.014  -0.028 96  TYR BBB CD2 
2315 C CE1 . TYR B 94  ? 0.363 0.415 0.574 -0.063 0.028  -0.044 96  TYR BBB CE1 
2316 C CE2 . TYR B 94  ? 0.371 0.374 0.535 -0.045 0.025  -0.021 96  TYR BBB CE2 
2317 C CZ  . TYR B 94  ? 0.367 0.386 0.558 -0.059 0.033  -0.028 96  TYR BBB CZ  
2318 O OH  . TYR B 94  ? 0.386 0.392 0.583 -0.069 0.047  -0.017 96  TYR BBB OH  
2319 N N   . PHE B 95  ? 0.368 0.419 0.501 -0.009 -0.026 -0.044 97  PHE BBB N   
2320 C CA  . PHE B 95  ? 0.373 0.425 0.488 0.005  -0.035 -0.038 97  PHE BBB CA  
2321 C C   . PHE B 95  ? 0.379 0.391 0.473 0.015  -0.030 -0.023 97  PHE BBB C   
2322 O O   . PHE B 95  ? 0.380 0.360 0.466 0.007  -0.024 -0.022 97  PHE BBB O   
2323 C CB  . PHE B 95  ? 0.377 0.426 0.486 -0.004 -0.040 -0.048 97  PHE BBB CB  
2324 C CG  . PHE B 95  ? 0.390 0.482 0.520 -0.016 -0.044 -0.067 97  PHE BBB CG  
2325 C CD1 . PHE B 95  ? 0.405 0.544 0.534 -0.008 -0.054 -0.071 97  PHE BBB CD1 
2326 C CD2 . PHE B 95  ? 0.402 0.487 0.551 -0.037 -0.037 -0.082 97  PHE BBB CD2 
2327 C CE1 . PHE B 95  ? 0.417 0.603 0.565 -0.021 -0.059 -0.093 97  PHE BBB CE1 
2328 C CE2 . PHE B 95  ? 0.410 0.534 0.581 -0.051 -0.039 -0.105 97  PHE BBB CE2 
2329 C CZ  . PHE B 95  ? 0.413 0.590 0.583 -0.044 -0.050 -0.113 97  PHE BBB CZ  
2330 N N   . CYS B 96  ? 0.367 0.384 0.453 0.033  -0.031 -0.013 98  CYS BBB N   
2331 C CA  . CYS B 96  ? 0.389 0.372 0.457 0.043  -0.027 -0.002 98  CYS BBB CA  
2332 C C   . CYS B 96  ? 0.387 0.360 0.438 0.042  -0.032 -0.000 98  CYS BBB C   
2333 O O   . CYS B 96  ? 0.375 0.380 0.428 0.044  -0.041 -0.003 98  CYS BBB O   
2334 C CB  . CYS B 96  ? 0.402 0.394 0.472 0.064  -0.024 0.010  98  CYS BBB CB  
2335 S SG  . CYS B 96  ? 0.479 0.423 0.532 0.074  -0.012 0.021  98  CYS BBB SG  
2336 N N   . ALA B 97  ? 0.387 0.324 0.423 0.037  -0.027 0.002  99  ALA BBB N   
2337 C CA  . ALA B 97  ? 0.382 0.308 0.403 0.036  -0.031 0.004  99  ALA BBB CA  
2338 C C   . ALA B 97  ? 0.390 0.282 0.397 0.042  -0.022 0.012  99  ALA BBB C   
2339 O O   . ALA B 97  ? 0.391 0.267 0.401 0.041  -0.014 0.011  99  ALA BBB O   
2340 C CB  . ALA B 97  ? 0.387 0.308 0.408 0.021  -0.033 -0.008 99  ALA BBB CB  
2341 N N   . ALA B 98  ? 0.392 0.278 0.387 0.046  -0.023 0.019  100 ALA BBB N   
2342 C CA  . ALA B 98  ? 0.398 0.251 0.381 0.049  -0.012 0.026  100 ALA BBB CA  
2343 C C   . ALA B 98  ? 0.395 0.241 0.364 0.043  -0.015 0.026  100 ALA BBB C   
2344 O O   . ALA B 98  ? 0.408 0.279 0.375 0.044  -0.023 0.026  100 ALA BBB O   
2345 C CB  . ALA B 98  ? 0.406 0.256 0.392 0.067  -0.005 0.041  100 ALA BBB CB  
2346 N N   . ASP B 99  ? 0.417 0.235 0.379 0.037  -0.006 0.024  101 ASP BBB N   
2347 C CA  . ASP B 99  ? 0.414 0.223 0.363 0.031  -0.006 0.025  101 ASP BBB CA  
2348 C C   . ASP B 99  ? 0.437 0.215 0.381 0.029  0.009  0.026  101 ASP BBB C   
2349 O O   . ASP B 99  ? 0.431 0.197 0.382 0.025  0.015  0.019  101 ASP BBB O   
2350 C CB  . ASP B 99  ? 0.395 0.212 0.343 0.019  -0.013 0.012  101 ASP BBB CB  
2351 C CG  . ASP B 99  ? 0.400 0.222 0.338 0.016  -0.015 0.012  101 ASP BBB CG  
2352 O OD1 . ASP B 99  ? 0.400 0.245 0.337 0.021  -0.022 0.014  101 ASP BBB OD1 
2353 O OD2 . ASP B 99  ? 0.397 0.204 0.329 0.008  -0.010 0.009  101 ASP BBB OD2 
2354 N N   . ARG B 100 ? 0.451 0.219 0.387 0.029  0.014  0.034  102 ARG BBB N   
2355 C CA  . ARG B 100 ? 0.492 0.230 0.426 0.022  0.030  0.031  102 ARG BBB CA  
2356 C C   . ARG B 100 ? 0.449 0.188 0.382 0.005  0.028  0.013  102 ARG BBB C   
2357 O O   . ARG B 100 ? 0.427 0.148 0.363 -0.004 0.040  0.004  102 ARG BBB O   
2358 C CB  . ARG B 100 ? 0.530 0.258 0.455 0.025  0.038  0.046  102 ARG BBB CB  
2359 C CG  . ARG B 100 ? 0.614 0.323 0.544 0.041  0.051  0.065  102 ARG BBB CG  
2360 C CD  . ARG B 100 ? 0.637 0.306 0.572 0.035  0.074  0.065  102 ARG BBB CD  
2361 N NE  . ARG B 100 ? 0.740 0.402 0.667 0.045  0.082  0.088  102 ARG BBB NE  
2362 C CZ  . ARG B 100 ? 0.756 0.391 0.681 0.037  0.099  0.093  102 ARG BBB CZ  
2363 N NH1 . ARG B 100 ? 0.831 0.465 0.747 0.048  0.105  0.118  102 ARG BBB NH1 
2364 N NH2 . ARG B 100 ? 0.793 0.406 0.725 0.017  0.110  0.071  102 ARG BBB NH2 
2365 N N   . GLY B 101 ? 0.421 0.181 0.352 0.001  0.015  0.007  103 GLY BBB N   
2366 C CA  . GLY B 101 ? 0.406 0.171 0.336 -0.012 0.013  -0.006 103 GLY BBB CA  
2367 C C   . GLY B 101 ? 0.385 0.162 0.323 -0.013 0.007  -0.012 103 GLY BBB C   
2368 O O   . GLY B 101 ? 0.384 0.169 0.327 -0.006 0.001  -0.007 103 GLY BBB O   
2369 N N   . GLU B 102 ? 0.391 0.173 0.329 -0.022 0.009  -0.022 104 GLU BBB N   
2370 C CA  . GLU B 102 ? 0.378 0.177 0.320 -0.023 0.004  -0.025 104 GLU BBB CA  
2371 C C   . GLU B 102 ? 0.367 0.179 0.309 -0.025 -0.004 -0.024 104 GLU BBB C   
2372 O O   . GLU B 102 ? 0.361 0.178 0.299 -0.030 -0.002 -0.029 104 GLU BBB O   
2373 C CB  . GLU B 102 ? 0.391 0.194 0.332 -0.031 0.012  -0.035 104 GLU BBB CB  
2374 C CG  . GLU B 102 ? 0.392 0.214 0.335 -0.030 0.008  -0.035 104 GLU BBB CG  
2375 C CD  . GLU B 102 ? 0.410 0.245 0.351 -0.038 0.016  -0.048 104 GLU BBB CD  
2376 O OE1 . GLU B 102 ? 0.443 0.264 0.384 -0.044 0.027  -0.059 104 GLU BBB OE1 
2377 O OE2 . GLU B 102 ? 0.411 0.272 0.351 -0.039 0.013  -0.048 104 GLU BBB OE2 
2378 N N   . SER B 103 ? 0.371 0.189 0.321 -0.020 -0.010 -0.019 105 SER BBB N   
2379 C CA  . SER B 103 ? 0.356 0.183 0.311 -0.019 -0.015 -0.018 105 SER BBB CA  
2380 C C   . SER B 103 ? 0.359 0.199 0.317 -0.019 -0.015 -0.014 105 SER BBB C   
2381 O O   . SER B 103 ? 0.347 0.192 0.307 -0.018 -0.014 -0.011 105 SER BBB O   
2382 C CB  . SER B 103 ? 0.359 0.184 0.323 -0.016 -0.019 -0.016 105 SER BBB CB  
2383 O OG  . SER B 103 ? 0.345 0.174 0.317 -0.015 -0.021 -0.017 105 SER BBB OG  
2384 N N   . TYR B 104 ? 0.350 0.201 0.309 -0.019 -0.017 -0.014 106 TYR BBB N   
2385 C CA  . TYR B 104 ? 0.352 0.219 0.318 -0.014 -0.018 -0.006 106 TYR BBB CA  
2386 C C   . TYR B 104 ? 0.343 0.201 0.323 -0.008 -0.017 0.004  106 TYR BBB C   
2387 O O   . TYR B 104 ? 0.338 0.206 0.323 -0.004 -0.015 0.015  106 TYR BBB O   
2388 C CB  . TYR B 104 ? 0.349 0.229 0.317 -0.012 -0.019 -0.007 106 TYR BBB CB  
2389 C CG  . TYR B 104 ? 0.350 0.252 0.326 -0.003 -0.019 0.006  106 TYR BBB CG  
2390 C CD1 . TYR B 104 ? 0.350 0.279 0.318 -0.004 -0.019 0.009  106 TYR BBB CD1 
2391 C CD2 . TYR B 104 ? 0.364 0.259 0.356 0.006  -0.018 0.016  106 TYR BBB CD2 
2392 C CE1 . TYR B 104 ? 0.364 0.319 0.337 0.006  -0.019 0.025  106 TYR BBB CE1 
2393 C CE2 . TYR B 104 ? 0.353 0.265 0.352 0.017  -0.016 0.033  106 TYR BBB CE2 
2394 C CZ  . TYR B 104 ? 0.364 0.309 0.353 0.018  -0.018 0.039  106 TYR BBB CZ  
2395 O OH  . TYR B 104 ? 0.390 0.358 0.386 0.031  -0.016 0.059  106 TYR BBB OH  
2396 N N   . TYR B 105 ? 0.337 0.179 0.324 -0.009 -0.018 -0.002 107 TYR BBB N   
2397 C CA  . TYR B 105 ? 0.344 0.176 0.347 -0.008 -0.016 0.001  107 TYR BBB CA  
2398 C C   . TYR B 105 ? 0.341 0.170 0.342 -0.012 -0.017 -0.003 107 TYR BBB C   
2399 O O   . TYR B 105 ? 0.338 0.163 0.345 -0.014 -0.018 -0.010 107 TYR BBB O   
2400 C CB  . TYR B 105 ? 0.335 0.159 0.348 -0.008 -0.016 -0.008 107 TYR BBB CB  
2401 C CG  . TYR B 105 ? 0.330 0.159 0.346 -0.003 -0.015 -0.005 107 TYR BBB CG  
2402 C CD1 . TYR B 105 ? 0.344 0.173 0.374 0.005  -0.010 0.008  107 TYR BBB CD1 
2403 C CD2 . TYR B 105 ? 0.324 0.159 0.330 -0.005 -0.017 -0.014 107 TYR BBB CD2 
2404 C CE1 . TYR B 105 ? 0.339 0.177 0.374 0.012  -0.008 0.011  107 TYR BBB CE1 
2405 C CE2 . TYR B 105 ? 0.329 0.173 0.341 0.000  -0.016 -0.013 107 TYR BBB CE2 
2406 C CZ  . TYR B 105 ? 0.334 0.180 0.360 0.010  -0.012 -0.000 107 TYR BBB CZ  
2407 O OH  . TYR B 105 ? 0.347 0.205 0.379 0.017  -0.011 0.003  107 TYR BBB OH  
2408 N N   . TYR B 106 ? 0.354 0.189 0.348 -0.012 -0.015 0.002  108 TYR BBB N   
2409 C CA  . TYR B 106 ? 0.352 0.187 0.344 -0.013 -0.015 -0.001 108 TYR BBB CA  
2410 C C   . TYR B 106 ? 0.357 0.190 0.365 -0.014 -0.013 0.000  108 TYR BBB C   
2411 O O   . TYR B 106 ? 0.340 0.176 0.349 -0.014 -0.015 -0.004 108 TYR BBB O   
2412 C CB  . TYR B 106 ? 0.371 0.213 0.353 -0.013 -0.012 0.002  108 TYR BBB CB  
2413 C CG  . TYR B 106 ? 0.376 0.231 0.362 -0.012 -0.008 0.012  108 TYR BBB CG  
2414 C CD1 . TYR B 106 ? 0.387 0.243 0.382 -0.012 -0.005 0.019  108 TYR BBB CD1 
2415 C CD2 . TYR B 106 ? 0.386 0.254 0.364 -0.011 -0.009 0.016  108 TYR BBB CD2 
2416 C CE1 . TYR B 106 ? 0.400 0.269 0.398 -0.010 -0.000 0.032  108 TYR BBB CE1 
2417 C CE2 . TYR B 106 ? 0.408 0.294 0.389 -0.007 -0.006 0.029  108 TYR BBB CE2 
2418 C CZ  . TYR B 106 ? 0.412 0.296 0.402 -0.006 -0.001 0.039  108 TYR BBB CZ  
2419 O OH  . TYR B 106 ? 0.432 0.333 0.422 -0.002 0.003  0.056  108 TYR BBB OH  
2420 N N   . THR B 107 ? 0.348 0.177 0.370 -0.015 -0.010 0.006  109 THR BBB N   
2421 C CA  . THR B 107 ? 0.354 0.182 0.396 -0.019 -0.006 0.004  109 THR BBB CA  
2422 C C   . THR B 107 ? 0.368 0.194 0.419 -0.023 -0.009 -0.011 109 THR BBB C   
2423 O O   . THR B 107 ? 0.391 0.221 0.460 -0.029 -0.005 -0.017 109 THR BBB O   
2424 C CB  . THR B 107 ? 0.359 0.179 0.416 -0.018 0.003  0.017  109 THR BBB CB  
2425 O OG1 . THR B 107 ? 0.365 0.175 0.429 -0.016 0.005  0.016  109 THR BBB OG1 
2426 C CG2 . THR B 107 ? 0.359 0.189 0.405 -0.013 0.006  0.033  109 THR BBB CG2 
2427 N N   . ARG B 108 ? 0.355 0.182 0.396 -0.022 -0.014 -0.018 110 ARG BBB N   
2428 C CA  . ARG B 108 ? 0.368 0.200 0.416 -0.026 -0.016 -0.034 110 ARG BBB CA  
2429 C C   . ARG B 108 ? 0.361 0.210 0.401 -0.026 -0.023 -0.040 110 ARG BBB C   
2430 O O   . ARG B 108 ? 0.363 0.215 0.385 -0.020 -0.027 -0.034 110 ARG BBB O   
2431 C CB  . ARG B 108 ? 0.360 0.187 0.399 -0.023 -0.018 -0.037 110 ARG BBB CB  
2432 C CG  . ARG B 108 ? 0.374 0.189 0.425 -0.021 -0.012 -0.032 110 ARG BBB CG  
2433 C CD  . ARG B 108 ? 0.365 0.181 0.408 -0.019 -0.014 -0.039 110 ARG BBB CD  
2434 N NE  . ARG B 108 ? 0.378 0.184 0.433 -0.014 -0.008 -0.033 110 ARG BBB NE  
2435 C CZ  . ARG B 108 ? 0.371 0.181 0.423 -0.010 -0.008 -0.037 110 ARG BBB CZ  
2436 N NH1 . ARG B 108 ? 0.361 0.181 0.395 -0.013 -0.014 -0.045 110 ARG BBB NH1 
2437 N NH2 . ARG B 108 ? 0.389 0.192 0.454 -0.003 -0.002 -0.030 110 ARG BBB NH2 
2438 N N   . PRO B 109 ? 0.366 0.232 0.422 -0.032 -0.024 -0.052 111 PRO BBB N   
2439 C CA  . PRO B 109 ? 0.371 0.262 0.420 -0.029 -0.031 -0.057 111 PRO BBB CA  
2440 C C   . PRO B 109 ? 0.383 0.283 0.414 -0.025 -0.037 -0.059 111 PRO BBB C   
2441 O O   . PRO B 109 ? 0.388 0.300 0.405 -0.017 -0.042 -0.051 111 PRO BBB O   
2442 C CB  . PRO B 109 ? 0.378 0.289 0.450 -0.040 -0.030 -0.075 111 PRO BBB CB  
2443 C CG  . PRO B 109 ? 0.388 0.277 0.480 -0.047 -0.019 -0.072 111 PRO BBB CG  
2444 C CD  . PRO B 109 ? 0.374 0.235 0.456 -0.041 -0.016 -0.060 111 PRO BBB CD  
2445 N N   . THR B 110 ? 0.369 0.261 0.401 -0.028 -0.035 -0.067 112 THR BBB N   
2446 C CA  . THR B 110 ? 0.367 0.270 0.382 -0.026 -0.039 -0.070 112 THR BBB CA  
2447 C C   . THR B 110 ? 0.364 0.252 0.358 -0.018 -0.039 -0.053 112 THR BBB C   
2448 O O   . THR B 110 ? 0.367 0.265 0.346 -0.015 -0.042 -0.051 112 THR BBB O   
2449 C CB  . THR B 110 ? 0.375 0.273 0.399 -0.032 -0.035 -0.085 112 THR BBB CB  
2450 O OG1 . THR B 110 ? 0.369 0.238 0.401 -0.031 -0.029 -0.077 112 THR BBB OG1 
2451 C CG2 . THR B 110 ? 0.384 0.301 0.429 -0.042 -0.034 -0.107 112 THR BBB CG2 
2452 N N   . GLU B 111 ? 0.345 0.213 0.338 -0.016 -0.036 -0.042 113 GLU BBB N   
2453 C CA  . GLU B 111 ? 0.352 0.206 0.329 -0.011 -0.033 -0.030 113 GLU BBB CA  
2454 C C   . GLU B 111 ? 0.351 0.208 0.321 -0.004 -0.033 -0.021 113 GLU BBB C   
2455 O O   . GLU B 111 ? 0.365 0.207 0.324 -0.001 -0.029 -0.013 113 GLU BBB O   
2456 C CB  . GLU B 111 ? 0.347 0.186 0.328 -0.013 -0.029 -0.026 113 GLU BBB CB  
2457 C CG  . GLU B 111 ? 0.352 0.186 0.337 -0.016 -0.028 -0.031 113 GLU BBB CG  
2458 C CD  . GLU B 111 ? 0.342 0.176 0.315 -0.016 -0.027 -0.032 113 GLU BBB CD  
2459 O OE1 . GLU B 111 ? 0.345 0.175 0.313 -0.016 -0.025 -0.028 113 GLU BBB OE1 
2460 O OE2 . GLU B 111 ? 0.373 0.216 0.340 -0.016 -0.029 -0.037 113 GLU BBB OE2 
2461 N N   . TYR B 112 ? 0.348 0.224 0.326 -0.001 -0.037 -0.022 114 TYR BBB N   
2462 C CA  . TYR B 112 ? 0.371 0.253 0.346 0.009  -0.037 -0.011 114 TYR BBB CA  
2463 C C   . TYR B 112 ? 0.389 0.299 0.358 0.016  -0.042 -0.009 114 TYR BBB C   
2464 O O   . TYR B 112 ? 0.378 0.317 0.357 0.011  -0.048 -0.021 114 TYR BBB O   
2465 C CB  . TYR B 112 ? 0.358 0.243 0.347 0.009  -0.036 -0.012 114 TYR BBB CB  
2466 C CG  . TYR B 112 ? 0.352 0.216 0.343 0.004  -0.030 -0.012 114 TYR BBB CG  
