data_8TN4
# 
_entry.id   8TN4 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.399 
_audit_conform.dict_location   http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic 
# 
loop_
_database_2.database_id 
_database_2.database_code 
_database_2.pdbx_database_accession 
_database_2.pdbx_DOI 
PDB   8TN4         pdb_00008tn4 10.2210/pdb8tn4/pdb 
WWPDB D_1000276244 ?            ?                   
# 
_pdbx_audit_revision_history.ordinal             1 
_pdbx_audit_revision_history.data_content_type   'Structure model' 
_pdbx_audit_revision_history.major_revision      1 
_pdbx_audit_revision_history.minor_revision      0 
_pdbx_audit_revision_history.revision_date       2024-12-04 
# 
_pdbx_audit_revision_details.ordinal             1 
_pdbx_audit_revision_details.revision_ordinal    1 
_pdbx_audit_revision_details.data_content_type   'Structure model' 
_pdbx_audit_revision_details.provider            repository 
_pdbx_audit_revision_details.type                'Initial release' 
_pdbx_audit_revision_details.description         ? 
_pdbx_audit_revision_details.details             ? 
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        8TN4 
_pdbx_database_status.recvd_initial_deposition_date   2023-08-01 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    RCSB 
_pdbx_database_status.process_site                    RCSB 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           Y 
# 
_pdbx_contact_author.id                 3 
_pdbx_contact_author.email              wlodawer@nih.gov 
_pdbx_contact_author.name_first         Alexander 
_pdbx_contact_author.name_last          Wlodawer 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0002-5510-9703 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Li, M.'           1 ? 
'Wlodawer, A.'     2 ? 
'Temme, S.'        3 ? 
'Gildersleeve, J.' 4 ? 
# 
_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                     
;An human dPNAG-specific Monoclonal Antibody Provides Protection from a Lethal S. aureus Changenge and Reveals Unique Biofilm Feature
;
_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 'Temme, S.'        1 ? 
primary 'Li, M.'           2 ? 
primary 'Wlodawer, A.'     3 ? 
primary 'Gildersleeve, 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 'TG10, Heavy chain' 23403.158 1   ? ? ? ? 
2 polymer     man 'TG10, Light chain' 23680.141 1   ? ? ? ? 
3 non-polymer syn 'SULFATE ION'       96.063    17  ? ? ? ? 
4 non-polymer syn 'SODIUM ION'        22.990    1   ? ? ? ? 
5 water       nat water               18.015    603 ? ? ? ? 
# 
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 
;EVQLVESGGGLVQPGGSLRLSCAVSGFPFSSYWMSWVRQAPGKGLEWVANIKEDGSEKYYVDSVKGRFTISRDNAKNSLY
LQMNSLRAEDTAVYYCATDPDVGLSDSWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWN
SGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSC
;
;EVQLVESGGGLVQPGGSLRLSCAVSGFPFSSYWMSWVRQAPGKGLEWVANIKEDGSEKYYVDSVKGRFTISRDNAKNSLY
LQMNSLRAEDTAVYYCATDPDVGLSDSWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWN
SGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSC
;
H ? 
2 'polypeptide(L)' no no 
;EIVLTQSPGTLSLSPGDRATHSCRASQSVSRSYLAWYQQKPGQTPRLFIYGASNRATGIPDRFSGSGSGTYFTLTISRLE
PEDFAVYYCQQYDSAPDTFGQGTRLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNS
QESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC
;
;EIVLTQSPGTLSLSPGDRATHSCRASQSVSRSYLAWYQQKPGQTPRLFIYGASNRATGIPDRFSGSGSGTYFTLTISRLE
PEDFAVYYCQQYDSAPDTFGQGTRLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNS
QESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC
;
L ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
3 'SULFATE ION' SO4 
4 'SODIUM ION'  NA  
5 water         HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   GLU n 
1 2   VAL n 
1 3   GLN n 
1 4   LEU n 
1 5   VAL n 
1 6   GLU n 
1 7   SER n 
1 8   GLY n 
1 9   GLY n 
1 10  GLY n 
1 11  LEU n 
1 12  VAL n 
1 13  GLN n 
1 14  PRO n 
1 15  GLY n 
1 16  GLY n 
1 17  SER n 
1 18  LEU n 
1 19  ARG n 
1 20  LEU n 
1 21  SER n 
1 22  CYS n 
1 23  ALA n 
1 24  VAL n 
1 25  SER n 
1 26  GLY n 
1 27  PHE n 
1 28  PRO n 
1 29  PHE n 
1 30  SER n 
1 31  SER n 
1 32  TYR n 
1 33  TRP n 
1 34  MET n 
1 35  SER n 
1 36  TRP n 
1 37  VAL n 
1 38  ARG n 
1 39  GLN n 
1 40  ALA n 
1 41  PRO n 
1 42  GLY n 
1 43  LYS n 
1 44  GLY n 
1 45  LEU n 
1 46  GLU n 
1 47  TRP n 
1 48  VAL n 
1 49  ALA n 
1 50  ASN n 
1 51  ILE n 
1 52  LYS n 
1 53  GLU n 
1 54  ASP n 
1 55  GLY n 
1 56  SER n 
1 57  GLU n 
1 58  LYS n 
1 59  TYR n 
1 60  TYR n 
1 61  VAL n 
1 62  ASP n 
1 63  SER n 
1 64  VAL n 
1 65  LYS n 
1 66  GLY n 
1 67  ARG n 
1 68  PHE n 
1 69  THR n 
1 70  ILE n 
1 71  SER n 
1 72  ARG n 
1 73  ASP n 
1 74  ASN n 
1 75  ALA n 
1 76  LYS n 
1 77  ASN n 
1 78  SER n 
1 79  LEU n 
1 80  TYR n 
1 81  LEU n 
1 82  GLN n 
1 83  MET n 
1 84  ASN n 
1 85  SER n 
1 86  LEU n 
1 87  ARG n 
1 88  ALA n 
1 89  GLU n 
1 90  ASP n 
1 91  THR n 
1 92  ALA n 
1 93  VAL n 
1 94  TYR n 
1 95  TYR n 
1 96  CYS n 
1 97  ALA n 
1 98  THR n 
1 99  ASP n 
1 100 PRO n 
1 101 ASP n 
1 102 VAL n 
1 103 GLY n 
1 104 LEU n 
1 105 SER n 
1 106 ASP n 
1 107 SER n 
1 108 TRP n 
1 109 GLY n 
1 110 GLN n 
1 111 GLY n 
1 112 THR n 
1 113 LEU n 
1 114 VAL n 
1 115 THR n 
1 116 VAL n 
1 117 SER n 
1 118 SER n 
1 119 ALA n 
1 120 SER n 
1 121 THR n 
1 122 LYS n 
1 123 GLY n 
1 124 PRO n 
1 125 SER n 
1 126 VAL n 
1 127 PHE n 
1 128 PRO n 
1 129 LEU n 
1 130 ALA n 
1 131 PRO n 
1 132 SER n 
1 133 SER n 
1 134 LYS n 
1 135 SER n 
1 136 THR n 
1 137 SER n 
1 138 GLY n 
1 139 GLY n 
1 140 THR n 
1 141 ALA n 
1 142 ALA n 
1 143 LEU n 
1 144 GLY n 
1 145 CYS n 
1 146 LEU n 
1 147 VAL n 
1 148 LYS n 
1 149 ASP n 
1 150 TYR n 
1 151 PHE n 
1 152 PRO n 
1 153 GLU n 
1 154 PRO n 
1 155 VAL n 
1 156 THR n 
1 157 VAL n 
1 158 SER n 
1 159 TRP n 
1 160 ASN n 
1 161 SER n 
1 162 GLY n 
1 163 ALA n 
1 164 LEU n 
1 165 THR n 
1 166 SER n 
1 167 GLY n 
1 168 VAL n 
1 169 HIS n 
1 170 THR n 
1 171 PHE n 
1 172 PRO n 
1 173 ALA n 
1 174 VAL n 
1 175 LEU n 
1 176 GLN n 
1 177 SER n 
1 178 SER n 
1 179 GLY n 
1 180 LEU n 
1 181 TYR n 
1 182 SER n 
1 183 LEU n 
1 184 SER n 
1 185 SER n 
1 186 VAL n 
1 187 VAL n 
1 188 THR n 
1 189 VAL n 
1 190 PRO n 
1 191 SER n 
1 192 SER n 
1 193 SER n 
1 194 LEU n 
1 195 GLY n 
1 196 THR n 
1 197 GLN n 
1 198 THR n 
1 199 TYR n 
1 200 ILE n 
1 201 CYS n 
1 202 ASN n 
1 203 VAL n 
1 204 ASN n 
1 205 HIS n 
1 206 LYS n 
1 207 PRO n 
1 208 SER n 
1 209 ASN n 
1 210 THR n 
1 211 LYS n 
1 212 VAL n 
1 213 ASP n 
1 214 LYS n 
1 215 LYS n 
1 216 VAL n 
1 217 GLU n 
1 218 PRO n 
1 219 LYS n 
1 220 SER n 
1 221 CYS n 
2 1   GLU n 
2 2   ILE n 
2 3   VAL n 
2 4   LEU n 
2 5   THR n 
2 6   GLN n 
2 7   SER n 
2 8   PRO n 
2 9   GLY n 
2 10  THR n 
2 11  LEU n 
2 12  SER n 
2 13  LEU n 
2 14  SER n 
2 15  PRO n 
2 16  GLY n 
2 17  ASP n 
2 18  ARG n 
2 19  ALA n 
2 20  THR n 
2 21  HIS n 
2 22  SER n 
2 23  CYS n 
2 24  ARG n 
2 25  ALA n 
2 26  SER n 
2 27  GLN n 
2 28  SER n 
2 29  VAL n 
2 30  SER n 
2 31  ARG n 
2 32  SER n 
2 33  TYR n 
2 34  LEU n 
2 35  ALA n 
2 36  TRP n 
2 37  TYR n 
2 38  GLN n 
2 39  GLN n 
2 40  LYS n 
2 41  PRO n 
2 42  GLY n 
2 43  GLN n 
2 44  THR n 
2 45  PRO n 
2 46  ARG n 
2 47  LEU n 
2 48  PHE n 
2 49  ILE n 
2 50  TYR n 
2 51  GLY n 
2 52  ALA n 
2 53  SER n 
2 54  ASN n 
2 55  ARG n 
2 56  ALA n 
2 57  THR n 
2 58  GLY n 
2 59  ILE n 
2 60  PRO n 
2 61  ASP n 
2 62  ARG n 
2 63  PHE n 
2 64  SER n 
2 65  GLY n 
2 66  SER n 
2 67  GLY n 
2 68  SER n 
2 69  GLY n 
2 70  THR n 
2 71  TYR n 
2 72  PHE n 
2 73  THR n 
2 74  LEU n 
2 75  THR n 
2 76  ILE n 
2 77  SER n 
2 78  ARG n 
2 79  LEU n 
2 80  GLU n 
2 81  PRO n 
2 82  GLU n 
2 83  ASP n 
2 84  PHE n 
2 85  ALA n 
2 86  VAL n 
2 87  TYR n 
2 88  TYR n 
2 89  CYS n 
2 90  GLN n 
2 91  GLN n 
2 92  TYR n 
2 93  ASP n 
2 94  SER n 
2 95  ALA n 
2 96  PRO n 
2 97  ASP n 
2 98  THR n 
2 99  PHE n 
2 100 GLY n 
2 101 GLN n 
2 102 GLY n 
2 103 THR n 
2 104 ARG n 
2 105 LEU n 
2 106 GLU n 
2 107 ILE n 
2 108 LYS n 
2 109 ARG n 
2 110 THR n 
2 111 VAL n 
2 112 ALA n 
2 113 ALA n 
2 114 PRO n 
2 115 SER n 
2 116 VAL n 
2 117 PHE n 
2 118 ILE n 
2 119 PHE n 
2 120 PRO n 
2 121 PRO n 
2 122 SER n 
2 123 ASP n 
2 124 GLU n 
2 125 GLN n 
2 126 LEU n 
2 127 LYS n 
2 128 SER n 
2 129 GLY n 
2 130 THR n 
2 131 ALA n 
2 132 SER n 
2 133 VAL n 
2 134 VAL n 
2 135 CYS n 
2 136 LEU n 
2 137 LEU n 
2 138 ASN n 
2 139 ASN n 
2 140 PHE n 
2 141 TYR n 
2 142 PRO n 
2 143 ARG n 
2 144 GLU n 
2 145 ALA n 
2 146 LYS n 
2 147 VAL n 
2 148 GLN n 
2 149 TRP n 
2 150 LYS n 
2 151 VAL n 
2 152 ASP n 
2 153 ASN n 
2 154 ALA n 
2 155 LEU n 
2 156 GLN n 
2 157 SER n 
2 158 GLY n 
2 159 ASN n 
2 160 SER n 
2 161 GLN n 
2 162 GLU n 
2 163 SER n 
2 164 VAL n 
2 165 THR n 
2 166 GLU n 
2 167 GLN n 
2 168 ASP n 
2 169 SER n 
2 170 LYS n 
2 171 ASP n 
2 172 SER n 
2 173 THR n 
2 174 TYR n 
2 175 SER n 
2 176 LEU n 
2 177 SER n 
2 178 SER n 
2 179 THR n 
2 180 LEU n 
2 181 THR n 
2 182 LEU n 
2 183 SER n 
2 184 LYS n 
2 185 ALA n 
2 186 ASP n 
2 187 TYR n 
2 188 GLU n 
2 189 LYS n 
2 190 HIS n 
2 191 LYS n 
2 192 VAL n 
2 193 TYR n 
2 194 ALA n 
2 195 CYS n 
2 196 GLU n 
2 197 VAL n 
2 198 THR n 
2 199 HIS n 
2 200 GLN n 
2 201 GLY n 
2 202 LEU n 
2 203 SER n 
2 204 SER n 
2 205 PRO n 
2 206 VAL n 
2 207 THR n 
2 208 LYS n 
2 209 SER n 
2 210 PHE n 
2 211 ASN n 
2 212 ARG n 
2 213 GLY n 
2 214 GLU n 
2 215 CYS 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' 1 221 human ? ? ? ? ? ? ? ? 'Homo sapiens' 9606 ? ? ? ? ? ? ? human 'Homo sapiens' 9606 ? ? ? ? ? 
? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 
2 1 sample 'Biological sequence' 1 215 human ? ? ? ? ? ? ? ? 'Homo sapiens' 9606 ? ? ? ? ? ? ? human 'Homo sapiens' 9606 ? ? ? ? ? 
? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
ALA 'L-peptide linking' y ALANINE         ? 'C3 H7 N O2'     89.093  
ARG 'L-peptide linking' y ARGININE        ? 'C6 H15 N4 O2 1' 175.209 
ASN 'L-peptide linking' y ASPARAGINE      ? 'C4 H8 N2 O3'    132.118 
ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4'     133.103 
CYS 'L-peptide linking' y CYSTEINE        ? 'C3 H7 N O2 S'   121.158 
GLN 'L-peptide linking' y GLUTAMINE       ? 'C5 H10 N2 O3'   146.144 
GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4'     147.129 
GLY 'peptide linking'   y GLYCINE         ? 'C2 H5 N O2'     75.067  
HIS 'L-peptide linking' y HISTIDINE       ? 'C6 H10 N3 O2 1' 156.162 
HOH non-polymer         . WATER           ? 'H2 O'           18.015  
ILE 'L-peptide linking' y ISOLEUCINE      ? 'C6 H13 N O2'    131.173 
LEU 'L-peptide linking' y LEUCINE         ? 'C6 H13 N O2'    131.173 
LYS 'L-peptide linking' y LYSINE          ? 'C6 H15 N2 O2 1' 147.195 
MET 'L-peptide linking' y METHIONINE      ? 'C5 H11 N O2 S'  149.211 
NA  non-polymer         . 'SODIUM ION'    ? 'Na 1'           22.990  
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 
SO4 non-polymer         . 'SULFATE ION'   ? 'O4 S -2'        96.063  
THR 'L-peptide linking' y THREONINE       ? 'C4 H9 N O3'     119.119 
TRP 'L-peptide linking' y TRYPTOPHAN      ? 'C11 H12 N2 O2'  204.225 
TYR 'L-peptide linking' y TYROSINE        ? 'C9 H11 N O3'    181.189 
VAL 'L-peptide linking' y VALINE          ? 'C5 H11 N O2'    117.146 
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1   GLU 1   1   1   GLU GLU H . n 
A 1 2   VAL 2   2   2   VAL VAL H . n 
A 1 3   GLN 3   3   3   GLN GLN H . n 
A 1 4   LEU 4   4   4   LEU LEU H . n 
A 1 5   VAL 5   5   5   VAL VAL H . n 
A 1 6   GLU 6   6   6   GLU GLU H . n 
A 1 7   SER 7   7   7   SER SER H . n 
A 1 8   GLY 8   8   8   GLY GLY H . n 
A 1 9   GLY 9   9   9   GLY GLY H . n 
A 1 10  GLY 10  11  11  GLY GLY H . n 
A 1 11  LEU 11  12  12  LEU LEU H . n 
A 1 12  VAL 12  13  13  VAL VAL H . n 
A 1 13  GLN 13  14  14  GLN GLN H . n 
A 1 14  PRO 14  15  15  PRO PRO H . n 
A 1 15  GLY 15  16  16  GLY GLY H . n 
A 1 16  GLY 16  17  17  GLY GLY H . n 
A 1 17  SER 17  18  18  SER SER H . n 
A 1 18  LEU 18  19  19  LEU LEU H . n 
A 1 19  ARG 19  20  20  ARG ARG H . n 
A 1 20  LEU 20  21  21  LEU LEU H . n 
A 1 21  SER 21  22  22  SER SER H . n 
A 1 22  CYS 22  23  23  CYS CYS H . n 
A 1 23  ALA 23  24  24  ALA ALA H . n 
A 1 24  VAL 24  25  25  VAL VAL H . n 
A 1 25  SER 25  26  26  SER SER H . n 
A 1 26  GLY 26  27  27  GLY GLY H . n 
A 1 27  PHE 27  28  28  PHE PHE H . n 
A 1 28  PRO 28  29  29  PRO PRO H . n 
A 1 29  PHE 29  30  30  PHE PHE H . n 
A 1 30  SER 30  35  35  SER SER H . n 
A 1 31  SER 31  36  36  SER SER H . n 
A 1 32  TYR 32  37  37  TYR TYR H . n 
A 1 33  TRP 33  38  38  TRP TRP H . n 
A 1 34  MET 34  39  39  MET MET H . n 
A 1 35  SER 35  40  40  SER SER H . n 
A 1 36  TRP 36  41  41  TRP TRP H . n 
A 1 37  VAL 37  42  42  VAL VAL H . n 
A 1 38  ARG 38  43  43  ARG ARG H . n 
A 1 39  GLN 39  44  44  GLN GLN H . n 
A 1 40  ALA 40  45  45  ALA ALA H . n 
A 1 41  PRO 41  46  46  PRO PRO H . n 
A 1 42  GLY 42  47  47  GLY GLY H . n 
A 1 43  LYS 43  48  48  LYS LYS H . n 
A 1 44  GLY 44  49  49  GLY GLY H . n 
A 1 45  LEU 45  50  50  LEU LEU H . n 
A 1 46  GLU 46  51  51  GLU GLU H . n 
A 1 47  TRP 47  52  52  TRP TRP H . n 
A 1 48  VAL 48  53  53  VAL VAL H . n 
A 1 49  ALA 49  54  54  ALA ALA H . n 
A 1 50  ASN 50  55  55  ASN ASN H . n 
A 1 51  ILE 51  56  56  ILE ILE H . n 
A 1 52  LYS 52  57  57  LYS LYS H . n 
A 1 53  GLU 53  58  58  GLU GLU H . n 
A 1 54  ASP 54  59  59  ASP ASP H . n 
A 1 55  GLY 55  62  62  GLY GLY H . n 
A 1 56  SER 56  63  63  SER SER H . n 
A 1 57  GLU 57  64  64  GLU GLU H . n 
A 1 58  LYS 58  65  65  LYS LYS H . n 
A 1 59  TYR 59  66  66  TYR TYR H . n 
A 1 60  TYR 60  67  67  TYR TYR H . n 
A 1 61  VAL 61  68  68  VAL VAL H . n 
A 1 62  ASP 62  69  69  ASP ASP H . n 
A 1 63  SER 63  70  70  SER SER H . n 
A 1 64  VAL 64  71  71  VAL VAL H . n 
A 1 65  LYS 65  72  72  LYS LYS H . n 
A 1 66  GLY 66  74  74  GLY GLY H . n 
A 1 67  ARG 67  75  75  ARG ARG H . n 
A 1 68  PHE 68  76  76  PHE PHE H . n 
A 1 69  THR 69  77  77  THR THR H . n 
A 1 70  ILE 70  78  78  ILE ILE H . n 
A 1 71  SER 71  79  79  SER SER H . n 
A 1 72  ARG 72  80  80  ARG ARG H . n 
A 1 73  ASP 73  81  81  ASP ASP H . n 
A 1 74  ASN 74  82  82  ASN ASN H . n 
A 1 75  ALA 75  83  83  ALA ALA H . n 
A 1 76  LYS 76  84  84  LYS LYS H . n 
A 1 77  ASN 77  85  85  ASN ASN H . n 
A 1 78  SER 78  86  86  SER SER H . n 
A 1 79  LEU 79  87  87  LEU LEU H . n 
A 1 80  TYR 80  88  88  TYR TYR H . n 
A 1 81  LEU 81  89  89  LEU LEU H . n 
A 1 82  GLN 82  90  90  GLN GLN H . n 
A 1 83  MET 83  91  91  MET MET H . n 
A 1 84  ASN 84  92  92  ASN ASN H . n 
A 1 85  SER 85  93  93  SER SER H . n 
A 1 86  LEU 86  94  94  LEU LEU H . n 
A 1 87  ARG 87  95  95  ARG ARG H . n 
A 1 88  ALA 88  96  96  ALA ALA H . n 
A 1 89  GLU 89  97  97  GLU GLU H . n 
A 1 90  ASP 90  98  98  ASP ASP H . n 
A 1 91  THR 91  99  99  THR THR H . n 
A 1 92  ALA 92  100 100 ALA ALA H . n 
A 1 93  VAL 93  101 101 VAL VAL H . n 
A 1 94  TYR 94  102 102 TYR TYR H . n 
A 1 95  TYR 95  103 103 TYR TYR H . n 
A 1 96  CYS 96  104 104 CYS CYS H . n 
A 1 97  ALA 97  105 105 ALA ALA H . n 
A 1 98  THR 98  106 106 THR THR H . n 
A 1 99  ASP 99  107 107 ASP ASP H . n 
A 1 100 PRO 100 108 108 PRO PRO H . n 
A 1 101 ASP 101 109 109 ASP ASP H . n 
A 1 102 VAL 102 110 110 VAL VAL H . n 
A 1 103 GLY 103 113 113 GLY GLY H . n 
A 1 104 LEU 104 114 114 LEU LEU H . n 
A 1 105 SER 105 115 115 SER SER H . n 
A 1 106 ASP 106 116 116 ASP ASP H . n 
A 1 107 SER 107 117 117 SER SER H . n 
A 1 108 TRP 108 118 118 TRP TRP H . n 
A 1 109 GLY 109 119 119 GLY GLY H . n 
A 1 110 GLN 110 120 120 GLN GLN H . n 
A 1 111 GLY 111 121 121 GLY GLY H . n 
A 1 112 THR 112 122 122 THR THR H . n 
A 1 113 LEU 113 123 123 LEU LEU H . n 
A 1 114 VAL 114 124 124 VAL VAL H . n 
A 1 115 THR 115 125 125 THR THR H . n 
A 1 116 VAL 116 126 126 VAL VAL H . n 
A 1 117 SER 117 127 127 SER SER H . n 
A 1 118 SER 118 128 128 SER SER H . n 
A 1 119 ALA 119 129 129 ALA ALA H . n 
A 1 120 SER 120 130 130 SER SER H . n 
A 1 121 THR 121 131 131 THR THR H . n 
A 1 122 LYS 122 132 132 LYS LYS H . n 
A 1 123 GLY 123 133 133 GLY GLY H . n 
A 1 124 PRO 124 134 134 PRO PRO H . n 
A 1 125 SER 125 135 135 SER SER H . n 
A 1 126 VAL 126 136 136 VAL VAL H . n 
A 1 127 PHE 127 137 137 PHE PHE H . n 
A 1 128 PRO 128 138 138 PRO PRO H . n 
A 1 129 LEU 129 139 139 LEU LEU H . n 
A 1 130 ALA 130 140 140 ALA ALA H . n 
A 1 131 PRO 131 141 141 PRO PRO H . n 
A 1 132 SER 132 142 142 SER SER H . n 
A 1 133 SER 133 143 143 SER SER H . n 
A 1 134 LYS 134 144 144 LYS LYS H . n 
A 1 135 SER 135 145 145 SER SER H . n 
A 1 136 THR 136 146 146 THR THR H . n 
A 1 137 SER 137 147 147 SER SER H . n 
A 1 138 GLY 138 148 148 GLY GLY H . n 
A 1 139 GLY 139 149 149 GLY GLY H . n 
A 1 140 THR 140 150 150 THR THR H . n 
A 1 141 ALA 141 151 151 ALA ALA H . n 
A 1 142 ALA 142 152 152 ALA ALA H . n 
A 1 143 LEU 143 153 153 LEU LEU H . n 
A 1 144 GLY 144 154 154 GLY GLY H . n 
A 1 145 CYS 145 155 155 CYS CYS H . n 
A 1 146 LEU 146 156 156 LEU LEU H . n 
A 1 147 VAL 147 157 157 VAL VAL H . n 
A 1 148 LYS 148 158 158 LYS LYS H . n 
A 1 149 ASP 149 159 159 ASP ASP H . n 
A 1 150 TYR 150 160 160 TYR TYR H . n 
A 1 151 PHE 151 161 161 PHE PHE H . n 
A 1 152 PRO 152 162 162 PRO PRO H . n 
A 1 153 GLU 153 163 163 GLU GLU H . n 
A 1 154 PRO 154 164 164 PRO PRO H . n 
A 1 155 VAL 155 165 165 VAL VAL H . n 
A 1 156 THR 156 166 166 THR THR H . n 
A 1 157 VAL 157 167 167 VAL VAL H . n 
A 1 158 SER 158 168 168 SER SER H . n 
A 1 159 TRP 159 169 169 TRP TRP H . n 
A 1 160 ASN 160 170 170 ASN ASN H . n 
A 1 161 SER 161 171 171 SER SER H . n 
A 1 162 GLY 162 172 172 GLY GLY H . n 
A 1 163 ALA 163 173 173 ALA ALA H . n 
A 1 164 LEU 164 174 174 LEU LEU H . n 
A 1 165 THR 165 175 175 THR THR H . n 
A 1 166 SER 166 176 176 SER SER H . n 
A 1 167 GLY 167 177 177 GLY GLY H . n 
A 1 168 VAL 168 178 178 VAL VAL H . n 
A 1 169 HIS 169 179 179 HIS HIS H . n 
A 1 170 THR 170 180 180 THR THR H . n 
A 1 171 PHE 171 181 181 PHE PHE H . n 
A 1 172 PRO 172 182 182 PRO PRO H . n 
A 1 173 ALA 173 183 183 ALA ALA H . n 
A 1 174 VAL 174 184 184 VAL VAL H . n 
A 1 175 LEU 175 185 185 LEU LEU H . n 
A 1 176 GLN 176 186 186 GLN GLN H . n 
A 1 177 SER 177 187 187 SER SER H . n 
A 1 178 SER 178 188 188 SER SER H . n 
A 1 179 GLY 179 189 189 GLY GLY H . n 
A 1 180 LEU 180 190 190 LEU LEU H . n 
A 1 181 TYR 181 191 191 TYR TYR H . n 
A 1 182 SER 182 192 192 SER SER H . n 
A 1 183 LEU 183 193 193 LEU LEU H . n 
A 1 184 SER 184 194 194 SER SER H . n 
A 1 185 SER 185 195 195 SER SER H . n 
A 1 186 VAL 186 196 196 VAL VAL H . n 
A 1 187 VAL 187 197 197 VAL VAL H . n 
A 1 188 THR 188 198 198 THR THR H . n 
A 1 189 VAL 189 199 199 VAL VAL H . n 
A 1 190 PRO 190 200 200 PRO PRO H . n 
A 1 191 SER 191 201 201 SER SER H . n 
A 1 192 SER 192 202 202 SER SER H . n 
A 1 193 SER 193 203 203 SER SER H . n 
A 1 194 LEU 194 204 204 LEU LEU H . n 
A 1 195 GLY 195 205 205 GLY GLY H . n 
A 1 196 THR 196 206 206 THR THR H . n 
A 1 197 GLN 197 207 207 GLN GLN H . n 
A 1 198 THR 198 208 208 THR THR H . n 
A 1 199 TYR 199 209 209 TYR TYR H . n 
A 1 200 ILE 200 210 210 ILE ILE H . n 
A 1 201 CYS 201 211 211 CYS CYS H . n 
A 1 202 ASN 202 212 212 ASN ASN H . n 
A 1 203 VAL 203 213 213 VAL VAL H . n 
A 1 204 ASN 204 214 214 ASN ASN H . n 
A 1 205 HIS 205 215 215 HIS HIS H . n 
A 1 206 LYS 206 216 216 LYS LYS H . n 
A 1 207 PRO 207 217 217 PRO PRO H . n 
A 1 208 SER 208 218 218 SER SER H . n 
A 1 209 ASN 209 219 219 ASN ASN H . n 
A 1 210 THR 210 220 220 THR THR H . n 
A 1 211 LYS 211 221 221 LYS LYS H . n 
A 1 212 VAL 212 222 222 VAL VAL H . n 
A 1 213 ASP 213 223 223 ASP ASP H . n 
A 1 214 LYS 214 224 224 LYS LYS H . n 
A 1 215 LYS 215 225 225 LYS LYS H . n 
A 1 216 VAL 216 226 226 VAL VAL H . n 
A 1 217 GLU 217 227 227 GLU GLU H . n 
A 1 218 PRO 218 228 228 PRO PRO H . n 
A 1 219 LYS 219 229 229 LYS LYS H . n 
A 1 220 SER 220 230 230 SER SER H . n 
A 1 221 CYS 221 231 231 CYS CYS H . n 
B 2 1   GLU 1   1   1   GLU GLU L . n 
B 2 2   ILE 2   2   2   ILE ILE L . n 
B 2 3   VAL 3   3   3   VAL VAL L . n 
B 2 4   LEU 4   4   4   LEU LEU L . n 
B 2 5   THR 5   5   5   THR THR L . n 
B 2 6   GLN 6   6   6   GLN GLN L . n 
B 2 7   SER 7   7   7   SER SER L . n 
B 2 8   PRO 8   8   8   PRO PRO L . n 
B 2 9   GLY 9   9   9   GLY GLY L . n 
B 2 10  THR 10  10  10  THR THR L . n 
B 2 11  LEU 11  11  11  LEU LEU L . n 
B 2 12  SER 12  12  12  SER SER L . n 
B 2 13  LEU 13  13  13  LEU LEU L . n 
B 2 14  SER 14  14  14  SER SER L . n 
B 2 15  PRO 15  15  15  PRO PRO L . n 
B 2 16  GLY 16  16  16  GLY GLY L . n 
B 2 17  ASP 17  17  17  ASP ASP L . n 
B 2 18  ARG 18  18  18  ARG ARG L . n 
B 2 19  ALA 19  19  19  ALA ALA L . n 
B 2 20  THR 20  20  20  THR THR L . n 
B 2 21  HIS 21  21  21  HIS HIS L . n 
B 2 22  SER 22  22  22  SER SER L . n 
B 2 23  CYS 23  23  23  CYS CYS L . n 
B 2 24  ARG 24  24  24  ARG ARG L . n 
B 2 25  ALA 25  25  25  ALA ALA L . n 
B 2 26  SER 26  26  26  SER SER L . n 
B 2 27  GLN 27  27  27  GLN GLN L . n 
B 2 28  SER 28  28  28  SER SER L . n 
B 2 29  VAL 29  29  29  VAL VAL L . n 
B 2 30  SER 30  30  30  SER SER L . n 
B 2 31  ARG 31  36  36  ARG ARG L . n 
B 2 32  SER 32  37  37  SER SER L . n 
B 2 33  TYR 33  38  38  TYR TYR L . n 
B 2 34  LEU 34  39  39  LEU LEU L . n 
B 2 35  ALA 35  40  40  ALA ALA L . n 
B 2 36  TRP 36  41  41  TRP TRP L . n 
B 2 37  TYR 37  42  42  TYR TYR L . n 
B 2 38  GLN 38  43  43  GLN GLN L . n 
B 2 39  GLN 39  44  44  GLN GLN L . n 
B 2 40  LYS 40  45  45  LYS LYS L . n 
B 2 41  PRO 41  46  46  PRO PRO L . n 
B 2 42  GLY 42  47  47  GLY GLY L . n 
B 2 43  GLN 43  48  48  GLN GLN L . n 
B 2 44  THR 44  49  49  THR THR L . n 
B 2 45  PRO 45  50  50  PRO PRO L . n 
B 2 46  ARG 46  51  51  ARG ARG L . n 
B 2 47  LEU 47  52  52  LEU LEU L . n 
B 2 48  PHE 48  53  53  PHE PHE L . n 
B 2 49  ILE 49  54  54  ILE ILE L . n 
B 2 50  TYR 50  55  55  TYR TYR L . n 
B 2 51  GLY 51  56  56  GLY GLY L . n 
B 2 52  ALA 52  57  57  ALA ALA L . n 
B 2 53  SER 53  65  65  SER SER L . n 
B 2 54  ASN 54  66  66  ASN ASN L . n 
B 2 55  ARG 55  67  67  ARG ARG L . n 
B 2 56  ALA 56  68  68  ALA ALA L . n 
B 2 57  THR 57  69  69  THR THR L . n 
B 2 58  GLY 58  70  70  GLY GLY L . n 
B 2 59  ILE 59  71  71  ILE ILE L . n 
B 2 60  PRO 60  72  72  PRO PRO L . n 
B 2 61  ASP 61  74  74  ASP ASP L . n 
B 2 62  ARG 62  75  75  ARG ARG L . n 
B 2 63  PHE 63  76  76  PHE PHE L . n 
B 2 64  SER 64  77  77  SER SER L . n 
B 2 65  GLY 65  78  78  GLY GLY L . n 
B 2 66  SER 66  79  79  SER SER L . n 
B 2 67  GLY 67  80  80  GLY GLY L . n 
B 2 68  SER 68  83  83  SER SER L . n 
B 2 69  GLY 69  84  84  GLY GLY L . n 
B 2 70  THR 70  85  85  THR THR L . n 
B 2 71  TYR 71  86  86  TYR TYR L . n 
B 2 72  PHE 72  87  87  PHE PHE L . n 
B 2 73  THR 73  88  88  THR THR L . n 
B 2 74  LEU 74  89  89  LEU LEU L . n 
B 2 75  THR 75  90  90  THR THR L . n 
B 2 76  ILE 76  91  91  ILE ILE L . n 
B 2 77  SER 77  92  92  SER SER L . n 
B 2 78  ARG 78  93  93  ARG ARG L . n 
B 2 79  LEU 79  94  94  LEU LEU L . n 
B 2 80  GLU 80  95  95  GLU GLU L . n 
B 2 81  PRO 81  96  96  PRO PRO L . n 
B 2 82  GLU 82  97  97  GLU GLU L . n 
B 2 83  ASP 83  98  98  ASP ASP L . n 
B 2 84  PHE 84  99  99  PHE PHE L . n 
B 2 85  ALA 85  100 100 ALA ALA L . n 
B 2 86  VAL 86  101 101 VAL VAL L . n 
B 2 87  TYR 87  102 102 TYR TYR L . n 
B 2 88  TYR 88  103 103 TYR TYR L . n 
B 2 89  CYS 89  104 104 CYS CYS L . n 
B 2 90  GLN 90  105 105 GLN GLN L . n 
B 2 91  GLN 91  106 106 GLN GLN L . n 
B 2 92  TYR 92  107 107 TYR TYR L . n 
B 2 93  ASP 93  108 108 ASP ASP L . n 
B 2 94  SER 94  109 109 SER SER L . n 
B 2 95  ALA 95  114 114 ALA ALA L . n 
B 2 96  PRO 96  115 115 PRO PRO L . n 
B 2 97  ASP 97  116 116 ASP ASP L . n 
B 2 98  THR 98  117 117 THR THR L . n 
B 2 99  PHE 99  118 118 PHE PHE L . n 
B 2 100 GLY 100 119 119 GLY GLY L . n 
B 2 101 GLN 101 120 120 GLN GLN L . n 
B 2 102 GLY 102 121 121 GLY GLY L . n 
B 2 103 THR 103 122 122 THR THR L . n 
B 2 104 ARG 104 123 123 ARG ARG L . n 
B 2 105 LEU 105 124 124 LEU LEU L . n 
B 2 106 GLU 106 125 125 GLU GLU L . n 
B 2 107 ILE 107 126 126 ILE ILE L . n 
B 2 108 LYS 108 127 127 LYS LYS L . n 
B 2 109 ARG 109 128 128 ARG ARG L . n 
B 2 110 THR 110 129 129 THR THR L . n 
B 2 111 VAL 111 130 130 VAL VAL L . n 
B 2 112 ALA 112 131 131 ALA ALA L . n 
B 2 113 ALA 113 132 132 ALA ALA L . n 
B 2 114 PRO 114 133 133 PRO PRO L . n 
B 2 115 SER 115 134 134 SER SER L . n 
B 2 116 VAL 116 135 135 VAL VAL L . n 
B 2 117 PHE 117 136 136 PHE PHE L . n 
B 2 118 ILE 118 137 137 ILE ILE L . n 
B 2 119 PHE 119 138 138 PHE PHE L . n 
B 2 120 PRO 120 139 139 PRO PRO L . n 
B 2 121 PRO 121 140 140 PRO PRO L . n 
B 2 122 SER 122 141 141 SER SER L . n 
B 2 123 ASP 123 142 142 ASP ASP L . n 
B 2 124 GLU 124 143 143 GLU GLU L . n 
B 2 125 GLN 125 144 144 GLN GLN L . n 
B 2 126 LEU 126 145 145 LEU LEU L . n 
B 2 127 LYS 127 146 146 LYS LYS L . n 
B 2 128 SER 128 147 147 SER SER L . n 
B 2 129 GLY 129 148 148 GLY GLY L . n 
B 2 130 THR 130 149 149 THR THR L . n 
B 2 131 ALA 131 150 150 ALA ALA L . n 
B 2 132 SER 132 151 151 SER SER L . n 
B 2 133 VAL 133 152 152 VAL VAL L . n 
B 2 134 VAL 134 153 153 VAL VAL L . n 
B 2 135 CYS 135 154 154 CYS CYS L . n 
B 2 136 LEU 136 155 155 LEU LEU L . n 
B 2 137 LEU 137 156 156 LEU LEU L . n 
B 2 138 ASN 138 157 157 ASN ASN L . n 
B 2 139 ASN 139 158 158 ASN ASN L . n 
B 2 140 PHE 140 159 159 PHE PHE L . n 
B 2 141 TYR 141 160 160 TYR TYR L . n 
B 2 142 PRO 142 161 161 PRO PRO L . n 
B 2 143 ARG 143 162 162 ARG ARG L . n 
B 2 144 GLU 144 163 163 GLU GLU L . n 
B 2 145 ALA 145 164 164 ALA ALA L . n 
B 2 146 LYS 146 165 165 LYS LYS L . n 
B 2 147 VAL 147 166 166 VAL VAL L . n 
B 2 148 GLN 148 167 167 GLN GLN L . n 
B 2 149 TRP 149 168 168 TRP TRP L . n 
B 2 150 LYS 150 169 169 LYS LYS L . n 
B 2 151 VAL 151 170 170 VAL VAL L . n 
B 2 152 ASP 152 171 171 ASP ASP L . n 
B 2 153 ASN 153 172 172 ASN ASN L . n 
B 2 154 ALA 154 173 173 ALA ALA L . n 
B 2 155 LEU 155 174 174 LEU LEU L . n 
B 2 156 GLN 156 175 175 GLN GLN L . n 
B 2 157 SER 157 176 176 SER SER L . n 
B 2 158 GLY 158 177 177 GLY GLY L . n 
B 2 159 ASN 159 178 178 ASN ASN L . n 
B 2 160 SER 160 179 179 SER SER L . n 
B 2 161 GLN 161 180 180 GLN GLN L . n 
B 2 162 GLU 162 181 181 GLU GLU L . n 
B 2 163 SER 163 182 182 SER SER L . n 
B 2 164 VAL 164 183 183 VAL VAL L . n 
B 2 165 THR 165 184 184 THR THR L . n 
B 2 166 GLU 166 185 185 GLU GLU L . n 
B 2 167 GLN 167 186 186 GLN GLN L . n 
B 2 168 ASP 168 187 187 ASP ASP L . n 
B 2 169 SER 169 188 188 SER SER L . n 
B 2 170 LYS 170 189 189 LYS LYS L . n 
B 2 171 ASP 171 190 190 ASP ASP L . n 
B 2 172 SER 172 191 191 SER SER L . n 
B 2 173 THR 173 192 192 THR THR L . n 
B 2 174 TYR 174 193 193 TYR TYR L . n 
B 2 175 SER 175 194 194 SER SER L . n 
B 2 176 LEU 176 195 195 LEU LEU L . n 
B 2 177 SER 177 196 196 SER SER L . n 
B 2 178 SER 178 197 197 SER SER L . n 
B 2 179 THR 179 198 198 THR THR L . n 
B 2 180 LEU 180 199 199 LEU LEU L . n 
B 2 181 THR 181 200 200 THR THR L . n 
B 2 182 LEU 182 201 201 LEU LEU L . n 
B 2 183 SER 183 202 202 SER SER L . n 
B 2 184 LYS 184 203 203 LYS LYS L . n 
B 2 185 ALA 185 204 204 ALA ALA L . n 
B 2 186 ASP 186 205 205 ASP ASP L . n 
B 2 187 TYR 187 206 206 TYR TYR L . n 
B 2 188 GLU 188 207 207 GLU GLU L . n 
B 2 189 LYS 189 208 208 LYS LYS L . n 
B 2 190 HIS 190 209 209 HIS HIS L . n 
B 2 191 LYS 191 210 210 LYS LYS L . n 
B 2 192 VAL 192 211 211 VAL VAL L . n 
B 2 193 TYR 193 212 212 TYR TYR L . n 
B 2 194 ALA 194 213 213 ALA ALA L . n 
B 2 195 CYS 195 214 214 CYS CYS L . n 
B 2 196 GLU 196 215 215 GLU GLU L . n 
B 2 197 VAL 197 216 216 VAL VAL L . n 
B 2 198 THR 198 217 217 THR THR L . n 
B 2 199 HIS 199 218 218 HIS HIS L . n 
B 2 200 GLN 200 219 219 GLN GLN L . n 
B 2 201 GLY 201 220 220 GLY GLY L . n 
B 2 202 LEU 202 221 221 LEU LEU L . n 
B 2 203 SER 203 222 222 SER SER L . n 
B 2 204 SER 204 223 223 SER SER L . n 
B 2 205 PRO 205 224 224 PRO PRO L . n 
B 2 206 VAL 206 225 225 VAL VAL L . n 
B 2 207 THR 207 226 226 THR THR L . n 
B 2 208 LYS 208 227 227 LYS LYS L . n 
B 2 209 SER 209 228 228 SER SER L . n 
B 2 210 PHE 210 229 229 PHE PHE L . n 
B 2 211 ASN 211 230 230 ASN ASN L . n 
B 2 212 ARG 212 231 231 ARG ARG L . n 
B 2 213 GLY 213 232 232 GLY GLY L . n 
B 2 214 GLU 214 233 233 GLU GLU L . n 
B 2 215 CYS 215 234 234 CYS CYS L . 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 
C 3 SO4 1   301 6   SO4 SO4 H . 
D 3 SO4 1   302 7   SO4 SO4 H . 
E 3 SO4 1   303 8   SO4 SO4 H . 
F 3 SO4 1   304 11  SO4 SO4 H . 
G 3 SO4 1   305 12  SO4 SO4 H . 
H 3 SO4 1   306 13  SO4 SO4 H . 
I 3 SO4 1   307 14  SO4 SO4 H . 
J 3 SO4 1   308 15  SO4 SO4 H . 
K 3 SO4 1   309 19  SO4 SO4 H . 
L 4 NA  1   310 21  NA  NA  H . 
M 3 SO4 1   301 1   SO4 SO4 L . 
N 3 SO4 1   302 2   SO4 SO4 L . 
O 3 SO4 1   303 3   SO4 SO4 L . 
P 3 SO4 1   304 4   SO4 SO4 L . 
Q 3 SO4 1   305 10  SO4 SO4 L . 
R 3 SO4 1   306 16  SO4 SO4 L . 
S 3 SO4 1   307 17  SO4 SO4 L . 
T 3 SO4 1   308 20  SO4 SO4 L . 
U 5 HOH 1   401 254 HOH HOH H . 
U 5 HOH 2   402 607 HOH HOH H . 
U 5 HOH 3   403 163 HOH HOH H . 
U 5 HOH 4   404 414 HOH HOH H . 
U 5 HOH 5   405 367 HOH HOH H . 
U 5 HOH 6   406 237 HOH HOH H . 
U 5 HOH 7   407 357 HOH HOH H . 
U 5 HOH 8   408 486 HOH HOH H . 
U 5 HOH 9   409 401 HOH HOH H . 
U 5 HOH 10  410 461 HOH HOH H . 
U 5 HOH 11  411 432 HOH HOH H . 
U 5 HOH 12  412 106 HOH HOH H . 
U 5 HOH 13  413 420 HOH HOH H . 
U 5 HOH 14  414 493 HOH HOH H . 
U 5 HOH 15  415 636 HOH HOH H . 
U 5 HOH 16  416 409 HOH HOH H . 
U 5 HOH 17  417 179 HOH HOH H . 
U 5 HOH 18  418 485 HOH HOH H . 
U 5 HOH 19  419 637 HOH HOH H . 
U 5 HOH 20  420 248 HOH HOH H . 
U 5 HOH 21  421 278 HOH HOH H . 
U 5 HOH 22  422 298 HOH HOH H . 
U 5 HOH 23  423 30  HOH HOH H . 
U 5 HOH 24  424 261 HOH HOH H . 
U 5 HOH 25  425 418 HOH HOH H . 
U 5 HOH 26  426 355 HOH HOH H . 
U 5 HOH 27  427 155 HOH HOH H . 
U 5 HOH 28  428 489 HOH HOH H . 
U 5 HOH 29  429 495 HOH HOH H . 
U 5 HOH 30  430 301 HOH HOH H . 
U 5 HOH 31  431 383 HOH HOH H . 
U 5 HOH 32  432 233 HOH HOH H . 
U 5 HOH 33  433 302 HOH HOH H . 
U 5 HOH 34  434 204 HOH HOH H . 
U 5 HOH 35  435 421 HOH HOH H . 
U 5 HOH 36  436 308 HOH HOH H . 
U 5 HOH 37  437 130 HOH HOH H . 
U 5 HOH 38  438 413 HOH HOH H . 
U 5 HOH 39  439 597 HOH HOH H . 
U 5 HOH 40  440 87  HOH HOH H . 
U 5 HOH 41  441 453 HOH HOH H . 
U 5 HOH 42  442 169 HOH HOH H . 
U 5 HOH 43  443 381 HOH HOH H . 
U 5 HOH 44  444 198 HOH HOH H . 
U 5 HOH 45  445 99  HOH HOH H . 
U 5 HOH 46  446 380 HOH HOH H . 
U 5 HOH 47  447 19  HOH HOH H . 
U 5 HOH 48  448 310 HOH HOH H . 
U 5 HOH 49  449 70  HOH HOH H . 
U 5 HOH 50  450 456 HOH HOH H . 
U 5 HOH 51  451 6   HOH HOH H . 
U 5 HOH 52  452 9   HOH HOH H . 
U 5 HOH 53  453 315 HOH HOH H . 
U 5 HOH 54  454 595 HOH HOH H . 
U 5 HOH 55  455 373 HOH HOH H . 
U 5 HOH 56  456 89  HOH HOH H . 
U 5 HOH 57  457 288 HOH HOH H . 
U 5 HOH 58  458 251 HOH HOH H . 
U 5 HOH 59  459 177 HOH HOH H . 
U 5 HOH 60  460 146 HOH HOH H . 
U 5 HOH 61  461 206 HOH HOH H . 
U 5 HOH 62  462 120 HOH HOH H . 
U 5 HOH 63  463 319 HOH HOH H . 
U 5 HOH 64  464 176 HOH HOH H . 
U 5 HOH 65  465 131 HOH HOH H . 
U 5 HOH 66  466 143 HOH HOH H . 
U 5 HOH 67  467 96  HOH HOH H . 
U 5 HOH 68  468 102 HOH HOH H . 
U 5 HOH 69  469 351 HOH HOH H . 
U 5 HOH 70  470 153 HOH HOH H . 
U 5 HOH 71  471 250 HOH HOH H . 
U 5 HOH 72  472 156 HOH HOH H . 
U 5 HOH 73  473 139 HOH HOH H . 
U 5 HOH 74  474 410 HOH HOH H . 
U 5 HOH 75  475 313 HOH HOH H . 
U 5 HOH 76  476 16  HOH HOH H . 
U 5 HOH 77  477 339 HOH HOH H . 
U 5 HOH 78  478 264 HOH HOH H . 
U 5 HOH 79  479 584 HOH HOH H . 
U 5 HOH 80  480 318 HOH HOH H . 
U 5 HOH 81  481 149 HOH HOH H . 
U 5 HOH 82  482 73  HOH HOH H . 
U 5 HOH 83  483 659 HOH HOH H . 
U 5 HOH 84  484 442 HOH HOH H . 
U 5 HOH 85  485 5   HOH HOH H . 
U 5 HOH 86  486 219 HOH HOH H . 
U 5 HOH 87  487 112 HOH HOH H . 
U 5 HOH 88  488 64  HOH HOH H . 
U 5 HOH 89  489 447 HOH HOH H . 
U 5 HOH 90  490 8   HOH HOH H . 
U 5 HOH 91  491 164 HOH HOH H . 
U 5 HOH 92  492 17  HOH HOH H . 
U 5 HOH 93  493 294 HOH HOH H . 
U 5 HOH 94  494 300 HOH HOH H . 
U 5 HOH 95  495 215 HOH HOH H . 
U 5 HOH 96  496 65  HOH HOH H . 
U 5 HOH 97  497 326 HOH HOH H . 
U 5 HOH 98  498 290 HOH HOH H . 
U 5 HOH 99  499 390 HOH HOH H . 
U 5 HOH 100 500 4   HOH HOH H . 
U 5 HOH 101 501 37  HOH HOH H . 
U 5 HOH 102 502 616 HOH HOH H . 
U 5 HOH 103 503 243 HOH HOH H . 
U 5 HOH 104 504 47  HOH HOH H . 
U 5 HOH 105 505 663 HOH HOH H . 
U 5 HOH 106 506 216 HOH HOH H . 
U 5 HOH 107 507 434 HOH HOH H . 
U 5 HOH 108 508 465 HOH HOH H . 
U 5 HOH 109 509 168 HOH HOH H . 
U 5 HOH 110 510 104 HOH HOH H . 
U 5 HOH 111 511 258 HOH HOH H . 
U 5 HOH 112 512 79  HOH HOH H . 
U 5 HOH 113 513 132 HOH HOH H . 
U 5 HOH 114 514 406 HOH HOH H . 
U 5 HOH 115 515 332 HOH HOH H . 
U 5 HOH 116 516 292 HOH HOH H . 
U 5 HOH 117 517 666 HOH HOH H . 
U 5 HOH 118 518 314 HOH HOH H . 
U 5 HOH 119 519 191 HOH HOH H . 
U 5 HOH 120 520 125 HOH HOH H . 
U 5 HOH 121 521 123 HOH HOH H . 
U 5 HOH 122 522 286 HOH HOH H . 
U 5 HOH 123 523 255 HOH HOH H . 
U 5 HOH 124 524 122 HOH HOH H . 
U 5 HOH 125 525 41  HOH HOH H . 
U 5 HOH 126 526 52  HOH HOH H . 
U 5 HOH 127 527 593 HOH HOH H . 
U 5 HOH 128 528 88  HOH HOH H . 
U 5 HOH 129 529 419 HOH HOH H . 
U 5 HOH 130 530 534 HOH HOH H . 
U 5 HOH 131 531 415 HOH HOH H . 
U 5 HOH 132 532 24  HOH HOH H . 
U 5 HOH 133 533 183 HOH HOH H . 
U 5 HOH 134 534 262 HOH HOH H . 
U 5 HOH 135 535 116 HOH HOH H . 
U 5 HOH 136 536 274 HOH HOH H . 
U 5 HOH 137 537 271 HOH HOH H . 
U 5 HOH 138 538 144 HOH HOH H . 
U 5 HOH 139 539 265 HOH HOH H . 
U 5 HOH 140 540 487 HOH HOH H . 
U 5 HOH 141 541 257 HOH HOH H . 
U 5 HOH 142 542 284 HOH HOH H . 
U 5 HOH 143 543 192 HOH HOH H . 
U 5 HOH 144 544 45  HOH HOH H . 
U 5 HOH 145 545 18  HOH HOH H . 
U 5 HOH 146 546 197 HOH HOH H . 
U 5 HOH 147 547 359 HOH HOH H . 
U 5 HOH 148 548 66  HOH HOH H . 
U 5 HOH 149 549 137 HOH HOH H . 
U 5 HOH 150 550 450 HOH HOH H . 
U 5 HOH 151 551 234 HOH HOH H . 
U 5 HOH 152 552 293 HOH HOH H . 
U 5 HOH 153 553 588 HOH HOH H . 
U 5 HOH 154 554 458 HOH HOH H . 
U 5 HOH 155 555 199 HOH HOH H . 
U 5 HOH 156 556 388 HOH HOH H . 
U 5 HOH 157 557 145 HOH HOH H . 
U 5 HOH 158 558 331 HOH HOH H . 
U 5 HOH 159 559 80  HOH HOH H . 
U 5 HOH 160 560 350 HOH HOH H . 
U 5 HOH 161 561 118 HOH HOH H . 
U 5 HOH 162 562 438 HOH HOH H . 
U 5 HOH 163 563 407 HOH HOH H . 
U 5 HOH 164 564 422 HOH HOH H . 
U 5 HOH 165 565 49  HOH HOH H . 
U 5 HOH 166 566 404 HOH HOH H . 
U 5 HOH 167 567 426 HOH HOH H . 
U 5 HOH 168 568 260 HOH HOH H . 
U 5 HOH 169 569 78  HOH HOH H . 
U 5 HOH 170 570 320 HOH HOH H . 
U 5 HOH 171 571 457 HOH HOH H . 
U 5 HOH 172 572 455 HOH HOH H . 
U 5 HOH 173 573 337 HOH HOH H . 
U 5 HOH 174 574 53  HOH HOH H . 
U 5 HOH 175 575 347 HOH HOH H . 
U 5 HOH 176 576 100 HOH HOH H . 
U 5 HOH 177 577 564 HOH HOH H . 
U 5 HOH 178 578 657 HOH HOH H . 
U 5 HOH 179 579 416 HOH HOH H . 
U 5 HOH 180 580 518 HOH HOH H . 
U 5 HOH 181 581 40  HOH HOH H . 
U 5 HOH 182 582 111 HOH HOH H . 
U 5 HOH 183 583 224 HOH HOH H . 
U 5 HOH 184 584 159 HOH HOH H . 
U 5 HOH 185 585 539 HOH HOH H . 
U 5 HOH 186 586 452 HOH HOH H . 
U 5 HOH 187 587 306 HOH HOH H . 
U 5 HOH 188 588 119 HOH HOH H . 
U 5 HOH 189 589 369 HOH HOH H . 
U 5 HOH 190 590 402 HOH HOH H . 
U 5 HOH 191 591 263 HOH HOH H . 
U 5 HOH 192 592 38  HOH HOH H . 
U 5 HOH 193 593 34  HOH HOH H . 
U 5 HOH 194 594 429 HOH HOH H . 
U 5 HOH 195 595 213 HOH HOH H . 
U 5 HOH 196 596 27  HOH HOH H . 
U 5 HOH 197 597 490 HOH HOH H . 
U 5 HOH 198 598 50  HOH HOH H . 
U 5 HOH 199 599 74  HOH HOH H . 
U 5 HOH 200 600 522 HOH HOH H . 
U 5 HOH 201 601 239 HOH HOH H . 
U 5 HOH 202 602 411 HOH HOH H . 
U 5 HOH 203 603 533 HOH HOH H . 
U 5 HOH 204 604 141 HOH HOH H . 
U 5 HOH 205 605 247 HOH HOH H . 
U 5 HOH 206 606 403 HOH HOH H . 
U 5 HOH 207 607 329 HOH HOH H . 
U 5 HOH 208 608 31  HOH HOH H . 
U 5 HOH 209 609 335 HOH HOH H . 
U 5 HOH 210 610 596 HOH HOH H . 
U 5 HOH 211 611 165 HOH HOH H . 
U 5 HOH 212 612 370 HOH HOH H . 
U 5 HOH 213 613 624 HOH HOH H . 
U 5 HOH 214 614 22  HOH HOH H . 
U 5 HOH 215 615 512 HOH HOH H . 
U 5 HOH 216 616 150 HOH HOH H . 
U 5 HOH 217 617 232 HOH HOH H . 
U 5 HOH 218 618 435 HOH HOH H . 
U 5 HOH 219 619 376 HOH HOH H . 
U 5 HOH 220 620 386 HOH HOH H . 
U 5 HOH 221 621 12  HOH HOH H . 
U 5 HOH 222 622 295 HOH HOH H . 
U 5 HOH 223 623 505 HOH HOH H . 
U 5 HOH 224 624 341 HOH HOH H . 
U 5 HOH 225 625 574 HOH HOH H . 
U 5 HOH 226 626 142 HOH HOH H . 
U 5 HOH 227 627 510 HOH HOH H . 
U 5 HOH 228 628 477 HOH HOH H . 
U 5 HOH 229 629 556 HOH HOH H . 
U 5 HOH 230 630 334 HOH HOH H . 
U 5 HOH 231 631 322 HOH HOH H . 
U 5 HOH 232 632 83  HOH HOH H . 
U 5 HOH 233 633 569 HOH HOH H . 
U 5 HOH 234 634 217 HOH HOH H . 
U 5 HOH 235 635 513 HOH HOH H . 
U 5 HOH 236 636 517 HOH HOH H . 
U 5 HOH 237 637 361 HOH HOH H . 
U 5 HOH 238 638 194 HOH HOH H . 
U 5 HOH 239 639 220 HOH HOH H . 
U 5 HOH 240 640 611 HOH HOH H . 
U 5 HOH 241 641 468 HOH HOH H . 
U 5 HOH 242 642 266 HOH HOH H . 
U 5 HOH 243 643 478 HOH HOH H . 
U 5 HOH 244 644 433 HOH HOH H . 
U 5 HOH 245 645 365 HOH HOH H . 
U 5 HOH 246 646 69  HOH HOH H . 
U 5 HOH 247 647 167 HOH HOH H . 
U 5 HOH 248 648 546 HOH HOH H . 
U 5 HOH 249 649 536 HOH HOH H . 
U 5 HOH 250 650 296 HOH HOH H . 
U 5 HOH 251 651 591 HOH HOH H . 
U 5 HOH 252 652 542 HOH HOH H . 
U 5 HOH 253 653 514 HOH HOH H . 
U 5 HOH 254 654 543 HOH HOH H . 
U 5 HOH 255 655 287 HOH HOH H . 
U 5 HOH 256 656 203 HOH HOH H . 
U 5 HOH 257 657 545 HOH HOH H . 
U 5 HOH 258 658 629 HOH HOH H . 
U 5 HOH 259 659 527 HOH HOH H . 
U 5 HOH 260 660 572 HOH HOH H . 
U 5 HOH 261 661 515 HOH HOH H . 
U 5 HOH 262 662 570 HOH HOH H . 
U 5 HOH 263 663 661 HOH HOH H . 
U 5 HOH 264 664 480 HOH HOH H . 
U 5 HOH 265 665 656 HOH HOH H . 
U 5 HOH 266 666 479 HOH HOH H . 
U 5 HOH 267 667 529 HOH HOH H . 
U 5 HOH 268 668 393 HOH HOH H . 
U 5 HOH 269 669 551 HOH HOH H . 
U 5 HOH 270 670 500 HOH HOH H . 
U 5 HOH 271 671 568 HOH HOH H . 
U 5 HOH 272 672 618 HOH HOH H . 
U 5 HOH 273 673 475 HOH HOH H . 
U 5 HOH 274 674 502 HOH HOH H . 
U 5 HOH 275 675 577 HOH HOH H . 
U 5 HOH 276 676 267 HOH HOH H . 
U 5 HOH 277 677 582 HOH HOH H . 
U 5 HOH 278 678 471 HOH HOH H . 
U 5 HOH 279 679 552 HOH HOH H . 
U 5 HOH 280 680 482 HOH HOH H . 
U 5 HOH 281 681 524 HOH HOH H . 
U 5 HOH 282 682 576 HOH HOH H . 
U 5 HOH 283 683 503 HOH HOH H . 
U 5 HOH 284 684 440 HOH HOH H . 
U 5 HOH 285 685 509 HOH HOH H . 
U 5 HOH 286 686 613 HOH HOH H . 
U 5 HOH 287 687 617 HOH HOH H . 
U 5 HOH 288 688 548 HOH HOH H . 
U 5 HOH 289 689 229 HOH HOH H . 
U 5 HOH 290 690 187 HOH HOH H . 
U 5 HOH 291 691 201 HOH HOH H . 
U 5 HOH 292 692 562 HOH HOH H . 
U 5 HOH 293 693 227 HOH HOH H . 
U 5 HOH 294 694 279 HOH HOH H . 
U 5 HOH 295 695 604 HOH HOH H . 
U 5 HOH 296 696 151 HOH HOH H . 
U 5 HOH 297 697 586 HOH HOH H . 
U 5 HOH 298 698 628 HOH HOH H . 
U 5 HOH 299 699 521 HOH HOH H . 
U 5 HOH 300 700 157 HOH HOH H . 
U 5 HOH 301 701 567 HOH HOH H . 
U 5 HOH 302 702 662 HOH HOH H . 
U 5 HOH 303 703 448 HOH HOH H . 
U 5 HOH 304 704 630 HOH HOH H . 
U 5 HOH 305 705 507 HOH HOH H . 
U 5 HOH 306 706 644 HOH HOH H . 
U 5 HOH 307 707 631 HOH HOH H . 
V 5 HOH 1   401 110 HOH HOH L . 
V 5 HOH 2   402 664 HOH HOH L . 
V 5 HOH 3   403 186 HOH HOH L . 
V 5 HOH 4   404 172 HOH HOH L . 
V 5 HOH 5   405 328 HOH HOH L . 
V 5 HOH 6   406 625 HOH HOH L . 
V 5 HOH 7   407 559 HOH HOH L . 
V 5 HOH 8   408 665 HOH HOH L . 
V 5 HOH 9   409 353 HOH HOH L . 
V 5 HOH 10  410 395 HOH HOH L . 
V 5 HOH 11  411 439 HOH HOH L . 
V 5 HOH 12  412 268 HOH HOH L . 
V 5 HOH 13  413 382 HOH HOH L . 
V 5 HOH 14  414 379 HOH HOH L . 
V 5 HOH 15  415 244 HOH HOH L . 
V 5 HOH 16  416 394 HOH HOH L . 
V 5 HOH 17  417 62  HOH HOH L . 
V 5 HOH 18  418 158 HOH HOH L . 
V 5 HOH 19  419 444 HOH HOH L . 
V 5 HOH 20  420 90  HOH HOH L . 
V 5 HOH 21  421 241 HOH HOH L . 
V 5 HOH 22  422 107 HOH HOH L . 
V 5 HOH 23  423 97  HOH HOH L . 
V 5 HOH 24  424 51  HOH HOH L . 
V 5 HOH 25  425 436 HOH HOH L . 
V 5 HOH 26  426 249 HOH HOH L . 
V 5 HOH 27  427 358 HOH HOH L . 
V 5 HOH 28  428 425 HOH HOH L . 
V 5 HOH 29  429 181 HOH HOH L . 
V 5 HOH 30  430 304 HOH HOH L . 
V 5 HOH 31  431 575 HOH HOH L . 
V 5 HOH 32  432 428 HOH HOH L . 
V 5 HOH 33  433 469 HOH HOH L . 
V 5 HOH 34  434 449 HOH HOH L . 
V 5 HOH 35  435 640 HOH HOH L . 
V 5 HOH 36  436 23  HOH HOH L . 
V 5 HOH 37  437 210 HOH HOH L . 
V 5 HOH 38  438 124 HOH HOH L . 
V 5 HOH 39  439 208 HOH HOH L . 
V 5 HOH 40  440 54  HOH HOH L . 
V 5 HOH 41  441 42  HOH HOH L . 
V 5 HOH 42  442 275 HOH HOH L . 
V 5 HOH 43  443 136 HOH HOH L . 
V 5 HOH 44  444 431 HOH HOH L . 
V 5 HOH 45  445 305 HOH HOH L . 
V 5 HOH 46  446 57  HOH HOH L . 
V 5 HOH 47  447 446 HOH HOH L . 
V 5 HOH 48  448 276 HOH HOH L . 
V 5 HOH 49  449 427 HOH HOH L . 
V 5 HOH 50  450 396 HOH HOH L . 
V 5 HOH 51  451 36  HOH HOH L . 
V 5 HOH 52  452 246 HOH HOH L . 
V 5 HOH 53  453 11  HOH HOH L . 
V 5 HOH 54  454 349 HOH HOH L . 
V 5 HOH 55  455 85  HOH HOH L . 
V 5 HOH 56  456 147 HOH HOH L . 
V 5 HOH 57  457 28  HOH HOH L . 
V 5 HOH 58  458 171 HOH HOH L . 
V 5 HOH 59  459 1   HOH HOH L . 
V 5 HOH 60  460 113 HOH HOH L . 
V 5 HOH 61  461 231 HOH HOH L . 
V 5 HOH 62  462 109 HOH HOH L . 
V 5 HOH 63  463 173 HOH HOH L . 
V 5 HOH 64  464 95  HOH HOH L . 
V 5 HOH 65  465 202 HOH HOH L . 
V 5 HOH 66  466 389 HOH HOH L . 
V 5 HOH 67  467 3   HOH HOH L . 
V 5 HOH 68  468 623 HOH HOH L . 
V 5 HOH 69  469 39  HOH HOH L . 
V 5 HOH 70  470 285 HOH HOH L . 
V 5 HOH 71  471 363 HOH HOH L . 
V 5 HOH 72  472 581 HOH HOH L . 
V 5 HOH 73  473 35  HOH HOH L . 
V 5 HOH 74  474 126 HOH HOH L . 
V 5 HOH 75  475 60  HOH HOH L . 
V 5 HOH 76  476 352 HOH HOH L . 
V 5 HOH 77  477 356 HOH HOH L . 
V 5 HOH 78  478 309 HOH HOH L . 
V 5 HOH 79  479 354 HOH HOH L . 
V 5 HOH 80  480 277 HOH HOH L . 
V 5 HOH 81  481 68  HOH HOH L . 
V 5 HOH 82  482 412 HOH HOH L . 
V 5 HOH 83  483 174 HOH HOH L . 
V 5 HOH 84  484 135 HOH HOH L . 
V 5 HOH 85  485 348 HOH HOH L . 
V 5 HOH 86  486 67  HOH HOH L . 
V 5 HOH 87  487 193 HOH HOH L . 
V 5 HOH 88  488 195 HOH HOH L . 
V 5 HOH 89  489 92  HOH HOH L . 
V 5 HOH 90  490 499 HOH HOH L . 
V 5 HOH 91  491 72  HOH HOH L . 
V 5 HOH 92  492 612 HOH HOH L . 
V 5 HOH 93  493 148 HOH HOH L . 
V 5 HOH 94  494 128 HOH HOH L . 
V 5 HOH 95  495 44  HOH HOH L . 
V 5 HOH 96  496 20  HOH HOH L . 
V 5 HOH 97  497 398 HOH HOH L . 
V 5 HOH 98  498 55  HOH HOH L . 
V 5 HOH 99  499 330 HOH HOH L . 
V 5 HOH 100 500 32  HOH HOH L . 
V 5 HOH 101 501 345 HOH HOH L . 
V 5 HOH 102 502 14  HOH HOH L . 
V 5 HOH 103 503 289 HOH HOH L . 
V 5 HOH 104 504 160 HOH HOH L . 
V 5 HOH 105 505 76  HOH HOH L . 
V 5 HOH 106 506 56  HOH HOH L . 
V 5 HOH 107 507 299 HOH HOH L . 
V 5 HOH 108 508 377 HOH HOH L . 
V 5 HOH 109 509 553 HOH HOH L . 
V 5 HOH 110 510 105 HOH HOH L . 
V 5 HOH 111 511 2   HOH HOH L . 
V 5 HOH 112 512 464 HOH HOH L . 
V 5 HOH 113 513 196 HOH HOH L . 
V 5 HOH 114 514 648 HOH HOH L . 
V 5 HOH 115 515 91  HOH HOH L . 
V 5 HOH 116 516 161 HOH HOH L . 
V 5 HOH 117 517 190 HOH HOH L . 
V 5 HOH 118 518 316 HOH HOH L . 
V 5 HOH 119 519 15  HOH HOH L . 
V 5 HOH 120 520 650 HOH HOH L . 
V 5 HOH 121 521 84  HOH HOH L . 
V 5 HOH 122 522 342 HOH HOH L . 
V 5 HOH 123 523 154 HOH HOH L . 
V 5 HOH 124 524 238 HOH HOH L . 
V 5 HOH 125 525 221 HOH HOH L . 
V 5 HOH 126 526 43  HOH HOH L . 
V 5 HOH 127 527 211 HOH HOH L . 
V 5 HOH 128 528 178 HOH HOH L . 
V 5 HOH 129 529 307 HOH HOH L . 
V 5 HOH 130 530 152 HOH HOH L . 
V 5 HOH 131 531 13  HOH HOH L . 
V 5 HOH 132 532 180 HOH HOH L . 
V 5 HOH 133 533 59  HOH HOH L . 
V 5 HOH 134 534 82  HOH HOH L . 
V 5 HOH 135 535 253 HOH HOH L . 
V 5 HOH 136 536 399 HOH HOH L . 
V 5 HOH 137 537 259 HOH HOH L . 
V 5 HOH 138 538 182 HOH HOH L . 
V 5 HOH 139 539 58  HOH HOH L . 
V 5 HOH 140 540 188 HOH HOH L . 
V 5 HOH 141 541 608 HOH HOH L . 
V 5 HOH 142 542 430 HOH HOH L . 
V 5 HOH 143 543 21  HOH HOH L . 
V 5 HOH 144 544 94  HOH HOH L . 
V 5 HOH 145 545 127 HOH HOH L . 
V 5 HOH 146 546 114 HOH HOH L . 
V 5 HOH 147 547 26  HOH HOH L . 
V 5 HOH 148 548 46  HOH HOH L . 
V 5 HOH 149 549 384 HOH HOH L . 
V 5 HOH 150 550 385 HOH HOH L . 
V 5 HOH 151 551 520 HOH HOH L . 
V 5 HOH 152 552 558 HOH HOH L . 
V 5 HOH 153 553 81  HOH HOH L . 
V 5 HOH 154 554 117 HOH HOH L . 
V 5 HOH 155 555 7   HOH HOH L . 
V 5 HOH 156 556 162 HOH HOH L . 
V 5 HOH 157 557 101 HOH HOH L . 
V 5 HOH 158 558 61  HOH HOH L . 
V 5 HOH 159 559 441 HOH HOH L . 
V 5 HOH 160 560 311 HOH HOH L . 
V 5 HOH 161 561 424 HOH HOH L . 
V 5 HOH 162 562 226 HOH HOH L . 
V 5 HOH 163 563 374 HOH HOH L . 
V 5 HOH 164 564 252 HOH HOH L . 
V 5 HOH 165 565 443 HOH HOH L . 
V 5 HOH 166 566 242 HOH HOH L . 
V 5 HOH 167 567 33  HOH HOH L . 
V 5 HOH 168 568 108 HOH HOH L . 
V 5 HOH 169 569 462 HOH HOH L . 
V 5 HOH 170 570 273 HOH HOH L . 
V 5 HOH 171 571 175 HOH HOH L . 
V 5 HOH 172 572 269 HOH HOH L . 
V 5 HOH 173 573 460 HOH HOH L . 
V 5 HOH 174 574 445 HOH HOH L . 
V 5 HOH 175 575 77  HOH HOH L . 
V 5 HOH 176 576 472 HOH HOH L . 
V 5 HOH 177 577 282 HOH HOH L . 
V 5 HOH 178 578 140 HOH HOH L . 
V 5 HOH 179 579 340 HOH HOH L . 
V 5 HOH 180 580 324 HOH HOH L . 
V 5 HOH 181 581 560 HOH HOH L . 
V 5 HOH 182 582 86  HOH HOH L . 
V 5 HOH 183 583 423 HOH HOH L . 
V 5 HOH 184 584 75  HOH HOH L . 
V 5 HOH 185 585 408 HOH HOH L . 
V 5 HOH 186 586 184 HOH HOH L . 
V 5 HOH 187 587 333 HOH HOH L . 
V 5 HOH 188 588 212 HOH HOH L . 
V 5 HOH 189 589 25  HOH HOH L . 
V 5 HOH 190 590 317 HOH HOH L . 
V 5 HOH 191 591 48  HOH HOH L . 
V 5 HOH 192 592 291 HOH HOH L . 
V 5 HOH 193 593 170 HOH HOH L . 
V 5 HOH 194 594 375 HOH HOH L . 
V 5 HOH 195 595 454 HOH HOH L . 
V 5 HOH 196 596 325 HOH HOH L . 
V 5 HOH 197 597 312 HOH HOH L . 
V 5 HOH 198 598 283 HOH HOH L . 
V 5 HOH 199 599 463 HOH HOH L . 
V 5 HOH 200 600 270 HOH HOH L . 
V 5 HOH 201 601 338 HOH HOH L . 
V 5 HOH 202 602 207 HOH HOH L . 
V 5 HOH 203 603 272 HOH HOH L . 
V 5 HOH 204 604 256 HOH HOH L . 
V 5 HOH 205 605 228 HOH HOH L . 
V 5 HOH 206 606 360 HOH HOH L . 
V 5 HOH 207 607 364 HOH HOH L . 
V 5 HOH 208 608 451 HOH HOH L . 
V 5 HOH 209 609 10  HOH HOH L . 
V 5 HOH 210 610 71  HOH HOH L . 
V 5 HOH 211 611 642 HOH HOH L . 
V 5 HOH 212 612 387 HOH HOH L . 
V 5 HOH 213 613 371 HOH HOH L . 
V 5 HOH 214 614 115 HOH HOH L . 
V 5 HOH 215 615 222 HOH HOH L . 
V 5 HOH 216 616 303 HOH HOH L . 
V 5 HOH 217 617 29  HOH HOH L . 
V 5 HOH 218 618 598 HOH HOH L . 
V 5 HOH 219 619 417 HOH HOH L . 
V 5 HOH 220 620 378 HOH HOH L . 
V 5 HOH 221 621 200 HOH HOH L . 
V 5 HOH 222 622 236 HOH HOH L . 
V 5 HOH 223 623 555 HOH HOH L . 
V 5 HOH 224 624 473 HOH HOH L . 
V 5 HOH 225 625 633 HOH HOH L . 
V 5 HOH 226 626 632 HOH HOH L . 
V 5 HOH 227 627 437 HOH HOH L . 
V 5 HOH 228 628 133 HOH HOH L . 
V 5 HOH 229 629 223 HOH HOH L . 
V 5 HOH 230 630 511 HOH HOH L . 
V 5 HOH 231 631 98  HOH HOH L . 
V 5 HOH 232 632 528 HOH HOH L . 
V 5 HOH 233 633 538 HOH HOH L . 
V 5 HOH 234 634 474 HOH HOH L . 
V 5 HOH 235 635 481 HOH HOH L . 
V 5 HOH 236 636 103 HOH HOH L . 
V 5 HOH 237 637 63  HOH HOH L . 
V 5 HOH 238 638 497 HOH HOH L . 
V 5 HOH 239 639 537 HOH HOH L . 
V 5 HOH 240 640 592 HOH HOH L . 
V 5 HOH 241 641 166 HOH HOH L . 
V 5 HOH 242 642 526 HOH HOH L . 
V 5 HOH 243 643 492 HOH HOH L . 
V 5 HOH 244 644 496 HOH HOH L . 
V 5 HOH 245 645 532 HOH HOH L . 
V 5 HOH 246 646 519 HOH HOH L . 