2467 C CD1 . TYR B 112 ? 0.343 0.203 0.342 -0.005 -0.029 -0.018 114 TYR BBB CD1 
2468 C CD2 . TYR B 112 ? 0.359 0.207 0.343 0.007  -0.023 -0.006 114 TYR BBB CD2 
2469 C CE1 . TYR B 112 ? 0.338 0.185 0.338 -0.008 -0.024 -0.014 114 TYR BBB CE1 
2470 C CE2 . TYR B 112 ? 0.342 0.179 0.326 0.002  -0.019 -0.007 114 TYR BBB CE2 
2471 C CZ  . TYR B 112 ? 0.348 0.187 0.339 -0.005 -0.020 -0.010 114 TYR BBB CZ  
2472 O OH  . TYR B 112 ? 0.348 0.182 0.337 -0.008 -0.016 -0.007 114 TYR BBB OH  
2473 N N   . GLU B 113 ? 0.393 0.299 0.349 0.026  -0.039 0.005  115 GLU BBB N   
2474 C CA  . GLU B 113 ? 0.413 0.351 0.360 0.035  -0.044 0.013  115 GLU BBB CA  
2475 C C   . GLU B 113 ? 0.407 0.375 0.364 0.046  -0.049 0.018  115 GLU BBB C   
2476 O O   . GLU B 113 ? 0.390 0.402 0.348 0.048  -0.057 0.014  115 GLU BBB O   
2477 C CB  . GLU B 113 ? 0.453 0.372 0.383 0.043  -0.036 0.031  115 GLU BBB CB  
2478 C CG  . GLU B 113 ? 0.504 0.457 0.424 0.056  -0.040 0.045  115 GLU BBB CG  
2479 C CD  . GLU B 113 ? 0.542 0.475 0.446 0.063  -0.029 0.065  115 GLU BBB CD  
2480 O OE1 . GLU B 113 ? 0.564 0.455 0.467 0.056  -0.019 0.065  115 GLU BBB OE1 
2481 O OE2 . GLU B 113 ? 0.559 0.520 0.452 0.074  -0.031 0.080  115 GLU BBB OE2 
2482 N N   . PHE B 114 ? 0.410 0.362 0.375 0.052  -0.044 0.025  116 PHE BBB N   
2483 C CA  . PHE B 114 ? 0.425 0.406 0.400 0.067  -0.046 0.035  116 PHE BBB CA  
2484 C C   . PHE B 114 ? 0.408 0.400 0.403 0.059  -0.049 0.020  116 PHE BBB C   
2485 O O   . PHE B 114 ? 0.404 0.365 0.403 0.049  -0.043 0.014  116 PHE BBB O   
2486 C CB  . PHE B 114 ? 0.433 0.387 0.404 0.083  -0.035 0.056  116 PHE BBB CB  
2487 C CG  . PHE B 114 ? 0.447 0.388 0.401 0.091  -0.029 0.073  116 PHE BBB CG  
2488 C CD1 . PHE B 114 ? 0.467 0.446 0.414 0.106  -0.034 0.089  116 PHE BBB CD1 
2489 C CD2 . PHE B 114 ? 0.446 0.342 0.392 0.083  -0.019 0.073  116 PHE BBB CD2 
2490 C CE1 . PHE B 114 ? 0.492 0.460 0.422 0.113  -0.028 0.107  116 PHE BBB CE1 
2491 C CE2 . PHE B 114 ? 0.474 0.358 0.406 0.088  -0.011 0.089  116 PHE BBB CE2 
2492 C CZ  . PHE B 114 ? 0.494 0.412 0.418 0.103  -0.015 0.107  116 PHE BBB CZ  
2493 N N   . TRP B 115 ? 0.412 0.451 0.419 0.063  -0.057 0.016  117 TRP BBB N   
2494 C CA  . TRP B 115 ? 0.406 0.465 0.434 0.053  -0.059 0.000  117 TRP BBB CA  
2495 C C   . TRP B 115 ? 0.424 0.524 0.464 0.068  -0.063 0.008  117 TRP BBB C   
2496 O O   . TRP B 115 ? 0.421 0.563 0.457 0.080  -0.070 0.015  117 TRP BBB O   
2497 C CB  . TRP B 115 ? 0.390 0.473 0.424 0.035  -0.066 -0.023 117 TRP BBB CB  
2498 C CG  . TRP B 115 ? 0.382 0.423 0.411 0.021  -0.060 -0.031 117 TRP BBB CG  
2499 C CD1 . TRP B 115 ? 0.384 0.409 0.396 0.020  -0.060 -0.028 117 TRP BBB CD1 
2500 C CD2 . TRP B 115 ? 0.375 0.389 0.417 0.007  -0.054 -0.040 117 TRP BBB CD2 
2501 N NE1 . TRP B 115 ? 0.381 0.370 0.394 0.008  -0.055 -0.035 117 TRP BBB NE1 
2502 C CE2 . TRP B 115 ? 0.368 0.350 0.400 0.001  -0.051 -0.041 117 TRP BBB CE2 
2503 C CE3 . TRP B 115 ? 0.364 0.379 0.425 0.000  -0.050 -0.044 117 TRP BBB CE3 
2504 C CZ2 . TRP B 115 ? 0.361 0.314 0.400 -0.010 -0.044 -0.045 117 TRP BBB CZ2 
2505 C CZ3 . TRP B 115 ? 0.360 0.344 0.427 -0.011 -0.043 -0.048 117 TRP BBB CZ3 
2506 C CH2 . TRP B 115 ? 0.355 0.310 0.412 -0.015 -0.040 -0.048 117 TRP BBB CH2 
2507 N N   . GLY B 116 ? 0.417 0.509 0.472 0.068  -0.057 0.007  118 GLY BBB N   
2508 C CA  . GLY B 116 ? 0.442 0.580 0.515 0.079  -0.061 0.008  118 GLY BBB CA  
2509 C C   . GLY B 116 ? 0.441 0.630 0.530 0.063  -0.070 -0.014 118 GLY BBB C   
2510 O O   . GLY B 116 ? 0.425 0.604 0.511 0.044  -0.071 -0.030 118 GLY BBB O   
2511 N N   . GLN B 117 ? 0.460 0.703 0.566 0.071  -0.075 -0.015 119 GLN BBB N   
2512 C CA  . GLN B 117 ? 0.485 0.787 0.611 0.056  -0.083 -0.039 119 GLN BBB CA  
2513 C C   . GLN B 117 ? 0.461 0.745 0.608 0.033  -0.075 -0.058 119 GLN BBB C   
2514 O O   . GLN B 117 ? 0.443 0.759 0.608 0.013  -0.077 -0.083 119 GLN BBB O   
2515 C CB  . GLN B 117 ? 0.520 0.891 0.657 0.075  -0.091 -0.031 119 GLN BBB CB  
2516 C CG  . GLN B 117 ? 0.574 0.975 0.690 0.096  -0.099 -0.013 119 GLN BBB CG  
2517 C CD  . GLN B 117 ? 0.610 1.046 0.721 0.078  -0.108 -0.036 119 GLN BBB CD  
2518 O OE1 . GLN B 117 ? 0.671 1.067 0.763 0.069  -0.105 -0.037 119 GLN BBB OE1 
2519 N NE2 . GLN B 117 ? 0.637 1.149 0.766 0.070  -0.117 -0.056 119 GLN BBB NE2 
2520 N N   . GLY B 118 ? 0.444 0.680 0.589 0.036  -0.064 -0.047 120 GLY BBB N   
2521 C CA  . GLY B 118 ? 0.424 0.641 0.587 0.018  -0.055 -0.058 120 GLY BBB CA  
2522 C C   . GLY B 118 ? 0.421 0.677 0.607 0.023  -0.053 -0.059 120 GLY BBB C   
2523 O O   . GLY B 118 ? 0.416 0.727 0.609 0.036  -0.062 -0.058 120 GLY BBB O   
2524 N N   . THR B 119 ? 0.394 0.625 0.589 0.013  -0.042 -0.060 121 THR BBB N   
2525 C CA  . THR B 119 ? 0.394 0.662 0.614 0.014  -0.038 -0.064 121 THR BBB CA  
2526 C C   . THR B 119 ? 0.377 0.634 0.615 -0.012 -0.027 -0.078 121 THR BBB C   
2527 O O   . THR B 119 ? 0.369 0.574 0.595 -0.022 -0.020 -0.074 121 THR BBB O   
2528 C CB  . THR B 119 ? 0.408 0.661 0.622 0.036  -0.032 -0.046 121 THR BBB CB  
2529 O OG1 . THR B 119 ? 0.407 0.709 0.647 0.039  -0.031 -0.052 121 THR BBB OG1 
2530 C CG2 . THR B 119 ? 0.401 0.596 0.601 0.031  -0.020 -0.040 121 THR BBB CG2 
2531 N N   . GLN B 120 ? 0.369 0.674 0.636 -0.024 -0.026 -0.094 122 GLN BBB N   
2532 C CA  . GLN B 120 ? 0.368 0.667 0.658 -0.051 -0.013 -0.107 122 GLN BBB CA  
2533 C C   . GLN B 120 ? 0.367 0.638 0.654 -0.047 -0.001 -0.093 122 GLN BBB C   
2534 O O   . GLN B 120 ? 0.358 0.650 0.647 -0.029 -0.002 -0.085 122 GLN BBB O   
2535 C CB  . GLN B 120 ? 0.373 0.738 0.696 -0.065 -0.015 -0.130 122 GLN BBB CB  
2536 C CG  . GLN B 120 ? 0.388 0.743 0.738 -0.094 0.002  -0.144 122 GLN BBB CG  
2537 C CD  . GLN B 120 ? 0.403 0.718 0.754 -0.115 0.008  -0.153 122 GLN BBB CD  
2538 O OE1 . GLN B 120 ? 0.408 0.736 0.756 -0.118 -0.001 -0.168 122 GLN BBB OE1 
2539 N NE2 . GLN B 120 ? 0.417 0.682 0.771 -0.127 0.025  -0.145 122 GLN BBB NE2 
2540 N N   . VAL B 121 ? 0.362 0.589 0.647 -0.063 0.012  -0.089 123 VAL BBB N   
2541 C CA  . VAL B 121 ? 0.360 0.571 0.649 -0.067 0.027  -0.079 123 VAL BBB CA  
2542 C C   . VAL B 121 ? 0.372 0.586 0.688 -0.095 0.040  -0.090 123 VAL BBB C   
2543 O O   . VAL B 121 ? 0.374 0.561 0.693 -0.109 0.043  -0.095 123 VAL BBB O   
2544 C CB  . VAL B 121 ? 0.355 0.512 0.613 -0.059 0.030  -0.061 123 VAL BBB CB  
2545 C CG1 . VAL B 121 ? 0.362 0.508 0.621 -0.065 0.046  -0.050 123 VAL BBB CG1 
2546 C CG2 . VAL B 121 ? 0.351 0.502 0.585 -0.035 0.020  -0.053 123 VAL BBB CG2 
2547 N N   . THR B 122 ? 0.382 0.629 0.722 -0.102 0.049  -0.095 124 THR BBB N   
2548 C CA  . THR B 122 ? 0.403 0.655 0.774 -0.130 0.066  -0.105 124 THR BBB CA  
2549 C C   . THR B 122 ? 0.416 0.656 0.786 -0.131 0.082  -0.088 124 THR BBB C   
2550 O O   . THR B 122 ? 0.409 0.683 0.782 -0.120 0.081  -0.087 124 THR BBB O   
2551 C CB  . THR B 122 ? 0.403 0.720 0.808 -0.141 0.062  -0.130 124 THR BBB CB  
2552 O OG1 . THR B 122 ? 0.403 0.733 0.802 -0.136 0.046  -0.143 124 THR BBB OG1 
2553 C CG2 . THR B 122 ? 0.418 0.741 0.860 -0.172 0.081  -0.145 124 THR BBB CG2 
2554 N N   . VAL B 123 ? 0.444 0.640 0.810 -0.142 0.097  -0.074 125 VAL BBB N   
2555 C CA  . VAL B 123 ? 0.470 0.656 0.834 -0.146 0.115  -0.055 125 VAL BBB CA  
2556 C C   . VAL B 123 ? 0.514 0.708 0.915 -0.173 0.135  -0.062 125 VAL BBB C   
2557 O O   . VAL B 123 ? 0.565 0.724 0.977 -0.188 0.146  -0.060 125 VAL BBB O   
2558 C CB  . VAL B 123 ? 0.475 0.610 0.807 -0.138 0.119  -0.030 125 VAL BBB CB  
2559 C CG1 . VAL B 123 ? 0.487 0.622 0.813 -0.139 0.135  -0.010 125 VAL BBB CG1 
2560 C CG2 . VAL B 123 ? 0.469 0.593 0.768 -0.115 0.100  -0.027 125 VAL BBB CG2 
2561 N N   . SER B 124 ? 0.525 0.765 0.950 -0.180 0.142  -0.072 126 SER BBB N   
2562 C CA  . SER B 124 ? 0.569 0.821 1.032 -0.209 0.164  -0.079 126 SER BBB CA  
2563 C C   . SER B 124 ? 0.608 0.833 1.063 -0.212 0.185  -0.050 126 SER BBB C   
2564 O O   . SER B 124 ? 0.623 0.838 1.045 -0.192 0.181  -0.031 126 SER BBB O   
2565 C CB  . SER B 124 ? 0.552 0.870 1.043 -0.213 0.161  -0.101 126 SER BBB CB  
2566 O OG  . SER B 124 ? 0.546 0.885 1.020 -0.194 0.159  -0.089 126 SER BBB OG  
2567 N N   . SER B 125 ? 0.657 0.874 1.143 -0.238 0.210  -0.049 127 SER BBB N   
2568 C CA  . SER B 125 ? 0.707 0.902 1.189 -0.243 0.234  -0.018 127 SER BBB CA  
2569 C C   . SER B 125 ? 0.705 0.949 1.205 -0.251 0.246  -0.022 127 SER BBB C   
2570 O O   . SER B 125 ? 0.728 1.000 1.270 -0.274 0.257  -0.043 127 SER BBB O   
2571 C CB  . SER B 125 ? 0.760 0.908 1.264 -0.263 0.257  -0.008 127 SER BBB CB  
2572 O OG  . SER B 125 ? 0.786 0.894 1.274 -0.254 0.245  -0.008 127 SER BBB OG  
2573 N N   . GLN C 1   ? 1.316 0.827 0.655 -0.134 -0.079 0.199  2   GLN FFF N   
2574 C CA  . GLN C 1   ? 1.343 0.810 0.655 -0.131 -0.111 0.221  2   GLN FFF CA  
2575 C C   . GLN C 1   ? 1.250 0.709 0.584 -0.099 -0.128 0.206  2   GLN FFF C   
2576 O O   . GLN C 1   ? 1.275 0.711 0.590 -0.093 -0.151 0.216  2   GLN FFF O   
2577 C CB  . GLN C 1   ? 1.403 0.837 0.723 -0.142 -0.128 0.243  2   GLN FFF CB  
2578 C CG  . GLN C 1   ? 1.377 0.804 0.747 -0.120 -0.137 0.230  2   GLN FFF CG  
2579 C CD  . GLN C 1   ? 1.439 0.865 0.832 -0.135 -0.130 0.235  2   GLN FFF CD  
2580 O OE1 . GLN C 1   ? 1.530 0.970 0.909 -0.164 -0.113 0.245  2   GLN FFF OE1 
2581 N NE2 . GLN C 1   ? 1.445 0.856 0.874 -0.117 -0.143 0.227  2   GLN FFF NE2 
2582 N N   . VAL C 2   ? 1.167 0.644 0.540 -0.079 -0.117 0.183  3   VAL FFF N   
2583 C CA  . VAL C 2   ? 1.115 0.592 0.502 -0.054 -0.125 0.166  3   VAL FFF CA  
2584 C C   . VAL C 2   ? 1.121 0.615 0.480 -0.057 -0.119 0.162  3   VAL FFF C   
2585 O O   . VAL C 2   ? 1.124 0.642 0.465 -0.073 -0.099 0.160  3   VAL FFF O   
2586 C CB  . VAL C 2   ? 1.063 0.555 0.484 -0.038 -0.112 0.144  3   VAL FFF CB  
2587 C CG1 . VAL C 2   ? 1.041 0.567 0.465 -0.044 -0.088 0.129  3   VAL FFF CG1 
2588 C CG2 . VAL C 2   ? 1.026 0.512 0.458 -0.017 -0.120 0.130  3   VAL FFF CG2 
2589 N N   . GLN C 3   ? 1.128 0.611 0.484 -0.043 -0.136 0.160  4   GLN FFF N   
2590 C CA  . GLN C 3   ? 1.154 0.651 0.487 -0.044 -0.135 0.154  4   GLN FFF CA  
2591 C C   . GLN C 3   ? 1.101 0.608 0.464 -0.021 -0.135 0.132  4   GLN FFF C   
2592 O O   . GLN C 3   ? 1.095 0.587 0.485 -0.007 -0.146 0.129  4   GLN FFF O   
2593 C CB  . GLN C 3   ? 1.215 0.684 0.512 -0.053 -0.161 0.175  4   GLN FFF CB  
2594 C CG  . GLN C 3   ? 1.281 0.736 0.541 -0.081 -0.161 0.200  4   GLN FFF CG  
2595 C CD  . GLN C 3   ? 1.360 0.779 0.576 -0.092 -0.191 0.224  4   GLN FFF CD  
2596 O OE1 . GLN C 3   ? 1.395 0.811 0.596 -0.084 -0.206 0.219  4   GLN FFF OE1 
2597 N NE2 . GLN C 3   ? 1.418 0.806 0.612 -0.110 -0.204 0.250  4   GLN FFF NE2 
2598 N N   . LEU C 4   ? 1.082 0.613 0.440 -0.020 -0.121 0.117  5   LEU FFF N   
2599 C CA  . LEU C 4   ? 1.045 0.588 0.429 -0.003 -0.117 0.096  5   LEU FFF CA  
2600 C C   . LEU C 4   ? 1.041 0.589 0.411 -0.001 -0.127 0.091  5   LEU FFF C   
2601 O O   . LEU C 4   ? 1.053 0.611 0.391 -0.013 -0.123 0.093  5   LEU FFF O   
2602 C CB  . LEU C 4   ? 1.033 0.597 0.429 -0.003 -0.094 0.080  5   LEU FFF CB  
2603 C CG  . LEU C 4   ? 1.037 0.596 0.448 -0.005 -0.087 0.083  5   LEU FFF CG  
2604 C CD1 . LEU C 4   ? 1.035 0.615 0.460 -0.005 -0.070 0.066  5   LEU FFF CD1 
2605 C CD2 . LEU C 4   ? 1.015 0.553 0.447 0.007  -0.096 0.082  5   LEU FFF CD2 
2606 N N   . VAL C 5   ? 1.016 0.559 0.410 0.013  -0.139 0.082  6   VAL FFF N   
2607 C CA  . VAL C 5   ? 1.035 0.586 0.427 0.017  -0.150 0.073  6   VAL FFF CA  
2608 C C   . VAL C 5   ? 0.997 0.563 0.422 0.028  -0.138 0.052  6   VAL FFF C   
2609 O O   . VAL C 5   ? 0.968 0.529 0.425 0.037  -0.139 0.046  6   VAL FFF O   
2610 C CB  . VAL C 5   ? 1.065 0.596 0.462 0.022  -0.181 0.082  6   VAL FFF CB  
2611 C CG1 . VAL C 5   ? 1.074 0.612 0.475 0.028  -0.195 0.071  6   VAL FFF CG1 
2612 C CG2 . VAL C 5   ? 1.114 0.621 0.472 0.009  -0.196 0.107  6   VAL FFF CG2 
2613 N N   . GLU C 6   ? 0.983 0.566 0.400 0.025  -0.125 0.040  7   GLU FFF N   
2614 C CA  . GLU C 6   ? 0.950 0.544 0.393 0.032  -0.118 0.021  7   GLU FFF CA  
2615 C C   . GLU C 6   ? 0.962 0.557 0.418 0.038  -0.136 0.015  7   GLU FFF C   
2616 O O   . GLU C 6   ? 0.980 0.572 0.411 0.034  -0.152 0.022  7   GLU FFF O   
2617 C CB  . GLU C 6   ? 0.943 0.551 0.376 0.029  -0.104 0.009  7   GLU FFF CB  
2618 C CG  . GLU C 6   ? 0.936 0.546 0.361 0.024  -0.089 0.012  7   GLU FFF CG  
2619 C CD  . GLU C 6   ? 0.962 0.581 0.357 0.012  -0.085 0.019  7   GLU FFF CD  
2620 O OE1 . GLU C 6   ? 1.011 0.627 0.380 0.007  -0.097 0.029  7   GLU FFF OE1 
2621 O OE2 . GLU C 6   ? 0.952 0.581 0.347 0.008  -0.071 0.015  7   GLU FFF OE2 
2622 N N   . SER C 7   ? 0.943 0.543 0.435 0.044  -0.133 0.002  8   SER FFF N   
2623 C CA  . SER C 7   ? 0.949 0.556 0.464 0.049  -0.147 -0.010 8   SER FFF CA  
2624 C C   . SER C 7   ? 0.925 0.542 0.471 0.049  -0.131 -0.027 8   SER FFF C   
2625 O O   . SER C 7   ? 0.893 0.505 0.436 0.045  -0.112 -0.026 8   SER FFF O   
2626 C CB  . SER C 7   ? 0.957 0.557 0.496 0.056  -0.166 -0.007 8   SER FFF CB  
2627 O OG  . SER C 7   ? 0.938 0.536 0.505 0.059  -0.153 -0.011 8   SER FFF OG  
2628 N N   . GLY C 8   ? 0.928 0.555 0.501 0.051  -0.140 -0.040 9   GLY FFF N   
2629 C CA  . GLY C 8   ? 0.926 0.563 0.533 0.047  -0.126 -0.056 9   GLY FFF CA  
2630 C C   . GLY C 8   ? 0.940 0.582 0.538 0.043  -0.126 -0.064 9   GLY FFF C   
2631 O O   . GLY C 8   ? 0.955 0.603 0.582 0.039  -0.119 -0.077 9   GLY FFF O   
2632 N N   . GLY C 9   ? 0.957 0.596 0.518 0.044  -0.131 -0.060 10  GLY FFF N   
2633 C CA  . GLY C 9   ? 0.962 0.607 0.516 0.041  -0.133 -0.072 10  GLY FFF CA  
2634 C C   . GLY C 9   ? 0.973 0.628 0.548 0.044  -0.151 -0.084 10  GLY FFF C   
2635 O O   . GLY C 9   ? 0.994 0.651 0.586 0.048  -0.166 -0.082 10  GLY FFF O   
2636 N N   . GLY C 10  ? 0.955 0.614 0.533 0.042  -0.154 -0.098 11  GLY FFF N   
2637 C CA  . GLY C 10  ? 0.976 0.644 0.576 0.043  -0.173 -0.112 11  GLY FFF CA  
2638 C C   . GLY C 10  ? 0.971 0.639 0.587 0.039  -0.168 -0.128 11  GLY FFF C   
2639 O O   . GLY C 10  ? 0.983 0.643 0.588 0.035  -0.153 -0.127 11  GLY FFF O   
2640 N N   . LEU C 11  ? 0.977 0.653 0.621 0.038  -0.184 -0.142 12  LEU FFF N   
2641 C CA  . LEU C 11  ? 0.986 0.661 0.652 0.033  -0.184 -0.158 12  LEU FFF CA  
2642 C C   . LEU C 11  ? 0.963 0.635 0.668 0.022  -0.166 -0.157 12  LEU FFF C   
2643 O O   . LEU C 11  ? 0.960 0.643 0.699 0.020  -0.164 -0.157 12  LEU FFF O   
2644 C CB  . LEU C 11  ? 1.012 0.697 0.696 0.036  -0.210 -0.174 12  LEU FFF CB  
2645 C CG  . LEU C 11  ? 1.049 0.734 0.687 0.043  -0.228 -0.180 12  LEU FFF CG  
2646 C CD1 . LEU C 11  ? 1.076 0.767 0.730 0.047  -0.259 -0.192 12  LEU FFF CD1 
2647 C CD2 . LEU C 11  ? 1.068 0.748 0.690 0.042  -0.222 -0.193 12  LEU FFF CD2 
2648 N N   . VAL C 12  ? 0.962 0.618 0.661 0.014  -0.154 -0.157 13  VAL FFF N   
2649 C CA  . VAL C 12  ? 0.969 0.615 0.694 -0.001 -0.137 -0.155 13  VAL FFF CA  
2650 C C   . VAL C 12  ? 0.986 0.615 0.715 -0.009 -0.144 -0.164 13  VAL FFF C   
2651 O O   . VAL C 12  ? 0.979 0.601 0.684 0.000  -0.153 -0.169 13  VAL FFF O   
2652 C CB  . VAL C 12  ? 0.982 0.614 0.685 -0.006 -0.116 -0.138 13  VAL FFF CB  
2653 C CG1 . VAL C 12  ? 0.991 0.610 0.653 0.004  -0.118 -0.130 13  VAL FFF CG1 
2654 C CG2 . VAL C 12  ? 0.999 0.611 0.712 -0.026 -0.100 -0.134 13  VAL FFF CG2 
2655 N N   . GLN C 13  ? 0.996 0.620 0.758 -0.025 -0.138 -0.168 14  GLN FFF N   
2656 C CA  . GLN C 13  ? 1.029 0.631 0.799 -0.036 -0.145 -0.175 14  GLN FFF CA  
2657 C C   . GLN C 13  ? 1.026 0.594 0.765 -0.044 -0.135 -0.160 14  GLN FFF C   
2658 O O   . GLN C 13  ? 1.017 0.580 0.738 -0.049 -0.117 -0.145 14  GLN FFF O   
2659 C CB  . GLN C 13  ? 1.058 0.669 0.875 -0.054 -0.142 -0.183 14  GLN FFF CB  
2660 C CG  . GLN C 13  ? 1.077 0.715 0.929 -0.045 -0.162 -0.202 14  GLN FFF CG  
2661 C CD  . GLN C 13  ? 1.118 0.752 1.008 -0.059 -0.173 -0.216 14  GLN FFF CD  
2662 O OE1 . GLN C 13  ? 1.149 0.768 1.055 -0.082 -0.157 -0.210 14  GLN FFF OE1 
2663 N NE2 . GLN C 13  ? 1.148 0.791 1.049 -0.046 -0.199 -0.233 14  GLN FFF NE2 
2664 N N   . PRO C 14  ? 1.037 0.577 0.768 -0.045 -0.149 -0.164 15  PRO FFF N   
2665 C CA  . PRO C 14  ? 1.045 0.546 0.750 -0.054 -0.146 -0.150 15  PRO FFF CA  
2666 C C   . PRO C 14  ? 1.052 0.535 0.754 -0.080 -0.125 -0.134 15  PRO FFF C   
2667 O O   . PRO C 14  ? 1.044 0.539 0.777 -0.096 -0.119 -0.139 15  PRO FFF O   
2668 C CB  . PRO C 14  ? 1.076 0.551 0.790 -0.053 -0.170 -0.163 15  PRO FFF CB  
2669 C CG  . PRO C 14  ? 1.063 0.572 0.797 -0.036 -0.184 -0.186 15  PRO FFF CG  
2670 C CD  . PRO C 14  ? 1.042 0.586 0.791 -0.038 -0.172 -0.185 15  PRO FFF CD  
2671 N N   . GLY C 15  ? 1.053 0.512 0.720 -0.085 -0.115 -0.116 16  GLY FFF N   
2672 C CA  . GLY C 15  ? 1.073 0.511 0.724 -0.112 -0.093 -0.101 16  GLY FFF CA  
2673 C C   . GLY C 15  ? 1.049 0.521 0.705 -0.112 -0.068 -0.099 16  GLY FFF C   
2674 O O   . GLY C 15  ? 1.066 0.522 0.700 -0.131 -0.047 -0.088 16  GLY FFF O   
2675 N N   . GLY C 16  ? 1.008 0.522 0.689 -0.091 -0.072 -0.111 17  GLY FFF N   
2676 C CA  . GLY C 16  ? 0.987 0.533 0.682 -0.086 -0.055 -0.113 17  GLY FFF CA  
2677 C C   . GLY C 16  ? 0.978 0.517 0.637 -0.075 -0.049 -0.101 17  GLY FFF C   
2678 O O   . GLY C 16  ? 0.980 0.491 0.605 -0.069 -0.060 -0.092 17  GLY FFF O   
2679 N N   . SER C 17  ? 0.976 0.539 0.646 -0.071 -0.035 -0.102 18  SER FFF N   
2680 C CA  . SER C 17  ? 0.978 0.537 0.620 -0.062 -0.029 -0.092 18  SER FFF CA  
2681 C C   . SER C 17  ? 0.954 0.543 0.612 -0.039 -0.039 -0.097 18  SER FFF C   
2682 O O   . SER C 17  ? 0.947 0.562 0.641 -0.034 -0.049 -0.109 18  SER FFF O   
2683 C CB  . SER C 17  ? 0.993 0.545 0.627 -0.080 -0.003 -0.089 18  SER FFF CB  
2684 O OG  . SER C 17  ? 1.032 0.552 0.644 -0.105 0.006  -0.082 18  SER FFF OG  
2685 N N   . LEU C 18  ? 0.948 0.531 0.579 -0.028 -0.040 -0.087 19  LEU FFF N   
2686 C CA  . LEU C 18  ? 0.946 0.549 0.582 -0.010 -0.051 -0.086 19  LEU FFF CA  
2687 C C   . LEU C 18  ? 0.935 0.524 0.544 -0.008 -0.042 -0.074 19  LEU FFF C   
2688 O O   . LEU C 18  ? 0.941 0.504 0.520 -0.013 -0.039 -0.065 19  LEU FFF O   
2689 C CB  . LEU C 18  ? 0.967 0.572 0.589 0.002  -0.070 -0.086 19  LEU FFF CB  
2690 C CG  . LEU C 18  ? 0.975 0.602 0.620 0.009  -0.087 -0.097 19  LEU FFF CG  
2691 C CD1 . LEU C 18  ? 0.990 0.617 0.609 0.018  -0.101 -0.097 19  LEU FFF CD1 
2692 C CD2 . LEU C 18  ? 0.973 0.619 0.643 0.015  -0.092 -0.100 19  LEU FFF CD2 
2693 N N   . THR C 19  ? 0.915 0.518 0.537 0.002  -0.043 -0.074 20  THR FFF N   
2694 C CA  . THR C 19  ? 0.919 0.511 0.518 0.006  -0.039 -0.063 20  THR FFF CA  
2695 C C   . THR C 19  ? 0.909 0.508 0.502 0.021  -0.057 -0.056 20  THR FFF C   
2696 O O   . THR C 19  ? 0.906 0.522 0.523 0.028  -0.068 -0.061 20  THR FFF O   
2697 C CB  . THR C 19  ? 0.929 0.525 0.545 0.001  -0.023 -0.070 20  THR FFF CB  
2698 O OG1 . THR C 19  ? 0.943 0.532 0.560 -0.017 -0.005 -0.077 20  THR FFF OG1 
2699 C CG2 . THR C 19  ? 0.929 0.509 0.520 0.005  -0.020 -0.061 20  THR FFF CG2 
2700 N N   . LEU C 20  ? 0.902 0.490 0.464 0.024  -0.061 -0.046 21  LEU FFF N   
2701 C CA  . LEU C 20  ? 0.887 0.480 0.436 0.032  -0.073 -0.037 21  LEU FFF CA  
2702 C C   . LEU C 20  ? 0.883 0.467 0.429 0.035  -0.070 -0.028 21  LEU FFF C   
2703 O O   . LEU C 20  ? 0.877 0.446 0.416 0.030  -0.058 -0.028 21  LEU FFF O   
2704 C CB  . LEU C 20  ? 0.888 0.476 0.413 0.032  -0.075 -0.034 21  LEU FFF CB  
2705 C CG  . LEU C 20  ? 0.888 0.482 0.417 0.030  -0.077 -0.045 21  LEU FFF CG  
2706 C CD1 . LEU C 20  ? 0.884 0.482 0.396 0.033  -0.080 -0.047 21  LEU FFF CD1 
2707 C CD2 . LEU C 20  ? 0.896 0.506 0.442 0.032  -0.087 -0.054 21  LEU FFF CD2 
2708 N N   . SER C 21  ? 0.882 0.471 0.430 0.041  -0.083 -0.022 22  SER FFF N   
2709 C CA  . SER C 21  ? 0.888 0.466 0.433 0.045  -0.085 -0.012 22  SER FFF CA  
2710 C C   . SER C 21  ? 0.899 0.473 0.417 0.044  -0.094 0.003  22  SER FFF C   
2711 O O   . SER C 21  ? 0.901 0.484 0.409 0.044  -0.104 0.005  22  SER FFF O   
2712 C CB  . SER C 21  ? 0.896 0.479 0.471 0.052  -0.096 -0.018 22  SER FFF CB  
2713 O OG  . SER C 21  ? 0.888 0.479 0.492 0.049  -0.082 -0.035 22  SER FFF OG  
2714 N N   . CYS C 22  ? 0.904 0.466 0.410 0.043  -0.089 0.011  23  CYS FFF N   
2715 C CA  . CYS C 22  ? 0.920 0.478 0.405 0.040  -0.095 0.026  23  CYS FFF CA  
2716 C C   . CYS C 22  ? 0.921 0.465 0.413 0.043  -0.103 0.035  23  CYS FFF C   
2717 O O   . CYS C 22  ? 0.923 0.455 0.418 0.044  -0.096 0.033  23  CYS FFF O   
2718 C CB  . CYS C 22  ? 0.939 0.496 0.412 0.035  -0.083 0.026  23  CYS FFF CB  
2719 S SG  . CYS C 22  ? 0.964 0.520 0.423 0.029  -0.085 0.041  23  CYS FFF SG  
2720 N N   . VAL C 23  ? 0.920 0.461 0.412 0.044  -0.121 0.043  24  VAL FFF N   
2721 C CA  . VAL C 23  ? 0.931 0.454 0.434 0.049  -0.136 0.050  24  VAL FFF CA  
2722 C C   . VAL C 23  ? 0.941 0.453 0.417 0.039  -0.142 0.071  24  VAL FFF C   
2723 O O   . VAL C 23  ? 0.960 0.476 0.410 0.031  -0.147 0.081  24  VAL FFF O   
2724 C CB  . VAL C 23  ? 0.948 0.470 0.473 0.057  -0.157 0.046  24  VAL FFF CB  
2725 C CG1 . VAL C 23  ? 0.968 0.470 0.509 0.063  -0.176 0.052  24  VAL FFF CG1 
2726 C CG2 . VAL C 23  ? 0.926 0.467 0.484 0.063  -0.147 0.023  24  VAL FFF CG2 
2727 N N   . ALA C 24  ? 0.930 0.427 0.410 0.039  -0.141 0.076  25  ALA FFF N   
2728 C CA  . ALA C 24  ? 0.954 0.440 0.414 0.028  -0.145 0.095  25  ALA FFF CA  
2729 C C   . ALA C 24  ? 0.977 0.438 0.443 0.029  -0.170 0.108  25  ALA FFF C   
2730 O O   . ALA C 24  ? 0.966 0.421 0.461 0.043  -0.180 0.096  25  ALA FFF O   
2731 C CB  . ALA C 24  ? 0.943 0.428 0.408 0.026  -0.131 0.092  25  ALA FFF CB  
2732 N N   . SER C 25  ? 1.018 0.467 0.457 0.015  -0.181 0.129  26  SER FFF N   
2733 C CA  A SER C 25  ? 1.046 0.463 0.483 0.013  -0.210 0.147  26  SER FFF CA  
2734 C CA  B SER C 25  ? 1.052 0.470 0.490 0.013  -0.210 0.147  26  SER FFF CA  
2735 C C   . SER C 25  ? 1.070 0.475 0.488 -0.005 -0.206 0.166  26  SER FFF C   
2736 O O   . SER C 25  ? 1.047 0.474 0.453 -0.015 -0.181 0.165  26  SER FFF O   
2737 C CB  A SER C 25  ? 1.085 0.491 0.500 0.009  -0.233 0.158  26  SER FFF CB  
2738 C CB  B SER C 25  ? 1.099 0.505 0.515 0.010  -0.234 0.158  26  SER FFF CB  
2739 O OG  A SER C 25  ? 1.104 0.513 0.471 -0.013 -0.226 0.177  26  SER FFF OG  
2740 O OG  B SER C 25  ? 1.092 0.505 0.540 0.028  -0.244 0.139  26  SER FFF OG  
2741 N N   . GLU C 26  ? 1.104 0.477 0.527 -0.007 -0.231 0.181  27  GLU FFF N   
2742 C CA  . GLU C 26  ? 1.141 0.494 0.546 -0.027 -0.234 0.204  27  GLU FFF CA  
2743 C C   . GLU C 26  ? 1.099 0.461 0.529 -0.025 -0.216 0.194  27  GLU FFF C   
2744 O O   . GLU C 26  ? 1.112 0.453 0.542 -0.037 -0.225 0.209  27  GLU FFF O   
2745 C CB  . GLU C 26  ? 1.173 0.536 0.531 -0.053 -0.223 0.222  27  GLU FFF CB  
2746 C CG  . GLU C 26  ? 1.237 0.574 0.560 -0.060 -0.251 0.241  27  GLU FFF CG  
2747 C CD  . GLU C 26  ? 1.295 0.583 0.614 -0.067 -0.287 0.264  27  GLU FFF CD  
2748 O OE1 . GLU C 26  ? 1.357 0.630 0.645 -0.094 -0.284 0.288  27  GLU FFF OE1 
2749 O OE2 . GLU C 26  ? 1.295 0.560 0.644 -0.046 -0.317 0.258  27  GLU FFF OE2 
2750 N N   . SER C 27  ? 1.076 0.463 0.525 -0.011 -0.196 0.171  28  SER FFF N   
2751 C CA  . SER C 27  ? 1.061 0.452 0.530 -0.007 -0.183 0.159  28  SER FFF CA  
2752 C C   . SER C 27  ? 1.030 0.428 0.517 0.013  -0.175 0.134  28  SER FFF C   
2753 O O   . SER C 27  ? 1.009 0.422 0.494 0.020  -0.171 0.124  28  SER FFF O   
2754 C CB  . SER C 27  ? 1.060 0.474 0.520 -0.022 -0.160 0.160  28  SER FFF CB  
2755 O OG  . SER C 27  ? 1.137 0.552 0.573 -0.045 -0.160 0.181  28  SER FFF OG  
2756 N N   . SER C 28  ? 1.012 0.403 0.514 0.019  -0.173 0.123  29  SER FFF N   
2757 C CA  . SER C 28  ? 0.993 0.390 0.502 0.032  -0.161 0.101  29  SER FFF CA  
2758 C C   . SER C 28  ? 0.968 0.385 0.466 0.027  -0.142 0.096  29  SER FFF C   
2759 O O   . SER C 28  ? 0.953 0.372 0.451 0.017  -0.139 0.103  29  SER FFF O   
2760 C CB  . SER C 28  ? 0.997 0.373 0.517 0.040  -0.167 0.091  29  SER FFF CB  
2761 O OG  . SER C 28  ? 0.985 0.365 0.502 0.048  -0.154 0.070  29  SER FFF OG  
2762 N N   . LEU C 29  ? 0.968 0.398 0.462 0.033  -0.130 0.083  30  LEU FFF N   
2763 C CA  . LEU C 29  ? 0.949 0.391 0.435 0.031  -0.116 0.075  30  LEU FFF CA  
2764 C C   . LEU C 29  ? 0.949 0.373 0.433 0.035  -0.116 0.065  30  LEU FFF C   
2765 O O   . LEU C 29  ? 0.953 0.380 0.434 0.032  -0.112 0.062  30  LEU FFF O   
2766 C CB  . LEU C 29  ? 0.955 0.411 0.437 0.035  -0.107 0.065  30  LEU FFF CB  
2767 C CG  . LEU C 29  ? 0.959 0.437 0.437 0.030  -0.105 0.071  30  LEU FFF CG  
2768 C CD1 . LEU C 29  ? 0.956 0.446 0.433 0.034  -0.097 0.059  30  LEU FFF CD1 
2769 C CD2 . LEU C 29  ? 0.953 0.444 0.426 0.020  -0.100 0.077  30  LEU FFF CD2 
2770 N N   . ALA C 30  ? 0.949 0.354 0.435 0.041  -0.122 0.059  31  ALA FFF N   
2771 C CA  . ALA C 30  ? 0.952 0.337 0.425 0.044  -0.120 0.046  31  ALA FFF CA  