V 5 HOH 247 647 516 HOH HOH L . 
V 5 HOH 248 648 563 HOH HOH L . 
V 5 HOH 249 649 525 HOH HOH L . 
V 5 HOH 250 650 400 HOH HOH L . 
V 5 HOH 251 651 281 HOH HOH L . 
V 5 HOH 252 652 391 HOH HOH L . 
V 5 HOH 253 653 280 HOH HOH L . 
V 5 HOH 254 654 620 HOH HOH L . 
V 5 HOH 255 655 470 HOH HOH L . 
V 5 HOH 256 656 344 HOH HOH L . 
V 5 HOH 257 657 134 HOH HOH L . 
V 5 HOH 258 658 566 HOH HOH L . 
V 5 HOH 259 659 601 HOH HOH L . 
V 5 HOH 260 660 579 HOH HOH L . 
V 5 HOH 261 661 565 HOH HOH L . 
V 5 HOH 262 662 619 HOH HOH L . 
V 5 HOH 263 663 535 HOH HOH L . 
V 5 HOH 264 664 189 HOH HOH L . 
V 5 HOH 265 665 397 HOH HOH L . 
V 5 HOH 266 666 504 HOH HOH L . 
V 5 HOH 267 667 501 HOH HOH L . 
V 5 HOH 268 668 646 HOH HOH L . 
V 5 HOH 269 669 218 HOH HOH L . 
V 5 HOH 270 670 336 HOH HOH L . 
V 5 HOH 271 671 459 HOH HOH L . 
V 5 HOH 272 672 297 HOH HOH L . 
V 5 HOH 273 673 476 HOH HOH L . 
V 5 HOH 274 674 185 HOH HOH L . 
V 5 HOH 275 675 590 HOH HOH L . 
V 5 HOH 276 676 138 HOH HOH L . 
V 5 HOH 277 677 484 HOH HOH L . 
V 5 HOH 278 678 209 HOH HOH L . 
V 5 HOH 279 679 508 HOH HOH L . 
V 5 HOH 280 680 225 HOH HOH L . 
V 5 HOH 281 681 327 HOH HOH L . 
V 5 HOH 282 682 392 HOH HOH L . 
V 5 HOH 283 683 557 HOH HOH L . 
V 5 HOH 284 684 230 HOH HOH L . 
V 5 HOH 285 685 639 HOH HOH L . 
V 5 HOH 286 686 571 HOH HOH L . 
V 5 HOH 287 687 498 HOH HOH L . 
V 5 HOH 288 688 214 HOH HOH L . 
V 5 HOH 289 689 609 HOH HOH L . 
V 5 HOH 290 690 483 HOH HOH L . 
V 5 HOH 291 691 594 HOH HOH L . 
V 5 HOH 292 692 129 HOH HOH L . 
V 5 HOH 293 693 523 HOH HOH L . 
V 5 HOH 294 694 615 HOH HOH L . 
V 5 HOH 295 695 605 HOH HOH L . 
V 5 HOH 296 696 531 HOH HOH L . 
# 
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    ? ? ? 5.8.0405 1 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? HKL-3000  ? ? ? .        2 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? SCALEPACK ? ? ? .        3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHASER    ? ? ? .        4 
# 
_cell.angle_alpha                  90.00 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.00 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  120.00 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     8TN4 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     90.254 
_cell.length_a_esd                 ? 
_cell.length_b                     90.254 
_cell.length_b_esd                 ? 
_cell.length_c                     208.830 
_cell.length_c_esd                 ? 
_cell.volume                       ? 
_cell.volume_esd                   ? 
_cell.Z_PDB                        12 
_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                         8TN4 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                179 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'P 65 2 2' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
# 
_exptl.absorpt_coefficient_mu     ? 
_exptl.absorpt_correction_T_max   ? 
_exptl.absorpt_correction_T_min   ? 
_exptl.absorpt_correction_type    ? 
_exptl.absorpt_process_details    ? 
_exptl.entry_id                   8TN4 
_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             2.61 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          52.83 
_exptl_crystal.description                  ? 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_esd   ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, HANGING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              3.5 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    '2.4 M Ammonium Sulfate' 
_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 X 16M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2021-10-29 
_diffrn_detector.pdbx_frequency               ? 
_diffrn_detector.id                           ? 
_diffrn_detector.number_of_axes               ? 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   1.000 
_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                        'APS BEAMLINE 22-ID' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        1.000 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   22-ID 
_diffrn_source.pdbx_synchrotron_site       APS 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       8TN4 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.40 
_reflns.d_resolution_low                               50.0 
_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                                     96536 
_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                           97.2 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                18.0 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          40.25 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               ? 
_reflns.pdbx_scaling_rejects                           ? 
_reflns.pdbx_d_res_high_opt                            ? 
_reflns.pdbx_d_res_low_opt                             ? 
_reflns.pdbx_d_res_opt_method                          ? 
_reflns.phase_calculation_details                      ? 
_reflns.pdbx_Rrim_I_all                                ? 
_reflns.pdbx_Rpim_I_all                                ? 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   ? 
_reflns.pdbx_CC_star                                   1.000 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.73 
_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                                    1.40 
_reflns_shell.d_res_low                                     1.42 
_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                             3362 
_reflns_shell.percent_possible_obs                          ? 
_reflns_shell.Rmerge_F_all                                  ? 
_reflns_shell.Rmerge_F_obs                                  ? 
_reflns_shell.meanI_over_sigI_gt                            ? 
_reflns_shell.meanI_over_uI_all                             ? 
_reflns_shell.meanI_over_uI_gt                              ? 
_reflns_shell.number_measured_gt                            ? 
_reflns_shell.number_unique_gt                              ? 
_reflns_shell.percent_possible_gt                           ? 
_reflns_shell.Rmerge_F_gt                                   ? 
_reflns_shell.Rmerge_I_gt                                   ? 
_reflns_shell.pdbx_redundancy                               ? 
_reflns_shell.pdbx_chi_squared                              ? 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     ? 
_reflns_shell.pdbx_Rrim_I_all                               ? 
_reflns_shell.pdbx_Rpim_I_all                               ? 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  ? 
_reflns_shell.pdbx_CC_star                                  0.751 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          ? 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  0.884 
_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]                            -0.59 
_refine.aniso_B[1][2]                            -0.29 
_refine.aniso_B[1][3]                            0.00 
_refine.aniso_B[2][2]                            -0.59 
_refine.aniso_B[2][3]                            0.00 
_refine.aniso_B[3][3]                            1.91 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               16.233 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.977 
_refine.correlation_coeff_Fo_to_Fc_free          0.966 
_refine.details                                  'HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS' 
_refine.diff_density_max                         ? 
_refine.diff_density_max_esd                     ? 
_refine.diff_density_min                         ? 
_refine.diff_density_min_esd                     ? 
_refine.diff_density_rms                         ? 
_refine.diff_density_rms_esd                     ? 
_refine.entry_id                                 8TN4 
_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                            1.40 
_refine.ls_d_res_low                             45.17 
_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                     86851 
_refine.ls_number_reflns_R_free                  2750 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    90.35 
_refine.ls_percent_reflns_R_free                 3.1 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.13652 
_refine.ls_R_factor_R_free                       0.16999 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.13546 
_refine.ls_R_Fsqd_factor_obs                     ? 
_refine.ls_R_I_factor_obs                        ? 
_refine.ls_redundancy_reflns_all                 ? 
_refine.ls_redundancy_reflns_obs                 ? 
_refine.ls_restrained_S_all                      ? 
_refine.ls_restrained_S_obs                      ? 
_refine.ls_shift_over_esd_max                    ? 
_refine.ls_shift_over_esd_mean                   ? 
_refine.ls_structure_factor_coef                 ? 
_refine.ls_weighting_details                     ? 
_refine.ls_weighting_scheme                      ? 
_refine.ls_wR_factor_all                         ? 
_refine.ls_wR_factor_obs                         ? 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_wR_factor_R_work                      ? 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.solvent_model_details                    MASK 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_R_complete                          ? 
_refine.ls_R_factor_gt                           ? 
_refine.ls_goodness_of_fit_gt                    ? 
_refine.ls_goodness_of_fit_ref                   ? 
_refine.ls_shift_over_su_max                     ? 
_refine.ls_shift_over_su_max_lt                  ? 
_refine.ls_shift_over_su_mean                    ? 
_refine.ls_shift_over_su_mean_lt                 ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          ? 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               THROUGHOUT 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       'MAXIMUM LIKELIHOOD' 
_refine.pdbx_R_Free_selection_details            RANDOM 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       0.057 
_refine.pdbx_overall_ESU_R_Free                  0.054 
_refine.pdbx_solvent_vdw_probe_radii             1.20 
_refine.pdbx_solvent_ion_probe_radii             0.80 
_refine.pdbx_solvent_shrinkage_radii             0.80 
_refine.pdbx_real_space_R                        ? 
_refine.pdbx_density_correlation                 ? 
_refine.pdbx_pd_number_of_powder_patterns        ? 
_refine.pdbx_pd_number_of_points                 ? 
_refine.pdbx_pd_meas_number_of_points            ? 
_refine.pdbx_pd_proc_ls_prof_R_factor            ? 
_refine.pdbx_pd_proc_ls_prof_wR_factor           ? 
_refine.pdbx_pd_Marquardt_correlation_coeff      ? 
_refine.pdbx_pd_Fsqrd_R_factor                   ? 
_refine.pdbx_pd_ls_matrix_band_width             ? 
_refine.pdbx_overall_phase_error                 ? 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_diffrn_id                           1 
_refine.overall_SU_B                             1.791 
_refine.overall_SU_ML                            0.031 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.overall_SU_R_free                        ? 
_refine.overall_FOM_free_R_set                   ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.pdbx_average_fsc_overall                 ? 
_refine.pdbx_average_fsc_work                    ? 
_refine.pdbx_average_fsc_free                    ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         1 
_refine_hist.details                          ? 
_refine_hist.d_res_high                       1.40 
_refine_hist.d_res_low                        45.17 
_refine_hist.number_atoms_solvent             603 
_refine_hist.number_atoms_total               3999 
_refine_hist.number_reflns_all                ? 
_refine_hist.number_reflns_obs                ? 
_refine_hist.number_reflns_R_free             ? 
_refine_hist.number_reflns_R_work             ? 
_refine_hist.R_factor_all                     ? 
_refine_hist.R_factor_obs                     ? 
_refine_hist.R_factor_R_free                  ? 
_refine_hist.R_factor_R_work                  ? 
_refine_hist.pdbx_number_residues_total       ? 
_refine_hist.pdbx_B_iso_mean_ligand           ? 
_refine_hist.pdbx_B_iso_mean_solvent          ? 
_refine_hist.pdbx_number_atoms_protein        3310 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         86 
_refine_hist.pdbx_number_atoms_lipid          ? 
_refine_hist.pdbx_number_atoms_carb           ? 
_refine_hist.pdbx_pseudo_atom_details         ? 
# 
loop_
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.criterion 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.number 
_refine_ls_restr.rejects 
_refine_ls_restr.type 
_refine_ls_restr.weight 
_refine_ls_restr.pdbx_restraint_function 
'X-RAY DIFFRACTION' ? 0.012  0.012  3541 ? r_bond_refined_d             ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.016  3166 ? r_bond_other_d               ? ? 
'X-RAY DIFFRACTION' ? 1.594  1.641  4845 ? r_angle_refined_deg          ? ? 
'X-RAY DIFFRACTION' ? 0.578  1.564  7369 ? r_angle_other_deg            ? ? 
'X-RAY DIFFRACTION' ? 7.376  5.000  448  ? r_dihedral_angle_1_deg       ? ? 
'X-RAY DIFFRACTION' ? 5.633  5.000  16   ? r_dihedral_angle_2_deg       ? ? 
'X-RAY DIFFRACTION' ? 11.537 10.000 566  ? r_dihedral_angle_3_deg       ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_dihedral_angle_4_deg       ? ? 
'X-RAY DIFFRACTION' ? 0.090  0.200  559  ? r_chiral_restr               ? ? 
'X-RAY DIFFRACTION' ? 0.009  0.020  4049 ? r_gen_planes_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.020  775  ? r_gen_planes_other           ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_nbd_refined                ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_nbd_other                  ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_nbtor_refined              ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_nbtor_other                ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_xyhbond_nbd_refined        ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_xyhbond_nbd_other          ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_metal_ion_refined          ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_metal_ion_other            ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_vdw_refined       ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_vdw_other         ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_hbond_refined     ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_hbond_other       ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_metal_ion_refined ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_metal_ion_other   ? ? 
'X-RAY DIFFRACTION' ? 2.145  1.596  1759 ? r_mcbond_it                  ? ? 
'X-RAY DIFFRACTION' ? 2.127  1.596  1759 ? r_mcbond_other               ? ? 
'X-RAY DIFFRACTION' ? 2.936  2.877  2200 ? r_mcangle_it                 ? ? 
'X-RAY DIFFRACTION' ? 2.946  2.878  2201 ? r_mcangle_other              ? ? 
'X-RAY DIFFRACTION' ? 2.110  1.842  1782 ? r_scbond_it                  ? ? 
'X-RAY DIFFRACTION' ? 1.948  1.798  1715 ? r_scbond_other               ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_scangle_it                 ? ? 
'X-RAY DIFFRACTION' ? 2.633  3.160  2538 ? r_scangle_other              ? ? 
'X-RAY DIFFRACTION' ? 5.161  22.66  4040 ? r_long_range_B_refined       ? ? 
'X-RAY DIFFRACTION' ? 4.380  18.74  3790 ? r_long_range_B_other         ? ? 
'X-RAY DIFFRACTION' ? 5.015  3.000  6707 ? r_rigid_bond_restr           ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_sphericity_free            ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_sphericity_bonded          ? ? 
# 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_ls_shell.d_res_high                       1.401 
_refine_ls_shell.d_res_low                        1.437 
_refine_ls_shell.number_reflns_all                ? 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.number_reflns_R_free             57 
_refine_ls_shell.number_reflns_R_work             2173 
_refine_ls_shell.percent_reflns_obs               30.93 
_refine_ls_shell.percent_reflns_R_free            ? 
_refine_ls_shell.R_factor_all                     ? 
_refine_ls_shell.R_factor_obs                     ? 
_refine_ls_shell.R_factor_R_free_error            ? 
_refine_ls_shell.R_factor_R_work                  0.783 
_refine_ls_shell.redundancy_reflns_all            ? 
_refine_ls_shell.redundancy_reflns_obs            ? 
_refine_ls_shell.wR_factor_all                    ? 
_refine_ls_shell.wR_factor_obs                    ? 
_refine_ls_shell.wR_factor_R_free                 ? 
_refine_ls_shell.wR_factor_R_work                 ? 
_refine_ls_shell.pdbx_R_complete                  ? 
_refine_ls_shell.pdbx_total_number_of_bins_used   20 
_refine_ls_shell.pdbx_phase_error                 ? 
_refine_ls_shell.pdbx_fsc_work                    ? 
_refine_ls_shell.pdbx_fsc_free                    ? 
_refine_ls_shell.R_factor_R_free                  0.739 
# 
_struct.entry_id                     8TN4 
_struct.title                        
;The Crystal Structure of a human monoclonal antibody (aAb), termed TG10, used to study poly-N-acetyl-glucosamine broadly expressed in biofilm-forming pathogenclonal antibody
;
_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        8TN4 
_struct_keywords.text            'monoclonal antibody, TG10, PANG, IMMUNE SYSTEM' 
_struct_keywords.pdbx_keywords   'IMMUNE SYSTEM' 
# 
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 3 ? 
E N N 3 ? 
F N N 3 ? 
G N N 3 ? 
H N N 3 ? 
I N N 3 ? 
J N N 3 ? 
K N N 3 ? 
L N N 4 ? 
M N N 3 ? 
N N N 3 ? 
O N N 3 ? 
P N N 3 ? 
Q N N 3 ? 
R N N 3 ? 
S N N 3 ? 
T N N 3 ? 
U N N 5 ? 
V N N 5 ? 
# 
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 PDB 8TN4 8TN4 ? 1 ? 1 
2 PDB 8TN4 8TN4 ? 2 ? 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 8TN4 H 1 ? 221 ? 8TN4 1 ? 231 ? 1 231 
2 2 8TN4 L 1 ? 215 ? 8TN4 1 ? 234 ? 1 234 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_and_software_defined_assembly 
_pdbx_struct_assembly.method_details       PISA 
_pdbx_struct_assembly.oligomeric_details   dimeric 
_pdbx_struct_assembly.oligomeric_count     2 
# 
loop_
_pdbx_struct_assembly_prop.biol_id 
_pdbx_struct_assembly_prop.type 
_pdbx_struct_assembly_prop.value 
_pdbx_struct_assembly_prop.details 
1 'ABSA (A^2)' 6710  ? 
1 MORE         -232  ? 
1 'SSA (A^2)'  19230 ? 
# 
_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,K,L,M,N,O,P,Q,R,S,T,U,V 
# 
_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 28  ? TYR A 32  ? PRO H 29  TYR H 37  5 ? 5 
HELX_P HELX_P2  AA2 ASN A 74  ? LYS A 76  ? ASN H 82  LYS H 84  5 ? 3 
HELX_P HELX_P3  AA3 ARG A 87  ? THR A 91  ? ARG H 95  THR H 99  5 ? 5 
HELX_P HELX_P4  AA4 PRO A 100 ? GLY A 103 ? PRO H 108 GLY H 113 5 ? 4 
HELX_P HELX_P5  AA5 SER A 161 ? ALA A 163 ? SER H 171 ALA H 173 5 ? 3 
HELX_P HELX_P6  AA6 SER A 192 ? LEU A 194 ? SER H 202 LEU H 204 5 ? 3 
HELX_P HELX_P7  AA7 LYS A 206 ? ASN A 209 ? LYS H 216 ASN H 219 5 ? 4 
HELX_P HELX_P8  AA8 SER B 30  ? SER B 32  ? SER L 30  SER L 37  5 ? 3 
HELX_P HELX_P9  AA9 GLU B 80  ? PHE B 84  ? GLU L 95  PHE L 99  5 ? 5 
HELX_P HELX_P10 AB1 SER B 122 ? LYS B 127 ? SER L 141 LYS L 146 1 ? 6 
HELX_P HELX_P11 AB2 LYS B 184 ? HIS B 190 ? LYS L 203 HIS L 209 1 ? 7 
# 
_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 22  SG  ? ? ? 1_555 A CYS 96  SG ? ? H CYS 23  H CYS 104 1_555 ? ? ? ? ? ? ? 2.178 ? ? 
disulf2 disulf ?    ? A CYS 145 SG  ? ? ? 1_555 A CYS 201 SG ? ? H CYS 155 H CYS 211 1_555 ? ? ? ? ? ? ? 2.024 ? ? 
disulf3 disulf ?    ? A CYS 221 SG  ? ? ? 1_555 B CYS 215 SG ? ? H CYS 231 L CYS 234 1_555 ? ? ? ? ? ? ? 2.226 ? ? 
disulf4 disulf ?    ? B CYS 23  SG  ? ? ? 1_555 B CYS 89  SG ? ? L CYS 23  L CYS 104 1_555 ? ? ? ? ? ? ? 2.137 ? ? 
disulf5 disulf ?    ? B CYS 135 SG  ? ? ? 1_555 B CYS 195 SG A ? L CYS 154 L CYS 214 1_555 ? ? ? ? ? ? ? 1.967 ? ? 
disulf6 disulf ?    ? B CYS 135 SG  ? ? ? 1_555 B CYS 195 SG B ? L CYS 154 L CYS 214 1_555 ? ? ? ? ? ? ? 2.159 ? ? 
covale1 covale none ? F SO4 .   S   ? ? ? 1_555 K SO4 .   S  ? ? H SO4 304 H SO4 309 1_555 ? ? ? ? ? ? ? 2.134 ? ? 
metalc1 metalc ?    ? A GLU 46  OE2 ? ? ? 1_555 L NA  .   NA ? ? H GLU 51  H NA  310 1_555 ? ? ? ? ? ? ? 3.095 ? ? 
metalc2 metalc ?    ? A GLY 138 O   ? ? ? 1_555 L NA  .   NA ? ? H GLY 148 H NA  310 8_666 ? ? ? ? ? ? ? 2.360 ? ? 
metalc3 metalc ?    ? C SO4 .   O2  ? ? ? 1_555 L NA  .   NA ? ? H SO4 301 H NA  310 1_555 ? ? ? ? ? ? ? 2.338 ? ? 
metalc4 metalc ?    ? C SO4 .   O3  ? ? ? 1_555 L NA  .   NA ? ? H SO4 301 H NA  310 1_555 ? ? ? ? ? ? ? 2.033 ? ? 
metalc5 metalc ?    ? C SO4 .   O4  ? ? ? 1_555 L NA  .   NA ? ? H SO4 301 H NA  310 1_555 ? ? ? ? ? ? ? 2.932 ? ? 
metalc6 metalc ?    ? L NA  .   NA  ? ? ? 1_555 U HOH .   O  ? ? H NA  310 H HOH 578 1_555 ? ? ? ? ? ? ? 1.985 ? ? 
# 
loop_
_struct_conn_type.id 
_struct_conn_type.criteria 
_struct_conn_type.reference 
disulf ? ? 
covale ? ? 
metalc ? ? 
# 
loop_
_pdbx_struct_conn_angle.id 
_pdbx_struct_conn_angle.ptnr1_label_atom_id 
_pdbx_struct_conn_angle.ptnr1_label_alt_id 
_pdbx_struct_conn_angle.ptnr1_label_asym_id 
_pdbx_struct_conn_angle.ptnr1_label_comp_id 
_pdbx_struct_conn_angle.ptnr1_label_seq_id 
_pdbx_struct_conn_angle.ptnr1_auth_atom_id 
_pdbx_struct_conn_angle.ptnr1_auth_asym_id 
_pdbx_struct_conn_angle.ptnr1_auth_comp_id 
_pdbx_struct_conn_angle.ptnr1_auth_seq_id 
_pdbx_struct_conn_angle.ptnr1_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr1_symmetry 
_pdbx_struct_conn_angle.ptnr2_label_atom_id 
_pdbx_struct_conn_angle.ptnr2_label_alt_id 
_pdbx_struct_conn_angle.ptnr2_label_asym_id 
_pdbx_struct_conn_angle.ptnr2_label_comp_id 
_pdbx_struct_conn_angle.ptnr2_label_seq_id 
_pdbx_struct_conn_angle.ptnr2_auth_atom_id 
_pdbx_struct_conn_angle.ptnr2_auth_asym_id 
_pdbx_struct_conn_angle.ptnr2_auth_comp_id 
_pdbx_struct_conn_angle.ptnr2_auth_seq_id 
_pdbx_struct_conn_angle.ptnr2_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr2_symmetry 
_pdbx_struct_conn_angle.ptnr3_label_atom_id 
_pdbx_struct_conn_angle.ptnr3_label_alt_id 
_pdbx_struct_conn_angle.ptnr3_label_asym_id 
_pdbx_struct_conn_angle.ptnr3_label_comp_id 
_pdbx_struct_conn_angle.ptnr3_label_seq_id 
_pdbx_struct_conn_angle.ptnr3_auth_atom_id 
_pdbx_struct_conn_angle.ptnr3_auth_asym_id 
_pdbx_struct_conn_angle.ptnr3_auth_comp_id 
_pdbx_struct_conn_angle.ptnr3_auth_seq_id 
_pdbx_struct_conn_angle.ptnr3_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr3_symmetry 
_pdbx_struct_conn_angle.value 
_pdbx_struct_conn_angle.value_esd 
1  OE2 ? A GLU 46  ? H GLU 51  ? 1_555 NA ? L NA . ? H NA 310 ? 1_555 O  ? A GLY 138 ? H GLY 148 ? 1_555 35.2  ? 
2  OE2 ? A GLU 46  ? H GLU 51  ? 1_555 NA ? L NA . ? H NA 310 ? 1_555 O2 ? C SO4 .   ? H SO4 301 ? 1_555 55.1  ? 
3  O   ? A GLY 138 ? H GLY 148 ? 1_555 NA ? L NA . ? H NA 310 ? 1_555 O2 ? C SO4 .   ? H SO4 301 ? 1_555 49.3  ? 
4  OE2 ? A GLU 46  ? H GLU 51  ? 1_555 NA ? L NA . ? H NA 310 ? 1_555 O3 ? C SO4 .   ? H SO4 301 ? 1_555 112.3 ? 
5  O   ? A GLY 138 ? H GLY 148 ? 1_555 NA ? L NA . ? H NA 310 ? 1_555 O3 ? C SO4 .   ? H SO4 301 ? 1_555 81.8  ? 
6  O2  ? C SO4 .   ? H SO4 301 ? 1_555 NA ? L NA . ? H NA 310 ? 1_555 O3 ? C SO4 .   ? H SO4 301 ? 1_555 66.2  ? 
7  OE2 ? A GLU 46  ? H GLU 51  ? 1_555 NA ? L NA . ? H NA 310 ? 1_555 O4 ? C SO4 .   ? H SO4 301 ? 1_555 64.5  ? 
8  O   ? A GLY 138 ? H GLY 148 ? 1_555 NA ? L NA . ? H NA 310 ? 1_555 O4 ? C SO4 .   ? H SO4 301 ? 1_555 30.0  ? 
9  O2  ? C SO4 .   ? H SO4 301 ? 1_555 NA ? L NA . ? H NA 310 ? 1_555 O4 ? C SO4 .   ? H SO4 301 ? 1_555 50.3  ? 
10 O3  ? C SO4 .   ? H SO4 301 ? 1_555 NA ? L NA . ? H NA 310 ? 1_555 O4 ? C SO4 .   ? H SO4 301 ? 1_555 52.7  ? 
11 OE2 ? A GLU 46  ? H GLU 51  ? 1_555 NA ? L NA . ? H NA 310 ? 1_555 O  ? U HOH .   ? H HOH 578 ? 1_555 132.4 ? 
12 O   ? A GLY 138 ? H GLY 148 ? 1_555 NA ? L NA . ? H NA 310 ? 1_555 O  ? U HOH .   ? H HOH 578 ? 1_555 162.7 ? 
13 O2  ? C SO4 .   ? H SO4 301 ? 1_555 NA ? L NA . ? H NA 310 ? 1_555 O  ? U HOH .   ? H HOH 578 ? 1_555 115.6 ? 
14 O3  ? C SO4 .   ? H SO4 301 ? 1_555 NA ? L NA . ? H NA 310 ? 1_555 O  ? U HOH .   ? H HOH 578 ? 1_555 100.3 ? 
15 O4  ? C SO4 .   ? H SO4 301 ? 1_555 NA ? L NA . ? H NA 310 ? 1_555 O  ? U HOH .   ? H HOH 578 ? 1_555 151.7 ? 
# 
loop_
_pdbx_modification_feature.ordinal 
_pdbx_modification_feature.label_comp_id 
_pdbx_modification_feature.label_asym_id 
_pdbx_modification_feature.label_seq_id 
_pdbx_modification_feature.label_alt_id 
_pdbx_modification_feature.modified_residue_label_comp_id 
_pdbx_modification_feature.modified_residue_label_asym_id 
_pdbx_modification_feature.modified_residue_label_seq_id 
_pdbx_modification_feature.modified_residue_label_alt_id 
_pdbx_modification_feature.auth_comp_id 
_pdbx_modification_feature.auth_asym_id 
_pdbx_modification_feature.auth_seq_id 
_pdbx_modification_feature.PDB_ins_code 
_pdbx_modification_feature.symmetry 
_pdbx_modification_feature.modified_residue_auth_comp_id 
_pdbx_modification_feature.modified_residue_auth_asym_id 
_pdbx_modification_feature.modified_residue_auth_seq_id 
_pdbx_modification_feature.modified_residue_PDB_ins_code 
_pdbx_modification_feature.modified_residue_symmetry 
_pdbx_modification_feature.comp_id_linking_atom 
_pdbx_modification_feature.modified_residue_id_linking_atom 
_pdbx_modification_feature.modified_residue_id 
_pdbx_modification_feature.ref_pcm_id 
_pdbx_modification_feature.ref_comp_id 
_pdbx_modification_feature.type 
_pdbx_modification_feature.category 
1 CYS A 22  ? CYS A 96  ? CYS H 23  ? 1_555 CYS H 104 ? 1_555 SG SG . . . None 'Disulfide bridge' 
2 CYS A 145 ? CYS A 201 ? CYS H 155 ? 1_555 CYS H 211 ? 1_555 SG SG . . . None 'Disulfide bridge' 
3 CYS A 221 ? CYS B 215 ? CYS H 231 ? 1_555 CYS L 234 ? 1_555 SG SG . . . None 'Disulfide bridge' 
4 CYS B 23  ? CYS B 89  ? CYS L 23  ? 1_555 CYS L 104 ? 1_555 SG SG . . . None 'Disulfide bridge' 
5 CYS B 135 ? CYS B 195 A CYS L 154 ? 1_555 CYS L 214 ? 1_555 SG SG . . . None 'Disulfide bridge' 
6 CYS B 135 ? CYS B 195 B CYS L 154 ? 1_555 CYS L 214 ? 1_555 SG SG . . . None 'Disulfide bridge' 
# 
loop_
_struct_mon_prot_cis.pdbx_id 
_struct_mon_prot_cis.label_comp_id 
_struct_mon_prot_cis.label_seq_id 
_struct_mon_prot_cis.label_asym_id 
_struct_mon_prot_cis.label_alt_id 
_struct_mon_prot_cis.pdbx_PDB_ins_code 
_struct_mon_prot_cis.auth_comp_id 
_struct_mon_prot_cis.auth_seq_id 
_struct_mon_prot_cis.auth_asym_id 
_struct_mon_prot_cis.pdbx_label_comp_id_2 
_struct_mon_prot_cis.pdbx_label_seq_id_2 
_struct_mon_prot_cis.pdbx_label_asym_id_2 
_struct_mon_prot_cis.pdbx_PDB_ins_code_2 
_struct_mon_prot_cis.pdbx_auth_comp_id_2 
_struct_mon_prot_cis.pdbx_auth_seq_id_2 
_struct_mon_prot_cis.pdbx_auth_asym_id_2 
_struct_mon_prot_cis.pdbx_PDB_model_num 
_struct_mon_prot_cis.pdbx_omega_angle 
1 PHE 151 A . ? PHE 161 H PRO 152 A ? PRO 162 H 1 -14.21 
2 GLU 153 A . ? GLU 163 H PRO 154 A ? PRO 164 H 1 -8.16  
3 SER 7   B . ? SER 7   L PRO 8   B ? PRO 8   L 1 -10.48 
4 SER 7   B . ? SER 7   L PRO 8   B ? PRO 8   L 1 -8.27  
5 SER 7   B . ? SER 7   L PRO 8   B ? PRO 8   L 1 -11.10 
6 ALA 95  B . ? ALA 114 L PRO 96  B ? PRO 115 L 1 -1.70  
7 TYR 141 B . ? TYR 160 L PRO 142 B ? PRO 161 L 1 0.24   
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 4 ? 
AA2 ? 6 ? 
AA3 ? 4 ? 
AA4 ? 4 ? 
AA5 ? 3 ? 
AA6 ? 3 ? 
AA7 ? 6 ? 
AA8 ? 4 ? 
AA9 ? 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 
AA2 1 2 ? parallel      
AA2 2 3 ? anti-parallel 
AA2 3 4 ? anti-parallel 
AA2 4 5 ? anti-parallel 
AA2 5 6 ? anti-parallel 
AA3 1 2 ? anti-parallel 
AA3 2 3 ? anti-parallel 
AA3 3 4 ? anti-parallel 
AA4 1 2 ? anti-parallel 
AA4 2 3 ? anti-parallel 
AA4 3 4 ? anti-parallel 
AA5 1 2 ? anti-parallel 
AA5 2 3 ? anti-parallel 
AA6 1 2 ? anti-parallel 
AA6 2 3 ? anti-parallel 
AA7 1 2 ? parallel      
AA7 2 3 ? anti-parallel 
AA7 3 4 ? anti-parallel 
AA7 4 5 ? anti-parallel 
AA7 5 6 ? anti-parallel 
AA8 1 2 ? anti-parallel 
AA8 2 3 ? anti-parallel 
AA8 3 4 ? anti-parallel 
AA9 1 2 ? anti-parallel 
AA9 2 3 ? anti-parallel 
AA9 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 GLN A 3   ? SER A 7   ? GLN H 3   SER H 7   
AA1 2 LEU A 18  ? SER A 25  ? LEU H 19  SER H 26  
AA1 3 SER A 78  ? MET A 83  ? SER H 86  MET H 91  
AA1 4 PHE A 68  ? ASP A 73  ? PHE H 76  ASP H 81  
AA2 1 GLY A 10  ? VAL A 12  ? GLY H 11  VAL H 13  
AA2 2 THR A 112 ? VAL A 116 ? THR H 122 VAL H 126 
AA2 3 ALA A 92  ? THR A 98  ? ALA H 100 THR H 106 
AA2 4 MET A 34  ? GLN A 39  ? MET H 39  GLN H 44  
AA2 5 LEU A 45  ? ILE A 51  ? LEU H 50  ILE H 56  
AA2 6 LYS A 58  ? TYR A 60  ? LYS H 65  TYR H 67  
AA3 1 SER A 125 ? LEU A 129 ? SER H 135 LEU H 139 
AA3 2 THR A 140 ? TYR A 150 ? THR H 150 TYR H 160 
AA3 3 TYR A 181 ? PRO A 190 ? TYR H 191 PRO H 200 
AA3 4 VAL A 168 ? THR A 170 ? VAL H 178 THR H 180 
AA4 1 SER A 125 ? LEU A 129 ? SER H 135 LEU H 139 
AA4 2 THR A 140 ? TYR A 150 ? THR H 150 TYR H 160 
AA4 3 TYR A 181 ? PRO A 190 ? TYR H 191 PRO H 200 
AA4 4 VAL A 174 ? LEU A 175 ? VAL H 184 LEU H 185 
AA5 1 THR A 156 ? TRP A 159 ? THR H 166 TRP H 169 
AA5 2 ILE A 200 ? HIS A 205 ? ILE H 210 HIS H 215 
AA5 3 THR A 210 ? LYS A 215 ? THR H 220 LYS H 225 
AA6 1 LEU B 4   ? SER B 7   ? LEU L 4   SER L 7   
AA6 2 ALA B 19  ? VAL B 29  ? ALA L 19  VAL L 29  
AA6 3 PHE B 63  ? ILE B 76  ? PHE L 76  ILE L 91  
AA7 1 THR B 10  ? LEU B 13  ? THR L 10  LEU L 13  
AA7 2 THR B 103 ? ILE B 107 ? THR L 122 ILE L 126 
AA7 3 ALA B 85  ? GLN B 91  ? ALA L 100 GLN L 106 
AA7 4 LEU B 34  ? GLN B 39  ? LEU L 39  GLN L 44  
AA7 5 ARG B 46  ? TYR B 50  ? ARG L 51  TYR L 55  
AA7 6 ASN B 54  ? ARG B 55  ? ASN L 66  ARG L 67  
AA8 1 SER B 115 ? PHE B 119 ? SER L 134 PHE L 138 
AA8 2 THR B 130 ? PHE B 140 ? THR L 149 PHE L 159 
AA8 3 TYR B 174 ? SER B 183 ? TYR L 193 SER L 202 
AA8 4 SER B 160 ? VAL B 164 ? SER L 179 VAL L 183 
AA9 1 ALA B 154 ? LEU B 155 ? ALA L 173 LEU L 174 
AA9 2 LYS B 146 ? VAL B 151 ? LYS L 165 VAL L 170 
AA9 3 VAL B 192 ? THR B 198 ? VAL L 211 THR L 217 
AA9 4 VAL B 206 ? ASN B 211 ? VAL L 225 ASN L 230 
# 
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 SER A 7   ? N SER H 7   O SER A 21  ? O SER H 22  
AA1 2 3 N LEU A 20  ? N LEU H 21  O LEU A 81  ? O LEU H 89  
AA1 3 4 O SER A 78  ? O SER H 86  N ASP A 73  ? N ASP H 81  
AA2 1 2 N VAL A 12  ? N VAL H 13  O THR A 115 ? O THR H 125 
AA2 2 3 O VAL A 114 ? O VAL H 124 N ALA A 92  ? N ALA H 100 
AA2 3 4 O TYR A 95  ? O TYR H 103 N VAL A 37  ? N VAL H 42  
AA2 4 5 N ARG A 38  ? N ARG H 43  O GLU A 46  ? O GLU H 51  
AA2 5 6 N ASN A 50  ? N ASN H 55  O TYR A 59  ? O TYR H 66  
AA3 1 2 N LEU A 129 ? N LEU H 139 O GLY A 144 ? O GLY H 154 
AA3 2 3 N VAL A 147 ? N VAL H 157 O LEU A 183 ? O LEU H 193 
AA3 3 4 O VAL A 186 ? O VAL H 196 N HIS A 169 ? N HIS H 179 
AA4 1 2 N LEU A 129 ? N LEU H 139 O GLY A 144 ? O GLY H 154 
AA4 2 3 N VAL A 147 ? N VAL H 157 O LEU A 183 ? O LEU H 193 
AA4 3 4 O SER A 182 ? O SER H 192 N VAL A 174 ? N VAL H 184 
AA5 1 2 N SER A 158 ? N SER H 168 O ASN A 202 ? O ASN H 212 
AA5 2 3 N VAL A 203 ? N VAL H 213 O VAL A 212 ? O VAL H 222 
AA6 1 2 N THR B 5   ? N THR L 5   O ARG B 24  ? O ARG L 24  
AA6 2 3 N CYS B 23  ? N CYS L 23  O PHE B 72  ? O PHE L 87  
AA7 1 2 N LEU B 11  ? N LEU L 11  O GLU B 106 ? O GLU L 125 
AA7 2 3 O LEU B 105 ? O LEU L 124 N ALA B 85  ? N ALA L 100 
AA7 3 4 O GLN B 90  ? O GLN L 105 N ALA B 35  ? N ALA L 40  
AA7 4 5 N TRP B 36  ? N TRP L 41  O PHE B 48  ? O PHE L 53  
AA7 5 6 N TYR B 50  ? N TYR L 55  O ASN B 54  ? O ASN L 66  
AA8 1 2 N SER B 115 ? N SER L 134 O ASN B 138 ? O ASN L 157 
AA8 2 3 N CYS B 135 ? N CYS L 154 O SER B 178 ? O SER L 197 
AA8 3 4 O THR B 179 ? O THR L 198 N GLN B 161 ? N GLN L 180 
AA9 1 2 O ALA B 154 ? O ALA L 173 N VAL B 151 ? N VAL L 170 
AA9 2 3 N GLN B 148 ? N GLN L 167 O GLU B 196 ? O GLU L 215 
AA9 3 4 N VAL B 197 ? N VAL L 216 O VAL B 206 ? O VAL L 225 
# 
_pdbx_entry_details.entry_id                   8TN4 
_pdbx_entry_details.has_ligand_of_interest     N 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.has_protein_modification   Y 
# 
loop_
_pdbx_validate_close_contact.id 
_pdbx_validate_close_contact.PDB_model_num 
_pdbx_validate_close_contact.auth_atom_id_1 
_pdbx_validate_close_contact.auth_asym_id_1 
_pdbx_validate_close_contact.auth_comp_id_1 
_pdbx_validate_close_contact.auth_seq_id_1 
_pdbx_validate_close_contact.PDB_ins_code_1 
_pdbx_validate_close_contact.label_alt_id_1 
_pdbx_validate_close_contact.auth_atom_id_2 
_pdbx_validate_close_contact.auth_asym_id_2 
_pdbx_validate_close_contact.auth_comp_id_2 
_pdbx_validate_close_contact.auth_seq_id_2 
_pdbx_validate_close_contact.PDB_ins_code_2 
_pdbx_validate_close_contact.label_alt_id_2 
_pdbx_validate_close_contact.dist 
1  1 O   L HOH 544 ? ? O L HOH 560 ? ? 1.51 
2  1 O   L HOH 435 ? ? O L HOH 480 ? ? 1.55 
3  1 O   L HOH 404 ? ? O L HOH 529 ? ? 1.65 
4  1 O   L HOH 653 ? ? O L HOH 689 ? ? 1.82 
5  1 O   H HOH 420 ? ? O H HOH 442 ? ? 1.85 
6  1 O   L HOH 448 ? ? O L HOH 601 ? ? 1.91 
7  1 NE2 L GLN 48  ? ? O L HOH 401 ? ? 2.02 
8  1 OE2 L GLU 97  ? ? O L HOH 402 ? ? 2.04 
9  1 O   H HOH 506 ? ? O H HOH 625 ? ? 2.06 
10 1 O   H HOH 660 ? ? O H HOH 703 ? ? 2.08 
11 1 NH2 L ARG 51  ? ? O L HOH 403 ? ? 2.10 
12 1 O   H HOH 489 ? ? O H HOH 622 ? ? 2.12 
13 1 O3  H SO4 307 ? ? O H HOH 403 ? ? 2.13 
14 1 O   L HOH 415 ? ? O L HOH 421 ? ? 2.14 
15 1 OD2 H ASP 107 ? A O H HOH 404 ? ? 2.14 
16 1 O   L HOH 629 ? ? O L HOH 679 ? ? 2.15 
17 1 O   L HOH 480 ? ? O L HOH 653 ? ? 2.17 
18 1 O   H HOH 469 ? ? O H HOH 631 ? ? 2.18 
19 1 O   H HOH 438 ? ? O H HOH 480 ? ? 2.18 
# 
loop_
_pdbx_validate_symm_contact.id 
_pdbx_validate_symm_contact.PDB_model_num 
_pdbx_validate_symm_contact.auth_atom_id_1 
_pdbx_validate_symm_contact.auth_asym_id_1 
_pdbx_validate_symm_contact.auth_comp_id_1 
_pdbx_validate_symm_contact.auth_seq_id_1 
_pdbx_validate_symm_contact.PDB_ins_code_1 
_pdbx_validate_symm_contact.label_alt_id_1 
_pdbx_validate_symm_contact.site_symmetry_1 
_pdbx_validate_symm_contact.auth_atom_id_2 
_pdbx_validate_symm_contact.auth_asym_id_2 
_pdbx_validate_symm_contact.auth_comp_id_2 
_pdbx_validate_symm_contact.auth_seq_id_2 
_pdbx_validate_symm_contact.PDB_ins_code_2 
_pdbx_validate_symm_contact.label_alt_id_2 
_pdbx_validate_symm_contact.site_symmetry_2 
_pdbx_validate_symm_contact.dist 
1 1 OG H SER 147 ? ? 1_555 O H HOH 575 ? ? 8_666 1.95 
2 1 O4 L SO4 307 ? ? 1_555 O H HOH 618 ? ? 5_555 2.02 
3 1 OG L SER 28  ? B 1_555 O H HOH 479 ? ? 5_555 2.12 
# 
loop_
_pdbx_validate_rmsd_bond.id 
_pdbx_validate_rmsd_bond.PDB_model_num 
_pdbx_validate_rmsd_bond.auth_atom_id_1 
_pdbx_validate_rmsd_bond.auth_asym_id_1 
_pdbx_validate_rmsd_bond.auth_comp_id_1 
_pdbx_validate_rmsd_bond.auth_seq_id_1 
_pdbx_validate_rmsd_bond.PDB_ins_code_1 
_pdbx_validate_rmsd_bond.label_alt_id_1 
_pdbx_validate_rmsd_bond.auth_atom_id_2 
_pdbx_validate_rmsd_bond.auth_asym_id_2 
_pdbx_validate_rmsd_bond.auth_comp_id_2 
_pdbx_validate_rmsd_bond.auth_seq_id_2 
_pdbx_validate_rmsd_bond.PDB_ins_code_2 
_pdbx_validate_rmsd_bond.label_alt_id_2 
_pdbx_validate_rmsd_bond.bond_value 
_pdbx_validate_rmsd_bond.bond_target_value 
_pdbx_validate_rmsd_bond.bond_deviation 
_pdbx_validate_rmsd_bond.bond_standard_deviation 
_pdbx_validate_rmsd_bond.linker_flag 
1 1 CD H GLU 97  ? ? OE2 H GLU 97  ? ? 1.321 1.252 0.069  0.011 N 
2 1 CD L GLU 97  ? ? OE1 L GLU 97  ? ? 1.346 1.252 0.094  0.011 N 
3 1 CD L GLU 185 ? ? OE1 L GLU 185 ? ? 1.183 1.252 -0.069 0.011 N 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 ALA H 100 ? ? 178.67 162.17 
2 1 ASP H 107 ? ? -39.92 124.80 
3 1 ASP H 116 ? ? -94.19 52.53  
4 1 ASP H 159 ? ? 72.79  55.94  
5 1 SER L 37  ? ? -59.42 -8.36  
6 1 ALA L 57  ? ? 71.01  -37.21 
7 1 ALA L 100 ? ? 176.93 174.18 
8 1 ASN L 158 ? ? 61.60  69.24  
# 
loop_
_pdbx_struct_special_symmetry.id 
_pdbx_struct_special_symmetry.PDB_model_num 
_pdbx_struct_special_symmetry.auth_asym_id 
_pdbx_struct_special_symmetry.auth_comp_id 
_pdbx_struct_special_symmetry.auth_seq_id 
_pdbx_struct_special_symmetry.PDB_ins_code 
_pdbx_struct_special_symmetry.label_asym_id 
_pdbx_struct_special_symmetry.label_comp_id 
_pdbx_struct_special_symmetry.label_seq_id 
1 1 H SO4 305 ? G SO4 . 
2 1 H HOH 636 ? U HOH . 
3 1 L HOH 621 ? V HOH . 
# 
_pdbx_distant_solvent_atoms.id                                1 
_pdbx_distant_solvent_atoms.PDB_model_num                     1 
_pdbx_distant_solvent_atoms.auth_atom_id                      O 
_pdbx_distant_solvent_atoms.label_alt_id                      ? 
_pdbx_distant_solvent_atoms.auth_asym_id                      L 
_pdbx_distant_solvent_atoms.auth_comp_id                      HOH 
_pdbx_distant_solvent_atoms.auth_seq_id                       696 
_pdbx_distant_solvent_atoms.PDB_ins_code                      ? 
_pdbx_distant_solvent_atoms.neighbor_macromolecule_distance   6.40 
_pdbx_distant_solvent_atoms.neighbor_ligand_distance          . 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_ordinal 
ALA N    N  N N 1   
ALA CA   C  N S 2   
ALA C    C  N N 3   
ALA O    O  N N 4   
ALA CB   C  N N 5   
ALA OXT  O  N N 6   
ALA H    H  N N 7   
ALA H2   H  N N 8   
ALA HA   H  N N 9   
ALA HB1  H  N N 10  
ALA HB2  H  N N 11  
ALA HB3  H  N N 12  
ALA HXT  H  N N 13  
ARG N    N  N N 14  
ARG CA   C  N S 15  
ARG C    C  N N 16  
ARG O    O  N N 17  
ARG CB   C  N N 18  
ARG CG   C  N N 19  
ARG CD   C  N N 20  
ARG NE   N  N N 21  
ARG CZ   C  N N 22  
ARG NH1  N  N N 23  
ARG NH2  N  N N 24  
ARG OXT  O  N N 25  
ARG H    H  N N 26  
ARG H2   H  N N 27  
ARG HA   H  N N 28  
ARG HB2  H  N N 29  
ARG HB3  H  N N 30  
ARG HG2  H  N N 31  
ARG HG3  H  N N 32  
ARG HD2  H  N N 33  
ARG HD3  H  N N 34  
ARG HE   H  N N 35  
ARG HH11 H  N N 36  
ARG HH12 H  N N 37  
ARG HH21 H  N N 38  
ARG HH22 H  N N 39  
ARG HXT  H  N N 40  
ASN N    N  N N 41  
ASN CA   C  N S 42  
ASN C    C  N N 43  
ASN O    O  N N 44  
ASN CB   C  N N 45  
ASN CG   C  N N 46  
ASN OD1  O  N N 47  
ASN ND2  N  N N 48  
ASN OXT  O  N N 49  
ASN H    H  N N 50  
ASN H2   H  N N 51  
ASN HA   H  N N 52  
ASN HB2  H  N N 53  
ASN HB3  H  N N 54  
ASN HD21 H  N N 55  
ASN HD22 H  N N 56  
ASN HXT  H  N N 57  
ASP N    N  N N 58  
ASP CA   C  N S 59  
ASP C    C  N N 60  
ASP O    O  N N 61  
ASP CB   C  N N 62  
ASP CG   C  N N 63  
ASP OD1  O  N N 64  
ASP OD2  O  N N 65  
ASP OXT  O  N N 66  
ASP H    H  N N 67  
ASP H2   H  N N 68  
ASP HA   H  N N 69  
ASP HB2  H  N N 70  
ASP HB3  H  N N 71  
ASP HD2  H  N N 72  
ASP HXT  H  N N 73  
CYS N    N  N N 74  
CYS CA   C  N R 75  
CYS C    C  N N 76  
CYS O    O  N N 77  
CYS CB   C  N N 78  
CYS SG   S  N N 79  
CYS OXT  O  N N 80  
CYS H    H  N N 81  
CYS H2   H  N N 82  
CYS HA   H  N N 83  
CYS HB2  H  N N 84  
CYS HB3  H  N N 85  
CYS HG   H  N N 86  
CYS HXT  H  N N 87  
GLN N    N  N N 88  
GLN CA   C  N S 89  
GLN C    C  N N 90  
GLN O    O  N N 91  
GLN CB   C  N N 92  
GLN CG   C  N N 93  
GLN CD   C  N N 94  
GLN OE1  O  N N 95  
GLN NE2  N  N N 96  
GLN OXT  O  N N 97  
GLN H    H  N N 98  
GLN H2   H  N N 99  
GLN HA   H  N N 100 
GLN HB2  H  N N 101 
GLN HB3  H  N N 102 
GLN HG2  H  N N 103 
GLN HG3  H  N N 104 
GLN HE21 H  N N 105 
GLN HE22 H  N N 106 
GLN HXT  H  N N 107 
GLU N    N  N N 108 
GLU CA   C  N S 109 
GLU C    C  N N 110 
GLU O    O  N N 111 
GLU CB   C  N N 112 
GLU CG   C  N N 113 
GLU CD   C  N N 114 
GLU OE1  O  N N 115 
GLU OE2  O  N N 116 
GLU OXT  O  N N 117 
GLU H    H  N N 118 
GLU H2   H  N N 119 
GLU HA   H  N N 120 
GLU HB2  H  N N 121 
GLU HB3  H  N N 122 
GLU HG2  H  N N 123 
GLU HG3  H  N N 124 
GLU HE2  H  N N 125 
GLU HXT  H  N N 126 
GLY N    N  N N 127 
GLY CA   C  N N 128 
GLY C    C  N N 129 
GLY O    O  N N 130 
GLY OXT  O  N N 131 
GLY H    H  N N 132 
GLY H2   H  N N 133 
GLY HA2  H  N N 134 
GLY HA3  H  N N 135 
GLY HXT  H  N N 136 
HIS N    N  N N 137 
HIS CA   C  N S 138 
HIS C    C  N N 139 
HIS O    O  N N 140 
HIS CB   C  N N 141 
HIS CG   C  Y N 142 
HIS ND1  N  Y N 143 
HIS CD2  C  Y N 144 
HIS CE1  C  Y N 145 
HIS NE2  N  Y N 146 
HIS OXT  O  N N 147 
HIS H    H  N N 148 
HIS H2   H  N N 149 
HIS HA   H  N N 150 
HIS HB2  H  N N 151 
HIS HB3  H  N N 152 
HIS HD1  H  N N 153 
HIS HD2  H  N N 154 
HIS HE1  H  N N 155 
HIS HE2  H  N N 156 
HIS HXT  H  N N 157 
HOH O    O  N N 158 
HOH H1   H  N N 159 
HOH H2   H  N N 160 
ILE N    N  N N 161 
ILE CA   C  N S 162 
ILE C    C  N N 163 
ILE O    O  N N 164 
ILE CB   C  N S 165 
ILE CG1  C  N N 166 
ILE CG2  C  N N 167 
ILE CD1  C  N N 168 
ILE OXT  O  N N 169 
ILE H    H  N N 170 
ILE H2   H  N N 171 
ILE HA   H  N N 172 
ILE HB   H  N N 173 
ILE HG12 H  N N 174 
ILE HG13 H  N N 175 
ILE HG21 H  N N 176 
ILE HG22 H  N N 177 
ILE HG23 H  N N 178 
ILE HD11 H  N N 179 
ILE HD12 H  N N 180 
ILE HD13 H  N N 181 
ILE HXT  H  N N 182 
LEU N    N  N N 183 
LEU CA   C  N S 184 
LEU C    C  N N 185 
LEU O    O  N N 186 
LEU CB   C  N N 187 
LEU CG   C  N N 188 
LEU CD1  C  N N 189 
LEU CD2  C  N N 190 
LEU OXT  O  N N 191 
LEU H    H  N N 192 
LEU H2   H  N N 193 
LEU HA   H  N N 194 
LEU HB2  H  N N 195 
LEU HB3  H  N N 196 
LEU HG   H  N N 197 
LEU HD11 H  N N 198 
LEU HD12 H  N N 199 
LEU HD13 H  N N 200 
LEU HD21 H  N N 201 
LEU HD22 H  N N 202 
LEU HD23 H  N N 203 
LEU HXT  H  N N 204 
LYS N    N  N N 205 
LYS CA   C  N S 206 
LYS C    C  N N 207 
LYS O    O  N N 208 
LYS CB   C  N N 209 
LYS CG   C  N N 210 
LYS CD   C  N N 211 
LYS CE   C  N N 212 
LYS NZ   N  N N 213 
LYS OXT  O  N N 214 
LYS H    H  N N 215 
LYS H2   H  N N 216 
LYS HA   H  N N 217 
LYS HB2  H  N N 218 
LYS HB3  H  N N 219 
LYS HG2  H  N N 220 
LYS HG3  H  N N 221 
LYS HD2  H  N N 222 
LYS HD3  H  N N 223 
LYS HE2  H  N N 224 
LYS HE3  H  N N 225 
LYS HZ1  H  N N 226 
LYS HZ2  H  N N 227 
LYS HZ3  H  N N 228 
LYS HXT  H  N N 229 
MET N    N  N N 230 
MET CA   C  N S 231 
MET C    C  N N 232 
MET O    O  N N 233 
MET CB   C  N N 234 
MET CG   C  N N 235 
MET SD   S  N N 236 
MET CE   C  N N 237 
MET OXT  O  N N 238 
MET H    H  N N 239 
MET H2   H  N N 240 
MET HA   H  N N 241 
MET HB2  H  N N 242 
MET HB3  H  N N 243 
MET HG2  H  N N 244 
MET HG3  H  N N 245 
MET HE1  H  N N 246 
MET HE2  H  N N 247 
MET HE3  H  N N 248 
MET HXT  H  N N 249 
NA  NA   NA N N 250 
PHE N    N  N N 251 
PHE CA   C  N S 252 
PHE C    C  N N 253 
PHE O    O  N N 254 
PHE CB   C  N N 255 
PHE CG   C  Y N 256 
PHE CD1  C  Y N 257 
PHE CD2  C  Y N 258 
PHE CE1  C  Y N 259 
PHE CE2  C  Y N 260 
PHE CZ   C  Y N 261 
PHE OXT  O  N N 262 
PHE H    H  N N 263 
PHE H2   H  N N 264 
PHE HA   H  N N 265 
PHE HB2  H  N N 266 
PHE HB3  H  N N 267 
PHE HD1  H  N N 268 
PHE HD2  H  N N 269 
PHE HE1  H  N N 270 
PHE HE2  H  N N 271 
PHE HZ   H  N N 272 
PHE HXT  H  N N 273 
PRO N    N  N N 274 
PRO CA   C  N S 275 
PRO C    C  N N 276 
PRO O    O  N N 277 
PRO CB   C  N N 278 
PRO CG   C  N N 279 
PRO CD   C  N N 280 
PRO OXT  O  N N 281 
PRO H    H  N N 282 
PRO HA   H  N N 283 
PRO HB2  H  N N 284 
PRO HB3  H  N N 285 
PRO HG2  H  N N 286 
PRO HG3  H  N N 287 
PRO HD2  H  N N 288 
PRO HD3  H  N N 289 
PRO HXT  H  N N 290 
SER N    N  N N 291 
SER CA   C  N S 292 
SER C    C  N N 293 
SER O    O  N N 294 
SER CB   C  N N 295 
SER OG   O  N N 296 
SER OXT  O  N N 297 
SER H    H  N N 298 
SER H2   H  N N 299 
SER HA   H  N N 300 
SER HB2  H  N N 301 
SER HB3  H  N N 302 
SER HG   H  N N 303 
SER HXT  H  N N 304 
SO4 S    S  N N 305 
SO4 O1   O  N N 306 
SO4 O2   O  N N 307 
SO4 O3   O  N N 308 
SO4 O4   O  N N 309 
THR N    N  N N 310 
THR CA   C  N S 311 
THR C    C  N N 312 
THR O    O  N N 313 
THR CB   C  N R 314 
THR OG1  O  N N 315 
THR CG2  C  N N 316 
THR OXT  O  N N 317 
THR H    H  N N 318 
THR H2   H  N N 319 
THR HA   H  N N 320 
THR HB   H  N N 321 
THR HG1  H  N N 322 
THR HG21 H  N N 323 
THR HG22 H  N N 324 
THR HG23 H  N N 325 
THR HXT  H  N N 326 
TRP N    N  N N 327 
TRP CA   C  N S 328 
TRP C    C  N N 329 
TRP O    O  N N 330 
TRP CB   C  N N 331 
TRP CG   C  Y N 332 
TRP CD1  C  Y N 333 
TRP CD2  C  Y N 334 
TRP NE1  N  Y N 335 
TRP CE2  C  Y N 336 
TRP CE3  C  Y N 337 
TRP CZ2  C  Y N 338 
TRP CZ3  C  Y N 339 
TRP CH2  C  Y N 340 
TRP OXT  O  N N 341 
TRP H    H  N N 342 
TRP H2   H  N N 343 
TRP HA   H  N N 344 
TRP HB2  H  N N 345 
TRP HB3  H  N N 346 
TRP HD1  H  N N 347 
TRP HE1  H  N N 348 
TRP HE3  H  N N 349 
TRP HZ2  H  N N 350 
TRP HZ3  H  N N 351 
TRP HH2  H  N N 352 
TRP HXT  H  N N 353 
TYR N    N  N N 354 
TYR CA   C  N S 355 
TYR C    C  N N 356 
TYR O    O  N N 357 
TYR CB   C  N N 358 
TYR CG   C  Y N 359 
TYR CD1  C  Y N 360 
TYR CD2  C  Y N 361 
TYR CE1  C  Y N 362 
TYR CE2  C  Y N 363 
TYR CZ   C  Y N 364 
TYR OH   O  N N 365 
TYR OXT  O  N N 366 
TYR H    H  N N 367 
TYR H2   H  N N 368 
TYR HA   H  N N 369 
TYR HB2  H  N N 370 
TYR HB3  H  N N 371 
TYR HD1  H  N N 372 
TYR HD2  H  N N 373 
TYR HE1  H  N N 374 
TYR HE2  H  N N 375 
TYR HH   H  N N 376 
TYR HXT  H  N N 377 
VAL N    N  N N 378 
VAL CA   C  N S 379 
VAL C    C  N N 380 
VAL O    O  N N 381 
VAL CB   C  N N 382 
VAL CG1  C  N N 383 
VAL CG2  C  N N 384 
VAL OXT  O  N N 385 
VAL H    H  N N 386 
VAL H2   H  N N 387 
VAL HA   H  N N 388 
VAL HB   H  N N 389 
VAL HG11 H  N N 390 
VAL HG12 H  N N 391 
VAL HG13 H  N N 392 
VAL HG21 H  N N 393 
VAL HG22 H  N N 394 
VAL HG23 H  N N 395 
VAL HXT  H  N N 396 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
ALA N   CA   sing N N 1   
ALA N   H    sing N N 2   
ALA N   H2   sing N N 3   
ALA CA  C    sing N N 4   
ALA CA  CB   sing N N 5   
ALA CA  HA   sing N N 6   
ALA C   O    doub N N 7   
ALA C   OXT  sing N N 8   
ALA CB  HB1  sing N N 9   
ALA CB  HB2  sing N N 10  
ALA CB  HB3  sing N N 11  
ALA OXT HXT  sing N N 12  
ARG N   CA   sing N N 13  
ARG N   H    sing N N 14  
ARG N   H2   sing N N 15  
ARG CA  C    sing N N 16  
ARG CA  CB   sing N N 17  
ARG CA  HA   sing N N 18  
ARG C   O    doub N N 19  
ARG C   OXT  sing N N 20  
ARG CB  CG   sing N N 21  
ARG CB  HB2  sing N N 22  
ARG CB  HB3  sing N N 23  
ARG CG  CD   sing N N 24  
ARG CG  HG2  sing N N 25  
ARG CG  HG3  sing N N 26  
ARG CD  NE   sing N N 27  
ARG CD  HD2  sing N N 28  
ARG CD  HD3  sing N N 29  
ARG NE  CZ   sing N N 30  
ARG NE  HE   sing N N 31  
ARG CZ  NH1  sing N N 32  
ARG CZ  NH2  doub N N 33  
ARG NH1 HH11 sing N N 34  
ARG NH1 HH12 sing N N 35  
ARG NH2 HH21 sing N N 36  
ARG NH2 HH22 sing N N 37  
ARG OXT HXT  sing N N 38  
ASN N   CA   sing N N 39  
ASN N   H    sing N N 40  
ASN N   H2   sing N N 41  
ASN CA  C    sing N N 42  
ASN CA  CB   sing N N 43  
ASN CA  HA   sing N N 44  
ASN C   O    doub N N 45  
ASN C   OXT  sing N N 46  
ASN CB  CG   sing N N 47  
ASN CB  HB2  sing N N 48  
ASN CB  HB3  sing N N 49  
ASN CG  OD1  doub N N 50  
ASN CG  ND2  sing N N 51  
ASN ND2 HD21 sing N N 52  
ASN ND2 HD22 sing N N 53  
ASN OXT HXT  sing N N 54  
ASP N   CA   sing N N 55  
ASP N   H    sing N N 56  
ASP N   H2   sing N N 57  
ASP CA  C    sing N N 58  
ASP CA  CB   sing N N 59  
ASP CA  HA   sing N N 60  
ASP C   O    doub N N 61  
ASP C   OXT  sing N N 62  
ASP CB  CG   sing N N 63  
ASP CB  HB2  sing N N 64  
ASP CB  HB3  sing N N 65  
ASP CG  OD1  doub N N 66  
ASP CG  OD2  sing N N 67  
ASP OD2 HD2  sing N N 68  
ASP OXT HXT  sing N N 69  
CYS N   CA   sing N N 70  
CYS N   H    sing N N 71  
CYS N   H2   sing N N 72  
CYS CA  C    sing N N 73  
CYS CA  CB   sing N N 74  
CYS CA  HA   sing N N 75  
CYS C   O    doub N N 76  
CYS C   OXT  sing N N 77  
CYS CB  SG   sing N N 78  
CYS CB  HB2  sing N N 79  
CYS CB  HB3  sing N N 80  
CYS SG  HG   sing N N 81  
CYS OXT HXT  sing N N 82  
GLN N   CA   sing N N 83  
GLN N   H    sing N N 84  
GLN N   H2   sing N N 85  
GLN CA  C    sing N N 86  
GLN CA  CB   sing N N 87  
GLN CA  HA   sing N N 88  
GLN C   O    doub N N 89  
GLN C   OXT  sing N N 90  
GLN CB  CG   sing N N 91  
GLN CB  HB2  sing N N 92  
GLN CB  HB3  sing N N 93  
GLN CG  CD   sing N N 94  
GLN CG  HG2  sing N N 95  
GLN CG  HG3  sing N N 96  
GLN CD  OE1  doub N N 97  
GLN CD  NE2  sing N N 98  
GLN NE2 HE21 sing N N 99  
GLN NE2 HE22 sing N N 100 
GLN OXT HXT  sing N N 101 
GLU N   CA   sing N N 102 
GLU N   H    sing N N 103 
GLU N   H2   sing N N 104 
GLU CA  C    sing N N 105 
GLU CA  CB   sing N N 106 
GLU CA  HA   sing N N 107 
GLU C   O    doub N N 108 
GLU C   OXT  sing N N 109 
GLU CB  CG   sing N N 110 
GLU CB  HB2  sing N N 111 
GLU CB  HB3  sing N N 112 
GLU CG  CD   sing N N 113 
GLU CG  HG2  sing N N 114 
GLU CG  HG3  sing N N 115 
GLU CD  OE1  doub N N 116 
GLU CD  OE2  sing N N 117 
GLU OE2 HE2  sing N N 118 
GLU OXT HXT  sing N N 119 
GLY N   CA   sing N N 120 
GLY N   H    sing N N 121 
GLY N   H2   sing N N 122 
GLY CA  C    sing N N 123 
GLY CA  HA2  sing N N 124 
GLY CA  HA3  sing N N 125 
GLY C   O    doub N N 126 
GLY C   OXT  sing N N 127 
GLY OXT HXT  sing N N 128 
HIS N   CA   sing N N 129 
HIS N   H    sing N N 130 
HIS N   H2   sing N N 131 
HIS CA  C    sing N N 132 
HIS CA  CB   sing N N 133 
HIS CA  HA   sing N N 134 
HIS C   O    doub N N 135 
HIS C   OXT  sing N N 136 
HIS CB  CG   sing N N 137 
HIS CB  HB2  sing N N 138 
HIS CB  HB3  sing N N 139 
HIS CG  ND1  sing Y N 140 
HIS CG  CD2  doub Y N 141 
HIS ND1 CE1  doub Y N 142 
HIS ND1 HD1  sing N N 143 
HIS CD2 NE2  sing Y N 144 
HIS CD2 HD2  sing N N 145 
HIS CE1 NE2  sing Y N 146 
HIS CE1 HE1  sing N N 147 
HIS NE2 HE2  sing N N 148 
HIS OXT HXT  sing N N 149 
HOH O   H1   sing N N 150 
HOH O   H2   sing N N 151 
ILE N   CA   sing N N 152 
ILE N   H    sing N N 153 
ILE N   H2   sing N N 154 
ILE CA  C    sing N N 155 
ILE CA  CB   sing N N 156 
ILE CA  HA   sing N N 157 
ILE C   O    doub N N 158 
ILE C   OXT  sing N N 159 
ILE CB  CG1  sing N N 160 
ILE CB  CG2  sing N N 161 
ILE CB  HB   sing N N 162 
ILE CG1 CD1  sing N N 163 
ILE CG1 HG12 sing N N 164 
ILE CG1 HG13 sing N N 165 
ILE CG2 HG21 sing N N 166 
ILE CG2 HG22 sing N N 167 
ILE CG2 HG23 sing N N 168 
ILE CD1 HD11 sing N N 169 
ILE CD1 HD12 sing N N 170 
ILE CD1 HD13 sing N N 171 
ILE OXT HXT  sing N N 172 
LEU N   CA   sing N N 173 
LEU N   H    sing N N 174 
LEU N   H2   sing N N 175 
LEU CA  C    sing N N 176 
LEU CA  CB   sing N N 177 
LEU CA  HA   sing N N 178 
LEU C   O    doub N N 179 
LEU C   OXT  sing N N 180 
LEU CB  CG   sing N N 181 
LEU CB  HB2  sing N N 182 
LEU CB  HB3  sing N N 183 
LEU CG  CD1  sing N N 184 
LEU CG  CD2  sing N N 185 
LEU CG  HG   sing N N 186 
LEU CD1 HD11 sing N N 187 
LEU CD1 HD12 sing N N 188 
LEU CD1 HD13 sing N N 189 
LEU CD2 HD21 sing N N 190 
LEU CD2 HD22 sing N N 191 
LEU CD2 HD23 sing N N 192 
LEU OXT HXT  sing N N 193 
LYS N   CA   sing N N 194 
LYS N   H    sing N N 195 
LYS N   H2   sing N N 196 
LYS CA  C    sing N N 197 
LYS CA  CB   sing N N 198 
LYS CA  HA   sing N N 199 
LYS C   O    doub N N 200 
LYS C   OXT  sing N N 201 
LYS CB  CG   sing N N 202 
LYS CB  HB2  sing N N 203 
LYS CB  HB3  sing N N 204 
LYS CG  CD   sing N N 205 
LYS CG  HG2  sing N N 206 
LYS CG  HG3  sing N N 207 
LYS CD  CE   sing N N 208 
LYS CD  HD2  sing N N 209 
LYS CD  HD3  sing N N 210 
LYS CE  NZ   sing N N 211 
LYS CE  HE2  sing N N 212 
LYS CE  HE3  sing N N 213 
LYS NZ  HZ1  sing N N 214 
LYS NZ  HZ2  sing N N 215 
LYS NZ  HZ3  sing N N 216 
LYS OXT HXT  sing N N 217 
MET N   CA   sing N N 218 
MET N   H    sing N N 219 
MET N   H2   sing N N 220 
MET CA  C    sing N N 221 
MET CA  CB   sing N N 222 
MET CA  HA   sing N N 223 
MET C   O    doub N N 224 
MET C   OXT  sing N N 225 
MET CB  CG   sing N N 226 
MET CB  HB2  sing N N 227 
MET CB  HB3  sing N N 228 
MET CG  SD   sing N N 229 
MET CG  HG2  sing N N 230 
MET CG  HG3  sing N N 231 
MET SD  CE   sing N N 232 
MET CE  HE1  sing N N 233 
MET CE  HE2  sing N N 234 
MET CE  HE3  sing N N 235 
MET OXT HXT  sing N N 236 
PHE N   CA   sing N N 237 
PHE N   H    sing N N 238 
PHE N   H2   sing N N 239 
PHE CA  C    sing N N 240 
PHE CA  CB   sing N N 241 
PHE CA  HA   sing N N 242 
PHE C   O    doub N N 243 
PHE C   OXT  sing N N 244 
PHE CB  CG   sing N N 245 
PHE CB  HB2  sing N N 246 
PHE CB  HB3  sing N N 247 
PHE CG  CD1  doub Y N 248 
PHE CG  CD2  sing Y N 249 
PHE CD1 CE1  sing Y N 250 
PHE CD1 HD1  sing N N 251 
PHE CD2 CE2  doub Y N 252 
PHE CD2 HD2  sing N N 253 
PHE CE1 CZ   doub Y N 254 
PHE CE1 HE1  sing N N 255 
PHE CE2 CZ   sing Y N 256 
PHE CE2 HE2  sing N N 257 
PHE CZ  HZ   sing N N 258 
PHE OXT HXT  sing N N 259 
PRO N   CA   sing N N 260 
PRO N   CD   sing N N 261 
PRO N   H    sing N N 262 
PRO CA  C    sing N N 263 
PRO CA  CB   sing N N 264 
PRO CA  HA   sing N N 265 
PRO C   O    doub N N 266 
PRO C   OXT  sing N N 267 
PRO CB  CG   sing N N 268 
PRO CB  HB2  sing N N 269 
PRO CB  HB3  sing N N 270 
PRO CG  CD   sing N N 271 
PRO CG  HG2  sing N N 272 
PRO CG  HG3  sing N N 273 
PRO CD  HD2  sing N N 274 
PRO CD  HD3  sing N N 275 
PRO OXT HXT  sing N N 276 
SER N   CA   sing N N 277 
SER N   H    sing N N 278 
SER N   H2   sing N N 279 
SER CA  C    sing N N 280 
SER CA  CB   sing N N 281 
SER CA  HA   sing N N 282 
SER C   O    doub N N 283 
SER C   OXT  sing N N 284 
SER CB  OG   sing N N 285 
SER CB  HB2  sing N N 286 
SER CB  HB3  sing N N 287 
SER OG  HG   sing N N 288 
SER OXT HXT  sing N N 289 
SO4 S   O1   doub N N 290 
SO4 S   O2   doub N N 291 
SO4 S   O3   sing N N 292 
SO4 S   O4   sing N N 293 
THR N   CA   sing N N 294 
THR N   H    sing N N 295 
THR N   H2   sing N N 296 
THR CA  C    sing N N 297 
THR CA  CB   sing N N 298 
THR CA  HA   sing N N 299 
THR C   O    doub N N 300 
THR C   OXT  sing N N 301 
THR CB  OG1  sing N N 302 
THR CB  CG2  sing N N 303 
THR CB  HB   sing N N 304 
THR OG1 HG1  sing N N 305 
THR CG2 HG21 sing N N 306 
THR CG2 HG22 sing N N 307 
THR CG2 HG23 sing N N 308 
THR OXT HXT  sing N N 309 
TRP N   CA   sing N N 310 
TRP N   H    sing N N 311 
TRP N   H2   sing N N 312 
TRP CA  C    sing N N 313 
TRP CA  CB   sing N N 314 
TRP CA  HA   sing N N 315 
TRP C   O    doub N N 316 
TRP C   OXT  sing N N 317 
TRP CB  CG   sing N N 318 
TRP CB  HB2  sing N N 319 
TRP CB  HB3  sing N N 320 
TRP CG  CD1  doub Y N 321 
TRP CG  CD2  sing Y N 322 
TRP CD1 NE1  sing Y N 323 
TRP CD1 HD1  sing N N 324 
TRP CD2 CE2  doub Y N 325 
TRP CD2 CE3  sing Y N 326 
TRP NE1 CE2  sing Y N 327 
TRP NE1 HE1  sing N N 328 
TRP CE2 CZ2  sing Y N 329 
TRP CE3 CZ3  doub Y N 330 
TRP CE3 HE3  sing N N 331 
TRP CZ2 CH2  doub Y N 332 
TRP CZ2 HZ2  sing N N 333 
TRP CZ3 CH2  sing Y N 334 
TRP CZ3 HZ3  sing N N 335 
TRP CH2 HH2  sing N N 336 
TRP OXT HXT  sing N N 337 
TYR N   CA   sing N N 338 
TYR N   H    sing N N 339 
TYR N   H2   sing N N 340 
TYR CA  C    sing N N 341 
TYR CA  CB   sing N N 342 
TYR CA  HA   sing N N 343 
TYR C   O    doub N N 344 
TYR C   OXT  sing N N 345 
TYR CB  CG   sing N N 346 
TYR CB  HB2  sing N N 347 
TYR CB  HB3  sing N N 348 
TYR CG  CD1  doub Y N 349 
TYR CG  CD2  sing Y N 350 
TYR CD1 CE1  sing Y N 351 
TYR CD1 HD1  sing N N 352 
TYR CD2 CE2  doub Y N 353 
TYR CD2 HD2  sing N N 354 
TYR CE1 CZ   doub Y N 355 
TYR CE1 HE1  sing N N 356 
TYR CE2 CZ   sing Y N 357 
TYR CE2 HE2  sing N N 358 
TYR CZ  OH   sing N N 359 
TYR OH  HH   sing N N 360 
TYR OXT HXT  sing N N 361 
VAL N   CA   sing N N 362 
VAL N   H    sing N N 363 
VAL N   H2   sing N N 364 
VAL CA  C    sing N N 365 
VAL CA  CB   sing N N 366 
VAL CA  HA   sing N N 367 
VAL C   O    doub N N 368 
VAL C   OXT  sing N N 369 
VAL CB  CG1  sing N N 370 
VAL CB  CG2  sing N N 371 
VAL CB  HB   sing N N 372 
VAL CG1 HG11 sing N N 373 
VAL CG1 HG12 sing N N 374 
VAL CG1 HG13 sing N N 375 
VAL CG2 HG21 sing N N 376 
VAL CG2 HG22 sing N N 377 
VAL CG2 HG23 sing N N 378 
VAL OXT HXT  sing N N 379 
# 
_pdbx_audit_support.funding_organization   'National Institutes of Health/National Cancer Institute (NIH/NCI)' 
_pdbx_audit_support.country                'United States' 
_pdbx_audit_support.grant_number           ? 
_pdbx_audit_support.ordinal                1 
# 
_pdbx_initial_refinement_model.id               1 
_pdbx_initial_refinement_model.entity_id_list   ? 
_pdbx_initial_refinement_model.type             'experimental model' 
_pdbx_initial_refinement_model.source_name      PDB 
_pdbx_initial_refinement_model.accession_code   7n3g 
_pdbx_initial_refinement_model.details          'sequence identity is high' 
# 
_atom_sites.entry_id                    8TN4 
_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]   0.011080 
_atom_sites.fract_transf_matrix[1][2]   0.006397 
_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]   0.012794 
_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]   0.004789 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
_atom_sites.solution_primary            ? 
_atom_sites.solution_secondary          ? 
_atom_sites.solution_hydrogens          ? 
_atom_sites.special_details             ? 
# 
loop_
_atom_type.symbol 
C  
N  
NA 
O  
S  
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
ATOM   1    N  N   . GLU A 1 1   ? 25.731  24.598 78.308  1.00 40.40 ? 1   GLU H N   1 
ATOM   2    C  CA  . GLU A 1 1   ? 25.364  24.912 79.716  1.00 33.38 ? 1   GLU H CA  1 
ATOM   3    C  C   . GLU A 1 1   ? 23.853  24.806 79.854  1.00 25.18 ? 1   GLU H C   1 
ATOM   4    O  O   . GLU A 1 1   ? 23.090  25.019 78.914  1.00 28.47 ? 1   GLU H O   1 
ATOM   5    C  CB  . GLU A 1 1   ? 25.826  26.305 80.151  1.00 41.60 ? 1   GLU H CB  1 
ATOM   6    C  CG  . GLU A 1 1   ? 25.254  27.429 79.302  1.00 49.93 ? 1   GLU H CG  1 
ATOM   7    C  CD  . GLU A 1 1   ? 25.608  28.838 79.752  1.00 59.20 ? 1   GLU H CD  1 
ATOM   8    O  OE1 . GLU A 1 1   ? 25.265  29.194 80.907  1.00 61.83 ? 1   GLU H OE1 1 
ATOM   9    O  OE2 . GLU A 1 1   ? 26.209  29.587 78.938  1.00 69.25 ? 1   GLU H OE2 1 
ATOM   10   N  N   . VAL A 1 2   ? 23.435  24.449 81.050  1.00 20.21 ? 2   VAL H N   1 
ATOM   11   C  CA  . VAL A 1 2   ? 22.024  24.460 81.352  1.00 15.99 ? 2   VAL H CA  1 
ATOM   12   C  C   . VAL A 1 2   ? 21.607  25.881 81.699  1.00 14.36 ? 2   VAL H C   1 
ATOM   13   O  O   . VAL A 1 2   ? 22.245  26.545 82.523  1.00 17.15 ? 2   VAL H O   1 
ATOM   14   C  CB  . VAL A 1 2   ? 21.729  23.500 82.508  1.00 17.31 ? 2   VAL H CB  1 
ATOM   15   C  CG1 . VAL A 1 2   ? 20.293  23.630 83.011  1.00 18.09 ? 2   VAL H CG1 1 
ATOM   16   C  CG2 . VAL A 1 2   ? 22.028  22.087 82.043  1.00 19.99 ? 2   VAL H CG2 1 
ATOM   17   N  N   . GLN A 1 3   ? 20.488  26.314 81.118  1.00 14.01 ? 3   GLN H N   1 
ATOM   18   C  CA  . GLN A 1 3   ? 19.960  27.634 81.365  1.00 14.46 ? 3   GLN H CA  1 
ATOM   19   C  C   . GLN A 1 3   ? 18.436  27.540 81.382  1.00 12.54 ? 3   GLN H C   1 
ATOM   20   O  O   . GLN A 1 3   ? 17.842  26.839 80.564  1.00 12.01 ? 3   GLN H O   1 
ATOM   21   C  CB  . GLN A 1 3   ? 20.327  28.639 80.262  1.00 18.75 ? 3   GLN H CB  1 
ATOM   22   C  CG  . GLN A 1 3   ? 21.817  28.858 80.070  1.00 25.38 ? 3   GLN H CG  1 
ATOM   23   C  CD  . GLN A 1 3   ? 22.042  30.003 79.117  1.00 34.40 ? 3   GLN H CD  1 
ATOM   24   O  OE1 . GLN A 1 3   ? 21.855  31.173 79.470  1.00 45.54 ? 3   GLN H OE1 1 
ATOM   25   N  NE2 . GLN A 1 3   ? 22.387  29.660 77.885  1.00 40.59 ? 3   GLN H NE2 1 
ATOM   26   N  N   . LEU A 1 4   ? 17.822  28.290 82.306  1.00 11.81 ? 4   LEU H N   1 
ATOM   27   C  CA  . LEU A 1 4   ? 16.380  28.474 82.350  1.00 9.90  ? 4   LEU H CA  1 
ATOM   28   C  C   . LEU A 1 4   ? 16.166  29.961 82.534  1.00 9.70  ? 4   LEU H C   1 
ATOM   29   O  O   . LEU A 1 4   ? 16.515  30.505 83.574  1.00 12.32 ? 4   LEU H O   1 
ATOM   30   C  CB  . LEU A 1 4   ? 15.737  27.676 83.488  1.00 9.37  ? 4   LEU H CB  1 
ATOM   31   C  CG  . LEU A 1 4   ? 15.763  26.153 83.346  1.00 9.99  ? 4   LEU H CG  1 
ATOM   32   C  CD1 . LEU A 1 4   ? 17.012  25.559 83.982  1.00 10.63 ? 4   LEU H CD1 1 
ATOM   33   C  CD2 . LEU A 1 4   ? 14.506  25.518 83.965  1.00 10.21 ? 4   LEU H CD2 1 
ATOM   34   N  N   . VAL A 1 5   ? 15.751  30.628 81.469  1.00 10.62 ? 5   VAL H N   1 
ATOM   35   C  CA  . VAL A 1 5   ? 15.699  32.070 81.434  1.00 10.96 ? 5   VAL H CA  1 
ATOM   36   C  C   . VAL A 1 5   ? 14.245  32.522 81.454  1.00 10.52 ? 5   VAL H C   1 
ATOM   37   O  O   . VAL A 1 5   ? 13.492  32.293 80.506  1.00 10.34 ? 5   VAL H O   1 
ATOM   38   C  CB  . VAL A 1 5   ? 16.412  32.607 80.177  1.00 12.99 ? 5   VAL H CB  1 
ATOM   39   C  CG1 . VAL A 1 5   ? 16.331  34.119 80.138  1.00 14.63 ? 5   VAL H CG1 1 
ATOM   40   C  CG2 . VAL A 1 5   ? 17.847  32.132 80.085  1.00 14.34 ? 5   VAL H CG2 1 
ATOM   41   N  N   . GLU A 1 6   ? 13.878  33.245 82.519  1.00 9.37  ? 6   GLU H N   1 
ATOM   42   C  CA  . GLU A 1 6   ? 12.512  33.725 82.731  1.00 8.95  ? 6   GLU H CA  1 
ATOM   43   C  C   . GLU A 1 6   ? 12.350  35.174 82.281  1.00 9.59  ? 6   GLU H C   1 
ATOM   44   O  O   . GLU A 1 6   ? 13.289  35.980 82.338  1.00 12.12 ? 6   GLU H O   1 
ATOM   45   C  CB  . GLU A 1 6   ? 12.115  33.638 84.216  1.00 9.48  ? 6   GLU H CB  1 
ATOM   46   C  CG  . GLU A 1 6   ? 12.140  32.221 84.744  1.00 10.31 ? 6   GLU H CG  1 
ATOM   47   C  CD  . GLU A 1 6   ? 11.695  32.163 86.194  1.00 10.60 ? 6   GLU H CD  1 
ATOM   48   O  OE1 . GLU A 1 6   ? 10.637  32.786 86.515  1.00 10.38 ? 6   GLU H OE1 1 
ATOM   49   O  OE2 . GLU A 1 6   ? 12.389  31.503 86.935  1.00 10.68 ? 6   GLU H OE2 1 
ATOM   50   N  N   . SER A 1 7   ? 11.122  35.465 81.852  1.00 10.11 ? 7   SER H N   1 
ATOM   51   C  CA  . SER A 1 7   ? 10.704  36.809 81.513  1.00 10.83 ? 7   SER H CA  1 
ATOM   52   C  C   . SER A 1 7   ? 9.194   36.946 81.738  1.00 10.08 ? 7   SER H C   1 
ATOM   53   O  O   . SER A 1 7   ? 8.507   35.952 81.924  1.00 10.47 ? 7   SER H O   1 
ATOM   54   C  CB  . SER A 1 7   ? 11.069  37.139 80.087  1.00 13.64 ? 7   SER H CB  1 
ATOM   55   O  OG  . SER A 1 7   ? 10.444  36.269 79.203  1.00 15.33 ? 7   SER H OG  1 
ATOM   56   N  N   . GLY A 1 8   ? 8.686   38.186 81.681  1.00 10.01 ? 8   GLY H N   1 
ATOM   57   C  CA  . GLY A 1 8   ? 7.257   38.471 81.704  1.00 10.74 ? 8   GLY H CA  1 
ATOM   58   C  C   . GLY A 1 8   ? 6.699   38.931 83.051  1.00 11.05 ? 8   GLY H C   1 
ATOM   59   O  O   . GLY A 1 8   ? 5.505   39.186 83.149  1.00 13.59 ? 8   GLY H O   1 
ATOM   60   N  N   . GLY A 1 9   ? 7.543   39.011 84.083  1.00 11.58 ? 9   GLY H N   1 
ATOM   61   C  CA  . GLY A 1 9   ? 7.078   39.431 85.393  1.00 11.13 ? 9   GLY H CA  1 
ATOM   62   C  C   . GLY A 1 9   ? 7.010   40.933 85.522  1.00 12.03 ? 9   GLY H C   1 
ATOM   63   O  O   . GLY A 1 9   ? 6.764   41.666 84.572  1.00 16.88 ? 9   GLY H O   1 
ATOM   64   N  N   . GLY A 1 10  ? 7.154   41.405 86.723  1.00 12.41 ? 11  GLY H N   1 
ATOM   65   C  CA  . GLY A 1 10  ? 7.222   42.815 87.013  1.00 11.38 ? 11  GLY H CA  1 
ATOM   66   C  C   . GLY A 1 10  ? 5.975   43.339 87.715  1.00 10.01 ? 11  GLY H C   1 
ATOM   67   O  O   . GLY A 1 10  ? 5.208   42.573 88.294  1.00 9.68  ? 11  GLY H O   1 
ATOM   68   N  N   . LEU A 1 11  ? 5.820   44.650 87.657  1.00 10.64 ? 12  LEU H N   1 
ATOM   69   C  CA  . LEU A 1 11  ? 4.705   45.340 88.272  1.00 9.86  ? 12  LEU H CA  1 
ATOM   70   C  C   . LEU A 1 11  ? 3.419   45.094 87.499  1.00 10.55 ? 12  LEU H C   1 
ATOM   71   O  O   . LEU A 1 11  ? 3.409   45.140 86.257  1.00 13.45 ? 12  LEU H O   1 
ATOM   72   C  CB  . LEU A 1 11  ? 5.044   46.839 88.315  1.00 11.23 ? 12  LEU H CB  1 
ATOM   73   C  CG  . LEU A 1 11  ? 4.011   47.776 88.896  1.00 12.82 ? 12  LEU H CG  1 
ATOM   74   C  CD1 . LEU A 1 11  ? 3.804   47.481 90.374  1.00 13.59 ? 12  LEU H CD1 1 
ATOM   75   C  CD2 . LEU A 1 11  ? 4.493   49.214 88.685  1.00 15.48 ? 12  LEU H CD2 1 
ATOM   76   N  N   . VAL A 1 12  ? 2.324   44.909 88.224  1.00 9.45  ? 13  VAL H N   1 
ATOM   77   C  CA  . VAL A 1 12  ? 1.018   44.679 87.628  1.00 9.75  ? 13  VAL H CA  1 
ATOM   78   C  C   . VAL A 1 12  ? -0.061  45.204 88.578  1.00 10.61 ? 13  VAL H C   1 
ATOM   79   O  O   . VAL A 1 12  ? 0.011   45.000 89.798  1.00 10.70 ? 13  VAL H O   1 
ATOM   80   C  CB  . VAL A 1 12  ? 0.788   43.203 87.261  1.00 10.33 ? 13  VAL H CB  1 
ATOM   81   C  CG1 . VAL A 1 12  ? 0.877   42.277 88.463  1.00 10.61 ? 13  VAL H CG1 1 
ATOM   82   C  CG2 . VAL A 1 12  ? -0.519  43.021 86.525  1.00 12.67 ? 13  VAL H CG2 1 
ATOM   83   N  N   A GLN A 1 13  ? -1.099  45.829 88.020  0.50 11.81 ? 14  GLN H N   1 
ATOM   84   N  N   B GLN A 1 13  ? -1.077  45.851 88.021  0.50 11.93 ? 14  GLN H N   1 
ATOM   85   C  CA  A GLN A 1 13  ? -2.192  46.337 88.813  0.50 12.84 ? 14  GLN H CA  1 
ATOM   86   C  CA  B GLN A 1 13  ? -2.160  46.357 88.829  0.50 13.19 ? 14  GLN H CA  1 
ATOM   87   C  C   A GLN A 1 13  ? -3.022  45.186 89.390  0.50 12.01 ? 14  GLN H C   1 
ATOM   88   C  C   B GLN A 1 13  ? -2.984  45.193 89.399  0.50 12.18 ? 14  GLN H C   1 
ATOM   89   O  O   A GLN A 1 13  ? -3.263  44.147 88.776  0.50 11.50 ? 14  GLN H O   1 
ATOM   90   O  O   B GLN A 1 13  ? -3.163  44.141 88.787  0.50 11.91 ? 14  GLN H O   1 
ATOM   91   C  CB  A GLN A 1 13  ? -3.068  47.279 87.983  0.50 16.41 ? 14  GLN H CB  1 
ATOM   92   C  CB  B GLN A 1 13  ? -2.999  47.339 88.006  0.50 17.22 ? 14  GLN H CB  1 
ATOM   93   C  CG  A GLN A 1 13  ? -3.846  46.576 86.909  0.50 20.55 ? 14  GLN H CG  1 
ATOM   94   C  CG  B GLN A 1 13  ? -4.208  46.722 87.364  0.50 22.85 ? 14  GLN H CG  1 
ATOM   95   C  CD  A GLN A 1 13  ? -3.061  46.278 85.658  0.50 25.73 ? 14  GLN H CD  1 
ATOM   96   C  CD  B GLN A 1 13  ? -4.997  47.719 86.551  0.50 29.18 ? 14  GLN H CD  1 
ATOM   97   O  OE1 A GLN A 1 13  ? -1.837  46.507 85.585  0.50 29.87 ? 14  GLN H OE1 1 
ATOM   98   O  OE1 B GLN A 1 13  ? -4.526  48.241 85.542  0.50 39.01 ? 14  GLN H OE1 1 
ATOM   99   N  NE2 A GLN A 1 13  ? -3.794  45.757 84.673  0.50 26.77 ? 14  GLN H NE2 1 
ATOM   100  N  NE2 B GLN A 1 13  ? -6.222  47.973 86.971  0.50 35.09 ? 14  GLN H NE2 1 
ATOM   101  N  N   . PRO A 1 14  ? -3.547  45.334 90.615  1.00 12.42 ? 15  PRO H N   1 
ATOM   102  C  CA  . PRO A 1 14  ? -4.505  44.354 91.124  1.00 11.72 ? 15  PRO H CA  1 
ATOM   103  C  C   . PRO A 1 14  ? -5.655  44.156 90.148  1.00 9.92  ? 15  PRO H C   1 
ATOM   104  O  O   . PRO A 1 14  ? -6.154  45.142 89.594  1.00 11.15 ? 15  PRO H O   1 
ATOM   105  C  CB  . PRO A 1 14  ? -4.986  44.985 92.440  1.00 13.54 ? 15  PRO H CB  1 
ATOM   106  C  CG  . PRO A 1 14  ? -3.867  45.875 92.817  1.00 16.51 ? 15  PRO H CG  1 
ATOM   107  C  CD  . PRO A 1 14  ? -3.247  46.412 91.562  1.00 14.27 ? 15  PRO H CD  1 
ATOM   108  N  N   . GLY A 1 15  ? -6.058  42.890 89.984  1.00 9.50  ? 16  GLY H N   1 
ATOM   109  C  CA  . GLY A 1 15  ? -7.064  42.533 89.007  1.00 10.20 ? 16  GLY H CA  1 
ATOM   110  C  C   . GLY A 1 15  ? -6.501  42.232 87.621  1.00 9.82  ? 16  GLY H C   1 
ATOM   111  O  O   . GLY A 1 15  ? -7.240  41.737 86.785  1.00 12.74 ? 16  GLY H O   1 
ATOM   112  N  N   . GLY A 1 16  ? -5.236  42.597 87.408  1.00 8.71  ? 17  GLY H N   1 
ATOM   113  C  CA  . GLY A 1 16  ? -4.614  42.410 86.120  1.00 8.64  ? 17  GLY H CA  1 
ATOM   114  C  C   . GLY A 1 16  ? -4.077  41.018 85.888  1.00 8.13  ? 17  GLY H C   1 
ATOM   115  O  O   . GLY A 1 16  ? -4.366  40.072 86.625  1.00 8.94  ? 17  GLY H O   1 
ATOM   116  N  N   . SER A 1 17  ? -3.286  40.900 84.836  1.00 8.06  ? 18  SER H N   1 
ATOM   117  C  CA  . SER A 1 17  ? -2.743  39.631 84.406  1.00 7.47  ? 18  SER H CA  1 
ATOM   118  C  C   . SER A 1 17  ? -1.289  39.791 83.970  1.00 7.14  ? 18  SER H C   1 
ATOM   119  O  O   . SER A 1 17  ? -0.865  40.895 83.584  1.00 8.43  ? 18  SER H O   1 
ATOM   120  C  CB  . SER A 1 17  ? -3.564  39.030 83.294  1.00 8.81  ? 18  SER H CB  1 
ATOM   121  O  OG  . SER A 1 17  ? -3.520  39.784 82.088  1.00 10.23 ? 18  SER H OG  1 
ATOM   122  N  N   . LEU A 1 18  ? -0.566  38.668 83.996  1.00 7.46  ? 19  LEU H N   1 
ATOM   123  C  CA  . LEU A 1 18  ? 0.802   38.582 83.503  1.00 8.13  ? 19  LEU H CA  1 
ATOM   124  C  C   . LEU A 1 18  ? 0.973   37.229 82.833  1.00 7.87  ? 19  LEU H C   1 
ATOM   125  O  O   . LEU A 1 18  ? 0.295   36.264 83.170  1.00 8.98  ? 19  LEU H O   1 
ATOM   126  C  CB  . LEU A 1 18  ? 1.843   38.697 84.615  1.00 9.40  ? 19  LEU H CB  1 
ATOM   127  C  CG  . LEU A 1 18  ? 2.001   40.052 85.266  1.00 10.72 ? 19  LEU H CG  1 
ATOM   128  C  CD1 . LEU A 1 18  ? 2.919   39.909 86.462  1.00 12.63 ? 19  LEU H CD1 1 
ATOM   129  C  CD2 . LEU A 1 18  ? 2.569   41.095 84.281  1.00 11.01 ? 19  LEU H CD2 1 
ATOM   130  N  N   . ARG A 1 19  ? 1.910   37.194 81.867  1.00 8.27  ? 20  ARG H N   1 
ATOM   131  C  CA  . ARG A 1 19  ? 2.291   35.988 81.141  1.00 7.44  ? 20  ARG H CA  1 
ATOM   132  C  C   . ARG A 1 19  ? 3.770   35.758 81.429  1.00 7.91  ? 20  ARG H C   1 
ATOM   133  O  O   . ARG A 1 19  ? 4.608   36.547 80.996  1.00 9.42  ? 20  ARG H O   1 
ATOM   134  C  CB  . ARG A 1 19  ? 2.083   36.204 79.649  1.00 8.87  ? 20  ARG H CB  1 
ATOM   135  C  CG  . ARG A 1 19  ? 2.383   34.973 78.805  1.00 9.78  ? 20  ARG H CG  1 
ATOM   136  C  CD  . ARG A 1 19  ? 2.502   35.388 77.345  1.00 11.03 ? 20  ARG H CD  1 
ATOM   137  N  NE  . ARG A 1 19  ? 3.640   36.217 77.067  1.00 12.30 ? 20  ARG H NE  1 
ATOM   138  C  CZ  . ARG A 1 19  ? 3.943   36.752 75.912  1.00 12.98 ? 20  ARG H CZ  1 
ATOM   139  N  NH1 . ARG A 1 19  ? 5.087   37.412 75.789  1.00 15.38 ? 20  ARG H NH1 1 
ATOM   140  N  NH2 . ARG A 1 19  ? 3.144   36.573 74.868  1.00 12.84 ? 20  ARG H NH2 1 
ATOM   141  N  N   . LEU A 1 20  ? 4.084   34.705 82.199  1.00 7.92  ? 21  LEU H N   1 
ATOM   142  C  CA  . LEU A 1 20  ? 5.468   34.366 82.483  1.00 8.54  ? 21  LEU H CA  1 
ATOM   143  C  C   . LEU A 1 20  ? 5.950   33.340 81.467  1.00 7.87  ? 21  LEU H C   1 
ATOM   144  O  O   . LEU A 1 20  ? 5.229   32.400 81.149  1.00 8.36  ? 21  LEU H O   1 
ATOM   145  C  CB  . LEU A 1 20  ? 5.619   33.796 83.916  1.00 8.93  ? 21  LEU H CB  1 
ATOM   146  C  CG  . LEU A 1 20  ? 5.061   34.635 85.063  1.00 8.76  ? 21  LEU H CG  1 
ATOM   147  C  CD1 . LEU A 1 20  ? 5.490   34.017 86.392  1.00 10.10 ? 21  LEU H CD1 1 
ATOM   148  C  CD2 . LEU A 1 20  ? 5.465   36.081 84.949  1.00 9.27  ? 21  LEU H CD2 1 
ATOM   149  N  N   . SER A 1 21  ? 7.195   33.527 81.042  1.00 8.70  ? 22  SER H N   1 
ATOM   150  C  CA  . SER A 1 21  ? 7.853   32.616 80.135  1.00 8.61  ? 22  SER H CA  1 
ATOM   151  C  C   . SER A 1 21  ? 9.136   32.106 80.776  1.00 8.54  ? 22  SER H C   1 
ATOM   152  O  O   . SER A 1 21  ? 9.828   32.845 81.483  1.00 10.46 ? 22  SER H O   1 
ATOM   153  C  CB  . SER A 1 21  ? 8.183   33.319 78.805  1.00 9.81  ? 22  SER H CB  1 
ATOM   154  O  OG  . SER A 1 21  ? 6.988   33.761 78.124  1.00 12.10 ? 22  SER H OG  1 
ATOM   155  N  N   . CYS A 1 22  ? 9.532   30.892 80.397  1.00 8.42  ? 23  CYS H N   1 
ATOM   156  C  CA  . CYS A 1 22  ? 10.778  30.268 80.841  1.00 9.73  ? 23  CYS H CA  1 
ATOM   157  C  C   . CYS A 1 22  ? 11.364  29.480 79.666  1.00 9.54  ? 23  CYS H C   1 
ATOM   158  O  O   . CYS A 1 22  ? 10.807  28.459 79.300  1.00 10.68 ? 23  CYS H O   1 
ATOM   159  C  CB  . CYS A 1 22  ? 10.439  29.392 82.043  1.00 10.68 ? 23  CYS H CB  1 
ATOM   160  S  SG  . CYS A 1 22  ? 11.765  28.281 82.569  1.00 15.08 ? 23  CYS H SG  1 
ATOM   161  N  N   . ALA A 1 23  ? 12.479  29.977 79.116  1.00 9.40  ? 24  ALA H N   1 
ATOM   162  C  CA  . ALA A 1 23  ? 13.147  29.335 78.009  1.00 10.16 ? 24  ALA H CA  1 
ATOM   163  C  C   . ALA A 1 23  ? 14.293  28.472 78.501  1.00 9.52  ? 24  ALA H C   1 
ATOM   164  O  O   . ALA A 1 23  ? 15.218  28.984 79.149  1.00 11.28 ? 24  ALA H O   1 
ATOM   165  C  CB  . ALA A 1 23  ? 13.677  30.394 77.077  1.00 10.56 ? 24  ALA H CB  1 
ATOM   166  N  N   . VAL A 1 24  ? 14.208  27.174 78.219  1.00 9.69  ? 25  VAL H N   1 
ATOM   167  C  CA  . VAL A 1 24  ? 15.130  26.191 78.765  1.00 10.29 ? 25  VAL H CA  1 
ATOM   168  C  C   . VAL A 1 24  ? 16.093  25.711 77.687  1.00 10.85 ? 25  VAL H C   1 
ATOM   169  O  O   . VAL A 1 24  ? 15.717  25.509 76.513  1.00 14.80 ? 25  VAL H O   1 
ATOM   170  C  CB  . VAL A 1 24  ? 14.327  25.022 79.343  1.00 11.33 ? 25  VAL H CB  1 
ATOM   171  C  CG1 . VAL A 1 24  ? 15.186  23.911 79.912  1.00 12.60 ? 25  VAL H CG1 1 
ATOM   172  C  CG2 . VAL A 1 24  ? 13.342  25.549 80.374  1.00 11.27 ? 25  VAL H CG2 1 
ATOM   173  N  N   . SER A 1 25  ? 17.339  25.497 78.076  1.00 11.15 ? 26  SER H N   1 
ATOM   174  C  CA  . SER A 1 25  ? 18.327  24.900 77.201  1.00 12.83 ? 26  SER H CA  1 
ATOM   175  C  C   . SER A 1 25  ? 19.305  24.054 78.014  1.00 12.26 ? 26  SER H C   1 
ATOM   176  O  O   . SER A 1 25  ? 19.440  24.241 79.237  1.00 12.93 ? 26  SER H O   1 
ATOM   177  C  CB  . SER A 1 25  ? 19.035  25.931 76.399  1.00 16.52 ? 26  SER H CB  1 
ATOM   178  O  OG  . SER A 1 25  ? 19.604  26.919 77.199  1.00 20.55 ? 26  SER H OG  1 
ATOM   179  N  N   . GLY A 1 26  ? 19.936  23.100 77.318  1.00 12.52 ? 27  GLY H N   1 
ATOM   180  C  CA  . GLY A 1 26  ? 21.044  22.358 77.871  1.00 12.95 ? 27  GLY H CA  1 
ATOM   181  C  C   . GLY A 1 26  ? 20.707  20.980 78.435  1.00 11.89 ? 27  GLY H C   1 
ATOM   182  O  O   . GLY A 1 26  ? 21.633  20.264 78.842  1.00 15.72 ? 27  GLY H O   1 
ATOM   183  N  N   . PHE A 1 27  ? 19.421  20.607 78.416  1.00 11.24 ? 28  PHE H N   1 
ATOM   184  C  CA  . PHE A 1 27  ? 18.950  19.278 78.770  1.00 9.46  ? 28  PHE H CA  1 
ATOM   185  C  C   . PHE A 1 27  ? 17.629  19.024 78.016  1.00 9.57  ? 28  PHE H C   1 
ATOM   186  O  O   . PHE A 1 27  ? 17.033  19.975 77.508  1.00 9.69  ? 28  PHE H O   1 
ATOM   187  C  CB  . PHE A 1 27  ? 18.820  19.125 80.291  1.00 10.46 ? 28  PHE H CB  1 
ATOM   188  C  CG  . PHE A 1 27  ? 17.656  19.833 80.930  1.00 10.21 ? 28  PHE H CG  1 
ATOM   189  C  CD1 . PHE A 1 27  ? 17.768  21.139 81.374  1.00 12.85 ? 28  PHE H CD1 1 
ATOM   190  C  CD2 . PHE A 1 27  ? 16.439  19.198 81.091  1.00 10.26 ? 28  PHE H CD2 1 
ATOM   191  C  CE1 . PHE A 1 27  ? 16.700  21.763 81.993  1.00 13.26 ? 28  PHE H CE1 1 
ATOM   192  C  CE2 . PHE A 1 27  ? 15.363  19.848 81.662  1.00 11.16 ? 28  PHE H CE2 1 
ATOM   193  C  CZ  . PHE A 1 27  ? 15.511  21.126 82.118  1.00 12.30 ? 28  PHE H CZ  1 
ATOM   194  N  N   . PRO A 1 28  ? 17.109  17.780 77.967  1.00 9.12  ? 29  PRO H N   1 
ATOM   195  C  CA  . PRO A 1 28  ? 15.910  17.485 77.158  1.00 8.92  ? 29  PRO H CA  1 
ATOM   196  C  C   . PRO A 1 28  ? 14.612  17.847 77.883  1.00 8.58  ? 29  PRO H C   1 
ATOM   197  O  O   . PRO A 1 28  ? 13.930  17.026 78.482  1.00 10.10 ? 29  PRO H O   1 
ATOM   198  C  CB  . PRO A 1 28  ? 16.037  16.005 76.849  1.00 9.49  ? 29  PRO H CB  1 
ATOM   199  C  CG  . PRO A 1 28  ? 16.831  15.426 78.005  1.00 10.96 ? 29  PRO H CG  1 
ATOM   200  C  CD  . PRO A 1 28  ? 17.774  16.544 78.389  1.00 9.66  ? 29  PRO H CD  1 
ATOM   201  N  N   . PHE A 1 29  ? 14.277  19.125 77.770  1.00 9.80  ? 30  PHE H N   1 
ATOM   202  C  CA  . PHE A 1 29  ? 13.122  19.731 78.394  1.00 9.41  ? 30  PHE H CA  1 
ATOM   203  C  C   . PHE A 1 29  ? 11.864  18.889 78.205  1.00 9.38  ? 30  PHE H C   1 
ATOM   204  O  O   . PHE A 1 29  ? 11.086  18.682 79.155  1.00 9.17  ? 30  PHE H O   1 
ATOM   205  C  CB  . PHE A 1 29  ? 12.923  21.124 77.774  1.00 9.85  ? 30  PHE H CB  1 
ATOM   206  C  CG  . PHE A 1 29  ? 11.647  21.811 78.170  1.00 8.85  ? 30  PHE H CG  1 
ATOM   207  C  CD1 . PHE A 1 29  ? 11.526  22.470 79.392  1.00 8.66  ? 30  PHE H CD1 1 
ATOM   208  C  CD2 . PHE A 1 29  ? 10.594  21.913 77.283  1.00 9.04  ? 30  PHE H CD2 1 
ATOM   209  C  CE1 . PHE A 1 29  ? 10.393  23.178 79.718  1.00 8.75  ? 30  PHE H CE1 1 
ATOM   210  C  CE2 . PHE A 1 29  ? 9.447   22.581 77.621  1.00 9.10  ? 30  PHE H CE2 1 
ATOM   211  C  CZ  . PHE A 1 29  ? 9.351   23.253 78.816  1.00 8.58  ? 30  PHE H CZ  1 
ATOM   212  N  N   . SER A 1 30  ? 11.632  18.425 76.965  1.00 11.23 ? 35  SER H N   1 
ATOM   213  C  CA  . SER A 1 30  ? 10.400  17.748 76.614  1.00 13.37 ? 35  SER H CA  1 
ATOM   214  C  C   . SER A 1 30  ? 10.226  16.398 77.313  1.00 13.72 ? 35  SER H C   1 
ATOM   215  O  O   . SER A 1 30  ? 9.145   15.795 77.243  1.00 17.90 ? 35  SER H O   1 
ATOM   216  C  CB  A SER A 1 30  ? 10.340  17.546 75.108  0.50 17.20 ? 35  SER H CB  1 
ATOM   217  C  CB  B SER A 1 30  ? 10.243  17.597 75.135  0.50 14.89 ? 35  SER H CB  1 
ATOM   218  O  OG  A SER A 1 30  ? 10.717  18.723 74.376  0.50 21.08 ? 35  SER H OG  1 
ATOM   219  O  OG  B SER A 1 30  ? 11.217  16.742 74.578  0.50 13.61 ? 35  SER H OG  1 
ATOM   220  N  N   . SER A 1 31  ? 11.274  15.906 77.978  1.00 12.49 ? 36  SER H N   1 
ATOM   221  C  CA  . SER A 1 31  ? 11.222  14.626 78.667  1.00 14.04 ? 36  SER H CA  1 
ATOM   222  C  C   . SER A 1 31  ? 10.850  14.771 80.144  1.00 11.43 ? 36  SER H C   1 
ATOM   223  O  O   . SER A 1 31  ? 10.775  13.737 80.818  1.00 14.93 ? 36  SER H O   1 
ATOM   224  C  CB  A SER A 1 31  ? 12.447  13.817 78.369  0.50 14.96 ? 36  SER H CB  1 
ATOM   225  C  CB  B SER A 1 31  ? 12.596  13.976 78.735  0.50 14.77 ? 36  SER H CB  1 
ATOM   226  O  OG  A SER A 1 31  ? 13.533  14.400 78.968  0.50 12.85 ? 36  SER H OG  1 
ATOM   227  O  OG  B SER A 1 31  ? 13.053  13.574 77.492  0.50 16.37 ? 36  SER H OG  1 
ATOM   228  N  N   . TYR A 1 32  ? 10.662  16.006 80.642  1.00 9.75  ? 37  TYR H N   1 
ATOM   229  C  CA  . TYR A 1 32  ? 10.448  16.217 82.070  1.00 9.09  ? 37  TYR H CA  1 
ATOM   230  C  C   . TYR A 1 32  ? 9.135   16.923 82.338  1.00 8.44  ? 37  TYR H C   1 
ATOM   231  O  O   . TYR A 1 32  ? 8.752   17.876 81.671  1.00 8.61  ? 37  TYR H O   1 
ATOM   232  C  CB  . TYR A 1 32  ? 11.595  17.039 82.674  1.00 9.32  ? 37  TYR H CB  1 
ATOM   233  C  CG  . TYR A 1 32  ? 12.849  16.206 82.752  1.00 8.52  ? 37  TYR H CG  1 
ATOM   234  C  CD1 . TYR A 1 32  ? 13.053  15.311 83.796  1.00 8.68  ? 37  TYR H CD1 1 
ATOM   235  C  CD2 . TYR A 1 32  ? 13.798  16.224 81.737  1.00 8.89  ? 37  TYR H CD2 1 
ATOM   236  C  CE1 . TYR A 1 32  ? 14.132  14.453 83.826  1.00 8.90  ? 37  TYR H CE1 1 
ATOM   237  C  CE2 . TYR A 1 32  ? 14.894  15.395 81.774  1.00 8.41  ? 37  TYR H CE2 1 
ATOM   238  C  CZ  . TYR A 1 32  ? 15.068  14.486 82.800  1.00 8.69  ? 37  TYR H CZ  1 
ATOM   239  O  OH  . TYR A 1 32  ? 16.155  13.644 82.837  1.00 9.62  ? 37  TYR H OH  1 
ATOM   240  N  N   . TRP A 1 33  ? 8.484   16.503 83.428  1.00 7.77  ? 38  TRP H N   1 
ATOM   241  C  CA  . TRP A 1 33  ? 7.508   17.347 84.122  1.00 8.19  ? 38  TRP H CA  1 
ATOM   242  C  C   . TRP A 1 33  ? 8.192   18.639 84.548  1.00 6.89  ? 38  TRP H C   1 
ATOM   243  O  O   . TRP A 1 33  ? 9.371   18.612 84.939  1.00 7.56  ? 38  TRP H O   1 
ATOM   244  C  CB  . TRP A 1 33  ? 6.957   16.653 85.390  1.00 9.62  ? 38  TRP H CB  1 
ATOM   245  C  CG  . TRP A 1 33  ? 5.947   15.596 85.123  1.00 9.96  ? 38  TRP H CG  1 
ATOM   246  C  CD1 . TRP A 1 33  ? 6.180   14.338 84.638  1.00 12.37 ? 38  TRP H CD1 1 
ATOM   247  C  CD2 . TRP A 1 33  ? 4.567   15.630 85.498  1.00 9.81  ? 38  TRP H CD2 1 
ATOM   248  N  NE1 . TRP A 1 33  ? 5.005   13.626 84.586  1.00 12.80 ? 38  TRP H NE1 1 
ATOM   249  C  CE2 . TRP A 1 33  ? 3.997   14.417 85.069  1.00 11.31 ? 38  TRP H CE2 1 
ATOM   250  C  CE3 . TRP A 1 33  ? 3.732   16.624 86.018  1.00 10.97 ? 38  TRP H CE3 1 
ATOM   251  C  CZ2 . TRP A 1 33  ? 2.646   14.149 85.254  1.00 12.17 ? 38  TRP H CZ2 1 
ATOM   252  C  CZ3 . TRP A 1 33  ? 2.398   16.348 86.174  1.00 12.03 ? 38  TRP H CZ3 1 
ATOM   253  C  CH2 . TRP A 1 33  ? 1.872   15.132 85.793  1.00 12.81 ? 38  TRP H CH2 1 
ATOM   254  N  N   . MET A 1 34  ? 7.421   19.727 84.506  1.00 7.05  ? 39  MET H N   1 
ATOM   255  C  CA  . MET A 1 34  ? 7.894   21.048 84.923  1.00 7.31  ? 39  MET H CA  1 
ATOM   256  C  C   . MET A 1 34  ? 6.888   21.667 85.893  1.00 7.13  ? 39  MET H C   1 
ATOM   257  O  O   . MET A 1 34  ? 5.726   21.292 85.919  1.00 7.76  ? 39  MET H O   1 
ATOM   258  C  CB  . MET A 1 34  ? 8.043   21.959 83.691  1.00 7.23  ? 39  MET H CB  1 
ATOM   259  C  CG  . MET A 1 34  ? 9.091   21.479 82.693  1.00 8.07  ? 39  MET H CG  1 
ATOM   260  S  SD  . MET A 1 34  ? 10.813  21.574 83.261  1.00 8.83  ? 39  MET H SD  1 
ATOM   261  C  CE  . MET A 1 34  ? 10.981  23.298 83.681  1.00 9.70  ? 39  MET H CE  1 
ATOM   262  N  N   . SER A 1 35  ? 7.386   22.615 86.663  1.00 8.74  ? 40  SER H N   1 
ATOM   263  C  CA  . SER A 1 35  ? 6.587   23.272 87.689  1.00 8.06  ? 40  SER H CA  1 
ATOM   264  C  C   . SER A 1 35  ? 6.869   24.760 87.724  1.00 7.23  ? 40  SER H C   1 
ATOM   265  O  O   . SER A 1 35  ? 7.903   25.248 87.244  1.00 7.68  ? 40  SER H O   1 
ATOM   266  C  CB  A SER A 1 35  ? 6.747   22.654 89.027  0.50 8.44  ? 40  SER H CB  1 
ATOM   267  C  CB  B SER A 1 35  ? 6.858   22.785 89.137  0.50 9.36  ? 40  SER H CB  1 
ATOM   268  O  OG  A SER A 1 35  ? 8.052   22.909 89.459  0.50 7.54  ? 40  SER H OG  1 
ATOM   269  O  OG  B SER A 1 35  ? 6.625   21.408 89.371  0.50 11.54 ? 40  SER H OG  1 
ATOM   270  N  N   . TRP A 1 36  ? 5.930   25.481 88.357  1.00 6.95  ? 41  TRP H N   1 
ATOM   271  C  CA  . TRP A 1 36  ? 6.181   26.829 88.848  1.00 7.13  ? 41  TRP H CA  1 
ATOM   272  C  C   . TRP A 1 36  ? 6.138   26.800 90.386  1.00 6.91  ? 41  TRP H C   1 
ATOM   273  O  O   . TRP A 1 36  ? 5.262   26.120 90.954  1.00 7.45  ? 41  TRP H O   1 
ATOM   274  C  CB  . TRP A 1 36  ? 5.167   27.849 88.296  1.00 7.45  ? 41  TRP H CB  1 
ATOM   275  C  CG  . TRP A 1 36  ? 5.326   28.059 86.801  1.00 6.97  ? 41  TRP H CG  1 
ATOM   276  C  CD1 . TRP A 1 36  ? 4.639   27.431 85.814  1.00 7.16  ? 41  TRP H CD1 1 
ATOM   277  C  CD2 . TRP A 1 36  ? 6.212   29.011 86.187  1.00 7.00  ? 41  TRP H CD2 1 
ATOM   278  N  NE1 . TRP A 1 36  ? 5.079   27.903 84.604  1.00 7.00  ? 41  TRP H NE1 1 
ATOM   279  C  CE2 . TRP A 1 36  ? 6.029   28.864 84.781  1.00 6.72  ? 41  TRP H CE2 1 
ATOM   280  C  CE3 . TRP A 1 36  ? 7.130   29.969 86.641  1.00 8.41  ? 41  TRP H CE3 1 
ATOM   281  C  CZ2 . TRP A 1 36  ? 6.726   29.649 83.864  1.00 7.22  ? 41  TRP H CZ2 1 
ATOM   282  C  CZ3 . TRP A 1 36  ? 7.838   30.729 85.722  1.00 7.64  ? 41  TRP H CZ3 1 
ATOM   283  C  CH2 . TRP A 1 36  ? 7.608   30.585 84.354  1.00 7.52  ? 41  TRP H CH2 1 
ATOM   284  N  N   . VAL A 1 37  ? 7.074   27.556 90.980  1.00 7.54  ? 42  VAL H N   1 
ATOM   285  C  CA  . VAL A 1 37  ? 7.187   27.703 92.444  1.00 7.89  ? 42  VAL H CA  1 
ATOM   286  C  C   . VAL A 1 37  ? 7.321   29.182 92.718  1.00 8.24  ? 42  VAL H C   1 
ATOM   287  O  O   . VAL A 1 37  ? 7.963   29.908 91.946  1.00 10.79 ? 42  VAL H O   1 
ATOM   288  C  CB  . VAL A 1 37  ? 8.431   26.958 92.928  1.00 7.84  ? 42  VAL H CB  1 
ATOM   289  C  CG1 . VAL A 1 37  ? 8.634   27.135 94.432  1.00 8.50  ? 42  VAL H CG1 1 
ATOM   290  C  CG2 . VAL A 1 37  ? 8.386   25.474 92.600  1.00 8.26  ? 42  VAL H CG2 1 
ATOM   291  N  N   . ARG A 1 38  ? 6.679   29.669 93.792  1.00 7.82  ? 43  ARG H N   1 
ATOM   292  C  CA  . ARG A 1 38  ? 6.784   31.080 94.101  1.00 8.58  ? 43  ARG H CA  1 
ATOM   293  C  C   . ARG A 1 38  ? 7.225   31.287 95.555  1.00 8.93  ? 43  ARG H C   1 
ATOM   294  O  O   . ARG A 1 38  ? 7.135   30.381 96.406  1.00 10.13 ? 43  ARG H O   1 
ATOM   295  C  CB  . ARG A 1 38  ? 5.471   31.801 93.831  1.00 9.14  ? 43  ARG H CB  1 
ATOM   296  C  CG  . ARG A 1 38  ? 4.328   31.452 94.769  1.00 9.86  ? 43  ARG H CG  1 
ATOM   297  C  CD  . ARG A 1 38  ? 3.054   32.216 94.428  1.00 10.34 ? 43  ARG H CD  1 
ATOM   298  N  NE  . ARG A 1 38  ? 1.923   31.782 95.195  1.00 11.72 ? 43  ARG H NE  1 
ATOM   299  C  CZ  . ARG A 1 38  ? 0.711   32.284 95.107  1.00 11.84 ? 43  ARG H CZ  1 
ATOM   300  N  NH1 . ARG A 1 38  ? 0.415   33.123 94.119  1.00 11.46 ? 43  ARG H NH1 1 
ATOM   301  N  NH2 . ARG A 1 38  ? -0.232  31.862 95.923  1.00 15.68 ? 43  ARG H NH2 1 
ATOM   302  N  N   . GLN A 1 39  ? 7.701   32.482 95.820  1.00 8.74  ? 44  GLN H N   1 
ATOM   303  C  CA  . GLN A 1 39  ? 8.205   32.833 97.146  1.00 9.33  ? 44  GLN H CA  1 
ATOM   304  C  C   . GLN A 1 39  ? 7.825   34.277 97.409  1.00 9.64  ? 44  GLN H C   1 
ATOM   305  O  O   . GLN A 1 39  ? 8.400   35.199 96.821  1.00 10.73 ? 44  GLN H O   1 
ATOM   306  C  CB  . GLN A 1 39  ? 9.715   32.662 97.187  1.00 9.53  ? 44  GLN H CB  1 
ATOM   307  C  CG  . GLN A 1 39  ? 10.306  32.912 98.567  1.00 10.65 ? 44  GLN H CG  1 
ATOM   308  C  CD  . GLN A 1 39  ? 11.721  32.409 98.539  1.00 12.12 ? 44  GLN H CD  1 
ATOM   309  O  OE1 . GLN A 1 39  ? 12.494  32.639 97.614  1.00 14.95 ? 44  GLN H OE1 1 
ATOM   310  N  NE2 . GLN A 1 39  ? 12.076  31.665 99.562  1.00 10.83 ? 44  GLN H NE2 1 
ATOM   311  N  N   . ALA A 1 40  ? 6.877   34.456 98.344  1.00 10.95 ? 45  ALA H N   1 
ATOM   312  C  CA  . ALA A 1 40  ? 6.532   35.800 98.771  1.00 12.04 ? 45  ALA H CA  1 
ATOM   313  C  C   . ALA A 1 40  ? 7.722   36.414 99.508  1.00 14.12 ? 45  ALA H C   1 
ATOM   314  O  O   . ALA A 1 40  ? 8.543   35.698 100.083 1.00 12.49 ? 45  ALA H O   1 
ATOM   315  C  CB  . ALA A 1 40  ? 5.282   35.776 99.600  1.00 13.27 ? 45  ALA H CB  1 
ATOM   316  N  N   . PRO A 1 41  ? 7.878   37.754 99.490  1.00 16.76 ? 46  PRO H N   1 
ATOM   317  C  CA  . PRO A 1 41  ? 8.998   38.405 100.155 1.00 19.01 ? 46  PRO H CA  1 
ATOM   318  C  C   . PRO A 1 41  ? 9.132   37.964 101.616 1.00 19.45 ? 46  PRO H C   1 
ATOM   319  O  O   . PRO A 1 41  ? 8.185   38.048 102.397 1.00 19.84 ? 46  PRO H O   1 
ATOM   320  C  CB  . PRO A 1 41  ? 8.659   39.892 100.002 1.00 21.16 ? 46  PRO H CB  1 
ATOM   321  C  CG  . PRO A 1 41  ? 7.797   39.995 98.795  1.00 22.41 ? 46  PRO H CG  1 
ATOM   322  C  CD  . PRO A 1 41  ? 7.003   38.726 98.816  1.00 19.89 ? 46  PRO H CD  1 
ATOM   323  N  N   . GLY A 1 42  ? 10.295  37.401 101.948 1.00 19.99 ? 47  GLY H N   1 
ATOM   324  C  CA  . GLY A 1 42  ? 10.582  36.994 103.320 1.00 19.75 ? 47  GLY H CA  1 
ATOM   325  C  C   . GLY A 1 42  ? 10.007  35.643 103.754 1.00 18.40 ? 47  GLY H C   1 
ATOM   326  O  O   . GLY A 1 42  ? 10.122  35.250 104.906 1.00 21.24 ? 47  GLY H O   1 
ATOM   327  N  N   . LYS A 1 43  ? 9.367   34.941 102.820 1.00 15.17 ? 48  LYS H N   1 
ATOM   328  C  CA  . LYS A 1 43  ? 8.637   33.722 103.114 1.00 14.51 ? 48  LYS H CA  1 
ATOM   329  C  C   . LYS A 1 43  ? 9.280   32.511 102.442 1.00 12.68 ? 48  LYS H C   1 
ATOM   330  O  O   . LYS A 1 43  ? 10.360  32.606 101.835 1.00 13.09 ? 48  LYS H O   1 
ATOM   331  C  CB  . LYS A 1 43  ? 7.159   33.866 102.756 1.00 16.44 ? 48  LYS H CB  1 
ATOM   332  C  CG  . LYS A 1 43  ? 6.415   35.026 103.416 1.00 21.09 ? 48  LYS H CG  1 
ATOM   333  C  CD  . LYS A 1 43  ? 6.305   34.928 104.897 1.00 25.95 ? 48  LYS H CD  1 
ATOM   334  C  CE  . LYS A 1 43  ? 5.433   36.022 105.476 1.00 31.26 ? 48  LYS H CE  1 
ATOM   335  N  NZ  . LYS A 1 43  ? 5.190   35.850 106.925 1.00 38.76 ? 48  LYS H NZ  1 
ATOM   336  N  N   . GLY A 1 44  ? 8.645   31.349 102.642 1.00 12.49 ? 49  GLY H N   1 
ATOM   337  C  CA  . GLY A 1 44  ? 9.167   30.097 102.105 1.00 11.06 ? 49  GLY H CA  1 
ATOM   338  C  C   . GLY A 1 44  ? 8.759   29.847 100.651 1.00 10.02 ? 49  GLY H C   1 
ATOM   339  O  O   . GLY A 1 44  ? 8.026   30.640 100.039 1.00 12.25 ? 49  GLY H O   1 
ATOM   340  N  N   . LEU A 1 45  ? 9.284   28.752 100.125 1.00 9.23  ? 50  LEU H N   1 
ATOM   341  C  CA  . LEU A 1 45  ? 8.908   28.308 98.791  1.00 9.59  ? 50  LEU H CA  1 
ATOM   342  C  C   . LEU A 1 45  ? 7.526   27.672 98.827  1.00 8.93  ? 50  LEU H C   1 
ATOM   343  O  O   . LEU A 1 45  ? 7.206   26.863 99.682  1.00 9.67  ? 50  LEU H O   1 
ATOM   344  C  CB  . LEU A 1 45  ? 9.942   27.298 98.299  1.00 9.44  ? 50  LEU H CB  1 
ATOM   345  C  CG  . LEU A 1 45  ? 11.384  27.790 98.168  1.00 9.25  ? 50  LEU H CG  1 
ATOM   346  C  CD1 . LEU A 1 45  ? 12.307  26.660 97.751  1.00 9.61  ? 50  LEU H CD1 1 
ATOM   347  C  CD2 . LEU A 1 45  ? 11.489  28.905 97.138  1.00 9.64  ? 50  LEU H CD2 1 
ATOM   348  N  N   . GLU A 1 46  ? 6.705   27.995 97.813  1.00 9.03  ? 51  GLU H N   1 
ATOM   349  C  CA  . GLU A 1 46  ? 5.365   27.427 97.648  1.00 9.01  ? 51  GLU H CA  1 
ATOM   350  C  C   . GLU A 1 46  ? 5.205   26.904 96.226  1.00 8.93  ? 51  GLU H C   1 
ATOM   351  O  O   . GLU A 1 46  ? 5.291   27.663 95.263  1.00 8.23  ? 51  GLU H O   1 
ATOM   352  C  CB  . GLU A 1 46  ? 4.253   28.445 97.891  1.00 9.85  ? 51  GLU H CB  1 
ATOM   353  C  CG  . GLU A 1 46  ? 2.872   27.807 97.787  1.00 12.51 ? 51  GLU H CG  1 
ATOM   354  C  CD  . GLU A 1 46  ? 1.643   28.689 97.789  1.00 13.95 ? 51  GLU H CD  1 
ATOM   355  O  OE1 . GLU A 1 46  ? 1.754   29.917 97.485  1.00 16.76 ? 51  GLU H OE1 1 
ATOM   356  O  OE2 . GLU A 1 46  ? 0.537   28.113 98.106  1.00 18.57 ? 51  GLU H OE2 1 
ATOM   357  N  N   . TRP A 1 47  ? 5.005   25.600 96.123  1.00 8.91  ? 52  TRP H N   1 
ATOM   358  C  CA  . TRP A 1 47  ? 4.680   25.016 94.808  1.00 9.07  ? 52  TRP H CA  1 
ATOM   359  C  C   . TRP A 1 47  ? 3.342   25.577 94.360  1.00 8.53  ? 52  TRP H C   1 
ATOM   360  O  O   . TRP A 1 47  ? 2.397   25.690 95.123  1.00 10.66 ? 52  TRP H O   1 
ATOM   361  C  CB  . TRP A 1 47  ? 4.641   23.498 94.964  1.00 10.10 ? 52  TRP H CB  1 
ATOM   362  C  CG  . TRP A 1 47  ? 4.300   22.760 93.710  1.00 9.76  ? 52  TRP H CG  1 
ATOM   363  C  CD1 . TRP A 1 47  ? 5.161   22.218 92.824  1.00 10.76 ? 52  TRP H CD1 1 
ATOM   364  C  CD2 . TRP A 1 47  ? 2.993   22.375 93.326  1.00 9.76  ? 52  TRP H CD2 1 
ATOM   365  N  NE1 . TRP A 1 47  ? 4.460   21.550 91.854  1.00 11.76 ? 52  TRP H NE1 1 
ATOM   366  C  CE2 . TRP A 1 47  ? 3.124   21.640 92.128  1.00 10.72 ? 52  TRP H CE2 1 
ATOM   367  C  CE3 . TRP A 1 47  ? 1.704   22.634 93.792  1.00 9.85  ? 52  TRP H CE3 1 
ATOM   368  C  CZ2 . TRP A 1 47  ? 2.012   21.091 91.473  1.00 11.87 ? 52  TRP H CZ2 1 
ATOM   369  C  CZ3 . TRP A 1 47  ? 0.608   22.141 93.129  1.00 11.57 ? 52  TRP H CZ3 1 
ATOM   370  C  CH2 . TRP A 1 47  ? 0.758   21.380 91.965  1.00 10.98 ? 52  TRP H CH2 1 
ATOM   371  N  N   . VAL A 1 48  ? 3.253   25.919 93.037  1.00 7.94  ? 53  VAL H N   1 
ATOM   372  C  CA  . VAL A 1 48  ? 2.066   26.550 92.430  1.00 8.13  ? 53  VAL H CA  1 
ATOM   373  C  C   . VAL A 1 48  ? 1.342   25.622 91.447  1.00 7.18  ? 53  VAL H C   1 
ATOM   374  O  O   . VAL A 1 48  ? 0.122   25.530 91.463  1.00 8.49  ? 53  VAL H O   1 
ATOM   375  C  CB  . VAL A 1 48  ? 2.475   27.891 91.734  1.00 10.08 ? 53  VAL H CB  1 
ATOM   376  C  CG1 . VAL A 1 48  ? 1.327   28.480 90.934  1.00 11.66 ? 53  VAL H CG1 1 
ATOM   377  C  CG2 . VAL A 1 48  ? 3.044   28.903 92.732  1.00 11.73 ? 53  VAL H CG2 1 
ATOM   378  N  N   . ALA A 1 49  ? 2.092   24.968 90.552  1.00 7.29  ? 54  ALA H N   1 
ATOM   379  C  CA  . ALA A 1 49  ? 1.487   24.201 89.457  1.00 7.31  ? 54  ALA H CA  1 
ATOM   380  C  C   . ALA A 1 49  ? 2.556   23.303 88.840  1.00 7.30  ? 54  ALA H C   1 
ATOM   381  O  O   . ALA A 1 49  ? 3.756   23.613 88.871  1.00 8.08  ? 54  ALA H O   1 
ATOM   382  C  CB  . ALA A 1 49  ? 0.919   25.087 88.401  1.00 8.17  ? 54  ALA H CB  1 
ATOM   383  N  N   . ASN A 1 50  ? 2.094   22.210 88.203  1.00 7.11  ? 55  ASN H N   1 
ATOM   384  C  CA  . ASN A 1 50  ? 3.007   21.391 87.416  1.00 7.28  ? 55  ASN H CA  1 
ATOM   385  C  C   . ASN A 1 50  ? 2.290   20.911 86.141  1.00 6.75  ? 55  ASN H C   1 
ATOM   386  O  O   . ASN A 1 50  ? 1.077   21.044 85.994  1.00 7.70  ? 55  ASN H O   1 
ATOM   387  C  CB  . ASN A 1 50  ? 3.675   20.271 88.191  1.00 8.86  ? 55  ASN H CB  1 
ATOM   388  C  CG  . ASN A 1 50  ? 2.749   19.173 88.565  1.00 9.43  ? 55  ASN H CG  1 
ATOM   389  O  OD1 . ASN A 1 50  ? 1.556   19.257 88.320  1.00 11.80 ? 55  ASN H OD1 1 
ATOM   390  N  ND2 . ASN A 1 50  ? 3.287   18.196 89.291  1.00 13.48 ? 55  ASN H ND2 1 
ATOM   391  N  N   . ILE A 1 51  ? 3.091   20.336 85.248  1.00 6.99  ? 56  ILE H N   1 
ATOM   392  C  CA  . ILE A 1 51  ? 2.616   19.923 83.925  1.00 6.88  ? 56  ILE H CA  1 
ATOM   393  C  C   . ILE A 1 51  ? 3.461   18.743 83.433  1.00 6.98  ? 56  ILE H C   1 
ATOM   394  O  O   . ILE A 1 51  ? 4.696   18.753 83.485  1.00 7.68  ? 56  ILE H O   1 
ATOM   395  C  CB  . ILE A 1 51  ? 2.601   21.107 82.940  1.00 7.22  ? 56  ILE H CB  1 
ATOM   396  C  CG1 . ILE A 1 51  ? 1.942   20.705 81.608  1.00 7.91  ? 56  ILE H CG1 1 
ATOM   397  C  CG2 . ILE A 1 51  ? 3.995   21.669 82.735  1.00 7.64  ? 56  ILE H CG2 1 
ATOM   398  C  CD1 . ILE A 1 51  ? 1.630   21.919 80.748  1.00 8.71  ? 56  ILE H CD1 1 
ATOM   399  N  N   . LYS A 1 52  ? 2.755   17.758 82.875  1.00 6.63  ? 57  LYS H N   1 
ATOM   400  C  CA  . LYS A 1 52  ? 3.344   16.557 82.298  1.00 7.74  ? 57  LYS H CA  1 
ATOM   401  C  C   . LYS A 1 52  ? 4.171   16.905 81.036  1.00 7.97  ? 57  LYS H C   1 
ATOM   402  O  O   . LYS A 1 52  ? 4.010   17.971 80.435  1.00 8.06  ? 57  LYS H O   1 
ATOM   403  C  CB  . LYS A 1 52  ? 2.199   15.588 81.949  1.00 9.27  ? 57  LYS H CB  1 
ATOM   404  C  CG  . LYS A 1 52  ? 2.598   14.174 81.550  1.00 10.41 ? 57  LYS H CG  1 
ATOM   405  C  CD  . LYS A 1 52  ? 1.460   13.198 81.617  1.00 13.00 ? 57  LYS H CD  1 
ATOM   406  C  CE  . LYS A 1 52  ? 1.815   11.852 81.035  1.00 18.26 ? 57  LYS H CE  1 
ATOM   407  N  NZ  . LYS A 1 52  ? 0.779   10.834 81.305  1.00 22.68 ? 57  LYS H NZ  1 
ATOM   408  N  N   . GLU A 1 53  ? 5.067   15.984 80.676  1.00 9.39  ? 58  GLU H N   1 
ATOM   409  C  CA  . GLU A 1 53  ? 5.952   16.139 79.546  1.00 10.31 ? 58  GLU H CA  1 
ATOM   410  C  C   . GLU A 1 53  ? 5.224   16.642 78.300  1.00 9.69  ? 58  GLU H C   1 
ATOM   411  O  O   . GLU A 1 53  ? 5.745   17.540 77.630  1.00 9.64  ? 58  GLU H O   1 
ATOM   412  C  CB  . GLU A 1 53  ? 6.672   14.809 79.185  1.00 12.48 ? 58  GLU H CB  1 
ATOM   413  C  CG  . GLU A 1 53  ? 7.633   14.304 80.220  1.00 16.67 ? 58  GLU H CG  1 
ATOM   414  C  CD  . GLU A 1 53  ? 7.080   13.404 81.314  1.00 17.54 ? 58  GLU H CD  1 
ATOM   415  O  OE1 . GLU A 1 53  ? 5.871   13.372 81.493  1.00 15.76 ? 58  GLU H OE1 1 
ATOM   416  O  OE2 . GLU A 1 53  ? 7.936   12.667 81.951  1.00 22.68 ? 58  GLU H OE2 1 
ATOM   417  N  N   . ASP A 1 54  ? 4.066   16.057 78.008  1.00 9.20  ? 59  ASP H N   1 
ATOM   418  C  CA  . ASP A 1 54  ? 3.326   16.379 76.795  1.00 9.67  ? 59  ASP H CA  1 
ATOM   419  C  C   . ASP A 1 54  ? 2.183   17.346 77.026  1.00 9.85  ? 59  ASP H C   1 
ATOM   420  O  O   . ASP A 1 54  ? 1.405   17.632 76.135  1.00 11.77 ? 59  ASP H O   1 
ATOM   421  C  CB  . ASP A 1 54  ? 2.783   15.108 76.141  1.00 11.11 ? 59  ASP H CB  1 
ATOM   422  C  CG  . ASP A 1 54  ? 1.670   14.418 76.904  1.00 12.92 ? 59  ASP H CG  1 
ATOM   423  O  OD1 . ASP A 1 54  ? 1.392   14.843 78.089  1.00 11.65 ? 59  ASP H OD1 1 
ATOM   424  O  OD2 . ASP A 1 54  ? 1.092   13.430 76.337  1.00 19.36 ? 59  ASP H OD2 1 
ATOM   425  N  N   . GLY A 1 55  ? 2.084   17.926 78.215  1.00 8.49  ? 62  GLY H N   1 
ATOM   426  C  CA  . GLY A 1 55  ? 1.069   18.908 78.520  1.00 8.92  ? 62  GLY H CA  1 
ATOM   427  C  C   . GLY A 1 55  ? -0.296  18.335 78.898  1.00 8.26  ? 62  GLY H C   1 
ATOM   428  O  O   . GLY A 1 55  ? -1.199  19.104 79.225  1.00 9.50  ? 62  GLY H O   1 
ATOM   429  N  N   . SER A 1 56  ? -0.444  17.012 78.871  1.00 8.85  ? 63  SER H N   1 
ATOM   430  C  CA  . SER A 1 56  ? -1.761  16.379 78.957  1.00 9.56  ? 63  SER H CA  1 
ATOM   431  C  C   . SER A 1 56  ? -2.341  16.264 80.364  1.00 10.06 ? 63  SER H C   1 
ATOM   432  O  O   . SER A 1 56  ? -3.523  15.935 80.497  1.00 11.67 ? 63  SER H O   1 
ATOM   433  C  CB  . SER A 1 56  ? -1.752  15.021 78.303  1.00 10.70 ? 63  SER H CB  1 
ATOM   434  O  OG  . SER A 1 56  ? -0.986  14.094 79.060  1.00 12.06 ? 63  SER H OG  1 
ATOM   435  N  N   . GLU A 1 57  ? -1.522  16.464 81.391  1.00 9.11  ? 64  GLU H N   1 
ATOM   436  C  CA  . GLU A 1 57  ? -1.962  16.483 82.790  1.00 9.89  ? 64  GLU H CA  1 
ATOM   437  C  C   . GLU A 1 57  ? -1.283  17.682 83.439  1.00 9.60  ? 64  GLU H C   1 
ATOM   438  O  O   . GLU A 1 57  ? -0.116  17.989 83.157  1.00 9.55  ? 64  GLU H O   1 
ATOM   439  C  CB  . GLU A 1 57  ? -1.544  15.208 83.493  1.00 13.18 ? 64  GLU H CB  1 
ATOM   440  C  CG  . GLU A 1 57  ? -2.130  13.916 83.000  1.00 17.28 ? 64  GLU H CG  1 
ATOM   441  C  CD  . GLU A 1 57  ? -1.598  12.694 83.772  1.00 25.75 ? 64  GLU H CD  1 
ATOM   442  O  OE1 . GLU A 1 57  ? -0.859  12.854 84.783  1.00 30.11 ? 64  GLU H OE1 1 
ATOM   443  O  OE2 . GLU A 1 57  ? -1.876  11.562 83.342  1.00 39.29 ? 64  GLU H OE2 1 
ATOM   444  N  N   . LYS A 1 58  ? -2.005  18.301 84.358  1.00 9.89  ? 65  LYS H N   1 
ATOM   445  C  CA  . LYS A 1 58  ? -1.476  19.408 85.105  1.00 10.86 ? 65  LYS H CA  1 
ATOM   446  C  C   . LYS A 1 58  ? -2.274  19.557 86.398  1.00 9.29  ? 65  LYS H C   1 
ATOM   447  O  O   . LYS A 1 58  ? -3.453  19.186 86.479  1.00 11.20 ? 65  LYS H O   1 
ATOM   448  C  CB  . LYS A 1 58  ? -1.552  20.684 84.304  1.00 13.05 ? 65  LYS H CB  1 
ATOM   449  C  CG  . LYS A 1 58  ? -2.907  21.109 83.854  1.00 14.28 ? 65  LYS H CG  1 
ATOM   450  C  CD  . LYS A 1 58  ? -2.902  21.616 82.418  1.00 17.39 ? 65  LYS H CD  1 
ATOM   451  C  CE  . LYS A 1 58  ? -2.702  20.459 81.471  1.00 18.38 ? 65  LYS H CE  1 
ATOM   452  N  NZ  . LYS A 1 58  ? -3.100  20.870 80.127  1.00 18.33 ? 65  LYS H NZ  1 
ATOM   453  N  N   . TYR A 1 59  ? -1.591  20.120 87.389  1.00 8.88  ? 66  TYR H N   1 
ATOM   454  C  CA  . TYR A 1 59  ? -2.167  20.292 88.730  1.00 9.03  ? 66  TYR H CA  1 
ATOM   455  C  C   . TYR A 1 59  ? -1.823  21.683 89.253  1.00 8.61  ? 66  TYR H C   1 
ATOM   456  O  O   . TYR A 1 59  ? -0.790  22.274 88.863  1.00 8.33  ? 66  TYR H O   1 
ATOM   457  C  CB  . TYR A 1 59  ? -1.614  19.212 89.684  1.00 10.09 ? 66  TYR H CB  1 
ATOM   458  C  CG  . TYR A 1 59  ? -1.938  17.814 89.256  1.00 13.08 ? 66  TYR H CG  1 
ATOM   459  C  CD1 . TYR A 1 59  ? -3.140  17.231 89.577  1.00 16.43 ? 66  TYR H CD1 1 
ATOM   460  C  CD2 . TYR A 1 59  ? -1.060  17.095 88.479  1.00 15.66 ? 66  TYR H CD2 1 
ATOM   461  C  CE1 . TYR A 1 59  ? -3.445  15.948 89.162  1.00 20.40 ? 66  TYR H CE1 1 
ATOM   462  C  CE2 . TYR A 1 59  ? -1.375  15.839 88.001  1.00 18.59 ? 66  TYR H CE2 1 
ATOM   463  C  CZ  . TYR A 1 59  ? -2.563  15.252 88.372  1.00 19.96 ? 66  TYR H CZ  1 
ATOM   464  O  OH  . TYR A 1 59  ? -2.877  13.995 87.939  1.00 28.13 ? 66  TYR H OH  1 
ATOM   465  N  N   . TYR A 1 60  ? -2.719  22.186 90.123  1.00 8.51  ? 67  TYR H N   1 
ATOM   466  C  CA  . TYR A 1 60  ? -2.611  23.534 90.669  1.00 8.14  ? 67  TYR H CA  1 
ATOM   467  C  C   . TYR A 1 60  ? -2.912  23.559 92.158  1.00 9.00  ? 67  TYR H C   1 
ATOM   468  O  O   . TYR A 1 60  ? -3.778  22.834 92.637  1.00 9.83  ? 67  TYR H O   1 
ATOM   469  C  CB  . TYR A 1 60  ? -3.662  24.442 90.034  1.00 8.14  ? 67  TYR H CB  1 
ATOM   470  C  CG  . TYR A 1 60  ? -3.514  24.566 88.533  1.00 7.81  ? 67  TYR H CG  1 
ATOM   471  C  CD1 . TYR A 1 60  ? -2.681  25.532 87.960  1.00 7.74  ? 67  TYR H CD1 1 
ATOM   472  C  CD2 . TYR A 1 60  ? -4.200  23.716 87.676  1.00 8.03  ? 67  TYR H CD2 1 
ATOM   473  C  CE1 . TYR A 1 60  ? -2.540  25.667 86.580  1.00 7.79  ? 67  TYR H CE1 1 
ATOM   474  C  CE2 . TYR A 1 60  ? -4.059  23.832 86.280  1.00 7.97  ? 67  TYR H CE2 1 
ATOM   475  C  CZ  . TYR A 1 60  ? -3.243  24.805 85.755  1.00 7.42  ? 67  TYR H CZ  1 
ATOM   476  O  OH  . TYR A 1 60  ? -3.067  24.975 84.387  1.00 7.84  ? 67  TYR H OH  1 
ATOM   477  N  N   . VAL A 1 61  ? -2.263  24.484 92.851  1.00 10.04 ? 68  VAL H N   1 
ATOM   478  C  CA  . VAL A 1 61  ? -2.664  24.751 94.223  1.00 10.70 ? 68  VAL H CA  1 
ATOM   479  C  C   . VAL A 1 61  ? -4.065  25.365 94.215  1.00 11.07 ? 68  VAL H C   1 
ATOM   480  O  O   . VAL A 1 61  ? -4.452  26.113 93.305  1.00 10.72 ? 68  VAL H O   1 
ATOM   481  C  CB  A VAL A 1 61  ? -1.689  25.646 95.012  0.50 11.60 ? 68  VAL H CB  1 
ATOM   482  C  CB  B VAL A 1 61  ? -1.531  25.605 94.838  0.50 12.97 ? 68  VAL H CB  1 
ATOM   483  C  CG1 A VAL A 1 61  ? -0.475  24.857 95.377  0.50 11.76 ? 68  VAL H CG1 1 
ATOM   484  C  CG1 B VAL A 1 61  ? -1.711  27.084 94.586  0.50 12.27 ? 68  VAL H CG1 1 
ATOM   485  C  CG2 A VAL A 1 61  ? -1.298  26.931 94.312  0.50 9.48  ? 68  VAL H CG2 1 
ATOM   486  C  CG2 B VAL A 1 61  ? -1.359  25.357 96.310  0.50 13.73 ? 68  VAL H CG2 1 
ATOM   487  N  N   . ASP A 1 62  ? -4.855  25.118 95.267  1.00 12.11 ? 69  ASP H N   1 
ATOM   488  C  CA  . ASP A 1 62  ? -6.243  25.544 95.320  1.00 12.28 ? 69  ASP H CA  1 
ATOM   489  C  C   . ASP A 1 62  ? -6.405  27.042 95.114  1.00 11.53 ? 69  ASP H C   1 
ATOM   490  O  O   . ASP A 1 62  ? -7.388  27.464 94.507  1.00 14.31 ? 69  ASP H O   1 
ATOM   491  C  CB  . ASP A 1 62  ? -6.842  25.109 96.654  1.00 15.91 ? 69  ASP H CB  1 
ATOM   492  C  CG  . ASP A 1 62  ? -8.310  25.389 96.793  1.00 20.56 ? 69  ASP H CG  1 
ATOM   493  O  OD1 . ASP A 1 62  ? -9.120  24.518 96.346  1.00 22.92 ? 69  ASP H OD1 1 
ATOM   494  O  OD2 . ASP A 1 62  ? -8.641  26.474 97.323  1.00 28.20 ? 69  ASP H OD2 1 
ATOM   495  N  N   . SER A 1 63  ? -5.484  27.841 95.665  1.00 10.85 ? 70  SER H N   1 
ATOM   496  C  CA  . SER A 1 63  ? -5.642  29.290 95.628  1.00 11.49 ? 70  SER H CA  1 
ATOM   497  C  C   . SER A 1 63  ? -5.449  29.908 94.234  1.00 10.43 ? 70  SER H C   1 
ATOM   498  O  O   . SER A 1 63  ? -5.686  31.105 94.060  1.00 11.78 ? 70  SER H O   1 
ATOM   499  C  CB  . SER A 1 63  ? -4.667  29.970 96.585  1.00 12.21 ? 70  SER H CB  1 
ATOM   500  O  OG  . SER A 1 63  ? -3.334  29.685 96.199  1.00 14.18 ? 70  SER H OG  1 
ATOM   501  N  N   . VAL A 1 64  ? -4.956  29.114 93.286  1.00 10.54 ? 71  VAL H N   1 
ATOM   502  C  CA  . VAL A 1 64  ? -4.773  29.620 91.931  1.00 8.98  ? 71  VAL H CA  1 
ATOM   503  C  C   . VAL A 1 64  ? -5.614  28.848 90.912  1.00 8.52  ? 71  VAL H C   1 
ATOM   504  O  O   . VAL A 1 64  ? -5.648  29.250 89.738  1.00 8.60  ? 71  VAL H O   1 
ATOM   505  C  CB  . VAL A 1 64  ? -3.284  29.639 91.503  1.00 8.86  ? 71  VAL H CB  1 
ATOM   506  C  CG1 . VAL A 1 64  ? -2.411  30.307 92.546  1.00 10.46 ? 71  VAL H CG1 1 
ATOM   507  C  CG2 . VAL A 1 64  ? -2.761  28.273 91.101  1.00 9.08  ? 71  VAL H CG2 1 
ATOM   508  N  N   . LYS A 1 65  ? -6.232  27.746 91.291  1.00 9.26  ? 72  LYS H N   1 
ATOM   509  C  CA  . LYS A 1 65  ? -6.992  26.930 90.347  1.00 9.55  ? 72  LYS H CA  1 
ATOM   510  C  C   . LYS A 1 65  ? -8.061  27.780 89.681  1.00 9.18  ? 72  LYS H C   1 
ATOM   511  O  O   . LYS A 1 65  ? -8.812  28.516 90.333  1.00 10.65 ? 72  LYS H O   1 
ATOM   512  C  CB  . LYS A 1 65  ? -7.664  25.760 91.051  1.00 11.12 ? 72  LYS H CB  1 
ATOM   513  C  CG  . LYS A 1 65  ? -8.430  24.801 90.184  1.00 15.51 ? 72  LYS H CG  1 
ATOM   514  C  CD  . LYS A 1 65  ? -7.594  24.065 89.256  1.00 19.72 ? 72  LYS H CD  1 
ATOM   515  C  CE  . LYS A 1 65  ? -8.364  23.170 88.295  1.00 27.84 ? 72  LYS H CE  1 
ATOM   516  N  NZ  . LYS A 1 65  ? -9.047  22.077 89.013  1.00 33.08 ? 72  LYS H NZ  1 
ATOM   517  N  N   . GLY A 1 66  ? -8.141  27.685 88.349  1.00 9.30  ? 74  GLY H N   1 
ATOM   518  C  CA  . GLY A 1 66  ? -9.132  28.419 87.600  1.00 10.82 ? 74  GLY H CA  1 
ATOM   519  C  C   . GLY A 1 66  ? -8.679  29.782 87.112  1.00 10.55 ? 74  GLY H C   1 
ATOM   520  O  O   . GLY A 1 66  ? -9.340  30.347 86.240  1.00 13.42 ? 74  GLY H O   1 
ATOM   521  N  N   . ARG A 1 67  ? -7.588  30.337 87.668  1.00 8.80  ? 75  ARG H N   1 
ATOM   522  C  CA  . ARG A 1 67  ? -7.123  31.651 87.251  1.00 9.83  ? 75  ARG H CA  1 
ATOM   523  C  C   . ARG A 1 67  ? -5.669  31.679 86.826  1.00 8.46  ? 75  ARG H C   1 
ATOM   524  O  O   . ARG A 1 67  ? -5.239  32.665 86.249  1.00 8.47  ? 75  ARG H O   1 
ATOM   525  C  CB  . ARG A 1 67  ? -7.410  32.731 88.304  1.00 11.53 ? 75  ARG H CB  1 
ATOM   526  C  CG  . ARG A 1 67  ? -6.569  32.566 89.541  1.00 11.65 ? 75  ARG H CG  1 
ATOM   527  C  CD  . ARG A 1 67  ? -6.945  33.566 90.632  1.00 11.04 ? 75  ARG H CD  1 
ATOM   528  N  NE  . ARG A 1 67  ? -6.139  33.335 91.825  1.00 10.51 ? 75  ARG H NE  1 
ATOM   529  C  CZ  . ARG A 1 67  ? -5.124  34.091 92.208  1.00 9.28  ? 75  ARG H CZ  1 
ATOM   530  N  NH1 . ARG A 1 67  ? -4.788  35.178 91.540  1.00 9.46  ? 75  ARG H NH1 1 
ATOM   531  N  NH2 . ARG A 1 67  ? -4.399  33.748 93.268  1.00 10.57 ? 75  ARG H NH2 1 
ATOM   532  N  N   . PHE A 1 68  ? -4.902  30.638 87.108  1.00 8.30  ? 76  PHE H N   1 