2772 C C   . ALA C 30  ? 0.945 0.319 0.411 0.040  -0.126 0.049  31  ALA FFF C   
2773 O O   . ALA C 30  ? 0.932 0.293 0.380 0.040  -0.123 0.041  31  ALA FFF O   
2774 C CB  . ALA C 30  ? 0.967 0.336 0.446 0.051  -0.126 0.038  31  ALA FFF CB  
2775 N N   . PRO C 31  ? 0.933 0.307 0.415 0.036  -0.135 0.059  32  PRO FFF N   
2776 C CA  . PRO C 31  ? 0.937 0.302 0.422 0.033  -0.143 0.058  32  PRO FFF CA  
2777 C C   . PRO C 31  ? 0.913 0.298 0.405 0.030  -0.138 0.056  32  PRO FFF C   
2778 O O   . PRO C 31  ? 0.907 0.284 0.408 0.029  -0.148 0.053  32  PRO FFF O   
2779 C CB  . PRO C 31  ? 0.939 0.305 0.447 0.027  -0.153 0.069  32  PRO FFF CB  
2780 C CG  . PRO C 31  ? 0.946 0.309 0.454 0.029  -0.154 0.076  32  PRO FFF CG  
2781 C CD  . PRO C 31  ? 0.936 0.316 0.434 0.032  -0.142 0.072  32  PRO FFF CD  
2782 N N   . TYR C 32  ? 0.905 0.312 0.395 0.029  -0.126 0.057  33  TYR FFF N   
2783 C CA  . TYR C 32  ? 0.888 0.322 0.394 0.025  -0.120 0.054  33  TYR FFF CA  
2784 C C   . TYR C 32  ? 0.885 0.320 0.378 0.030  -0.114 0.045  33  TYR FFF C   
2785 O O   . TYR C 32  ? 0.878 0.306 0.352 0.032  -0.109 0.044  33  TYR FFF O   
2786 C CB  . TYR C 32  ? 0.886 0.347 0.401 0.017  -0.110 0.064  33  TYR FFF CB  
2787 C CG  . TYR C 32  ? 0.898 0.354 0.425 0.009  -0.117 0.075  33  TYR FFF CG  
2788 C CD1 . TYR C 32  ? 0.909 0.363 0.459 0.006  -0.123 0.071  33  TYR FFF CD1 
2789 C CD2 . TYR C 32  ? 0.920 0.370 0.440 0.005  -0.120 0.088  33  TYR FFF CD2 
2790 C CE1 . TYR C 32  ? 0.922 0.371 0.486 -0.003 -0.130 0.081  33  TYR FFF CE1 
2791 C CE2 . TYR C 32  ? 0.937 0.377 0.469 -0.004 -0.128 0.100  33  TYR FFF CE2 
2792 C CZ  . TYR C 32  ? 0.938 0.379 0.491 -0.008 -0.132 0.096  33  TYR FFF CZ  
2793 O OH  . TYR C 32  ? 0.948 0.379 0.516 -0.019 -0.140 0.107  33  TYR FFF OH  
2794 N N   . ARG C 33  ? 0.877 0.322 0.384 0.030  -0.116 0.037  34  ARG FFF N   
2795 C CA  . ARG C 33  ? 0.883 0.333 0.385 0.033  -0.112 0.028  34  ARG FFF CA  
2796 C C   . ARG C 33  ? 0.882 0.363 0.385 0.030  -0.097 0.030  34  ARG FFF C   
2797 O O   . ARG C 33  ? 0.878 0.381 0.391 0.024  -0.091 0.036  34  ARG FFF O   
2798 C CB  . ARG C 33  ? 0.879 0.333 0.406 0.035  -0.122 0.016  34  ARG FFF CB  
2799 C CG  . ARG C 33  ? 0.859 0.352 0.423 0.031  -0.115 0.011  34  ARG FFF CG  
2800 C CD  . ARG C 33  ? 0.858 0.351 0.457 0.036  -0.129 -0.004 34  ARG FFF CD  
2801 N NE  . ARG C 33  ? 0.846 0.384 0.485 0.031  -0.116 -0.017 34  ARG FFF NE  
2802 C CZ  . ARG C 33  ? 0.843 0.398 0.523 0.036  -0.122 -0.038 34  ARG FFF CZ  
2803 N NH1 . ARG C 33  ? 0.849 0.373 0.533 0.047  -0.146 -0.047 34  ARG FFF NH1 
2804 N NH2 . ARG C 33  ? 0.828 0.429 0.544 0.030  -0.104 -0.052 34  ARG FFF NH2 
2805 N N   . VAL C 34  ? 0.894 0.374 0.384 0.032  -0.093 0.025  35  VAL FFF N   
2806 C CA  . VAL C 34  ? 0.880 0.385 0.369 0.031  -0.083 0.024  35  VAL FFF CA  
2807 C C   . VAL C 34  ? 0.890 0.397 0.382 0.034  -0.083 0.011  35  VAL FFF C   
2808 O O   . VAL C 34  ? 0.889 0.368 0.371 0.035  -0.091 0.009  35  VAL FFF O   
2809 C CB  . VAL C 34  ? 0.884 0.383 0.359 0.031  -0.080 0.031  35  VAL FFF CB  
2810 C CG1 . VAL C 34  ? 0.884 0.407 0.358 0.030  -0.075 0.031  35  VAL FFF CG1 
2811 C CG2 . VAL C 34  ? 0.884 0.371 0.357 0.030  -0.085 0.041  35  VAL FFF CG2 
2812 N N   . ALA C 35  ? 0.873 0.408 0.374 0.033  -0.077 0.004  36  ALA FFF N   
2813 C CA  . ALA C 35  ? 0.869 0.406 0.377 0.036  -0.079 -0.011 36  ALA FFF CA  
2814 C C   . ALA C 35  ? 0.863 0.419 0.363 0.035  -0.071 -0.013 36  ALA FFF C   
2815 O O   . ALA C 35  ? 0.854 0.428 0.347 0.031  -0.065 -0.007 36  ALA FFF O   
2816 C CB  . ALA C 35  ? 0.864 0.419 0.400 0.039  -0.081 -0.025 36  ALA FFF CB  
2817 N N   . TRP C 36  ? 0.868 0.416 0.369 0.037  -0.075 -0.022 37  TRP FFF N   
2818 C CA  . TRP C 36  ? 0.870 0.438 0.370 0.037  -0.071 -0.031 37  TRP FFF CA  
2819 C C   . TRP C 36  ? 0.883 0.467 0.402 0.041  -0.073 -0.050 37  TRP FFF C   
2820 O O   . TRP C 36  ? 0.887 0.454 0.421 0.045  -0.083 -0.058 37  TRP FFF O   
2821 C CB  . TRP C 36  ? 0.881 0.431 0.375 0.036  -0.074 -0.030 37  TRP FFF CB  
2822 C CG  . TRP C 36  ? 0.892 0.437 0.376 0.034  -0.070 -0.018 37  TRP FFF CG  
2823 C CD1 . TRP C 36  ? 0.901 0.423 0.377 0.031  -0.069 -0.011 37  TRP FFF CD1 
2824 C CD2 . TRP C 36  ? 0.891 0.454 0.374 0.034  -0.068 -0.016 37  TRP FFF CD2 
2825 N NE1 . TRP C 36  ? 0.908 0.436 0.384 0.030  -0.064 -0.006 37  TRP FFF NE1 
2826 C CE2 . TRP C 36  ? 0.890 0.441 0.372 0.033  -0.066 -0.008 37  TRP FFF CE2 
2827 C CE3 . TRP C 36  ? 0.895 0.480 0.375 0.034  -0.070 -0.020 37  TRP FFF CE3 
2828 C CZ2 . TRP C 36  ? 0.900 0.462 0.388 0.034  -0.069 -0.006 37  TRP FFF CZ2 
2829 C CZ3 . TRP C 36  ? 0.898 0.489 0.376 0.034  -0.074 -0.014 37  TRP FFF CZ3 
2830 C CH2 . TRP C 36  ? 0.894 0.474 0.379 0.035  -0.075 -0.007 37  TRP FFF CH2 
2831 N N   . PHE C 37  ? 0.872 0.487 0.390 0.039  -0.064 -0.059 38  PHE FFF N   
2832 C CA  . PHE C 37  ? 0.874 0.512 0.411 0.043  -0.062 -0.083 38  PHE FFF CA  
2833 C C   . PHE C 37  ? 0.886 0.532 0.411 0.043  -0.063 -0.091 38  PHE FFF C   
2834 O O   . PHE C 37  ? 0.875 0.514 0.379 0.039  -0.064 -0.077 38  PHE FFF O   
2835 C CB  . PHE C 37  ? 0.889 0.558 0.430 0.037  -0.048 -0.090 38  PHE FFF CB  
2836 C CG  . PHE C 37  ? 0.883 0.551 0.447 0.038  -0.048 -0.090 38  PHE FFF CG  
2837 C CD1 . PHE C 37  ? 0.882 0.533 0.435 0.033  -0.049 -0.068 38  PHE FFF CD1 
2838 C CD2 . PHE C 37  ? 0.886 0.571 0.489 0.043  -0.049 -0.115 38  PHE FFF CD2 
2839 C CE1 . PHE C 37  ? 0.873 0.524 0.450 0.034  -0.051 -0.068 38  PHE FFF CE1 
2840 C CE2 . PHE C 37  ? 0.880 0.566 0.511 0.044  -0.051 -0.117 38  PHE FFF CE2 
2841 C CZ  . PHE C 37  ? 0.873 0.542 0.490 0.039  -0.053 -0.093 38  PHE FFF CZ  
2842 N N   . ARG C 38  ? 0.899 0.559 0.439 0.047  -0.064 -0.115 39  ARG FFF N   
2843 C CA  . ARG C 38  ? 0.911 0.583 0.440 0.047  -0.065 -0.127 39  ARG FFF CA  
2844 C C   . ARG C 38  ? 0.931 0.634 0.473 0.049  -0.057 -0.156 39  ARG FFF C   
2845 O O   . ARG C 38  ? 0.924 0.632 0.498 0.055  -0.057 -0.172 39  ARG FFF O   
2846 C CB  . ARG C 38  ? 0.901 0.547 0.438 0.051  -0.079 -0.126 39  ARG FFF CB  
2847 C CG  . ARG C 38  ? 0.906 0.536 0.472 0.058  -0.091 -0.143 39  ARG FFF CG  
2848 C CD  . ARG C 38  ? 0.918 0.517 0.486 0.056  -0.104 -0.137 39  ARG FFF CD  
2849 N NE  . ARG C 38  ? 0.941 0.513 0.531 0.061  -0.121 -0.148 39  ARG FFF NE  
2850 C CZ  . ARG C 38  ? 0.972 0.508 0.561 0.056  -0.134 -0.141 39  ARG FFF CZ  
2851 N NH1 . ARG C 38  ? 0.972 0.500 0.544 0.046  -0.128 -0.125 39  ARG FFF NH1 
2852 N NH2 . ARG C 38  ? 1.000 0.508 0.607 0.060  -0.154 -0.149 39  ARG FFF NH2 
2853 N N   . GLN C 39  ? 0.969 0.691 0.488 0.045  -0.052 -0.164 40  GLN FFF N   
2854 C CA  . GLN C 39  ? 1.015 0.769 0.535 0.045  -0.041 -0.195 40  GLN FFF CA  
2855 C C   . GLN C 39  ? 1.036 0.790 0.540 0.046  -0.051 -0.205 40  GLN FFF C   
2856 O O   . GLN C 39  ? 1.014 0.761 0.483 0.039  -0.054 -0.186 40  GLN FFF O   
2857 C CB  . GLN C 39  ? 1.053 0.835 0.547 0.031  -0.020 -0.191 40  GLN FFF CB  
2858 C CG  . GLN C 39  ? 1.108 0.926 0.594 0.026  -0.003 -0.224 40  GLN FFF CG  
2859 C CD  . GLN C 39  ? 1.149 0.997 0.624 0.011  0.023  -0.226 40  GLN FFF CD  
2860 O OE1 . GLN C 39  ? 1.173 1.012 0.621 -0.001 0.027  -0.196 40  GLN FFF OE1 
2861 N NE2 . GLN C 39  ? 1.181 1.066 0.678 0.010  0.040  -0.263 40  GLN FFF NE2 
2862 N N   . ALA C 40  ? 1.078 0.835 0.609 0.055  -0.058 -0.235 41  ALA FFF N   
2863 C CA  . ALA C 40  ? 1.118 0.881 0.637 0.057  -0.066 -0.255 41  ALA FFF CA  
2864 C C   . ALA C 40  ? 1.176 0.977 0.677 0.052  -0.046 -0.282 41  ALA FFF C   
2865 O O   . ALA C 40  ? 1.177 1.000 0.700 0.052  -0.031 -0.299 41  ALA FFF O   
2866 C CB  . ALA C 40  ? 1.102 0.847 0.661 0.069  -0.084 -0.273 41  ALA FFF CB  
2867 N N   . PRO C 41  ? 1.242 1.052 0.701 0.045  -0.046 -0.289 42  PRO FFF N   
2868 C CA  . PRO C 41  ? 1.301 1.147 0.733 0.036  -0.025 -0.316 42  PRO FFF CA  
2869 C C   . PRO C 41  ? 1.340 1.208 0.823 0.048  -0.020 -0.361 42  PRO FFF C   
2870 O O   . PRO C 41  ? 1.339 1.190 0.857 0.062  -0.041 -0.375 42  PRO FFF O   
2871 C CB  . PRO C 41  ? 1.325 1.165 0.705 0.030  -0.036 -0.314 42  PRO FFF CB  
2872 C CG  . PRO C 41  ? 1.292 1.099 0.697 0.041  -0.065 -0.301 42  PRO FFF CG  
2873 C CD  . PRO C 41  ? 1.243 1.031 0.681 0.045  -0.067 -0.274 42  PRO FFF CD  
2874 N N   . GLY C 42  ? 0.976 1.264 0.997 -0.047 0.010  -0.273 43  GLY FFF N   
2875 C CA  . GLY C 42  ? 1.000 1.280 1.041 -0.054 0.039  -0.293 43  GLY FFF CA  
2876 C C   . GLY C 42  ? 1.018 1.282 1.089 -0.031 0.044  -0.282 43  GLY FFF C   
2877 O O   . GLY C 42  ? 1.021 1.288 1.108 -0.032 0.058  -0.293 43  GLY FFF O   
2878 N N   . LYS C 43  ? 1.030 1.281 1.110 -0.014 0.032  -0.265 44  LYS FFF N   
2879 C CA  . LYS C 43  ? 1.018 1.252 1.117 0.004  0.031  -0.250 44  LYS FFF CA  
2880 C C   . LYS C 43  ? 0.998 1.235 1.076 0.006  0.018  -0.232 44  LYS FFF C   
2881 O O   . LYS C 43  ? 1.007 1.243 1.061 0.003  0.006  -0.224 44  LYS FFF O   
2882 C CB  . LYS C 43  ? 1.030 1.239 1.134 0.010  0.032  -0.244 44  LYS FFF CB  
2883 C CG  . LYS C 43  ? 1.063 1.253 1.176 0.003  0.050  -0.263 44  LYS FFF CG  
2884 C CD  . LYS C 43  ? 1.082 1.244 1.186 -0.005 0.055  -0.262 44  LYS FFF CD  
2885 C CE  . LYS C 43  ? 1.122 1.255 1.224 -0.019 0.078  -0.284 44  LYS FFF CE  
2886 N NZ  . LYS C 43  ? 1.160 1.255 1.241 -0.035 0.089  -0.285 44  LYS FFF NZ  
2887 N N   . GLU C 44  ? 0.967 1.208 1.056 0.012  0.018  -0.227 45  GLU FFF N   
2888 C CA  . GLU C 44  ? 0.972 1.213 1.037 0.006  0.012  -0.215 45  GLU FFF CA  
2889 C C   . GLU C 44  ? 0.902 1.121 0.955 0.012  0.003  -0.197 45  GLU FFF C   
2890 O O   . GLU C 44  ? 0.870 1.078 0.935 0.019  0.003  -0.196 45  GLU FFF O   
2891 C CB  . GLU C 44  ? 1.013 1.281 1.103 0.006  0.015  -0.221 45  GLU FFF CB  
2892 C CG  . GLU C 44  ? 1.069 1.367 1.173 -0.007 0.030  -0.246 45  GLU FFF CG  
2893 C CD  . GLU C 44  ? 1.130 1.437 1.279 0.007  0.040  -0.265 45  GLU FFF CD  
2894 O OE1 . GLU C 44  ? 1.173 1.478 1.360 0.033  0.032  -0.260 45  GLU FFF OE1 
2895 O OE2 . GLU C 44  ? 1.180 1.491 1.322 -0.009 0.056  -0.285 45  GLU FFF OE2 
2896 N N   . ARG C 45  ? 0.861 1.069 0.885 0.004  0.001  -0.188 46  ARG FFF N   
2897 C CA  . ARG C 45  ? 0.849 1.035 0.860 0.006  -0.001 -0.176 46  ARG FFF CA  
2898 C C   . ARG C 45  ? 0.793 0.983 0.820 0.006  -0.002 -0.171 46  ARG FFF C   
2899 O O   . ARG C 45  ? 0.798 1.010 0.839 0.007  -0.006 -0.172 46  ARG FFF O   
2900 C CB  . ARG C 45  ? 0.876 1.042 0.849 -0.007 0.002  -0.171 46  ARG FFF CB  
2901 C CG  . ARG C 45  ? 0.927 1.058 0.878 0.003  -0.001 -0.165 46  ARG FFF CG  
2902 C CD  . ARG C 45  ? 0.985 1.076 0.883 -0.011 0.005  -0.159 46  ARG FFF CD  
2903 N NE  . ARG C 45  ? 1.036 1.085 0.913 0.007  -0.004 -0.151 46  ARG FFF NE  
2904 C CZ  . ARG C 45  ? 1.101 1.093 0.919 0.002  -0.004 -0.141 46  ARG FFF CZ  
2905 N NH1 . ARG C 45  ? 1.140 1.113 0.911 -0.030 0.010  -0.142 46  ARG FFF NH1 
2906 N NH2 . ARG C 45  ? 1.136 1.087 0.941 0.029  -0.020 -0.131 46  ARG FFF NH2 
2907 N N   . GLU C 46  ? 0.739 0.910 0.762 0.005  -0.000 -0.167 47  GLU FFF N   
2908 C CA  . GLU C 46  ? 0.724 0.884 0.738 -0.002 -0.003 -0.158 47  GLU FFF CA  
2909 C C   . GLU C 46  ? 0.702 0.839 0.691 -0.018 0.007  -0.158 47  GLU FFF C   
2910 O O   . GLU C 46  ? 0.679 0.811 0.678 -0.014 0.017  -0.169 47  GLU FFF O   
2911 C CB  . GLU C 46  ? 0.737 0.883 0.762 0.005  -0.006 -0.157 47  GLU FFF CB  
2912 C CG  . GLU C 46  ? 0.750 0.882 0.776 -0.001 0.007  -0.169 47  GLU FFF CG  
2913 C CD  . GLU C 46  ? 0.806 0.901 0.814 -0.011 0.012  -0.166 47  GLU FFF CD  
2914 O OE1 . GLU C 46  ? 0.853 0.926 0.845 -0.007 -0.001 -0.149 47  GLU FFF OE1 
2915 O OE2 . GLU C 46  ? 0.797 0.886 0.807 -0.023 0.027  -0.182 47  GLU FFF OE2 
2916 N N   . GLY C 47  ? 1.053 0.428 0.460 0.043  -0.073 -0.086 48  GLY FFF N   
2917 C CA  . GLY C 47  ? 1.011 0.378 0.424 0.042  -0.076 -0.069 48  GLY FFF CA  
2918 C C   . GLY C 47  ? 1.004 0.362 0.434 0.044  -0.086 -0.066 48  GLY FFF C   
2919 O O   . GLY C 47  ? 1.032 0.386 0.477 0.046  -0.091 -0.075 48  GLY FFF O   
2920 N N   . VAL C 48  ? 0.992 0.348 0.419 0.042  -0.091 -0.055 49  VAL FFF N   
2921 C CA  . VAL C 48  ? 0.973 0.328 0.417 0.041  -0.101 -0.051 49  VAL FFF CA  
2922 C C   . VAL C 48  ? 0.947 0.305 0.404 0.040  -0.098 -0.040 49  VAL FFF C   
2923 O O   . VAL C 48  ? 0.931 0.288 0.407 0.037  -0.101 -0.038 49  VAL FFF O   
2924 C CB  . VAL C 48  ? 0.981 0.337 0.414 0.040  -0.109 -0.050 49  VAL FFF CB  