ATOM   533  C  CA  . PHE A 1 68  ? -3.557  30.453 86.580  1.00 8.13  ? 76  PHE H CA  1 
ATOM   534  C  C   . PHE A 1 68  ? -3.604  29.229 85.676  1.00 7.69  ? 76  PHE H C   1 
ATOM   535  O  O   . PHE A 1 68  ? -4.247  28.250 85.995  1.00 9.87  ? 76  PHE H O   1 
ATOM   536  C  CB  . PHE A 1 68  ? -2.495  30.167 87.654  1.00 8.54  ? 76  PHE H CB  1 
ATOM   537  C  CG  . PHE A 1 68  ? -2.043  31.317 88.511  1.00 9.00  ? 76  PHE H CG  1 
ATOM   538  C  CD1 . PHE A 1 68  ? -2.759  32.508 88.588  1.00 9.49  ? 76  PHE H CD1 1 
ATOM   539  C  CD2 . PHE A 1 68  ? -0.912  31.170 89.288  1.00 10.08 ? 76  PHE H CD2 1 
ATOM   540  C  CE1 . PHE A 1 68  ? -2.349  33.523 89.447  1.00 10.40 ? 76  PHE H CE1 1 
ATOM   541  C  CE2 . PHE A 1 68  ? -0.493  32.196 90.133  1.00 10.70 ? 76  PHE H CE2 1 
ATOM   542  C  CZ  . PHE A 1 68  ? -1.223  33.355 90.233  1.00 10.29 ? 76  PHE H CZ  1 
ATOM   543  N  N   . THR A 1 69  ? -2.894  29.312 84.533  1.00 6.92  ? 77  THR H N   1 
ATOM   544  C  CA  . THR A 1 69  ? -2.800  28.198 83.612  1.00 7.09  ? 77  THR H CA  1 
ATOM   545  C  C   . THR A 1 69  ? -1.334  27.949 83.292  1.00 6.88  ? 77  THR H C   1 
ATOM   546  O  O   . THR A 1 69  ? -0.628  28.872 82.847  1.00 6.73  ? 77  THR H O   1 
ATOM   547  C  CB  . THR A 1 69  ? -3.576  28.455 82.311  1.00 8.37  ? 77  THR H CB  1 
ATOM   548  O  OG1 . THR A 1 69  ? -4.942  28.690 82.640  1.00 11.99 ? 77  THR H OG1 1 
ATOM   549  C  CG2 . THR A 1 69  ? -3.470  27.312 81.352  1.00 9.12  ? 77  THR H CG2 1 
ATOM   550  N  N   . ILE A 1 70  ? -0.889  26.715 83.543  1.00 6.57  ? 78  ILE H N   1 
ATOM   551  C  CA  . ILE A 1 70  ? 0.439   26.271 83.162  1.00 6.56  ? 78  ILE H CA  1 
ATOM   552  C  C   . ILE A 1 70  ? 0.349   25.637 81.769  1.00 6.28  ? 78  ILE H C   1 
ATOM   553  O  O   . ILE A 1 70  ? -0.607  24.936 81.506  1.00 7.11  ? 78  ILE H O   1 
ATOM   554  C  CB  . ILE A 1 70  ? 1.057   25.349 84.246  1.00 7.05  ? 78  ILE H CB  1 
ATOM   555  C  CG1 . ILE A 1 70  ? 2.530   25.067 83.955  1.00 7.40  ? 78  ILE H CG1 1 
ATOM   556  C  CG2 . ILE A 1 70  ? 0.271   24.067 84.407  1.00 7.20  ? 78  ILE H CG2 1 
ATOM   557  C  CD1 . ILE A 1 70  ? 3.214   24.281 85.078  1.00 7.38  ? 78  ILE H CD1 1 
ATOM   558  N  N   . SER A 1 71  ? 1.333   25.922 80.909  1.00 6.45  ? 79  SER H N   1 
ATOM   559  C  CA  . SER A 1 71  ? 1.393   25.349 79.571  1.00 6.76  ? 79  SER H CA  1 
ATOM   560  C  C   . SER A 1 71  ? 2.861   25.276 79.159  1.00 6.91  ? 79  SER H C   1 
ATOM   561  O  O   . SER A 1 71  ? 3.747   25.838 79.802  1.00 6.96  ? 79  SER H O   1 
ATOM   562  C  CB  . SER A 1 71  ? 0.563   26.143 78.583  1.00 6.82  ? 79  SER H CB  1 
ATOM   563  O  OG  . SER A 1 71  ? 1.089   27.444 78.410  1.00 6.85  ? 79  SER H OG  1 
ATOM   564  N  N   . ARG A 1 72  ? 3.105   24.568 78.048  1.00 7.11  ? 80  ARG H N   1 
ATOM   565  C  CA  . ARG A 1 72  ? 4.468   24.445 77.555  1.00 7.28  ? 80  ARG H CA  1 
ATOM   566  C  C   . ARG A 1 72  ? 4.448   24.410 76.023  1.00 7.56  ? 80  ARG H C   1 
ATOM   567  O  O   . ARG A 1 72  ? 3.457   23.982 75.428  1.00 8.81  ? 80  ARG H O   1 
ATOM   568  C  CB  . ARG A 1 72  ? 5.170   23.220 78.151  1.00 7.57  ? 80  ARG H CB  1 
ATOM   569  C  CG  . ARG A 1 72  ? 4.546   21.886 77.769  1.00 7.21  ? 80  ARG H CG  1 
ATOM   570  C  CD  . ARG A 1 72  ? 4.993   20.748 78.668  1.00 8.32  ? 80  ARG H CD  1 
ATOM   571  N  NE  . ARG A 1 72  ? 6.407   20.505 78.592  1.00 7.82  ? 80  ARG H NE  1 
ATOM   572  C  CZ  . ARG A 1 72  ? 7.139   19.900 79.546  1.00 7.27  ? 80  ARG H CZ  1 
ATOM   573  N  NH1 . ARG A 1 72  ? 6.554   19.414 80.626  1.00 8.28  ? 80  ARG H NH1 1 
ATOM   574  N  NH2 . ARG A 1 72  ? 8.446   19.752 79.389  1.00 8.18  ? 80  ARG H NH2 1 
ATOM   575  N  N   . ASP A 1 73  ? 5.577   24.833 75.464  1.00 7.83  ? 81  ASP H N   1 
ATOM   576  C  CA  . ASP A 1 73  ? 5.800   24.740 74.035  1.00 8.17  ? 81  ASP H CA  1 
ATOM   577  C  C   . ASP A 1 73  ? 7.092   23.950 73.870  1.00 8.34  ? 81  ASP H C   1 
ATOM   578  O  O   . ASP A 1 73  ? 8.185   24.484 73.943  1.00 9.39  ? 81  ASP H O   1 
ATOM   579  C  CB  . ASP A 1 73  ? 5.878   26.115 73.382  1.00 9.05  ? 81  ASP H CB  1 
ATOM   580  C  CG  . ASP A 1 73  ? 6.045   26.112 71.875  1.00 9.54  ? 81  ASP H CG  1 
ATOM   581  O  OD1 . ASP A 1 73  ? 6.513   25.089 71.336  1.00 11.29 ? 81  ASP H OD1 1 
ATOM   582  O  OD2 . ASP A 1 73  ? 5.703   27.174 71.293  1.00 13.53 ? 81  ASP H OD2 1 
ATOM   583  N  N   . ASN A 1 74  ? 6.966   22.630 73.707  1.00 8.38  ? 82  ASN H N   1 
ATOM   584  C  CA  . ASN A 1 74  ? 8.138   21.767 73.596  1.00 8.42  ? 82  ASN H CA  1 
ATOM   585  C  C   . ASN A 1 74  ? 8.994   22.133 72.382  1.00 9.50  ? 82  ASN H C   1 
ATOM   586  O  O   . ASN A 1 74  ? 10.203  22.066 72.455  1.00 10.41 ? 82  ASN H O   1 
ATOM   587  C  CB  . ASN A 1 74  ? 7.690   20.317 73.638  1.00 9.13  ? 82  ASN H CB  1 
ATOM   588  C  CG  . ASN A 1 74  ? 7.299   19.855 75.017  1.00 9.18  ? 82  ASN H CG  1 
ATOM   589  O  OD1 . ASN A 1 74  ? 7.624   20.496 76.019  1.00 10.15 ? 82  ASN H OD1 1 
ATOM   590  N  ND2 . ASN A 1 74  ? 6.594   18.746 75.069  1.00 12.07 ? 82  ASN H ND2 1 
ATOM   591  N  N   . ALA A 1 75  ? 8.361   22.548 71.272  1.00 10.39 ? 83  ALA H N   1 
ATOM   592  C  CA  . ALA A 1 75  ? 9.132   22.935 70.101  1.00 11.23 ? 83  ALA H CA  1 
ATOM   593  C  C   . ALA A 1 75  ? 10.073  24.111 70.390  1.00 12.46 ? 83  ALA H C   1 
ATOM   594  O  O   . ALA A 1 75  ? 11.119  24.225 69.748  1.00 15.67 ? 83  ALA H O   1 
ATOM   595  C  CB  . ALA A 1 75  ? 8.203   23.289 68.956  1.00 12.88 ? 83  ALA H CB  1 
ATOM   596  N  N   . LYS A 1 76  ? 9.683   25.019 71.295  1.00 10.50 ? 84  LYS H N   1 
ATOM   597  C  CA  . LYS A 1 76  ? 10.511  26.135 71.731  1.00 11.79 ? 84  LYS H CA  1 
ATOM   598  C  C   . LYS A 1 76  ? 11.169  25.898 73.092  1.00 10.57 ? 84  LYS H C   1 
ATOM   599  O  O   . LYS A 1 76  ? 11.761  26.834 73.645  1.00 11.49 ? 84  LYS H O   1 
ATOM   600  C  CB  . LYS A 1 76  ? 9.655   27.411 71.853  1.00 13.77 ? 84  LYS H CB  1 
ATOM   601  C  CG  . LYS A 1 76  ? 9.115   27.916 70.532  1.00 16.20 ? 84  LYS H CG  1 
ATOM   602  C  CD  . LYS A 1 76  ? 8.434   29.266 70.656  1.00 18.34 ? 84  LYS H CD  1 
ATOM   603  C  CE  . LYS A 1 76  ? 7.944   29.763 69.315  1.00 25.14 ? 84  LYS H CE  1 
ATOM   604  N  NZ  . LYS A 1 76  ? 7.544   31.179 69.347  1.00 32.45 ? 84  LYS H NZ  1 
ATOM   605  N  N   . ASN A 1 77  ? 11.141  24.657 73.592  1.00 10.63 ? 85  ASN H N   1 
ATOM   606  C  CA  . ASN A 1 77  ? 11.738  24.345 74.895  1.00 10.78 ? 85  ASN H CA  1 
ATOM   607  C  C   . ASN A 1 77  ? 11.336  25.371 75.948  1.00 9.99  ? 85  ASN H C   1 
ATOM   608  O  O   . ASN A 1 77  ? 12.187  25.795 76.735  1.00 10.41 ? 85  ASN H O   1 
ATOM   609  C  CB  . ASN A 1 77  ? 13.259  24.196 74.775  1.00 12.97 ? 85  ASN H CB  1 
ATOM   610  C  CG  . ASN A 1 77  ? 13.614  22.984 73.955  1.00 18.52 ? 85  ASN H CG  1 
ATOM   611  O  OD1 . ASN A 1 77  ? 14.316  23.081 72.948  1.00 34.93 ? 85  ASN H OD1 1 
ATOM   612  N  ND2 . ASN A 1 77  ? 13.065  21.862 74.286  1.00 17.19 ? 85  ASN H ND2 1 
ATOM   613  N  N   . SER A 1 78  ? 10.059  25.736 75.987  1.00 8.77  ? 86  SER H N   1 
ATOM   614  C  CA  . SER A 1 78  ? 9.603   26.805 76.865  1.00 8.33  ? 86  SER H CA  1 
ATOM   615  C  C   . SER A 1 78  ? 8.398   26.401 77.717  1.00 7.83  ? 86  SER H C   1 
ATOM   616  O  O   . SER A 1 78  ? 7.519   25.642 77.304  1.00 7.99  ? 86  SER H O   1 
ATOM   617  C  CB  . SER A 1 78  ? 9.298   28.080 76.110  1.00 9.30  ? 86  SER H CB  1 
ATOM   618  O  OG  . SER A 1 78  ? 10.482  28.579 75.517  1.00 10.22 ? 86  SER H OG  1 
ATOM   619  N  N   . LEU A 1 79  ? 8.398   26.960 78.938  1.00 7.51  ? 87  LEU H N   1 
ATOM   620  C  CA  . LEU A 1 79  ? 7.310   26.810 79.897  1.00 6.97  ? 87  LEU H CA  1 
ATOM   621  C  C   . LEU A 1 79  ? 6.667   28.163 80.151  1.00 6.32  ? 87  LEU H C   1 
ATOM   622  O  O   . LEU A 1 79  ? 7.365   29.180 80.150  1.00 7.92  ? 87  LEU H O   1 
ATOM   623  C  CB  . LEU A 1 79  ? 7.902   26.279 81.213  1.00 7.08  ? 87  LEU H CB  1 
ATOM   624  C  CG  . LEU A 1 79  ? 6.905   25.937 82.345  1.00 7.55  ? 87  LEU H CG  1 
ATOM   625  C  CD1 . LEU A 1 79  ? 6.091   24.684 82.025  1.00 7.85  ? 87  LEU H CD1 1 
ATOM   626  C  CD2 . LEU A 1 79  ? 7.619   25.775 83.703  1.00 8.57  ? 87  LEU H CD2 1 
ATOM   627  N  N   . TYR A 1 80  ? 5.348   28.151 80.425  1.00 6.49  ? 88  TYR H N   1 
ATOM   628  C  CA  . TYR A 1 80  ? 4.598   29.382 80.600  1.00 5.93  ? 88  TYR H CA  1 
ATOM   629  C  C   . TYR A 1 80  ? 3.689   29.273 81.832  1.00 5.97  ? 88  TYR H C   1 
ATOM   630  O  O   . TYR A 1 80  ? 3.214   28.172 82.179  1.00 6.71  ? 88  TYR H O   1 
ATOM   631  C  CB  . TYR A 1 80  ? 3.740   29.694 79.356  1.00 6.44  ? 88  TYR H CB  1 
ATOM   632  C  CG  . TYR A 1 80  ? 4.572   29.768 78.111  1.00 6.74  ? 88  TYR H CG  1 
ATOM   633  C  CD1 . TYR A 1 80  ? 5.165   30.942 77.680  1.00 7.08  ? 88  TYR H CD1 1 
ATOM   634  C  CD2 . TYR A 1 80  ? 4.802   28.632 77.349  1.00 6.61  ? 88  TYR H CD2 1 
ATOM   635  C  CE1 . TYR A 1 80  ? 5.946   30.973 76.541  1.00 7.81  ? 88  TYR H CE1 1 
ATOM   636  C  CE2 . TYR A 1 80  ? 5.587   28.650 76.198  1.00 7.35  ? 88  TYR H CE2 1 
ATOM   637  C  CZ  . TYR A 1 80  ? 6.141   29.826 75.787  1.00 7.46  ? 88  TYR H CZ  1 
ATOM   638  O  OH  . TYR A 1 80  ? 6.896   29.844 74.628  1.00 9.59  ? 88  TYR H OH  1 
ATOM   639  N  N   . LEU A 1 81  ? 3.406   30.437 82.422  1.00 6.19  ? 89  LEU H N   1 
ATOM   640  C  CA  . LEU A 1 81  ? 2.359   30.575 83.429  1.00 6.46  ? 89  LEU H CA  1 
ATOM   641  C  C   . LEU A 1 81  ? 1.557   31.817 83.082  1.00 6.57  ? 89  LEU H C   1 
ATOM   642  O  O   . LEU A 1 81  ? 2.082   32.921 83.102  1.00 7.75  ? 89  LEU H O   1 
ATOM   643  C  CB  . LEU A 1 81  ? 2.948   30.684 84.842  1.00 7.17  ? 89  LEU H CB  1 
ATOM   644  C  CG  . LEU A 1 81  ? 1.922   30.601 85.965  1.00 7.57  ? 89  LEU H CG  1 
ATOM   645  C  CD1 . LEU A 1 81  ? 1.247   29.257 86.040  1.00 8.15  ? 89  LEU H CD1 1 
ATOM   646  C  CD2 . LEU A 1 81  ? 2.578   31.012 87.280  1.00 8.47  ? 89  LEU H CD2 1 
ATOM   647  N  N   . GLN A 1 82  ? 0.274   31.598 82.782  1.00 6.52  ? 90  GLN H N   1 
ATOM   648  C  CA  . GLN A 1 82  ? -0.665  32.672 82.500  1.00 6.90  ? 90  GLN H CA  1 
ATOM   649  C  C   . GLN A 1 82  ? -1.427  32.954 83.798  1.00 6.68  ? 90  GLN H C   1 
ATOM   650  O  O   . GLN A 1 82  ? -2.098  32.065 84.290  1.00 7.83  ? 90  GLN H O   1 
ATOM   651  C  CB  . GLN A 1 82  ? -1.604  32.273 81.340  1.00 7.58  ? 90  GLN H CB  1 
ATOM   652  C  CG  . GLN A 1 82  ? -2.638  33.330 81.010  1.00 8.16  ? 90  GLN H CG  1 
ATOM   653  C  CD  . GLN A 1 82  ? -1.997  34.675 80.789  1.00 7.89  ? 90  GLN H CD  1 
ATOM   654  O  OE1 . GLN A 1 82  ? -1.057  34.805 79.989  1.00 8.02  ? 90  GLN H OE1 1 
ATOM   655  N  NE2 . GLN A 1 82  ? -2.405  35.670 81.553  1.00 8.67  ? 90  GLN H NE2 1 
ATOM   656  N  N   . MET A 1 83  ? -1.305  34.172 84.296  1.00 7.25  ? 91  MET H N   1 
ATOM   657  C  CA  . MET A 1 83  ? -1.755  34.504 85.642  1.00 7.94  ? 91  MET H CA  1 
ATOM   658  C  C   . MET A 1 83  ? -2.820  35.589 85.508  1.00 8.23  ? 91  MET H C   1 
ATOM   659  O  O   . MET A 1 83  ? -2.533  36.658 84.974  1.00 9.35  ? 91  MET H O   1 
ATOM   660  C  CB  A MET A 1 83  ? -0.576  35.053 86.482  0.50 8.64  ? 91  MET H CB  1 
ATOM   661  C  CB  B MET A 1 83  ? -0.564  34.980 86.479  0.50 9.32  ? 91  MET H CB  1 
ATOM   662  C  CG  A MET A 1 83  ? 0.665   34.220 86.502  0.50 8.51  ? 91  MET H CG  1 
ATOM   663  C  CG  B MET A 1 83  ? 0.272   33.869 86.915  0.50 11.38 ? 91  MET H CG  1 
ATOM   664  S  SD  A MET A 1 83  ? 2.134   35.045 87.202  0.50 7.30  ? 91  MET H SD  1 
ATOM   665  S  SD  B MET A 1 83  ? 1.482   34.475 88.133  0.50 15.38 ? 91  MET H SD  1 
ATOM   666  C  CE  A MET A 1 83  ? 1.612   35.579 88.836  0.50 7.05  ? 91  MET H CE  1 
ATOM   667  C  CE  B MET A 1 83  ? 2.187   35.869 87.261  0.50 12.14 ? 91  MET H CE  1 
ATOM   668  N  N   . ASN A 1 84  ? -4.030  35.342 86.043  1.00 7.21  ? 92  ASN H N   1 
ATOM   669  C  CA  . ASN A 1 84  ? -5.129  36.293 85.936  1.00 7.93  ? 92  ASN H CA  1 
ATOM   670  C  C   . ASN A 1 84  ? -5.717  36.626 87.323  1.00 7.79  ? 92  ASN H C   1 
ATOM   671  O  O   . ASN A 1 84  ? -5.486  35.926 88.303  1.00 8.44  ? 92  ASN H O   1 
ATOM   672  C  CB  . ASN A 1 84  ? -6.190  35.773 84.957  1.00 8.87  ? 92  ASN H CB  1 
ATOM   673  C  CG  . ASN A 1 84  ? -5.685  35.869 83.510  1.00 10.92 ? 92  ASN H CG  1 
ATOM   674  O  OD1 . ASN A 1 84  ? -4.899  35.061 83.106  1.00 12.20 ? 92  ASN H OD1 1 
ATOM   675  N  ND2 . ASN A 1 84  ? -6.087  36.887 82.763  1.00 13.27 ? 92  ASN H ND2 1 
ATOM   676  N  N   . SER A 1 85  ? -6.481  37.702 87.360  1.00 7.64  ? 93  SER H N   1 
ATOM   677  C  CA  . SER A 1 85  ? -7.156  38.159 88.565  1.00 6.84  ? 93  SER H CA  1 
ATOM   678  C  C   . SER A 1 85  ? -6.176  38.343 89.697  1.00 7.59  ? 93  SER H C   1 
ATOM   679  O  O   . SER A 1 85  ? -6.391  37.847 90.797  1.00 8.33  ? 93  SER H O   1 
ATOM   680  C  CB  . SER A 1 85  ? -8.327  37.275 88.912  1.00 7.88  ? 93  SER H CB  1 
ATOM   681  O  OG  . SER A 1 85  ? -9.296  37.232 87.859  1.00 9.67  ? 93  SER H OG  1 
ATOM   682  N  N   . LEU A 1 86  ? -5.082  39.048 89.436  1.00 7.23  ? 94  LEU H N   1 
ATOM   683  C  CA  . LEU A 1 86  ? -3.979  39.076 90.385  1.00 8.12  ? 94  LEU H CA  1 
ATOM   684  C  C   . LEU A 1 86  ? -4.372  39.899 91.631  1.00 8.68  ? 94  LEU H C   1 
ATOM   685  O  O   . LEU A 1 86  ? -5.096  40.883 91.583  1.00 10.28 ? 94  LEU H O   1 
ATOM   686  C  CB  . LEU A 1 86  ? -2.699  39.579 89.711  1.00 8.57  ? 94  LEU H CB  1 
ATOM   687  C  CG  . LEU A 1 86  ? -2.093  38.539 88.760  1.00 9.56  ? 94  LEU H CG  1 
ATOM   688  C  CD1 . LEU A 1 86  ? -0.994  39.143 87.883  1.00 10.64 ? 94  LEU H CD1 1 
ATOM   689  C  CD2 . LEU A 1 86  ? -1.557  37.362 89.545  1.00 12.52 ? 94  LEU H CD2 1 
ATOM   690  N  N   . ARG A 1 87  ? -3.810  39.463 92.760  1.00 9.78  ? 95  ARG H N   1 
ATOM   691  C  CA  . ARG A 1 87  ? -4.049  40.086 94.054  1.00 11.55 ? 95  ARG H CA  1 
ATOM   692  C  C   . ARG A 1 87  ? -2.723  40.302 94.750  1.00 10.53 ? 95  ARG H C   1 
ATOM   693  O  O   . ARG A 1 87  ? -1.739  39.644 94.428  1.00 10.53 ? 95  ARG H O   1 
ATOM   694  C  CB  . ARG A 1 87  ? -4.931  39.148 94.883  1.00 13.53 ? 95  ARG H CB  1 
ATOM   695  C  CG  . ARG A 1 87  ? -6.298  38.970 94.282  1.00 15.56 ? 95  ARG H CG  1 
ATOM   696  C  CD  . ARG A 1 87  ? -7.117  38.040 95.089  1.00 17.35 ? 95  ARG H CD  1 
ATOM   697  N  NE  . ARG A 1 87  ? -7.399  38.628 96.364  1.00 18.07 ? 95  ARG H NE  1 
ATOM   698  C  CZ  . ARG A 1 87  ? -8.109  37.995 97.254  1.00 17.90 ? 95  ARG H CZ  1 
ATOM   699  N  NH1 . ARG A 1 87  ? -8.684  36.840 96.953  1.00 20.10 ? 95  ARG H NH1 1 
ATOM   700  N  NH2 . ARG A 1 87  ? -8.290  38.551 98.403  1.00 20.50 ? 95  ARG H NH2 1 
ATOM   701  N  N   . ALA A 1 88  ? -2.752  41.087 95.821  1.00 13.03 ? 96  ALA H N   1 
ATOM   702  C  CA  . ALA A 1 88  ? -1.539  41.299 96.622  1.00 14.47 ? 96  ALA H CA  1 
ATOM   703  C  C   . ALA A 1 88  ? -0.942  39.975 97.129  1.00 13.79 ? 96  ALA H C   1 
ATOM   704  O  O   . ALA A 1 88  ? 0.283   39.837 97.179  1.00 16.04 ? 96  ALA H O   1 
ATOM   705  C  CB  . ALA A 1 88  ? -1.841  42.241 97.739  1.00 17.07 ? 96  ALA H CB  1 
ATOM   706  N  N   . GLU A 1 89  ? -1.801  38.996 97.437  1.00 15.71 ? 97  GLU H N   1 
ATOM   707  C  CA  . GLU A 1 89  ? -1.387  37.668 97.879  1.00 18.93 ? 97  GLU H CA  1 
ATOM   708  C  C   . GLU A 1 89  ? -0.493  36.939 96.883  1.00 15.44 ? 97  GLU H C   1 
ATOM   709  O  O   . GLU A 1 89  ? 0.185   35.971 97.216  1.00 20.11 ? 97  GLU H O   1 
ATOM   710  C  CB  . GLU A 1 89  ? -2.615  36.775 98.213  1.00 22.39 ? 97  GLU H CB  1 
ATOM   711  C  CG  . GLU A 1 89  ? -3.320  36.088 97.024  1.00 27.34 ? 97  GLU H CG  1 
ATOM   712  C  CD  . GLU A 1 89  ? -4.607  35.329 97.398  1.00 30.79 ? 97  GLU H CD  1 
ATOM   713  O  OE1 . GLU A 1 89  ? -5.530  35.990 97.965  1.00 32.35 ? 97  GLU H OE1 1 
ATOM   714  O  OE2 . GLU A 1 89  ? -4.723  34.044 97.114  1.00 27.08 ? 97  GLU H OE2 1 
ATOM   715  N  N   . ASP A 1 90  ? -0.525  37.387 95.618  1.00 11.73 ? 98  ASP H N   1 
ATOM   716  C  CA  . ASP A 1 90  ? 0.253   36.778 94.555  1.00 10.65 ? 98  ASP H CA  1 
ATOM   717  C  C   . ASP A 1 90  ? 1.620   37.425 94.356  1.00 9.85  ? 98  ASP H C   1 
ATOM   718  O  O   . ASP A 1 90  ? 2.434   36.906 93.572  1.00 10.28 ? 98  ASP H O   1 
ATOM   719  C  CB  . ASP A 1 90  ? -0.506  36.896 93.242  1.00 10.13 ? 98  ASP H CB  1 
ATOM   720  C  CG  . ASP A 1 90  ? -1.835  36.169 93.246  1.00 10.44 ? 98  ASP H CG  1 
ATOM   721  O  OD1 . ASP A 1 90  ? -1.879  34.995 93.711  1.00 11.68 ? 98  ASP H OD1 1 
ATOM   722  O  OD2 . ASP A 1 90  ? -2.822  36.764 92.757  1.00 10.87 ? 98  ASP H OD2 1 
ATOM   723  N  N   . THR A 1 91  ? 1.914   38.529 95.056  1.00 9.26  ? 99  THR H N   1 
ATOM   724  C  CA  . THR A 1 91  ? 3.216   39.140 94.989  1.00 9.09  ? 99  THR H CA  1 
ATOM   725  C  C   . THR A 1 91  ? 4.264   38.153 95.464  1.00 9.70  ? 99  THR H C   1 
ATOM   726  O  O   . THR A 1 91  ? 4.174   37.625 96.580  1.00 11.24 ? 99  THR H O   1 
ATOM   727  C  CB  . THR A 1 91  ? 3.247   40.431 95.815  1.00 10.07 ? 99  THR H CB  1 
ATOM   728  O  OG1 . THR A 1 91  ? 2.400   41.406 95.187  1.00 9.84  ? 99  THR H OG1 1 
ATOM   729  C  CG2 . THR A 1 91  ? 4.643   40.975 95.985  1.00 9.90  ? 99  THR H CG2 1 
ATOM   730  N  N   . ALA A 1 92  ? 5.285   37.929 94.658  1.00 9.40  ? 100 ALA H N   1 
ATOM   731  C  CA  . ALA A 1 92  ? 6.263   36.877 94.908  1.00 9.36  ? 100 ALA H CA  1 
ATOM   732  C  C   . ALA A 1 92  ? 7.293   36.850 93.789  1.00 9.14  ? 100 ALA H C   1 
ATOM   733  O  O   . ALA A 1 92  ? 7.008   37.351 92.685  1.00 8.98  ? 100 ALA H O   1 
ATOM   734  C  CB  . ALA A 1 92  ? 5.603   35.512 94.993  1.00 9.90  ? 100 ALA H CB  1 
ATOM   735  N  N   . VAL A 1 93  ? 8.430   36.220 94.032  1.00 9.27  ? 101 VAL H N   1 
ATOM   736  C  CA  . VAL A 1 93  ? 9.310   35.778 92.960  1.00 9.44  ? 101 VAL H CA  1 
ATOM   737  C  C   . VAL A 1 93  ? 8.786   34.445 92.483  1.00 8.60  ? 101 VAL H C   1 
ATOM   738  O  O   . VAL A 1 93  ? 8.517   33.559 93.282  1.00 9.53  ? 101 VAL H O   1 
ATOM   739  C  CB  . VAL A 1 93  ? 10.771  35.643 93.420  1.00 10.31 ? 101 VAL H CB  1 
ATOM   740  C  CG1 . VAL A 1 93  ? 11.648  35.060 92.306  1.00 11.68 ? 101 VAL H CG1 1 
ATOM   741  C  CG2 . VAL A 1 93  ? 11.291  36.986 93.884  1.00 11.05 ? 101 VAL H CG2 1 
ATOM   742  N  N   . TYR A 1 94  ? 8.633   34.319 91.158  1.00 8.79  ? 102 TYR H N   1 
ATOM   743  C  CA  . TYR A 1 94  ? 8.160   33.099 90.521  1.00 8.37  ? 102 TYR H CA  1 
ATOM   744  C  C   . TYR A 1 94  ? 9.338   32.443 89.791  1.00 8.17  ? 102 TYR H C   1 
ATOM   745  O  O   . TYR A 1 94  ? 10.045  33.126 89.013  1.00 9.60  ? 102 TYR H O   1 
ATOM   746  C  CB  . TYR A 1 94  ? 7.030   33.418 89.531  1.00 8.22  ? 102 TYR H CB  1 
ATOM   747  C  CG  . TYR A 1 94  ? 5.737   33.764 90.195  1.00 7.57  ? 102 TYR H CG  1 
ATOM   748  C  CD1 . TYR A 1 94  ? 5.580   34.982 90.835  1.00 7.83  ? 102 TYR H CD1 1 
ATOM   749  C  CD2 . TYR A 1 94  ? 4.669   32.888 90.217  1.00 8.26  ? 102 TYR H CD2 1 
ATOM   750  C  CE1 . TYR A 1 94  ? 4.398   35.280 91.521  1.00 8.12  ? 102 TYR H CE1 1 
ATOM   751  C  CE2 . TYR A 1 94  ? 3.485   33.167 90.882  1.00 8.70  ? 102 TYR H CE2 1 
ATOM   752  C  CZ  . TYR A 1 94  ? 3.356   34.374 91.558  1.00 7.92  ? 102 TYR H CZ  1 
ATOM   753  O  OH  . TYR A 1 94  ? 2.195   34.646 92.241  1.00 9.63  ? 102 TYR H OH  1 
ATOM   754  N  N   . TYR A 1 95  ? 9.506   31.143 90.049  1.00 7.74  ? 103 TYR H N   1 
ATOM   755  C  CA  . TYR A 1 95  ? 10.566  30.307 89.496  1.00 7.42  ? 103 TYR H CA  1 
ATOM   756  C  C   . TYR A 1 95  ? 9.944   29.200 88.662  1.00 7.76  ? 103 TYR H C   1 
ATOM   757  O  O   . TYR A 1 95  ? 8.995   28.543 89.092  1.00 8.37  ? 103 TYR H O   1 
ATOM   758  C  CB  . TYR A 1 95  ? 11.359  29.607 90.599  1.00 8.18  ? 103 TYR H CB  1 
ATOM   759  C  CG  . TYR A 1 95  ? 12.074  30.543 91.537  1.00 9.34  ? 103 TYR H CG  1 
ATOM   760  C  CD1 . TYR A 1 95  ? 13.265  31.157 91.194  1.00 10.80 ? 103 TYR H CD1 1 
ATOM   761  C  CD2 . TYR A 1 95  ? 11.571  30.771 92.798  1.00 10.35 ? 103 TYR H CD2 1 
ATOM   762  C  CE1 . TYR A 1 95  ? 13.931  32.024 92.038  1.00 11.42 ? 103 TYR H CE1 1 
ATOM   763  C  CE2 . TYR A 1 95  ? 12.257  31.600 93.688  1.00 11.69 ? 103 TYR H CE2 1 
ATOM   764  C  CZ  . TYR A 1 95  ? 13.448  32.204 93.318  1.00 11.40 ? 103 TYR H CZ  1 
ATOM   765  O  OH  . TYR A 1 95  ? 14.142  33.062 94.167  1.00 15.11 ? 103 TYR H OH  1 
ATOM   766  N  N   . CYS A 1 96  ? 10.503  28.977 87.453  1.00 7.79  ? 104 CYS H N   1 
ATOM   767  C  CA  . CYS A 1 96  ? 10.270  27.711 86.789  1.00 7.86  ? 104 CYS H CA  1 
ATOM   768  C  C   . CYS A 1 96  ? 11.243  26.674 87.368  1.00 8.12  ? 104 CYS H C   1 
ATOM   769  O  O   . CYS A 1 96  ? 12.407  26.997 87.665  1.00 9.29  ? 104 CYS H O   1 
ATOM   770  C  CB  . CYS A 1 96  ? 10.357  27.884 85.287  1.00 9.25  ? 104 CYS H CB  1 
ATOM   771  S  SG  . CYS A 1 96  ? 11.901  28.624 84.716  1.00 12.23 ? 104 CYS H SG  1 
ATOM   772  N  N   . ALA A 1 97  ? 10.733  25.455 87.548  1.00 7.55  ? 105 ALA H N   1 
ATOM   773  C  CA  . ALA A 1 97  ? 11.454  24.423 88.288  1.00 8.45  ? 105 ALA H CA  1 
ATOM   774  C  C   . ALA A 1 97  ? 11.259  23.076 87.605  1.00 8.16  ? 105 ALA H C   1 
ATOM   775  O  O   . ALA A 1 97  ? 10.138  22.632 87.412  1.00 11.30 ? 105 ALA H O   1 
ATOM   776  C  CB  . ALA A 1 97  ? 10.949  24.378 89.708  1.00 9.09  ? 105 ALA H CB  1 
ATOM   777  N  N   . THR A 1 98  ? 12.365  22.438 87.284  1.00 7.48  ? 106 THR H N   1 
ATOM   778  C  CA  . THR A 1 98  ? 12.324  21.140 86.622  1.00 7.28  ? 106 THR H CA  1 
ATOM   779  C  C   . THR A 1 98  ? 12.048  20.039 87.648  1.00 7.56  ? 106 THR H C   1 
ATOM   780  O  O   . THR A 1 98  ? 12.511  20.106 88.786  1.00 8.14  ? 106 THR H O   1 
ATOM   781  C  CB  . THR A 1 98  ? 13.640  20.850 85.894  1.00 7.60  ? 106 THR H CB  1 
ATOM   782  O  OG1 . THR A 1 98  ? 14.004  21.986 85.106  1.00 7.94  ? 106 THR H OG1 1 
ATOM   783  C  CG2 . THR A 1 98  ? 13.579  19.584 85.045  1.00 7.89  ? 106 THR H CG2 1 
ATOM   784  N  N   . ASP A 1 99  ? 11.351  18.977 87.256  1.00 7.91  ? 107 ASP H N   1 
ATOM   785  C  CA  A ASP A 1 99  ? 11.260  17.730 88.011  0.50 8.41  ? 107 ASP H CA  1 
ATOM   786  C  CA  B ASP A 1 99  ? 11.246  17.766 88.066  0.50 8.39  ? 107 ASP H CA  1 
ATOM   787  C  C   . ASP A 1 99  ? 12.625  17.426 88.594  1.00 7.83  ? 107 ASP H C   1 
ATOM   788  O  O   . ASP A 1 99  ? 13.606  17.361 87.853  1.00 7.92  ? 107 ASP H O   1 
ATOM   789  C  CB  A ASP A 1 99  ? 10.859  16.619 87.038  0.50 10.48 ? 107 ASP H CB  1 
ATOM   790  C  CB  B ASP A 1 99  ? 10.729  16.596 87.236  0.50 10.01 ? 107 ASP H CB  1 
ATOM   791  C  CG  A ASP A 1 99  ? 10.932  15.180 87.528  0.50 12.18 ? 107 ASP H CG  1 
ATOM   792  C  CG  B ASP A 1 99  ? 10.427  15.315 87.999  0.50 11.80 ? 107 ASP H CG  1 
ATOM   793  O  OD1 A ASP A 1 99  ? 11.007  14.976 88.765  0.50 11.45 ? 107 ASP H OD1 1 
ATOM   794  O  OD1 B ASP A 1 99  ? 11.327  14.785 88.661  0.50 10.80 ? 107 ASP H OD1 1 
ATOM   795  O  OD2 A ASP A 1 99  ? 10.828  14.251 86.651  0.50 17.26 ? 107 ASP H OD2 1 
ATOM   796  O  OD2 B ASP A 1 99  ? 9.334   14.792 87.806  0.50 15.77 ? 107 ASP H OD2 1 
ATOM   797  N  N   . PRO A 1 100 ? 12.757  17.230 89.931  1.00 7.76  ? 108 PRO H N   1 
ATOM   798  C  CA  . PRO A 1 100 ? 14.061  16.916 90.519  1.00 7.66  ? 108 PRO H CA  1 
ATOM   799  C  C   . PRO A 1 100 ? 14.778  15.708 89.972  1.00 7.75  ? 108 PRO H C   1 
ATOM   800  O  O   . PRO A 1 100 ? 15.986  15.611 90.077  1.00 8.50  ? 108 PRO H O   1 
ATOM   801  C  CB  . PRO A 1 100 ? 13.784  16.736 92.024  1.00 9.40  ? 108 PRO H CB  1 
ATOM   802  C  CG  . PRO A 1 100 ? 12.559  17.474 92.244  1.00 9.77  ? 108 PRO H CG  1 
ATOM   803  C  CD  . PRO A 1 100 ? 11.725  17.394 90.992  1.00 8.54  ? 108 PRO H CD  1 
ATOM   804  N  N   . ASP A 1 101 ? 14.025  14.785 89.355  1.00 8.22  ? 109 ASP H N   1 
ATOM   805  C  CA  . ASP A 1 101 ? 14.665  13.615 88.761  1.00 8.99  ? 109 ASP H CA  1 
ATOM   806  C  C   . ASP A 1 101 ? 15.605  13.977 87.599  1.00 8.59  ? 109 ASP H C   1 
ATOM   807  O  O   . ASP A 1 101 ? 16.387  13.118 87.206  1.00 10.06 ? 109 ASP H O   1 
ATOM   808  C  CB  A ASP A 1 101 ? 13.626  12.577 88.376  0.50 10.00 ? 109 ASP H CB  1 
ATOM   809  C  CB  B ASP A 1 101 ? 13.667  12.516 88.380  0.50 11.74 ? 109 ASP H CB  1 
ATOM   810  C  CG  A ASP A 1 101 ? 13.054  11.852 89.592  0.50 11.07 ? 109 ASP H CG  1 
ATOM   811  C  CG  B ASP A 1 101 ? 12.679  12.767 87.259  0.50 15.46 ? 109 ASP H CG  1 
ATOM   812  O  OD1 A ASP A 1 101 ? 13.657  11.917 90.754  0.50 12.52 ? 109 ASP H OD1 1 
ATOM   813  O  OD1 B ASP A 1 101 ? 12.726  13.875 86.657  0.50 17.98 ? 109 ASP H OD1 1 
ATOM   814  O  OD2 A ASP A 1 101 ? 12.022  11.203 89.382  0.50 14.11 ? 109 ASP H OD2 1 
ATOM   815  O  OD2 B ASP A 1 101 ? 11.822  11.826 86.997  0.50 21.98 ? 109 ASP H OD2 1 
ATOM   816  N  N   . VAL A 1 102 ? 15.572  15.226 87.101  1.00 7.82  ? 110 VAL H N   1 
ATOM   817  C  CA  . VAL A 1 102 ? 16.597  15.658 86.176  1.00 7.90  ? 110 VAL H CA  1 
ATOM   818  C  C   . VAL A 1 102 ? 17.999  15.566 86.745  1.00 7.77  ? 110 VAL H C   1 
ATOM   819  O  O   . VAL A 1 102 ? 19.001  15.376 86.053  1.00 8.80  ? 110 VAL H O   1 
ATOM   820  C  CB  . VAL A 1 102 ? 16.274  17.048 85.621  1.00 7.63  ? 110 VAL H CB  1 
ATOM   821  C  CG1 . VAL A 1 102 ? 16.520  18.167 86.610  1.00 8.18  ? 110 VAL H CG1 1 
ATOM   822  C  CG2 . VAL A 1 102 ? 17.016  17.322 84.321  1.00 9.84  ? 110 VAL H CG2 1 
ATOM   823  N  N   . GLY A 1 103 ? 18.107  15.713 88.072  1.00 7.68  ? 113 GLY H N   1 
ATOM   824  C  CA  . GLY A 1 103 ? 19.380  15.457 88.734  1.00 7.82  ? 113 GLY H CA  1 
ATOM   825  C  C   . GLY A 1 103 ? 20.447  16.525 88.547  1.00 8.17  ? 113 GLY H C   1 
ATOM   826  O  O   . GLY A 1 103 ? 21.627  16.250 88.762  1.00 9.04  ? 113 GLY H O   1 
ATOM   827  N  N   . LEU A 1 104 ? 20.032  17.726 88.116  1.00 7.90  ? 114 LEU H N   1 
ATOM   828  C  CA  . LEU A 1 104 ? 20.920  18.841 87.827  1.00 8.56  ? 114 LEU H CA  1 
ATOM   829  C  C   . LEU A 1 104 ? 20.685  19.909 88.889  1.00 7.66  ? 114 LEU H C   1 
ATOM   830  O  O   . LEU A 1 104 ? 19.545  20.261 89.148  1.00 7.91  ? 114 LEU H O   1 
ATOM   831  C  CB  . LEU A 1 104 ? 20.610  19.412 86.436  1.00 10.03 ? 114 LEU H CB  1 
ATOM   832  C  CG  . LEU A 1 104 ? 20.747  18.441 85.272  1.00 12.85 ? 114 LEU H CG  1 
ATOM   833  C  CD1 . LEU A 1 104 ? 20.359  19.112 83.968  1.00 14.74 ? 114 LEU H CD1 1 
ATOM   834  C  CD2 . LEU A 1 104 ? 22.160  17.894 85.202  1.00 15.48 ? 114 LEU H CD2 1 
ATOM   835  N  N   . SER A 1 105 ? 21.770  20.428 89.455  1.00 8.10  ? 115 SER H N   1 
ATOM   836  C  CA  . SER A 1 105 ? 21.598  21.418 90.512  1.00 8.03  ? 115 SER H CA  1 
ATOM   837  C  C   . SER A 1 105 ? 20.982  22.709 90.017  1.00 8.53  ? 115 SER H C   1 
ATOM   838  O  O   . SER A 1 105 ? 20.125  23.307 90.699  1.00 10.31 ? 115 SER H O   1 
ATOM   839  C  CB  A SER A 1 105 ? 22.886  21.655 91.269  0.70 8.18  ? 115 SER H CB  1 
ATOM   840  C  CB  B SER A 1 105 ? 22.904  21.677 91.202  0.30 8.64  ? 115 SER H CB  1 
ATOM   841  O  OG  A SER A 1 105 ? 23.966  21.979 90.435  0.70 9.58  ? 115 SER H OG  1 
ATOM   842  O  OG  B SER A 1 105 ? 22.691  22.482 92.345  0.30 9.93  ? 115 SER H OG  1 
ATOM   843  N  N   . ASP A 1 106 ? 21.378  23.127 88.801  1.00 9.58  ? 116 ASP H N   1 
ATOM   844  C  CA  . ASP A 1 106 ? 20.996  24.400 88.231  1.00 10.23 ? 116 ASP H CA  1 
ATOM   845  C  C   . ASP A 1 106 ? 19.751  24.243 87.345  1.00 10.16 ? 116 ASP H C   1 
ATOM   846  O  O   . ASP A 1 106 ? 19.702  24.730 86.198  1.00 13.72 ? 116 ASP H O   1 
ATOM   847  C  CB  A ASP A 1 106 ? 22.171  24.977 87.428  0.50 11.37 ? 116 ASP H CB  1 
ATOM   848  C  CB  B ASP A 1 106 ? 22.181  25.054 87.532  0.50 12.92 ? 116 ASP H CB  1 
ATOM   849  C  CG  A ASP A 1 106 ? 22.785  24.101 86.323  0.50 11.84 ? 116 ASP H CG  1 
ATOM   850  C  CG  B ASP A 1 106 ? 23.297  25.472 88.483  0.50 16.28 ? 116 ASP H CG  1 
ATOM   851  O  OD1 A ASP A 1 106 ? 22.493  22.893 86.261  0.50 12.25 ? 116 ASP H OD1 1 
ATOM   852  O  OD1 B ASP A 1 106 ? 23.030  25.679 89.681  0.50 20.95 ? 116 ASP H OD1 1 
ATOM   853  O  OD2 A ASP A 1 106 ? 23.555  24.662 85.458  0.50 14.53 ? 116 ASP H OD2 1 
ATOM   854  O  OD2 B ASP A 1 106 ? 24.447  25.539 88.032  0.50 23.58 ? 116 ASP H OD2 1 
ATOM   855  N  N   . SER A 1 107 ? 18.702  23.646 87.889  1.00 8.64  ? 117 SER H N   1 
ATOM   856  C  CA  . SER A 1 107 ? 17.535  23.223 87.130  1.00 8.62  ? 117 SER H CA  1 
ATOM   857  C  C   . SER A 1 107 ? 16.301  24.108 87.340  1.00 8.01  ? 117 SER H C   1 
ATOM   858  O  O   . SER A 1 107 ? 15.182  23.740 86.957  1.00 8.43  ? 117 SER H O   1 
ATOM   859  C  CB  . SER A 1 107 ? 17.208  21.786 87.440  1.00 10.45 ? 117 SER H CB  1 
ATOM   860  O  OG  . SER A 1 107 ? 17.125  21.552 88.837  1.00 11.26 ? 117 SER H OG  1 
ATOM   861  N  N   . TRP A 1 108 ? 16.499  25.277 87.949  1.00 7.99  ? 118 TRP H N   1 
ATOM   862  C  CA  . TRP A 1 108 ? 15.466  26.299 88.092  1.00 8.05  ? 118 TRP H CA  1 
ATOM   863  C  C   . TRP A 1 108 ? 15.874  27.569 87.348  1.00 9.09  ? 118 TRP H C   1 
ATOM   864  O  O   . TRP A 1 108 ? 17.079  27.866 87.217  1.00 10.73 ? 118 TRP H O   1 
ATOM   865  C  CB  . TRP A 1 108 ? 15.222  26.639 89.585  1.00 8.68  ? 118 TRP H CB  1 
ATOM   866  C  CG  . TRP A 1 108 ? 14.595  25.564 90.423  1.00 8.37  ? 118 TRP H CG  1 
ATOM   867  C  CD1 . TRP A 1 108 ? 14.702  24.205 90.312  1.00 8.45  ? 118 TRP H CD1 1 
ATOM   868  C  CD2 . TRP A 1 108 ? 13.762  25.805 91.569  1.00 7.72  ? 118 TRP H CD2 1 
ATOM   869  N  NE1 . TRP A 1 108 ? 13.992  23.586 91.309  1.00 9.12  ? 118 TRP H NE1 1 
ATOM   870  C  CE2 . TRP A 1 108 ? 13.400  24.551 92.082  1.00 8.42  ? 118 TRP H CE2 1 
ATOM   871  C  CE3 . TRP A 1 108 ? 13.249  26.961 92.161  1.00 8.26  ? 118 TRP H CE3 1 
ATOM   872  C  CZ2 . TRP A 1 108 ? 12.565  24.408 93.204  1.00 8.42  ? 118 TRP H CZ2 1 
ATOM   873  C  CZ3 . TRP A 1 108 ? 12.435  26.811 93.272  1.00 8.42  ? 118 TRP H CZ3 1 
ATOM   874  C  CH2 . TRP A 1 108 ? 12.094  25.561 93.764  1.00 8.53  ? 118 TRP H CH2 1 
ATOM   875  N  N   . GLY A 1 109 ? 14.851  28.348 86.953  1.00 8.04  ? 119 GLY H N   1 
ATOM   876  C  CA  . GLY A 1 109 ? 15.106  29.664 86.419  1.00 8.66  ? 119 GLY H CA  1 
ATOM   877  C  C   . GLY A 1 109 ? 15.583  30.704 87.427  1.00 9.86  ? 119 GLY H C   1 
ATOM   878  O  O   . GLY A 1 109 ? 15.513  30.464 88.637  1.00 11.09 ? 119 GLY H O   1 
ATOM   879  N  N   . GLN A 1 110 ? 15.998  31.869 86.943  1.00 9.09  ? 120 GLN H N   1 
ATOM   880  C  CA  . GLN A 1 110 ? 16.605  32.903 87.763  1.00 11.26 ? 120 GLN H CA  1 
ATOM   881  C  C   . GLN A 1 110 ? 15.565  33.626 88.610  1.00 11.84 ? 120 GLN H C   1 
ATOM   882  O  O   . GLN A 1 110 ? 15.943  34.391 89.505  1.00 16.78 ? 120 GLN H O   1 
ATOM   883  C  CB  . GLN A 1 110 ? 17.422  33.909 86.947  1.00 13.31 ? 120 GLN H CB  1 
ATOM   884  C  CG  . GLN A 1 110 ? 16.673  35.096 86.324  1.00 13.69 ? 120 GLN H CG  1 
ATOM   885  C  CD  . GLN A 1 110 ? 15.877  34.794 85.069  1.00 14.35 ? 120 GLN H CD  1 
ATOM   886  O  OE1 . GLN A 1 110 ? 15.622  33.659 84.688  1.00 12.69 ? 120 GLN H OE1 1 
ATOM   887  N  NE2 . GLN A 1 110 ? 15.456  35.850 84.401  1.00 16.71 ? 120 GLN H NE2 1 
ATOM   888  N  N   . GLY A 1 111 ? 14.294  33.395 88.381  1.00 11.08 ? 121 GLY H N   1 
ATOM   889  C  CA  . GLY A 1 111 ? 13.217  34.070 89.085  1.00 11.28 ? 121 GLY H CA  1 
ATOM   890  C  C   . GLY A 1 111 ? 12.779  35.349 88.383  1.00 12.64 ? 121 GLY H C   1 
ATOM   891  O  O   . GLY A 1 111 ? 13.595  36.043 87.789  1.00 17.17 ? 121 GLY H O   1 
ATOM   892  N  N   . THR A 1 112 ? 11.500  35.689 88.529  1.00 11.51 ? 122 THR H N   1 
ATOM   893  C  CA  . THR A 1 112 ? 10.979  36.978 88.138  1.00 13.65 ? 122 THR H CA  1 
ATOM   894  C  C   . THR A 1 112 ? 10.055  37.469 89.255  1.00 11.03 ? 122 THR H C   1 
ATOM   895  O  O   . THR A 1 112 ? 9.178   36.730 89.696  1.00 10.85 ? 122 THR H O   1 
ATOM   896  C  CB  . THR A 1 112 ? 10.356  36.944 86.728  1.00 15.75 ? 122 THR H CB  1 
ATOM   897  O  OG1 . THR A 1 112 ? 10.027  38.277 86.373  1.00 22.91 ? 122 THR H OG1 1 
ATOM   898  C  CG2 . THR A 1 112 ? 9.134   36.069 86.590  1.00 16.00 ? 122 THR H CG2 1 
ATOM   899  N  N   . LEU A 1 113 ? 10.290  38.711 89.709  1.00 13.26 ? 123 LEU H N   1 
ATOM   900  C  CA  . LEU A 1 113 ? 9.456   39.289 90.747  1.00 12.18 ? 123 LEU H CA  1 
ATOM   901  C  C   . LEU A 1 113 ? 8.183   39.827 90.124  1.00 10.34 ? 123 LEU H C   1 
ATOM   902  O  O   . LEU A 1 113 ? 8.223   40.663 89.222  1.00 11.64 ? 123 LEU H O   1 
ATOM   903  C  CB  . LEU A 1 113 ? 10.206  40.398 91.476  1.00 13.49 ? 123 LEU H CB  1 
ATOM   904  C  CG  . LEU A 1 113 ? 9.432   41.104 92.578  1.00 14.62 ? 123 LEU H CG  1 
ATOM   905  C  CD1 . LEU A 1 113 ? 9.151   40.158 93.730  1.00 14.37 ? 123 LEU H CD1 1 
ATOM   906  C  CD2 . LEU A 1 113 ? 10.183  42.336 93.059  1.00 15.40 ? 123 LEU H CD2 1 
ATOM   907  N  N   . VAL A 1 114 ? 7.060   39.365 90.663  1.00 9.22  ? 124 VAL H N   1 
ATOM   908  C  CA  . VAL A 1 114 ? 5.753   39.869 90.344  1.00 9.58  ? 124 VAL H CA  1 
ATOM   909  C  C   . VAL A 1 114 ? 5.296   40.717 91.523  1.00 8.75  ? 124 VAL H C   1 
ATOM   910  O  O   . VAL A 1 114 ? 5.195   40.188 92.636  1.00 9.06  ? 124 VAL H O   1 
ATOM   911  C  CB  . VAL A 1 114 ? 4.769   38.725 90.101  1.00 9.81  ? 124 VAL H CB  1 
ATOM   912  C  CG1 . VAL A 1 114 ? 3.336   39.257 89.997  1.00 10.31 ? 124 VAL H CG1 1 
ATOM   913  C  CG2 . VAL A 1 114 ? 5.183   37.959 88.860  1.00 9.84  ? 124 VAL H CG2 1 
ATOM   914  N  N   . THR A 1 115 ? 5.066   42.019 91.303  1.00 8.96  ? 125 THR H N   1 
ATOM   915  C  CA  . THR A 1 115 ? 4.613   42.931 92.319  1.00 9.11  ? 125 THR H CA  1 
ATOM   916  C  C   . THR A 1 115 ? 3.221   43.394 91.955  1.00 9.66  ? 125 THR H C   1 
ATOM   917  O  O   . THR A 1 115 ? 3.056   44.103 90.960  1.00 10.49 ? 125 THR H O   1 
ATOM   918  C  CB  . THR A 1 115 ? 5.548   44.127 92.458  1.00 10.39 ? 125 THR H CB  1 
ATOM   919  O  OG1 . THR A 1 115 ? 6.866   43.698 92.802  1.00 11.68 ? 125 THR H OG1 1 
ATOM   920  C  CG2 . THR A 1 115 ? 5.083   45.100 93.516  1.00 11.52 ? 125 THR H CG2 1 
ATOM   921  N  N   . VAL A 1 116 ? 2.228   43.033 92.766  1.00 10.03 ? 126 VAL H N   1 
ATOM   922  C  CA  . VAL A 1 116 ? 0.852   43.395 92.490  1.00 9.36  ? 126 VAL H CA  1 
ATOM   923  C  C   . VAL A 1 116 ? 0.522   44.663 93.268  1.00 11.41 ? 126 VAL H C   1 
ATOM   924  O  O   . VAL A 1 116 ? 0.350   44.595 94.486  1.00 14.09 ? 126 VAL H O   1 
ATOM   925  C  CB  . VAL A 1 116 ? -0.102  42.220 92.776  1.00 10.31 ? 126 VAL H CB  1 
ATOM   926  C  CG1 . VAL A 1 116 ? -1.504  42.582 92.366  1.00 11.08 ? 126 VAL H CG1 1 
ATOM   927  C  CG2 . VAL A 1 116 ? 0.326   40.927 92.088  1.00 10.54 ? 126 VAL H CG2 1 
ATOM   928  N  N   . SER A 1 117 ? 0.445   45.791 92.565  1.00 11.58 ? 127 SER H N   1 
ATOM   929  C  CA  . SER A 1 117 ? 0.354   47.126 93.154  1.00 12.68 ? 127 SER H CA  1 
ATOM   930  C  C   . SER A 1 117 ? -0.214  48.094 92.134  1.00 14.16 ? 127 SER H C   1 
ATOM   931  O  O   . SER A 1 117 ? 0.096   47.938 90.946  1.00 14.54 ? 127 SER H O   1 
ATOM   932  C  CB  . SER A 1 117 ? 1.688   47.613 93.598  1.00 14.92 ? 127 SER H CB  1 
ATOM   933  O  OG  . SER A 1 117 ? 1.645   48.983 93.971  1.00 17.01 ? 127 SER H OG  1 
ATOM   934  N  N   . SER A 1 118 ? -0.981  49.093 92.602  1.00 16.48 ? 128 SER H N   1 
ATOM   935  C  CA  . SER A 1 118 ? -1.501  50.159 91.752  1.00 19.02 ? 128 SER H CA  1 
ATOM   936  C  C   . SER A 1 118 ? -0.527  51.334 91.554  1.00 19.43 ? 128 SER H C   1 
ATOM   937  O  O   . SER A 1 118 ? -0.806  52.265 90.773  1.00 22.09 ? 128 SER H O   1 
ATOM   938  C  CB  . SER A 1 118 ? -2.833  50.645 92.282  1.00 22.86 ? 128 SER H CB  1 
ATOM   939  O  OG  . SER A 1 118 ? -2.648  51.220 93.569  1.00 30.72 ? 128 SER H OG  1 
ATOM   940  N  N   . ALA A 1 119 ? 0.652   51.272 92.165  1.00 17.01 ? 129 ALA H N   1 
ATOM   941  C  CA  . ALA A 1 119 ? 1.630   52.349 92.092  1.00 16.57 ? 129 ALA H CA  1 
ATOM   942  C  C   . ALA A 1 119 ? 2.376   52.347 90.761  1.00 17.00 ? 129 ALA H C   1 
ATOM   943  O  O   . ALA A 1 119 ? 2.423   51.343 90.073  1.00 18.33 ? 129 ALA H O   1 
ATOM   944  C  CB  . ALA A 1 119 ? 2.585   52.218 93.251  1.00 18.18 ? 129 ALA H CB  1 
ATOM   945  N  N   . SER A 1 120 ? 2.967   53.496 90.428  1.00 14.70 ? 130 SER H N   1 
ATOM   946  C  CA  . SER A 1 120 ? 3.792   53.646 89.224  1.00 15.34 ? 130 SER H CA  1 
ATOM   947  C  C   . SER A 1 120 ? 5.204   53.172 89.517  1.00 14.71 ? 130 SER H C   1 
ATOM   948  O  O   . SER A 1 120 ? 5.675   53.216 90.656  1.00 17.04 ? 130 SER H O   1 
ATOM   949  C  CB  . SER A 1 120 ? 3.852   55.101 88.748  1.00 15.78 ? 130 SER H CB  1 
ATOM   950  O  OG  . SER A 1 120 ? 2.643   55.507 88.096  1.00 17.71 ? 130 SER H OG  1 
ATOM   951  N  N   . THR A 1 121 ? 5.908   52.748 88.465  1.00 14.95 ? 131 THR H N   1 
ATOM   952  C  CA  . THR A 1 121 ? 7.340   52.636 88.519  1.00 13.39 ? 131 THR H CA  1 
ATOM   953  C  C   . THR A 1 121 ? 7.924   54.007 88.845  1.00 13.52 ? 131 THR H C   1 
ATOM   954  O  O   . THR A 1 121 ? 7.414   55.025 88.384  1.00 16.47 ? 131 THR H O   1 
ATOM   955  C  CB  . THR A 1 121 ? 7.940   52.022 87.243  1.00 16.56 ? 131 THR H CB  1 
ATOM   956  O  OG1 . THR A 1 121 ? 7.684   52.883 86.141  1.00 18.20 ? 131 THR H OG1 1 
ATOM   957  C  CG2 . THR A 1 121 ? 7.373   50.649 86.937  1.00 16.90 ? 131 THR H CG2 1 
ATOM   958  N  N   . LYS A 1 122 ? 9.011   53.997 89.611  1.00 13.86 ? 132 LYS H N   1 
ATOM   959  C  CA  . LYS A 1 122 ? 9.719   55.220 89.963  1.00 14.79 ? 132 LYS H CA  1 
ATOM   960  C  C   . LYS A 1 122 ? 11.191  54.865 90.076  1.00 14.62 ? 132 LYS H C   1 
ATOM   961  O  O   . LYS A 1 122 ? 11.571  53.982 90.841  1.00 13.76 ? 132 LYS H O   1 
ATOM   962  C  CB  . LYS A 1 122 ? 9.217   55.784 91.301  1.00 15.72 ? 132 LYS H CB  1 
ATOM   963  C  CG  . LYS A 1 122 ? 9.865   57.094 91.706  1.00 17.54 ? 132 LYS H CG  1 
ATOM   964  C  CD  . LYS A 1 122 ? 9.407   57.598 93.065  1.00 21.72 ? 132 LYS H CD  1 
ATOM   965  C  CE  . LYS A 1 122 ? 10.151  58.857 93.474  1.00 28.41 ? 132 LYS H CE  1 
ATOM   966  N  NZ  . LYS A 1 122 ? 9.532   59.541 94.628  1.00 40.26 ? 132 LYS H NZ  1 
ATOM   967  N  N   . GLY A 1 123 ? 12.028  55.609 89.363  1.00 13.99 ? 133 GLY H N   1 
ATOM   968  C  CA  . GLY A 1 123 ? 13.451  55.343 89.410  1.00 14.21 ? 133 GLY H CA  1 
ATOM   969  C  C   . GLY A 1 123 ? 14.100  55.986 90.631  1.00 14.65 ? 133 GLY H C   1 
ATOM   970  O  O   . GLY A 1 123 ? 13.592  56.954 91.202  1.00 15.82 ? 133 GLY H O   1 
ATOM   971  N  N   . PRO A 1 124 ? 15.262  55.465 91.025  1.00 14.66 ? 134 PRO H N   1 
ATOM   972  C  CA  . PRO A 1 124 ? 15.961  55.948 92.206  1.00 15.57 ? 134 PRO H CA  1 
ATOM   973  C  C   . PRO A 1 124 ? 16.695  57.268 92.006  1.00 16.12 ? 134 PRO H C   1 
ATOM   974  O  O   . PRO A 1 124 ? 17.113  57.609 90.899  1.00 17.87 ? 134 PRO H O   1 
ATOM   975  C  CB  . PRO A 1 124 ? 16.974  54.840 92.487  1.00 16.63 ? 134 PRO H CB  1 
ATOM   976  C  CG  . PRO A 1 124 ? 17.282  54.321 91.109  1.00 17.75 ? 134 PRO H CG  1 
ATOM   977  C  CD  . PRO A 1 124 ? 15.943  54.339 90.397  1.00 16.21 ? 134 PRO H CD  1 
ATOM   978  N  N   . SER A 1 125 ? 16.865  57.979 93.123  1.00 16.32 ? 135 SER H N   1 
ATOM   979  C  CA  . SER A 1 125 ? 17.837  59.026 93.287  1.00 18.10 ? 135 SER H CA  1 
ATOM   980  C  C   . SER A 1 125 ? 19.082  58.386 93.880  1.00 17.68 ? 135 SER H C   1 
ATOM   981  O  O   . SER A 1 125 ? 18.947  57.543 94.754  1.00 20.39 ? 135 SER H O   1 
ATOM   982  C  CB  . SER A 1 125 ? 17.272  60.075 94.213  1.00 23.28 ? 135 SER H CB  1 
ATOM   983  O  OG  . SER A 1 125 ? 16.087  60.636 93.645  1.00 29.93 ? 135 SER H OG  1 
ATOM   984  N  N   . VAL A 1 126 ? 20.264  58.696 93.355  1.00 17.54 ? 136 VAL H N   1 
ATOM   985  C  CA  . VAL A 1 126 ? 21.493  58.101 93.840  1.00 16.50 ? 136 VAL H CA  1 
ATOM   986  C  C   . VAL A 1 126 ? 22.380  59.197 94.419  1.00 17.50 ? 136 VAL H C   1 
ATOM   987  O  O   . VAL A 1 126 ? 22.764  60.157 93.743  1.00 21.18 ? 136 VAL H O   1 
ATOM   988  C  CB  . VAL A 1 126 ? 22.211  57.335 92.707  1.00 17.30 ? 136 VAL H CB  1 
ATOM   989  C  CG1 . VAL A 1 126 ? 23.470  56.648 93.236  1.00 17.91 ? 136 VAL H CG1 1 
ATOM   990  C  CG2 . VAL A 1 126 ? 21.307  56.309 92.063  1.00 19.25 ? 136 VAL H CG2 1 
ATOM   991  N  N   . PHE A 1 127 ? 22.682  59.047 95.704  1.00 16.40 ? 137 PHE H N   1 
ATOM   992  C  CA  . PHE A 1 127 ? 23.462  60.039 96.424  1.00 16.38 ? 137 PHE H CA  1 
ATOM   993  C  C   . PHE A 1 127 ? 24.783  59.437 96.911  1.00 16.79 ? 137 PHE H C   1 
ATOM   994  O  O   . PHE A 1 127 ? 24.849  58.281 97.310  1.00 16.70 ? 137 PHE H O   1 
ATOM   995  C  CB  . PHE A 1 127 ? 22.699  60.552 97.649  1.00 18.24 ? 137 PHE H CB  1 
ATOM   996  C  CG  . PHE A 1 127 ? 21.370  61.171 97.328  1.00 19.10 ? 137 PHE H CG  1 
ATOM   997  C  CD1 . PHE A 1 127 ? 21.300  62.247 96.477  1.00 19.65 ? 137 PHE H CD1 1 
ATOM   998  C  CD2 . PHE A 1 127 ? 20.186  60.584 97.764  1.00 18.11 ? 137 PHE H CD2 1 
ATOM   999  C  CE1 . PHE A 1 127 ? 20.078  62.823 96.191  1.00 19.91 ? 137 PHE H CE1 1 
ATOM   1000 C  CE2 . PHE A 1 127 ? 18.970  61.147 97.471  1.00 19.41 ? 137 PHE H CE2 1 
ATOM   1001 C  CZ  . PHE A 1 127 ? 18.916  62.259 96.658  1.00 19.50 ? 137 PHE H CZ  1 
ATOM   1002 N  N   . PRO A 1 128 ? 25.882  60.208 96.934  1.00 17.10 ? 138 PRO H N   1 
ATOM   1003 C  CA  . PRO A 1 128 ? 27.146  59.673 97.432  1.00 18.35 ? 138 PRO H CA  1 
ATOM   1004 C  C   . PRO A 1 128 ? 27.178  59.521 98.955  1.00 18.45 ? 138 PRO H C   1 
ATOM   1005 O  O   . PRO A 1 128 ? 26.583  60.320 99.670  1.00 18.38 ? 138 PRO H O   1 
ATOM   1006 C  CB  . PRO A 1 128 ? 28.170  60.725 96.977  1.00 20.23 ? 138 PRO H CB  1 
ATOM   1007 C  CG  . PRO A 1 128 ? 27.371  62.008 96.992  1.00 21.97 ? 138 PRO H CG  1 
ATOM   1008 C  CD  . PRO A 1 128 ? 25.970  61.621 96.560  1.00 19.39 ? 138 PRO H CD  1 
ATOM   1009 N  N   . LEU A 1 129 ? 27.887  58.489 99.413  1.00 16.72 ? 139 LEU H N   1 
ATOM   1010 C  CA  . LEU A 1 129 ? 28.248  58.300 100.814 1.00 16.60 ? 139 LEU H CA  1 
ATOM   1011 C  C   . LEU A 1 129 ? 29.754  58.470 100.915 1.00 18.44 ? 139 LEU H C   1 
ATOM   1012 O  O   . LEU A 1 129 ? 30.480  57.576 100.521 1.00 17.38 ? 139 LEU H O   1 
ATOM   1013 C  CB  . LEU A 1 129 ? 27.811  56.894 101.231 1.00 16.04 ? 139 LEU H CB  1 
ATOM   1014 C  CG  . LEU A 1 129 ? 26.299  56.655 101.342 1.00 17.01 ? 139 LEU H CG  1 
ATOM   1015 C  CD1 . LEU A 1 129 ? 26.002  55.188 101.543 1.00 17.74 ? 139 LEU H CD1 1 
ATOM   1016 C  CD2 . LEU A 1 129 ? 25.688  57.447 102.474 1.00 19.64 ? 139 LEU H CD2 1 
ATOM   1017 N  N   . ALA A 1 130 ? 30.202  59.643 101.377 1.00 23.30 ? 140 ALA H N   1 
ATOM   1018 C  CA  . ALA A 1 130 ? 31.623  59.898 101.623 1.00 27.17 ? 140 ALA H CA  1 
ATOM   1019 C  C   . ALA A 1 130 ? 31.827  60.351 103.069 1.00 24.13 ? 140 ALA H C   1 
ATOM   1020 O  O   . ALA A 1 130 ? 31.250  61.360 103.528 1.00 25.35 ? 140 ALA H O   1 
ATOM   1021 C  CB  . ALA A 1 130 ? 32.042  60.882 100.584 1.00 28.05 ? 140 ALA H CB  1 
ATOM   1022 N  N   . PRO A 1 131 ? 32.602  59.641 103.925 1.00 28.12 ? 141 PRO H N   1 
ATOM   1023 C  CA  . PRO A 1 131 ? 32.810  60.097 105.307 1.00 28.03 ? 141 PRO H CA  1 
ATOM   1024 C  C   . PRO A 1 131 ? 33.745  61.314 105.365 1.00 30.95 ? 141 PRO H C   1 
ATOM   1025 O  O   . PRO A 1 131 ? 34.659  61.492 104.529 1.00 32.74 ? 141 PRO H O   1 
ATOM   1026 C  CB  . PRO A 1 131 ? 33.455  58.889 106.018 1.00 28.71 ? 141 PRO H CB  1 
ATOM   1027 C  CG  . PRO A 1 131 ? 34.037  57.975 104.931 1.00 31.84 ? 141 PRO H CG  1 
ATOM   1028 C  CD  . PRO A 1 131 ? 33.327  58.379 103.647 1.00 31.05 ? 141 PRO H CD  1 
ATOM   1029 N  N   . SER A 1 132 ? 33.534  62.160 106.379 1.00 31.81 ? 142 SER H N   1 
ATOM   1030 C  CA  . SER A 1 132 ? 34.428  63.306 106.573 1.00 34.23 ? 142 SER H CA  1 
ATOM   1031 C  C   . SER A 1 132 ? 35.870  62.826 106.791 1.00 35.23 ? 142 SER H C   1 
ATOM   1032 O  O   . SER A 1 132 ? 36.116  61.720 107.295 1.00 36.51 ? 142 SER H O   1 
ATOM   1033 C  CB  . SER A 1 132 ? 33.956  64.212 107.701 1.00 35.62 ? 142 SER H CB  1 
ATOM   1034 O  OG  . SER A 1 132 ? 34.101  63.591 108.977 1.00 35.07 ? 142 SER H OG  1 
ATOM   1035 N  N   . SER A 1 133 ? 36.829  63.643 106.347 1.00 36.52 ? 143 SER H N   1 
ATOM   1036 C  CA  . SER A 1 133 ? 38.240  63.356 106.578 1.00 38.71 ? 143 SER H CA  1 
ATOM   1037 C  C   . SER A 1 133 ? 38.509  63.235 108.077 1.00 35.40 ? 143 SER H C   1 
ATOM   1038 O  O   . SER A 1 133 ? 39.255  62.354 108.529 1.00 30.91 ? 143 SER H O   1 
ATOM   1039 C  CB  . SER A 1 133 ? 39.097  64.420 105.953 1.00 38.64 ? 143 SER H CB  1 
ATOM   1040 O  OG  . SER A 1 133 ? 40.367  63.919 105.629 1.00 39.37 ? 143 SER H OG  1 
ATOM   1041 N  N   . LYS A 1 134 ? 37.857  64.121 108.848 1.00 30.85 ? 144 LYS H N   1 
ATOM   1042 C  CA  . LYS A 1 134 ? 38.042  64.165 110.295 1.00 34.04 ? 144 LYS H CA  1 
ATOM   1043 C  C   . LYS A 1 134 ? 37.523  62.884 110.946 1.00 33.25 ? 144 LYS H C   1 
ATOM   1044 O  O   . LYS A 1 134 ? 37.991  62.520 112.033 1.00 38.67 ? 144 LYS H O   1 
ATOM   1045 C  CB  . LYS A 1 134 ? 37.339  65.382 110.912 1.00 36.41 ? 144 LYS H CB  1 
ATOM   1046 C  CG  . LYS A 1 134 ? 38.057  66.712 110.740 1.00 42.24 ? 144 LYS H CG  1 
ATOM   1047 C  CD  . LYS A 1 134 ? 37.293  67.871 111.362 1.00 47.85 ? 144 LYS H CD  1 
ATOM   1048 C  CE  . LYS A 1 134 ? 38.000  69.206 111.261 1.00 54.53 ? 144 LYS H CE  1 
ATOM   1049 N  NZ  . LYS A 1 134 ? 39.222  69.236 112.099 1.00 58.52 ? 144 LYS H NZ  1 
ATOM   1050 N  N   . SER A 1 135 ? 36.560  62.218 110.301 1.00 36.29 ? 145 SER H N   1 
ATOM   1051 C  CA  . SER A 1 135 ? 35.944  61.021 110.879 1.00 33.69 ? 145 SER H CA  1 
ATOM   1052 C  C   . SER A 1 135 ? 36.546  59.721 110.319 1.00 39.78 ? 145 SER H C   1 
ATOM   1053 O  O   . SER A 1 135 ? 36.251  58.662 110.868 1.00 42.86 ? 145 SER H O   1 
ATOM   1054 C  CB  . SER A 1 135 ? 34.423  61.039 110.720 1.00 30.98 ? 145 SER H CB  1 
ATOM   1055 O  OG  . SER A 1 135 ? 34.054  60.465 109.473 1.00 28.89 ? 145 SER H OG  1 
ATOM   1056 N  N   . THR A 1 136 ? 37.381  59.812 109.267 1.00 32.34 ? 146 THR H N   1 
ATOM   1057 C  CA  . THR A 1 136 ? 38.153  58.710 108.690 1.00 33.39 ? 146 THR H CA  1 
ATOM   1058 C  C   . THR A 1 136 ? 39.449  58.545 109.512 1.00 32.90 ? 146 THR H C   1 
ATOM   1059 O  O   . THR A 1 136 ? 40.424  59.313 109.445 1.00 35.81 ? 146 THR H O   1 
ATOM   1060 C  CB  . THR A 1 136 ? 38.383  58.926 107.164 1.00 31.88 ? 146 THR H CB  1 
ATOM   1061 O  OG1 . THR A 1 136 ? 37.186  59.071 106.337 1.00 28.12 ? 146 THR H OG1 1 
ATOM   1062 C  CG2 . THR A 1 136 ? 39.195  57.789 106.560 1.00 31.61 ? 146 THR H CG2 1 
ATOM   1063 N  N   . SER A 1 137 ? 39.478  57.537 110.374 1.00 29.90 ? 147 SER H N   1 
ATOM   1064 C  CA  . SER A 1 137 ? 40.670  57.444 111.187 1.00 39.82 ? 147 SER H CA  1 
ATOM   1065 C  C   . SER A 1 137 ? 41.342  56.080 111.115 1.00 32.79 ? 147 SER H C   1 
ATOM   1066 O  O   . SER A 1 137 ? 41.544  55.526 112.168 1.00 41.46 ? 147 SER H O   1 
ATOM   1067 C  CB  . SER A 1 137 ? 40.369  57.856 112.613 1.00 42.93 ? 147 SER H CB  1 
ATOM   1068 O  OG  . SER A 1 137 ? 39.190  57.243 113.072 1.00 48.41 ? 147 SER H OG  1 
ATOM   1069 N  N   . GLY A 1 138 ? 41.766  55.590 109.930 1.00 38.23 ? 148 GLY H N   1 
ATOM   1070 C  CA  . GLY A 1 138 ? 42.793  54.541 109.898 1.00 37.11 ? 148 GLY H CA  1 
ATOM   1071 C  C   . GLY A 1 138 ? 42.789  53.536 108.731 1.00 41.30 ? 148 GLY H C   1 
ATOM   1072 O  O   . GLY A 1 138 ? 42.141  52.488 108.820 1.00 49.62 ? 148 GLY H O   1 
ATOM   1073 N  N   . GLY A 1 139 ? 43.517  53.824 107.645 1.00 43.27 ? 149 GLY H N   1 
ATOM   1074 C  CA  . GLY A 1 139 ? 44.013  52.822 106.702 1.00 44.49 ? 149 GLY H CA  1 
ATOM   1075 C  C   . GLY A 1 139 ? 42.951  52.265 105.747 1.00 40.57 ? 149 GLY H C   1 
ATOM   1076 O  O   . GLY A 1 139 ? 43.173  52.072 104.538 1.00 36.51 ? 149 GLY H O   1 
ATOM   1077 N  N   . THR A 1 140 ? 41.767  51.957 106.266 1.00 42.66 ? 150 THR H N   1 
ATOM   1078 C  CA  . THR A 1 140 ? 40.780  51.459 105.327 1.00 47.95 ? 150 THR H CA  1 
ATOM   1079 C  C   . THR A 1 140 ? 39.534  52.316 105.427 1.00 48.54 ? 150 THR H C   1 
ATOM   1080 O  O   . THR A 1 140 ? 38.978  52.513 106.509 1.00 57.07 ? 150 THR H O   1 
ATOM   1081 C  CB  . THR A 1 140 ? 40.676  49.941 105.448 1.00 49.44 ? 150 THR H CB  1 
ATOM   1082 O  OG1 . THR A 1 140 ? 40.465  49.613 106.818 1.00 52.91 ? 150 THR H OG1 1 
ATOM   1083 C  CG2 . THR A 1 140 ? 41.955  49.276 104.960 1.00 57.20 ? 150 THR H CG2 1 
ATOM   1084 N  N   . ALA A 1 141 ? 39.147  52.823 104.251 1.00 46.69 ? 151 ALA H N   1 
ATOM   1085 C  CA  . ALA A 1 141 ? 38.130  53.837 104.121 1.00 40.26 ? 151 ALA H CA  1 
ATOM   1086 C  C   . ALA A 1 141 ? 36.887  53.197 103.533 1.00 37.05 ? 151 ALA H C   1 
ATOM   1087 O  O   . ALA A 1 141 ? 36.946  52.293 102.695 1.00 41.92 ? 151 ALA H O   1 
ATOM   1088 C  CB  . ALA A 1 141 ? 38.636  54.983 103.268 1.00 44.07 ? 151 ALA H CB  1 
ATOM   1089 N  N   . ALA A 1 142 ? 35.755  53.679 103.997 1.00 22.86 ? 152 ALA H N   1 
ATOM   1090 C  CA  . ALA A 1 142 ? 34.472  53.241 103.470 1.00 20.87 ? 152 ALA H CA  1 
ATOM   1091 C  C   . ALA A 1 142 ? 33.916  54.378 102.623 1.00 19.42 ? 152 ALA H C   1 
ATOM   1092 O  O   . ALA A 1 142 ? 34.046  55.548 102.975 1.00 22.32 ? 152 ALA H O   1 
ATOM   1093 C  CB  . ALA A 1 142 ? 33.509  52.879 104.578 1.00 22.65 ? 152 ALA H CB  1 
ATOM   1094 N  N   . LEU A 1 143 ? 33.287  54.003 101.502 1.00 18.20 ? 153 LEU H N   1 
ATOM   1095 C  CA  . LEU A 1 143 ? 32.448  54.901 100.737 1.00 20.25 ? 153 LEU H CA  1 
ATOM   1096 C  C   . LEU A 1 143 ? 31.262  54.123 100.189 1.00 18.39 ? 153 LEU H C   1 
ATOM   1097 O  O   . LEU A 1 143 ? 31.169  52.900 100.350 1.00 19.45 ? 153 LEU H O   1 
ATOM   1098 C  CB  . LEU A 1 143 ? 33.272  55.552 99.625  1.00 22.42 ? 153 LEU H CB  1 
ATOM   1099 C  CG  . LEU A 1 143 ? 34.001  54.623 98.668  1.00 28.85 ? 153 LEU H CG  1 
ATOM   1100 C  CD1 . LEU A 1 143 ? 33.202  54.430 97.396  1.00 30.99 ? 153 LEU H CD1 1 
ATOM   1101 C  CD2 . LEU A 1 143 ? 35.380  55.168 98.338  1.00 32.91 ? 153 LEU H CD2 1 
ATOM   1102 N  N   . GLY A 1 144 ? 30.299  54.847 99.628  1.00 16.57 ? 154 GLY H N   1 
ATOM   1103 C  CA  . GLY A 1 144 ? 29.134  54.156 99.133  1.00 15.99 ? 154 GLY H CA  1 
ATOM   1104 C  C   . GLY A 1 144 ? 28.212  55.033 98.299  1.00 15.57 ? 154 GLY H C   1 
ATOM   1105 O  O   . GLY A 1 144 ? 28.498  56.192 98.006  1.00 16.43 ? 154 GLY H O   1 
ATOM   1106 N  N   . CYS A 1 145 ? 27.063  54.440 97.986  1.00 15.66 ? 155 CYS H N   1 
ATOM   1107 C  CA  . CYS A 1 145 ? 25.973  55.136 97.335  1.00 15.57 ? 155 CYS H CA  1 
ATOM   1108 C  C   . CYS A 1 145 ? 24.688  54.780 98.062  1.00 13.67 ? 155 CYS H C   1 
ATOM   1109 O  O   . CYS A 1 145 ? 24.432  53.615 98.388  1.00 15.08 ? 155 CYS H O   1 
ATOM   1110 C  CB  . CYS A 1 145 ? 25.824  54.768 95.856  1.00 17.59 ? 155 CYS H CB  1 
ATOM   1111 S  SG  . CYS A 1 145 ? 27.135  55.507 94.862  1.00 21.27 ? 155 CYS H SG  1 
ATOM   1112 N  N   . LEU A 1 146 ? 23.870  55.802 98.246  1.00 14.22 ? 156 LEU H N   1 
ATOM   1113 C  CA  . LEU A 1 146 ? 22.533  55.642 98.759  1.00 14.10 ? 156 LEU H CA  1 
ATOM   1114 C  C   . LEU A 1 146 ? 21.580  55.720 97.570  1.00 12.80 ? 156 LEU H C   1 
ATOM   1115 O  O   . LEU A 1 146 ? 21.538  56.721 96.825  1.00 15.61 ? 156 LEU H O   1 
ATOM   1116 C  CB  . LEU A 1 146 ? 22.272  56.746 99.776  1.00 15.42 ? 156 LEU H CB  1 
ATOM   1117 C  CG  . LEU A 1 146 ? 20.843  56.854 100.304 1.00 16.23 ? 156 LEU H CG  1 
ATOM   1118 C  CD1 . LEU A 1 146 ? 20.463  55.609 101.078 1.00 18.43 ? 156 LEU H CD1 1 
ATOM   1119 C  CD2 . LEU A 1 146 ? 20.733  58.083 101.205 1.00 17.21 ? 156 LEU H CD2 1 
ATOM   1120 N  N   . VAL A 1 147 ? 20.821  54.640 97.414  1.00 12.93 ? 157 VAL H N   1 
ATOM   1121 C  CA  . VAL A 1 147 ? 19.917  54.439 96.293  1.00 13.37 ? 157 VAL H CA  1 
ATOM   1122 C  C   . VAL A 1 147 ? 18.507  54.558 96.847  1.00 13.26 ? 157 VAL H C   1 
ATOM   1123 O  O   . VAL A 1 147 ? 18.003  53.601 97.400  1.00 14.06 ? 157 VAL H O   1 
ATOM   1124 C  CB  . VAL A 1 147 ? 20.170  53.086 95.617  1.00 13.20 ? 157 VAL H CB  1 
ATOM   1125 C  CG1 . VAL A 1 147 ? 19.286  52.935 94.374  1.00 13.88 ? 157 VAL H CG1 1 
ATOM   1126 C  CG2 . VAL A 1 147 ? 21.629  52.962 95.251  1.00 15.24 ? 157 VAL H CG2 1 
ATOM   1127 N  N   . LYS A 1 148 ? 17.916  55.738 96.707  1.00 14.45 ? 158 LYS H N   1 
ATOM   1128 C  CA  . LYS A 1 148 ? 16.736  56.122 97.454  1.00 15.14 ? 158 LYS H CA  1 
ATOM   1129 C  C   . LYS A 1 148 ? 15.504  56.354 96.588  1.00 14.72 ? 158 LYS H C   1 
ATOM   1130 O  O   . LYS A 1 148 ? 15.563  56.930 95.508  1.00 16.77 ? 158 LYS H O   1 
ATOM   1131 C  CB  . LYS A 1 148 ? 17.002  57.394 98.264  1.00 17.86 ? 158 LYS H CB  1 
ATOM   1132 C  CG  . LYS A 1 148 ? 15.991  57.651 99.381  1.00 20.83 ? 158 LYS H CG  1 
ATOM   1133 C  CD  . LYS A 1 148 ? 16.353  58.720 100.360 1.00 22.46 ? 158 LYS H CD  1 
ATOM   1134 C  CE  . LYS A 1 148 ? 15.267  58.926 101.405 1.00 23.81 ? 158 LYS H CE  1 
ATOM   1135 N  NZ  . LYS A 1 148 ? 14.144  59.728 100.890 1.00 30.96 ? 158 LYS H NZ  1 
ATOM   1136 N  N   . ASP A 1 149 ? 14.361  55.907 97.089  1.00 14.70 ? 159 ASP H N   1 
ATOM   1137 C  CA  . ASP A 1 149 ? 13.054  56.308 96.602  1.00 15.87 ? 159 ASP H CA  1 
ATOM   1138 C  C   . ASP A 1 149 ? 12.731  55.693 95.247  1.00 16.04 ? 159 ASP H C   1 
ATOM   1139 O  O   . ASP A 1 149 ? 12.448  56.414 94.301  1.00 17.39 ? 159 ASP H O   1 
ATOM   1140 C  CB  . ASP A 1 149 ? 12.892  57.830 96.622  1.00 15.96 ? 159 ASP H CB  1 
ATOM   1141 C  CG  . ASP A 1 149 ? 12.793  58.426 98.011  1.00 18.74 ? 159 ASP H CG  1 
ATOM   1142 O  OD1 . ASP A 1 149 ? 12.546  57.676 98.974  1.00 21.71 ? 159 ASP H OD1 1 
ATOM   1143 O  OD2 . ASP A 1 149 ? 13.006  59.629 98.116  1.00 22.77 ? 159 ASP H OD2 1 
ATOM   1144 N  N   . TYR A 1 150 ? 12.786  54.360 95.153  1.00 13.69 ? 160 TYR H N   1 
ATOM   1145 C  CA  . TYR A 1 150 ? 12.454  53.692 93.900  1.00 12.94 ? 160 TYR H CA  1 
ATOM   1146 C  C   . TYR A 1 150 ? 11.347  52.678 94.147  1.00 12.95 ? 160 TYR H C   1 
ATOM   1147 O  O   . TYR A 1 150 ? 11.108  52.238 95.295  1.00 14.46 ? 160 TYR H O   1 
ATOM   1148 C  CB  . TYR A 1 150 ? 13.682  53.011 93.275  1.00 13.81 ? 160 TYR H CB  1 
ATOM   1149 C  CG  . TYR A 1 150 ? 14.302  51.908 94.089  1.00 12.88 ? 160 TYR H CG  1 
ATOM   1150 C  CD1 . TYR A 1 150 ? 15.260  52.158 95.055  1.00 12.88 ? 160 TYR H CD1 1 
ATOM   1151 C  CD2 . TYR A 1 150 ? 13.911  50.595 93.924  1.00 13.01 ? 160 TYR H CD2 1 
ATOM   1152 C  CE1 . TYR A 1 150 ? 15.835  51.130 95.789  1.00 12.86 ? 160 TYR H CE1 1 
ATOM   1153 C  CE2 . TYR A 1 150 ? 14.437  49.558 94.657  1.00 13.39 ? 160 TYR H CE2 1 
ATOM   1154 C  CZ  . TYR A 1 150 ? 15.412  49.820 95.613  1.00 13.32 ? 160 TYR H CZ  1 
ATOM   1155 O  OH  . TYR A 1 150 ? 15.969  48.812 96.357  1.00 15.24 ? 160 TYR H OH  1 
ATOM   1156 N  N   . PHE A 1 151 ? 10.728  52.240 93.048  1.00 12.08 ? 161 PHE H N   1 
ATOM   1157 C  CA  . PHE A 1 151 ? 9.674   51.247 93.122  1.00 12.94 ? 161 PHE H CA  1 
ATOM   1158 C  C   . PHE A 1 151 ? 9.425   50.684 91.733  1.00 12.38 ? 161 PHE H C   1 
ATOM   1159 O  O   . PHE A 1 151 ? 9.496   51.447 90.745  1.00 13.93 ? 161 PHE H O   1 
ATOM   1160 C  CB  . PHE A 1 151 ? 8.355   51.862 93.608  1.00 13.82 ? 161 PHE H CB  1 
ATOM   1161 C  CG  . PHE A 1 151 ? 7.281   50.850 93.898  1.00 14.16 ? 161 PHE H CG  1 
ATOM   1162 C  CD1 . PHE A 1 151 ? 7.277   50.168 95.106  1.00 16.20 ? 161 PHE H CD1 1 
ATOM   1163 C  CD2 . PHE A 1 151 ? 6.288   50.560 92.974  1.00 13.74 ? 161 PHE H CD2 1 
ATOM   1164 C  CE1 . PHE A 1 151 ? 6.307   49.216 95.377  1.00 15.36 ? 161 PHE H CE1 1 
ATOM   1165 C  CE2 . PHE A 1 151 ? 5.340   49.591 93.254  1.00 14.60 ? 161 PHE H CE2 1 
ATOM   1166 C  CZ  . PHE A 1 151 ? 5.350   48.928 94.446  1.00 15.86 ? 161 PHE H CZ  1 
ATOM   1167 N  N   . PRO A 1 152 ? 9.110   49.386 91.562  1.00 12.36 ? 162 PRO H N   1 
ATOM   1168 C  CA  . PRO A 1 152 ? 9.251   48.331 92.564  1.00 13.05 ? 162 PRO H CA  1 
ATOM   1169 C  C   . PRO A 1 152 ? 10.707  47.919 92.694  1.00 13.33 ? 162 PRO H C   1 
ATOM   1170 O  O   . PRO A 1 152 ? 11.592  48.495 92.079  1.00 13.73 ? 162 PRO H O   1 
ATOM   1171 C  CB  . PRO A 1 152 ? 8.390   47.223 91.936  1.00 13.58 ? 162 PRO H CB  1 
ATOM   1172 C  CG  . PRO A 1 152 ? 8.681   47.358 90.476  1.00 14.59 ? 162 PRO H CG  1 
ATOM   1173 C  CD  . PRO A 1 152 ? 8.673   48.852 90.265  1.00 13.11 ? 162 PRO H CD  1 
ATOM   1174 N  N   . GLU A 1 153 ? 10.956  46.882 93.496  1.00 12.23 ? 163 GLU H N   1 
ATOM   1175 C  CA  . GLU A 1 153 ? 12.209  46.162 93.428  1.00 14.10 ? 163 GLU H CA  1 
ATOM   1176 C  C   . GLU A 1 153 ? 12.319  45.510 92.060  1.00 14.38 ? 163 GLU H C   1 
ATOM   1177 O  O   . GLU A 1 153 ? 11.297  45.323 91.398  1.00 14.83 ? 163 GLU H O   1 
ATOM   1178 C  CB  . GLU A 1 153 ? 12.235  45.087 94.524  1.00 15.92 ? 163 GLU H CB  1 
ATOM   1179 C  CG  . GLU A 1 153 ? 12.280  45.685 95.924  1.00 18.48 ? 163 GLU H CG  1 
ATOM   1180 C  CD  . GLU A 1 153 ? 12.793  44.826 97.039  1.00 28.66 ? 163 GLU H CD  1 
ATOM   1181 O  OE1 . GLU A 1 153 ? 14.047  44.824 97.287  1.00 32.50 ? 163 GLU H OE1 1 
ATOM   1182 O  OE2 . GLU A 1 153 ? 11.927  44.175 97.637  1.00 39.23 ? 163 GLU H OE2 1 
ATOM   1183 N  N   . PRO A 1 154 ? 13.505  45.058 91.613  1.00 14.76 ? 164 PRO H N   1 
ATOM   1184 C  CA  . PRO A 1 154 ? 14.786  45.282 92.267  1.00 16.77 ? 164 PRO H CA  1 
ATOM   1185 C  C   . PRO A 1 154 ? 15.651  46.359 91.615  1.00 16.36 ? 164 PRO H C   1 
ATOM   1186 O  O   . PRO A 1 154 ? 15.316  46.905 90.560  1.00 17.08 ? 164 PRO H O   1 
ATOM   1187 C  CB  . PRO A 1 154 ? 15.445  43.920 91.981  1.00 17.11 ? 164 PRO H CB  1 
ATOM   1188 C  CG  . PRO A 1 154 ? 15.011  43.607 90.552  1.00 18.51 ? 164 PRO H CG  1 
ATOM   1189 C  CD  . PRO A 1 154 ? 13.610  44.155 90.445  1.00 16.92 ? 164 PRO H CD  1 
ATOM   1190 N  N   . VAL A 1 155 ? 16.753  46.695 92.283  1.00 16.83 ? 165 VAL H N   1 
ATOM   1191 C  CA  . VAL A 1 155 ? 17.831  47.443 91.666  1.00 18.37 ? 165 VAL H CA  1 
ATOM   1192 C  C   . VAL A 1 155 ? 19.079  46.568 91.739  1.00 19.43 ? 165 VAL H C   1 
ATOM   1193 O  O   . VAL A 1 155 ? 19.197  45.684 92.591  1.00 23.79 ? 165 VAL H O   1 
ATOM   1194 C  CB  . VAL A 1 155 ? 18.133  48.786 92.351  1.00 23.16 ? 165 VAL H CB  1 
ATOM   1195 C  CG1 . VAL A 1 155 ? 17.064  49.822 92.246  1.00 23.86 ? 165 VAL H CG1 1 
ATOM   1196 C  CG2 . VAL A 1 155 ? 18.511  48.618 93.803  1.00 22.28 ? 165 VAL H CG2 1 
ATOM   1197 N  N   . THR A 1 156 ? 20.011  46.847 90.842  1.00 21.37 ? 166 THR H N   1 
ATOM   1198 C  CA  . THR A 1 156 ? 21.322  46.242 90.893  1.00 22.28 ? 166 THR H CA  1 
ATOM   1199 C  C   . THR A 1 156 ? 22.341  47.357 91.098  1.00 20.31 ? 166 THR H C   1 
ATOM   1200 O  O   . THR A 1 156 ? 22.175  48.467 90.604  1.00 22.93 ? 166 THR H O   1 
ATOM   1201 C  CB  . THR A 1 156 ? 21.653  45.437 89.628  1.00 26.15 ? 166 THR H CB  1 
ATOM   1202 O  OG1 . THR A 1 156 ? 21.704  46.314 88.506  1.00 28.19 ? 166 THR H OG1 1 
ATOM   1203 C  CG2 . THR A 1 156 ? 20.696  44.305 89.345  1.00 30.12 ? 166 THR H CG2 1 
ATOM   1204 N  N   . VAL A 1 157 ? 23.364  47.058 91.894  1.00 20.56 ? 167 VAL H N   1 
ATOM   1205 C  CA  . VAL A 1 157 ? 24.468  47.973 92.079  1.00 20.69 ? 167 VAL H CA  1 
ATOM   1206 C  C   . VAL A 1 157 ? 25.763  47.228 91.793  1.00 20.27 ? 167 VAL H C   1 
ATOM   1207 O  O   . VAL A 1 157 ? 26.005  46.137 92.311  1.00 24.22 ? 167 VAL H O   1 
ATOM   1208 C  CB  . VAL A 1 157 ? 24.503  48.601 93.483  1.00 20.68 ? 167 VAL H CB  1 
ATOM   1209 C  CG1 . VAL A 1 157 ? 25.604  49.621 93.601  1.00 20.40 ? 167 VAL H CG1 1 
ATOM   1210 C  CG2 . VAL A 1 157 ? 23.170  49.218 93.839  1.00 20.15 ? 167 VAL H CG2 1 
ATOM   1211 N  N   . SER A 1 158 ? 26.601  47.859 90.982  1.00 22.55 ? 168 SER H N   1 
ATOM   1212 C  CA  . SER A 1 158 ? 27.975  47.406 90.822  1.00 23.37 ? 168 SER H CA  1 
ATOM   1213 C  C   . SER A 1 158 ? 28.897  48.576 91.140  1.00 21.93 ? 168 SER H C   1 
ATOM   1214 O  O   . SER A 1 158 ? 28.422  49.696 91.318  1.00 22.21 ? 168 SER H O   1 
ATOM   1215 C  CB  . SER A 1 158 ? 28.218  46.849 89.427  1.00 25.66 ? 168 SER H CB  1 
ATOM   1216 O  OG  . SER A 1 158 ? 28.029  47.848 88.440  1.00 26.85 ? 168 SER H OG  1 
ATOM   1217 N  N   . TRP A 1 159 ? 30.183  48.272 91.286  1.00 23.13 ? 169 TRP H N   1 
ATOM   1218 C  CA  . TRP A 1 159 ? 31.224  49.267 91.478  1.00 22.83 ? 169 TRP H CA  1 
ATOM   1219 C  C   . TRP A 1 159 ? 32.248  49.150 90.360  1.00 24.45 ? 169 TRP H C   1 
ATOM   1220 O  O   . TRP A 1 159 ? 32.701  48.045 90.042  1.00 25.12 ? 169 TRP H O   1 
ATOM   1221 C  CB  . TRP A 1 159 ? 31.851  49.131 92.879  1.00 21.08 ? 169 TRP H CB  1 
ATOM   1222 C  CG  . TRP A 1 159 ? 30.913  49.582 93.942  1.00 18.20 ? 169 TRP H CG  1 
ATOM   1223 C  CD1 . TRP A 1 159 ? 29.950  48.857 94.593  1.00 18.12 ? 169 TRP H CD1 1 
ATOM   1224 C  CD2 . TRP A 1 159 ? 30.798  50.922 94.426  1.00 19.11 ? 169 TRP H CD2 1 
ATOM   1225 N  NE1 . TRP A 1 159 ? 29.273  49.666 95.477  1.00 16.65 ? 169 TRP H NE1 1 
ATOM   1226 C  CE2 . TRP A 1 159 ? 29.774  50.932 95.388  1.00 17.81 ? 169 TRP H CE2 1 
ATOM   1227 C  CE3 . TRP A 1 159 ? 31.511  52.098 94.206  1.00 20.02 ? 169 TRP H CE3 1 
ATOM   1228 C  CZ2 . TRP A 1 159 ? 29.408  52.083 96.085  1.00 17.49 ? 169 TRP H CZ2 1 
ATOM   1229 C  CZ3 . TRP A 1 159 ? 31.140  53.242 94.886  1.00 20.91 ? 169 TRP H CZ3 1 
ATOM   1230 C  CH2 . TRP A 1 159 ? 30.089  53.243 95.795  1.00 19.74 ? 169 TRP H CH2 1 
ATOM   1231 N  N   . ASN A 1 160 ? 32.616  50.314 89.809  1.00 26.18 ? 170 ASN H N   1 
ATOM   1232 C  CA  . ASN A 1 160 ? 33.631  50.404 88.760  1.00 28.09 ? 170 ASN H CA  1 
ATOM   1233 C  C   . ASN A 1 160 ? 33.334  49.381 87.658  1.00 30.44 ? 170 ASN H C   1 
ATOM   1234 O  O   . ASN A 1 160 ? 34.231  48.681 87.159  1.00 31.87 ? 170 ASN H O   1 
ATOM   1235 C  CB  . ASN A 1 160 ? 35.041  50.287 89.354  1.00 27.84 ? 170 ASN H CB  1 
ATOM   1236 C  CG  . ASN A 1 160 ? 35.375  51.443 90.280  1.00 26.78 ? 170 ASN H CG  1 
ATOM   1237 O  OD1 . ASN A 1 160 ? 34.623  52.421 90.345  1.00 31.90 ? 170 ASN H OD1 1 
ATOM   1238 N  ND2 . ASN A 1 160 ? 36.502  51.364 90.987  1.00 29.34 ? 170 ASN H ND2 1 
ATOM   1239 N  N   . SER A 1 161 ? 32.050  49.308 87.285  1.00 31.60 ? 171 SER H N   1 
ATOM   1240 C  CA  . SER A 1 161 ? 31.587  48.478 86.178  1.00 31.64 ? 171 SER H CA  1 
ATOM   1241 C  C   . SER A 1 161 ? 31.882  46.997 86.402  1.00 30.49 ? 171 SER H C   1 
ATOM   1242 O  O   . SER A 1 161 ? 32.051  46.253 85.433  1.00 35.21 ? 171 SER H O   1 
ATOM   1243 C  CB  . SER A 1 161 ? 32.153  48.952 84.864  1.00 32.88 ? 171 SER H CB  1 
ATOM   1244 O  OG  . SER A 1 161 ? 31.815  50.313 84.646  1.00 34.64 ? 171 SER H OG  1 
ATOM   1245 N  N   . GLY A 1 162 ? 31.839  46.563 87.674  1.00 31.98 ? 172 GLY H N   1 
ATOM   1246 C  CA  . GLY A 1 162 ? 32.065  45.171 88.036  1.00 33.90 ? 172 GLY H CA  1 
ATOM   1247 C  C   . GLY A 1 162 ? 33.527  44.839 88.339  1.00 36.71 ? 172 GLY H C   1 
ATOM   1248 O  O   . GLY A 1 162 ? 33.810  43.707 88.726  1.00 36.94 ? 172 GLY H O   1 
ATOM   1249 N  N   . ALA A 1 163 ? 34.438  45.820 88.192  1.00 36.60 ? 173 ALA H N   1 
ATOM   1250 C  CA  . ALA A 1 163 ? 35.858  45.629 88.466  1.00 36.61 ? 173 ALA H CA  1 
ATOM   1251 C  C   . ALA A 1 163 ? 36.121  45.500 89.963  1.00 35.02 ? 173 ALA H C   1 
ATOM   1252 O  O   . ALA A 1 163 ? 37.093  44.854 90.372  1.00 38.93 ? 173 ALA H O   1 
ATOM   1253 C  CB  . ALA A 1 163 ? 36.661  46.762 87.865  1.00 36.39 ? 173 ALA H CB  1 
ATOM   1254 N  N   . LEU A 1 164 ? 35.292  46.171 90.768  1.00 29.10 ? 174 LEU H N   1 
ATOM   1255 C  CA  . LEU A 1 164 ? 35.459  46.210 92.215  1.00 27.65 ? 174 LEU H CA  1 
ATOM   1256 C  C   . LEU A 1 164 ? 34.364  45.379 92.863  1.00 25.88 ? 174 LEU H C   1 
ATOM   1257 O  O   . LEU A 1 164 ? 33.193  45.737 92.775  1.00 24.18 ? 174 LEU H O   1 
ATOM   1258 C  CB  . LEU A 1 164 ? 35.413  47.668 92.675  1.00 28.69 ? 174 LEU H CB  1 
ATOM   1259 C  CG  . LEU A 1 164 ? 35.596  47.874 94.183  1.00 28.38 ? 174 LEU H CG  1 
ATOM   1260 C  CD1 . LEU A 1 164 ? 36.956  47.364 94.632  1.00 30.72 ? 174 LEU H CD1 1 
ATOM   1261 C  CD2 . LEU A 1 164 ? 35.428  49.337 94.532  1.00 28.93 ? 174 LEU H CD2 1 
ATOM   1262 N  N   . THR A 1 165 ? 34.774  44.261 93.473  1.00 27.99 ? 175 THR H N   1 
ATOM   1263 C  CA  . THR A 1 165 ? 33.851  43.349 94.131  1.00 28.64 ? 175 THR H CA  1 
ATOM   1264 C  C   . THR A 1 165 ? 34.290  43.058 95.564  1.00 26.16 ? 175 THR H C   1 
ATOM   1265 O  O   . THR A 1 165 ? 33.434  42.857 96.442  1.00 24.18 ? 175 THR H O   1 
ATOM   1266 C  CB  . THR A 1 165 ? 33.716  42.057 93.324  1.00 30.86 ? 175 THR H CB  1 
ATOM   1267 O  OG1 . THR A 1 165 ? 35.029  41.526 93.144  1.00 33.33 ? 175 THR H OG1 1 
ATOM   1268 C  CG2 . THR A 1 165 ? 33.037  42.277 91.990  1.00 32.99 ? 175 THR H CG2 1 
ATOM   1269 N  N   . SER A 1 166 ? 35.609  42.993 95.811  1.00 27.54 ? 176 SER H N   1 
ATOM   1270 C  CA  . SER A 1 166 ? 36.080  42.755 97.173  1.00 28.28 ? 176 SER H CA  1 
ATOM   1271 C  C   . SER A 1 166 ? 35.668  43.919 98.074  1.00 24.07 ? 176 SER H C   1 
ATOM   1272 O  O   . SER A 1 166 ? 35.856  45.091 97.744  1.00 24.23 ? 176 SER H O   1 
ATOM   1273 C  CB  . SER A 1 166 ? 37.557  42.532 97.233  1.00 35.31 ? 176 SER H CB  1 
ATOM   1274 O  OG  . SER A 1 166 ? 38.239  43.744 96.979  1.00 47.75 ? 176 SER H OG  1 
ATOM   1275 N  N   . GLY A 1 167 ? 35.100  43.582 99.241  1.00 22.91 ? 177 GLY H N   1 
ATOM   1276 C  CA  . GLY A 1 167 ? 34.746  44.567 100.241 1.00 20.48 ? 177 GLY H CA  1 
ATOM   1277 C  C   . GLY A 1 167 ? 33.406  45.245 99.999  1.00 18.60 ? 177 GLY H C   1 
ATOM   1278 O  O   . GLY A 1 167 ? 33.019  46.129 100.750 1.00 21.78 ? 177 GLY H O   1 
ATOM   1279 N  N   . VAL A 1 168 ? 32.679  44.851 98.944  1.00 17.30 ? 178 VAL H N   1 
ATOM   1280 C  CA  . VAL A 1 168 ? 31.383  45.447 98.640  1.00 16.66 ? 178 VAL H CA  1 
ATOM   1281 C  C   . VAL A 1 168 ? 30.305  44.816 99.513  1.00 16.37 ? 178 VAL H C   1 
ATOM   1282 O  O   . VAL A 1 168 ? 30.213  43.582 99.606  1.00 17.86 ? 178 VAL H O   1 
ATOM   1283 C  CB  . VAL A 1 168 ? 31.020  45.297 97.141  1.00 17.36 ? 178 VAL H CB  1 
ATOM   1284 C  CG1 . VAL A 1 168 ? 29.614  45.787 96.851  1.00 19.34 ? 178 VAL H CG1 1 
ATOM   1285 C  CG2 . VAL A 1 168 ? 32.004  46.015 96.239  1.00 18.28 ? 178 VAL H CG2 1 
ATOM   1286 N  N   . HIS A 1 169 ? 29.432  45.671 100.062 1.00 15.29 ? 179 HIS H N   1 
ATOM   1287 C  CA  . HIS A 1 169 ? 28.250  45.216 100.783 1.00 14.08 ? 179 HIS H CA  1 
ATOM   1288 C  C   . HIS A 1 169 ? 27.058  46.007 100.273 1.00 14.80 ? 179 HIS H C   1 
ATOM   1289 O  O   . HIS A 1 169 ? 26.943  47.207 100.511 1.00 16.31 ? 179 HIS H O   1 
ATOM   1290 C  CB  . HIS A 1 169 ? 28.350  45.397 102.309 1.00 16.16 ? 179 HIS H CB  1 
ATOM   1291 C  CG  . HIS A 1 169 ? 29.392  44.574 102.953 1.00 19.01 ? 179 HIS H CG  1 
ATOM   1292 N  ND1 . HIS A 1 169 ? 29.402  43.185 102.935 1.00 19.06 ? 179 HIS H ND1 1 
ATOM   1293 C  CD2 . HIS A 1 169 ? 30.469  44.981 103.644 1.00 19.39 ? 179 HIS H CD2 1 
ATOM   1294 C  CE1 . HIS A 1 169 ? 30.471  42.776 103.617 1.00 21.57 ? 179 HIS H CE1 1 
ATOM   1295 N  NE2 . HIS A 1 169 ? 31.124  43.850 104.059 1.00 22.38 ? 179 HIS H NE2 1 
ATOM   1296 N  N   . THR A 1 170 ? 26.213  45.346 99.489  1.00 16.48 ? 180 THR H N   1 
ATOM   1297 C  CA  . THR A 1 170 ? 24.971  45.932 99.024  1.00 15.43 ? 180 THR H CA  1 
ATOM   1298 C  C   . THR A 1 170 ? 23.860  45.391 99.917  1.00 14.46 ? 180 THR H C   1 
ATOM   1299 O  O   . THR A 1 170 ? 23.578  44.202 99.948  1.00 17.12 ? 180 THR H O   1 
ATOM   1300 C  CB  . THR A 1 170 ? 24.760  45.669 97.525  1.00 16.89 ? 180 THR H CB  1 
ATOM   1301 O  OG1 . THR A 1 170 ? 25.854  46.276 96.826  1.00 18.62 ? 180 THR H OG1 1 
ATOM   1302 C  CG2 . THR A 1 170 ? 23.447  46.238 97.054  1.00 19.04 ? 180 THR H CG2 1 
ATOM   1303 N  N   . PHE A 1 171 ? 23.276  46.296 100.683 1.00 13.65 ? 181 PHE H N   1 
ATOM   1304 C  CA  . PHE A 1 171 ? 22.313  45.896 101.705 1.00 13.84 ? 181 PHE H CA  1 
ATOM   1305 C  C   . PHE A 1 171 ? 20.971  45.530 101.086 1.00 13.88 ? 181 PHE H C   1 
ATOM   1306 O  O   . PHE A 1 171 ? 20.564  46.117 100.074 1.00 14.88 ? 181 PHE H O   1 
ATOM   1307 C  CB  . PHE A 1 171 ? 22.159  47.017 102.719 1.00 12.56 ? 181 PHE H CB  1 
ATOM   1308 C  CG  . PHE A 1 171 ? 23.386  47.168 103.571 1.00 13.22 ? 181 PHE H CG  1 
ATOM   1309 C  CD1 . PHE A 1 171 ? 23.512  46.374 104.690 1.00 13.59 ? 181 PHE H CD1 1 
ATOM   1310 C  CD2 . PHE A 1 171 ? 24.444  47.971 103.224 1.00 14.59 ? 181 PHE H CD2 1 
ATOM   1311 C  CE1 . PHE A 1 171 ? 24.657  46.442 105.468 1.00 14.86 ? 181 PHE H CE1 1 
ATOM   1312 C  CE2 . PHE A 1 171 ? 25.579  48.033 104.002 1.00 17.39 ? 181 PHE H CE2 1 
ATOM   1313 C  CZ  . PHE A 1 171 ? 25.704  47.239 105.106 1.00 15.40 ? 181 PHE H CZ  1 
ATOM   1314 N  N   . PRO A 1 172 ? 20.188  44.687 101.763 1.00 14.57 ? 182 PRO H N   1 
ATOM   1315 C  CA  . PRO A 1 172 ? 18.783  44.502 101.405 1.00 16.60 ? 182 PRO H CA  1 
ATOM   1316 C  C   . PRO A 1 172 ? 18.055  45.831 101.432 1.00 16.36 ? 182 PRO H C   1 
ATOM   1317 O  O   . PRO A 1 172 ? 18.322  46.662 102.299 1.00 17.48 ? 182 PRO H O   1 
ATOM   1318 C  CB  . PRO A 1 172 ? 18.262  43.594 102.541 1.00 18.50 ? 182 PRO H CB  1 
ATOM   1319 C  CG  . PRO A 1 172 ? 19.466  42.845 102.953 1.00 19.27 ? 182 PRO H CG  1 
ATOM   1320 C  CD  . PRO A 1 172 ? 20.598  43.833 102.896 1.00 16.07 ? 182 PRO H CD  1 
ATOM   1321 N  N   . ALA A 1 173 ? 17.152  46.034 100.480 1.00 17.41 ? 183 ALA H N   1 
ATOM   1322 C  CA  . ALA A 1 173 ? 16.318  47.212 100.493 1.00 18.80 ? 183 ALA H CA  1 
ATOM   1323 C  C   . ALA A 1 173 ? 15.405  47.202 101.711 1.00 20.39 ? 183 ALA H C   1 
ATOM   1324 O  O   . ALA A 1 173 ? 15.011  46.139 102.194 1.00 22.88 ? 183 ALA H O   1 
ATOM   1325 C  CB  . ALA A 1 173 ? 15.523  47.276 99.209  1.00 21.44 ? 183 ALA H CB  1 
ATOM   1326 N  N   . VAL A 1 174 ? 15.039  48.404 102.127 1.00 20.27 ? 184 VAL H N   1 
ATOM   1327 C  CA  . VAL A 1 174 ? 14.019  48.621 103.135 1.00 23.38 ? 184 VAL H CA  1 
ATOM   1328 C  C   . VAL A 1 174 ? 12.887  49.393 102.479 1.00 20.75 ? 184 VAL H C   1 
ATOM   1329 O  O   . VAL A 1 174 ? 13.126  50.283 101.652 1.00 18.20 ? 184 VAL H O   1 
ATOM   1330 C  CB  . VAL A 1 174 ? 14.527  49.399 104.373 1.00 27.59 ? 184 VAL H CB  1 
ATOM   1331 C  CG1 . VAL A 1 174 ? 15.635  48.628 105.079 1.00 29.29 ? 184 VAL H CG1 1 
ATOM   1332 C  CG2 . VAL A 1 174 ? 14.964  50.837 104.041 1.00 30.54 ? 184 VAL H CG2 1 
ATOM   1333 N  N   . LEU A 1 175 ? 11.649  49.008 102.815 1.00 24.90 ? 185 LEU H N   1 
ATOM   1334 C  CA  . LEU A 1 175 ? 10.489  49.754 102.396 1.00 23.84 ? 185 LEU H CA  1 
ATOM   1335 C  C   . LEU A 1 175 ? 10.268  50.893 103.383 1.00 25.69 ? 185 LEU H C   1 
ATOM   1336 O  O   . LEU A 1 175 ? 10.150  50.666 104.584 1.00 28.37 ? 185 LEU H O   1 
ATOM   1337 C  CB  . LEU A 1 175 ? 9.294   48.808 102.349 1.00 27.19 ? 185 LEU H CB  1 
ATOM   1338 C  CG  . LEU A 1 175 ? 8.011   49.398 101.780 1.00 30.40 ? 185 LEU H CG  1 
ATOM   1339 C  CD1 . LEU A 1 175 ? 8.204   49.839 100.333 1.00 30.63 ? 185 LEU H CD1 1 
ATOM   1340 C  CD2 . LEU A 1 175 ? 6.877   48.381 101.895 1.00 33.62 ? 185 LEU H CD2 1 
ATOM   1341 N  N   . GLN A 1 176 ? 10.268  52.111 102.875 1.00 24.89 ? 186 GLN H N   1 
ATOM   1342 C  CA  . GLN A 1 176 ? 10.020  53.296 103.670 1.00 26.85 ? 186 GLN H CA  1 
ATOM   1343 C  C   . GLN A 1 176 ? 8.514   53.500 103.841 1.00 29.61 ? 186 GLN H C   1 
ATOM   1344 O  O   . GLN A 1 176 ? 7.719   52.901 103.115 1.00 30.89 ? 186 GLN H O   1 
ATOM   1345 C  CB  . GLN A 1 176 ? 10.666  54.493 102.971 1.00 25.72 ? 186 GLN H CB  1 
ATOM   1346 C  CG  . GLN A 1 176 ? 12.168  54.320 102.728 1.00 25.22 ? 186 GLN H CG  1 
ATOM   1347 C  CD  . GLN A 1 176 ? 12.758  55.373 101.815 1.00 24.26 ? 186 GLN H CD  1 
ATOM   1348 O  OE1 . GLN A 1 176 ? 13.603  56.189 102.222 1.00 27.01 ? 186 GLN H OE1 1 
ATOM   1349 N  NE2 . GLN A 1 176 ? 12.372  55.315 100.550 1.00 24.37 ? 186 GLN H NE2 1 
ATOM   1350 N  N   . SER A 1 177 ? 8.139   54.398 104.759 1.00 33.27 ? 187 SER H N   1 
ATOM   1351 C  CA  . SER A 1 177 ? 6.743   54.745 105.014 1.00 37.64 ? 187 SER H CA  1 
ATOM   1352 C  C   . SER A 1 177 ? 6.046   55.291 103.774 1.00 35.03 ? 187 SER H C   1 
ATOM   1353 O  O   . SER A 1 177 ? 4.828   55.177 103.653 1.00 38.65 ? 187 SER H O   1 
ATOM   1354 C  CB  . SER A 1 177 ? 6.618   55.753 106.144 1.00 41.90 ? 187 SER H CB  1 
ATOM   1355 O  OG  . SER A 1 177 ? 7.110   55.220 107.360 1.00 54.53 ? 187 SER H OG  1 
ATOM   1356 N  N   . SER A 1 178 ? 6.818   55.904 102.878 1.00 31.74 ? 188 SER H N   1 
ATOM   1357 C  CA  . SER A 1 178 ? 6.332   56.442 101.616 1.00 30.21 ? 188 SER H CA  1 
ATOM   1358 C  C   . SER A 1 178 ? 5.848   55.348 100.666 1.00 28.64 ? 188 SER H C   1 
ATOM   1359 O  O   . SER A 1 178 ? 5.178   55.650 99.682  1.00 30.68 ? 188 SER H O   1 
ATOM   1360 C  CB  . SER A 1 178 ? 7.424   57.207 100.945 1.00 27.60 ? 188 SER H CB  1 
ATOM   1361 O  OG  . SER A 1 178 ? 8.513   56.327 100.662 1.00 25.92 ? 188 SER H OG  1 
ATOM   1362 N  N   . GLY A 1 179 ? 6.263   54.096 100.897 1.00 26.94 ? 189 GLY H N   1 
ATOM   1363 C  CA  . GLY A 1 179 ? 5.955   53.009 99.970  1.00 25.18 ? 189 GLY H CA  1 
ATOM   1364 C  C   . GLY A 1 179 ? 7.005   52.854 98.870  1.00 21.31 ? 189 GLY H C   1 
ATOM   1365 O  O   . GLY A 1 179 ? 6.842   52.055 97.952  1.00 21.76 ? 189 GLY H O   1 
ATOM   1366 N  N   . LEU A 1 180 ? 8.103   53.591 99.009  1.00 18.58 ? 190 LEU H N   1 
ATOM   1367 C  CA  . LEU A 1 180 ? 9.253   53.487 98.118  1.00 16.78 ? 190 LEU H CA  1 
ATOM   1368 C  C   . LEU A 1 180 ? 10.397  52.813 98.859  1.00 16.10 ? 190 LEU H C   1 
ATOM   1369 O  O   . LEU A 1 180 ? 10.515  52.993 100.063 1.00 19.17 ? 190 LEU H O   1 
ATOM   1370 C  CB  . LEU A 1 180 ? 9.692   54.879 97.661  1.00 16.92 ? 190 LEU H CB  1 
ATOM   1371 C  CG  . LEU A 1 180 ? 8.607   55.734 97.005  1.00 17.38 ? 190 LEU H CG  1 
ATOM   1372 C  CD1 . LEU A 1 180 ? 9.164   57.119 96.689  1.00 18.20 ? 190 LEU H CD1 1 
ATOM   1373 C  CD2 . LEU A 1 180 ? 8.073   55.093 95.750  1.00 16.40 ? 190 LEU H CD2 1 
ATOM   1374 N  N   . TYR A 1 181 ? 11.246  52.110 98.125  1.00 14.08 ? 191 TYR H N   1 
ATOM   1375 C  CA  . TYR A 1 181 ? 12.397  51.425 98.671  1.00 13.94 ? 191 TYR H CA  1 
ATOM   1376 C  C   . TYR A 1 181 ? 13.616  52.342 98.737  1.00 15.29 ? 191 TYR H C   1 
ATOM   1377 O  O   . TYR A 1 181 ? 13.743  53.315 97.979  1.00 14.82 ? 191 TYR H O   1 
ATOM   1378 C  CB  . TYR A 1 181 ? 12.714  50.187 97.831  1.00 14.69 ? 191 TYR H CB  1 
ATOM   1379 C  CG  . TYR A 1 181 ? 11.651  49.128 97.861  1.00 15.99 ? 191 TYR H CG  1 
ATOM   1380 C  CD1 . TYR A 1 181 ? 11.675  48.159 98.846  1.00 18.01 ? 191 TYR H CD1 1 
ATOM   1381 C  CD2 . TYR A 1 181 ? 10.638  49.068 96.905  1.00 16.51 ? 191 TYR H CD2 1 
ATOM   1382 C  CE1 . TYR A 1 181 ? 10.715  47.163 98.898  1.00 19.24 ? 191 TYR H CE1 1 
ATOM   1383 C  CE2 . TYR A 1 181 ? 9.660   48.093 96.969  1.00 18.33 ? 191 TYR H CE2 1 
ATOM   1384 C  CZ  . TYR A 1 181 ? 9.712   47.122 97.952  1.00 20.64 ? 191 TYR H CZ  1 
ATOM   1385 O  OH  . TYR A 1 181 ? 8.775   46.114 97.991  1.00 26.59 ? 191 TYR H OH  1 
ATOM   1386 N  N   . SER A 1 182 ? 14.549  51.958 99.621  1.00 14.70 ? 192 SER H N   1 
ATOM   1387 C  CA  . SER A 1 182 ? 15.840  52.585 99.760  1.00 15.48 ? 192 SER H CA  1 
ATOM   1388 C  C   . SER A 1 182 ? 16.840  51.486 100.076 1.00 16.09 ? 192 SER H C   1 
ATOM   1389 O  O   . SER A 1 182 ? 16.544  50.569 100.834 1.00 19.07 ? 192 SER H O   1 
ATOM   1390 C  CB  . SER A 1 182 ? 15.799  53.656 100.829 1.00 20.90 ? 192 SER H CB  1 
ATOM   1391 O  OG  . SER A 1 182 ? 17.028  54.362 100.921 1.00 27.06 ? 192 SER H OG  1 
ATOM   1392 N  N   . LEU A 1 183 ? 18.038  51.633 99.562  1.00 15.47 ? 193 LEU H N   1 
ATOM   1393 C  CA  . LEU A 1 183 ? 19.125  50.694 99.777  1.00 17.53 ? 193 LEU H CA  1 
ATOM   1394 C  C   . LEU A 1 183 ? 20.426  51.487 99.815  1.00 14.25 ? 193 LEU H C   1 
ATOM   1395 O  O   . LEU A 1 183 ? 20.555  52.518 99.154  1.00 15.91 ? 193 LEU H O   1 
ATOM   1396 C  CB  . LEU A 1 183 ? 18.980  49.836 98.511  1.00 23.25 ? 193 LEU H CB  1 
ATOM   1397 C  CG  . LEU A 1 183 ? 20.053  48.885 98.094  1.00 24.51 ? 193 LEU H CG  1 
ATOM   1398 C  CD1 . LEU A 1 183 ? 19.419  47.791 97.293  1.00 21.38 ? 193 LEU H CD1 1 
ATOM   1399 C  CD2 . LEU A 1 183 ? 21.163  49.579 97.401  1.00 18.73 ? 193 LEU H CD2 1 
ATOM   1400 N  N   . SER A 1 184 ? 21.413  51.026 100.575 1.00 14.73 ? 194 SER H N   1 
ATOM   1401 C  CA  A SER A 1 184 ? 22.769  51.529 100.414 0.50 13.54 ? 194 SER H CA  1 
ATOM   1402 C  CA  B SER A 1 184 ? 22.775  51.517 100.453 0.50 14.12 ? 194 SER H CA  1 
ATOM   1403 C  C   . SER A 1 184 ? 23.665  50.397 99.934  1.00 13.67 ? 194 SER H C   1 
ATOM   1404 O  O   . SER A 1 184 ? 23.436  49.214 100.231 1.00 13.37 ? 194 SER H O   1 
ATOM   1405 C  CB  A SER A 1 184 ? 23.341  52.158 101.671 0.50 14.55 ? 194 SER H CB  1 
ATOM   1406 C  CB  B SER A 1 184 ? 23.306  52.009 101.772 0.50 16.17 ? 194 SER H CB  1 
ATOM   1407 O  OG  A SER A 1 184 ? 22.840  53.470 101.873 0.50 14.71 ? 194 SER H OG  1 
ATOM   1408 O  OG  B SER A 1 184 ? 23.309  50.950 102.727 0.50 17.77 ? 194 SER H OG  1 
ATOM   1409 N  N   . SER A 1 185 ? 24.696  50.793 99.208  1.00 13.10 ? 195 SER H N   1 
ATOM   1410 C  CA  . SER A 1 185 ? 25.781  49.926 98.818  1.00 13.99 ? 195 SER H CA  1 
ATOM   1411 C  C   . SER A 1 185 ? 27.072  50.604 99.232  1.00 14.50 ? 195 SER H C   1 
ATOM   1412 O  O   . SER A 1 185 ? 27.293  51.770 98.886  1.00 16.25 ? 195 SER H O   1 
ATOM   1413 C  CB  . SER A 1 185 ? 25.771  49.639 97.328  1.00 13.47 ? 195 SER H CB  1 
ATOM   1414 O  OG  . SER A 1 185 ? 26.866  48.802 96.957  1.00 15.62 ? 195 SER H OG  1 
ATOM   1415 N  N   . VAL A 1 186 ? 27.907  49.867 99.962  1.00 14.37 ? 196 VAL H N   1 
ATOM   1416 C  CA  . VAL A 1 186 ? 29.146  50.417 100.485 1.00 14.95 ? 196 VAL H CA  1 
ATOM   1417 C  C   . VAL A 1 186 ? 30.288  49.517 100.016 1.00 17.09 ? 196 VAL H C   1 
ATOM   1418 O  O   . VAL A 1 186 ? 30.111  48.332 99.687  1.00 17.46 ? 196 VAL H O   1 
ATOM   1419 C  CB  . VAL A 1 186 ? 29.124  50.557 102.016 1.00 17.03 ? 196 VAL H CB  1 
ATOM   1420 C  CG1 . VAL A 1 186 ? 28.004  51.474 102.485 1.00 15.97 ? 196 VAL H CG1 1 
ATOM   1421 C  CG2 . VAL A 1 186 ? 29.021  49.201 102.684 1.00 17.59 ? 196 VAL H CG2 1 
ATOM   1422 N  N   . VAL A 1 187 ? 31.480  50.091 100.031 1.00 16.15 ? 197 VAL H N   1 
ATOM   1423 C  CA  . VAL A 1 187 ? 32.690  49.324 99.799  1.00 18.06 ? 197 VAL H CA  1 
ATOM   1424 C  C   . VAL A 1 187 ? 33.755  49.864 100.751 1.00 19.46 ? 197 VAL H C   1 
ATOM   1425 O  O   . VAL A 1 187 ? 33.809  51.065 100.988 1.00 20.73 ? 197 VAL H O   1 
ATOM   1426 C  CB  . VAL A 1 187 ? 33.083  49.342 98.301  1.00 18.41 ? 197 VAL H CB  1 
ATOM   1427 C  CG1 . VAL A 1 187 ? 33.315  50.742 97.764  1.00 21.87 ? 197 VAL H CG1 1 
ATOM   1428 C  CG2 . VAL A 1 187 ? 34.277  48.439 98.027  1.00 21.53 ? 197 VAL H CG2 1 
ATOM   1429 N  N   . THR A 1 188 ? 34.578  48.965 101.289 1.00 21.25 ? 198 THR H N   1 
ATOM   1430 C  CA  . THR A 1 188 ? 35.752  49.388 102.015 1.00 23.38 ? 198 THR H CA  1 
ATOM   1431 C  C   . THR A 1 188 ? 36.949  49.207 101.105 1.00 24.89 ? 198 THR H C   1 
ATOM   1432 O  O   . THR A 1 188 ? 37.040  48.210 100.387 1.00 23.69 ? 198 THR H O   1 
ATOM   1433 C  CB  . THR A 1 188 ? 35.905  48.678 103.360 1.00 25.46 ? 198 THR H CB  1 
ATOM   1434 O  OG1 . THR A 1 188 ? 35.922  47.272 103.128 1.00 28.65 ? 198 THR H OG1 1 
ATOM   1435 C  CG2 . THR A 1 188 ? 34.796  49.047 104.322 1.00 29.35 ? 198 THR H CG2 1 
ATOM   1436 N  N   . VAL A 1 189 ? 37.849  50.180 101.213 1.00 27.85 ? 199 VAL H N   1 
ATOM   1437 C  CA  . VAL A 1 189 ? 38.991  50.343 100.337 1.00 28.25 ? 199 VAL H CA  1 
ATOM   1438 C  C   . VAL A 1 189 ? 40.185  50.860 101.120 1.00 31.24 ? 199 VAL H C   1 
ATOM   1439 O  O   . VAL A 1 189 ? 40.017  51.390 102.218 1.00 31.11 ? 199 VAL H O   1 
ATOM   1440 C  CB  . VAL A 1 189 ? 38.638  51.288 99.182  1.00 28.17 ? 199 VAL H CB  1 
ATOM   1441 C  CG1 . VAL A 1 189 ? 38.446  52.733 99.514  1.00 32.02 ? 199 VAL H CG1 1 
ATOM   1442 C  CG2 . VAL A 1 189 ? 39.622  51.165 98.063  1.00 37.53 ? 199 VAL H CG2 1 
ATOM   1443 N  N   . PRO A 1 190 ? 41.430  50.647 100.640 1.00 33.36 ? 200 PRO H N   1 
ATOM   1444 C  CA  . PRO A 1 190 ? 42.566  51.308 101.268 1.00 36.45 ? 200 PRO H CA  1 
ATOM   1445 C  C   . PRO A 1 190 ? 42.509  52.836 101.162 1.00 43.49 ? 200 PRO H C   1 
ATOM   1446 O  O   . PRO A 1 190 ? 42.252  53.359 100.072 1.00 41.12 ? 200 PRO H O   1 
ATOM   1447 C  CB  . PRO A 1 190 ? 43.775  50.773 100.474 1.00 37.61 ? 200 PRO H CB  1 
ATOM   1448 C  CG  . PRO A 1 190 ? 43.298  49.494 99.836  1.00 37.86 ? 200 PRO H CG  1 
ATOM   1449 C  CD  . PRO A 1 190 ? 41.834  49.754 99.531  1.00 34.89 ? 200 PRO H CD  1 
ATOM   1450 N  N   . SER A 1 191 ? 42.708  53.525 102.311 1.00 46.18 ? 201 SER H N   1 
ATOM   1451 C  CA  . SER A 1 191 ? 42.780  54.988 102.361 1.00 57.66 ? 201 SER H CA  1 
ATOM   1452 C  C   . SER A 1 191 ? 43.782  55.477 101.307 1.00 60.93 ? 201 SER H C   1 
ATOM   1453 O  O   . SER A 1 191 ? 43.433  56.347 100.387 1.00 79.42 ? 201 SER H O   1 
ATOM   1454 C  CB  . SER A 1 191 ? 43.113  55.484 103.739 1.00 56.57 ? 201 SER H CB  1 
ATOM   1455 O  OG  . SER A 1 191 ? 42.067  55.137 104.649 1.00 54.59 ? 201 SER H OG  1 
ATOM   1456 N  N   . SER A 1 192 ? 44.927  54.772 101.265 1.00 64.42 ? 202 SER H N   1 
ATOM   1457 C  CA  . SER A 1 192 ? 45.989  55.104 100.327 1.00 62.85 ? 202 SER H CA  1 
ATOM   1458 C  C   . SER A 1 192 ? 45.471  55.254 98.898  1.00 57.12 ? 202 SER H C   1 
ATOM   1459 O  O   . SER A 1 192 ? 46.113  55.950 98.108  1.00 57.07 ? 202 SER H O   1 
ATOM   1460 C  CB  . SER A 1 192 ? 47.132  54.109 100.414 1.00 60.85 ? 202 SER H CB  1 
ATOM   1461 O  OG  . SER A 1 192 ? 46.679  52.760 100.356 1.00 56.62 ? 202 SER H OG  1 
ATOM   1462 N  N   . SER A 1 193 ? 44.313  54.641 98.570  1.00 47.80 ? 203 SER H N   1 
ATOM   1463 C  CA  A SER A 1 193 ? 43.790  54.640 97.212  0.50 46.09 ? 203 SER H CA  1 
ATOM   1464 C  CA  B SER A 1 193 ? 43.809  54.650 97.203  0.50 49.97 ? 203 SER H CA  1 
ATOM   1465 C  C   . SER A 1 193 ? 42.956  55.887 96.927  1.00 48.90 ? 203 SER H C   1 
ATOM   1466 O  O   . SER A 1 193 ? 42.716  56.211 95.764  1.00 50.07 ? 203 SER H O   1 
ATOM   1467 C  CB  A SER A 1 193 ? 42.965  53.387 96.950  0.50 46.61 ? 203 SER H CB  1 
ATOM   1468 C  CB  B SER A 1 193 ? 43.002  53.402 96.889  0.50 55.40 ? 203 SER H CB  1 
ATOM   1469 O  OG  A SER A 1 193 ? 41.737  53.372 97.694  0.50 44.73 ? 203 SER H OG  1 
ATOM   1470 O  OG  B SER A 1 193 ? 43.799  52.220 96.944  0.50 55.95 ? 203 SER H OG  1 
ATOM   1471 N  N   . LEU A 1 194 ? 42.447  56.544 97.994  1.00 47.20 ? 204 LEU H N   1 
ATOM   1472 C  CA  . LEU A 1 194 ? 41.404  57.549 97.810  1.00 45.66 ? 204 LEU H CA  1 
ATOM   1473 C  C   . LEU A 1 194 ? 41.848  58.666 96.868  1.00 48.04 ? 204 LEU H C   1 
ATOM   1474 O  O   . LEU A 1 194 ? 41.008  59.304 96.227  1.00 47.31 ? 204 LEU H O   1 
ATOM   1475 C  CB  . LEU A 1 194 ? 40.965  58.153 99.140  1.00 45.58 ? 204 LEU H CB  1 
ATOM   1476 C  CG  . LEU A 1 194 ? 40.115  57.264 100.035 1.00 43.74 ? 204 LEU H CG  1 
ATOM   1477 C  CD1 . LEU A 1 194 ? 39.714  58.032 101.280 1.00 45.59 ? 204 LEU H CD1 1 
ATOM   1478 C  CD2 . LEU A 1 194 ? 38.883  56.732 99.315  1.00 41.44 ? 204 LEU H CD2 1 
ATOM   1479 N  N   . GLY A 1 195 ? 43.159  58.914 96.813  1.00 49.49 ? 205 GLY H N   1 
ATOM   1480 C  CA  . GLY A 1 195 ? 43.702  59.975 95.982  1.00 53.52 ? 205 GLY H CA  1 
ATOM   1481 C  C   . GLY A 1 195 ? 43.788  59.610 94.502  1.00 59.34 ? 205 GLY H C   1 
ATOM   1482 O  O   . GLY A 1 195 ? 43.655  60.496 93.658  1.00 62.84 ? 205 GLY H O   1 
ATOM   1483 N  N   . THR A 1 196 ? 44.027  58.324 94.193  1.00 62.31 ? 206 THR H N   1 
ATOM   1484 C  CA  . THR A 1 196 ? 44.495  57.931 92.867  1.00 72.89 ? 206 THR H CA  1 
ATOM   1485 C  C   . THR A 1 196 ? 43.542  56.934 92.205  1.00 62.57 ? 206 THR H C   1 
ATOM   1486 O  O   . THR A 1 196 ? 43.815  56.386 91.138  1.00 68.47 ? 206 THR H O   1 
ATOM   1487 C  CB  . THR A 1 196 ? 45.911  57.346 92.947  1.00 75.00 ? 206 THR H CB  1 
ATOM   1488 O  OG1 . THR A 1 196 ? 45.858  56.162 93.745  1.00 74.85 ? 206 THR H OG1 1 
ATOM   1489 C  CG2 . THR A 1 196 ? 46.917  58.314 93.534  1.00 76.60 ? 206 THR H CG2 1 
ATOM   1490 N  N   . GLN A 1 197 ? 42.408  56.674 92.830  1.00 55.05 ? 207 GLN H N   1 
ATOM   1491 C  CA  . GLN A 1 197 ? 41.471  55.736 92.245  1.00 52.07 ? 207 GLN H CA  1 
ATOM   1492 C  C   . GLN A 1 197 ? 40.084  56.344 92.341  1.00 46.90 ? 207 GLN H C   1 
ATOM   1493 O  O   . GLN A 1 197 ? 39.653  56.758 93.424  1.00 45.90 ? 207 GLN H O   1 
ATOM   1494 C  CB  . GLN A 1 197 ? 41.532  54.393 92.974  1.00 44.19 ? 207 GLN H CB  1 
ATOM   1495 C  CG  . GLN A 1 197 ? 40.489  53.399 92.517  1.00 43.73 ? 207 GLN H CG  1 
ATOM   1496 C  CD  . GLN A 1 197 ? 40.709  53.073 91.079  1.00 43.25 ? 207 GLN H CD  1 
ATOM   1497 O  OE1 . GLN A 1 197 ? 41.835  52.787 90.680  1.00 52.26 ? 207 GLN H OE1 1 
ATOM   1498 N  NE2 . GLN A 1 197 ? 39.659  53.165 90.273  1.00 51.05 ? 207 GLN H NE2 1 
ATOM   1499 N  N   . THR A 1 198 ? 39.370  56.304 91.209  1.00 40.47 ? 208 THR H N   1 
ATOM   1500 C  CA  . THR A 1 198 ? 37.988  56.744 91.152  1.00 40.96 ? 208 THR H CA  1 
ATOM   1501 C  C   . THR A 1 198 ? 37.064  55.597 91.547  1.00 36.00 ? 208 THR H C   1 
ATOM   1502 O  O   . THR A 1 198 ? 37.285  54.443 91.159  1.00 37.31 ? 208 THR H O   1 
ATOM   1503 C  CB  . THR A 1 198 ? 37.653  57.268 89.752  1.00 45.51 ? 208 THR H CB  1 
ATOM   1504 O  OG1 . THR A 1 198 ? 38.522  58.386 89.613  1.00 50.93 ? 208 THR H OG1 1 
ATOM   1505 C  CG2 . THR A 1 198 ? 36.212  57.680 89.555  1.00 46.85 ? 208 THR H CG2 1 
ATOM   1506 N  N   . TYR A 1 199 ? 35.996  55.957 92.259  1.00 31.75 ? 209 TYR H N   1 
ATOM   1507 C  CA  . TYR A 1 199 ? 34.992  55.001 92.682  1.00 29.93 ? 209 TYR H CA  1 
ATOM   1508 C  C   . TYR A 1 199 ? 33.650  55.499 92.165  1.00 28.59 ? 209 TYR H C   1 
ATOM   1509 O  O   . TYR A 1 199 ? 33.218  56.599 92.528  1.00 30.23 ? 209 TYR H O   1 
ATOM   1510 C  CB  . TYR A 1 199 ? 35.001  54.811 94.203  1.00 29.86 ? 209 TYR H CB  1 
ATOM   1511 C  CG  . TYR A 1 199 ? 36.286  54.197 94.693  1.00 29.04 ? 209 TYR H CG  1 
ATOM   1512 C  CD1 . TYR A 1 199 ? 36.555  52.857 94.441  1.00 29.85 ? 209 TYR H CD1 1 
ATOM   1513 C  CD2 . TYR A 1 199 ? 37.288  54.962 95.275  1.00 32.04 ? 209 TYR H CD2 1 
ATOM   1514 C  CE1 . TYR A 1 199 ? 37.745  52.271 94.844  1.00 30.28 ? 209 TYR H CE1 1 
ATOM   1515 C  CE2 . TYR A 1 199 ? 38.484  54.388 95.661  1.00 32.16 ? 209 TYR H CE2 1 
ATOM   1516 C  CZ  . TYR A 1 199 ? 38.704  53.036 95.482  1.00 30.64 ? 209 TYR H CZ  1 
ATOM   1517 O  OH  . TYR A 1 199 ? 39.890  52.431 95.828  1.00 33.23 ? 209 TYR H OH  1 
ATOM   1518 N  N   . ILE A 1 200 ? 33.047  54.682 91.287  1.00 27.44 ? 210 ILE H N   1 
ATOM   1519 C  CA  . ILE A 1 200 ? 31.754  54.967 90.696  1.00 27.46 ? 210 ILE H CA  1 
ATOM   1520 C  C   . ILE A 1 200 ? 30.831  53.799 91.009  1.00 26.05 ? 210 ILE H C   1 
ATOM   1521 O  O   . ILE A 1 200 ? 31.204  52.637 90.792  1.00 25.36 ? 210 ILE H O   1 
ATOM   1522 C  CB  . ILE A 1 200 ? 31.889  55.190 89.173  1.00 29.77 ? 210 ILE H CB  1 
ATOM   1523 C  CG1 . ILE A 1 200 ? 32.789  56.391 88.856  1.00 31.01 ? 210 ILE H CG1 1 
ATOM   1524 C  CG2 . ILE A 1 200 ? 30.534  55.341 88.509  1.00 29.83 ? 210 ILE H CG2 1 
ATOM   1525 C  CD1 . ILE A 1 200 ? 33.175  56.545 87.420  1.00 33.72 ? 210 ILE H CD1 1 
ATOM   1526 N  N   . CYS A 1 201 ? 29.642  54.126 91.543  1.00 21.64 ? 211 CYS H N   1 
ATOM   1527 C  CA  . CYS A 1 201 ? 28.608  53.124 91.661  1.00 23.46 ? 211 CYS H CA  1 
ATOM   1528 C  C   . CYS A 1 201 ? 27.707  53.165 90.432  1.00 23.75 ? 211 CYS H C   1 
ATOM   1529 O  O   . CYS A 1 201 ? 27.320  54.234 89.954  1.00 23.82 ? 211 CYS H O   1 
ATOM   1530 C  CB  . CYS A 1 201 ? 27.803  53.279 92.935  1.00 22.74 ? 211 CYS H CB  1 
ATOM   1531 S  SG  . CYS A 1 201 ? 26.782  54.777 93.008  1.00 22.91 ? 211 CYS H SG  1 
ATOM   1532 N  N   . ASN A 1 202 ? 27.380  51.975 89.932  1.00 22.92 ? 212 ASN H N   1 
ATOM   1533 C  CA  . ASN A 1 202 ? 26.573  51.825 88.729  1.00 23.18 ? 212 ASN H CA  1 
ATOM   1534 C  C   . ASN A 1 202 ? 25.243  51.211 89.140  1.00 20.54 ? 212 ASN H C   1 
ATOM   1535 O  O   . ASN A 1 202 ? 25.208  50.053 89.587  1.00 21.59 ? 212 ASN H O   1 
ATOM   1536 C  CB  . ASN A 1 202 ? 27.248  50.887 87.744  1.00 24.10 ? 212 ASN H CB  1 
ATOM   1537 C  CG  . ASN A 1 202 ? 28.746  51.066 87.663  1.00 25.44 ? 212 ASN H CG  1 
ATOM   1538 O  OD1 . ASN A 1 202 ? 29.505  50.227 88.168  1.00 29.17 ? 212 ASN H OD1 1 
ATOM   1539 N  ND2 . ASN A 1 202 ? 29.164  52.187 87.108  1.00 26.96 ? 212 ASN H ND2 1 
ATOM   1540 N  N   . VAL A 1 203 ? 24.173  52.014 89.056  1.00 21.15 ? 213 VAL H N   1 
ATOM   1541 C  CA  . VAL A 1 203 ? 22.870  51.631 89.569  1.00 19.45 ? 213 VAL H CA  1 
ATOM   1542 C  C   . VAL A 1 203 ? 21.935  51.395 88.386  1.00 20.50 ? 213 VAL H C   1 
ATOM   1543 O  O   . VAL A 1 203 ? 21.809  52.267 87.542  1.00 24.34 ? 213 VAL H O   1 
ATOM   1544 C  CB  . VAL A 1 203 ? 22.292  52.678 90.532  1.00 20.12 ? 213 VAL H CB  1 
ATOM   1545 C  CG1 . VAL A 1 203 ? 20.910  52.280 91.019  1.00 19.90 ? 213 VAL H CG1 1 
ATOM   1546 C  CG2 . VAL A 1 203 ? 23.227  52.913 91.705  1.00 19.23 ? 213 VAL H CG2 1 
ATOM   1547 N  N   . ASN A 1 204 ? 21.279  50.250 88.346  1.00 19.96 ? 214 ASN H N   1 
ATOM   1548 C  CA  . ASN A 1 204 ? 20.322  49.933 87.279  1.00 19.47 ? 214 ASN H CA  1 
ATOM   1549 C  C   . ASN A 1 204 ? 18.991  49.555 87.906  1.00 19.30 ? 214 ASN H C   1 
ATOM   1550 O  O   . ASN A 1 204 ? 18.938  48.631 88.712  1.00 21.20 ? 214 ASN H O   1 
ATOM   1551 C  CB  . ASN A 1 204 ? 20.806  48.804 86.356  1.00 21.99 ? 214 ASN H CB  1 
ATOM   1552 C  CG  . ASN A 1 204 ? 20.007  48.589 85.084  1.00 25.20 ? 214 ASN H CG  1 
ATOM   1553 O  OD1 . ASN A 1 204 ? 20.346  47.702 84.297  1.00 34.20 ? 214 ASN H OD1 1 
ATOM   1554 N  ND2 . ASN A 1 204 ? 18.999  49.392 84.830  1.00 28.35 ? 214 ASN H ND2 1 
ATOM   1555 N  N   . HIS A 1 205 ? 17.952  50.319 87.578  1.00 17.67 ? 215 HIS H N   1 
ATOM   1556 C  CA  . HIS A 1 205 ? 16.589  50.026 87.963  1.00 16.40 ? 215 HIS H CA  1 
ATOM   1557 C  C   . HIS A 1 205 ? 15.822  49.701 86.691  1.00 17.54 ? 215 HIS H C   1 
ATOM   1558 O  O   . HIS A 1 205 ? 15.224  50.597 86.046  1.00 18.09 ? 215 HIS H O   1 
ATOM   1559 C  CB  . HIS A 1 205 ? 16.001  51.203 88.733  1.00 15.89 ? 215 HIS H CB  1 
ATOM   1560 C  CG  . HIS A 1 205 ? 14.623  50.941 89.252  1.00 14.03 ? 215 HIS H CG  1 
ATOM   1561 N  ND1 . HIS A 1 205 ? 13.513  51.660 88.880  1.00 15.10 ? 215 HIS H ND1 1 
ATOM   1562 C  CD2 . HIS A 1 205 ? 14.194  49.997 90.129  1.00 13.91 ? 215 HIS H CD2 1 
ATOM   1563 C  CE1 . HIS A 1 205 ? 12.466  51.159 89.516  1.00 14.76 ? 215 HIS H CE1 1 
ATOM   1564 N  NE2 . HIS A 1 205 ? 12.859  50.134 90.300  1.00 13.94 ? 215 HIS H NE2 1 
ATOM   1565 N  N   . LYS A 1 206 ? 15.828  48.403 86.354  1.00 17.45 ? 216 LYS H N   1 
ATOM   1566 C  CA  . LYS A 1 206 ? 15.233  47.981 85.093  1.00 19.98 ? 216 LYS H CA  1 
ATOM   1567 C  C   . LYS A 1 206 ? 13.755  48.355 85.019  1.00 19.86 ? 216 LYS H C   1 
ATOM   1568 O  O   . LYS A 1 206 ? 13.253  48.719 83.945  1.00 21.97 ? 216 LYS H O   1 
ATOM   1569 C  CB  . LYS A 1 206 ? 15.465  46.489 84.834  1.00 22.19 ? 216 LYS H CB  1 
ATOM   1570 C  CG  . LYS A 1 206 ? 16.928  46.119 84.604  1.00 27.09 ? 216 LYS H CG  1 
ATOM   1571 C  CD  . LYS A 1 206 ? 17.138  44.687 84.197  1.00 33.60 ? 216 LYS H CD  1 
ATOM   1572 C  CE  . LYS A 1 206 ? 18.566  44.335 83.835  1.00 41.48 ? 216 LYS H CE  1 
ATOM   1573 N  NZ  . LYS A 1 206 ? 19.439  44.387 85.031  1.00 47.43 ? 216 LYS H NZ  1 
ATOM   1574 N  N   . PRO A 1 207 ? 12.961  48.247 86.100  1.00 18.51 ? 217 PRO H N   1 
ATOM   1575 C  CA  . PRO A 1 207 ? 11.535  48.527 85.982  1.00 18.46 ? 217 PRO H CA  1 
ATOM   1576 C  C   . PRO A 1 207 ? 11.188  49.904 85.431  1.00 19.04 ? 217 PRO H C   1 
ATOM   1577 O  O   . PRO A 1 207 ? 10.178  50.026 84.752  1.00 21.32 ? 217 PRO H O   1 
ATOM   1578 C  CB  . PRO A 1 207 ? 11.040  48.360 87.423  1.00 19.71 ? 217 PRO H CB  1 
ATOM   1579 C  CG  . PRO A 1 207 ? 11.930  47.270 87.951  1.00 19.38 ? 217 PRO H CG  1 
ATOM   1580 C  CD  . PRO A 1 207 ? 13.299  47.642 87.404  1.00 18.19 ? 217 PRO H CD  1 
ATOM   1581 N  N   . SER A 1 208 ? 12.021  50.921 85.716  1.00 19.54 ? 218 SER H N   1 
ATOM   1582 C  CA  . SER A 1 208 ? 11.758  52.273 85.230  1.00 21.02 ? 218 SER H CA  1 
ATOM   1583 C  C   . SER A 1 208 ? 12.716  52.646 84.098  1.00 22.50 ? 218 SER H C   1 
ATOM   1584 O  O   . SER A 1 208 ? 12.765  53.808 83.686  1.00 23.69 ? 218 SER H O   1 
ATOM   1585 C  CB  . SER A 1 208 ? 11.884  53.266 86.348  1.00 21.15 ? 218 SER H CB  1 
ATOM   1586 O  OG  . SER A 1 208 ? 13.230  53.354 86.786  1.00 17.89 ? 218 SER H OG  1 
ATOM   1587 N  N   . ASN A 1 209 ? 13.543  51.692 83.656  1.00 22.45 ? 219 ASN H N   1 
ATOM   1588 C  CA  . ASN A 1 209 ? 14.557  51.962 82.636  1.00 24.72 ? 219 ASN H CA  1 
ATOM   1589 C  C   . ASN A 1 209 ? 15.444  53.132 83.068  1.00 25.85 ? 219 ASN H C   1 
ATOM   1590 O  O   . ASN A 1 209 ? 15.784  54.002 82.259  1.00 30.83 ? 219 ASN H O   1 
ATOM   1591 C  CB  . ASN A 1 209 ? 13.942  52.208 81.253  1.00 26.57 ? 219 ASN H CB  1 
ATOM   1592 C  CG  . ASN A 1 209 ? 13.129  51.024 80.772  1.00 33.90 ? 219 ASN H CG  1 
ATOM   1593 O  OD1 . ASN A 1 209 ? 11.952  51.154 80.420  1.00 46.48 ? 219 ASN H OD1 1 
ATOM   1594 N  ND2 . ASN A 1 209 ? 13.745  49.857 80.735  1.00 38.91 ? 219 ASN H ND2 1 
ATOM   1595 N  N   . THR A 1 210 ? 15.900  53.070 84.331  1.00 25.77 ? 220 THR H N   1 
ATOM   1596 C  CA  . THR A 1 210 ? 16.765  54.083 84.912  1.00 27.14 ? 220 THR H CA  1 
ATOM   1597 C  C   . THR A 1 210 ? 18.142  53.473 85.172  1.00 25.75 ? 220 THR H C   1 
ATOM   1598 O  O   . THR A 1 210 ? 18.271  52.534 85.950  1.00 28.36 ? 220 THR H O   1 