2925 C CG1 . VAL C 48  ? 0.968 0.329 0.417 0.036  -0.117 -0.046 49  VAL FFF CG1 
2926 C CG2 . VAL C 48  ? 0.999 0.352 0.418 0.040  -0.112 -0.061 49  VAL FFF CG2 
2927 N N   . SER C 49  ? 0.947 0.308 0.395 0.041  -0.094 -0.032 50  SER FFF N   
2928 C CA  . SER C 49  ? 0.920 0.287 0.381 0.040  -0.093 -0.023 50  SER FFF CA  
2929 C C   . SER C 49  ? 0.922 0.288 0.369 0.042  -0.087 -0.017 50  SER FFF C   
2930 O O   . SER C 49  ? 0.923 0.283 0.349 0.042  -0.087 -0.018 50  SER FFF O   
2931 C CB  . SER C 49  ? 0.913 0.289 0.381 0.039  -0.101 -0.020 50  SER FFF CB  
2932 O OG  . SER C 49  ? 0.931 0.307 0.384 0.043  -0.107 -0.021 50  SER FFF OG  
2933 N N   . CYS C 50  ? 0.903 0.273 0.361 0.042  -0.082 -0.011 51  CYS FFF N   
2934 C CA  . CYS C 50  ? 0.909 0.275 0.356 0.043  -0.077 -0.005 51  CYS FFF CA  
2935 C C   . CYS C 50  ? 0.888 0.262 0.349 0.044  -0.079 0.001  51  CYS FFF C   
2936 O O   . CYS C 50  ? 0.847 0.231 0.328 0.042  -0.078 0.002  51  CYS FFF O   
2937 C CB  . CYS C 50  ? 0.914 0.280 0.359 0.040  -0.067 -0.007 51  CYS FFF CB  
2938 S SG  . CYS C 50  ? 0.929 0.289 0.354 0.037  -0.061 0.000  51  CYS FFF SG  
2939 N N   . ILE C 51  ? 0.896 0.267 0.347 0.048  -0.084 0.005  52  ILE FFF N   
2940 C CA  . ILE C 51  ? 0.895 0.276 0.359 0.051  -0.086 0.008  52  ILE FFF CA  
2941 C C   . ILE C 51  ? 0.893 0.263 0.345 0.051  -0.082 0.013  52  ILE FFF C   
2942 O O   . ILE C 51  ? 0.918 0.272 0.347 0.050  -0.084 0.015  52  ILE FFF O   
2943 C CB  . ILE C 51  ? 0.907 0.296 0.373 0.057  -0.098 0.004  52  ILE FFF CB  
2944 C CG1 . ILE C 51  ? 0.884 0.293 0.370 0.059  -0.099 0.004  52  ILE FFF CG1 
2945 C CG2 . ILE C 51  ? 0.941 0.313 0.385 0.062  -0.106 0.005  52  ILE FFF CG2 
2946 C CD1 . ILE C 51  ? 0.877 0.305 0.372 0.064  -0.110 -0.003 52  ILE FFF CD1 
2947 N N   . SER C 52  ? 0.858 0.237 0.324 0.051  -0.077 0.016  53  SER FFF N   
2948 C CA  . SER C 52  ? 0.847 0.218 0.305 0.049  -0.073 0.021  53  SER FFF CA  
2949 C C   . SER C 52  ? 0.855 0.222 0.311 0.056  -0.083 0.021  53  SER FFF C   
2950 O O   . SER C 52  ? 0.842 0.220 0.307 0.062  -0.092 0.016  53  SER FFF O   
2951 C CB  . SER C 52  ? 0.819 0.201 0.294 0.046  -0.063 0.023  53  SER FFF CB  
2952 O OG  . SER C 52  ? 0.810 0.192 0.286 0.042  -0.056 0.021  53  SER FFF OG  
2953 N N   . ARG C 53  ? 0.865 0.221 0.312 0.055  -0.083 0.025  54  ARG FFF N   
2954 C CA  . ARG C 53  ? 0.892 0.239 0.334 0.063  -0.095 0.024  54  ARG FFF CA  
2955 C C   . ARG C 53  ? 0.864 0.238 0.334 0.070  -0.096 0.018  54  ARG FFF C   
2956 O O   . ARG C 53  ? 0.868 0.244 0.341 0.080  -0.109 0.011  54  ARG FFF O   
2957 C CB  . ARG C 53  ? 0.930 0.256 0.355 0.059  -0.095 0.031  54  ARG FFF CB  
2958 C CG  . ARG C 53  ? 0.925 0.262 0.364 0.055  -0.084 0.033  54  ARG FFF CG  
2959 C CD  . ARG C 53  ? 0.966 0.280 0.383 0.047  -0.084 0.040  54  ARG FFF CD  
2960 N NE  . ARG C 53  ? 0.956 0.280 0.386 0.045  -0.076 0.042  54  ARG FFF NE  
2961 C CZ  . ARG C 53  ? 0.994 0.304 0.410 0.037  -0.074 0.048  54  ARG FFF CZ  
2962 N NH1 . ARG C 53  ? 1.032 0.317 0.419 0.029  -0.080 0.054  54  ARG FFF NH1 
2963 N NH2 . ARG C 53  ? 0.955 0.276 0.384 0.036  -0.067 0.049  54  ARG FFF NH2 
2964 N N   . ASP C 54  ? 0.842 0.236 0.329 0.064  -0.085 0.019  55  ASP FFF N   
2965 C CA  . ASP C 54  ? 0.823 0.246 0.335 0.067  -0.084 0.014  55  ASP FFF CA  
2966 C C   . ASP C 54  ? 0.807 0.252 0.331 0.067  -0.089 0.008  55  ASP FFF C   
2967 O O   . ASP C 54  ? 0.783 0.256 0.324 0.068  -0.090 0.003  55  ASP FFF O   
2968 C CB  . ASP C 54  ? 0.812 0.246 0.336 0.059  -0.072 0.019  55  ASP FFF CB  
2969 C CG  . ASP C 54  ? 0.809 0.244 0.336 0.051  -0.064 0.024  55  ASP FFF CG  
2970 O OD1 . ASP C 54  ? 0.814 0.237 0.331 0.050  -0.066 0.023  55  ASP FFF OD1 
2971 O OD2 . ASP C 54  ? 0.786 0.234 0.327 0.046  -0.057 0.028  55  ASP FFF OD2 
2972 N N   . ALA C 55  ? 0.814 0.249 0.329 0.066  -0.090 0.009  56  ALA FFF N   
2973 C CA  . ALA C 55  ? 0.811 0.264 0.335 0.065  -0.095 0.004  56  ALA FFF CA  
2974 C C   . ALA C 55  ? 0.793 0.274 0.338 0.056  -0.089 0.005  56  ALA FFF C   
2975 O O   . ALA C 55  ? 0.799 0.308 0.357 0.056  -0.094 -0.001 56  ALA FFF O   
2976 C CB  . ALA C 55  ? 0.837 0.298 0.361 0.076  -0.108 -0.006 56  ALA FFF CB  
2977 N N   . HIS C 56  ? 0.769 0.245 0.316 0.049  -0.080 0.012  57  HIS FFF N   
2978 C CA  . HIS C 56  ? 0.746 0.243 0.311 0.038  -0.076 0.016  57  HIS FFF CA  
2979 C C   . HIS C 56  ? 0.747 0.236 0.311 0.031  -0.076 0.020  57  HIS FFF C   
2980 O O   . HIS C 56  ? 0.758 0.223 0.311 0.033  -0.075 0.020  57  HIS FFF O   
2981 C CB  . HIS C 56  ? 0.728 0.225 0.298 0.036  -0.068 0.022  57  HIS FFF CB  
2982 C CG  . HIS C 56  ? 0.708 0.231 0.294 0.026  -0.067 0.026  57  HIS FFF CG  
2983 N ND1 . HIS C 56  ? 0.702 0.221 0.293 0.015  -0.065 0.033  57  HIS FFF ND1 
2984 C CD2 . HIS C 56  ? 0.697 0.252 0.295 0.024  -0.068 0.022  57  HIS FFF CD2 
2985 C CE1 . HIS C 56  ? 0.693 0.238 0.296 0.006  -0.066 0.037  57  HIS FFF CE1 
2986 N NE2 . HIS C 56  ? 0.685 0.256 0.293 0.010  -0.067 0.029  57  HIS FFF NE2 
2987 N N   . PRO C 57  ? 0.754 0.262 0.330 0.020  -0.080 0.021  58  PRO FFF N   
2988 C CA  . PRO C 57  ? 0.765 0.260 0.341 0.012  -0.082 0.025  58  PRO FFF CA  
2989 C C   . PRO C 57  ? 0.771 0.242 0.344 0.012  -0.078 0.030  58  PRO FFF C   
2990 O O   . PRO C 57  ? 0.779 0.231 0.347 0.012  -0.080 0.028  58  PRO FFF O   
2991 C CB  . PRO C 57  ? 0.763 0.284 0.352 -0.002 -0.086 0.029  58  PRO FFF CB  
2992 C CG  . PRO C 57  ? 0.755 0.310 0.351 0.000  -0.087 0.023  58  PRO FFF CG  
2993 C CD  . PRO C 57  ? 0.742 0.286 0.332 0.015  -0.082 0.019  58  PRO FFF CD  
2994 N N   . THR C 58  ? 0.769 0.242 0.347 0.013  -0.071 0.034  59  THR FFF N   
2995 C CA  . THR C 58  ? 0.780 0.234 0.358 0.013  -0.067 0.037  59  THR FFF CA  
2996 C C   . THR C 58  ? 0.791 0.227 0.356 0.023  -0.062 0.032  59  THR FFF C   
2997 O O   . THR C 58  ? 0.824 0.247 0.389 0.024  -0.060 0.031  59  THR FFF O   
2998 C CB  . THR C 58  ? 0.765 0.230 0.352 0.010  -0.063 0.044  59  THR FFF CB  
2999 O OG1 . THR C 58  ? 0.744 0.216 0.326 0.017  -0.057 0.041  59  THR FFF OG1 
3000 C CG2 . THR C 58  ? 0.756 0.242 0.355 -0.003 -0.068 0.050  59  THR FFF CG2 
3001 N N   . SER C 59  ? 0.788 0.223 0.341 0.029  -0.061 0.028  60  SER FFF N   
3002 C CA  . SER C 59  ? 0.790 0.209 0.327 0.034  -0.057 0.024  60  SER FFF CA  
3003 C C   . SER C 59  ? 0.817 0.228 0.341 0.037  -0.063 0.019  60  SER FFF C   
3004 O O   . SER C 59  ? 0.803 0.202 0.310 0.040  -0.061 0.017  60  SER FFF O   
3005 C CB  . SER C 59  ? 0.795 0.214 0.324 0.038  -0.054 0.026  60  SER FFF CB  
3006 O OG  . SER C 59  ? 0.791 0.220 0.321 0.041  -0.061 0.024  60  SER FFF OG  
3007 N N   . THR C 60  ? 0.819 0.238 0.352 0.033  -0.070 0.018  61  THR FFF N   
3008 C CA  . THR C 60  ? 0.834 0.247 0.358 0.035  -0.076 0.012  61  THR FFF CA  
3009 C C   . THR C 60  ? 0.847 0.250 0.375 0.031  -0.078 0.010  61  THR FFF C   
3010 O O   . THR C 60  ? 0.843 0.251 0.385 0.025  -0.080 0.014  61  THR FFF O   
3011 C CB  . THR C 60  ? 0.832 0.263 0.362 0.033  -0.084 0.011  61  THR FFF CB  
3012 O OG1 . THR C 60  ? 0.824 0.264 0.354 0.038  -0.084 0.012  61  THR FFF OG1 
3013 C CG2 . THR C 60  ? 0.842 0.268 0.362 0.035  -0.091 0.006  61  THR FFF CG2 
3014 N N   . TYR C 61  ? 0.870 0.261 0.385 0.034  -0.077 0.003  62  TYR FFF N   
3015 C CA  . TYR C 61  ? 0.877 0.257 0.396 0.034  -0.079 -0.002 62  TYR FFF CA  
3016 C C   . TYR C 61  ? 0.904 0.279 0.416 0.033  -0.086 -0.009 62  TYR FFF C   
3017 O O   . TYR C 61  ? 0.891 0.268 0.390 0.036  -0.087 -0.011 62  TYR FFF O   
3018 C CB  . TYR C 61  ? 0.883 0.258 0.396 0.038  -0.071 -0.007 62  TYR FFF CB  
3019 C CG  . TYR C 61  ? 0.866 0.246 0.388 0.038  -0.064 -0.002 62  TYR FFF CG  
3020 C CD1 . TYR C 61  ? 0.860 0.238 0.398 0.037  -0.066 -0.002 62  TYR FFF CD1 
3021 C CD2 . TYR C 61  ? 0.844 0.229 0.359 0.038  -0.057 0.003  62  TYR FFF CD2 
3022 C CE1 . TYR C 61  ? 0.852 0.235 0.399 0.037  -0.061 0.003  62  TYR FFF CE1 
3023 C CE2 . TYR C 61  ? 0.839 0.230 0.362 0.038  -0.052 0.008  62  TYR FFF CE2 
3024 C CZ  . TYR C 61  ? 0.841 0.232 0.381 0.037  -0.053 0.008  62  TYR FFF CZ  
3025 O OH  . TYR C 61  ? 0.838 0.235 0.387 0.037  -0.048 0.013  62  TYR FFF OH  
3026 N N   . TYR C 62  ? 0.926 0.294 0.447 0.031  -0.093 -0.013 63  TYR FFF N   
3027 C CA  . TYR C 62  ? 0.941 0.303 0.457 0.030  -0.101 -0.021 63  TYR FFF CA  
3028 C C   . TYR C 62  ? 0.950 0.297 0.469 0.033  -0.104 -0.031 63  TYR FFF C   
3029 O O   . TYR C 62  ? 0.953 0.294 0.485 0.032  -0.106 -0.029 63  TYR FFF O   
3030 C CB  . TYR C 62  ? 0.939 0.306 0.463 0.020  -0.111 -0.015 63  TYR FFF CB  
3031 C CG  . TYR C 62  ? 0.914 0.300 0.438 0.018  -0.109 -0.009 63  TYR FFF CG  
3032 C CD1 . TYR C 62  ? 0.919 0.312 0.433 0.022  -0.111 -0.012 63  TYR FFF CD1 
3033 C CD2 . TYR C 62  ? 0.905 0.303 0.441 0.014  -0.106 -0.000 63  TYR FFF CD2 
3034 C CE1 . TYR C 62  ? 0.916 0.327 0.432 0.022  -0.112 -0.009 63  TYR FFF CE1 
3035 C CE2 . TYR C 62  ? 0.894 0.313 0.431 0.014  -0.106 0.003  63  TYR FFF CE2 
3036 C CZ  . TYR C 62  ? 0.890 0.315 0.418 0.019  -0.109 -0.002 63  TYR FFF CZ  
3037 O OH  . TYR C 62  ? 0.888 0.334 0.419 0.021  -0.110 -0.002 63  TYR FFF OH  
3038 N N   . THR C 63  ? 0.980 0.323 0.488 0.036  -0.105 -0.042 64  THR FFF N   
3039 C CA  A THR C 63  ? 0.993 0.324 0.506 0.041  -0.110 -0.056 64  THR FFF CA  
3040 C CA  B THR C 63  ? 1.005 0.336 0.518 0.041  -0.110 -0.055 64  THR FFF CA  
3041 C C   . THR C 63  ? 1.011 0.329 0.537 0.035  -0.125 -0.053 64  THR FFF C   
3042 O O   . THR C 63  ? 0.998 0.320 0.524 0.026  -0.129 -0.044 64  THR FFF O   
3043 C CB  A THR C 63  ? 1.004 0.337 0.501 0.045  -0.109 -0.068 64  THR FFF CB  
3044 C CB  B THR C 63  ? 1.029 0.364 0.526 0.046  -0.106 -0.068 64  THR FFF CB  
3045 O OG1 A THR C 63  ? 0.996 0.323 0.498 0.051  -0.111 -0.084 64  THR FFF OG1 
3046 O OG1 B THR C 63  ? 1.043 0.379 0.529 0.041  -0.111 -0.066 64  THR FFF OG1 
3047 C CG2 A THR C 63  ? 1.009 0.340 0.500 0.039  -0.118 -0.067 64  THR FFF CG2 
3048 C CG2 B THR C 63  ? 1.022 0.369 0.506 0.049  -0.093 -0.069 64  THR FFF CG2 
3049 N N   . ALA C 64  ? 1.033 0.336 0.570 0.038  -0.132 -0.062 65  ALA FFF N   
3050 C CA  . ALA C 64  ? 1.070 0.353 0.618 0.031  -0.149 -0.058 65  ALA FFF CA  
3051 C C   . ALA C 64  ? 1.069 0.350 0.610 0.022  -0.158 -0.057 65  ALA FFF C   
3052 O O   . ALA C 64  ? 1.080 0.357 0.628 0.009  -0.167 -0.045 65  ALA FFF O   
3053 C CB  . ALA C 64  ? 1.082 0.347 0.640 0.041  -0.158 -0.073 65  ALA FFF CB  
3054 N N   . SER C 65  ? 1.068 0.354 0.598 0.027  -0.155 -0.069 66  SER FFF N   
3055 C CA  . SER C 65  ? 1.080 0.362 0.605 0.021  -0.165 -0.072 66  SER FFF CA  
3056 C C   . SER C 65  ? 1.061 0.360 0.583 0.010  -0.163 -0.058 66  SER FFF C   
3057 O O   . SER C 65  ? 1.033 0.330 0.554 0.000  -0.173 -0.058 66  SER FFF O   
3058 C CB  . SER C 65  ? 1.091 0.375 0.603 0.030  -0.161 -0.089 66  SER FFF CB  
3059 O OG  . SER C 65  ? 1.091 0.394 0.590 0.034  -0.147 -0.087 66  SER FFF OG  
3060 N N   . VAL C 66  ? 1.024 0.340 0.544 0.011  -0.152 -0.049 67  VAL FFF N   
3061 C CA  . VAL C 66  ? 1.039 0.377 0.556 0.004  -0.150 -0.040 67  VAL FFF CA  
3062 C C   . VAL C 66  ? 1.049 0.397 0.578 -0.005 -0.150 -0.026 67  VAL FFF C   
3063 O O   . VAL C 66  ? 1.028 0.398 0.558 -0.012 -0.150 -0.020 67  VAL FFF O   
3064 C CB  . VAL C 66  ? 1.017 0.367 0.521 0.014  -0.140 -0.043 67  VAL FFF CB  
3065 C CG1 . VAL C 66  ? 1.019 0.359 0.508 0.021  -0.139 -0.056 67  VAL FFF CG1 
3066 C CG2 . VAL C 66  ? 1.002 0.356 0.506 0.020  -0.129 -0.037 67  VAL FFF CG2 
3067 N N   . LYS C 67  ? 1.092 0.429 0.630 -0.005 -0.149 -0.022 68  LYS FFF N   
3068 C CA  . LYS C 67  ? 1.104 0.451 0.652 -0.015 -0.149 -0.008 68  LYS FFF CA  
3069 C C   . LYS C 67  ? 1.090 0.446 0.643 -0.033 -0.160 -0.001 68  LYS FFF C   
3070 O O   . LYS C 67  ? 1.093 0.429 0.645 -0.040 -0.173 -0.003 68  LYS FFF O   
3071 C CB  . LYS C 67  ? 1.175 0.504 0.730 -0.012 -0.150 -0.006 68  LYS FFF CB  
3072 C CG  . LYS C 67  ? 1.202 0.534 0.755 0.002  -0.137 -0.010 68  LYS FFF CG  
3073 C CD  . LYS C 67  ? 1.261 0.580 0.824 0.005  -0.138 -0.009 68  LYS FFF CD  
3074 C CE  . LYS C 67  ? 1.322 0.655 0.892 -0.001 -0.133 0.005  68  LYS FFF CE  
3075 N NZ  . LYS C 67  ? 1.364 0.683 0.944 0.001  -0.138 0.008  68  LYS FFF NZ  
3076 N N   . GLY C 68  ? 1.056 0.441 0.611 -0.040 -0.156 0.006  69  GLY FFF N   