ATOM   1599 C  CB  . THR A 1 210 ? 16.172  54.692 86.196  1.00 27.23 ? 220 THR H CB  1 
ATOM   1600 O  OG1 . THR A 1 210 ? 14.900  55.291 85.920  1.00 28.24 ? 220 THR H OG1 1 
ATOM   1601 C  CG2 . THR A 1 210 ? 17.067  55.759 86.789  1.00 28.86 ? 220 THR H CG2 1 
ATOM   1602 N  N   . LYS A 1 211 ? 19.179  54.077 84.581  1.00 27.46 ? 221 LYS H N   1 
ATOM   1603 C  CA  . LYS A 1 211 ? 20.555  53.758 84.902  1.00 27.06 ? 221 LYS H CA  1 
ATOM   1604 C  C   . LYS A 1 211 ? 21.227  55.053 85.331  1.00 27.44 ? 221 LYS H C   1 
ATOM   1605 O  O   . LYS A 1 211 ? 21.104  56.066 84.665  1.00 30.48 ? 221 LYS H O   1 
ATOM   1606 C  CB  . LYS A 1 211 ? 21.354  53.124 83.764  1.00 32.99 ? 221 LYS H CB  1 
ATOM   1607 C  CG  . LYS A 1 211 ? 20.843  51.762 83.301  1.00 38.76 ? 221 LYS H CG  1 
ATOM   1608 C  CD  . LYS A 1 211 ? 21.425  51.241 81.992  1.00 44.93 ? 221 LYS H CD  1 
ATOM   1609 C  CE  . LYS A 1 211 ? 22.870  50.795 82.089  1.00 50.28 ? 221 LYS H CE  1 
ATOM   1610 N  NZ  . LYS A 1 211 ? 23.311  50.092 80.859  1.00 57.99 ? 221 LYS H NZ  1 
ATOM   1611 N  N   . VAL A 1 212 ? 21.911  54.989 86.469  1.00 27.43 ? 222 VAL H N   1 
ATOM   1612 C  CA  . VAL A 1 212 ? 22.627  56.121 87.033  1.00 29.38 ? 222 VAL H CA  1 
ATOM   1613 C  C   . VAL A 1 212 ? 24.036  55.644 87.376  1.00 28.59 ? 222 VAL H C   1 
ATOM   1614 O  O   . VAL A 1 212 ? 24.183  54.597 88.026  1.00 28.58 ? 222 VAL H O   1 
ATOM   1615 C  CB  . VAL A 1 212 ? 21.927  56.653 88.307  1.00 30.09 ? 222 VAL H CB  1 
ATOM   1616 C  CG1 . VAL A 1 212 ? 22.745  57.747 88.960  1.00 33.55 ? 222 VAL H CG1 1 
ATOM   1617 C  CG2 . VAL A 1 212 ? 20.522  57.170 88.034  1.00 32.25 ? 222 VAL H CG2 1 
ATOM   1618 N  N   . ASP A 1 213 ? 25.050  56.438 87.007  1.00 29.51 ? 223 ASP H N   1 
ATOM   1619 C  CA  . ASP A 1 213 ? 26.409  56.217 87.466  1.00 30.85 ? 223 ASP H CA  1 
ATOM   1620 C  C   . ASP A 1 213 ? 26.794  57.424 88.312  1.00 31.82 ? 223 ASP H C   1 
ATOM   1621 O  O   . ASP A 1 213 ? 26.714  58.547 87.834  1.00 38.81 ? 223 ASP H O   1 
ATOM   1622 C  CB  . ASP A 1 213 ? 27.390  56.053 86.299  1.00 34.15 ? 223 ASP H CB  1 
ATOM   1623 C  CG  . ASP A 1 213 ? 27.081  54.878 85.396  1.00 36.36 ? 223 ASP H CG  1 
ATOM   1624 O  OD1 . ASP A 1 213 ? 27.079  53.728 85.880  1.00 35.95 ? 223 ASP H OD1 1 
ATOM   1625 O  OD2 . ASP A 1 213 ? 26.834  55.124 84.218  1.00 41.46 ? 223 ASP H OD2 1 
ATOM   1626 N  N   . LYS A 1 214 ? 27.201  57.187 89.562  1.00 27.98 ? 224 LYS H N   1 
ATOM   1627 C  CA  . LYS A 1 214 ? 27.556  58.271 90.464  1.00 29.57 ? 224 LYS H CA  1 
ATOM   1628 C  C   . LYS A 1 214 ? 28.999  58.101 90.925  1.00 28.34 ? 224 LYS H C   1 
ATOM   1629 O  O   . LYS A 1 214 ? 29.369  57.101 91.551  1.00 28.55 ? 224 LYS H O   1 
ATOM   1630 C  CB  . LYS A 1 214 ? 26.560  58.385 91.611  1.00 31.75 ? 224 LYS H CB  1 
ATOM   1631 C  CG  . LYS A 1 214 ? 26.821  59.478 92.626  1.00 34.75 ? 224 LYS H CG  1 
ATOM   1632 C  CD  . LYS A 1 214 ? 26.679  60.864 92.088  1.00 40.72 ? 224 LYS H CD  1 
ATOM   1633 C  CE  . LYS A 1 214 ? 27.090  61.916 93.093  1.00 49.80 ? 224 LYS H CE  1 
ATOM   1634 N  NZ  . LYS A 1 214 ? 27.208  63.259 92.483  1.00 56.18 ? 224 LYS H NZ  1 
ATOM   1635 N  N   . LYS A 1 215 ? 29.779  59.148 90.654  1.00 30.87 ? 225 LYS H N   1 
ATOM   1636 C  CA  . LYS A 1 215 ? 31.148  59.262 91.141  1.00 33.15 ? 225 LYS H CA  1 
ATOM   1637 C  C   . LYS A 1 215 ? 31.114  59.702 92.601  1.00 31.74 ? 225 LYS H C   1 
ATOM   1638 O  O   . LYS A 1 215 ? 30.429  60.660 92.956  1.00 35.24 ? 225 LYS H O   1 
ATOM   1639 C  CB  . LYS A 1 215 ? 31.951  60.253 90.294  1.00 39.29 ? 225 LYS H CB  1 
ATOM   1640 C  CG  . LYS A 1 215 ? 31.151  61.469 89.826  1.00 50.22 ? 225 LYS H CG  1 
ATOM   1641 C  CD  . LYS A 1 215 ? 30.175  61.200 88.668  1.00 52.47 ? 225 LYS H CD  1 
ATOM   1642 C  CE  . LYS A 1 215 ? 28.756  61.706 88.887  1.00 54.57 ? 225 LYS H CE  1 
ATOM   1643 N  NZ  . LYS A 1 215 ? 28.689  63.172 89.116  1.00 65.19 ? 225 LYS H NZ  1 
ATOM   1644 N  N   . VAL A 1 216 ? 31.809  58.945 93.454  1.00 28.84 ? 226 VAL H N   1 
ATOM   1645 C  CA  . VAL A 1 216 ? 31.846  59.233 94.879  1.00 25.53 ? 226 VAL H CA  1 
ATOM   1646 C  C   . VAL A 1 216 ? 33.199  59.847 95.211  1.00 28.49 ? 226 VAL H C   1 
ATOM   1647 O  O   . VAL A 1 216 ? 34.197  59.131 95.201  1.00 30.36 ? 226 VAL H O   1 
ATOM   1648 C  CB  . VAL A 1 216 ? 31.587  57.966 95.707  1.00 22.94 ? 226 VAL H CB  1 
ATOM   1649 C  CG1 . VAL A 1 216 ? 31.533  58.306 97.181  1.00 22.64 ? 226 VAL H CG1 1 
ATOM   1650 C  CG2 . VAL A 1 216 ? 30.295  57.301 95.284  1.00 22.26 ? 226 VAL H CG2 1 
ATOM   1651 N  N   . GLU A 1 217 ? 33.200  61.156 95.504  1.00 30.50 ? 227 GLU H N   1 
ATOM   1652 C  CA  . GLU A 1 217 ? 34.417  61.931 95.685  1.00 36.67 ? 227 GLU H CA  1 
ATOM   1653 C  C   . GLU A 1 217 ? 34.739  61.996 97.165  1.00 38.06 ? 227 GLU H C   1 
ATOM   1654 O  O   . GLU A 1 217 ? 33.867  62.357 97.962  1.00 38.42 ? 227 GLU H O   1 
ATOM   1655 C  CB  . GLU A 1 217 ? 34.232  63.368 95.194  1.00 41.43 ? 227 GLU H CB  1 
ATOM   1656 C  CG  . GLU A 1 217 ? 33.915  63.485 93.722  1.00 49.66 ? 227 GLU H CG  1 
ATOM   1657 C  CD  . GLU A 1 217 ? 35.132  63.493 92.811  1.00 57.56 ? 227 GLU H CD  1 
ATOM   1658 O  OE1 . GLU A 1 217 ? 36.272  63.397 93.349  1.00 62.45 ? 227 GLU H OE1 1 
ATOM   1659 O  OE2 . GLU A 1 217 ? 34.940  63.597 91.563  1.00 64.36 ? 227 GLU H OE2 1 
ATOM   1660 N  N   . PRO A 1 218 ? 35.991  61.674 97.566  1.00 43.57 ? 228 PRO H N   1 
ATOM   1661 C  CA  . PRO A 1 218 ? 36.352  61.597 98.979  1.00 48.97 ? 228 PRO H CA  1 
ATOM   1662 C  C   . PRO A 1 218 ? 36.529  63.005 99.515  1.00 48.42 ? 228 PRO H C   1 
ATOM   1663 O  O   . PRO A 1 218 ? 36.828  63.907 98.752  1.00 44.98 ? 228 PRO H O   1 
ATOM   1664 C  CB  . PRO A 1 218 ? 37.699  60.866 98.971  1.00 55.54 ? 228 PRO H CB  1 
ATOM   1665 C  CG  . PRO A 1 218 ? 38.315  61.281 97.640  1.00 54.70 ? 228 PRO H CG  1 
ATOM   1666 C  CD  . PRO A 1 218 ? 37.142  61.418 96.681  1.00 47.60 ? 228 PRO H CD  1 
ATOM   1667 N  N   . LYS A 1 219 ? 36.361  63.136 100.835 1.00 44.88 ? 229 LYS H N   1 
ATOM   1668 C  CA  . LYS A 1 219 ? 36.545  64.394 101.553 1.00 46.58 ? 229 LYS H CA  1 
ATOM   1669 C  C   . LYS A 1 219 ? 37.950  64.490 102.158 1.00 43.06 ? 229 LYS H C   1 
ATOM   1670 O  O   . LYS A 1 219 ? 38.488  63.510 102.673 1.00 43.93 ? 229 LYS H O   1 
ATOM   1671 C  CB  . LYS A 1 219 ? 35.466  64.496 102.636 1.00 46.98 ? 229 LYS H CB  1 
ATOM   1672 C  CG  . LYS A 1 219 ? 34.049  64.601 102.087 1.00 49.89 ? 229 LYS H CG  1 
ATOM   1673 C  CD  . LYS A 1 219 ? 33.793  65.884 101.306 1.00 58.46 ? 229 LYS H CD  1 
ATOM   1674 C  CE  . LYS A 1 219 ? 32.386  65.983 100.743 1.00 66.03 ? 229 LYS H CE  1 
ATOM   1675 N  NZ  . LYS A 1 219 ? 32.155  65.035 99.623  1.00 69.77 ? 229 LYS H NZ  1 
ATOM   1676 N  N   . SER A 1 220 ? 38.552  65.685 102.065 1.00 38.48 ? 230 SER H N   1 
ATOM   1677 C  CA  . SER A 1 220 ? 39.837  65.958 102.688 1.00 37.76 ? 230 SER H CA  1 
ATOM   1678 C  C   . SER A 1 220 ? 39.784  67.323 103.380 1.00 38.57 ? 230 SER H C   1 
ATOM   1679 O  O   . SER A 1 220 ? 39.014  68.194 102.974 1.00 40.70 ? 230 SER H O   1 
ATOM   1680 C  CB  . SER A 1 220 ? 40.966  65.879 101.669 1.00 41.25 ? 230 SER H CB  1 
ATOM   1681 O  OG  . SER A 1 220 ? 42.251  66.069 102.285 1.00 35.67 ? 230 SER H OG  1 
ATOM   1682 N  N   . CYS A 1 221 ? 40.571  67.466 104.453 1.00 39.70 ? 231 CYS H N   1 
ATOM   1683 C  CA  . CYS A 1 221 ? 40.763  68.741 105.148 1.00 39.47 ? 231 CYS H CA  1 
ATOM   1684 C  C   . CYS A 1 221 ? 41.937  69.541 104.560 1.00 44.94 ? 231 CYS H C   1 
ATOM   1685 O  O   . CYS A 1 221 ? 42.602  68.999 103.653 1.00 47.35 ? 231 CYS H O   1 
ATOM   1686 C  CB  . CYS A 1 221 ? 41.043  68.508 106.630 1.00 37.16 ? 231 CYS H CB  1 
ATOM   1687 S  SG  . CYS A 1 221 ? 39.649  67.809 107.559 1.00 40.40 ? 231 CYS H SG  1 
ATOM   1688 N  N   . GLU B 2 1   ? -3.358  17.224 101.201 1.00 26.44 ? 1   GLU L N   1 
ATOM   1689 C  CA  . GLU B 2 1   ? -1.955  17.360 100.753 1.00 20.14 ? 1   GLU L CA  1 
ATOM   1690 C  C   . GLU B 2 1   ? -1.056  16.624 101.742 1.00 18.14 ? 1   GLU L C   1 
ATOM   1691 O  O   . GLU B 2 1   ? -1.451  16.361 102.874 1.00 21.94 ? 1   GLU L O   1 
ATOM   1692 C  CB  . GLU B 2 1   ? -1.603  18.843 100.568 1.00 22.50 ? 1   GLU L CB  1 
ATOM   1693 C  CG  . GLU B 2 1   ? -1.327  19.626 101.839 1.00 24.59 ? 1   GLU L CG  1 
ATOM   1694 C  CD  . GLU B 2 1   ? -0.630  20.976 101.700 1.00 25.78 ? 1   GLU L CD  1 
ATOM   1695 O  OE1 . GLU B 2 1   ? -0.503  21.500 100.535 1.00 26.00 ? 1   GLU L OE1 1 
ATOM   1696 O  OE2 . GLU B 2 1   ? -0.187  21.547 102.771 1.00 25.76 ? 1   GLU L OE2 1 
ATOM   1697 N  N   . ILE B 2 2   ? 0.150   16.297 101.295 1.00 14.44 ? 2   ILE L N   1 
ATOM   1698 C  CA  . ILE B 2 2   ? 1.199   15.834 102.186 1.00 13.95 ? 2   ILE L CA  1 
ATOM   1699 C  C   . ILE B 2 2   ? 1.867   17.067 102.762 1.00 14.27 ? 2   ILE L C   1 
ATOM   1700 O  O   . ILE B 2 2   ? 2.375   17.938 102.010 1.00 16.46 ? 2   ILE L O   1 
ATOM   1701 C  CB  . ILE B 2 2   ? 2.197   14.922 101.464 1.00 13.03 ? 2   ILE L CB  1 
ATOM   1702 C  CG1 . ILE B 2 2   ? 1.505   13.735 100.783 1.00 15.86 ? 2   ILE L CG1 1 
ATOM   1703 C  CG2 . ILE B 2 2   ? 3.315   14.486 102.421 1.00 12.95 ? 2   ILE L CG2 1 
ATOM   1704 C  CD1 . ILE B 2 2   ? 2.439   12.853 99.996  1.00 16.72 ? 2   ILE L CD1 1 
ATOM   1705 N  N   . VAL B 2 3   ? 1.839   17.167 104.106 1.00 12.48 ? 3   VAL L N   1 
ATOM   1706 C  CA  . VAL B 2 3   ? 2.472   18.283 104.777 1.00 12.10 ? 3   VAL L CA  1 
ATOM   1707 C  C   . VAL B 2 3   ? 3.853   17.827 105.209 1.00 9.96  ? 3   VAL L C   1 
ATOM   1708 O  O   . VAL B 2 3   ? 3.996   16.763 105.842 1.00 11.05 ? 3   VAL L O   1 
ATOM   1709 C  CB  . VAL B 2 3   ? 1.659   18.759 105.996 1.00 13.75 ? 3   VAL L CB  1 
ATOM   1710 C  CG1 . VAL B 2 3   ? 2.386   19.846 106.777 1.00 15.86 ? 3   VAL L CG1 1 
ATOM   1711 C  CG2 . VAL B 2 3   ? 0.280   19.233 105.603 1.00 15.82 ? 3   VAL L CG2 1 
ATOM   1712 N  N   . LEU B 2 4   ? 4.844   18.637 104.863 1.00 9.33  ? 4   LEU L N   1 
ATOM   1713 C  CA  . LEU B 2 4   ? 6.203   18.420 105.296 1.00 9.02  ? 4   LEU L CA  1 
ATOM   1714 C  C   . LEU B 2 4   ? 6.554   19.444 106.359 1.00 9.16  ? 4   LEU L C   1 
ATOM   1715 O  O   . LEU B 2 4   ? 6.404   20.644 106.196 1.00 11.50 ? 4   LEU L O   1 
ATOM   1716 C  CB  . LEU B 2 4   ? 7.183   18.541 104.126 1.00 8.80  ? 4   LEU L CB  1 
ATOM   1717 C  CG  . LEU B 2 4   ? 6.991   17.560 102.986 1.00 9.82  ? 4   LEU L CG  1 
ATOM   1718 C  CD1 . LEU B 2 4   ? 8.082   17.760 101.925 1.00 9.47  ? 4   LEU L CD1 1 
ATOM   1719 C  CD2 . LEU B 2 4   ? 6.963   16.138 103.422 1.00 11.00 ? 4   LEU L CD2 1 
ATOM   1720 N  N   . THR B 2 5   ? 7.070   18.942 107.473 1.00 8.18  ? 5   THR L N   1 
ATOM   1721 C  CA  . THR B 2 5   ? 7.491   19.768 108.588 1.00 9.07  ? 5   THR L CA  1 
ATOM   1722 C  C   . THR B 2 5   ? 8.978   19.591 108.825 1.00 8.66  ? 5   THR L C   1 
ATOM   1723 O  O   . THR B 2 5   ? 9.421   18.484 109.083 1.00 8.97  ? 5   THR L O   1 
ATOM   1724 C  CB  . THR B 2 5   ? 6.688   19.402 109.855 1.00 10.12 ? 5   THR L CB  1 
ATOM   1725 O  OG1 . THR B 2 5   ? 5.274   19.522 109.620 1.00 12.17 ? 5   THR L OG1 1 
ATOM   1726 C  CG2 . THR B 2 5   ? 7.076   20.307 110.989 1.00 11.53 ? 5   THR L CG2 1 
ATOM   1727 N  N   . GLN B 2 6   ? 9.732   20.689 108.717 1.00 7.87  ? 6   GLN L N   1 
ATOM   1728 C  CA  . GLN B 2 6   ? 11.169  20.664 108.904 1.00 8.13  ? 6   GLN L CA  1 
ATOM   1729 C  C   . GLN B 2 6   ? 11.515  21.071 110.343 1.00 8.07  ? 6   GLN L C   1 
ATOM   1730 O  O   . GLN B 2 6   ? 10.817  21.867 110.951 1.00 10.63 ? 6   GLN L O   1 
ATOM   1731 C  CB  . GLN B 2 6   ? 11.849  21.573 107.888 1.00 7.92  ? 6   GLN L CB  1 
ATOM   1732 C  CG  . GLN B 2 6   ? 11.783  20.938 106.493 1.00 7.75  ? 6   GLN L CG  1 
ATOM   1733 C  CD  . GLN B 2 6   ? 12.507  21.769 105.458 1.00 7.51  ? 6   GLN L CD  1 
ATOM   1734 O  OE1 . GLN B 2 6   ? 11.888  22.360 104.557 1.00 8.33  ? 6   GLN L OE1 1 
ATOM   1735 N  NE2 . GLN B 2 6   ? 13.794  21.801 105.567 1.00 7.62  ? 6   GLN L NE2 1 
ATOM   1736 N  N   . SER B 2 7   ? 12.606  20.491 110.820 1.00 8.47  ? 7   SER L N   1 
ATOM   1737 C  CA  A SER B 2 7   ? 13.158  20.807 112.129 0.25 8.39  ? 7   SER L CA  1 
ATOM   1738 C  CA  B SER B 2 7   ? 13.164  20.860 112.108 0.25 8.09  ? 7   SER L CA  1 
ATOM   1739 C  CA  C SER B 2 7   ? 13.169  20.793 112.135 0.50 8.76  ? 7   SER L CA  1 
ATOM   1740 C  C   . SER B 2 7   ? 14.671  20.728 112.020 1.00 8.51  ? 7   SER L C   1 
ATOM   1741 O  O   . SER B 2 7   ? 15.179  19.891 111.264 1.00 9.00  ? 7   SER L O   1 
ATOM   1742 C  CB  A SER B 2 7   ? 12.614  19.824 113.142 0.25 8.99  ? 7   SER L CB  1 
ATOM   1743 C  CB  B SER B 2 7   ? 12.590  20.001 113.200 0.25 8.23  ? 7   SER L CB  1 
ATOM   1744 C  CB  C SER B 2 7   ? 12.752  19.742 113.122 0.50 10.83 ? 7   SER L CB  1 
ATOM   1745 O  OG  A SER B 2 7   ? 13.189  19.997 114.433 0.25 8.84  ? 7   SER L OG  1 
ATOM   1746 O  OG  B SER B 2 7   ? 12.780  18.611 112.929 0.25 7.74  ? 7   SER L OG  1 
ATOM   1747 O  OG  C SER B 2 7   ? 11.368  19.765 113.336 0.50 16.01 ? 7   SER L OG  1 
ATOM   1748 N  N   . PRO B 2 8   ? 15.430  21.541 112.756 1.00 8.89  ? 8   PRO L N   1 
ATOM   1749 C  CA  . PRO B 2 8   ? 14.929  22.679 113.525 1.00 8.76  ? 8   PRO L CA  1 
ATOM   1750 C  C   . PRO B 2 8   ? 14.550  23.825 112.602 1.00 9.56  ? 8   PRO L C   1 
ATOM   1751 O  O   . PRO B 2 8   ? 14.821  23.777 111.400 1.00 11.18 ? 8   PRO L O   1 
ATOM   1752 C  CB  . PRO B 2 8   ? 16.164  23.055 114.362 1.00 9.13  ? 8   PRO L CB  1 
ATOM   1753 C  CG  . PRO B 2 8   ? 17.328  22.708 113.459 1.00 10.19 ? 8   PRO L CG  1 
ATOM   1754 C  CD  . PRO B 2 8   ? 16.876  21.451 112.758 1.00 9.51  ? 8   PRO L CD  1 
ATOM   1755 N  N   . GLY B 2 9   ? 13.959  24.888 113.101 1.00 9.69  ? 9   GLY L N   1 
ATOM   1756 C  CA  . GLY B 2 9   ? 13.731  26.051 112.265 1.00 9.47  ? 9   GLY L CA  1 
ATOM   1757 C  C   . GLY B 2 9   ? 15.012  26.781 111.909 1.00 9.09  ? 9   GLY L C   1 
ATOM   1758 O  O   . GLY B 2 9   ? 15.170  27.285 110.806 1.00 9.40  ? 9   GLY L O   1 
ATOM   1759 N  N   . THR B 2 10  ? 15.920  26.872 112.885 1.00 9.08  ? 10  THR L N   1 
ATOM   1760 C  CA  . THR B 2 10  ? 17.208  27.505 112.748 1.00 9.40  ? 10  THR L CA  1 
ATOM   1761 C  C   . THR B 2 10  ? 18.268  26.612 113.352 1.00 9.39  ? 10  THR L C   1 
ATOM   1762 O  O   . THR B 2 10  ? 18.040  26.013 114.395 1.00 10.53 ? 10  THR L O   1 
ATOM   1763 C  CB  A THR B 2 10  ? 17.241  28.883 113.446 0.50 11.59 ? 10  THR L CB  1 
ATOM   1764 C  CB  B THR B 2 10  ? 17.228  28.904 113.392 0.50 10.68 ? 10  THR L CB  1 
ATOM   1765 O  OG1 A THR B 2 10  ? 17.061  28.736 114.865 0.50 15.29 ? 10  THR L OG1 1 
ATOM   1766 O  OG1 B THR B 2 10  ? 16.166  29.661 112.808 0.50 13.56 ? 10  THR L OG1 1 
ATOM   1767 C  CG2 A THR B 2 10  ? 16.241  29.853 112.849 0.50 12.74 ? 10  THR L CG2 1 
ATOM   1768 C  CG2 B THR B 2 10  ? 18.557  29.607 113.177 0.50 11.41 ? 10  THR L CG2 1 
ATOM   1769 N  N   . LEU B 2 11  ? 19.422  26.536 112.720 1.00 9.50  ? 11  LEU L N   1 
ATOM   1770 C  CA  . LEU B 2 11  ? 20.536  25.703 113.112 1.00 9.04  ? 11  LEU L CA  1 
ATOM   1771 C  C   . LEU B 2 11  ? 21.791  26.525 112.948 1.00 9.27  ? 11  LEU L C   1 
ATOM   1772 O  O   . LEU B 2 11  ? 22.023  27.115 111.893 1.00 10.77 ? 11  LEU L O   1 
ATOM   1773 C  CB  . LEU B 2 11  ? 20.589  24.438 112.241 1.00 9.08  ? 11  LEU L CB  1 
ATOM   1774 C  CG  . LEU B 2 11  ? 21.680  23.421 112.551 1.00 9.09  ? 11  LEU L CG  1 
ATOM   1775 C  CD1 . LEU B 2 11  ? 21.630  22.983 114.007 1.00 10.07 ? 11  LEU L CD1 1 
ATOM   1776 C  CD2 . LEU B 2 11  ? 21.575  22.215 111.629 1.00 9.64  ? 11  LEU L CD2 1 
ATOM   1777 N  N   . SER B 2 12  ? 22.599  26.659 113.999 1.00 9.64  ? 12  SER L N   1 
ATOM   1778 C  CA  . SER B 2 12  ? 23.785  27.459 114.005 1.00 9.39  ? 12  SER L CA  1 
ATOM   1779 C  C   . SER B 2 12  ? 24.962  26.610 114.423 1.00 8.97  ? 12  SER L C   1 
ATOM   1780 O  O   . SER B 2 12  ? 24.957  26.124 115.574 1.00 9.66  ? 12  SER L O   1 
ATOM   1781 C  CB  A SER B 2 12  ? 23.645  28.679 114.888 0.50 10.52 ? 12  SER L CB  1 
ATOM   1782 C  CB  B SER B 2 12  ? 23.597  28.660 114.863 0.50 9.27  ? 12  SER L CB  1 
ATOM   1783 O  OG  A SER B 2 12  ? 24.827  29.497 114.895 0.50 12.89 ? 12  SER L OG  1 
ATOM   1784 O  OG  B SER B 2 12  ? 22.448  29.386 114.436 0.50 9.45  ? 12  SER L OG  1 
ATOM   1785 N  N   . LEU B 2 13  ? 25.927  26.371 113.536 1.00 8.18  ? 13  LEU L N   1 
ATOM   1786 C  CA  . LEU B 2 13  ? 27.025  25.447 113.732 1.00 7.85  ? 13  LEU L CA  1 
ATOM   1787 C  C   . LEU B 2 13  ? 28.307  26.009 113.143 1.00 7.72  ? 13  LEU L C   1 
ATOM   1788 O  O   . LEU B 2 13  ? 28.238  26.899 112.291 1.00 9.46  ? 13  LEU L O   1 
ATOM   1789 C  CB  . LEU B 2 13  ? 26.720  24.081 113.130 1.00 7.43  ? 13  LEU L CB  1 
ATOM   1790 C  CG  . LEU B 2 13  ? 25.620  23.251 113.787 1.00 7.60  ? 13  LEU L CG  1 
ATOM   1791 C  CD1 . LEU B 2 13  ? 25.279  22.060 112.901 1.00 8.03  ? 13  LEU L CD1 1 
ATOM   1792 C  CD2 . LEU B 2 13  ? 26.033  22.794 115.162 1.00 8.15  ? 13  LEU L CD2 1 
ATOM   1793 N  N   . SER B 2 14  ? 29.464  25.516 113.614 1.00 8.55  ? 14  SER L N   1 
ATOM   1794 C  CA  . SER B 2 14  ? 30.761  25.992 113.174 1.00 8.72  ? 14  SER L CA  1 
ATOM   1795 C  C   . SER B 2 14  ? 31.318  25.158 112.028 1.00 8.46  ? 14  SER L C   1 
ATOM   1796 O  O   . SER B 2 14  ? 30.990  23.982 111.884 1.00 8.31  ? 14  SER L O   1 
ATOM   1797 C  CB  . SER B 2 14  ? 31.743  25.933 114.363 1.00 10.51 ? 14  SER L CB  1 
ATOM   1798 O  OG  . SER B 2 14  ? 31.322  26.806 115.393 1.00 14.91 ? 14  SER L OG  1 
ATOM   1799 N  N   . PRO B 2 15  ? 32.279  25.718 111.251 1.00 8.71  ? 15  PRO L N   1 
ATOM   1800 C  CA  . PRO B 2 15  ? 32.983  24.910 110.259 1.00 9.37  ? 15  PRO L CA  1 
ATOM   1801 C  C   . PRO B 2 15  ? 33.574  23.652 110.866 1.00 8.99  ? 15  PRO L C   1 
ATOM   1802 O  O   . PRO B 2 15  ? 34.112  23.688 111.969 1.00 10.18 ? 15  PRO L O   1 
ATOM   1803 C  CB  . PRO B 2 15  ? 34.024  25.870 109.694 1.00 11.66 ? 15  PRO L CB  1 
ATOM   1804 C  CG  . PRO B 2 15  ? 33.393  27.211 109.905 1.00 11.82 ? 15  PRO L CG  1 
ATOM   1805 C  CD  . PRO B 2 15  ? 32.701  27.106 111.250 1.00 10.51 ? 15  PRO L CD  1 
ATOM   1806 N  N   . GLY B 2 16  ? 33.446  22.541 110.155 1.00 8.59  ? 16  GLY L N   1 
ATOM   1807 C  CA  . GLY B 2 16  ? 33.918  21.251 110.632 1.00 9.00  ? 16  GLY L CA  1 
ATOM   1808 C  C   . GLY B 2 16  ? 32.822  20.420 111.274 1.00 8.57  ? 16  GLY L C   1 
ATOM   1809 O  O   . GLY B 2 16  ? 32.935  19.202 111.396 1.00 9.60  ? 16  GLY L O   1 
ATOM   1810 N  N   . ASP B 2 17  ? 31.778  21.103 111.755 1.00 7.69  ? 17  ASP L N   1 
ATOM   1811 C  CA  . ASP B 2 17  ? 30.716  20.429 112.447 1.00 7.25  ? 17  ASP L CA  1 
ATOM   1812 C  C   . ASP B 2 17  ? 29.829  19.640 111.497 1.00 6.89  ? 17  ASP L C   1 
ATOM   1813 O  O   . ASP B 2 17  ? 29.773  19.938 110.268 1.00 8.29  ? 17  ASP L O   1 
ATOM   1814 C  CB  . ASP B 2 17  ? 29.821  21.423 113.192 1.00 7.53  ? 17  ASP L CB  1 
ATOM   1815 C  CG  . ASP B 2 17  ? 30.473  22.126 114.383 1.00 7.81  ? 17  ASP L CG  1 
ATOM   1816 O  OD1 . ASP B 2 17  ? 31.621  21.746 114.725 1.00 9.06  ? 17  ASP L OD1 1 
ATOM   1817 O  OD2 . ASP B 2 17  ? 29.821  23.040 114.921 1.00 9.64  ? 17  ASP L OD2 1 
ATOM   1818 N  N   . ARG B 2 18  ? 29.142  18.636 112.006 1.00 6.54  ? 18  ARG L N   1 
ATOM   1819 C  CA  . ARG B 2 18  ? 28.149  17.876 111.246 1.00 6.89  ? 18  ARG L CA  1 
ATOM   1820 C  C   . ARG B 2 18  ? 26.789  18.499 111.439 1.00 6.87  ? 18  ARG L C   1 
ATOM   1821 O  O   . ARG B 2 18  ? 26.307  18.588 112.578 1.00 7.60  ? 18  ARG L O   1 
ATOM   1822 C  CB  . ARG B 2 18  ? 28.107  16.437 111.742 1.00 6.99  ? 18  ARG L CB  1 
ATOM   1823 C  CG  . ARG B 2 18  ? 27.095  15.511 111.058 1.00 7.12  ? 18  ARG L CG  1 
ATOM   1824 C  CD  . ARG B 2 18  ? 27.115  14.131 111.671 1.00 7.27  ? 18  ARG L CD  1 
ATOM   1825 N  NE  . ARG B 2 18  ? 26.140  13.239 111.088 1.00 7.17  ? 18  ARG L NE  1 
ATOM   1826 C  CZ  . ARG B 2 18  ? 26.292  12.528 109.984 1.00 7.62  ? 18  ARG L CZ  1 
ATOM   1827 N  NH1 . ARG B 2 18  ? 27.439  12.572 109.329 1.00 7.48  ? 18  ARG L NH1 1 
ATOM   1828 N  NH2 . ARG B 2 18  ? 25.280  11.761 109.588 1.00 8.13  ? 18  ARG L NH2 1 
ATOM   1829 N  N   . ALA B 2 19  ? 26.105  18.904 110.357 1.00 7.06  ? 19  ALA L N   1 
ATOM   1830 C  CA  . ALA B 2 19  ? 24.811  19.534 110.390 1.00 7.10  ? 19  ALA L CA  1 
ATOM   1831 C  C   . ALA B 2 19  ? 23.755  18.533 109.961 1.00 6.49  ? 19  ALA L C   1 
ATOM   1832 O  O   . ALA B 2 19  ? 23.901  17.951 108.889 1.00 7.63  ? 19  ALA L O   1 
ATOM   1833 C  CB  . ALA B 2 19  ? 24.764  20.763 109.493 1.00 6.88  ? 19  ALA L CB  1 
ATOM   1834 N  N   . THR B 2 20  ? 22.669  18.394 110.719 1.00 6.49  ? 20  THR L N   1 
ATOM   1835 C  CA  . THR B 2 20  ? 21.565  17.505 110.423 1.00 6.50  ? 20  THR L CA  1 
ATOM   1836 C  C   . THR B 2 20  ? 20.266  18.289 110.324 1.00 6.80  ? 20  THR L C   1 
ATOM   1837 O  O   . THR B 2 20  ? 19.866  19.005 111.231 1.00 7.62  ? 20  THR L O   1 
ATOM   1838 C  CB  . THR B 2 20  ? 21.431  16.411 111.490 1.00 6.96  ? 20  THR L CB  1 
ATOM   1839 O  OG1 . THR B 2 20  ? 22.680  15.726 111.620 1.00 7.66  ? 20  THR L OG1 1 
ATOM   1840 C  CG2 . THR B 2 20  ? 20.277  15.486 111.199 1.00 8.09  ? 20  THR L CG2 1 
ATOM   1841 N  N   . HIS B 2 21  ? 19.580  18.167 109.169 1.00 6.71  ? 21  HIS L N   1 
ATOM   1842 C  CA  . HIS B 2 21  ? 18.335  18.814 108.860 1.00 6.47  ? 21  HIS L CA  1 
ATOM   1843 C  C   . HIS B 2 21  ? 17.268  17.752 108.706 1.00 6.47  ? 21  HIS L C   1 
ATOM   1844 O  O   . HIS B 2 21  ? 17.437  16.842 107.896 1.00 7.12  ? 21  HIS L O   1 
ATOM   1845 C  CB  . HIS B 2 21  ? 18.464  19.637 107.558 1.00 6.74  ? 21  HIS L CB  1 
ATOM   1846 C  CG  . HIS B 2 21  ? 19.649  20.552 107.504 1.00 7.17  ? 21  HIS L CG  1 
ATOM   1847 N  ND1 . HIS B 2 21  ? 20.921  20.107 107.165 1.00 7.53  ? 21  HIS L ND1 1 
ATOM   1848 C  CD2 . HIS B 2 21  ? 19.777  21.893 107.683 1.00 8.97  ? 21  HIS L CD2 1 
ATOM   1849 C  CE1 . HIS B 2 21  ? 21.758  21.141 107.171 1.00 8.20  ? 21  HIS L CE1 1 
ATOM   1850 N  NE2 . HIS B 2 21  ? 21.103  22.230 107.519 1.00 9.47  ? 21  HIS L NE2 1 
ATOM   1851 N  N   . SER B 2 22  ? 16.172  17.837 109.462 1.00 6.62  ? 22  SER L N   1 
ATOM   1852 C  CA  . SER B 2 22  ? 15.129  16.811 109.450 1.00 6.72  ? 22  SER L CA  1 
ATOM   1853 C  C   . SER B 2 22  ? 13.896  17.313 108.677 1.00 7.03  ? 22  SER L C   1 
ATOM   1854 O  O   . SER B 2 22  ? 13.539  18.491 108.708 1.00 7.44  ? 22  SER L O   1 
ATOM   1855 C  CB  . SER B 2 22  ? 14.709  16.422 110.871 1.00 7.86  ? 22  SER L CB  1 
ATOM   1856 O  OG  . SER B 2 22  ? 15.770  15.748 111.521 1.00 8.98  ? 22  SER L OG  1 
ATOM   1857 N  N   . CYS B 2 23  ? 13.226  16.355 108.027 1.00 6.34  ? 23  CYS L N   1 
ATOM   1858 C  CA  . CYS B 2 23  ? 11.998  16.610 107.288 1.00 7.05  ? 23  CYS L CA  1 
ATOM   1859 C  C   . CYS B 2 23  ? 11.029  15.475 107.539 1.00 7.17  ? 23  CYS L C   1 
ATOM   1860 O  O   . CYS B 2 23  ? 11.334  14.330 107.218 1.00 9.37  ? 23  CYS L O   1 
ATOM   1861 C  CB  . CYS B 2 23  ? 12.340  16.706 105.799 1.00 7.64  ? 23  CYS L CB  1 
ATOM   1862 S  SG  . CYS B 2 23  ? 10.935  16.941 104.676 1.00 9.73  ? 23  CYS L SG  1 
ATOM   1863 N  N   . ARG B 2 24  ? 9.901   15.792 108.174 1.00 8.09  ? 24  ARG L N   1 
ATOM   1864 C  CA  . ARG B 2 24  ? 8.883   14.813 108.523 1.00 7.83  ? 24  ARG L CA  1 
ATOM   1865 C  C   . ARG B 2 24  ? 7.677   15.011 107.601 1.00 8.57  ? 24  ARG L C   1 
ATOM   1866 O  O   . ARG B 2 24  ? 7.225   16.114 107.362 1.00 10.56 ? 24  ARG L O   1 
ATOM   1867 C  CB  . ARG B 2 24  ? 8.459   14.938 110.004 1.00 9.43  ? 24  ARG L CB  1 
ATOM   1868 C  CG  . ARG B 2 24  ? 9.540   14.405 110.900 1.00 10.13 ? 24  ARG L CG  1 
ATOM   1869 C  CD  . ARG B 2 24  ? 9.166   14.480 112.352 1.00 11.04 ? 24  ARG L CD  1 
ATOM   1870 N  NE  . ARG B 2 24  ? 10.150  13.849 113.258 1.00 12.30 ? 24  ARG L NE  1 
ATOM   1871 C  CZ  . ARG B 2 24  ? 11.293  14.403 113.624 1.00 12.54 ? 24  ARG L CZ  1 
ATOM   1872 N  NH1 . ARG B 2 24  ? 11.635  15.612 113.192 1.00 12.70 ? 24  ARG L NH1 1 
ATOM   1873 N  NH2 . ARG B 2 24  ? 12.077  13.762 114.465 1.00 12.73 ? 24  ARG L NH2 1 
ATOM   1874 N  N   . ALA B 2 25  ? 7.116   13.900 107.159 1.00 8.71  ? 25  ALA L N   1 
ATOM   1875 C  CA  . ALA B 2 25  ? 5.946   13.922 106.294 1.00 9.35  ? 25  ALA L CA  1 
ATOM   1876 C  C   . ALA B 2 25  ? 4.713   13.404 107.014 1.00 10.43 ? 25  ALA L C   1 
ATOM   1877 O  O   . ALA B 2 25  ? 4.811   12.453 107.806 1.00 10.99 ? 25  ALA L O   1 
ATOM   1878 C  CB  . ALA B 2 25  ? 6.208   13.093 105.040 1.00 9.45  ? 25  ALA L CB  1 
ATOM   1879 N  N   . SER B 2 26  ? 3.560   14.006 106.714 1.00 10.43 ? 26  SER L N   1 
ATOM   1880 C  CA  . SER B 2 26  ? 2.282   13.640 107.312 1.00 12.16 ? 26  SER L CA  1 
ATOM   1881 C  C   . SER B 2 26  ? 1.746   12.280 106.854 1.00 13.41 ? 26  SER L C   1 
ATOM   1882 O  O   . SER B 2 26  ? 0.809   11.730 107.442 1.00 17.37 ? 26  SER L O   1 
ATOM   1883 C  CB  . SER B 2 26  ? 1.240   14.718 107.076 1.00 12.26 ? 26  SER L CB  1 
ATOM   1884 O  OG  . SER B 2 26  ? 0.963   14.918 105.708 1.00 14.05 ? 26  SER L OG  1 
ATOM   1885 N  N   . GLN B 2 27  ? 2.259   11.823 105.714 1.00 12.91 ? 27  GLN L N   1 
ATOM   1886 C  CA  . GLN B 2 27  ? 1.989   10.478 105.227 1.00 14.97 ? 27  GLN L CA  1 
ATOM   1887 C  C   . GLN B 2 27  ? 3.229   9.992  104.502 1.00 12.87 ? 27  GLN L C   1 
ATOM   1888 O  O   . GLN B 2 27  ? 4.081   10.791 104.183 1.00 13.08 ? 27  GLN L O   1 
ATOM   1889 C  CB  . GLN B 2 27  ? 0.768   10.391 104.339 1.00 21.15 ? 27  GLN L CB  1 
ATOM   1890 C  CG  . GLN B 2 27  ? 0.704   11.402 103.246 1.00 25.64 ? 27  GLN L CG  1 
ATOM   1891 C  CD  . GLN B 2 27  ? -0.595  11.323 102.453 1.00 29.06 ? 27  GLN L CD  1 
ATOM   1892 O  OE1 . GLN B 2 27  ? -0.755  10.491 101.570 1.00 33.18 ? 27  GLN L OE1 1 
ATOM   1893 N  NE2 . GLN B 2 27  ? -1.531  12.210 102.740 1.00 29.67 ? 27  GLN L NE2 1 
ATOM   1894 N  N   . SER B 2 28  ? 3.338   8.673  104.319 1.00 14.43 ? 28  SER L N   1 
ATOM   1895 C  CA  A SER B 2 28  ? 4.520   8.083  103.726 0.50 14.44 ? 28  SER L CA  1 
ATOM   1896 C  CA  B SER B 2 28  ? 4.517   8.076  103.713 0.50 15.25 ? 28  SER L CA  1 
ATOM   1897 C  C   . SER B 2 28  ? 4.762   8.661  102.325 1.00 14.21 ? 28  SER L C   1 
ATOM   1898 O  O   . SER B 2 28  ? 3.820   8.828  101.520 1.00 16.56 ? 28  SER L O   1 
ATOM   1899 C  CB  A SER B 2 28  ? 4.371   6.590  103.697 0.50 16.66 ? 28  SER L CB  1 
ATOM   1900 C  CB  B SER B 2 28  ? 4.399   6.585  103.602 0.50 18.38 ? 28  SER L CB  1 
ATOM   1901 O  OG  A SER B 2 28  ? 5.578   5.968  103.337 0.50 18.32 ? 28  SER L OG  1 
ATOM   1902 O  OG  B SER B 2 28  ? 4.364   5.994  104.878 0.50 24.10 ? 28  SER L OG  1 
ATOM   1903 N  N   . VAL B 2 29  ? 6.032   8.930  102.052 1.00 12.57 ? 29  VAL L N   1 
ATOM   1904 C  CA  . VAL B 2 29  ? 6.549   9.364  100.763 1.00 13.06 ? 29  VAL L CA  1 
ATOM   1905 C  C   . VAL B 2 29  ? 7.569   8.301  100.348 1.00 14.90 ? 29  VAL L C   1 
ATOM   1906 O  O   . VAL B 2 29  ? 8.498   7.991  101.077 1.00 17.51 ? 29  VAL L O   1 
ATOM   1907 C  CB  . VAL B 2 29  ? 7.260   10.748 100.865 1.00 13.52 ? 29  VAL L CB  1 
ATOM   1908 C  CG1 . VAL B 2 29  ? 7.861   11.187 99.544  1.00 15.27 ? 29  VAL L CG1 1 
ATOM   1909 C  CG2 . VAL B 2 29  ? 6.311   11.831 101.443 1.00 15.77 ? 29  VAL L CG2 1 
ATOM   1910 N  N   . SER B 2 30  ? 7.436   7.809  99.144  1.00 17.35 ? 30  SER L N   1 
ATOM   1911 C  CA  . SER B 2 30  ? 8.437   6.960  98.496  1.00 17.56 ? 30  SER L CA  1 
ATOM   1912 C  C   . SER B 2 30  ? 9.765   7.699  98.379  1.00 17.37 ? 30  SER L C   1 
ATOM   1913 O  O   . SER B 2 30  ? 9.790   8.885  98.104  1.00 16.63 ? 30  SER L O   1 
ATOM   1914 C  CB  A SER B 2 30  ? 7.949   6.484  97.119  0.50 17.58 ? 30  SER L CB  1 
ATOM   1915 C  CB  B SER B 2 30  ? 7.942   6.542  97.147  0.50 20.34 ? 30  SER L CB  1 
ATOM   1916 O  OG  A SER B 2 30  ? 9.000   5.876  96.383  0.50 17.88 ? 30  SER L OG  1 
ATOM   1917 O  OG  B SER B 2 30  ? 7.397   7.699  96.561  0.50 25.42 ? 30  SER L OG  1 
ATOM   1918 N  N   . ARG B 2 31  ? 10.871  6.985  98.620  1.00 17.69 ? 36  ARG L N   1 
ATOM   1919 C  CA  . ARG B 2 31  ? 12.196  7.566  98.524  1.00 16.77 ? 36  ARG L CA  1 
ATOM   1920 C  C   . ARG B 2 31  ? 12.403  8.227  97.180  1.00 16.93 ? 36  ARG L C   1 
ATOM   1921 O  O   . ARG B 2 31  ? 13.084  9.273  97.072  1.00 16.32 ? 36  ARG L O   1 
ATOM   1922 C  CB  . ARG B 2 31  ? 13.247  6.491  98.774  1.00 18.07 ? 36  ARG L CB  1 
ATOM   1923 C  CG  . ARG B 2 31  ? 13.535  6.255  100.256 1.00 22.16 ? 36  ARG L CG  1 
ATOM   1924 C  CD  . ARG B 2 31  ? 14.396  5.037  100.397 1.00 28.80 ? 36  ARG L CD  1 
ATOM   1925 N  NE  . ARG B 2 31  ? 13.524  3.874  100.346 1.00 33.10 ? 36  ARG L NE  1 
ATOM   1926 C  CZ  . ARG B 2 31  ? 13.597  2.852  101.196 1.00 35.85 ? 36  ARG L CZ  1 
ATOM   1927 N  NH1 . ARG B 2 31  ? 14.597  2.765  102.056 1.00 39.17 ? 36  ARG L NH1 1 
ATOM   1928 N  NH2 . ARG B 2 31  ? 12.644  1.946  101.195 1.00 44.06 ? 36  ARG L NH2 1 
ATOM   1929 N  N   . SER B 2 32  ? 11.831  7.612  96.128  1.00 16.65 ? 37  SER L N   1 
ATOM   1930 C  CA  . SER B 2 32  ? 11.996  8.168  94.799  1.00 17.28 ? 37  SER L CA  1 
ATOM   1931 C  C   . SER B 2 32  ? 11.475  9.584  94.639  1.00 14.62 ? 37  SER L C   1 
ATOM   1932 O  O   . SER B 2 32  ? 11.765  10.185 93.585  1.00 16.39 ? 37  SER L O   1 
ATOM   1933 C  CB  . SER B 2 32  ? 11.313  7.316  93.803  1.00 19.97 ? 37  SER L CB  1 
ATOM   1934 O  OG  . SER B 2 32  ? 11.932  6.048  93.728  1.00 27.83 ? 37  SER L OG  1 
ATOM   1935 N  N   . TYR B 2 33  ? 10.760  10.143 95.657  1.00 14.05 ? 38  TYR L N   1 
ATOM   1936 C  CA  . TYR B 2 33  ? 10.105  11.399 95.433  1.00 12.04 ? 38  TYR L CA  1 
ATOM   1937 C  C   . TYR B 2 33  ? 10.319  12.402 96.562  1.00 9.57  ? 38  TYR L C   1 
ATOM   1938 O  O   . TYR B 2 33  ? 9.417   13.193 96.805  1.00 9.26  ? 38  TYR L O   1 
ATOM   1939 C  CB  . TYR B 2 33  ? 8.624   11.129 95.196  1.00 16.67 ? 38  TYR L CB  1 
ATOM   1940 C  CG  . TYR B 2 33  ? 8.333   10.242 94.018  1.00 20.64 ? 38  TYR L CG  1 
ATOM   1941 C  CD1 . TYR B 2 33  ? 8.451   10.701 92.725  1.00 24.76 ? 38  TYR L CD1 1 
ATOM   1942 C  CD2 . TYR B 2 33  ? 7.926   8.963  94.209  1.00 27.54 ? 38  TYR L CD2 1 
ATOM   1943 C  CE1 . TYR B 2 33  ? 8.217   9.879  91.647  1.00 26.30 ? 38  TYR L CE1 1 
ATOM   1944 C  CE2 . TYR B 2 33  ? 7.622   8.139  93.152  1.00 29.39 ? 38  TYR L CE2 1 
ATOM   1945 C  CZ  . TYR B 2 33  ? 7.794   8.577  91.860  1.00 33.05 ? 38  TYR L CZ  1 
ATOM   1946 O  OH  . TYR B 2 33  ? 7.526   7.646  90.921  1.00 40.50 ? 38  TYR L OH  1 
ATOM   1947 N  N   . LEU B 2 34  ? 11.527  12.436 97.137  1.00 8.99  ? 39  LEU L N   1 
ATOM   1948 C  CA  . LEU B 2 34  ? 11.879  13.452 98.120  1.00 8.29  ? 39  LEU L CA  1 
ATOM   1949 C  C   . LEU B 2 34  ? 13.144  14.177 97.659  1.00 7.68  ? 39  LEU L C   1 
ATOM   1950 O  O   . LEU B 2 34  ? 14.138  13.544 97.294  1.00 9.67  ? 39  LEU L O   1 
ATOM   1951 C  CB  . LEU B 2 34  ? 12.088  12.754 99.481  1.00 9.86  ? 39  LEU L CB  1 
ATOM   1952 C  CG  . LEU B 2 34  ? 12.018  13.568 100.779 1.00 11.93 ? 39  LEU L CG  1 
ATOM   1953 C  CD1 . LEU B 2 34  ? 13.223  14.457 100.974 1.00 11.61 ? 39  LEU L CD1 1 
ATOM   1954 C  CD2 . LEU B 2 34  ? 10.754  14.370 100.930 1.00 12.27 ? 39  LEU L CD2 1 
ATOM   1955 N  N   . ALA B 2 35  ? 13.065  15.520 97.596  1.00 7.37  ? 40  ALA L N   1 
ATOM   1956 C  CA  . ALA B 2 35  ? 14.177  16.355 97.170  1.00 7.49  ? 40  ALA L CA  1 
ATOM   1957 C  C   . ALA B 2 35  ? 14.579  17.335 98.289  1.00 7.07  ? 40  ALA L C   1 
ATOM   1958 O  O   . ALA B 2 35  ? 13.739  17.692 99.129  1.00 8.03  ? 40  ALA L O   1 
ATOM   1959 C  CB  . ALA B 2 35  ? 13.825  17.133 95.895  1.00 8.62  ? 40  ALA L CB  1 
ATOM   1960 N  N   . TRP B 2 36  ? 15.823  17.784 98.207  1.00 6.57  ? 41  TRP L N   1 
ATOM   1961 C  CA  . TRP B 2 36  ? 16.330  18.868 99.012  1.00 6.30  ? 41  TRP L CA  1 
ATOM   1962 C  C   . TRP B 2 36  ? 16.972  19.960 98.166  1.00 6.42  ? 41  TRP L C   1 
ATOM   1963 O  O   . TRP B 2 36  ? 17.711  19.639 97.207  1.00 7.17  ? 41  TRP L O   1 
ATOM   1964 C  CB  . TRP B 2 36  ? 17.398  18.392 100.010 1.00 6.62  ? 41  TRP L CB  1 
ATOM   1965 C  CG  . TRP B 2 36  ? 16.929  17.446 101.061 1.00 6.96  ? 41  TRP L CG  1 
ATOM   1966 C  CD1 . TRP B 2 36  ? 16.873  16.095 101.021 1.00 7.11  ? 41  TRP L CD1 1 
ATOM   1967 C  CD2 . TRP B 2 36  ? 16.472  17.851 102.382 1.00 6.73  ? 41  TRP L CD2 1 
ATOM   1968 N  NE1 . TRP B 2 36  ? 16.413  15.582 102.226 1.00 7.07  ? 41  TRP L NE1 1 
ATOM   1969 C  CE2 . TRP B 2 36  ? 16.154  16.648 103.051 1.00 6.81  ? 41  TRP L CE2 1 
ATOM   1970 C  CE3 . TRP B 2 36  ? 16.318  19.085 103.041 1.00 6.82  ? 41  TRP L CE3 1 
ATOM   1971 C  CZ2 . TRP B 2 36  ? 15.728  16.648 104.406 1.00 7.41  ? 41  TRP L CZ2 1 
ATOM   1972 C  CZ3 . TRP B 2 36  ? 15.913  19.064 104.372 1.00 7.45  ? 41  TRP L CZ3 1 
ATOM   1973 C  CH2 . TRP B 2 36  ? 15.589  17.875 104.996 1.00 7.38  ? 41  TRP L CH2 1 
ATOM   1974 N  N   . TYR B 2 37  ? 16.703  21.198 98.531  1.00 6.89  ? 42  TYR L N   1 
ATOM   1975 C  CA  . TYR B 2 37  ? 17.238  22.364 97.878  1.00 6.75  ? 42  TYR L CA  1 
ATOM   1976 C  C   . TYR B 2 37  ? 18.005  23.242 98.847  1.00 6.96  ? 42  TYR L C   1 
ATOM   1977 O  O   . TYR B 2 37  ? 17.608  23.353 100.019 1.00 7.73  ? 42  TYR L O   1 
ATOM   1978 C  CB  . TYR B 2 37  ? 16.099  23.212 97.296  1.00 7.37  ? 42  TYR L CB  1 
ATOM   1979 C  CG  . TYR B 2 37  ? 15.224  22.482 96.314  1.00 7.18  ? 42  TYR L CG  1 
ATOM   1980 C  CD1 . TYR B 2 37  ? 14.139  21.730 96.727  1.00 9.15  ? 42  TYR L CD1 1 
ATOM   1981 C  CD2 . TYR B 2 37  ? 15.513  22.530 94.969  1.00 8.17  ? 42  TYR L CD2 1 
ATOM   1982 C  CE1 . TYR B 2 37  ? 13.335  21.041 95.863  1.00 10.30 ? 42  TYR L CE1 1 
ATOM   1983 C  CE2 . TYR B 2 37  ? 14.722  21.793 94.082  1.00 9.16  ? 42  TYR L CE2 1 
ATOM   1984 C  CZ  . TYR B 2 37  ? 13.641  21.049 94.520  1.00 9.18  ? 42  TYR L CZ  1 
ATOM   1985 O  OH  . TYR B 2 37  ? 12.717  20.395 93.725  1.00 11.19 ? 42  TYR L OH  1 
ATOM   1986 N  N   . GLN B 2 38  ? 19.024  23.916 98.360  1.00 7.32  ? 43  GLN L N   1 
ATOM   1987 C  CA  . GLN B 2 38  ? 19.729  24.977 99.062  1.00 7.66  ? 43  GLN L CA  1 
ATOM   1988 C  C   . GLN B 2 38  ? 19.324  26.317 98.468  1.00 7.35  ? 43  GLN L C   1 
ATOM   1989 O  O   . GLN B 2 38  ? 19.395  26.495 97.233  1.00 8.70  ? 43  GLN L O   1 
ATOM   1990 C  CB  . GLN B 2 38  ? 21.234  24.825 98.885  1.00 8.22  ? 43  GLN L CB  1 
ATOM   1991 C  CG  . GLN B 2 38  ? 22.074  25.851 99.643  1.00 8.24  ? 43  GLN L CG  1 
ATOM   1992 C  CD  . GLN B 2 38  ? 23.509  25.878 99.227  1.00 8.17  ? 43  GLN L CD  1 
ATOM   1993 O  OE1 . GLN B 2 38  ? 23.811  26.345 98.115  1.00 9.11  ? 43  GLN L OE1 1 
ATOM   1994 N  NE2 . GLN B 2 38  ? 24.399  25.407 100.075 1.00 8.25  ? 43  GLN L NE2 1 
ATOM   1995 N  N   . GLN B 2 39  ? 18.895  27.281 99.279  1.00 7.57  ? 44  GLN L N   1 
ATOM   1996 C  CA  . GLN B 2 39  ? 18.630  28.631 98.782  1.00 8.27  ? 44  GLN L CA  1 
ATOM   1997 C  C   . GLN B 2 39  ? 19.462  29.637 99.561  1.00 9.57  ? 44  GLN L C   1 
ATOM   1998 O  O   . GLN B 2 39  ? 19.278  29.795 100.758 1.00 10.23 ? 44  GLN L O   1 
ATOM   1999 C  CB  . GLN B 2 39  ? 17.162  29.015 98.841  1.00 8.73  ? 44  GLN L CB  1 
ATOM   2000 C  CG  . GLN B 2 39  ? 16.913  30.336 98.148  1.00 9.54  ? 44  GLN L CG  1 
ATOM   2001 C  CD  . GLN B 2 39  ? 15.479  30.788 98.214  1.00 9.89  ? 44  GLN L CD  1 
ATOM   2002 O  OE1 . GLN B 2 39  ? 14.753  30.494 99.164  1.00 11.14 ? 44  GLN L OE1 1 
ATOM   2003 N  NE2 . GLN B 2 39  ? 15.063  31.520 97.201  1.00 10.59 ? 44  GLN L NE2 1 
ATOM   2004 N  N   . LYS B 2 40  ? 20.343  30.333 98.861  1.00 11.77 ? 45  LYS L N   1 
ATOM   2005 C  CA  . LYS B 2 40  ? 21.064  31.478 99.373  1.00 14.81 ? 45  LYS L CA  1 
ATOM   2006 C  C   . LYS B 2 40  ? 20.171  32.710 99.281  1.00 15.01 ? 45  LYS L C   1 
ATOM   2007 O  O   . LYS B 2 40  ? 19.286  32.817 98.419  1.00 14.60 ? 45  LYS L O   1 
ATOM   2008 C  CB  . LYS B 2 40  ? 22.289  31.664 98.481  1.00 17.32 ? 45  LYS L CB  1 
ATOM   2009 C  CG  . LYS B 2 40  ? 23.329  30.573 98.432  1.00 19.76 ? 45  LYS L CG  1 
ATOM   2010 C  CD  . LYS B 2 40  ? 24.076  30.686 99.653  1.00 20.72 ? 45  LYS L CD  1 
ATOM   2011 C  CE  . LYS B 2 40  ? 25.279  29.797 99.747  1.00 16.93 ? 45  LYS L CE  1 
ATOM   2012 N  NZ  . LYS B 2 40  ? 26.009  30.201 100.975 1.00 14.72 ? 45  LYS L NZ  1 
ATOM   2013 N  N   . PRO B 2 41  ? 20.431  33.744 100.096 1.00 18.55 ? 46  PRO L N   1 
ATOM   2014 C  CA  . PRO B 2 41  ? 19.600  34.943 100.065 1.00 23.00 ? 46  PRO L CA  1 
ATOM   2015 C  C   . PRO B 2 41  ? 19.504  35.621 98.716  1.00 23.17 ? 46  PRO L C   1 
ATOM   2016 O  O   . PRO B 2 41  ? 20.523  35.933 98.090  1.00 26.11 ? 46  PRO L O   1 
ATOM   2017 C  CB  . PRO B 2 41  ? 20.306  35.871 101.032 1.00 25.67 ? 46  PRO L CB  1 
ATOM   2018 C  CG  . PRO B 2 41  ? 20.946  34.927 101.994 1.00 23.39 ? 46  PRO L CG  1 
ATOM   2019 C  CD  . PRO B 2 41  ? 21.405  33.741 101.198 1.00 21.62 ? 46  PRO L CD  1 
ATOM   2020 N  N   . GLY B 2 42  ? 18.265  35.841 98.295  1.00 24.72 ? 47  GLY L N   1 
ATOM   2021 C  CA  . GLY B 2 42  ? 18.022  36.556 97.066  1.00 26.23 ? 47  GLY L CA  1 
ATOM   2022 C  C   . GLY B 2 42  ? 18.419  35.765 95.823  1.00 23.43 ? 47  GLY L C   1 
ATOM   2023 O  O   . GLY B 2 42  ? 18.408  36.338 94.745  1.00 28.46 ? 47  GLY L O   1 
ATOM   2024 N  N   . GLN B 2 43  ? 18.673  34.462 95.975  1.00 18.47 ? 48  GLN L N   1 
ATOM   2025 C  CA  . GLN B 2 43  ? 19.148  33.636 94.862  1.00 16.87 ? 48  GLN L CA  1 
ATOM   2026 C  C   . GLN B 2 43  ? 18.157  32.521 94.554  1.00 13.99 ? 48  GLN L C   1 
ATOM   2027 O  O   . GLN B 2 43  ? 17.364  32.115 95.409  1.00 12.77 ? 48  GLN L O   1 
ATOM   2028 C  CB  . GLN B 2 43  ? 20.533  33.059 95.146  1.00 21.72 ? 48  GLN L CB  1 
ATOM   2029 C  CG  . GLN B 2 43  ? 21.633  34.040 94.789  1.00 31.52 ? 48  GLN L CG  1 
ATOM   2030 C  CD  . GLN B 2 43  ? 22.717  34.244 95.799  1.00 42.51 ? 48  GLN L CD  1 
ATOM   2031 O  OE1 . GLN B 2 43  ? 23.643  33.437 95.950  1.00 48.68 ? 48  GLN L OE1 1 
ATOM   2032 N  NE2 . GLN B 2 43  ? 22.653  35.412 96.421  1.00 54.03 ? 48  GLN L NE2 1 
ATOM   2033 N  N   . THR B 2 44  ? 18.235  32.003 93.328  1.00 14.28 ? 49  THR L N   1 
ATOM   2034 C  CA  . THR B 2 44  ? 17.461  30.850 92.939  1.00 13.37 ? 49  THR L CA  1 
ATOM   2035 C  C   . THR B 2 44  ? 17.865  29.635 93.770  1.00 9.95  ? 49  THR L C   1 
ATOM   2036 O  O   . THR B 2 44  ? 19.051  29.342 93.925  1.00 10.75 ? 49  THR L O   1 
ATOM   2037 C  CB  . THR B 2 44  ? 17.658  30.514 91.441  1.00 16.38 ? 49  THR L CB  1 
ATOM   2038 O  OG1 . THR B 2 44  ? 17.364  31.693 90.693  1.00 21.79 ? 49  THR L OG1 1 
ATOM   2039 C  CG2 . THR B 2 44  ? 16.817  29.327 91.058  1.00 19.42 ? 49  THR L CG2 1 
ATOM   2040 N  N   . PRO B 2 45  ? 16.886  28.856 94.284  1.00 9.22  ? 50  PRO L N   1 
ATOM   2041 C  CA  . PRO B 2 45  ? 17.198  27.561 94.892  1.00 8.82  ? 50  PRO L CA  1 
ATOM   2042 C  C   . PRO B 2 45  ? 17.962  26.675 93.921  1.00 8.10  ? 50  PRO L C   1 
ATOM   2043 O  O   . PRO B 2 45  ? 17.610  26.612 92.728  1.00 9.67  ? 50  PRO L O   1 
ATOM   2044 C  CB  . PRO B 2 45  ? 15.840  26.958 95.225  1.00 9.32  ? 50  PRO L CB  1 
ATOM   2045 C  CG  . PRO B 2 45  ? 14.954  28.163 95.397  1.00 10.14 ? 50  PRO L CG  1 
ATOM   2046 C  CD  . PRO B 2 45  ? 15.443  29.130 94.332  1.00 9.44  ? 50  PRO L CD  1 
ATOM   2047 N  N   . ARG B 2 46  ? 18.883  25.901 94.455  1.00 7.73  ? 51  ARG L N   1 
ATOM   2048 C  CA  . ARG B 2 46  ? 19.618  24.892 93.726  1.00 8.11  ? 51  ARG L CA  1 
ATOM   2049 C  C   . ARG B 2 46  ? 19.187  23.525 94.228  1.00 7.89  ? 51  ARG L C   1 
ATOM   2050 O  O   . ARG B 2 46  ? 19.105  23.300 95.459  1.00 7.98  ? 51  ARG L O   1 
ATOM   2051 C  CB  . ARG B 2 46  ? 21.131  25.064 93.864  1.00 10.99 ? 51  ARG L CB  1 
ATOM   2052 C  CG  . ARG B 2 46  ? 21.696  26.243 93.078  1.00 17.36 ? 51  ARG L CG  1 
ATOM   2053 C  CD  . ARG B 2 46  ? 23.185  26.102 92.727  1.00 25.25 ? 51  ARG L CD  1 
ATOM   2054 N  NE  . ARG B 2 46  ? 24.108  25.779 93.795  1.00 37.18 ? 51  ARG L NE  1 
ATOM   2055 C  CZ  . ARG B 2 46  ? 25.126  24.910 93.704  1.00 37.55 ? 51  ARG L CZ  1 
ATOM   2056 N  NH1 . ARG B 2 46  ? 25.224  24.050 92.692  1.00 32.75 ? 51  ARG L NH1 1 
ATOM   2057 N  NH2 . ARG B 2 46  ? 26.015  24.880 94.679  1.00 43.94 ? 51  ARG L NH2 1 
ATOM   2058 N  N   . LEU B 2 47  ? 18.961  22.567 93.359  1.00 7.60  ? 52  LEU L N   1 
ATOM   2059 C  CA  . LEU B 2 47  ? 18.695  21.186 93.724  1.00 7.19  ? 52  LEU L CA  1 
ATOM   2060 C  C   . LEU B 2 47  ? 19.971  20.543 94.223  1.00 6.90  ? 52  LEU L C   1 
ATOM   2061 O  O   . LEU B 2 47  ? 20.990  20.544 93.537  1.00 7.35  ? 52  LEU L O   1 
ATOM   2062 C  CB  . LEU B 2 47  ? 18.174  20.414 92.500  1.00 7.23  ? 52  LEU L CB  1 
ATOM   2063 C  CG  . LEU B 2 47  ? 17.886  18.922 92.714  1.00 7.42  ? 52  LEU L CG  1 
ATOM   2064 C  CD1 . LEU B 2 47  ? 16.698  18.702 93.643  1.00 7.89  ? 52  LEU L CD1 1 
ATOM   2065 C  CD2 . LEU B 2 47  ? 17.675  18.194 91.366  1.00 7.83  ? 52  LEU L CD2 1 
ATOM   2066 N  N   . PHE B 2 48  ? 19.917  19.977 95.452  1.00 7.00  ? 53  PHE L N   1 
ATOM   2067 C  CA  . PHE B 2 48  ? 21.059  19.311 96.028  1.00 7.50  ? 53  PHE L CA  1 
ATOM   2068 C  C   . PHE B 2 48  ? 20.884  17.806 96.085  1.00 7.04  ? 53  PHE L C   1 
ATOM   2069 O  O   . PHE B 2 48  ? 21.834  17.076 95.784  1.00 7.55  ? 53  PHE L O   1 
ATOM   2070 C  CB  . PHE B 2 48  ? 21.324  19.844 97.464  1.00 8.07  ? 53  PHE L CB  1 
ATOM   2071 C  CG  . PHE B 2 48  ? 22.308  20.987 97.495  1.00 7.61  ? 53  PHE L CG  1 
ATOM   2072 C  CD1 . PHE B 2 48  ? 22.193  22.071 96.619  1.00 7.82  ? 53  PHE L CD1 1 
ATOM   2073 C  CD2 . PHE B 2 48  ? 23.421  20.942 98.323  1.00 8.46  ? 53  PHE L CD2 1 
ATOM   2074 C  CE1 . PHE B 2 48  ? 23.143  23.075 96.595  1.00 7.51  ? 53  PHE L CE1 1 
ATOM   2075 C  CE2 . PHE B 2 48  ? 24.376  21.940 98.297  1.00 8.28  ? 53  PHE L CE2 1 
ATOM   2076 C  CZ  . PHE B 2 48  ? 24.243  22.990 97.398  1.00 7.82  ? 53  PHE L CZ  1 
ATOM   2077 N  N   . ILE B 2 49  ? 19.701  17.323 96.473  1.00 6.92  ? 54  ILE L N   1 
ATOM   2078 C  CA  . ILE B 2 49  ? 19.431  15.884 96.592  1.00 7.13  ? 54  ILE L CA  1 
ATOM   2079 C  C   . ILE B 2 49  ? 18.108  15.598 95.899  1.00 6.84  ? 54  ILE L C   1 
ATOM   2080 O  O   . ILE B 2 49  ? 17.149  16.322 96.054  1.00 7.71  ? 54  ILE L O   1 
ATOM   2081 C  CB  . ILE B 2 49  ? 19.320  15.466 98.105  1.00 7.67  ? 54  ILE L CB  1 
ATOM   2082 C  CG1 . ILE B 2 49  ? 20.611  15.772 98.885  1.00 8.10  ? 54  ILE L CG1 1 
ATOM   2083 C  CG2 . ILE B 2 49  ? 18.882  14.016 98.250  1.00 8.09  ? 54  ILE L CG2 1 
ATOM   2084 C  CD1 . ILE B 2 49  ? 21.784  14.935 98.528  1.00 9.49  ? 54  ILE L CD1 1 
ATOM   2085 N  N   . TYR B 2 50  ? 18.092  14.483 95.146  1.00 7.20  ? 55  TYR L N   1 
ATOM   2086 C  CA  . TYR B 2 50  ? 16.857  14.018 94.546  1.00 7.21  ? 55  TYR L CA  1 
ATOM   2087 C  C   . TYR B 2 50  ? 16.698  12.518 94.845  1.00 7.15  ? 55  TYR L C   1 
ATOM   2088 O  O   . TYR B 2 50  ? 17.657  11.815 95.127  1.00 7.63  ? 55  TYR L O   1 
ATOM   2089 C  CB  . TYR B 2 50  ? 16.802  14.326 93.034  1.00 7.53  ? 55  TYR L CB  1 
ATOM   2090 C  CG  . TYR B 2 50  ? 17.775  13.522 92.214  1.00 7.77  ? 55  TYR L CG  1 
ATOM   2091 C  CD1 . TYR B 2 50  ? 19.106  13.895 92.107  1.00 7.77  ? 55  TYR L CD1 1 
ATOM   2092 C  CD2 . TYR B 2 50  ? 17.380  12.363 91.590  1.00 8.61  ? 55  TYR L CD2 1 
ATOM   2093 C  CE1 . TYR B 2 50  ? 20.013  13.161 91.386  1.00 8.33  ? 55  TYR L CE1 1 
ATOM   2094 C  CE2 . TYR B 2 50  ? 18.278  11.617 90.862  1.00 9.32  ? 55  TYR L CE2 1 
ATOM   2095 C  CZ  . TYR B 2 50  ? 19.584  12.021 90.739  1.00 9.16  ? 55  TYR L CZ  1 
ATOM   2096 O  OH  . TYR B 2 50  ? 20.495  11.251 90.038  1.00 11.33 ? 55  TYR L OH  1 
ATOM   2097 N  N   . GLY B 2 51  ? 15.458  12.028 94.827  1.00 7.45  ? 56  GLY L N   1 
ATOM   2098 C  CA  . GLY B 2 51  ? 15.210  10.647 95.156  1.00 8.03  ? 56  GLY L CA  1 
ATOM   2099 C  C   . GLY B 2 51  ? 15.731  10.249 96.538  1.00 7.52  ? 56  GLY L C   1 
ATOM   2100 O  O   . GLY B 2 51  ? 16.272  9.151  96.683  1.00 8.34  ? 56  GLY L O   1 
ATOM   2101 N  N   . ALA B 2 52  ? 15.595  11.188 97.482  1.00 7.09  ? 57  ALA L N   1 
ATOM   2102 C  CA  . ALA B 2 52  ? 15.964  11.059 98.902  1.00 7.45  ? 57  ALA L CA  1 
ATOM   2103 C  C   . ALA B 2 52  ? 17.455  11.029 99.161  1.00 7.27  ? 57  ALA L C   1 
ATOM   2104 O  O   . ALA B 2 52  ? 17.883  11.557 100.190 1.00 7.12  ? 57  ALA L O   1 
ATOM   2105 C  CB  . ALA B 2 52  ? 15.318  9.859  99.565  1.00 8.67  ? 57  ALA L CB  1 
ATOM   2106 N  N   . SER B 2 53  ? 18.264  10.395 98.301  1.00 7.14  ? 65  SER L N   1 
ATOM   2107 C  CA  . SER B 2 53  ? 19.647  10.110 98.611  1.00 7.23  ? 65  SER L CA  1 
ATOM   2108 C  C   . SER B 2 53  ? 20.638  10.346 97.466  1.00 7.21  ? 65  SER L C   1 
ATOM   2109 O  O   . SER B 2 53  ? 21.819  10.112 97.640  1.00 8.64  ? 65  SER L O   1 
ATOM   2110 C  CB  . SER B 2 53  ? 19.798  8.704  99.077  1.00 9.95  ? 65  SER L CB  1 
ATOM   2111 O  OG  . SER B 2 53  ? 19.323  7.799  98.110  1.00 12.45 ? 65  SER L OG  1 
ATOM   2112 N  N   . ASN B 2 54  ? 20.173  10.824 96.297  1.00 7.31  ? 66  ASN L N   1 
ATOM   2113 C  CA  . ASN B 2 54  ? 21.094  11.045 95.194  1.00 6.77  ? 66  ASN L CA  1 
ATOM   2114 C  C   . ASN B 2 54  ? 21.552  12.498 95.170  1.00 6.73  ? 66  ASN L C   1 
ATOM   2115 O  O   . ASN B 2 54  ? 20.734  13.423 95.209  1.00 7.71  ? 66  ASN L O   1 
ATOM   2116 C  CB  . ASN B 2 54  ? 20.408  10.777 93.852  1.00 6.81  ? 66  ASN L CB  1 
ATOM   2117 C  CG  . ASN B 2 54  ? 19.899  9.367  93.680  1.00 7.42  ? 66  ASN L CG  1 
ATOM   2118 O  OD1 . ASN B 2 54  ? 20.668  8.478  93.329  1.00 8.64  ? 66  ASN L OD1 1 
ATOM   2119 N  ND2 . ASN B 2 54  ? 18.649  9.145  94.024  1.00 8.79  ? 66  ASN L ND2 1 
ATOM   2120 N  N   . ARG B 2 55  ? 22.869  12.696 95.041  1.00 6.88  ? 67  ARG L N   1 
ATOM   2121 C  CA  . ARG B 2 55  ? 23.396  14.037 94.835  1.00 7.55  ? 67  ARG L CA  1 
ATOM   2122 C  C   . ARG B 2 55  ? 23.140  14.505 93.400  1.00 7.42  ? 67  ARG L C   1 
ATOM   2123 O  O   . ARG B 2 55  ? 23.384  13.767 92.447  1.00 8.50  ? 67  ARG L O   1 
ATOM   2124 C  CB  . ARG B 2 55  ? 24.897  14.083 95.079  1.00 8.63  ? 67  ARG L CB  1 
ATOM   2125 C  CG  . ARG B 2 55  ? 25.341  13.757 96.500  1.00 10.63 ? 67  ARG L CG  1 
ATOM   2126 C  CD  . ARG B 2 55  ? 26.869  13.861 96.630  1.00 11.72 ? 67  ARG L CD  1 
ATOM   2127 N  NE  . ARG B 2 55  ? 27.327  13.399 97.888  1.00 14.09 ? 67  ARG L NE  1 
ATOM   2128 C  CZ  . ARG B 2 55  ? 27.778  12.205 98.179  1.00 14.45 ? 67  ARG L CZ  1 
ATOM   2129 N  NH1 . ARG B 2 55  ? 27.894  11.254 97.265  1.00 14.23 ? 67  ARG L NH1 1 
ATOM   2130 N  NH2 . ARG B 2 55  ? 28.135  11.981 99.421  1.00 17.13 ? 67  ARG L NH2 1 
ATOM   2131 N  N   . ALA B 2 56  ? 22.711  15.750 93.267  1.00 7.39  ? 68  ALA L N   1 
ATOM   2132 C  CA  . ALA B 2 56  ? 22.633  16.392 91.958  1.00 7.76  ? 68  ALA L CA  1 
ATOM   2133 C  C   . ALA B 2 56  ? 24.040  16.672 91.458  1.00 8.47  ? 68  ALA L C   1 
ATOM   2134 O  O   . ALA B 2 56  ? 25.051  16.595 92.161  1.00 8.70  ? 68  ALA L O   1 
ATOM   2135 C  CB  . ALA B 2 56  ? 21.796  17.637 92.045  1.00 8.20  ? 68  ALA L CB  1 
ATOM   2136 N  N   . THR B 2 57  ? 24.102  17.055 90.182  1.00 10.62 ? 69  THR L N   1 
ATOM   2137 C  CA  . THR B 2 57  ? 25.342  17.440 89.576  1.00 12.81 ? 69  THR L CA  1 
ATOM   2138 C  C   . THR B 2 57  ? 25.988  18.619 90.278  1.00 12.88 ? 69  THR L C   1 
ATOM   2139 O  O   . THR B 2 57  ? 25.303  19.555 90.730  1.00 15.50 ? 69  THR L O   1 
ATOM   2140 C  CB  . THR B 2 57  ? 25.118  17.826 88.108  1.00 13.39 ? 69  THR L CB  1 
ATOM   2141 O  OG1 . THR B 2 57  ? 24.190  18.982 88.024  1.00 17.39 ? 69  THR L OG1 1 
ATOM   2142 C  CG2 . THR B 2 57  ? 24.741  16.560 87.338  1.00 16.74 ? 69  THR L CG2 1 
ATOM   2143 N  N   . GLY B 2 58  ? 27.276  18.474 90.485  1.00 16.72 ? 70  GLY L N   1 
ATOM   2144 C  CA  . GLY B 2 58  ? 28.072  19.533 91.078  1.00 18.49 ? 70  GLY L CA  1 
ATOM   2145 C  C   . GLY B 2 58  ? 28.017  19.646 92.581  1.00 17.08 ? 70  GLY L C   1 
ATOM   2146 O  O   . GLY B 2 58  ? 28.626  20.556 93.116  1.00 25.96 ? 70  GLY L O   1 
ATOM   2147 N  N   . ILE B 2 59  ? 27.282  18.749 93.225  1.00 11.25 ? 71  ILE L N   1 
ATOM   2148 C  CA  . ILE B 2 59  ? 27.110  18.841 94.647  1.00 10.56 ? 71  ILE L CA  1 
ATOM   2149 C  C   . ILE B 2 59  ? 28.247  18.099 95.325  1.00 10.11 ? 71  ILE L C   1 
ATOM   2150 O  O   . ILE B 2 59  ? 28.510  16.933 95.026  1.00 10.70 ? 71  ILE L O   1 
ATOM   2151 C  CB  . ILE B 2 59  ? 25.748  18.249 95.035  1.00 9.36  ? 71  ILE L CB  1 
ATOM   2152 C  CG1 . ILE B 2 59  ? 24.602  19.020 94.386  1.00 9.71  ? 71  ILE L CG1 1 
ATOM   2153 C  CG2 . ILE B 2 59  ? 25.584  18.190 96.562  1.00 9.76  ? 71  ILE L CG2 1 
ATOM   2154 C  CD1 . ILE B 2 59  ? 24.601  20.484 94.598  1.00 9.61  ? 71  ILE L CD1 1 
ATOM   2155 N  N   . PRO B 2 60  ? 28.968  18.759 96.260  1.00 11.19 ? 72  PRO L N   1 
ATOM   2156 C  CA  . PRO B 2 60  ? 30.086  18.128 96.957  1.00 11.81 ? 72  PRO L CA  1 
ATOM   2157 C  C   . PRO B 2 60  ? 29.694  16.928 97.809  1.00 9.67  ? 72  PRO L C   1 
ATOM   2158 O  O   . PRO B 2 60  ? 28.559  16.835 98.289  1.00 9.87  ? 72  PRO L O   1 
ATOM   2159 C  CB  . PRO B 2 60  ? 30.645  19.246 97.849  1.00 14.20 ? 72  PRO L CB  1 
ATOM   2160 C  CG  . PRO B 2 60  ? 30.040  20.508 97.408  1.00 17.63 ? 72  PRO L CG  1 
ATOM   2161 C  CD  . PRO B 2 60  ? 28.800  20.162 96.621  1.00 12.83 ? 72  PRO L CD  1 
ATOM   2162 N  N   . ASP B 2 61  ? 30.679  16.073 98.072  1.00 10.97 ? 74  ASP L N   1 
ATOM   2163 C  CA  . ASP B 2 61  ? 30.446  14.826 98.775  1.00 12.03 ? 74  ASP L CA  1 
ATOM   2164 C  C   . ASP B 2 61  ? 30.031  15.046 100.239 1.00 9.89  ? 74  ASP L C   1 
ATOM   2165 O  O   . ASP B 2 61  ? 29.376  14.182 100.790 1.00 10.40 ? 74  ASP L O   1 
ATOM   2166 C  CB  . ASP B 2 61  ? 31.726  13.992 98.729  1.00 15.62 ? 74  ASP L CB  1 
ATOM   2167 C  CG  . ASP B 2 61  ? 31.989  13.382 97.360  1.00 22.26 ? 74  ASP L CG  1 
ATOM   2168 O  OD1 . ASP B 2 61  ? 31.119  13.501 96.489  1.00 28.10 ? 74  ASP L OD1 1 
ATOM   2169 O  OD2 . ASP B 2 61  ? 32.997  12.710 97.218  1.00 31.63 ? 74  ASP L OD2 1 
ATOM   2170 N  N   . ARG B 2 62  ? 30.302  16.225 100.806 1.00 8.41  ? 75  ARG L N   1 
ATOM   2171 C  CA  . ARG B 2 62  ? 29.901  16.456 102.199 1.00 7.99  ? 75  ARG L CA  1 
ATOM   2172 C  C   . ARG B 2 62  ? 28.403  16.577 102.350 1.00 7.61  ? 75  ARG L C   1 
ATOM   2173 O  O   . ARG B 2 62  ? 27.896  16.491 103.467 1.00 8.03  ? 75  ARG L O   1 
ATOM   2174 C  CB  . ARG B 2 62  ? 30.553  17.699 102.775 1.00 8.41  ? 75  ARG L CB  1 
ATOM   2175 C  CG  . ARG B 2 62  ? 30.177  19.023 102.128 1.00 8.67  ? 75  ARG L CG  1 
ATOM   2176 C  CD  . ARG B 2 62  ? 30.939  20.179 102.746 1.00 9.87  ? 75  ARG L CD  1 
ATOM   2177 N  NE  . ARG B 2 62  ? 30.632  21.504 102.184 1.00 9.68  ? 75  ARG L NE  1 
ATOM   2178 C  CZ  . ARG B 2 62  ? 31.137  21.968 101.061 1.00 10.84 ? 75  ARG L CZ  1 
ATOM   2179 N  NH1 . ARG B 2 62  ? 30.730  23.136 100.637 1.00 11.28 ? 75  ARG L NH1 1 
ATOM   2180 N  NH2 . ARG B 2 62  ? 32.007  21.237 100.373 1.00 11.40 ? 75  ARG L NH2 1 
ATOM   2181 N  N   . PHE B 2 63  ? 27.627  16.766 101.288 1.00 7.56  ? 76  PHE L N   1 
ATOM   2182 C  CA  . PHE B 2 63  ? 26.180  16.765 101.351 1.00 7.57  ? 76  PHE L CA  1 
ATOM   2183 C  C   . PHE B 2 63  ? 25.643  15.371 101.047 1.00 7.36  ? 76  PHE L C   1 
ATOM   2184 O  O   . PHE B 2 63  ? 26.029  14.744 100.058 1.00 9.04  ? 76  PHE L O   1 
ATOM   2185 C  CB  . PHE B 2 63  ? 25.558  17.739 100.328 1.00 7.71  ? 76  PHE L CB  1 
ATOM   2186 C  CG  . PHE B 2 63  ? 25.888  19.153 100.622 1.00 8.38  ? 76  PHE L CG  1 
ATOM   2187 C  CD1 . PHE B 2 63  ? 27.030  19.735 100.120 1.00 9.77  ? 76  PHE L CD1 1 
ATOM   2188 C  CD2 . PHE B 2 63  ? 25.032  19.920 101.377 1.00 8.92  ? 76  PHE L CD2 1 
ATOM   2189 C  CE1 . PHE B 2 63  ? 27.361  21.038 100.448 1.00 10.42 ? 76  PHE L CE1 1 
ATOM   2190 C  CE2 . PHE B 2 63  ? 25.350  21.239 101.678 1.00 9.84  ? 76  PHE L CE2 1 
ATOM   2191 C  CZ  . PHE B 2 63  ? 26.505  21.796 101.213 1.00 9.89  ? 76  PHE L CZ  1 
ATOM   2192 N  N   . SER B 2 64  ? 24.732  14.881 101.873 1.00 7.46  ? 77  SER L N   1 
ATOM   2193 C  CA  . SER B 2 64  ? 24.082  13.607 101.657 1.00 8.21  ? 77  SER L CA  1 
ATOM   2194 C  C   . SER B 2 64  ? 22.660  13.653 102.167 1.00 7.43  ? 77  SER L C   1 
ATOM   2195 O  O   . SER B 2 64  ? 22.284  14.478 103.001 1.00 8.94  ? 77  SER L O   1 
ATOM   2196 C  CB  . SER B 2 64  ? 24.799  12.474 102.291 1.00 10.40 ? 77  SER L CB  1 
ATOM   2197 O  OG  . SER B 2 64  ? 24.817  12.616 103.679 1.00 11.78 ? 77  SER L OG  1 
ATOM   2198 N  N   . GLY B 2 65  ? 21.845  12.777 101.638 1.00 7.08  ? 78  GLY L N   1 
ATOM   2199 C  CA  . GLY B 2 65  ? 20.469  12.652 102.071 1.00 7.53  ? 78  GLY L CA  1 
ATOM   2200 C  C   . GLY B 2 65  ? 20.134  11.208 102.378 1.00 7.64  ? 78  GLY L C   1 
ATOM   2201 O  O   . GLY B 2 65  ? 20.682  10.280 101.782 1.00 8.61  ? 78  GLY L O   1 
ATOM   2202 N  N   . SER B 2 66  ? 19.187  11.021 103.300 1.00 7.24  ? 79  SER L N   1 
ATOM   2203 C  CA  . SER B 2 66  ? 18.747  9.696  103.659 1.00 8.60  ? 79  SER L CA  1 
ATOM   2204 C  C   . SER B 2 66  ? 17.324  9.702  104.175 1.00 7.92  ? 79  SER L C   1 
ATOM   2205 O  O   . SER B 2 66  ? 16.744  10.760 104.378 1.00 7.94  ? 79  SER L O   1 
ATOM   2206 C  CB  . SER B 2 66  ? 19.681  9.038  104.624 1.00 10.92 ? 79  SER L CB  1 
ATOM   2207 O  OG  . SER B 2 66  ? 19.711  9.757  105.822 1.00 13.55 ? 79  SER L OG  1 
ATOM   2208 N  N   . GLY B 2 67  ? 16.808  8.505  104.421 1.00 9.30  ? 80  GLY L N   1 
ATOM   2209 C  CA  . GLY B 2 67  ? 15.484  8.347  105.004 1.00 9.41  ? 80  GLY L CA  1 
ATOM   2210 C  C   . GLY B 2 67  ? 14.498  7.650  104.071 1.00 10.88 ? 80  GLY L C   1 
ATOM   2211 O  O   . GLY B 2 67  ? 14.737  7.464  102.877 1.00 12.46 ? 80  GLY L O   1 
ATOM   2212 N  N   . SER B 2 68  ? 13.333  7.370  104.613 1.00 12.68 ? 83  SER L N   1 
ATOM   2213 C  CA  . SER B 2 68  ? 12.236  6.745  103.930 1.00 13.69 ? 83  SER L CA  1 
ATOM   2214 C  C   . SER B 2 68  ? 10.987  6.935  104.768 1.00 12.59 ? 83  SER L C   1 
ATOM   2215 O  O   . SER B 2 68  ? 11.075  7.337  105.930 1.00 13.31 ? 83  SER L O   1 
ATOM   2216 C  CB  . SER B 2 68  ? 12.474  5.285  103.716 1.00 16.99 ? 83  SER L CB  1 
ATOM   2217 O  OG  . SER B 2 68  ? 12.489  4.600  104.941 1.00 19.01 ? 83  SER L OG  1 
ATOM   2218 N  N   . GLY B 2 69  ? 9.823   6.680  104.185 1.00 13.38 ? 84  GLY L N   1 
ATOM   2219 C  CA  . GLY B 2 69  ? 8.579   6.725  104.923 1.00 12.29 ? 84  GLY L CA  1 
ATOM   2220 C  C   . GLY B 2 69  ? 8.190   8.144  105.237 1.00 10.81 ? 84  GLY L C   1 
ATOM   2221 O  O   . GLY B 2 69  ? 7.773   8.925  104.374 1.00 13.06 ? 84  GLY L O   1 
ATOM   2222 N  N   . THR B 2 70  ? 8.280   8.460  106.538 1.00 10.45 ? 85  THR L N   1 
ATOM   2223 C  CA  . THR B 2 70  ? 7.860   9.764  107.028 1.00 10.33 ? 85  THR L CA  1 
ATOM   2224 C  C   . THR B 2 70  ? 9.002   10.553 107.640 1.00 9.38  ? 85  THR L C   1 
ATOM   2225 O  O   . THR B 2 70  ? 8.742   11.616 108.202 1.00 10.32 ? 85  THR L O   1 
ATOM   2226 C  CB  . THR B 2 70  ? 6.691   9.674  108.020 1.00 12.03 ? 85  THR L CB  1 
ATOM   2227 O  OG1 . THR B 2 70  ? 7.132   8.872  109.112 1.00 13.90 ? 85  THR L OG1 1 
ATOM   2228 C  CG2 . THR B 2 70  ? 5.483   9.063  107.358 1.00 13.21 ? 85  THR L CG2 1 
ATOM   2229 N  N   . TYR B 2 71  ? 10.247  10.069 107.532 1.00 7.61  ? 86  TYR L N   1 
ATOM   2230 C  CA  . TYR B 2 71  ? 11.362  10.765 108.143 1.00 7.60  ? 86  TYR L CA  1 
ATOM   2231 C  C   . TYR B 2 71  ? 12.549  10.781 107.186 1.00 6.98  ? 86  TYR L C   1 
ATOM   2232 O  O   . TYR B 2 71  ? 13.076  9.725  106.846 1.00 8.90  ? 86  TYR L O   1 
ATOM   2233 C  CB  . TYR B 2 71  ? 11.760  10.161 109.507 1.00 8.42  ? 86  TYR L CB  1 
ATOM   2234 C  CG  . TYR B 2 71  ? 12.892  10.913 110.181 1.00 7.77  ? 86  TYR L CG  1 
ATOM   2235 C  CD1 . TYR B 2 71  ? 12.670  12.150 110.767 1.00 8.02  ? 86  TYR L CD1 1 
ATOM   2236 C  CD2 . TYR B 2 71  ? 14.175  10.416 110.202 1.00 8.47  ? 86  TYR L CD2 1 
ATOM   2237 C  CE1 . TYR B 2 71  ? 13.701  12.884 111.315 1.00 7.92  ? 86  TYR L CE1 1 
ATOM   2238 C  CE2 . TYR B 2 71  ? 15.209  11.111 110.797 1.00 7.75  ? 86  TYR L CE2 1 
ATOM   2239 C  CZ  . TYR B 2 71  ? 14.981  12.358 111.352 1.00 8.21  ? 86  TYR L CZ  1 
ATOM   2240 O  OH  . TYR B 2 71  ? 16.006  13.107 111.904 1.00 8.81  ? 86  TYR L OH  1 
ATOM   2241 N  N   . PHE B 2 72  ? 13.008  11.998 106.871 1.00 6.77  ? 87  PHE L N   1 
ATOM   2242 C  CA  . PHE B 2 72  ? 14.137  12.216 105.975 1.00 6.87  ? 87  PHE L CA  1 
ATOM   2243 C  C   . PHE B 2 72  ? 15.119  13.204 106.567 1.00 6.15  ? 87  PHE L C   1 
ATOM   2244 O  O   . PHE B 2 72  ? 14.727  14.114 107.299 1.00 7.48  ? 87  PHE L O   1 
ATOM   2245 C  CB  . PHE B 2 72  ? 13.636  12.758 104.606 1.00 7.50  ? 87  PHE L CB  1 
ATOM   2246 C  CG  . PHE B 2 72  ? 12.669  11.829 103.929 1.00 8.15  ? 87  PHE L CG  1 
ATOM   2247 C  CD1 . PHE B 2 72  ? 11.313  11.833 104.207 1.00 8.44  ? 87  PHE L CD1 1 
ATOM   2248 C  CD2 . PHE B 2 72  ? 13.145  10.862 103.048 1.00 8.35  ? 87  PHE L CD2 1 
ATOM   2249 C  CE1 . PHE B 2 72  ? 10.436  10.977 103.570 1.00 8.96  ? 87  PHE L CE1 1 
ATOM   2250 C  CE2 . PHE B 2 72  ? 12.258  10.010 102.422 1.00 8.88  ? 87  PHE L CE2 1 
ATOM   2251 C  CZ  . PHE B 2 72  ? 10.927  10.034 102.709 1.00 8.64  ? 87  PHE L CZ  1 
ATOM   2252 N  N   . THR B 2 73  ? 16.401  13.075 106.209 1.00 6.59  ? 88  THR L N   1 
ATOM   2253 C  CA  . THR B 2 73  ? 17.426  14.024 106.635 1.00 6.41  ? 88  THR L CA  1 
ATOM   2254 C  C   . THR B 2 73  ? 18.295  14.460 105.468 1.00 6.25  ? 88  THR L C   1 
ATOM   2255 O  O   . THR B 2 73  ? 18.568  13.664 104.556 1.00 7.20  ? 88  THR L O   1 
ATOM   2256 C  CB  . THR B 2 73  ? 18.312  13.499 107.778 1.00 7.82  ? 88  THR L CB  1 
ATOM   2257 O  OG1 . THR B 2 73  ? 18.946  12.301 107.390 1.00 9.58  ? 88  THR L OG1 1 
ATOM   2258 C  CG2 . THR B 2 73  ? 17.530  13.234 109.049 1.00 9.86  ? 88  THR L CG2 1 
ATOM   2259 N  N   . LEU B 2 74  ? 18.775  15.689 105.551 1.00 6.03  ? 89  LEU L N   1 
ATOM   2260 C  CA  . LEU B 2 74  ? 19.911  16.202 104.807 1.00 6.18  ? 89  LEU L CA  1 
ATOM   2261 C  C   . LEU B 2 74  ? 21.058  16.438 105.763 1.00 6.40  ? 89  LEU L C   1 
ATOM   2262 O  O   . LEU B 2 74  ? 20.874  17.125 106.788 1.00 7.25  ? 89  LEU L O   1 
ATOM   2263 C  CB  . LEU B 2 74  ? 19.524  17.503 104.101 1.00 7.09  ? 89  LEU L CB  1 
ATOM   2264 C  CG  . LEU B 2 74  ? 20.647  18.257 103.409 1.00 7.66  ? 89  LEU L CG  1 
ATOM   2265 C  CD1 . LEU B 2 74  ? 21.059  17.559 102.137 1.00 8.90  ? 89  LEU L CD1 1 
ATOM   2266 C  CD2 . LEU B 2 74  ? 20.227  19.711 103.144 1.00 8.82  ? 89  LEU L CD2 1 
ATOM   2267 N  N   . THR B 2 75  ? 22.223  15.874 105.461 1.00 6.02  ? 90  THR L N   1 
ATOM   2268 C  CA  . THR B 2 75  ? 23.390  16.015 106.301 1.00 6.34  ? 90  THR L CA  1 
ATOM   2269 C  C   . THR B 2 75  ? 24.466  16.782 105.562 1.00 6.78  ? 90  THR L C   1 
ATOM   2270 O  O   . THR B 2 75  ? 24.691  16.504 104.372 1.00 8.16  ? 90  THR L O   1 
ATOM   2271 C  CB  . THR B 2 75  ? 23.922  14.630 106.677 1.00 8.03  ? 90  THR L CB  1 
ATOM   2272 O  OG1 . THR B 2 75  ? 22.887  13.948 107.391 1.00 9.24  ? 90  THR L OG1 1 
ATOM   2273 C  CG2 . THR B 2 75  ? 25.210  14.671 107.461 1.00 10.30 ? 90  THR L CG2 1 
ATOM   2274 N  N   . ILE B 2 76  ? 25.155  17.684 106.243 1.00 6.88  ? 91  ILE L N   1 
ATOM   2275 C  CA  . ILE B 2 76  ? 26.412  18.211 105.829 1.00 6.87  ? 91  ILE L CA  1 
ATOM   2276 C  C   . ILE B 2 76  ? 27.474  17.629 106.730 1.00 7.04  ? 91  ILE L C   1 
ATOM   2277 O  O   . ILE B 2 76  ? 27.454  17.954 107.960 1.00 7.12  ? 91  ILE L O   1 
ATOM   2278 C  CB  . ILE B 2 76  ? 26.444  19.733 105.783 1.00 7.30  ? 91  ILE L CB  1 
ATOM   2279 C  CG1 . ILE B 2 76  ? 25.198  20.319 105.104 1.00 8.03  ? 91  ILE L CG1 1 
ATOM   2280 C  CG2 . ILE B 2 76  ? 27.728  20.190 105.105 1.00 8.21  ? 91  ILE L CG2 1 
ATOM   2281 C  CD1 . ILE B 2 76  ? 25.126  21.830 105.156 1.00 8.76  ? 91  ILE L CD1 1 
ATOM   2282 N  N   . SER B 2 77  ? 28.314  16.746 106.272 1.00 6.90  ? 92  SER L N   1 
ATOM   2283 C  CA  . SER B 2 77  ? 29.170  15.948 107.148 1.00 7.06  ? 92  SER L CA  1 
ATOM   2284 C  C   . SER B 2 77  ? 30.215  16.800 107.842 1.00 7.72  ? 92  SER L C   1 
ATOM   2285 O  O   . SER B 2 77  ? 30.580  16.482 108.975 1.00 8.11  ? 92  SER L O   1 
ATOM   2286 C  CB  . SER B 2 77  ? 29.821  14.817 106.404 1.00 7.80  ? 92  SER L CB  1 
ATOM   2287 O  OG  . SER B 2 77  ? 30.574  15.333 105.308 1.00 10.41 ? 92  SER L OG  1 
ATOM   2288 N  N   . ARG B 2 78  ? 30.700  17.829 107.180 1.00 7.78  ? 93  ARG L N   1 
ATOM   2289 C  CA  . ARG B 2 78  ? 31.791  18.678 107.618 1.00 8.28  ? 93  ARG L CA  1 
ATOM   2290 C  C   . ARG B 2 78  ? 31.516  20.060 107.082 1.00 8.27  ? 93  ARG L C   1 
ATOM   2291 O  O   . ARG B 2 78  ? 31.777  20.342 105.909 1.00 9.03  ? 93  ARG L O   1 
ATOM   2292 C  CB  . ARG B 2 78  ? 33.113  18.116 107.096 1.00 10.81 ? 93  ARG L CB  1 
ATOM   2293 C  CG  . ARG B 2 78  ? 34.338  18.818 107.621 1.00 14.28 ? 93  ARG L CG  1 
ATOM   2294 C  CD  . ARG B 2 78  ? 35.521  18.534 106.706 1.00 18.65 ? 93  ARG L CD  1 
ATOM   2295 N  NE  . ARG B 2 78  ? 35.455  19.296 105.445 1.00 21.83 ? 93  ARG L NE  1 
ATOM   2296 C  CZ  . ARG B 2 78  ? 35.063  18.825 104.241 1.00 22.32 ? 93  ARG L CZ  1 
ATOM   2297 N  NH1 . ARG B 2 78  ? 34.909  17.527 103.994 1.00 19.46 ? 93  ARG L NH1 1 
ATOM   2298 N  NH2 . ARG B 2 78  ? 34.935  19.671 103.243 1.00 25.18 ? 93  ARG L NH2 1 
ATOM   2299 N  N   . LEU B 2 79  ? 30.925  20.933 107.897 1.00 8.21  ? 94  LEU L N   1 
ATOM   2300 C  CA  . LEU B 2 79  ? 30.425  22.222 107.405 1.00 8.74  ? 94  LEU L CA  1 
ATOM   2301 C  C   . LEU B 2 79  ? 31.569  23.092 106.899 1.00 8.55  ? 94  LEU L C   1 
ATOM   2302 O  O   . LEU B 2 79  ? 32.654  23.152 107.481 1.00 10.21 ? 94  LEU L O   1 
ATOM   2303 C  CB  . LEU B 2 79  ? 29.764  22.862 108.623 1.00 11.51 ? 94  LEU L CB  1 
ATOM   2304 C  CG  . LEU B 2 79  ? 28.720  23.900 108.473 1.00 15.56 ? 94  LEU L CG  1 
ATOM   2305 C  CD1 . LEU B 2 79  ? 27.624  23.519 107.466 1.00 14.23 ? 94  LEU L CD1 1 
ATOM   2306 C  CD2 . LEU B 2 79  ? 28.096  24.080 109.819 1.00 16.01 ? 94  LEU L CD2 1 
ATOM   2307 N  N   . GLU B 2 80  ? 31.252  23.869 105.865 1.00 9.26  ? 95  GLU L N   1 
ATOM   2308 C  CA  . GLU B 2 80  ? 32.137  24.903 105.359 1.00 10.75 ? 95  GLU L CA  1 
ATOM   2309 C  C   . GLU B 2 80  ? 31.424  26.245 105.456 1.00 10.16 ? 95  GLU L C   1 
ATOM   2310 O  O   . GLU B 2 80  ? 30.203  26.312 105.467 1.00 10.54 ? 95  GLU L O   1 
ATOM   2311 C  CB  A GLU B 2 80  ? 32.492  24.621 103.897 0.50 10.65 ? 95  GLU L CB  1 
ATOM   2312 C  CB  B GLU B 2 80  ? 32.523  24.592 103.917 0.50 11.69 ? 95  GLU L CB  1 
ATOM   2313 C  CG  A GLU B 2 80  ? 33.310  23.376 103.671 0.50 12.01 ? 95  GLU L CG  1 
ATOM   2314 C  CG  B GLU B 2 80  ? 33.379  23.370 103.805 0.50 14.47 ? 95  GLU L CG  1 
ATOM   2315 C  CD  A GLU B 2 80  ? 34.782  23.469 104.046 0.50 13.13 ? 95  GLU L CD  1 
ATOM   2316 C  CD  B GLU B 2 80  ? 34.057  23.205 102.466 0.50 17.00 ? 95  GLU L CD  1 
ATOM   2317 O  OE1 A GLU B 2 80  ? 35.213  24.567 104.433 0.50 13.53 ? 95  GLU L OE1 1 
ATOM   2318 O  OE1 B GLU B 2 80  ? 34.025  24.156 101.656 0.50 21.93 ? 95  GLU L OE1 1 
ATOM   2319 O  OE2 A GLU B 2 80  ? 35.491  22.448 103.878 0.50 15.00 ? 95  GLU L OE2 1 
ATOM   2320 O  OE2 B GLU B 2 80  ? 34.571  22.101 102.222 0.50 24.15 ? 95  GLU L OE2 1 
ATOM   2321 N  N   . PRO B 2 81  ? 32.163  27.362 105.548 1.00 11.84 ? 96  PRO L N   1 
ATOM   2322 C  CA  . PRO B 2 81  ? 31.529  28.673 105.743 1.00 11.87 ? 96  PRO L CA  1 
ATOM   2323 C  C   . PRO B 2 81  ? 30.602  29.080 104.597 1.00 11.40 ? 96  PRO L C   1 
ATOM   2324 O  O   . PRO B 2 81  ? 29.603  29.762 104.807 1.00 11.32 ? 96  PRO L O   1 
ATOM   2325 C  CB  . PRO B 2 81  ? 32.663  29.677 105.842 1.00 14.58 ? 96  PRO L CB  1 
ATOM   2326 C  CG  . PRO B 2 81  ? 33.920  28.871 105.585 1.00 17.71 ? 96  PRO L CG  1 
ATOM   2327 C  CD  . PRO B 2 81  ? 33.615  27.400 105.590 1.00 14.27 ? 96  PRO L CD  1 
ATOM   2328 N  N   . GLU B 2 82  ? 30.820  28.504 103.402 1.00 10.86 ? 97  GLU L N   1 
ATOM   2329 C  CA  . GLU B 2 82  ? 29.958  28.835 102.288 1.00 10.69 ? 97  GLU L CA  1 
ATOM   2330 C  C   . GLU B 2 82  ? 28.622  28.101 102.333 1.00 9.53  ? 97  GLU L C   1 
ATOM   2331 O  O   . GLU B 2 82  ? 27.810  28.259 101.424 1.00 10.46 ? 97  GLU L O   1 
ATOM   2332 C  CB  . GLU B 2 82  ? 30.644  28.552 100.950 1.00 11.58 ? 97  GLU L CB  1 
ATOM   2333 C  CG  . GLU B 2 82  ? 30.990  27.116 100.684 1.00 14.12 ? 97  GLU L CG  1 
ATOM   2334 C  CD  . GLU B 2 82  ? 32.425  26.734 101.061 1.00 23.22 ? 97  GLU L CD  1 
ATOM   2335 O  OE1 . GLU B 2 82  ? 33.048  27.320 102.100 1.00 23.28 ? 97  GLU L OE1 1 
ATOM   2336 O  OE2 . GLU B 2 82  ? 32.943  25.816 100.314 1.00 28.82 ? 97  GLU L OE2 1 
ATOM   2337 N  N   . ASP B 2 83  ? 28.383  27.244 103.350 1.00 8.95  ? 98  ASP L N   1 
ATOM   2338 C  CA  . ASP B 2 83  ? 27.200  26.426 103.384 1.00 8.66  ? 98  ASP L CA  1 
ATOM   2339 C  C   . ASP B 2 83  ? 25.988  27.076 104.046 1.00 8.68  ? 98  ASP L C   1 
ATOM   2340 O  O   . ASP B 2 83  ? 24.922  26.480 104.088 1.00 8.91  ? 98  ASP L O   1 
ATOM   2341 C  CB  . ASP B 2 83  ? 27.497  25.069 104.023 1.00 8.59  ? 98  ASP L CB  1 
ATOM   2342 C  CG  . ASP B 2 83  ? 28.532  24.249 103.268 1.00 8.32  ? 98  ASP L CG  1 
ATOM   2343 O  OD1 . ASP B 2 83  ? 28.696  24.473 102.012 1.00 9.97  ? 98  ASP L OD1 1 
ATOM   2344 O  OD2 . ASP B 2 83  ? 29.176  23.356 103.873 1.00 9.20  ? 98  ASP L OD2 1 
ATOM   2345 N  N   . PHE B 2 84  ? 26.102  28.318 104.530 1.00 8.44  ? 99  PHE L N   1 
ATOM   2346 C  CA  . PHE B 2 84  ? 24.925  28.984 105.066 1.00 8.51  ? 99  PHE L CA  1 
ATOM   2347 C  C   . PHE B 2 84  ? 23.854  29.103 103.990 1.00 8.30  ? 99  PHE L C   1 
ATOM   2348 O  O   . PHE B 2 84  ? 24.177  29.384 102.830 1.00 9.26  ? 99  PHE L O   1 
ATOM   2349 C  CB  . PHE B 2 84  ? 25.254  30.350 105.643 1.00 9.60  ? 99  PHE L CB  1 
ATOM   2350 C  CG  . PHE B 2 84  ? 25.518  31.413 104.645 1.00 11.26 ? 99  PHE L CG  1 
ATOM   2351 C  CD1 . PHE B 2 84  ? 24.467  32.183 104.175 1.00 12.62 ? 99  PHE L CD1 1 
ATOM   2352 C  CD2 . PHE B 2 84  ? 26.794  31.650 104.153 1.00 13.87 ? 99  PHE L CD2 1 
ATOM   2353 C  CE1 . PHE B 2 84  ? 24.676  33.156 103.208 1.00 16.12 ? 99  PHE L CE1 1 
ATOM   2354 C  CE2 . PHE B 2 84  ? 26.996  32.661 103.221 1.00 16.33 ? 99  PHE L CE2 1 
ATOM   2355 C  CZ  . PHE B 2 84  ? 25.931  33.360 102.718 1.00 15.87 ? 99  PHE L CZ  1 
ATOM   2356 N  N   . ALA B 2 85  ? 22.617  28.900 104.366 1.00 8.59  ? 100 ALA L N   1 
ATOM   2357 C  CA  . ALA B 2 85  ? 21.503  28.899 103.439 1.00 8.48  ? 100 ALA L CA  1 
ATOM   2358 C  C   . ALA B 2 85  ? 20.239  28.559 104.201 1.00 7.82  ? 100 ALA L C   1 
ATOM   2359 O  O   . ALA B 2 85  ? 20.289  28.180 105.386 1.00 9.87  ? 100 ALA L O   1 
ATOM   2360 C  CB  . ALA B 2 85  ? 21.748  27.839 102.359 1.00 8.87  ? 100 ALA L CB  1 
ATOM   2361 N  N   . VAL B 2 86  ? 19.113  28.634 103.519 1.00 8.46  ? 101 VAL L N   1 
ATOM   2362 C  CA  . VAL B 2 86  ? 17.915  27.954 103.926 1.00 7.97  ? 101 VAL L CA  1 
ATOM   2363 C  C   . VAL B 2 86  ? 17.817  26.668 103.115 1.00 7.63  ? 101 VAL L C   1 
ATOM   2364 O  O   . VAL B 2 86  ? 17.896  26.719 101.867 1.00 8.63  ? 101 VAL L O   1 
ATOM   2365 C  CB  . VAL B 2 86  ? 16.646  28.798 103.838 1.00 8.73  ? 101 VAL L CB  1 
ATOM   2366 C  CG1 . VAL B 2 86  ? 15.436  28.020 104.280 1.00 9.18  ? 101 VAL L CG1 1 
ATOM   2367 C  CG2 . VAL B 2 86  ? 16.766  30.088 104.628 1.00 9.33  ? 101 VAL L CG2 1 
ATOM   2368 N  N   . TYR B 2 87  ? 17.664  25.547 103.768 1.00 7.31  ? 102 TYR L N   1 
ATOM   2369 C  CA  . TYR B 2 87  ? 17.494  24.253 103.132 1.00 6.96  ? 102 TYR L CA  1 
ATOM   2370 C  C   . TYR B 2 87  ? 16.045  23.826 103.217 1.00 7.30  ? 102 TYR L C   1 
ATOM   2371 O  O   . TYR B 2 87  ? 15.433  23.844 104.286 1.00 8.21  ? 102 TYR L O   1 
ATOM   2372 C  CB  . TYR B 2 87  ? 18.410  23.195 103.791 1.00 6.77  ? 102 TYR L CB  1 
ATOM   2373 C  CG  . TYR B 2 87  ? 19.863  23.493 103.557 1.00 6.81  ? 102 TYR L CG  1 
ATOM   2374 C  CD1 . TYR B 2 87  ? 20.511  23.030 102.420 1.00 6.91  ? 102 TYR L CD1 1 
ATOM   2375 C  CD2 . TYR B 2 87  ? 20.599  24.296 104.417 1.00 7.51  ? 102 TYR L CD2 1 
ATOM   2376 C  CE1 . TYR B 2 87  ? 21.830  23.320 102.173 1.00 6.95  ? 102 TYR L CE1 1 
ATOM   2377 C  CE2 . TYR B 2 87  ? 21.919  24.595 104.167 1.00 7.11  ? 102 TYR L CE2 1 
ATOM   2378 C  CZ  . TYR B 2 87  ? 22.559  24.100 103.034 1.00 6.99  ? 102 TYR L CZ  1 
ATOM   2379 O  OH  . TYR B 2 87  ? 23.864  24.406 102.769 1.00 7.79  ? 102 TYR L OH  1 
ATOM   2380 N  N   . TYR B 2 88  ? 15.462  23.464 102.079 1.00 7.56  ? 103 TYR L N   1 
ATOM   2381 C  CA  . TYR B 2 88  ? 14.074  23.053 101.961 1.00 7.36  ? 103 TYR L CA  1 
ATOM   2382 C  C   . TYR B 2 88  ? 13.999  21.613 101.495 1.00 7.56  ? 103 TYR L C   1 
ATOM   2383 O  O   . TYR B 2 88  ? 14.700  21.235 100.522 1.00 7.81  ? 103 TYR L O   1 
ATOM   2384 C  CB  . TYR B 2 88  ? 13.324  23.912 100.921 1.00 7.42  ? 103 TYR L CB  1 
ATOM   2385 C  CG  . TYR B 2 88  ? 13.159  25.355 101.283 1.00 7.59  ? 103 TYR L CG  1 
ATOM   2386 C  CD1 . TYR B 2 88  ? 12.066  25.758 102.024 1.00 7.93  ? 103 TYR L CD1 1 
ATOM   2387 C  CD2 . TYR B 2 88  ? 14.053  26.327 100.890 1.00 7.89  ? 103 TYR L CD2 1 
ATOM   2388 C  CE1 . TYR B 2 88  ? 11.874  27.090 102.337 1.00 9.10  ? 103 TYR L CE1 1 
ATOM   2389 C  CE2 . TYR B 2 88  ? 13.879  27.661 101.190 1.00 8.46  ? 103 TYR L CE2 1 
ATOM   2390 C  CZ  . TYR B 2 88  ? 12.783  28.054 101.938 1.00 8.44  ? 103 TYR L CZ  1 
ATOM   2391 O  OH  . TYR B 2 88  ? 12.582  29.376 102.272 1.00 10.19 ? 103 TYR L OH  1 
ATOM   2392 N  N   . CYS B 2 89  ? 13.092  20.837 102.055 1.00 7.45  ? 104 CYS L N   1 
ATOM   2393 C  CA  . CYS B 2 89  ? 12.677  19.569 101.478 1.00 6.78  ? 104 CYS L CA  1 
ATOM   2394 C  C   . CYS B 2 89  ? 11.400  19.767 100.673 1.00 7.29  ? 104 CYS L C   1 
ATOM   2395 O  O   . CYS B 2 89  ? 10.666  20.715 100.866 1.00 8.51  ? 104 CYS L O   1 
ATOM   2396 C  CB  . CYS B 2 89  ? 12.535  18.477 102.531 1.00 7.77  ? 104 CYS L CB  1 
ATOM   2397 S  SG  . CYS B 2 89  ? 11.309  18.855 103.803 1.00 8.84  ? 104 CYS L SG  1 
ATOM   2398 N  N   . GLN B 2 90  ? 11.182  18.823 99.738  1.00 7.10  ? 105 GLN L N   1 
ATOM   2399 C  CA  . GLN B 2 90  ? 10.006  18.841 98.890  1.00 7.38  ? 105 GLN L CA  1 
ATOM   2400 C  C   . GLN B 2 90  ? 9.650   17.409 98.536  1.00 8.06  ? 105 GLN L C   1 
ATOM   2401 O  O   . GLN B 2 90  ? 10.543  16.597 98.236  1.00 8.90  ? 105 GLN L O   1 
ATOM   2402 C  CB  . GLN B 2 90  ? 10.272  19.574 97.574  1.00 8.21  ? 105 GLN L CB  1 
ATOM   2403 C  CG  . GLN B 2 90  ? 9.018   19.766 96.713  1.00 8.48  ? 105 GLN L CG  1 
ATOM   2404 C  CD  . GLN B 2 90  ? 9.328   20.037 95.250  1.00 8.70  ? 105 GLN L CD  1 
ATOM   2405 O  OE1 . GLN B 2 90  ? 10.447  19.810 94.750  1.00 10.36 ? 105 GLN L OE1 1 
ATOM   2406 N  NE2 . GLN B 2 90  ? 8.292   20.498 94.575  1.00 8.77  ? 105 GLN L NE2 1 
ATOM   2407 N  N   . GLN B 2 91  ? 8.363   17.098 98.547  1.00 8.30  ? 106 GLN L N   1 
ATOM   2408 C  CA  . GLN B 2 91  ? 7.915   15.823 98.002  1.00 8.54  ? 106 GLN L CA  1 
ATOM   2409 C  C   . GLN B 2 91  ? 7.287   16.072 96.628  1.00 8.34  ? 106 GLN L C   1 
ATOM   2410 O  O   . GLN B 2 91  ? 6.602   17.035 96.427  1.00 9.13  ? 106 GLN L O   1 
ATOM   2411 C  CB  . GLN B 2 91  ? 7.002   15.103 98.974  1.00 9.71  ? 106 GLN L CB  1 
ATOM   2412 C  CG  . GLN B 2 91  ? 5.628   15.673 99.142  1.00 10.12 ? 106 GLN L CG  1 
ATOM   2413 C  CD  . GLN B 2 91  ? 4.635   15.321 98.042  1.00 11.10 ? 106 GLN L CD  1 
ATOM   2414 O  OE1 . GLN B 2 91  ? 4.780   14.335 97.305  1.00 11.76 ? 106 GLN L OE1 1 
ATOM   2415 N  NE2 . GLN B 2 91  ? 3.585   16.098 97.951  1.00 13.24 ? 106 GLN L NE2 1 
ATOM   2416 N  N   . TYR B 2 92  ? 7.556   15.130 95.729  1.00 8.49  ? 107 TYR L N   1 
ATOM   2417 C  CA  . TYR B 2 92  ? 7.070   15.234 94.354  1.00 9.24  ? 107 TYR L CA  1 
ATOM   2418 C  C   . TYR B 2 92  ? 6.430   13.924 93.904  1.00 10.66 ? 107 TYR L C   1 
ATOM   2419 O  O   . TYR B 2 92  ? 6.437   13.595 92.700  1.00 13.66 ? 107 TYR L O   1 
ATOM   2420 C  CB  . TYR B 2 92  ? 8.175   15.785 93.440  1.00 9.06  ? 107 TYR L CB  1 
ATOM   2421 C  CG  . TYR B 2 92  ? 9.482   15.040 93.378  1.00 8.95  ? 107 TYR L CG  1 
ATOM   2422 C  CD1 . TYR B 2 92  ? 10.429  15.170 94.365  1.00 8.85  ? 107 TYR L CD1 1 
ATOM   2423 C  CD2 . TYR B 2 92  ? 9.799   14.162 92.355  1.00 9.55  ? 107 TYR L CD2 1 
ATOM   2424 C  CE1 . TYR B 2 92  ? 11.633  14.487 94.326  1.00 9.31  ? 107 TYR L CE1 1 
ATOM   2425 C  CE2 . TYR B 2 92  ? 10.996  13.483 92.287  1.00 9.20  ? 107 TYR L CE2 1 
ATOM   2426 C  CZ  . TYR B 2 92  ? 11.953  13.653 93.265  1.00 8.74  ? 107 TYR L CZ  1 
ATOM   2427 O  OH  . TYR B 2 92  ? 13.174  13.031 93.234  1.00 10.20 ? 107 TYR L OH  1 
ATOM   2428 N  N   . ASP B 2 93  ? 5.810   13.212 94.859  1.00 12.25 ? 108 ASP L N   1 
ATOM   2429 C  CA  . ASP B 2 93  ? 5.071   11.982 94.644  1.00 17.09 ? 108 ASP L CA  1 
ATOM   2430 C  C   . ASP B 2 93  ? 3.692   12.307 94.095  1.00 17.58 ? 108 ASP L C   1 
ATOM   2431 O  O   . ASP B 2 93  ? 3.229   11.675 93.184  1.00 23.46 ? 108 ASP L O   1 
ATOM   2432 C  CB  . ASP B 2 93  ? 4.928   11.229 95.962  1.00 22.05 ? 108 ASP L CB  1 
ATOM   2433 C  CG  . ASP B 2 93  ? 4.074   9.976  95.858  1.00 32.73 ? 108 ASP L CG  1 
ATOM   2434 O  OD1 . ASP B 2 93  ? 4.350   9.159  94.981  1.00 34.71 ? 108 ASP L OD1 1 
ATOM   2435 O  OD2 . ASP B 2 93  ? 3.144   9.827  96.688  1.00 46.18 ? 108 ASP L OD2 1 
ATOM   2436 N  N   . SER B 2 94  ? 2.989   13.216 94.754  1.00 18.00 ? 109 SER L N   1 
ATOM   2437 C  CA  . SER B 2 94  ? 1.637   13.553 94.371  1.00 19.76 ? 109 SER L CA  1 
ATOM   2438 C  C   . SER B 2 94  ? 1.384   15.027 94.613  1.00 16.57 ? 109 SER L C   1 
ATOM   2439 O  O   . SER B 2 94  ? 1.859   15.613 95.579  1.00 19.15 ? 109 SER L O   1 
ATOM   2440 C  CB  . SER B 2 94  ? 0.639   12.725 95.083  1.00 26.31 ? 109 SER L CB  1 
ATOM   2441 O  OG  . SER B 2 94  ? 0.801   12.915 96.457  1.00 28.12 ? 109 SER L OG  1 
ATOM   2442 N  N   . ALA B 2 95  ? 0.653   15.640 93.689  1.00 15.51 ? 114 ALA L N   1 
ATOM   2443 C  CA  . ALA B 2 95  ? 0.375   17.060 93.772  1.00 13.85 ? 114 ALA L CA  1 
ATOM   2444 C  C   . ALA B 2 95  ? -0.621  17.333 94.895  1.00 13.73 ? 114 ALA L C   1 
ATOM   2445 O  O   . ALA B 2 95  ? -1.514  16.519 95.189  1.00 16.82 ? 114 ALA L O   1 
ATOM   2446 C  CB  . ALA B 2 95  ? -0.159  17.546 92.451  1.00 15.10 ? 114 ALA L CB  1 
ATOM   2447 N  N   . PRO B 2 96  ? -0.500  18.472 95.601  1.00 13.47 ? 115 PRO L N   1 
ATOM   2448 C  CA  . PRO B 2 96  ? 0.544   19.462 95.396  1.00 11.77 ? 115 PRO L CA  1 
ATOM   2449 C  C   . PRO B 2 96  ? 1.910   18.984 95.852  1.00 10.15 ? 115 PRO L C   1 
ATOM   2450 O  O   . PRO B 2 96  ? 2.029   18.305 96.879  1.00 11.50 ? 115 PRO L O   1 
ATOM   2451 C  CB  . PRO B 2 96  ? 0.116   20.656 96.247  1.00 13.32 ? 115 PRO L CB  1 
ATOM   2452 C  CG  . PRO B 2 96  ? -0.704  20.007 97.345  1.00 15.57 ? 115 PRO L CG  1 
ATOM   2453 C  CD  . PRO B 2 96  ? -1.401  18.846 96.704  1.00 15.81 ? 115 PRO L CD  1 
ATOM   2454 N  N   . ASP B 2 97  ? 2.962   19.342 95.107  1.00 9.75  ? 116 ASP L N   1 
ATOM   2455 C  CA  . ASP B 2 97  ? 4.313   18.886 95.365  1.00 8.88  ? 116 ASP L CA  1 
ATOM   2456 C  C   . ASP B 2 97  ? 4.963   19.819 96.394  1.00 8.60  ? 116 ASP L C   1 
ATOM   2457 O  O   . ASP B 2 97  ? 5.805   20.681 96.108  1.00 8.27  ? 116 ASP L O   1 
ATOM   2458 C  CB  A ASP B 2 97  ? 5.155   18.869 94.096  0.50 8.55  ? 116 ASP L CB  1 
ATOM   2459 C  CB  B ASP B 2 97  ? 5.072   18.752 94.042  0.50 10.06 ? 116 ASP L CB  1 
ATOM   2460 C  CG  A ASP B 2 97  ? 4.735   17.838 93.074  0.50 8.55  ? 116 ASP L CG  1 
ATOM   2461 C  CG  B ASP B 2 97  ? 4.386   17.792 93.078  0.50 12.89 ? 116 ASP L CG  1 
ATOM   2462 O  OD1 A ASP B 2 97  ? 3.858   17.013 93.358  0.50 9.00  ? 116 ASP L OD1 1 
ATOM   2463 O  OD1 B ASP B 2 97  ? 3.317   18.135 92.593  0.50 17.52 ? 116 ASP L OD1 1 
ATOM   2464 O  OD2 A ASP B 2 97  ? 5.314   17.886 91.994  0.50 9.96  ? 116 ASP L OD2 1 
ATOM   2465 O  OD2 B ASP B 2 97  ? 4.909   16.691 92.852  0.50 17.31 ? 116 ASP L OD2 1 
ATOM   2466 N  N   . THR B 2 98  ? 4.515   19.610 97.647  1.00 9.43  ? 117 THR L N   1 
ATOM   2467 C  CA  . THR B 2 98  ? 4.729   20.538 98.732  1.00 9.74  ? 117 THR L CA  1 
ATOM   2468 C  C   . THR B 2 98  ? 6.177   20.597 99.211  1.00 8.30  ? 117 THR L C   1 
ATOM   2469 O  O   . THR B 2 98  ? 6.880   19.586 99.259  1.00 8.77  ? 117 THR L O   1 
ATOM   2470 C  CB  . THR B 2 98  ? 3.852   20.101 99.914  1.00 13.03 ? 117 THR L CB  1 
ATOM   2471 O  OG1 . THR B 2 98  ? 3.912   18.675 100.000 1.00 15.66 ? 117 THR L OG1 1 
ATOM   2472 C  CG2 . THR B 2 98  ? 2.428   20.534 99.673  1.00 13.56 ? 117 THR L CG2 1 
ATOM   2473 N  N   . PHE B 2 99  ? 6.547   21.811 99.615  1.00 8.43  ? 118 PHE L N   1 
ATOM   2474 C  CA  . PHE B 2 99  ? 7.801   22.081 100.298 1.00 7.95  ? 118 PHE L CA  1 
ATOM   2475 C  C   . PHE B 2 99  ? 7.556   22.119 101.806 1.00 7.74  ? 118 PHE L C   1 
ATOM   2476 O  O   . PHE B 2 99  ? 6.509   22.576 102.292 1.00 9.37  ? 118 PHE L O   1 
ATOM   2477 C  CB  . PHE B 2 99  ? 8.372   23.422 99.865  1.00 8.44  ? 118 PHE L CB  1 
ATOM   2478 C  CG  . PHE B 2 99  ? 8.847   23.483 98.445  1.00 8.34  ? 118 PHE L CG  1 
ATOM   2479 C  CD1 . PHE B 2 99  ? 7.968   23.745 97.405  1.00 9.27  ? 118 PHE L CD1 1 
ATOM   2480 C  CD2 . PHE B 2 99  ? 10.171  23.303 98.150  1.00 8.77  ? 118 PHE L CD2 1 
ATOM   2481 C  CE1 . PHE B 2 99  ? 8.430   23.745 96.097  1.00 9.80  ? 118 PHE L CE1 1 
ATOM   2482 C  CE2 . PHE B 2 99  ? 10.628  23.315 96.839  1.00 9.10  ? 118 PHE L CE2 1 
ATOM   2483 C  CZ  . PHE B 2 99  ? 9.751   23.537 95.814  1.00 9.22  ? 118 PHE L CZ  1 
ATOM   2484 N  N   . GLY B 2 100 ? 8.601   21.706 102.520 1.00 7.90  ? 119 GLY L N   1 
ATOM   2485 C  CA  . GLY B 2 100 ? 8.691   22.071 103.931 1.00 8.01  ? 119 GLY L CA  1 
ATOM   2486 C  C   . GLY B 2 100 ? 8.935   23.555 104.079 1.00 8.39  ? 119 GLY L C   1 
ATOM   2487 O  O   . GLY B 2 100 ? 9.141   24.276 103.123 1.00 8.16  ? 119 GLY L O   1 
ATOM   2488 N  N   . GLN B 2 101 ? 8.911   24.032 105.332 1.00 8.27  ? 120 GLN L N   1 
ATOM   2489 C  CA  . GLN B 2 101 ? 9.013   25.462 105.611 1.00 9.03  ? 120 GLN L CA  1 
ATOM   2490 C  C   . GLN B 2 101 ? 10.438  25.970 105.679 1.00 8.74  ? 120 GLN L C   1 
ATOM   2491 O  O   . GLN B 2 101 ? 10.651  27.174 105.856 1.00 11.20 ? 120 GLN L O   1 
ATOM   2492 C  CB  . GLN B 2 101 ? 8.245   25.841 106.867 1.00 11.29 ? 120 GLN L CB  1 
ATOM   2493 C  CG  . GLN B 2 101 ? 8.925   25.587 108.194 1.00 14.31 ? 120 GLN L CG  1 
ATOM   2494 C  CD  . GLN B 2 101 ? 9.006   24.157 108.683 1.00 17.04 ? 120 GLN L CD  1 
ATOM   2495 O  OE1 . GLN B 2 101 ? 8.683   23.170 108.002 1.00 12.41 ? 120 GLN L OE1 1 
ATOM   2496 N  NE2 . GLN B 2 101 ? 9.529   24.048 109.897 1.00 20.77 ? 120 GLN L NE2 1 
ATOM   2497 N  N   . GLY B 2 102 ? 11.420  25.076 105.549 1.00 8.58  ? 121 GLY L N   1 
ATOM   2498 C  CA  . GLY B 2 102 ? 12.836  25.442 105.514 1.00 8.59  ? 121 GLY L CA  1 
ATOM   2499 C  C   . GLY B 2 102 ? 13.504  25.364 106.891 1.00 9.50  ? 121 GLY L C   1 
ATOM   2500 O  O   . GLY B 2 102 ? 12.866  25.640 107.933 1.00 10.20 ? 121 GLY L O   1 
ATOM   2501 N  N   . THR B 2 103 ? 14.802  25.035 106.871 1.00 9.22  ? 122 THR L N   1 
ATOM   2502 C  CA  . THR B 2 103 ? 15.682  25.179 108.038 1.00 8.87  ? 122 THR L CA  1 
ATOM   2503 C  C   . THR B 2 103 ? 16.751  26.184 107.654 1.00 8.26  ? 122 THR L C   1 
ATOM   2504 O  O   . THR B 2 103 ? 17.457  25.999 106.648 1.00 8.28  ? 122 THR L O   1 
ATOM   2505 C  CB  . THR B 2 103 ? 16.352  23.866 108.457 1.00 9.26  ? 122 THR L CB  1 
ATOM   2506 O  OG1 . THR B 2 103 ? 15.333  22.950 108.894 1.00 9.75  ? 122 THR L OG1 1 
ATOM   2507 C  CG2 . THR B 2 103 ? 17.423  24.070 109.511 1.00 9.31  ? 122 THR L CG2 1 
ATOM   2508 N  N   . ARG B 2 104 ? 16.896  27.279 108.402 1.00 8.26  ? 123 ARG L N   1 
ATOM   2509 C  CA  . ARG B 2 104 ? 17.951  28.242 108.179 1.00 8.62  ? 123 ARG L CA  1 
ATOM   2510 C  C   . ARG B 2 104 ? 19.216  27.784 108.854 1.00 8.64  ? 123 ARG L C   1 
ATOM   2511 O  O   . ARG B 2 104 ? 19.209  27.691 110.099 1.00 10.74 ? 123 ARG L O   1 
ATOM   2512 C  CB  . ARG B 2 104 ? 17.574  29.633 108.705 1.00 9.98  ? 123 ARG L CB  1 
ATOM   2513 C  CG  . ARG B 2 104 ? 18.555  30.711 108.299 1.00 14.34 ? 123 ARG L CG  1 
ATOM   2514 C  CD  . ARG B 2 104 ? 18.189  32.114 108.740 1.00 19.73 ? 123 ARG L CD  1 
ATOM   2515 N  NE  . ARG B 2 104 ? 16.839  32.480 108.299 1.00 26.16 ? 123 ARG L NE  1 
ATOM   2516 C  CZ  . ARG B 2 104 ? 16.469  32.883 107.074 1.00 29.66 ? 123 ARG L CZ  1 
ATOM   2517 N  NH1 . ARG B 2 104 ? 17.355  33.260 106.177 1.00 28.94 ? 123 ARG L NH1 1 
ATOM   2518 N  NH2 . ARG B 2 104 ? 15.189  32.960 106.771 1.00 34.32 ? 123 ARG L NH2 1 
ATOM   2519 N  N   . LEU B 2 105 ? 20.283  27.527 108.124 1.00 7.74  ? 124 LEU L N   1 
ATOM   2520 C  CA  . LEU B 2 105 ? 21.584  27.161 108.637 1.00 7.91  ? 124 LEU L CA  1 
ATOM   2521 C  C   . LEU B 2 105 ? 22.467  28.386 108.625 1.00 7.86  ? 124 LEU L C   1 
ATOM   2522 O  O   . LEU B 2 105 ? 22.691  28.995 107.575 1.00 8.47  ? 124 LEU L O   1 
ATOM   2523 C  CB  . LEU B 2 105 ? 22.202  26.064 107.779 1.00 8.09  ? 124 LEU L CB  1 
ATOM   2524 C  CG  . LEU B 2 105 ? 23.609  25.628 108.201 1.00 9.06  ? 124 LEU L CG  1 
ATOM   2525 C  CD1 . LEU B 2 105 ? 23.632  25.006 109.574 1.00 10.57 ? 124 LEU L CD1 1 
ATOM   2526 C  CD2 . LEU B 2 105 ? 24.218  24.674 107.215 1.00 10.21 ? 124 LEU L CD2 1 
ATOM   2527 N  N   . GLU B 2 106 ? 22.961  28.779 109.805 1.00 8.81  ? 125 GLU L N   1 
ATOM   2528 C  CA  . GLU B 2 106 ? 23.840  29.879 110.021 1.00 9.68  ? 125 GLU L CA  1 
ATOM   2529 C  C   . GLU B 2 106 ? 25.181  29.309 110.465 1.00 9.38  ? 125 GLU L C   1 
ATOM   2530 O  O   . GLU B 2 106 ? 25.232  28.294 111.139 1.00 9.44  ? 125 GLU L O   1 
ATOM   2531 C  CB  . GLU B 2 106 ? 23.208  30.814 111.070 1.00 13.09 ? 125 GLU L CB  1 
ATOM   2532 C  CG  . GLU B 2 106 ? 21.765  31.185 110.775 1.00 17.15 ? 125 GLU L CG  1 
ATOM   2533 C  CD  . GLU B 2 106 ? 21.073  32.106 111.760 1.00 23.44 ? 125 GLU L CD  1 
ATOM   2534 O  OE1 . GLU B 2 106 ? 21.638  32.305 112.812 1.00 35.22 ? 125 GLU L OE1 1 
ATOM   2535 O  OE2 . GLU B 2 106 ? 19.956  32.565 111.465 1.00 30.86 ? 125 GLU L OE2 1 
ATOM   2536 N  N   . ILE B 2 107 ? 26.254  29.997 110.107 1.00 10.35 ? 126 ILE L N   1 
ATOM   2537 C  CA  . ILE B 2 107 ? 27.591  29.558 110.447 1.00 11.28 ? 126 ILE L CA  1 
ATOM   2538 C  C   . ILE B 2 107 ? 28.089  30.369 111.636 1.00 10.97 ? 126 ILE L C   1 
ATOM   2539 O  O   . ILE B 2 107 ? 28.127  31.592 111.627 1.00 12.59 ? 126 ILE L O   1 
ATOM   2540 C  CB  . ILE B 2 107 ? 28.552  29.670 109.272 1.00 12.43 ? 126 ILE L CB  1 
ATOM   2541 C  CG1 . ILE B 2 107 ? 27.986  29.047 108.002 1.00 15.05 ? 126 ILE L CG1 1 
ATOM   2542 C  CG2 . ILE B 2 107 ? 29.923  29.144 109.635 1.00 13.83 ? 126 ILE L CG2 1 
ATOM   2543 C  CD1 . ILE B 2 107 ? 27.714  27.604 108.053 1.00 15.58 ? 126 ILE L CD1 1 
ATOM   2544 N  N   . LYS B 2 108 ? 28.494  29.629 112.653 1.00 10.04 ? 127 LYS L N   1 
ATOM   2545 C  CA  . LYS B 2 108 ? 29.085  30.202 113.862 1.00 9.67  ? 127 LYS L CA  1 
ATOM   2546 C  C   . LYS B 2 108 ? 30.545  30.484 113.603 1.00 9.66  ? 127 LYS L C   1 
ATOM   2547 O  O   . LYS B 2 108 ? 31.235  29.761 112.876 1.00 11.10 ? 127 LYS L O   1 
ATOM   2548 C  CB  . LYS B 2 108 ? 28.920  29.268 115.050 1.00 11.65 ? 127 LYS L CB  1 
ATOM   2549 C  CG  . LYS B 2 108 ? 27.531  29.231 115.681 1.00 12.52 ? 127 LYS L CG  1 
ATOM   2550 C  CD  . LYS B 2 108 ? 27.462  28.499 117.040 1.00 14.55 ? 127 LYS L CD  1 
ATOM   2551 C  CE  . LYS B 2 108 ? 26.118  28.638 117.692 1.00 15.46 ? 127 LYS L CE  1 
ATOM   2552 N  NZ  . LYS B 2 108 ? 25.989  27.916 118.988 1.00 15.69 ? 127 LYS L NZ  1 
ATOM   2553 N  N   . ARG B 2 109 ? 31.020  31.562 114.201 1.00 10.72 ? 128 ARG L N   1 
ATOM   2554 C  CA  . ARG B 2 109 ? 32.437  31.908 114.235 1.00 10.52 ? 128 ARG L CA  1 
ATOM   2555 C  C   . ARG B 2 109 ? 32.745  32.610 115.557 1.00 10.80 ? 128 ARG L C   1 
ATOM   2556 O  O   . ARG B 2 109 ? 31.842  32.849 116.362 1.00 11.50 ? 128 ARG L O   1 
ATOM   2557 C  CB  . ARG B 2 109 ? 32.815  32.784 113.043 1.00 11.53 ? 128 ARG L CB  1 
ATOM   2558 C  CG  . ARG B 2 109 ? 32.014  34.077 112.973 1.00 12.96 ? 128 ARG L CG  1 
ATOM   2559 C  CD  . ARG B 2 109 ? 32.734  35.170 112.230 1.00 13.56 ? 128 ARG L CD  1 
ATOM   2560 N  NE  . ARG B 2 109 ? 33.858  35.625 113.025 1.00 14.34 ? 128 ARG L NE  1 
ATOM   2561 C  CZ  . ARG B 2 109 ? 35.112  35.784 112.621 1.00 13.76 ? 128 ARG L CZ  1 
ATOM   2562 N  NH1 . ARG B 2 109 ? 35.424  35.722 111.340 1.00 15.17 ? 128 ARG L NH1 1 
ATOM   2563 N  NH2 . ARG B 2 109 ? 36.051  36.102 113.483 1.00 17.49 ? 128 ARG L NH2 1 
ATOM   2564 N  N   . THR B 2 110 ? 34.035  32.913 115.767 1.00 11.25 ? 129 THR L N   1 
ATOM   2565 C  CA  . THR B 2 110 ? 34.427  33.585 116.981 1.00 10.64 ? 129 THR L CA  1 
ATOM   2566 C  C   . THR B 2 110 ? 33.976  35.038 116.908 1.00 10.62 ? 129 THR L C   1 
ATOM   2567 O  O   . THR B 2 110 ? 33.801  35.637 115.835 1.00 11.87 ? 129 THR L O   1 
ATOM   2568 C  CB  . THR B 2 110 ? 35.927  33.437 117.213 1.00 12.77 ? 129 THR L CB  1 
ATOM   2569 O  OG1 . THR B 2 110 ? 36.642  33.960 116.084 1.00 13.24 ? 129 THR L OG1 1 
ATOM   2570 C  CG2 . THR B 2 110 ? 36.317  31.996 117.438 1.00 13.23 ? 129 THR L CG2 1 
ATOM   2571 N  N   . VAL B 2 111 ? 33.854  35.653 118.074 1.00 9.78  ? 130 VAL L N   1 
ATOM   2572 C  CA  . VAL B 2 111 ? 33.307  36.985 118.192 1.00 9.92  ? 130 VAL L CA  1 
ATOM   2573 C  C   . VAL B 2 111 ? 34.210  37.985 117.467 1.00 10.00 ? 130 VAL L C   1 
ATOM   2574 O  O   . VAL B 2 111 ? 35.427  37.962 117.602 1.00 12.67 ? 130 VAL L O   1 
ATOM   2575 C  CB  A VAL B 2 111 ? 33.147  37.339 119.675 0.50 10.07 ? 130 VAL L CB  1 
ATOM   2576 C  CB  B VAL B 2 111 ? 33.079  37.349 119.680 0.50 10.77 ? 130 VAL L CB  1 
ATOM   2577 C  CG1 A VAL B 2 111 ? 34.507  37.451 120.377 0.50 10.57 ? 130 VAL L CG1 1 
ATOM   2578 C  CG1 B VAL B 2 111 ? 32.797  38.812 119.890 0.50 11.94 ? 130 VAL L CG1 1 
ATOM   2579 C  CG2 A VAL B 2 111 ? 32.289  38.570 119.808 0.50 9.87  ? 130 VAL L CG2 1 
ATOM   2580 C  CG2 B VAL B 2 111 ? 31.947  36.544 120.316 0.50 11.02 ? 130 VAL L CG2 1 
ATOM   2581 N  N   . ALA B 2 112 ? 33.561  38.885 116.715 1.00 9.62  ? 131 ALA L N   1 
ATOM   2582 C  CA  . ALA B 2 112 ? 34.209  39.913 115.925 1.00 9.57  ? 131 ALA L CA  1 
ATOM   2583 C  C   . ALA B 2 112 ? 33.430  41.220 116.115 1.00 9.29  ? 131 ALA L C   1 
ATOM   2584 O  O   . ALA B 2 112 ? 32.248  41.313 115.823 1.00 9.97  ? 131 ALA L O   1 
ATOM   2585 C  CB  . ALA B 2 112 ? 34.266  39.515 114.471 1.00 10.91 ? 131 ALA L CB  1 
ATOM   2586 N  N   . ALA B 2 113 ? 34.125  42.249 116.612 1.00 9.38  ? 132 ALA L N   1 
ATOM   2587 C  CA  . ALA B 2 113 ? 33.533  43.553 116.818 1.00 9.13  ? 132 ALA L CA  1 
ATOM   2588 C  C   . ALA B 2 113 ? 33.383  44.299 115.500 1.00 8.76  ? 132 ALA L C   1 
ATOM   2589 O  O   . ALA B 2 113 ? 34.251  44.194 114.610 1.00 10.71 ? 132 ALA L O   1 
ATOM   2590 C  CB  . ALA B 2 113 ? 34.389  44.383 117.763 1.00 10.32 ? 132 ALA L CB  1 
ATOM   2591 N  N   . PRO B 2 114 ? 32.358  45.145 115.379 1.00 8.35  ? 133 PRO L N   1 
ATOM   2592 C  CA  . PRO B 2 114 ? 32.204  45.960 114.168 1.00 9.34  ? 133 PRO L CA  1 
ATOM   2593 C  C   . PRO B 2 114 ? 33.189  47.109 114.112 1.00 10.17 ? 133 PRO L C   1 
ATOM   2594 O  O   . PRO B 2 114 ? 33.545  47.662 115.156 1.00 13.00 ? 133 PRO L O   1 
ATOM   2595 C  CB  . PRO B 2 114 ? 30.795  46.514 114.340 1.00 10.13 ? 133 PRO L CB  1 
ATOM   2596 C  CG  . PRO B 2 114 ? 30.552  46.560 115.788 1.00 10.96 ? 133 PRO L CG  1 
ATOM   2597 C  CD  . PRO B 2 114 ? 31.252  45.354 116.335 1.00 9.41  ? 133 PRO L CD  1 
ATOM   2598 N  N   . SER B 2 115 ? 33.607  47.459 112.898 1.00 10.55 ? 134 SER L N   1 
ATOM   2599 C  CA  . SER B 2 115 ? 34.190  48.756 112.603 1.00 11.06 ? 134 SER L CA  1 
ATOM   2600 C  C   . SER B 2 115 ? 33.041  49.688 112.241 1.00 10.48 ? 134 SER L C   1 
ATOM   2601 O  O   . SER B 2 115 ? 32.180  49.307 111.434 1.00 13.95 ? 134 SER L O   1 
ATOM   2602 C  CB  . SER B 2 115 ? 35.140  48.636 111.419 1.00 12.42 ? 134 SER L CB  1 
ATOM   2603 O  OG  . SER B 2 115 ? 36.227  47.777 111.724 1.00 14.53 ? 134 SER L OG  1 
ATOM   2604 N  N   . VAL B 2 116 ? 33.057  50.916 112.764 1.00 9.13  ? 135 VAL L N   1 
ATOM   2605 C  CA  . VAL B 2 116 ? 31.934  51.808 112.618 1.00 9.54  ? 135 VAL L CA  1 
ATOM   2606 C  C   . VAL B 2 116 ? 32.327  53.027 111.781 1.00 10.48 ? 135 VAL L C   1 
ATOM   2607 O  O   . VAL B 2 116 ? 33.342  53.653 112.020 1.00 12.27 ? 135 VAL L O   1 
ATOM   2608 C  CB  . VAL B 2 116 ? 31.331  52.213 113.979 1.00 10.35 ? 135 VAL L CB  1 
ATOM   2609 C  CG1 . VAL B 2 116 ? 30.083  53.073 113.788 1.00 11.48 ? 135 VAL L CG1 1 
ATOM   2610 C  CG2 . VAL B 2 116 ? 31.023  50.991 114.840 1.00 10.47 ? 135 VAL L CG2 1 
ATOM   2611 N  N   . PHE B 2 117 ? 31.459  53.347 110.820 1.00 11.01 ? 136 PHE L N   1 
ATOM   2612 C  CA  . PHE B 2 117 ? 31.657  54.495 109.948 1.00 12.18 ? 136 PHE L CA  1 
ATOM   2613 C  C   . PHE B 2 117 ? 30.364  55.295 109.874 1.00 11.74 ? 136 PHE L C   1 
ATOM   2614 O  O   . PHE B 2 117 ? 29.281  54.737 110.002 1.00 13.69 ? 136 PHE L O   1 
ATOM   2615 C  CB  . PHE B 2 117 ? 32.031  54.054 108.523 1.00 12.34 ? 136 PHE L CB  1 
ATOM   2616 C  CG  . PHE B 2 117 ? 33.187  53.095 108.408 1.00 14.53 ? 136 PHE L CG  1 
ATOM   2617 C  CD1 . PHE B 2 117 ? 33.002  51.743 108.567 1.00 14.52 ? 136 PHE L CD1 1 
ATOM   2618 C  CD2 . PHE B 2 117 ? 34.459  53.532 108.180 1.00 18.53 ? 136 PHE L CD2 1 
ATOM   2619 C  CE1 . PHE B 2 117 ? 34.051  50.857 108.428 1.00 15.30 ? 136 PHE L CE1 1 
ATOM   2620 C  CE2 . PHE B 2 117 ? 35.517  52.651 108.043 1.00 19.58 ? 136 PHE L CE2 1 
ATOM   2621 C  CZ  . PHE B 2 117 ? 35.316  51.319 108.212 1.00 17.17 ? 136 PHE L CZ  1 
ATOM   2622 N  N   . ILE B 2 118 ? 30.483  56.610 109.682 1.00 13.39 ? 137 ILE L N   1 
ATOM   2623 C  CA  . ILE B 2 118 ? 29.307  57.465 109.613 1.00 12.85 ? 137 ILE L CA  1 
ATOM   2624 C  C   . ILE B 2 118 ? 29.437  58.388 108.403 1.00 13.71 ? 137 ILE L C   1 
ATOM   2625 O  O   . ILE B 2 118 ? 30.531  58.855 108.061 1.00 14.61 ? 137 ILE L O   1 
ATOM   2626 C  CB  . ILE B 2 118 ? 29.075  58.229 110.931 1.00 14.07 ? 137 ILE L CB  1 
ATOM   2627 C  CG1 . ILE B 2 118 ? 27.679  58.859 110.980 1.00 14.85 ? 137 ILE L CG1 1 
ATOM   2628 C  CG2 . ILE B 2 118 ? 30.206  59.217 111.212 1.00 15.27 ? 137 ILE L CG2 1 
ATOM   2629 C  CD1 . ILE B 2 118 ? 27.252  59.450 112.339 1.00 15.17 ? 137 ILE L CD1 1 
ATOM   2630 N  N   . PHE B 2 119 ? 28.318  58.541 107.697 1.00 13.39 ? 138 PHE L N   1 
ATOM   2631 C  CA  . PHE B 2 119 ? 28.246  59.325 106.473 1.00 15.55 ? 138 PHE L CA  1 
ATOM   2632 C  C   . PHE B 2 119 ? 27.199  60.420 106.626 1.00 15.93 ? 138 PHE L C   1 
ATOM   2633 O  O   . PHE B 2 119 ? 26.014  60.167 106.833 1.00 16.53 ? 138 PHE L O   1 
ATOM   2634 C  CB  . PHE B 2 119 ? 27.865  58.445 105.287 1.00 16.07 ? 138 PHE L CB  1 
ATOM   2635 C  CG  . PHE B 2 119 ? 28.739  57.255 105.073 1.00 16.49 ? 138 PHE L CG  1 
ATOM   2636 C  CD1 . PHE B 2 119 ? 29.933  57.347 104.378 1.00 19.35 ? 138 PHE L CD1 1 
ATOM   2637 C  CD2 . PHE B 2 119 ? 28.362  56.043 105.582 1.00 17.32 ? 138 PHE L CD2 1 
ATOM   2638 C  CE1 . PHE B 2 119 ? 30.711  56.221 104.224 1.00 22.34 ? 138 PHE L CE1 1 
ATOM   2639 C  CE2 . PHE B 2 119 ? 29.160  54.929 105.463 1.00 20.93 ? 138 PHE L CE2 1 
ATOM   2640 C  CZ  . PHE B 2 119 ? 30.333  55.024 104.790 1.00 21.28 ? 138 PHE L CZ  1 
ATOM   2641 N  N   . PRO B 2 120 ? 27.589  61.692 106.478 1.00 18.14 ? 139 PRO L N   1 
ATOM   2642 C  CA  . PRO B 2 120 ? 26.607  62.760 106.461 1.00 18.77 ? 139 PRO L CA  1 
ATOM   2643 C  C   . PRO B 2 120 ? 25.755  62.729 105.200 1.00 17.58 ? 139 PRO L C   1 
ATOM   2644 O  O   . PRO B 2 120 ? 26.121  62.124 104.193 1.00 17.96 ? 139 PRO L O   1 
ATOM   2645 C  CB  . PRO B 2 120 ? 27.473  64.020 106.496 1.00 21.62 ? 139 PRO L CB  1 
ATOM   2646 C  CG  . PRO B 2 120 ? 28.778  63.566 107.097 1.00 24.62 ? 139 PRO L CG  1 
ATOM   2647 C  CD  . PRO B 2 120 ? 28.976  62.185 106.503 1.00 21.43 ? 139 PRO L CD  1 
ATOM   2648 N  N   . PRO B 2 121 ? 24.628  63.457 105.199 1.00 18.21 ? 140 PRO L N   1 
ATOM   2649 C  CA  . PRO B 2 121 ? 23.879  63.666 103.958 1.00 19.69 ? 140 PRO L CA  1 
ATOM   2650 C  C   . PRO B 2 121 ? 24.720  64.427 102.944 1.00 19.54 ? 140 PRO L C   1 
ATOM   2651 O  O   . PRO B 2 121 ? 25.507  65.308 103.302 1.00 21.47 ? 140 PRO L O   1 
ATOM   2652 C  CB  . PRO B 2 121 ? 22.635  64.454 104.375 1.00 22.97 ? 140 PRO L CB  1 
ATOM   2653 C  CG  . PRO B 2 121 ? 22.934  64.982 105.722 1.00 23.98 ? 140 PRO L CG  1 
ATOM   2654 C  CD  . PRO B 2 121 ? 23.996  64.115 106.355 1.00 20.72 ? 140 PRO L CD  1 
ATOM   2655 N  N   . SER B 2 122 ? 24.493  64.099 101.669 1.00 20.58 ? 141 SER L N   1 
ATOM   2656 C  CA  . SER B 2 122 ? 25.118  64.811 100.565 1.00 21.28 ? 141 SER L CA  1 
ATOM   2657 C  C   . SER B 2 122 ? 24.406  66.138 100.360 1.00 21.12 ? 141 SER L C   1 
ATOM   2658 O  O   . SER B 2 122 ? 23.222  66.283 100.656 1.00 23.33 ? 141 SER L O   1 
ATOM   2659 C  CB  . SER B 2 122 ? 25.099  63.969 99.304  1.00 22.98 ? 141 SER L CB  1 
ATOM   2660 O  OG  . SER B 2 122 ? 23.779  63.789 98.798  1.00 22.86 ? 141 SER L OG  1 
ATOM   2661 N  N   . ASP B 2 123 ? 25.156  67.110 99.855  1.00 26.05 ? 142 ASP L N   1 
ATOM   2662 C  CA  . ASP B 2 123 ? 24.581  68.381 99.448  1.00 30.37 ? 142 ASP L CA  1 
ATOM   2663 C  C   . ASP B 2 123 ? 23.545  68.186 98.340  1.00 31.67 ? 142 ASP L C   1 
ATOM   2664 O  O   . ASP B 2 123 ? 22.521  68.871 98.316  1.00 34.82 ? 142 ASP L O   1 