3077 C CA  . GLY C 68  ? 1.063 0.467 0.622 -0.059 -0.164 0.013  69  GLY FFF CA  
3078 C C   . GLY C 68  ? 1.064 0.487 0.619 -0.059 -0.166 0.005  69  GLY FFF C   
3079 O O   . GLY C 68  ? 1.118 0.567 0.677 -0.074 -0.170 0.009  69  GLY FFF O   
3080 N N   . ARG C 69  ? 1.027 0.439 0.573 -0.043 -0.162 -0.006 70  ARG FFF N   
3081 C CA  . ARG C 69  ? 1.000 0.423 0.540 -0.042 -0.166 -0.014 70  ARG FFF CA  
3082 C C   . ARG C 69  ? 0.965 0.406 0.499 -0.027 -0.158 -0.019 70  ARG FFF C   
3083 O O   . ARG C 69  ? 0.945 0.411 0.480 -0.028 -0.161 -0.023 70  ARG FFF O   
3084 C CB  . ARG C 69  ? 1.006 0.401 0.538 -0.039 -0.173 -0.023 70  ARG FFF CB  
3085 C CG  . ARG C 69  ? 1.026 0.402 0.563 -0.054 -0.185 -0.019 70  ARG FFF CG  
3086 C CD  . ARG C 69  ? 1.043 0.395 0.573 -0.052 -0.194 -0.029 70  ARG FFF CD  
3087 N NE  . ARG C 69  ? 1.039 0.373 0.562 -0.034 -0.188 -0.040 70  ARG FFF NE  
3088 C CZ  . ARG C 69  ? 1.036 0.373 0.547 -0.022 -0.183 -0.051 70  ARG FFF CZ  
3089 N NH1 . ARG C 69  ? 1.025 0.381 0.532 -0.025 -0.185 -0.053 70  ARG FFF NH1 
3090 N NH2 . ARG C 69  ? 1.043 0.367 0.548 -0.008 -0.177 -0.060 70  ARG FFF NH2 
3091 N N   . PHE C 70  ? 0.948 0.376 0.477 -0.013 -0.149 -0.020 71  PHE FFF N   
3092 C CA  . PHE C 70  ? 0.937 0.371 0.456 0.001  -0.143 -0.023 71  PHE FFF CA  
3093 C C   . PHE C 70  ? 0.914 0.362 0.441 0.003  -0.136 -0.017 71  PHE FFF C   
3094 O O   . PHE C 70  ? 0.900 0.341 0.434 -0.002 -0.132 -0.010 71  PHE FFF O   
3095 C CB  . PHE C 70  ? 0.945 0.355 0.449 0.012  -0.139 -0.028 71  PHE FFF CB  
3096 C CG  . PHE C 70  ? 0.966 0.366 0.461 0.012  -0.145 -0.037 71  PHE FFF CG  
3097 C CD1 . PHE C 70  ? 0.974 0.379 0.475 0.002  -0.154 -0.039 71  PHE FFF CD1 
3098 C CD2 . PHE C 70  ? 0.978 0.361 0.456 0.020  -0.141 -0.043 71  PHE FFF CD2 
3099 C CE1 . PHE C 70  ? 0.988 0.381 0.479 0.002  -0.160 -0.048 71  PHE FFF CE1 
3100 C CE2 . PHE C 70  ? 0.992 0.367 0.461 0.020  -0.146 -0.052 71  PHE FFF CE2 
3101 C CZ  . PHE C 70  ? 1.002 0.381 0.478 0.012  -0.156 -0.055 71  PHE FFF CZ  
3102 N N   . THR C 71  ? 0.910 0.376 0.436 0.011  -0.136 -0.019 72  THR FFF N   
3103 C CA  . THR C 71  ? 0.901 0.380 0.433 0.016  -0.131 -0.016 72  THR FFF CA  
3104 C C   . THR C 71  ? 0.899 0.367 0.416 0.031  -0.130 -0.020 72  THR FFF C   
3105 O O   . THR C 71  ? 0.914 0.389 0.426 0.037  -0.138 -0.026 72  THR FFF O   
3106 C CB  . THR C 71  ? 0.893 0.410 0.440 0.010  -0.134 -0.018 72  THR FFF CB  
3107 O OG1 . THR C 71  ? 0.914 0.440 0.470 -0.007 -0.137 -0.013 72  THR FFF OG1 
3108 C CG2 . THR C 71  ? 0.887 0.419 0.441 0.015  -0.129 -0.016 72  THR FFF CG2 
3109 N N   . MET C 72  ? 0.898 0.350 0.409 0.036  -0.123 -0.015 73  MET FFF N   
3110 C CA  . MET C 72  ? 0.905 0.345 0.401 0.047  -0.123 -0.016 73  MET FFF CA  
3111 C C   . MET C 72  ? 0.898 0.355 0.404 0.052  -0.124 -0.016 73  MET FFF C   
3112 O O   . MET C 72  ? 0.872 0.343 0.393 0.046  -0.119 -0.013 73  MET FFF O   
3113 C CB  . MET C 72  ? 0.917 0.332 0.400 0.047  -0.115 -0.012 73  MET FFF CB  
3114 C CG  . MET C 72  ? 0.947 0.345 0.408 0.055  -0.117 -0.012 73  MET FFF CG  
3115 S SD  . MET C 72  ? 0.992 0.370 0.438 0.052  -0.106 -0.007 73  MET FFF SD  
3116 C CE  . MET C 72  ? 0.999 0.360 0.418 0.056  -0.113 -0.005 73  MET FFF CE  
3117 N N   . SER C 73  ? 0.901 0.356 0.399 0.063  -0.132 -0.020 74  SER FFF N   
3118 C CA  . SER C 73  ? 0.899 0.371 0.407 0.071  -0.135 -0.023 74  SER FFF CA  
3119 C C   . SER C 73  ? 0.904 0.352 0.394 0.082  -0.143 -0.024 74  SER FFF C   
3120 O O   . SER C 73  ? 0.936 0.362 0.407 0.083  -0.147 -0.022 74  SER FFF O   
3121 C CB  . SER C 73  ? 0.881 0.391 0.408 0.071  -0.142 -0.033 74  SER FFF CB  
3122 O OG  . SER C 73  ? 0.899 0.409 0.419 0.077  -0.153 -0.040 74  SER FFF OG  
3123 N N   . ARG C 74  ? 0.915 0.367 0.409 0.091  -0.147 -0.026 75  ARG FFF N   
3124 C CA  . ARG C 74  ? 0.921 0.346 0.397 0.102  -0.159 -0.027 75  ARG FFF CA  
3125 C C   . ARG C 74  ? 0.931 0.376 0.421 0.115  -0.171 -0.038 75  ARG FFF C   
3126 O O   . ARG C 74  ? 0.885 0.362 0.398 0.114  -0.166 -0.043 75  ARG FFF O   
3127 C CB  . ARG C 74  ? 0.930 0.327 0.391 0.097  -0.151 -0.016 75  ARG FFF CB  
3128 C CG  . ARG C 74  ? 0.914 0.324 0.390 0.096  -0.143 -0.015 75  ARG FFF CG  
3129 C CD  . ARG C 74  ? 0.918 0.303 0.379 0.089  -0.134 -0.004 75  ARG FFF CD  
3130 N NE  . ARG C 74  ? 0.938 0.289 0.372 0.091  -0.143 0.001  75  ARG FFF NE  
3131 C CZ  . ARG C 74  ? 0.962 0.291 0.376 0.082  -0.136 0.010  75  ARG FFF CZ  
3132 N NH1 . ARG C 74  ? 0.953 0.289 0.373 0.072  -0.120 0.014  75  ARG FFF NH1 
3133 N NH2 . ARG C 74  ? 0.994 0.292 0.381 0.082  -0.147 0.015  75  ARG FFF NH2 
3134 N N   . ASP C 75  ? 0.952 0.379 0.429 0.128  -0.189 -0.043 76  ASP FFF N   
3135 C CA  . ASP C 75  ? 0.970 0.408 0.458 0.145  -0.205 -0.056 76  ASP FFF CA  
3136 C C   . ASP C 75  ? 0.997 0.390 0.461 0.151  -0.217 -0.050 76  ASP FFF C   
3137 O O   . ASP C 75  ? 1.019 0.383 0.461 0.154  -0.230 -0.046 76  ASP FFF O   
3138 C CB  . ASP C 75  ? 0.974 0.435 0.471 0.155  -0.219 -0.070 76  ASP FFF CB  
3139 C CG  . ASP C 75  ? 0.982 0.461 0.495 0.175  -0.237 -0.088 76  ASP FFF CG  
3140 O OD1 . ASP C 75  ? 0.998 0.458 0.507 0.183  -0.243 -0.088 76  ASP FFF OD1 
3141 O OD2 . ASP C 75  ? 0.980 0.493 0.508 0.183  -0.245 -0.103 76  ASP FFF OD2 
3142 N N   . ASN C 76  ? 0.984 0.369 0.449 0.151  -0.212 -0.046 77  ASN FFF N   
3143 C CA  . ASN C 76  ? 1.027 0.365 0.466 0.152  -0.222 -0.037 77  ASN FFF CA  
3144 C C   . ASN C 76  ? 1.058 0.379 0.492 0.171  -0.250 -0.047 77  ASN FFF C   
3145 O O   . ASN C 76  ? 1.095 0.371 0.500 0.170  -0.263 -0.037 77  ASN FFF O   
3146 C CB  . ASN C 76  ? 1.015 0.350 0.458 0.146  -0.211 -0.031 77  ASN FFF CB  
3147 C CG  . ASN C 76  ? 1.001 0.345 0.446 0.128  -0.186 -0.020 77  ASN FFF CG  
3148 O OD1 . ASN C 76  ? 0.986 0.332 0.425 0.120  -0.179 -0.016 77  ASN FFF OD1 
3149 N ND2 . ASN C 76  ? 0.986 0.337 0.440 0.123  -0.175 -0.017 77  ASN FFF ND2 
3150 N N   . ALA C 77  ? 1.040 0.397 0.500 0.187  -0.259 -0.066 78  ALA FFF N   
3151 C CA  . ALA C 77  ? 1.080 0.427 0.541 0.208  -0.288 -0.081 78  ALA FFF CA  
3152 C C   . ALA C 77  ? 1.112 0.435 0.552 0.210  -0.302 -0.076 78  ALA FFF C   
3153 O O   . ALA C 77  ? 1.170 0.459 0.594 0.223  -0.328 -0.079 78  ALA FFF O   
3154 C CB  . ALA C 77  ? 1.050 0.452 0.547 0.223  -0.291 -0.105 78  ALA FFF CB  
3155 N N   . LYS C 78  ? 1.093 0.431 0.530 0.197  -0.287 -0.070 79  LYS FFF N   
3156 C CA  . LYS C 78  ? 1.124 0.443 0.541 0.195  -0.298 -0.065 79  LYS FFF CA  
3157 C C   . LYS C 78  ? 1.120 0.401 0.503 0.176  -0.288 -0.043 79  LYS FFF C   
3158 O O   . LYS C 78  ? 1.137 0.401 0.500 0.172  -0.294 -0.038 79  LYS FFF O   
3159 C CB  . LYS C 78  ? 1.127 0.492 0.565 0.194  -0.289 -0.075 79  LYS FFF CB  
3160 C CG  . LYS C 78  ? 1.139 0.550 0.609 0.212  -0.300 -0.099 79  LYS FFF CG  
3161 C CD  . LYS C 78  ? 1.154 0.604 0.639 0.208  -0.295 -0.107 79  LYS FFF CD  
3162 C CE  . LYS C 78  ? 1.160 0.658 0.674 0.225  -0.307 -0.131 79  LYS FFF CE  
3163 N NZ  . LYS C 78  ? 1.168 0.709 0.710 0.224  -0.294 -0.141 79  LYS FFF NZ  
3164 N N   . ASN C 79  ? 1.100 0.369 0.478 0.164  -0.272 -0.033 80  ASN FFF N   
3165 C CA  . ASN C 79  ? 1.111 0.351 0.459 0.144  -0.261 -0.014 80  ASN FFF CA  
3166 C C   . ASN C 79  ? 1.092 0.348 0.438 0.133  -0.246 -0.011 80  ASN FFF C   
3167 O O   . ASN C 79  ? 1.097 0.328 0.414 0.122  -0.248 -0.001 80  ASN FFF O   
3168 C CB  . ASN C 79  ? 1.167 0.357 0.479 0.143  -0.282 -0.003 80  ASN FFF CB  
3169 C CG  . ASN C 79  ? 1.187 0.349 0.473 0.124  -0.271 0.014  80  ASN FFF CG  
3170 O OD1 . ASN C 79  ? 1.165 0.338 0.463 0.118  -0.255 0.016  80  ASN FFF OD1 
3171 N ND2 . ASN C 79  ? 1.233 0.362 0.482 0.112  -0.280 0.027  80  ASN FFF ND2 
3172 N N   . THR C 80  ? 1.051 0.348 0.426 0.134  -0.233 -0.021 81  THR FFF N   
3173 C CA  . THR C 80  ? 1.045 0.360 0.424 0.127  -0.225 -0.023 81  THR FFF CA  
3174 C C   . THR C 80  ? 1.013 0.355 0.413 0.116  -0.202 -0.023 81  THR FFF C   
3175 O O   . THR C 80  ? 0.987 0.352 0.410 0.120  -0.198 -0.028 81  THR FFF O   
3176 C CB  . THR C 80  ? 1.051 0.388 0.444 0.140  -0.240 -0.037 81  THR FFF CB  
3177 O OG1 . THR C 80  ? 1.100 0.407 0.472 0.150  -0.263 -0.036 81  THR FFF OG1 
3178 C CG2 . THR C 80  ? 1.044 0.402 0.443 0.133  -0.232 -0.040 81  THR FFF CG2 
3179 N N   . VAL C 81  ? 1.011 0.352 0.403 0.104  -0.189 -0.017 82  VAL FFF N   
3180 C CA  . VAL C 81  ? 0.990 0.355 0.403 0.095  -0.172 -0.019 82  VAL FFF CA  
3181 C C   . VAL C 81  ? 0.991 0.372 0.409 0.093  -0.174 -0.025 82  VAL FFF C   
3182 O O   . VAL C 81  ? 1.007 0.374 0.407 0.095  -0.184 -0.026 82  VAL FFF O   
3183 C CB  . VAL C 81  ? 0.996 0.348 0.400 0.083  -0.156 -0.009 82  VAL FFF CB  
3184 C CG1 . VAL C 81  ? 1.003 0.340 0.400 0.084  -0.155 -0.003 82  VAL FFF CG1 
3185 C CG2 . VAL C 81  ? 1.030 0.364 0.409 0.076  -0.155 -0.006 82  VAL FFF CG2 
3186 N N   . TYR C 82  ? 0.987 0.394 0.428 0.087  -0.166 -0.029 83  TYR FFF N   
3187 C CA  . TYR C 82  ? 0.980 0.405 0.430 0.083  -0.168 -0.035 83  TYR FFF CA  
3188 C C   . TYR C 82  ? 0.964 0.388 0.418 0.071  -0.155 -0.031 83  TYR FFF C   
3189 O O   . TYR C 82  ? 0.943 0.364 0.403 0.066  -0.144 -0.025 83  TYR FFF O   
3190 C CB  . TYR C 82  ? 0.975 0.436 0.449 0.088  -0.174 -0.044 83  TYR FFF CB  
3191 C CG  . TYR C 82  ? 0.980 0.445 0.454 0.103  -0.188 -0.051 83  TYR FFF CG  
3192 C CD1 . TYR C 82  ? 0.994 0.459 0.474 0.110  -0.188 -0.051 83  TYR FFF CD1 
3193 C CD2 . TYR C 82  ? 1.012 0.478 0.479 0.112  -0.204 -0.058 83  TYR FFF CD2 
3194 C CE1 . TYR C 82  ? 1.007 0.472 0.487 0.126  -0.204 -0.059 83  TYR FFF CE1 
3195 C CE2 . TYR C 82  ? 1.027 0.492 0.494 0.129  -0.220 -0.066 83  TYR FFF CE2 
3196 C CZ  . TYR C 82  ? 1.023 0.488 0.497 0.136  -0.220 -0.067 83  TYR FFF CZ  
3197 O OH  . TYR C 82  ? 1.022 0.485 0.498 0.154  -0.239 -0.076 83  TYR FFF OH  
3198 N N   . LEU C 83  ? 0.961 0.385 0.411 0.066  -0.157 -0.034 84  LEU FFF N   
3199 C CA  . LEU C 83  ? 0.958 0.385 0.418 0.054  -0.149 -0.034 84  LEU FFF CA  
3200 C C   . LEU C 83  ? 0.966 0.418 0.441 0.050  -0.157 -0.040 84  LEU FFF C   
3201 O O   . LEU C 83  ? 0.974 0.424 0.439 0.052  -0.165 -0.045 84  LEU FFF O   
3202 C CB  . LEU C 83  ? 0.970 0.374 0.412 0.052  -0.145 -0.034 84  LEU FFF CB  
3203 C CG  . LEU C 83  ? 0.968 0.371 0.420 0.042  -0.140 -0.035 84  LEU FFF CG  
3204 C CD1 . LEU C 83  ? 0.950 0.353 0.416 0.039  -0.131 -0.029 84  LEU FFF CD1 
3205 C CD2 . LEU C 83  ? 0.984 0.369 0.420 0.042  -0.137 -0.040 84  LEU FFF CD2 
3206 N N   . GLN C 84  ? 0.970 0.444 0.465 0.043  -0.154 -0.039 85  GLN FFF N   
3207 C CA  . GLN C 84  ? 0.977 0.478 0.486 0.033  -0.160 -0.043 85  GLN FFF CA  
3208 C C   . GLN C 84  ? 0.977 0.462 0.485 0.021  -0.158 -0.040 85  GLN FFF C   
3209 O O   . GLN C 84  ? 0.943 0.418 0.456 0.015  -0.151 -0.034 85  GLN FFF O   
3210 C CB  . GLN C 84  ? 0.991 0.525 0.520 0.029  -0.158 -0.043 85  GLN FFF CB  
3211 C CG  . GLN C 84  ? 1.029 0.595 0.573 0.015  -0.162 -0.045 85  GLN FFF CG  
3212 C CD  . GLN C 84  ? 1.068 0.651 0.610 0.019  -0.172 -0.056 85  GLN FFF CD  
3213 O OE1 . GLN C 84  ? 1.135 0.722 0.674 0.035  -0.178 -0.063 85  GLN FFF OE1 
3214 N NE2 . GLN C 84  ? 1.088 0.679 0.633 0.005  -0.176 -0.057 85  GLN FFF NE2 
3215 N N   . MET C 85  ? 0.980 0.462 0.481 0.019  -0.164 -0.046 86  MET FFF N   
3216 C CA  . MET C 85  ? 1.003 0.467 0.502 0.009  -0.165 -0.046 86  MET FFF CA  
3217 C C   . MET C 85  ? 0.989 0.476 0.500 -0.005 -0.173 -0.048 86  MET FFF C   
3218 O O   . MET C 85  ? 0.999 0.503 0.509 -0.003 -0.180 -0.054 86  MET FFF O   
3219 C CB  . MET C 85  ? 1.027 0.469 0.508 0.016  -0.167 -0.052 86  MET FFF CB  
3220 C CG  . MET C 85  ? 1.044 0.470 0.510 0.027  -0.160 -0.050 86  MET FFF CG  
3221 S SD  . MET C 85  ? 1.106 0.514 0.547 0.033  -0.164 -0.057 86  MET FFF SD  
3222 C CE  . MET C 85  ? 1.113 0.500 0.551 0.030  -0.155 -0.059 86  MET FFF CE  
3223 N N   . ASN C 86  ? 0.983 0.470 0.506 -0.020 -0.173 -0.041 87  ASN FFF N   
3224 C CA  . ASN C 86  ? 1.001 0.504 0.532 -0.039 -0.181 -0.040 87  ASN FFF CA  
3225 C C   . ASN C 86  ? 1.025 0.495 0.551 -0.047 -0.186 -0.039 87  ASN FFF C   
3226 O O   . ASN C 86  ? 1.039 0.480 0.560 -0.039 -0.182 -0.039 87  ASN FFF O   
3227 C CB  . ASN C 86  ? 0.989 0.519 0.535 -0.054 -0.180 -0.032 87  ASN FFF CB  
3228 C CG  . ASN C 86  ? 0.978 0.543 0.531 -0.044 -0.175 -0.035 87  ASN FFF CG  
3229 O OD1 . ASN C 86  ? 1.003 0.585 0.554 -0.034 -0.178 -0.045 87  ASN FFF OD1 
3230 N ND2 . ASN C 86  ? 0.958 0.534 0.520 -0.048 -0.169 -0.029 87  ASN FFF ND2 
3231 N N   . SER C 87  ? 1.027 0.503 0.556 -0.063 -0.196 -0.040 88  SER FFF N   
3232 C CA  . SER C 87  ? 1.055 0.499 0.581 -0.074 -0.205 -0.039 88  SER FFF CA  
3233 C C   . SER C 87  ? 1.068 0.482 0.582 -0.057 -0.204 -0.049 88  SER FFF C   
3234 O O   . SER C 87  ? 1.074 0.457 0.588 -0.056 -0.206 -0.050 88  SER FFF O   
3235 C CB  . SER C 87  ? 1.053 0.482 0.586 -0.086 -0.207 -0.028 88  SER FFF CB  
3236 O OG  . SER C 87  ? 1.034 0.495 0.576 -0.103 -0.208 -0.018 88  SER FFF OG  
3237 N N   . LEU C 88  ? 1.061 0.485 0.566 -0.044 -0.200 -0.058 89  LEU FFF N   
3238 C CA  . LEU C 88  ? 1.075 0.475 0.565 -0.030 -0.198 -0.067 89  LEU FFF CA  
3239 C C   . LEU C 88  ? 1.103 0.480 0.592 -0.036 -0.208 -0.074 89  LEU FFF C   
3240 O O   . LEU C 88  ? 1.090 0.472 0.583 -0.050 -0.218 -0.074 89  LEU FFF O   
3241 C CB  . LEU C 88  ? 1.075 0.493 0.556 -0.019 -0.197 -0.073 89  LEU FFF CB  
3242 C CG  . LEU C 88  ? 1.055 0.482 0.532 -0.007 -0.188 -0.069 89  LEU FFF CG  
3243 C CD1 . LEU C 88  ? 1.054 0.502 0.526 0.000  -0.192 -0.073 89  LEU FFF CD1 
3244 C CD2 . LEU C 88  ? 1.063 0.466 0.528 0.004  -0.180 -0.070 89  LEU FFF CD2 
3245 N N   . LYS C 89  ? 1.125 0.476 0.608 -0.026 -0.205 -0.081 90  LYS FFF N   
3246 C CA  . LYS C 89  ? 1.146 0.471 0.627 -0.028 -0.214 -0.092 90  LYS FFF CA  
3247 C C   . LYS C 89  ? 1.138 0.463 0.604 -0.015 -0.210 -0.106 90  LYS FFF C   
3248 O O   . LYS C 89  ? 1.091 0.426 0.547 -0.005 -0.200 -0.105 90  LYS FFF O   
3249 C CB  . LYS C 89  ? 1.177 0.478 0.666 -0.025 -0.215 -0.092 90  LYS FFF CB  
3250 C CG  . LYS C 89  ? 1.191 0.488 0.693 -0.038 -0.220 -0.077 90  LYS FFF CG  
3251 C CD  . LYS C 89  ? 1.218 0.492 0.727 -0.032 -0.220 -0.077 90  LYS FFF CD  
3252 C CE  . LYS C 89  ? 1.229 0.493 0.749 -0.049 -0.231 -0.063 90  LYS FFF CE  
3253 N NZ  . LYS C 89  ? 1.230 0.488 0.757 -0.042 -0.224 -0.057 90  LYS FFF NZ  
3254 N N   . PRO C 90  ? 1.149 0.460 0.610 -0.016 -0.220 -0.118 91  PRO FFF N   
3255 C CA  . PRO C 90  ? 1.165 0.475 0.612 -0.005 -0.216 -0.133 91  PRO FFF CA  
3256 C C   . PRO C 90  ? 1.154 0.461 0.596 0.008  -0.204 -0.137 91  PRO FFF C   
3257 O O   . PRO C 90  ? 1.157 0.474 0.583 0.015  -0.196 -0.141 91  PRO FFF O   
3258 C CB  . PRO C 90  ? 1.190 0.479 0.640 -0.009 -0.230 -0.147 91  PRO FFF CB  
3259 C CG  . PRO C 90  ? 1.195 0.483 0.655 -0.026 -0.242 -0.136 91  PRO FFF CG  
3260 C CD  . PRO C 90  ? 1.172 0.472 0.642 -0.031 -0.235 -0.119 91  PRO FFF CD  
3261 N N   . SER C 91  ? 1.144 0.436 0.599 0.009  -0.204 -0.135 92  SER FFF N   
3262 C CA  . SER C 91  ? 1.134 0.425 0.588 0.020  -0.193 -0.140 92  SER FFF CA  
3263 C C   . SER C 91  ? 1.101 0.410 0.549 0.023  -0.179 -0.127 92  SER FFF C   
3264 O O   . SER C 91  ? 1.094 0.406 0.537 0.031  -0.169 -0.131 92  SER FFF O   
3265 C CB  . SER C 91  ? 1.137 0.409 0.608 0.020  -0.199 -0.140 92  SER FFF CB  
3266 O OG  . SER C 91  ? 1.123 0.395 0.605 0.010  -0.201 -0.121 92  SER FFF OG  
3267 N N   . ASP C 92  ? 1.087 0.409 0.533 0.017  -0.179 -0.114 93  ASP FFF N   
3268 C CA  . ASP C 92  ? 1.066 0.402 0.505 0.020  -0.169 -0.102 93  ASP FFF CA  
3269 C C   . ASP C 92  ? 1.064 0.408 0.481 0.025  -0.167 -0.106 93  ASP FFF C   
3270 O O   . ASP C 92  ? 1.048 0.400 0.455 0.028  -0.160 -0.098 93  ASP FFF O   
3271 C CB  . ASP C 92  ? 1.065 0.413 0.515 0.013  -0.172 -0.089 93  ASP FFF CB  
3272 C CG  . ASP C 92  ? 1.066 0.408 0.534 0.007  -0.174 -0.081 93  ASP FFF CG  
3273 O OD1 . ASP C 92  ? 1.065 0.398 0.536 0.012  -0.167 -0.081 93  ASP FFF OD1 
3274 O OD2 . ASP C 92  ? 1.074 0.423 0.552 -0.004 -0.181 -0.075 93  ASP FFF OD2 
3275 N N   . THR C 93  ? 1.067 0.409 0.476 0.024  -0.173 -0.118 94  THR FFF N   
3276 C CA  . THR C 93  ? 1.075 0.424 0.461 0.027  -0.172 -0.123 94  THR FFF CA  
3277 C C   . THR C 93  ? 1.079 0.430 0.450 0.032  -0.161 -0.124 94  THR FFF C   
3278 O O   . THR C 93  ? 1.080 0.427 0.458 0.034  -0.156 -0.134 94  THR FFF O   
3279 C CB  . THR C 93  ? 1.086 0.433 0.467 0.025  -0.180 -0.137 94  THR FFF CB  
3280 O OG1 . THR C 93  ? 1.072 0.420 0.466 0.018  -0.191 -0.134 94  THR FFF OG1 
3281 C CG2 . THR C 93  ? 1.104 0.458 0.460 0.027  -0.180 -0.142 94  THR FFF CG2 
3282 N N   . ALA C 94  ? 1.071 0.427 0.423 0.033  -0.158 -0.116 95  ALA FFF N   
3283 C CA  . ALA C 94  ? 1.083 0.441 0.417 0.033  -0.148 -0.114 95  ALA FFF CA  
3284 C C   . ALA C 94  ? 1.094 0.452 0.409 0.033  -0.151 -0.101 95  ALA FFF C   
3285 O O   . ALA C 94  ? 1.088 0.446 0.409 0.035  -0.160 -0.094 95  ALA FFF O   
3286 C CB  . ALA C 94  ? 1.066 0.422 0.416 0.035  -0.139 -0.111 95  ALA FFF CB  
3287 N N   . VAL C 95  ? 1.102 0.461 0.395 0.030  -0.144 -0.097 96  VAL FFF N   
3288 C CA  . VAL C 95  ? 1.109 0.461 0.384 0.030  -0.147 -0.082 96  VAL FFF CA  
3289 C C   . VAL C 95  ? 1.097 0.447 0.389 0.032  -0.140 -0.073 96  VAL FFF C   
3290 O O   . VAL C 95  ? 1.103 0.456 0.400 0.030  -0.129 -0.078 96  VAL FFF O   
3291 C CB  . VAL C 95  ? 1.128 0.480 0.369 0.022  -0.144 -0.080 96  VAL FFF CB  
3292 C CG1 . VAL C 95  ? 1.139 0.479 0.360 0.021  -0.152 -0.064 96  VAL FFF CG1 
3293 C CG2 . VAL C 95  ? 1.150 0.509 0.377 0.019  -0.149 -0.092 96  VAL FFF CG2 
3294 N N   . TYR C 96  ? 1.087 0.432 0.386 0.036  -0.146 -0.063 97  TYR FFF N   
3295 C CA  . TYR C 96  ? 1.069 0.413 0.383 0.039  -0.141 -0.054 97  TYR FFF CA  
3296 C C   . TYR C 96  ? 1.097 0.430 0.388 0.037  -0.142 -0.043 97  TYR FFF C   
3297 O O   . TYR C 96  ? 1.100 0.425 0.374 0.039  -0.155 -0.038 97  TYR FFF O   
3298 C CB  . TYR C 96  ? 1.040 0.390 0.379 0.043  -0.148 -0.053 97  TYR FFF CB  
3299 C CG  . TYR C 96  ? 1.019 0.376 0.381 0.041  -0.145 -0.061 97  TYR FFF CG  
3300 C CD1 . TYR C 96  ? 1.022 0.381 0.382 0.039  -0.149 -0.071 97  TYR FFF CD1 
3301 C CD2 . TYR C 96  ? 0.998 0.357 0.381 0.041  -0.139 -0.058 97  TYR FFF CD2 
3302 C CE1 . TYR C 96  ? 1.016 0.376 0.396 0.036  -0.149 -0.078 97  TYR FFF CE1 
3303 C CE2 . TYR C 96  ? 0.985 0.346 0.387 0.038  -0.139 -0.064 97  TYR FFF CE2 
3304 C CZ  . TYR C 96  ? 1.001 0.360 0.401 0.035  -0.144 -0.074 97  TYR FFF CZ  
3305 O OH  . TYR C 96  ? 0.996 0.352 0.414 0.032  -0.147 -0.078 97  TYR FFF OH  
3306 N N   . TYR C 97  ? 1.124 0.456 0.413 0.033  -0.131 -0.040 98  TYR FFF N   
3307 C CA  . TYR C 97  ? 1.144 0.465 0.413 0.029  -0.131 -0.028 98  TYR FFF CA  
3308 C C   . TYR C 97  ? 1.133 0.453 0.422 0.033  -0.127 -0.022 98  TYR FFF C   
3309 O O   . TYR C 97  ? 1.081 0.411 0.393 0.035  -0.117 -0.027 98  TYR FFF O   
3310 C CB  . TYR C 97  ? 1.170 0.496 0.420 0.019  -0.120 -0.030 98  TYR FFF CB  
3311 C CG  . TYR C 97  ? 1.207 0.539 0.437 0.013  -0.121 -0.038 98  TYR FFF CG  
3312 C CD1 . TYR C 97  ? 1.212 0.558 0.456 0.015  -0.116 -0.054 98  TYR FFF CD1 
3313 C CD2 . TYR C 97  ? 1.260 0.582 0.455 0.005  -0.129 -0.030 98  TYR FFF CD2 
3314 C CE1 . TYR C 97  ? 1.235 0.589 0.462 0.010  -0.117 -0.063 98  TYR FFF CE1 
3315 C CE2 . TYR C 97  ? 1.288 0.618 0.463 -0.002 -0.131 -0.038 98  TYR FFF CE2 
3316 C CZ  . TYR C 97  ? 1.277 0.624 0.469 0.002  -0.124 -0.055 98  TYR FFF CZ  
3317 O OH  . TYR C 97  ? 1.294 0.651 0.468 -0.004 -0.125 -0.064 98  TYR FFF OH  
3318 N N   . CYS C 98  ? 1.130 0.437 0.408 0.035  -0.135 -0.011 99  CYS FFF N   
3319 C CA  . CYS C 98  ? 1.128 0.433 0.419 0.037  -0.130 -0.005 99  CYS FFF CA  
3320 C C   . CYS C 98  ? 1.129 0.424 0.394 0.026  -0.124 0.003  99  CYS FFF C   
3321 O O   . CYS C 98  ? 1.129 0.414 0.363 0.018  -0.131 0.007  99  CYS FFF O   
3322 C CB  . CYS C 98  ? 1.164 0.463 0.463 0.047  -0.143 -0.001 99  CYS FFF CB  
3323 S SG  . CYS C 98  ? 1.271 0.544 0.538 0.048  -0.163 0.007  99  CYS FFF SG  
3324 N N   . ALA C 99  ? 1.106 0.405 0.381 0.024  -0.114 0.006  100 ALA FFF N   
3325 C CA  . ALA C 99  ? 1.110 0.403 0.365 0.012  -0.107 0.013  100 ALA FFF CA  
3326 C C   . ALA C 99  ? 1.086 0.374 0.354 0.016  -0.105 0.019  100 ALA FFF C   
3327 O O   . ALA C 99  ? 1.054 0.353 0.352 0.025  -0.103 0.015  100 ALA FFF O   
3328 C CB  . ALA C 99  ? 1.108 0.420 0.363 0.005  -0.092 0.004  100 ALA FFF CB  
3329 N N   . THR C 100 ? 1.087 0.361 0.333 0.007  -0.107 0.030  101 THR FFF N   
3330 C CA  . THR C 100 ? 1.073 0.342 0.328 0.007  -0.105 0.036  101 THR FFF CA  
3331 C C   . THR C 100 ? 1.090 0.359 0.324 -0.009 -0.095 0.042  101 THR FFF C   
3332 O O   . THR C 100 ? 1.123 0.395 0.332 -0.021 -0.093 0.042  101 THR FFF O   
3333 C CB  . THR C 100 ? 1.086 0.332 0.337 0.016  -0.123 0.042  101 THR FFF CB  
3334 O OG1 . THR C 100 ? 1.055 0.300 0.320 0.018  -0.120 0.046  101 THR FFF OG1 
3335 C CG2 . THR C 100 ? 1.124 0.343 0.338 0.007  -0.138 0.052  101 THR FFF CG2 
3336 N N   . ASP C 101 ? 1.082 0.352 0.325 -0.011 -0.090 0.046  102 ASP FFF N   
3337 C CA  . ASP C 101 ? 1.109 0.378 0.332 -0.027 -0.082 0.053  102 ASP FFF CA  
3338 C C   . ASP C 101 ? 1.104 0.361 0.337 -0.024 -0.086 0.060  102 ASP FFF C   
3339 O O   . ASP C 101 ? 1.101 0.348 0.350 -0.009 -0.096 0.059  102 ASP FFF O   
3340 C CB  . ASP C 101 ? 1.096 0.397 0.328 -0.034 -0.063 0.043  102 ASP FFF CB  
3341 C CG  . ASP C 101 ? 1.064 0.385 0.332 -0.024 -0.051 0.035  102 ASP FFF CG  
3342 O OD1 . ASP C 101 ? 1.055 0.401 0.332 -0.028 -0.037 0.026  102 ASP FFF OD1 
3343 O OD2 . ASP C 101 ? 1.039 0.352 0.328 -0.013 -0.056 0.037  102 ASP FFF OD2 
3344 N N   . LEU C 102 ? 1.134 0.393 0.357 -0.037 -0.078 0.066  103 LEU FFF N   
3345 C CA  . LEU C 102 ? 1.126 0.370 0.352 -0.037 -0.082 0.073  103 LEU FFF CA  
3346 C C   . LEU C 102 ? 1.091 0.358 0.355 -0.027 -0.069 0.066  103 LEU FFF C   
3347 O O   . LEU C 102 ? 1.084 0.343 0.353 -0.026 -0.071 0.070  103 LEU FFF O   
3348 C CB  . LEU C 102 ? 1.188 0.423 0.382 -0.060 -0.081 0.084  103 LEU FFF CB  
3349 C CG  . LEU C 102 ? 1.225 0.430 0.379 -0.072 -0.098 0.096  103 LEU FFF CG  
3350 C CD1 . LEU C 102 ? 1.268 0.469 0.387 -0.099 -0.095 0.107  103 LEU FFF CD1 
3351 C CD2 . LEU C 102 ? 1.262 0.430 0.413 -0.059 -0.122 0.102  103 LEU FFF CD2 
3352 N N   . GLY C 103 ? 1.054 0.346 0.340 -0.020 -0.057 0.055  104 GLY FFF N   
3353 C CA  . GLY C 103 ? 1.004 0.316 0.325 -0.010 -0.048 0.048  104 GLY FFF CA  
3354 C C   . GLY C 103 ? 0.975 0.279 0.315 0.005  -0.058 0.048  104 GLY FFF C   
3355 O O   . GLY C 103 ? 0.992 0.287 0.328 0.012  -0.070 0.047  104 GLY FFF O   
3356 N N   . GLY C 104 ? 0.939 0.253 0.302 0.010  -0.053 0.048  105 GLY FFF N   
3357 C CA  . GLY C 104 ? 0.916 0.233 0.301 0.022  -0.060 0.045  105 GLY FFF CA  
3358 C C   . GLY C 104 ? 0.889 0.225 0.298 0.029  -0.055 0.038  105 GLY FFF C   
3359 O O   . GLY C 104 ? 0.881 0.221 0.302 0.037  -0.063 0.035  105 GLY FFF O   
3360 N N   . TYR C 105 ? 0.871 0.220 0.286 0.025  -0.044 0.034  106 TYR FFF N   
3361 C CA  . TYR C 105 ? 0.854 0.220 0.295 0.030  -0.040 0.028  106 TYR FFF CA  
3362 C C   . TYR C 105 ? 0.858 0.227 0.296 0.028  -0.036 0.021  106 TYR FFF C   
3363 O O   . TYR C 105 ? 0.861 0.234 0.288 0.022  -0.029 0.018  106 TYR FFF O   
3364 C CB  . TYR C 105 ? 0.829 0.206 0.289 0.029  -0.032 0.030  106 TYR FFF CB  
3365 C CG  . TYR C 105 ? 0.826 0.203 0.293 0.033  -0.037 0.034  106 TYR FFF CG  
3366 C CD1 . TYR C 105 ? 0.811 0.198 0.295 0.038  -0.043 0.033  106 TYR FFF CD1 
3367 C CD2 . TYR C 105 ? 0.837 0.207 0.294 0.030  -0.037 0.039  106 TYR FFF CD2 
3368 C CE1 . TYR C 105 ? 0.818 0.210 0.310 0.042  -0.047 0.034  106 TYR FFF CE1 
3369 C CE2 . TYR C 105 ? 0.833 0.203 0.297 0.034  -0.042 0.041  106 TYR FFF CE2 
3370 C CZ  . TYR C 105 ? 0.826 0.209 0.308 0.041  -0.047 0.037  106 TYR FFF CZ  
3371 O OH  . TYR C 105 ? 0.836 0.225 0.327 0.046  -0.053 0.036  106 TYR FFF OH  
3372 N N   . CYS C 106 ? 0.862 0.233 0.311 0.033  -0.042 0.017  107 CYS FFF N   
3373 C CA  . CYS C 106 ? 0.863 0.239 0.318 0.034  -0.040 0.008  107 CYS FFF CA  
3374 C C   . CYS C 106 ? 0.857 0.243 0.332 0.035  -0.034 0.005  107 CYS FFF C   
3375 O O   . CYS C 106 ? 0.824 0.214 0.313 0.036  -0.033 0.011  107 CYS FFF O   
3376 C CB  . CYS C 106 ? 0.866 0.242 0.331 0.038  -0.049 0.007  107 CYS FFF CB  
3377 S SG  . CYS C 106 ? 0.918 0.284 0.364 0.039  -0.060 0.009  107 CYS FFF SG  
3378 N N   . SER C 107 ? 0.861 0.252 0.338 0.036  -0.031 -0.005 108 SER FFF N   
3379 C CA  . SER C 107 ? 0.862 0.257 0.361 0.040  -0.031 -0.011 108 SER FFF CA  
3380 C C   . SER C 107 ? 0.875 0.265 0.377 0.044  -0.038 -0.020 108 SER FFF C   
3381 O O   . SER C 107 ? 0.871 0.258 0.357 0.042  -0.040 -0.022 108 SER FFF O   
3382 C CB  . SER C 107 ? 0.870 0.277 0.372 0.041  -0.022 -0.018 108 SER FFF CB  
3383 O OG  . SER C 107 ? 0.883 0.297 0.374 0.041  -0.019 -0.031 108 SER FFF OG  
3384 N N   . ASP C 108 ? 0.890 0.277 0.411 0.048  -0.044 -0.024 109 ASP FFF N   
3385 C CA  . ASP C 108 ? 0.917 0.296 0.442 0.050  -0.053 -0.033 109 ASP FFF CA  
3386 C C   . ASP C 108 ? 0.948 0.333 0.461 0.053  -0.049 -0.048 109 ASP FFF C   
3387 O O   . ASP C 108 ? 0.974 0.353 0.480 0.054  -0.054 -0.054 109 ASP FFF O   
3388 C CB  . ASP C 108 ? 0.942 0.312 0.488 0.053  -0.062 -0.034 109 ASP FFF CB  
3389 C CG  . ASP C 108 ? 0.956 0.332 0.514 0.060  -0.060 -0.044 109 ASP FFF CG  
3390 O OD1 . ASP C 108 ? 0.970 0.361 0.521 0.061  -0.048 -0.048 109 ASP FFF OD1 
3391 O OD2 . ASP C 108 ? 1.018 0.384 0.592 0.064  -0.070 -0.047 109 ASP FFF OD2 
3392 N N   . SER C 109 ? 0.950 0.350 0.459 0.054  -0.038 -0.053 110 SER FFF N   
3393 C CA  . SER C 109 ? 0.958 0.372 0.459 0.056  -0.032 -0.070 110 SER FFF CA  
3394 C C   . SER C 109 ? 0.946 0.369 0.420 0.047  -0.024 -0.066 110 SER FFF C   
3395 O O   . SER C 109 ? 0.949 0.386 0.411 0.045  -0.019 -0.079 110 SER FFF O   
3396 C CB  . SER C 109 ? 0.980 0.408 0.496 0.061  -0.027 -0.079 110 SER FFF CB  
3397 O OG  . SER C 109 ? 1.044 0.461 0.584 0.069  -0.037 -0.080 110 SER FFF OG  
3398 N N   . ASN C 110 ? 0.924 0.339 0.387 0.040  -0.022 -0.049 111 ASN FFF N   
3399 C CA  . ASN C 110 ? 0.928 0.346 0.363 0.030  -0.017 -0.043 111 ASN FFF CA  
3400 C C   . ASN C 110 ? 0.924 0.324 0.347 0.028  -0.025 -0.029 111 ASN FFF C   
3401 O O   . ASN C 110 ? 0.899 0.291 0.329 0.028  -0.027 -0.018 111 ASN FFF O   
3402 C CB  . ASN C 110 ? 0.927 0.356 0.361 0.025  -0.007 -0.039 111 ASN FFF CB  
3403 C CG  . ASN C 110 ? 0.942 0.372 0.345 0.011  -0.003 -0.031 111 ASN FFF CG  
3404 O OD1 . ASN C 110 ? 0.955 0.368 0.341 0.008  -0.010 -0.021 111 ASN FFF OD1 
3405 N ND2 . ASN C 110 ? 0.945 0.395 0.341 0.003  0.007  -0.036 111 ASN FFF ND2 
3406 N N   . TYR C 111 ? 0.939 0.333 0.344 0.026  -0.030 -0.031 112 TYR FFF N   
3407 C CA  . TYR C 111 ? 0.947 0.325 0.339 0.024  -0.039 -0.021 112 TYR FFF CA  
3408 C C   . TYR C 111 ? 0.977 0.351 0.337 0.014  -0.038 -0.014 112 TYR FFF C   
3409 O O   . TYR C 111 ? 0.978 0.366 0.326 0.006  -0.030 -0.021 112 TYR FFF O   
3410 C CB  . TYR C 111 ? 0.958 0.332 0.350 0.028  -0.047 -0.027 112 TYR FFF CB  
3411 C CG  . TYR C 111 ? 0.951 0.324 0.369 0.036  -0.053 -0.031 112 TYR FFF CG  
3412 C CD1 . TYR C 111 ? 0.931 0.307 0.372 0.039  -0.050 -0.030 112 TYR FFF CD1 
3413 C CD2 . TYR C 111 ? 0.964 0.331 0.381 0.038  -0.062 -0.034 112 TYR FFF CD2 
3414 C CE1 . TYR C 111 ? 0.937 0.310 0.399 0.042  -0.057 -0.031 112 TYR FFF CE1 
3415 C CE2 . TYR C 111 ? 0.960 0.326 0.399 0.041  -0.068 -0.036 112 TYR FFF CE2 
3416 C CZ  . TYR C 111 ? 0.935 0.302 0.395 0.043  -0.066 -0.034 112 TYR FFF CZ  
3417 O OH  . TYR C 111 ? 0.943 0.306 0.420 0.043  -0.074 -0.034 112 TYR FFF OH  
3418 N N   . PRO C 112 ? 0.989 0.347 0.335 0.012  -0.047 -0.003 113 PRO FFF N   
3419 C CA  . PRO C 112 ? 1.013 0.361 0.326 0.001  -0.049 0.005  113 PRO FFF CA  
3420 C C   . PRO C 112 ? 1.042 0.393 0.333 -0.004 -0.051 -0.001 113 PRO FFF C   
3421 O O   . PRO C 112 ? 1.042 0.392 0.342 0.003  -0.057 -0.007 113 PRO FFF O   
3422 C CB  . PRO C 112 ? 1.017 0.343 0.325 0.005  -0.063 0.017  113 PRO FFF CB  
3423 C CG  . PRO C 112 ? 0.994 0.323 0.328 0.018  -0.068 0.011  113 PRO FFF CG  
3424 C CD  . PRO C 112 ? 0.972 0.319 0.332 0.021  -0.056 0.003  113 PRO FFF CD  
3425 N N   . ARG C 113 ? 1.070 0.425 0.333 -0.019 -0.047 0.002  114 ARG FFF N   
3426 C CA  . ARG C 113 ? 1.108 0.474 0.350 -0.027 -0.046 -0.006 114 ARG FFF CA  
3427 C C   . ARG C 113 ? 1.138 0.494 0.339 -0.045 -0.051 0.007  114 ARG FFF C   
3428 O O   . ARG C 113 ? 1.155 0.528 0.336 -0.057 -0.046 0.001  114 ARG FFF O   
3429 C CB  . ARG C 113 ? 1.117 0.515 0.373 -0.027 -0.032 -0.023 114 ARG FFF CB  
3430 C CG  . ARG C 113 ? 1.140 0.543 0.424 -0.012 -0.033 -0.038 114 ARG FFF CG  
3431 C CD  . ARG C 113 ? 1.150 0.578 0.458 -0.006 -0.022 -0.054 114 ARG FFF CD  
3432 N NE  . ARG C 113 ? 1.179 0.603 0.507 -0.002 -0.019 -0.048 114 ARG FFF NE  
3433 C CZ  . ARG C 113 ? 1.194 0.637 0.539 0.000  -0.009 -0.057 114 ARG FFF CZ  
3434 N NH1 . ARG C 113 ? 1.178 0.616 0.539 0.004  -0.008 -0.049 114 ARG FFF NH1 
3435 N NH2 . ARG C 113 ? 1.222 0.693 0.568 -0.001 -0.002 -0.075 114 ARG FFF NH2 
3436 N N   . ALA C 114 ? 1.152 0.482 0.340 -0.048 -0.061 0.023  115 ALA FFF N   
3437 C CA  . ALA C 114 ? 1.184 0.499 0.332 -0.068 -0.068 0.038  115 ALA FFF CA  
3438 C C   . ALA C 114 ? 1.217 0.508 0.342 -0.067 -0.087 0.045  115 ALA FFF C   
3439 O O   . ALA C 114 ? 1.241 0.534 0.332 -0.083 -0.089 0.048  115 ALA FFF O   
3440 C CB  . ALA C 114 ? 1.179 0.475 0.323 -0.072 -0.072 0.051  115 ALA FFF CB  
3441 N N   . TRP C 115 ? 1.215 0.485 0.355 -0.050 -0.100 0.047  116 TRP FFF N   
3442 C CA  . TRP C 115 ? 1.259 0.503 0.378 -0.048 -0.121 0.054  116 TRP FFF CA  
3443 C C   . TRP C 115 ? 1.242 0.494 0.386 -0.030 -0.124 0.042  116 TRP FFF C   
3444 O O   . TRP C 115 ? 1.203 0.464 0.383 -0.015 -0.119 0.035  116 TRP FFF O   
3445 C CB  . TRP C 115 ? 1.266 0.475 0.375 -0.045 -0.138 0.068  116 TRP FFF CB  
3446 C CG  . TRP C 115 ? 1.301 0.499 0.381 -0.066 -0.137 0.082  116 TRP FFF CG  
3447 C CD1 . TRP C 115 ? 1.344 0.538 0.383 -0.089 -0.140 0.091  116 TRP FFF CD1 
3448 C CD2 . TRP C 115 ? 1.291 0.484 0.379 -0.069 -0.133 0.087  116 TRP FFF CD2 
3449 N NE1 . TRP C 115 ? 1.365 0.550 0.386 -0.107 -0.138 0.103  116 TRP FFF NE1 
3450 C CE2 . TRP C 115 ? 1.330 0.513 0.380 -0.094 -0.134 0.101  116 TRP FFF CE2 
3451 C CE3 . TRP C 115 ? 1.268 0.463 0.390 -0.054 -0.129 0.083  116 TRP FFF CE3 
3452 C CZ2 . TRP C 115 ? 1.328 0.505 0.375 -0.104 -0.131 0.109  116 TRP FFF CZ2 
3453 C CZ3 . TRP C 115 ? 1.267 0.455 0.385 -0.062 -0.126 0.091  116 TRP FFF CZ3 
3454 C CH2 . TRP C 115 ? 1.306 0.483 0.387 -0.087 -0.127 0.103  116 TRP FFF CH2 
3455 N N   . TRP C 116 ? 1.245 0.494 0.370 -0.032 -0.132 0.040  117 TRP FFF N   
3456 C CA  . TRP C 116 ? 1.237 0.500 0.381 -0.020 -0.133 0.027  117 TRP FFF CA  
3457 C C   . TRP C 116 ? 1.266 0.508 0.396 -0.014 -0.154 0.032  117 TRP FFF C   
3458 O O   . TRP C 116 ? 1.283 0.506 0.377 -0.026 -0.166 0.044  117 TRP FFF O   
3459 C CB  . TRP C 116 ? 1.252 0.540 0.388 -0.030 -0.120 0.016  117 TRP FFF CB  
3460 C CG  . TRP C 116 ? 1.238 0.550 0.391 -0.033 -0.100 0.008  117 TRP FFF CG  
3461 C CD1 . TRP C 116 ? 1.248 0.568 0.388 -0.047 -0.090 0.012  117 TRP FFF CD1 
3462 C CD2 . TRP C 116 ? 1.212 0.543 0.401 -0.021 -0.089 -0.008 117 TRP FFF CD2 
3463 N NE1 . TRP C 116 ? 1.229 0.574 0.396 -0.043 -0.074 -0.001 117 TRP FFF NE1 
3464 C CE2 . TRP C 116 ? 1.201 0.551 0.397 -0.027 -0.074 -0.013 117 TRP FFF CE2 
3465 C CE3 . TRP C 116 ? 1.202 0.536 0.416 -0.007 -0.093 -0.018 117 TRP FFF CE3 
3466 C CZ2 . TRP C 116 ? 1.180 0.548 0.408 -0.017 -0.063 -0.028 117 TRP FFF CZ2 
3467 C CZ3 . TRP C 116 ? 1.173 0.523 0.417 -0.000 -0.082 -0.031 117 TRP FFF CZ3 
3468 C CH2 . TRP C 116 ? 1.164 0.530 0.415 -0.004 -0.069 -0.036 117 TRP FFF CH2 
3469 N N   . GLY C 117 ? 1.237 0.485 0.393 0.002  -0.159 0.023  118 GLY FFF N   
3470 C CA  . GLY C 117 ? 1.256 0.493 0.400 0.008  -0.177 0.023  118 GLY FFF CA  
3471 C C   . GLY C 117 ? 1.274 0.524 0.402 -0.001 -0.173 0.016  118 GLY FFF C   
3472 O O   . GLY C 117 ? 1.248 0.517 0.376 -0.010 -0.156 0.010  118 GLY FFF O   
3473 N N   . GLN C 118 ? 1.299 0.541 0.414 0.002  -0.189 0.017  119 GLN FFF N   
3474 C CA  . GLN C 118 ? 1.334 0.588 0.433 -0.005 -0.188 0.009  119 GLN FFF CA  
3475 C C   . GLN C 118 ? 1.279 0.556 0.412 0.005  -0.178 -0.008 119 GLN FFF C   
3476 O O   . GLN C 118 ? 1.265 0.558 0.393 -0.001 -0.171 -0.018 119 GLN FFF O   
3477 C CB  . GLN C 118 ? 1.405 0.639 0.478 -0.005 -0.210 0.016  119 GLN FFF CB  
3478 C CG  . GLN C 118 ? 1.506 0.710 0.545 -0.014 -0.226 0.035  119 GLN FFF CG  
3479 C CD  . GLN C 118 ? 1.573 0.779 0.581 -0.037 -0.214 0.043  119 GLN FFF CD  
3480 O OE1 . GLN C 118 ? 1.614 0.839 0.606 -0.049 -0.205 0.037  119 GLN FFF OE1 
3481 N NE2 . GLN C 118 ? 1.603 0.792 0.601 -0.044 -0.215 0.055  119 GLN FFF NE2 
3482 N N   . GLY C 119 ? 1.231 0.509 0.396 0.019  -0.181 -0.011 120 GLY FFF N   
3483 C CA  . GLY C 119 ? 1.207 0.505 0.406 0.026  -0.173 -0.025 120 GLY FFF CA  
3484 C C   . GLY C 119 ? 1.194 0.495 0.401 0.035  -0.186 -0.030 120 GLY FFF C   
3485 O O   . GLY C 119 ? 1.223 0.513 0.407 0.035  -0.201 -0.026 120 GLY FFF O   
3486 N N   . THR C 120 ? 1.156 0.473 0.395 0.041  -0.182 -0.039 121 THR FFF N   
3487 C CA  . THR C 120 ? 1.151 0.477 0.404 0.048  -0.194 -0.046 121 THR FFF CA  
3488 C C   . THR C 120 ? 1.132 0.471 0.400 0.044  -0.185 -0.058 121 THR FFF C   
3489 O O   . THR C 120 ? 1.102 0.447 0.389 0.043  -0.173 -0.061 121 THR FFF O   
3490 C CB  . THR C 120 ? 1.136 0.466 0.411 0.058  -0.201 -0.044 121 THR FFF CB  
3491 O OG1 . THR C 120 ? 1.137 0.479 0.421 0.064  -0.214 -0.051 121 THR FFF OG1 
3492 C CG2 . THR C 120 ? 1.112 0.453 0.415 0.058  -0.189 -0.045 121 THR FFF CG2 
3493 N N   . GLN C 121 ? 1.132 0.476 0.393 0.043  -0.192 -0.066 122 GLN FFF N   
3494 C CA  . GLN C 121 ? 1.131 0.485 0.405 0.040  -0.188 -0.078 122 GLN FFF CA  
3495 C C   . GLN C 121 ? 1.100 0.465 0.406 0.043  -0.191 -0.081 122 GLN FFF C   
3496 O O   . GLN C 121 ? 1.094 0.466 0.406 0.048  -0.202 -0.079 122 GLN FFF O   
3497 C CB  . GLN C 121 ? 1.159 0.515 0.414 0.037  -0.196 -0.085 122 GLN FFF CB  
3498 C CG  . GLN C 121 ? 1.168 0.532 0.437 0.034  -0.194 -0.099 122 GLN FFF CG  
3499 C CD  . GLN C 121 ? 1.177 0.541 0.449 0.030  -0.181 -0.108 122 GLN FFF CD  
3500 O OE1 . GLN C 121 ? 1.188 0.551 0.440 0.027  -0.174 -0.107 122 GLN FFF OE1 
3501 N NE2 . GLN C 121 ? 1.176 0.542 0.470 0.030  -0.180 -0.117 122 GLN FFF NE2 
3502 N N   . VAL C 122 ? 1.078 0.446 0.404 0.039  -0.182 -0.086 123 VAL FFF N   
3503 C CA  . VAL C 122 ? 1.061 0.439 0.414 0.037  -0.185 -0.089 123 VAL FFF CA  
3504 C C   . VAL C 122 ? 1.073 0.450 0.430 0.032  -0.187 -0.100 123 VAL FFF C   
3505 O O   . VAL C 122 ? 1.073 0.441 0.428 0.030  -0.179 -0.106 123 VAL FFF O   
3506 C CB  . VAL C 122 ? 1.036 0.414 0.408 0.037  -0.177 -0.082 123 VAL FFF CB  
3507 C CG1 . VAL C 122 ? 1.021 0.409 0.418 0.031  -0.181 -0.084 123 VAL FFF CG1 
3508 C CG2 . VAL C 122 ? 1.026 0.406 0.396 0.042  -0.177 -0.072 123 VAL FFF CG2 
3509 N N   . THR C 123 ? 1.082 0.467 0.443 0.029  -0.197 -0.105 124 THR FFF N   
3510 C CA  . THR C 123 ? 1.098 0.481 0.463 0.023  -0.201 -0.117 124 THR FFF CA  
3511 C C   . THR C 123 ? 1.092 0.484 0.481 0.016  -0.207 -0.116 124 THR FFF C   
3512 O O   . THR C 123 ? 1.086 0.494 0.480 0.015  -0.214 -0.113 124 THR FFF O   
3513 C CB  . THR C 123 ? 1.116 0.502 0.461 0.024  -0.209 -0.123 124 THR FFF CB  
3514 O OG1 . THR C 123 ? 1.126 0.505 0.447 0.028  -0.203 -0.122 124 THR FFF OG1 
3515 C CG2 . THR C 123 ? 1.128 0.512 0.476 0.019  -0.214 -0.136 124 THR FFF CG2 
3516 N N   . VAL C 124 ? 1.109 0.489 0.510 0.010  -0.206 -0.118 125 VAL FFF N   
3517 C CA  . VAL C 124 ? 1.122 0.506 0.543 -0.002 -0.213 -0.116 125 VAL FFF CA  
3518 C C   . VAL C 124 ? 1.153 0.527 0.572 -0.008 -0.222 -0.128 125 VAL FFF C   
3519 O O   . VAL C 124 ? 1.163 0.518 0.580 -0.006 -0.221 -0.136 125 VAL FFF O   
3520 C CB  . VAL C 124 ? 1.113 0.487 0.549 -0.005 -0.208 -0.109 125 VAL FFF CB  
3521 C CG1 . VAL C 124 ? 1.117 0.496 0.570 -0.020 -0.216 -0.104 125 VAL FFF CG1 
3522 C CG2 . VAL C 124 ? 1.093 0.475 0.529 0.002  -0.198 -0.099 125 VAL FFF CG2 
3523 N N   . SER C 125 ? 1.186 0.574 0.605 -0.014 -0.231 -0.131 126 SER FFF N   
3524 C CA  . SER C 125 ? 1.233 0.613 0.649 -0.021 -0.241 -0.142 126 SER FFF CA  
3525 C C   . SER C 125 ? 1.253 0.656 0.675 -0.031 -0.251 -0.141 126 SER FFF C   
3526 O O   . SER C 125 ? 1.261 0.685 0.692 -0.033 -0.250 -0.132 126 SER FFF O   
3527 C CB  . SER C 125 ? 1.267 0.639 0.663 -0.011 -0.239 -0.154 126 SER FFF CB  
3528 O OG  . SER C 125 ? 1.272 0.662 0.655 -0.007 -0.242 -0.154 126 SER FFF OG  
3529 N N   . SER C 126 ? 1.298 0.698 0.713 -0.035 -0.260 -0.152 127 SER FFF N   
3530 C CA  . SER C 126 ? 1.292 0.716 0.708 -0.042 -0.269 -0.154 127 SER FFF CA  
3531 C C   . SER C 126 ? 1.283 0.719 0.682 -0.029 -0.268 -0.158 127 SER FFF C   
3532 O O   . SER C 126 ? 1.314 0.768 0.710 -0.030 -0.276 -0.163 127 SER FFF O   
3533 C CB  . SER C 126 ? 1.324 0.738 0.742 -0.055 -0.281 -0.163 127 SER FFF CB  
3534 O OG  . SER C 126 ? 1.325 0.726 0.757 -0.070 -0.285 -0.157 127 SER FFF OG  
# 