ATOM   2665 C  CB  . ASP B 2 123 ? 25.697  69.322 99.021  1.00 32.76 ? 142 ASP L CB  1 
ATOM   2666 C  CG  . ASP B 2 123 ? 26.519  69.854 100.176 1.00 36.11 ? 142 ASP L CG  1 
ATOM   2667 O  OD1 . ASP B 2 123 ? 26.124  69.655 101.344 1.00 34.79 ? 142 ASP L OD1 1 
ATOM   2668 O  OD2 . ASP B 2 123 ? 27.536  70.494 99.880  1.00 44.85 ? 142 ASP L OD2 1 
ATOM   2669 N  N   . GLU B 2 124 ? 23.778  67.197 97.473  1.00 29.79 ? 143 GLU L N   1 
ATOM   2670 C  CA  . GLU B 2 124 ? 22.828  66.853 96.426  1.00 30.03 ? 143 GLU L CA  1 
ATOM   2671 C  C   . GLU B 2 124 ? 21.468  66.512 97.036  1.00 26.61 ? 143 GLU L C   1 
ATOM   2672 O  O   . GLU B 2 124 ? 20.431  67.010 96.603  1.00 28.84 ? 143 GLU L O   1 
ATOM   2673 C  CB  . GLU B 2 124 ? 23.352  65.703 95.563  1.00 33.38 ? 143 GLU L CB  1 
ATOM   2674 C  CG  . GLU B 2 124 ? 22.452  65.390 94.369  1.00 38.35 ? 143 GLU L CG  1 
ATOM   2675 C  CD  . GLU B 2 124 ? 22.791  64.139 93.558  1.00 40.45 ? 143 GLU L CD  1 
ATOM   2676 O  OE1 . GLU B 2 124 ? 23.809  63.454 93.884  1.00 43.42 ? 143 GLU L OE1 1 
ATOM   2677 O  OE2 . GLU B 2 124 ? 22.023  63.824 92.596  1.00 51.45 ? 143 GLU L OE2 1 
ATOM   2678 N  N   . GLN B 2 125 ? 21.475  65.682 98.088  1.00 24.62 ? 144 GLN L N   1 
ATOM   2679 C  CA  . GLN B 2 125 ? 20.226  65.242 98.688  1.00 21.37 ? 144 GLN L CA  1 
ATOM   2680 C  C   . GLN B 2 125 ? 19.530  66.415 99.386  1.00 24.53 ? 144 GLN L C   1 
ATOM   2681 O  O   . GLN B 2 125 ? 18.308  66.553 99.335  1.00 27.19 ? 144 GLN L O   1 
ATOM   2682 C  CB  . GLN B 2 125 ? 20.446  64.088 99.670  1.00 21.28 ? 144 GLN L CB  1 
ATOM   2683 C  CG  . GLN B 2 125 ? 19.126  63.604 100.227 1.00 19.97 ? 144 GLN L CG  1 
ATOM   2684 C  CD  . GLN B 2 125 ? 19.258  62.549 101.291 1.00 19.49 ? 144 GLN L CD  1 
ATOM   2685 O  OE1 . GLN B 2 125 ? 20.284  62.414 101.968 1.00 19.65 ? 144 GLN L OE1 1 
ATOM   2686 N  NE2 . GLN B 2 125 ? 18.161  61.855 101.514 1.00 21.09 ? 144 GLN L NE2 1 
ATOM   2687 N  N   . LEU B 2 126 ? 20.299  67.262 100.068 1.00 27.32 ? 145 LEU L N   1 
ATOM   2688 C  CA  . LEU B 2 126 ? 19.699  68.334 100.850 1.00 29.39 ? 145 LEU L CA  1 
ATOM   2689 C  C   . LEU B 2 126 ? 18.871  69.263 99.952  1.00 34.66 ? 145 LEU L C   1 
ATOM   2690 O  O   . LEU B 2 126 ? 17.860  69.821 100.372 1.00 39.20 ? 145 LEU L O   1 
ATOM   2691 C  CB  . LEU B 2 126 ? 20.813  69.062 101.605 1.00 30.73 ? 145 LEU L CB  1 
ATOM   2692 C  CG  . LEU B 2 126 ? 21.495  68.246 102.691 1.00 29.57 ? 145 LEU L CG  1 
ATOM   2693 C  CD1 . LEU B 2 126 ? 22.696  68.965 103.301 1.00 31.53 ? 145 LEU L CD1 1 
ATOM   2694 C  CD2 . LEU B 2 126 ? 20.502  67.867 103.772 1.00 30.34 ? 145 LEU L CD2 1 
ATOM   2695 N  N   . LYS B 2 127 ? 19.231  69.334 98.679  1.00 38.06 ? 146 LYS L N   1 
ATOM   2696 C  CA  . LYS B 2 127 ? 18.446  70.162 97.776  1.00 41.76 ? 146 LYS L CA  1 
ATOM   2697 C  C   . LYS B 2 127 ? 16.993  69.687 97.686  1.00 46.27 ? 146 LYS L C   1 
ATOM   2698 O  O   . LYS B 2 127 ? 16.153  70.464 97.255  1.00 49.95 ? 146 LYS L O   1 
ATOM   2699 C  CB  . LYS B 2 127 ? 19.044  70.183 96.370  1.00 45.17 ? 146 LYS L CB  1 
ATOM   2700 C  CG  . LYS B 2 127 ? 20.420  70.819 96.282  1.00 49.46 ? 146 LYS L CG  1 
ATOM   2701 C  CD  . LYS B 2 127 ? 20.968  70.800 94.879  1.00 57.73 ? 146 LYS L CD  1 
ATOM   2702 C  CE  . LYS B 2 127 ? 22.338  71.431 94.781  1.00 63.42 ? 146 LYS L CE  1 
ATOM   2703 N  NZ  . LYS B 2 127 ? 22.858  71.367 93.396  1.00 65.58 ? 146 LYS L NZ  1 
ATOM   2704 N  N   . SER B 2 128 ? 16.712  68.427 98.055  1.00 44.17 ? 147 SER L N   1 
ATOM   2705 C  CA  . SER B 2 128 ? 15.404  67.815 97.867  1.00 46.21 ? 147 SER L CA  1 
ATOM   2706 C  C   . SER B 2 128 ? 14.526  67.905 99.116  1.00 43.75 ? 147 SER L C   1 
ATOM   2707 O  O   . SER B 2 128 ? 13.389  67.442 99.077  1.00 46.59 ? 147 SER L O   1 
ATOM   2708 C  CB  . SER B 2 128 ? 15.550  66.360 97.460  1.00 51.15 ? 147 SER L CB  1 
ATOM   2709 O  OG  . SER B 2 128 ? 15.984  65.534 98.549  1.00 55.91 ? 147 SER L OG  1 
ATOM   2710 N  N   . GLY B 2 129 ? 15.051  68.426 100.234 1.00 39.46 ? 148 GLY L N   1 
ATOM   2711 C  CA  . GLY B 2 129 ? 14.242  68.631 101.433 1.00 37.51 ? 148 GLY L CA  1 
ATOM   2712 C  C   . GLY B 2 129 ? 14.371  67.536 102.501 1.00 34.25 ? 148 GLY L C   1 
ATOM   2713 O  O   . GLY B 2 129 ? 13.821  67.692 103.594 1.00 33.10 ? 148 GLY L O   1 
ATOM   2714 N  N   . THR B 2 130 ? 15.059  66.432 102.177 1.00 31.22 ? 149 THR L N   1 
ATOM   2715 C  CA  . THR B 2 130 ? 15.279  65.338 103.118 1.00 27.60 ? 149 THR L CA  1 
ATOM   2716 C  C   . THR B 2 130 ? 16.780  65.132 103.329 1.00 24.30 ? 149 THR L C   1 
ATOM   2717 O  O   . THR B 2 130 ? 17.592  65.409 102.459 1.00 25.64 ? 149 THR L O   1 
ATOM   2718 C  CB  . THR B 2 130 ? 14.606  64.042 102.628 1.00 28.62 ? 149 THR L CB  1 
ATOM   2719 O  OG1 . THR B 2 130 ? 13.195  64.265 102.565 1.00 32.46 ? 149 THR L OG1 1 
ATOM   2720 C  CG2 . THR B 2 130 ? 14.846  62.847 103.528 1.00 30.55 ? 149 THR L CG2 1 
ATOM   2721 N  N   . ALA B 2 131 ? 17.147  64.692 104.533 1.00 24.30 ? 150 ALA L N   1 
ATOM   2722 C  CA  . ALA B 2 131 ? 18.518  64.375 104.869 1.00 22.13 ? 150 ALA L CA  1 
ATOM   2723 C  C   . ALA B 2 131 ? 18.564  62.942 105.394 1.00 19.19 ? 150 ALA L C   1 
ATOM   2724 O  O   . ALA B 2 131 ? 17.857  62.590 106.333 1.00 23.22 ? 150 ALA L O   1 
ATOM   2725 C  CB  . ALA B 2 131 ? 19.025  65.338 105.915 1.00 21.97 ? 150 ALA L CB  1 
ATOM   2726 N  N   . SER B 2 132 ? 19.416  62.124 104.788 1.00 15.98 ? 151 SER L N   1 
ATOM   2727 C  CA  . SER B 2 132 ? 19.683  60.775 105.251 1.00 16.49 ? 151 SER L CA  1 
ATOM   2728 C  C   . SER B 2 132 ? 21.087  60.741 105.835 1.00 15.39 ? 151 SER L C   1 
ATOM   2729 O  O   . SER B 2 132 ? 22.041  61.168 105.193 1.00 16.99 ? 151 SER L O   1 
ATOM   2730 C  CB  . SER B 2 132 ? 19.549  59.772 104.129 1.00 15.98 ? 151 SER L CB  1 
ATOM   2731 O  OG  . SER B 2 132 ? 18.287  59.826 103.496 1.00 17.48 ? 151 SER L OG  1 
ATOM   2732 N  N   . VAL B 2 133 ? 21.211  60.227 107.066 1.00 16.23 ? 152 VAL L N   1 
ATOM   2733 C  CA  . VAL B 2 133 ? 22.489  60.017 107.737 1.00 14.70 ? 152 VAL L CA  1 
ATOM   2734 C  C   . VAL B 2 133 ? 22.656  58.511 107.890 1.00 13.32 ? 152 VAL L C   1 
ATOM   2735 O  O   . VAL B 2 133 ? 21.727  57.837 108.305 1.00 14.64 ? 152 VAL L O   1 
ATOM   2736 C  CB  . VAL B 2 133 ? 22.534  60.709 109.121 1.00 16.41 ? 152 VAL L CB  1 
ATOM   2737 C  CG1 . VAL B 2 133 ? 23.952  60.839 109.629 1.00 18.14 ? 152 VAL L CG1 1 
ATOM   2738 C  CG2 . VAL B 2 133 ? 21.821  62.053 109.121 1.00 17.37 ? 152 VAL L CG2 1 
ATOM   2739 N  N   . VAL B 2 134 ? 23.821  57.983 107.515 1.00 13.20 ? 153 VAL L N   1 
ATOM   2740 C  CA  . VAL B 2 134 ? 24.018  56.554 107.444 1.00 12.59 ? 153 VAL L CA  1 
ATOM   2741 C  C   . VAL B 2 134 ? 25.156  56.162 108.388 1.00 11.65 ? 153 VAL L C   1 
ATOM   2742 O  O   . VAL B 2 134 ? 26.240  56.753 108.377 1.00 12.82 ? 153 VAL L O   1 
ATOM   2743 C  CB  . VAL B 2 134 ? 24.283  56.073 106.003 1.00 13.17 ? 153 VAL L CB  1 
ATOM   2744 C  CG1 . VAL B 2 134 ? 24.602  54.589 105.953 1.00 13.78 ? 153 VAL L CG1 1 
ATOM   2745 C  CG2 . VAL B 2 134 ? 23.094  56.380 105.098 1.00 15.28 ? 153 VAL L CG2 1 
ATOM   2746 N  N   . CYS B 2 135 ? 24.884  55.114 109.174 1.00 12.72 ? 154 CYS L N   1 
ATOM   2747 C  CA  . CYS B 2 135 ? 25.885  54.519 110.038 1.00 13.60 ? 154 CYS L CA  1 
ATOM   2748 C  C   . CYS B 2 135 ? 26.106  53.086 109.550 1.00 11.62 ? 154 CYS L C   1 
ATOM   2749 O  O   . CYS B 2 135 ? 25.138  52.326 109.364 1.00 13.96 ? 154 CYS L O   1 
ATOM   2750 C  CB  . CYS B 2 135 ? 25.361  54.543 111.454 1.00 14.53 ? 154 CYS L CB  1 
ATOM   2751 S  SG  . CYS B 2 135 ? 26.518  53.939 112.699 1.00 17.02 ? 154 CYS L SG  1 
ATOM   2752 N  N   . LEU B 2 136 ? 27.380  52.727 109.363 1.00 11.66 ? 155 LEU L N   1 
ATOM   2753 C  CA  . LEU B 2 136 ? 27.768  51.412 108.876 1.00 11.33 ? 155 LEU L CA  1 
ATOM   2754 C  C   . LEU B 2 136 ? 28.506  50.685 110.014 1.00 10.24 ? 155 LEU L C   1 
ATOM   2755 O  O   . LEU B 2 136 ? 29.474  51.237 110.539 1.00 10.22 ? 155 LEU L O   1 
ATOM   2756 C  CB  . LEU B 2 136 ? 28.666  51.559 107.642 1.00 11.92 ? 155 LEU L CB  1 
ATOM   2757 C  CG  . LEU B 2 136 ? 29.340  50.291 107.171 1.00 12.97 ? 155 LEU L CG  1 
ATOM   2758 C  CD1 . LEU B 2 136 ? 28.320  49.262 106.695 1.00 14.10 ? 155 LEU L CD1 1 
ATOM   2759 C  CD2 . LEU B 2 136 ? 30.335  50.615 106.089 1.00 15.27 ? 155 LEU L CD2 1 
ATOM   2760 N  N   . LEU B 2 137 ? 28.051  49.465 110.305 1.00 9.77  ? 156 LEU L N   1 
ATOM   2761 C  CA  . LEU B 2 137 ? 28.749  48.545 111.197 1.00 10.02 ? 156 LEU L CA  1 
ATOM   2762 C  C   . LEU B 2 137 ? 29.319  47.456 110.296 1.00 9.62  ? 156 LEU L C   1 
ATOM   2763 O  O   . LEU B 2 137 ? 28.535  46.708 109.686 1.00 11.06 ? 156 LEU L O   1 
ATOM   2764 C  CB  . LEU B 2 137 ? 27.764  47.932 112.202 1.00 10.73 ? 156 LEU L CB  1 
ATOM   2765 C  CG  . LEU B 2 137 ? 27.326  48.783 113.395 1.00 12.35 ? 156 LEU L CG  1 
ATOM   2766 C  CD1 . LEU B 2 137 ? 26.662  50.086 112.971 1.00 12.72 ? 156 LEU L CD1 1 
ATOM   2767 C  CD2 . LEU B 2 137 ? 26.376  47.985 114.259 1.00 12.98 ? 156 LEU L CD2 1 
ATOM   2768 N  N   . ASN B 2 138 ? 30.638  47.387 110.190 1.00 10.28 ? 157 ASN L N   1 
ATOM   2769 C  CA  . ASN B 2 138 ? 31.230  46.513 109.180 1.00 10.73 ? 157 ASN L CA  1 
ATOM   2770 C  C   . ASN B 2 138 ? 31.918  45.299 109.810 1.00 10.97 ? 157 ASN L C   1 
ATOM   2771 O  O   . ASN B 2 138 ? 32.703  45.453 110.742 1.00 11.65 ? 157 ASN L O   1 
ATOM   2772 C  CB  . ASN B 2 138 ? 32.202  47.298 108.289 1.00 13.30 ? 157 ASN L CB  1 
ATOM   2773 C  CG  . ASN B 2 138 ? 32.225  46.809 106.858 1.00 15.63 ? 157 ASN L CG  1 
ATOM   2774 O  OD1 . ASN B 2 138 ? 31.206  46.422 106.274 1.00 16.24 ? 157 ASN L OD1 1 
ATOM   2775 N  ND2 . ASN B 2 138 ? 33.431  46.788 106.333 1.00 21.79 ? 157 ASN L ND2 1 
ATOM   2776 N  N   . ASN B 2 139 ? 31.588  44.112 109.278 1.00 10.49 ? 158 ASN L N   1 
ATOM   2777 C  CA  . ASN B 2 139 ? 32.326  42.887 109.469 1.00 11.89 ? 158 ASN L CA  1 
ATOM   2778 C  C   . ASN B 2 139 ? 32.371  42.470 110.943 1.00 10.18 ? 158 ASN L C   1 
ATOM   2779 O  O   . ASN B 2 139 ? 33.442  42.402 111.551 1.00 13.50 ? 158 ASN L O   1 
ATOM   2780 C  CB  . ASN B 2 139 ? 33.691  43.005 108.817 1.00 13.07 ? 158 ASN L CB  1 
ATOM   2781 C  CG  . ASN B 2 139 ? 33.591  43.219 107.303 1.00 16.62 ? 158 ASN L CG  1 
ATOM   2782 O  OD1 . ASN B 2 139 ? 32.553  43.060 106.639 1.00 17.40 ? 158 ASN L OD1 1 
ATOM   2783 N  ND2 . ASN B 2 139 ? 34.672  43.692 106.740 1.00 22.70 ? 158 ASN L ND2 1 
ATOM   2784 N  N   . PHE B 2 140 ? 31.203  42.066 111.453 1.00 10.13 ? 159 PHE L N   1 
ATOM   2785 C  CA  . PHE B 2 140 ? 31.073  41.728 112.854 1.00 9.52  ? 159 PHE L CA  1 
ATOM   2786 C  C   . PHE B 2 140 ? 30.342  40.385 113.018 1.00 9.89  ? 159 PHE L C   1 
ATOM   2787 O  O   . PHE B 2 140 ? 29.673  39.869 112.121 1.00 10.25 ? 159 PHE L O   1 
ATOM   2788 C  CB  . PHE B 2 140 ? 30.372  42.855 113.614 1.00 10.72 ? 159 PHE L CB  1 
ATOM   2789 C  CG  . PHE B 2 140 ? 28.938  43.090 113.211 1.00 9.93  ? 159 PHE L CG  1 
ATOM   2790 C  CD1 . PHE B 2 140 ? 27.896  42.438 113.834 1.00 11.52 ? 159 PHE L CD1 1 
ATOM   2791 C  CD2 . PHE B 2 140 ? 28.619  44.008 112.228 1.00 10.10 ? 159 PHE L CD2 1 
ATOM   2792 C  CE1 . PHE B 2 140 ? 26.580  42.683 113.501 1.00 11.88 ? 159 PHE L CE1 1 
ATOM   2793 C  CE2 . PHE B 2 140 ? 27.304  44.238 111.876 1.00 10.59 ? 159 PHE L CE2 1 
ATOM   2794 C  CZ  . PHE B 2 140 ? 26.283  43.574 112.508 1.00 11.01 ? 159 PHE L CZ  1 
ATOM   2795 N  N   . TYR B 2 141 ? 30.429  39.817 114.232 1.00 10.41 ? 160 TYR L N   1 
ATOM   2796 C  CA  . TYR B 2 141 ? 29.722  38.584 114.569 1.00 10.48 ? 160 TYR L CA  1 
ATOM   2797 C  C   . TYR B 2 141 ? 29.625  38.508 116.085 1.00 10.49 ? 160 TYR L C   1 
ATOM   2798 O  O   . TYR B 2 141 ? 30.627  38.785 116.742 1.00 10.35 ? 160 TYR L O   1 
ATOM   2799 C  CB  . TYR B 2 141 ? 30.466  37.363 114.040 1.00 10.27 ? 160 TYR L CB  1 
ATOM   2800 C  CG  . TYR B 2 141 ? 29.682  36.097 114.261 1.00 9.92  ? 160 TYR L CG  1 
ATOM   2801 C  CD1 . TYR B 2 141 ? 29.765  35.408 115.465 1.00 11.95 ? 160 TYR L CD1 1 
ATOM   2802 C  CD2 . TYR B 2 141 ? 28.747  35.658 113.346 1.00 10.36 ? 160 TYR L CD2 1 
ATOM   2803 C  CE1 . TYR B 2 141 ? 28.959  34.330 115.734 1.00 11.73 ? 160 TYR L CE1 1 
ATOM   2804 C  CE2 . TYR B 2 141 ? 27.963  34.553 113.596 1.00 12.02 ? 160 TYR L CE2 1 
ATOM   2805 C  CZ  . TYR B 2 141 ? 28.058  33.885 114.799 1.00 12.28 ? 160 TYR L CZ  1 
ATOM   2806 O  OH  . TYR B 2 141 ? 27.243  32.830 115.094 1.00 14.42 ? 160 TYR L OH  1 
ATOM   2807 N  N   . PRO B 2 142 ? 28.501  38.103 116.709 1.00 10.66 ? 161 PRO L N   1 
ATOM   2808 C  CA  . PRO B 2 142 ? 27.241  37.681 116.086 1.00 10.95 ? 161 PRO L CA  1 
ATOM   2809 C  C   . PRO B 2 142 ? 26.403  38.823 115.526 1.00 11.19 ? 161 PRO L C   1 
ATOM   2810 O  O   . PRO B 2 142 ? 26.787  39.984 115.589 1.00 10.63 ? 161 PRO L O   1 
ATOM   2811 C  CB  . PRO B 2 142 ? 26.522  36.953 117.227 1.00 13.56 ? 161 PRO L CB  1 
ATOM   2812 C  CG  . PRO B 2 142 ? 26.972  37.685 118.411 1.00 15.76 ? 161 PRO L CG  1 
ATOM   2813 C  CD  . PRO B 2 142 ? 28.426  38.040 118.172 1.00 12.11 ? 161 PRO L CD  1 
ATOM   2814 N  N   . ARG B 2 143 ? 25.256  38.450 114.924 1.00 13.01 ? 162 ARG L N   1 
ATOM   2815 C  CA  . ARG B 2 143 ? 24.409  39.393 114.209 1.00 15.57 ? 162 ARG L CA  1 
ATOM   2816 C  C   . ARG B 2 143 ? 23.811  40.475 115.103 1.00 16.50 ? 162 ARG L C   1 
ATOM   2817 O  O   . ARG B 2 143 ? 23.564  41.591 114.665 1.00 16.38 ? 162 ARG L O   1 
ATOM   2818 C  CB  . ARG B 2 143 ? 23.279  38.605 113.523 1.00 19.39 ? 162 ARG L CB  1 
ATOM   2819 C  CG  . ARG B 2 143 ? 22.492  39.389 112.477 1.00 22.76 ? 162 ARG L CG  1 
ATOM   2820 C  CD  . ARG B 2 143 ? 21.555  38.384 111.785 1.00 27.34 ? 162 ARG L CD  1 
ATOM   2821 N  NE  . ARG B 2 143 ? 20.789  38.908 110.671 1.00 34.10 ? 162 ARG L NE  1 
ATOM   2822 C  CZ  . ARG B 2 143 ? 19.682  39.625 110.816 1.00 35.32 ? 162 ARG L CZ  1 
ATOM   2823 N  NH1 . ARG B 2 143 ? 19.251  39.927 112.026 1.00 40.14 ? 162 ARG L NH1 1 
ATOM   2824 N  NH2 . ARG B 2 143 ? 19.050  40.092 109.761 1.00 41.03 ? 162 ARG L NH2 1 
ATOM   2825 N  N   . GLU B 2 144 ? 23.511  40.113 116.340 1.00 16.76 ? 163 GLU L N   1 
ATOM   2826 C  CA  . GLU B 2 144 ? 22.838  40.999 117.269 1.00 19.64 ? 163 GLU L CA  1 
ATOM   2827 C  C   . GLU B 2 144 ? 23.695  42.228 117.589 1.00 15.42 ? 163 GLU L C   1 
ATOM   2828 O  O   . GLU B 2 144 ? 24.850  42.116 117.945 1.00 15.17 ? 163 GLU L O   1 
ATOM   2829 C  CB  . GLU B 2 144 ? 22.566  40.246 118.566 1.00 22.73 ? 163 GLU L CB  1 
ATOM   2830 C  CG  . GLU B 2 144 ? 21.576  39.102 118.435 1.00 31.40 ? 163 GLU L CG  1 
ATOM   2831 C  CD  . GLU B 2 144 ? 21.911  37.858 117.596 1.00 37.07 ? 163 GLU L CD  1 
ATOM   2832 O  OE1 . GLU B 2 144 ? 23.123  37.441 117.526 1.00 32.73 ? 163 GLU L OE1 1 
ATOM   2833 O  OE2 . GLU B 2 144 ? 20.918  37.252 117.030 1.00 47.66 ? 163 GLU L OE2 1 
ATOM   2834 N  N   . ALA B 2 145 ? 23.131  43.414 117.337 1.00 17.44 ? 164 ALA L N   1 
ATOM   2835 C  CA  . ALA B 2 145 ? 23.786  44.686 117.569 1.00 15.66 ? 164 ALA L CA  1 
ATOM   2836 C  C   . ALA B 2 145 ? 22.721  45.717 117.889 1.00 17.45 ? 164 ALA L C   1 
ATOM   2837 O  O   . ALA B 2 145 ? 21.600  45.657 117.360 1.00 21.68 ? 164 ALA L O   1 
ATOM   2838 C  CB  . ALA B 2 145 ? 24.608  45.089 116.364 1.00 18.30 ? 164 ALA L CB  1 
ATOM   2839 N  N   . LYS B 2 146 ? 23.058  46.637 118.781 1.00 15.38 ? 165 LYS L N   1 
ATOM   2840 C  CA  . LYS B 2 146 ? 22.182  47.757 119.072 1.00 17.35 ? 165 LYS L CA  1 
ATOM   2841 C  C   . LYS B 2 146 ? 22.805  49.023 118.484 1.00 15.71 ? 165 LYS L C   1 
ATOM   2842 O  O   . LYS B 2 146 ? 23.967  49.306 118.740 1.00 15.96 ? 165 LYS L O   1 
ATOM   2843 C  CB  . LYS B 2 146 ? 21.982  47.863 120.600 1.00 20.25 ? 165 LYS L CB  1 
ATOM   2844 C  CG  . LYS B 2 146 ? 21.113  49.022 121.076 1.00 25.61 ? 165 LYS L CG  1 
ATOM   2845 C  CD  . LYS B 2 146 ? 20.887  49.099 122.567 1.00 32.48 ? 165 LYS L CD  1 
ATOM   2846 C  CE  . LYS B 2 146 ? 19.723  49.999 122.913 1.00 41.92 ? 165 LYS L CE  1 
ATOM   2847 N  NZ  . LYS B 2 146 ? 19.538  50.113 124.383 1.00 50.48 ? 165 LYS L NZ  1 
ATOM   2848 N  N   . VAL B 2 147 ? 22.007  49.767 117.720 1.00 15.26 ? 166 VAL L N   1 
ATOM   2849 C  CA  . VAL B 2 147 ? 22.413  51.042 117.156 1.00 15.87 ? 166 VAL L CA  1 
ATOM   2850 C  C   . VAL B 2 147 ? 21.457  52.118 117.651 1.00 16.88 ? 166 VAL L C   1 
ATOM   2851 O  O   . VAL B 2 147 ? 20.249  51.986 117.469 1.00 21.44 ? 166 VAL L O   1 
ATOM   2852 C  CB  . VAL B 2 147 ? 22.417  51.013 115.632 1.00 20.08 ? 166 VAL L CB  1 
ATOM   2853 C  CG1 . VAL B 2 147 ? 22.840  52.372 115.107 1.00 22.75 ? 166 VAL L CG1 1 
ATOM   2854 C  CG2 . VAL B 2 147 ? 23.302  49.893 115.147 1.00 21.72 ? 166 VAL L CG2 1 
ATOM   2855 N  N   . GLN B 2 148 ? 22.020  53.159 118.258 1.00 15.90 ? 167 GLN L N   1 
ATOM   2856 C  CA  . GLN B 2 148 ? 21.253  54.302 118.733 1.00 18.02 ? 167 GLN L CA  1 
ATOM   2857 C  C   . GLN B 2 148 ? 21.761  55.591 118.103 1.00 17.69 ? 167 GLN L C   1 
ATOM   2858 O  O   . GLN B 2 148 ? 22.955  55.883 118.085 1.00 20.36 ? 167 GLN L O   1 
ATOM   2859 C  CB  . GLN B 2 148 ? 21.371  54.454 120.245 1.00 21.85 ? 167 GLN L CB  1 
ATOM   2860 C  CG  . GLN B 2 148 ? 20.912  53.218 121.008 1.00 26.48 ? 167 GLN L CG  1 
ATOM   2861 C  CD  . GLN B 2 148 ? 21.308  53.316 122.458 1.00 34.32 ? 167 GLN L CD  1 
ATOM   2862 O  OE1 . GLN B 2 148 ? 22.430  52.984 122.876 1.00 36.93 ? 167 GLN L OE1 1 
ATOM   2863 N  NE2 . GLN B 2 148 ? 20.362  53.796 123.228 1.00 38.48 ? 167 GLN L NE2 1 
ATOM   2864 N  N   . TRP B 2 149 ? 20.800  56.370 117.612 1.00 16.81 ? 168 TRP L N   1 
ATOM   2865 C  CA  . TRP B 2 149 ? 21.101  57.661 117.041 1.00 16.87 ? 168 TRP L CA  1 
ATOM   2866 C  C   . TRP B 2 149 ? 20.867  58.749 118.073 1.00 17.50 ? 168 TRP L C   1 
ATOM   2867 O  O   . TRP B 2 149 ? 19.847  58.737 118.762 1.00 19.73 ? 168 TRP L O   1 
ATOM   2868 C  CB  . TRP B 2 149 ? 20.233  57.924 115.816 1.00 16.90 ? 168 TRP L CB  1 
ATOM   2869 C  CG  . TRP B 2 149 ? 20.651  57.167 114.595 1.00 16.71 ? 168 TRP L CG  1 
ATOM   2870 C  CD1 . TRP B 2 149 ? 20.109  56.019 114.103 1.00 16.35 ? 168 TRP L CD1 1 
ATOM   2871 C  CD2 . TRP B 2 149 ? 21.691  57.554 113.691 1.00 15.88 ? 168 TRP L CD2 1 
ATOM   2872 N  NE1 . TRP B 2 149 ? 20.737  55.667 112.945 1.00 15.74 ? 168 TRP L NE1 1 
ATOM   2873 C  CE2 . TRP B 2 149 ? 21.724  56.578 112.674 1.00 16.35 ? 168 TRP L CE2 1 
ATOM   2874 C  CE3 . TRP B 2 149 ? 22.587  58.620 113.639 1.00 16.60 ? 168 TRP L CE3 1 
ATOM   2875 C  CZ2 . TRP B 2 149 ? 22.596  56.660 111.599 1.00 16.86 ? 168 TRP L CZ2 1 
ATOM   2876 C  CZ3 . TRP B 2 149 ? 23.466  58.681 112.575 1.00 16.94 ? 168 TRP L CZ3 1 
ATOM   2877 C  CH2 . TRP B 2 149 ? 23.486  57.700 111.585 1.00 18.01 ? 168 TRP L CH2 1 
ATOM   2878 N  N   . LYS B 2 150 ? 21.803  59.704 118.111 1.00 17.72 ? 169 LYS L N   1 
ATOM   2879 C  CA  . LYS B 2 150 ? 21.631  60.910 118.911 1.00 20.56 ? 169 LYS L CA  1 
ATOM   2880 C  C   . LYS B 2 150 ? 21.898  62.131 118.037 1.00 21.16 ? 169 LYS L C   1 
ATOM   2881 O  O   . LYS B 2 150 ? 22.826  62.162 117.228 1.00 22.45 ? 169 LYS L O   1 
ATOM   2882 C  CB  . LYS B 2 150 ? 22.570  60.869 120.113 1.00 25.48 ? 169 LYS L CB  1 
ATOM   2883 C  CG  . LYS B 2 150 ? 22.332  59.691 121.062 1.00 27.92 ? 169 LYS L CG  1 
ATOM   2884 C  CD  . LYS B 2 150 ? 23.430  59.528 122.088 1.00 33.04 ? 169 LYS L CD  1 
ATOM   2885 C  CE  . LYS B 2 150 ? 23.222  58.296 122.951 1.00 39.69 ? 169 LYS L CE  1 
ATOM   2886 N  NZ  . LYS B 2 150 ? 24.262  58.194 123.997 1.00 41.66 ? 169 LYS L NZ  1 
ATOM   2887 N  N   . VAL B 2 151 ? 21.089  63.171 118.242 1.00 22.00 ? 170 VAL L N   1 
ATOM   2888 C  CA  . VAL B 2 151 ? 21.224  64.427 117.517 1.00 23.18 ? 170 VAL L CA  1 
ATOM   2889 C  C   . VAL B 2 151 ? 21.327  65.502 118.599 1.00 25.45 ? 170 VAL L C   1 
ATOM   2890 O  O   . VAL B 2 151 ? 20.387  65.661 119.373 1.00 28.08 ? 170 VAL L O   1 
ATOM   2891 C  CB  . VAL B 2 151 ? 20.019  64.664 116.583 1.00 22.91 ? 170 VAL L CB  1 
ATOM   2892 C  CG1 . VAL B 2 151 ? 20.034  66.060 115.956 1.00 25.46 ? 170 VAL L CG1 1 
ATOM   2893 C  CG2 . VAL B 2 151 ? 19.918  63.587 115.526 1.00 24.31 ? 170 VAL L CG2 1 
ATOM   2894 N  N   . ASP B 2 152 ? 22.460  66.216 118.658 1.00 25.87 ? 171 ASP L N   1 
ATOM   2895 C  CA  . ASP B 2 152 ? 22.760  67.140 119.747 1.00 27.37 ? 171 ASP L CA  1 
ATOM   2896 C  C   . ASP B 2 152 ? 22.479  66.470 121.090 1.00 29.42 ? 171 ASP L C   1 
ATOM   2897 O  O   . ASP B 2 152 ? 21.871  67.058 121.995 1.00 36.48 ? 171 ASP L O   1 
ATOM   2898 C  CB  . ASP B 2 152 ? 22.010  68.466 119.623 1.00 29.29 ? 171 ASP L CB  1 
ATOM   2899 C  CG  . ASP B 2 152 ? 22.527  69.387 118.529 1.00 29.42 ? 171 ASP L CG  1 
ATOM   2900 O  OD1 . ASP B 2 152 ? 23.686  69.179 118.031 1.00 33.10 ? 171 ASP L OD1 1 
ATOM   2901 O  OD2 . ASP B 2 152 ? 21.769  70.321 118.179 1.00 35.53 ? 171 ASP L OD2 1 
ATOM   2902 N  N   . ASN B 2 153 ? 22.922  65.221 121.181 1.00 27.77 ? 172 ASN L N   1 
ATOM   2903 C  CA  . ASN B 2 153 ? 22.846  64.402 122.379 1.00 30.76 ? 172 ASN L CA  1 
ATOM   2904 C  C   . ASN B 2 153 ? 21.414  63.994 122.733 1.00 30.00 ? 172 ASN L C   1 
ATOM   2905 O  O   . ASN B 2 153 ? 21.209  63.471 123.817 1.00 36.00 ? 172 ASN L O   1 
ATOM   2906 C  CB  . ASN B 2 153 ? 23.526  65.040 123.598 1.00 34.87 ? 172 ASN L CB  1 
ATOM   2907 C  CG  . ASN B 2 153 ? 24.113  63.997 124.526 1.00 38.01 ? 172 ASN L CG  1 
ATOM   2908 O  OD1 . ASN B 2 153 ? 24.429  62.885 124.100 1.00 43.89 ? 172 ASN L OD1 1 
ATOM   2909 N  ND2 . ASN B 2 153 ? 24.295  64.338 125.794 1.00 43.03 ? 172 ASN L ND2 1 
ATOM   2910 N  N   . ALA B 2 154 ? 20.437  64.158 121.845 1.00 29.12 ? 173 ALA L N   1 
ATOM   2911 C  CA  . ALA B 2 154 ? 19.077  63.710 122.095 1.00 26.18 ? 173 ALA L CA  1 
ATOM   2912 C  C   . ALA B 2 154 ? 18.808  62.379 121.386 1.00 25.87 ? 173 ALA L C   1 
ATOM   2913 O  O   . ALA B 2 154 ? 18.984  62.261 120.172 1.00 25.00 ? 173 ALA L O   1 
ATOM   2914 C  CB  . ALA B 2 154 ? 18.123  64.752 121.573 1.00 29.34 ? 173 ALA L CB  1 
ATOM   2915 N  N   . LEU B 2 155 ? 18.379  61.368 122.140 1.00 25.13 ? 174 LEU L N   1 
ATOM   2916 C  CA  . LEU B 2 155 ? 18.154  60.049 121.568 1.00 26.70 ? 174 LEU L CA  1 
ATOM   2917 C  C   . LEU B 2 155 ? 16.960  60.096 120.618 1.00 27.80 ? 174 LEU L C   1 
ATOM   2918 O  O   . LEU B 2 155 ? 15.893  60.604 120.953 1.00 30.68 ? 174 LEU L O   1 
ATOM   2919 C  CB  . LEU B 2 155 ? 17.906  59.046 122.692 1.00 27.50 ? 174 LEU L CB  1 
ATOM   2920 C  CG  . LEU B 2 155 ? 17.606  57.609 122.264 1.00 30.61 ? 174 LEU L CG  1 
ATOM   2921 C  CD1 . LEU B 2 155 ? 18.816  56.954 121.631 1.00 30.61 ? 174 LEU L CD1 1 
ATOM   2922 C  CD2 . LEU B 2 155 ? 17.165  56.805 123.479 1.00 32.04 ? 174 LEU L CD2 1 
ATOM   2923 N  N   . GLN B 2 156 ? 17.163  59.535 119.432 1.00 24.51 ? 175 GLN L N   1 
ATOM   2924 C  CA  . GLN B 2 156 ? 16.168  59.487 118.383 1.00 25.04 ? 175 GLN L CA  1 
ATOM   2925 C  C   . GLN B 2 156 ? 15.383  58.189 118.505 1.00 25.35 ? 175 GLN L C   1 
ATOM   2926 O  O   . GLN B 2 156 ? 15.897  57.168 118.944 1.00 28.92 ? 175 GLN L O   1 
ATOM   2927 C  CB  . GLN B 2 156 ? 16.854  59.576 117.020 1.00 22.76 ? 175 GLN L CB  1 
ATOM   2928 C  CG  . GLN B 2 156 ? 17.725  60.811 116.846 1.00 22.53 ? 175 GLN L CG  1 
ATOM   2929 C  CD  . GLN B 2 156 ? 16.957  62.100 116.958 1.00 24.89 ? 175 GLN L CD  1 
ATOM   2930 O  OE1 . GLN B 2 156 ? 16.135  62.453 116.086 1.00 28.43 ? 175 GLN L OE1 1 
ATOM   2931 N  NE2 . GLN B 2 156 ? 17.252  62.830 118.016 1.00 22.38 ? 175 GLN L NE2 1 
ATOM   2932 N  N   . SER B 2 157 ? 14.112  58.258 118.123 1.00 28.04 ? 176 SER L N   1 
ATOM   2933 C  CA  . SER B 2 157 ? 13.249  57.102 118.095 1.00 28.48 ? 176 SER L CA  1 
ATOM   2934 C  C   . SER B 2 157 ? 12.299  57.230 116.907 1.00 28.36 ? 176 SER L C   1 
ATOM   2935 O  O   . SER B 2 157 ? 11.792  58.317 116.657 1.00 31.25 ? 176 SER L O   1 
ATOM   2936 C  CB  . SER B 2 157 ? 12.497  57.029 119.395 1.00 33.09 ? 176 SER L CB  1 
ATOM   2937 O  OG  . SER B 2 157 ? 11.769  55.831 119.477 1.00 41.84 ? 176 SER L OG  1 
ATOM   2938 N  N   . GLY B 2 158 ? 12.104  56.132 116.165 1.00 28.92 ? 177 GLY L N   1 
ATOM   2939 C  CA  . GLY B 2 158 ? 11.055  56.042 115.167 1.00 27.18 ? 177 GLY L CA  1 
ATOM   2940 C  C   . GLY B 2 158 ? 11.462  56.542 113.774 1.00 25.04 ? 177 GLY L C   1 
ATOM   2941 O  O   . GLY B 2 158 ? 10.667  56.420 112.842 1.00 29.91 ? 177 GLY L O   1 
ATOM   2942 N  N   . ASN B 2 159 ? 12.679  57.091 113.637 1.00 23.49 ? 178 ASN L N   1 
ATOM   2943 C  CA  . ASN B 2 159 ? 13.133  57.726 112.402 1.00 22.02 ? 178 ASN L CA  1 
ATOM   2944 C  C   . ASN B 2 159 ? 14.360  57.046 111.803 1.00 18.27 ? 178 ASN L C   1 
ATOM   2945 O  O   . ASN B 2 159 ? 15.094  57.672 111.019 1.00 20.02 ? 178 ASN L O   1 
ATOM   2946 C  CB  . ASN B 2 159 ? 13.373  59.230 112.550 1.00 22.24 ? 178 ASN L CB  1 
ATOM   2947 C  CG  . ASN B 2 159 ? 14.242  59.632 113.724 1.00 23.58 ? 178 ASN L CG  1 
ATOM   2948 O  OD1 . ASN B 2 159 ? 14.742  58.769 114.462 1.00 29.41 ? 178 ASN L OD1 1 
ATOM   2949 N  ND2 . ASN B 2 159 ? 14.439  60.923 113.912 1.00 21.39 ? 178 ASN L ND2 1 
ATOM   2950 N  N   . SER B 2 160 ? 14.570  55.772 112.139 1.00 19.14 ? 179 SER L N   1 
ATOM   2951 C  CA  . SER B 2 160 ? 15.679  55.010 111.563 1.00 18.73 ? 179 SER L CA  1 
ATOM   2952 C  C   . SER B 2 160 ? 15.222  53.635 111.081 1.00 18.01 ? 179 SER L C   1 
ATOM   2953 O  O   . SER B 2 160 ? 14.258  53.058 111.566 1.00 21.00 ? 179 SER L O   1 
ATOM   2954 C  CB  . SER B 2 160 ? 16.841  54.874 112.514 1.00 18.42 ? 179 SER L CB  1 
ATOM   2955 O  OG  . SER B 2 160 ? 16.449  54.250 113.727 1.00 21.01 ? 179 SER L OG  1 
ATOM   2956 N  N   . GLN B 2 161 ? 15.961  53.108 110.108 1.00 17.69 ? 180 GLN L N   1 
ATOM   2957 C  CA  . GLN B 2 161 ? 15.718  51.773 109.588 1.00 17.24 ? 180 GLN L CA  1 
ATOM   2958 C  C   . GLN B 2 161 ? 17.076  51.101 109.417 1.00 17.13 ? 180 GLN L C   1 
ATOM   2959 O  O   . GLN B 2 161 ? 18.069  51.775 109.081 1.00 16.79 ? 180 GLN L O   1 
ATOM   2960 C  CB  . GLN B 2 161 ? 14.962  51.795 108.256 1.00 19.49 ? 180 GLN L CB  1 
ATOM   2961 C  CG  . GLN B 2 161 ? 13.542  52.338 108.378 1.00 23.30 ? 180 GLN L CG  1 
ATOM   2962 C  CD  . GLN B 2 161 ? 12.775  52.236 107.076 1.00 24.12 ? 180 GLN L CD  1 
ATOM   2963 O  OE1 . GLN B 2 161 ? 12.968  52.992 106.123 1.00 26.97 ? 180 GLN L OE1 1 
ATOM   2964 N  NE2 . GLN B 2 161 ? 11.856  51.285 107.019 1.00 24.80 ? 180 GLN L NE2 1 
ATOM   2965 N  N   . GLU B 2 162 ? 17.092  49.785 109.615 1.00 18.90 ? 181 GLU L N   1 
ATOM   2966 C  CA  . GLU B 2 162 ? 18.310  48.988 109.546 1.00 18.75 ? 181 GLU L CA  1 
ATOM   2967 C  C   . GLU B 2 162 ? 18.123  47.872 108.523 1.00 16.31 ? 181 GLU L C   1 
ATOM   2968 O  O   . GLU B 2 162 ? 17.025  47.361 108.313 1.00 18.08 ? 181 GLU L O   1 
ATOM   2969 C  CB  . GLU B 2 162 ? 18.627  48.244 110.858 1.00 22.43 ? 181 GLU L CB  1 
ATOM   2970 C  CG  . GLU B 2 162 ? 19.033  49.112 112.015 1.00 28.28 ? 181 GLU L CG  1 
ATOM   2971 C  CD  . GLU B 2 162 ? 19.296  48.293 113.267 1.00 27.69 ? 181 GLU L CD  1 
ATOM   2972 O  OE1 . GLU B 2 162 ? 19.072  47.027 113.248 1.00 29.59 ? 181 GLU L OE1 1 
ATOM   2973 O  OE2 . GLU B 2 162 ? 19.672  48.905 114.276 1.00 35.25 ? 181 GLU L OE2 1 
ATOM   2974 N  N   . SER B 2 163 ? 19.234  47.434 107.943 1.00 14.23 ? 182 SER L N   1 
ATOM   2975 C  CA  . SER B 2 163 ? 19.246  46.159 107.259 1.00 16.64 ? 182 SER L CA  1 
ATOM   2976 C  C   . SER B 2 163 ? 20.647  45.560 107.369 1.00 14.31 ? 182 SER L C   1 
ATOM   2977 O  O   . SER B 2 163 ? 21.624  46.252 107.666 1.00 12.85 ? 182 SER L O   1 
ATOM   2978 C  CB  . SER B 2 163 ? 18.661  46.182 105.883 1.00 23.13 ? 182 SER L CB  1 
ATOM   2979 O  OG  . SER B 2 163 ? 19.586  46.546 104.963 1.00 22.93 ? 182 SER L OG  1 
ATOM   2980 N  N   . VAL B 2 164 ? 20.706  44.250 107.158 1.00 14.29 ? 183 VAL L N   1 
ATOM   2981 C  CA  . VAL B 2 164 ? 21.892  43.470 107.421 1.00 14.35 ? 183 VAL L CA  1 
ATOM   2982 C  C   . VAL B 2 164 ? 22.190  42.637 106.170 1.00 13.58 ? 183 VAL L C   1 
ATOM   2983 O  O   . VAL B 2 164 ? 21.302  42.045 105.561 1.00 15.52 ? 183 VAL L O   1 
ATOM   2984 C  CB  . VAL B 2 164 ? 21.684  42.585 108.672 1.00 16.46 ? 183 VAL L CB  1 
ATOM   2985 C  CG1 . VAL B 2 164 ? 22.923  41.821 109.057 1.00 16.93 ? 183 VAL L CG1 1 
ATOM   2986 C  CG2 . VAL B 2 164 ? 21.252  43.440 109.844 1.00 18.53 ? 183 VAL L CG2 1 
ATOM   2987 N  N   . THR B 2 165 ? 23.477  42.543 105.840 1.00 13.06 ? 184 THR L N   1 
ATOM   2988 C  CA  . THR B 2 165 ? 23.922  41.674 104.766 1.00 14.77 ? 184 THR L CA  1 
ATOM   2989 C  C   . THR B 2 165 ? 23.805  40.209 105.186 1.00 13.88 ? 184 THR L C   1 
ATOM   2990 O  O   . THR B 2 165 ? 23.777  39.859 106.367 1.00 16.97 ? 184 THR L O   1 
ATOM   2991 C  CB  . THR B 2 165 ? 25.342  41.996 104.334 1.00 15.22 ? 184 THR L CB  1 
ATOM   2992 O  OG1 . THR B 2 165 ? 26.186  41.836 105.480 1.00 18.63 ? 184 THR L OG1 1 
ATOM   2993 C  CG2 . THR B 2 165 ? 25.434  43.379 103.734 1.00 20.62 ? 184 THR L CG2 1 
ATOM   2994 N  N   . GLU B 2 166 ? 23.831  39.322 104.183 1.00 14.75 ? 185 GLU L N   1 
ATOM   2995 C  CA  . GLU B 2 166 ? 24.073  37.910 104.425 1.00 15.28 ? 185 GLU L CA  1 
ATOM   2996 C  C   . GLU B 2 166 ? 25.464  37.718 104.998 1.00 14.03 ? 185 GLU L C   1 
ATOM   2997 O  O   . GLU B 2 166 ? 26.341  38.563 104.834 1.00 15.84 ? 185 GLU L O   1 
ATOM   2998 C  CB  . GLU B 2 166 ? 23.933  37.089 103.127 1.00 17.83 ? 185 GLU L CB  1 
ATOM   2999 C  CG  . GLU B 2 166 ? 25.032  37.311 102.065 1.00 20.11 ? 185 GLU L CG  1 
ATOM   3000 C  CD  . GLU B 2 166 ? 24.885  36.551 100.731 1.00 25.08 ? 185 GLU L CD  1 
ATOM   3001 O  OE1 . GLU B 2 166 ? 24.038  35.734 100.615 1.00 29.46 ? 185 GLU L OE1 1 
ATOM   3002 O  OE2 . GLU B 2 166 ? 25.607  36.871 99.756  1.00 35.14 ? 185 GLU L OE2 1 
ATOM   3003 N  N   . GLN B 2 167 ? 25.675  36.564 105.628 1.00 13.08 ? 186 GLN L N   1 
ATOM   3004 C  CA  . GLN B 2 167 ? 26.988  36.206 106.089 1.00 12.64 ? 186 GLN L CA  1 
ATOM   3005 C  C   . GLN B 2 167 ? 27.995  36.191 104.938 1.00 12.35 ? 186 GLN L C   1 
ATOM   3006 O  O   . GLN B 2 167 ? 27.684  35.730 103.815 1.00 14.29 ? 186 GLN L O   1 
ATOM   3007 C  CB  . GLN B 2 167 ? 26.967  34.837 106.768 1.00 11.84 ? 186 GLN L CB  1 
ATOM   3008 C  CG  . GLN B 2 167 ? 26.280  34.829 108.119 1.00 11.68 ? 186 GLN L CG  1 
ATOM   3009 C  CD  . GLN B 2 167 ? 26.527  33.549 108.875 1.00 11.77 ? 186 GLN L CD  1 
ATOM   3010 O  OE1 . GLN B 2 167 ? 25.844  32.547 108.685 1.00 13.90 ? 186 GLN L OE1 1 
ATOM   3011 N  NE2 . GLN B 2 167 ? 27.546  33.571 109.734 1.00 10.91 ? 186 GLN L NE2 1 
ATOM   3012 N  N   . ASP B 2 168 ? 29.210  36.644 105.233 1.00 12.00 ? 187 ASP L N   1 
ATOM   3013 C  CA  . ASP B 2 168 ? 30.340  36.529 104.317 1.00 12.81 ? 187 ASP L CA  1 
ATOM   3014 C  C   . ASP B 2 168 ? 30.659  35.056 104.065 1.00 12.99 ? 187 ASP L C   1 
ATOM   3015 O  O   . ASP B 2 168 ? 30.731  34.268 105.004 1.00 12.04 ? 187 ASP L O   1 
ATOM   3016 C  CB  . ASP B 2 168 ? 31.544  37.279 104.894 1.00 14.71 ? 187 ASP L CB  1 
ATOM   3017 C  CG  . ASP B 2 168 ? 32.723  37.338 103.948 1.00 16.63 ? 187 ASP L CG  1 
ATOM   3018 O  OD1 . ASP B 2 168 ? 33.485  36.374 103.888 1.00 17.04 ? 187 ASP L OD1 1 
ATOM   3019 O  OD2 . ASP B 2 168 ? 32.835  38.345 103.262 1.00 23.47 ? 187 ASP L OD2 1 
ATOM   3020 N  N   . SER B 2 169 ? 30.888  34.685 102.804 1.00 15.30 ? 188 SER L N   1 
ATOM   3021 C  CA  . SER B 2 169 ? 31.046  33.286 102.426 1.00 15.71 ? 188 SER L CA  1 
ATOM   3022 C  C   . SER B 2 169 ? 32.362  32.694 102.919 1.00 15.49 ? 188 SER L C   1 
ATOM   3023 O  O   . SER B 2 169 ? 32.499  31.470 102.942 1.00 17.79 ? 188 SER L O   1 
ATOM   3024 C  CB  A SER B 2 169 ? 30.937  33.114 100.937 0.50 16.18 ? 188 SER L CB  1 
ATOM   3025 C  CB  B SER B 2 169 ? 30.926  33.127 100.926 0.50 16.72 ? 188 SER L CB  1 
ATOM   3026 O  OG  A SER B 2 169 ? 31.964  33.838 100.295 0.50 17.86 ? 188 SER L OG  1 
ATOM   3027 O  OG  B SER B 2 169 ? 29.695  33.668 100.460 0.50 20.84 ? 188 SER L OG  1 
ATOM   3028 N  N   . LYS B 2 170 ? 33.344  33.554 103.229 1.00 14.89 ? 189 LYS L N   1 
ATOM   3029 C  CA  . LYS B 2 170 ? 34.658  33.110 103.669 1.00 16.04 ? 189 LYS L CA  1 
ATOM   3030 C  C   . LYS B 2 170 ? 34.820  33.245 105.173 1.00 15.17 ? 189 LYS L C   1 
ATOM   3031 O  O   . LYS B 2 170 ? 35.406  32.358 105.769 1.00 18.57 ? 189 LYS L O   1 
ATOM   3032 C  CB  . LYS B 2 170 ? 35.762  33.868 102.925 1.00 19.68 ? 189 LYS L CB  1 
ATOM   3033 C  CG  . LYS B 2 170 ? 35.818  33.566 101.426 1.00 25.78 ? 189 LYS L CG  1 
ATOM   3034 C  CD  . LYS B 2 170 ? 37.020  34.166 100.750 1.00 34.18 ? 189 LYS L CD  1 
ATOM   3035 C  CE  . LYS B 2 170 ? 37.135  33.756 99.292  1.00 41.08 ? 189 LYS L CE  1 
ATOM   3036 N  NZ  . LYS B 2 170 ? 38.353  34.308 98.641  1.00 50.21 ? 189 LYS L NZ  1 
ATOM   3037 N  N   . ASP B 2 171 ? 34.434  34.389 105.759 1.00 15.51 ? 190 ASP L N   1 
ATOM   3038 C  CA  . ASP B 2 171 ? 34.708  34.626 107.166 1.00 15.30 ? 190 ASP L CA  1 
ATOM   3039 C  C   . ASP B 2 171 ? 33.472  34.762 108.050 1.00 12.52 ? 190 ASP L C   1 
ATOM   3040 O  O   . ASP B 2 171 ? 33.638  35.010 109.252 1.00 13.35 ? 190 ASP L O   1 
ATOM   3041 C  CB  . ASP B 2 171 ? 35.638  35.815 107.309 1.00 17.91 ? 190 ASP L CB  1 
ATOM   3042 C  CG  . ASP B 2 171 ? 35.047  37.198 107.177 1.00 16.79 ? 190 ASP L CG  1 
ATOM   3043 O  OD1 . ASP B 2 171 ? 33.791  37.322 107.098 1.00 16.33 ? 190 ASP L OD1 1 
ATOM   3044 O  OD2 . ASP B 2 171 ? 35.870  38.183 107.222 1.00 23.55 ? 190 ASP L OD2 1 
ATOM   3045 N  N   . SER B 2 172 ? 32.265  34.585 107.513 1.00 10.77 ? 191 SER L N   1 
ATOM   3046 C  CA  . SER B 2 172 ? 31.044  34.390 108.306 1.00 10.81 ? 191 SER L CA  1 
ATOM   3047 C  C   . SER B 2 172 ? 30.603  35.645 109.060 1.00 10.07 ? 191 SER L C   1 
ATOM   3048 O  O   . SER B 2 172 ? 29.678  35.546 109.881 1.00 11.61 ? 191 SER L O   1 
ATOM   3049 C  CB  . SER B 2 172 ? 31.163  33.183 109.220 1.00 11.67 ? 191 SER L CB  1 
ATOM   3050 O  OG  . SER B 2 172 ? 31.557  32.041 108.496 1.00 13.05 ? 191 SER L OG  1 
ATOM   3051 N  N   . THR B 2 173 ? 31.166  36.815 108.754 1.00 10.06 ? 192 THR L N   1 
ATOM   3052 C  CA  . THR B 2 173 ? 30.733  38.045 109.404 1.00 9.08  ? 192 THR L CA  1 
ATOM   3053 C  C   . THR B 2 173 ? 29.527  38.672 108.681 1.00 9.52  ? 192 THR L C   1 
ATOM   3054 O  O   . THR B 2 173 ? 29.168  38.322 107.537 1.00 11.40 ? 192 THR L O   1 
ATOM   3055 C  CB  . THR B 2 173 ? 31.867  39.059 109.503 1.00 10.61 ? 192 THR L CB  1 
ATOM   3056 O  OG1 . THR B 2 173 ? 32.302  39.407 108.186 1.00 13.53 ? 192 THR L OG1 1 
ATOM   3057 C  CG2 . THR B 2 173 ? 33.031  38.601 110.341 1.00 11.61 ? 192 THR L CG2 1 
ATOM   3058 N  N   . TYR B 2 174 ? 28.884  39.596 109.382 1.00 9.95  ? 193 TYR L N   1 
ATOM   3059 C  CA  . TYR B 2 174 ? 27.787  40.418 108.915 1.00 10.00 ? 193 TYR L CA  1 
ATOM   3060 C  C   . TYR B 2 174 ? 28.248  41.874 108.814 1.00 9.95  ? 193 TYR L C   1 
ATOM   3061 O  O   . TYR B 2 174 ? 29.204  42.301 109.480 1.00 10.75 ? 193 TYR L O   1 
ATOM   3062 C  CB  . TYR B 2 174 ? 26.613  40.393 109.902 1.00 11.83 ? 193 TYR L CB  1 
ATOM   3063 C  CG  . TYR B 2 174 ? 26.020  39.034 110.180 1.00 12.49 ? 193 TYR L CG  1 
ATOM   3064 C  CD1 . TYR B 2 174 ? 24.991  38.531 109.404 1.00 12.97 ? 193 TYR L CD1 1 
ATOM   3065 C  CD2 . TYR B 2 174 ? 26.454  38.228 111.216 1.00 12.77 ? 193 TYR L CD2 1 
ATOM   3066 C  CE1 . TYR B 2 174 ? 24.380  37.322 109.651 1.00 14.25 ? 193 TYR L CE1 1 
ATOM   3067 C  CE2 . TYR B 2 174 ? 25.860  36.999 111.476 1.00 14.67 ? 193 TYR L CE2 1 
ATOM   3068 C  CZ  . TYR B 2 174 ? 24.834  36.529 110.677 1.00 15.48 ? 193 TYR L CZ  1 
ATOM   3069 O  OH  . TYR B 2 174 ? 24.222  35.324 110.880 1.00 18.11 ? 193 TYR L OH  1 
ATOM   3070 N  N   . SER B 2 175 ? 27.497  42.655 108.030 1.00 10.21 ? 194 SER L N   1 
ATOM   3071 C  CA  . SER B 2 175 ? 27.549  44.095 108.102 1.00 10.43 ? 194 SER L CA  1 
ATOM   3072 C  C   . SER B 2 175 ? 26.124  44.621 108.232 1.00 10.39 ? 194 SER L C   1 
ATOM   3073 O  O   . SER B 2 175 ? 25.168  43.944 107.849 1.00 11.39 ? 194 SER L O   1 
ATOM   3074 C  CB  . SER B 2 175 ? 28.291  44.698 106.955 1.00 11.37 ? 194 SER L CB  1 
ATOM   3075 O  OG  . SER B 2 175 ? 29.657  44.280 106.954 1.00 12.11 ? 194 SER L OG  1 
ATOM   3076 N  N   . LEU B 2 176 ? 25.993  45.843 108.754 1.00 10.36 ? 195 LEU L N   1 
ATOM   3077 C  CA  . LEU B 2 176 ? 24.683  46.411 109.038 1.00 10.82 ? 195 LEU L CA  1 
ATOM   3078 C  C   . LEU B 2 176 ? 24.727  47.889 108.698 1.00 11.29 ? 195 LEU L C   1 
ATOM   3079 O  O   . LEU B 2 176 ? 25.715  48.566 108.986 1.00 12.14 ? 195 LEU L O   1 
ATOM   3080 C  CB  . LEU B 2 176 ? 24.346  46.175 110.516 1.00 12.47 ? 195 LEU L CB  1 
ATOM   3081 C  CG  . LEU B 2 176 ? 23.031  46.723 111.067 1.00 14.00 ? 195 LEU L CG  1 
ATOM   3082 C  CD1 . LEU B 2 176 ? 22.580  45.944 112.305 1.00 15.71 ? 195 LEU L CD1 1 
ATOM   3083 C  CD2 . LEU B 2 176 ? 23.134  48.187 111.449 1.00 14.67 ? 195 LEU L CD2 1 
ATOM   3084 N  N   . SER B 2 177 ? 23.639  48.360 108.058 1.00 12.04 ? 196 SER L N   1 
ATOM   3085 C  CA  . SER B 2 177 ? 23.442  49.771 107.815 1.00 12.49 ? 196 SER L CA  1 
ATOM   3086 C  C   . SER B 2 177 ? 22.280  50.256 108.663 1.00 15.14 ? 196 SER L C   1 
ATOM   3087 O  O   . SER B 2 177 ? 21.267  49.579 108.757 1.00 19.48 ? 196 SER L O   1 
ATOM   3088 C  CB  A SER B 2 177 ? 23.151  50.054 106.354 0.50 13.17 ? 196 SER L CB  1 
ATOM   3089 C  CB  B SER B 2 177 ? 23.173  49.889 106.304 0.50 15.10 ? 196 SER L CB  1 
ATOM   3090 O  OG  A SER B 2 177 ? 21.839  49.606 106.056 0.50 12.37 ? 196 SER L OG  1 
ATOM   3091 O  OG  B SER B 2 177 ? 23.284  51.192 105.795 0.50 17.91 ? 196 SER L OG  1 
ATOM   3092 N  N   . SER B 2 178 ? 22.443  51.429 109.281 1.00 14.68 ? 197 SER L N   1 
ATOM   3093 C  CA  . SER B 2 178 ? 21.340  52.122 109.911 1.00 16.26 ? 197 SER L CA  1 
ATOM   3094 C  C   . SER B 2 178 ? 21.223  53.505 109.276 1.00 16.62 ? 197 SER L C   1 
ATOM   3095 O  O   . SER B 2 178 ? 22.226  54.211 109.167 1.00 18.23 ? 197 SER L O   1 
ATOM   3096 C  CB  . SER B 2 178 ? 21.517  52.204 111.407 1.00 18.41 ? 197 SER L CB  1 
ATOM   3097 O  OG  . SER B 2 178 ? 20.461  52.930 111.979 1.00 19.76 ? 197 SER L OG  1 
ATOM   3098 N  N   . THR B 2 179 ? 20.016  53.837 108.808 1.00 14.69 ? 198 THR L N   1 
ATOM   3099 C  CA  . THR B 2 179 ? 19.772  55.106 108.139 1.00 15.06 ? 198 THR L CA  1 
ATOM   3100 C  C   . THR B 2 179 ? 18.796  55.914 108.984 1.00 14.80 ? 198 THR L C   1 
ATOM   3101 O  O   . THR B 2 179 ? 17.675  55.460 109.219 1.00 15.84 ? 198 THR L O   1 
ATOM   3102 C  CB  . THR B 2 179 ? 19.190  54.896 106.731 1.00 16.33 ? 198 THR L CB  1 
ATOM   3103 O  OG1 . THR B 2 179 ? 20.140  54.047 106.093 1.00 18.78 ? 198 THR L OG1 1 
ATOM   3104 C  CG2 . THR B 2 179 ? 19.009  56.209 105.999 1.00 18.38 ? 198 THR L CG2 1 
ATOM   3105 N  N   . LEU B 2 180 ? 19.230  57.126 109.377 1.00 14.76 ? 199 LEU L N   1 
ATOM   3106 C  CA  . LEU B 2 180 ? 18.396  58.112 110.060 1.00 15.47 ? 199 LEU L CA  1 
ATOM   3107 C  C   . LEU B 2 180 ? 17.862  59.081 109.016 1.00 15.70 ? 199 LEU L C   1 
ATOM   3108 O  O   . LEU B 2 180 ? 18.647  59.661 108.252 1.00 17.10 ? 199 LEU L O   1 
ATOM   3109 C  CB  . LEU B 2 180 ? 19.269  58.839 111.078 1.00 16.37 ? 199 LEU L CB  1 
ATOM   3110 C  CG  . LEU B 2 180 ? 18.593  59.948 111.886 1.00 17.97 ? 199 LEU L CG  1 
ATOM   3111 C  CD1 . LEU B 2 180 ? 17.617  59.366 112.912 1.00 18.93 ? 199 LEU L CD1 1 
ATOM   3112 C  CD2 . LEU B 2 180 ? 19.657  60.795 112.582 1.00 16.92 ? 199 LEU L CD2 1 
ATOM   3113 N  N   . THR B 2 181 ? 16.550  59.260 108.996 1.00 18.28 ? 200 THR L N   1 
ATOM   3114 C  CA  . THR B 2 181 ? 15.907  60.149 108.031 1.00 18.19 ? 200 THR L CA  1 
ATOM   3115 C  C   . THR B 2 181 ? 15.330  61.358 108.768 1.00 20.54 ? 200 THR L C   1 
ATOM   3116 O  O   . THR B 2 181 ? 14.471  61.186 109.634 1.00 22.96 ? 200 THR L O   1 
ATOM   3117 C  CB  . THR B 2 181 ? 14.794  59.452 107.241 1.00 21.90 ? 200 THR L CB  1 
ATOM   3118 O  OG1 . THR B 2 181 ? 15.305  58.268 106.627 1.00 22.70 ? 200 THR L OG1 1 
ATOM   3119 C  CG2 . THR B 2 181 ? 14.202  60.341 106.160 1.00 25.33 ? 200 THR L CG2 1 
ATOM   3120 N  N   . LEU B 2 182 ? 15.810  62.554 108.404 1.00 21.08 ? 201 LEU L N   1 
ATOM   3121 C  CA  . LEU B 2 182 ? 15.373  63.823 108.973 1.00 23.10 ? 201 LEU L CA  1 
ATOM   3122 C  C   . LEU B 2 182 ? 14.914  64.745 107.844 1.00 23.28 ? 201 LEU L C   1 
ATOM   3123 O  O   . LEU B 2 182 ? 15.358  64.602 106.712 1.00 24.05 ? 201 LEU L O   1 
ATOM   3124 C  CB  . LEU B 2 182 ? 16.549  64.474 109.715 1.00 25.50 ? 201 LEU L CB  1 
ATOM   3125 C  CG  . LEU B 2 182 ? 17.309  63.589 110.688 1.00 28.04 ? 201 LEU L CG  1 
ATOM   3126 C  CD1 . LEU B 2 182 ? 18.555  64.297 111.203 1.00 30.91 ? 201 LEU L CD1 1 
ATOM   3127 C  CD2 . LEU B 2 182 ? 16.419  63.177 111.853 1.00 29.96 ? 201 LEU L CD2 1 
ATOM   3128 N  N   . SER B 2 183 ? 14.086  65.747 108.156 1.00 27.86 ? 202 SER L N   1 
ATOM   3129 C  CA  . SER B 2 183 ? 13.879  66.842 107.220 1.00 25.73 ? 202 SER L CA  1 
ATOM   3130 C  C   . SER B 2 183 ? 15.183  67.637 107.102 1.00 28.00 ? 202 SER L C   1 
ATOM   3131 O  O   . SER B 2 183 ? 15.993  67.645 108.027 1.00 26.96 ? 202 SER L O   1 
ATOM   3132 C  CB  . SER B 2 183 ? 12.760  67.707 107.660 1.00 27.73 ? 202 SER L CB  1 
ATOM   3133 O  OG  . SER B 2 183 ? 13.158  68.447 108.783 1.00 30.82 ? 202 SER L OG  1 
ATOM   3134 N  N   . LYS B 2 184 ? 15.396  68.295 105.954 1.00 29.22 ? 203 LYS L N   1 
ATOM   3135 C  CA  . LYS B 2 184 ? 16.510  69.222 105.796 1.00 27.86 ? 203 LYS L CA  1 
ATOM   3136 C  C   . LYS B 2 184 ? 16.488  70.292 106.886 1.00 29.63 ? 203 LYS L C   1 
ATOM   3137 O  O   . LYS B 2 184 ? 17.540  70.648 107.438 1.00 28.34 ? 203 LYS L O   1 
ATOM   3138 C  CB  . LYS B 2 184 ? 16.509  69.924 104.434 1.00 31.09 ? 203 LYS L CB  1 
ATOM   3139 C  CG  . LYS B 2 184 ? 17.676  70.896 104.268 1.00 35.42 ? 203 LYS L CG  1 
ATOM   3140 C  CD  . LYS B 2 184 ? 17.538  71.857 103.125 1.00 40.90 ? 203 LYS L CD  1 
ATOM   3141 C  CE  . LYS B 2 184 ? 18.724  72.791 103.019 1.00 45.16 ? 203 LYS L CE  1 
ATOM   3142 N  NZ  . LYS B 2 184 ? 18.706  73.536 101.742 1.00 49.52 ? 203 LYS L NZ  1 
ATOM   3143 N  N   . ALA B 2 185 ? 15.303  70.824 107.173 1.00 32.20 ? 204 ALA L N   1 
ATOM   3144 C  CA  . ALA B 2 185 ? 15.182  71.856 108.188 1.00 33.95 ? 204 ALA L CA  1 
ATOM   3145 C  C   . ALA B 2 185 ? 15.733  71.349 109.520 1.00 33.49 ? 204 ALA L C   1 
ATOM   3146 O  O   . ALA B 2 185 ? 16.473  72.084 110.175 1.00 35.86 ? 204 ALA L O   1 
ATOM   3147 C  CB  . ALA B 2 185 ? 13.748  72.306 108.319 1.00 35.82 ? 204 ALA L CB  1 
ATOM   3148 N  N   . ASP B 2 186 ? 15.374  70.110 109.908 1.00 33.93 ? 205 ASP L N   1 
ATOM   3149 C  CA  . ASP B 2 186 ? 15.807  69.538 111.186 1.00 33.80 ? 205 ASP L CA  1 
ATOM   3150 C  C   . ASP B 2 186 ? 17.321  69.347 111.163 1.00 33.68 ? 205 ASP L C   1 
ATOM   3151 O  O   . ASP B 2 186 ? 18.016  69.662 112.114 1.00 33.89 ? 205 ASP L O   1 
ATOM   3152 C  CB  . ASP B 2 186 ? 15.057  68.236 111.481 1.00 37.40 ? 205 ASP L CB  1 
ATOM   3153 C  CG  . ASP B 2 186 ? 15.337  67.561 112.818 1.00 44.75 ? 205 ASP L CG  1 
ATOM   3154 O  OD1 . ASP B 2 186 ? 15.852  68.226 113.733 1.00 45.95 ? 205 ASP L OD1 1 
ATOM   3155 O  OD2 . ASP B 2 186 ? 15.058  66.332 112.927 1.00 49.26 ? 205 ASP L OD2 1 
ATOM   3156 N  N   . TYR B 2 187 ? 17.846  68.837 110.046 1.00 29.62 ? 206 TYR L N   1 
ATOM   3157 C  CA  . TYR B 2 187 ? 19.278  68.590 109.953 1.00 26.20 ? 206 TYR L CA  1 
ATOM   3158 C  C   . TYR B 2 187 ? 20.059  69.896 110.158 1.00 27.87 ? 206 TYR L C   1 
ATOM   3159 O  O   . TYR B 2 187 ? 21.106  69.917 110.806 1.00 26.26 ? 206 TYR L O   1 
ATOM   3160 C  CB  . TYR B 2 187 ? 19.602  67.947 108.604 1.00 24.55 ? 206 TYR L CB  1 
ATOM   3161 C  CG  . TYR B 2 187 ? 21.068  67.728 108.382 1.00 23.76 ? 206 TYR L CG  1 
ATOM   3162 C  CD1 . TYR B 2 187 ? 21.728  66.726 109.063 1.00 21.30 ? 206 TYR L CD1 1 
ATOM   3163 C  CD2 . TYR B 2 187 ? 21.785  68.463 107.449 1.00 24.19 ? 206 TYR L CD2 1 
ATOM   3164 C  CE1 . TYR B 2 187 ? 23.082  66.520 108.898 1.00 21.27 ? 206 TYR L CE1 1 
ATOM   3165 C  CE2 . TYR B 2 187 ? 23.135  68.233 107.246 1.00 23.85 ? 206 TYR L CE2 1 
ATOM   3166 C  CZ  . TYR B 2 187 ? 23.792  67.274 107.990 1.00 21.28 ? 206 TYR L CZ  1 
ATOM   3167 O  OH  . TYR B 2 187 ? 25.139  67.030 107.816 1.00 23.63 ? 206 TYR L OH  1 
ATOM   3168 N  N   . GLU B 2 188 ? 19.578  70.990 109.543 1.00 28.89 ? 207 GLU L N   1 
ATOM   3169 C  CA  . GLU B 2 188 ? 20.319  72.243 109.543 1.00 30.94 ? 207 GLU L CA  1 
ATOM   3170 C  C   . GLU B 2 188 ? 20.193  72.967 110.885 1.00 32.33 ? 207 GLU L C   1 
ATOM   3171 O  O   . GLU B 2 188 ? 21.011  73.840 111.185 1.00 35.41 ? 207 GLU L O   1 
ATOM   3172 C  CB  . GLU B 2 188 ? 19.863  73.134 108.395 1.00 31.98 ? 207 GLU L CB  1 
ATOM   3173 C  CG  . GLU B 2 188 ? 20.127  72.554 107.007 1.00 33.65 ? 207 GLU L CG  1 
ATOM   3174 C  CD  . GLU B 2 188 ? 21.596  72.464 106.630 1.00 37.85 ? 207 GLU L CD  1 
ATOM   3175 O  OE1 . GLU B 2 188 ? 22.441  73.094 107.349 1.00 39.24 ? 207 GLU L OE1 1 
ATOM   3176 O  OE2 . GLU B 2 188 ? 21.901  71.753 105.644 1.00 38.60 ? 207 GLU L OE2 1 
ATOM   3177 N  N   . LYS B 2 189 ? 19.208  72.576 111.706 1.00 33.99 ? 208 LYS L N   1 
ATOM   3178 C  CA  . LYS B 2 189 ? 19.014  73.155 113.029 1.00 34.74 ? 208 LYS L CA  1 
ATOM   3179 C  C   . LYS B 2 189 ? 19.965  72.583 114.080 1.00 33.10 ? 208 LYS L C   1 
ATOM   3180 O  O   . LYS B 2 189 ? 20.060  73.112 115.181 1.00 40.70 ? 208 LYS L O   1 
ATOM   3181 C  CB  . LYS B 2 189 ? 17.571  72.916 113.493 1.00 40.34 ? 208 LYS L CB  1 
ATOM   3182 C  CG  . LYS B 2 189 ? 16.571  73.957 113.027 1.00 47.99 ? 208 LYS L CG  1 
ATOM   3183 C  CD  . LYS B 2 189 ? 15.121  73.533 113.184 1.00 56.66 ? 208 LYS L CD  1 
ATOM   3184 C  CE  . LYS B 2 189 ? 14.188  74.371 112.331 1.00 63.38 ? 208 LYS L CE  1 
ATOM   3185 N  NZ  . LYS B 2 189 ? 12.810  73.827 112.326 1.00 68.71 ? 208 LYS L NZ  1 
ATOM   3186 N  N   . HIS B 2 190 ? 20.641  71.472 113.782 1.00 31.43 ? 209 HIS L N   1 
ATOM   3187 C  CA  . HIS B 2 190 ? 21.444  70.755 114.770 1.00 30.53 ? 209 HIS L CA  1 
ATOM   3188 C  C   . HIS B 2 190 ? 22.865  70.546 114.258 1.00 31.68 ? 209 HIS L C   1 
ATOM   3189 O  O   . HIS B 2 190 ? 23.131  70.661 113.056 1.00 31.29 ? 209 HIS L O   1 
ATOM   3190 C  CB  . HIS B 2 190 ? 20.773  69.422 115.134 1.00 30.21 ? 209 HIS L CB  1 
ATOM   3191 C  CG  . HIS B 2 190 ? 19.412  69.583 115.729 1.00 33.74 ? 209 HIS L CG  1 
ATOM   3192 N  ND1 . HIS B 2 190 ? 19.219  70.006 117.020 1.00 38.11 ? 209 HIS L ND1 1 
ATOM   3193 C  CD2 . HIS B 2 190 ? 18.182  69.407 115.215 1.00 35.76 ? 209 HIS L CD2 1 
ATOM   3194 C  CE1 . HIS B 2 190 ? 17.914  70.071 117.262 1.00 36.49 ? 209 HIS L CE1 1 
ATOM   3195 N  NE2 . HIS B 2 190 ? 17.266  69.726 116.186 1.00 35.95 ? 209 HIS L NE2 1 
ATOM   3196 N  N   . LYS B 2 191 ? 23.769  70.216 115.194 1.00 28.30 ? 210 LYS L N   1 
ATOM   3197 C  CA  . LYS B 2 191 ? 25.199  70.218 114.922 1.00 30.17 ? 210 LYS L CA  1 
ATOM   3198 C  C   . LYS B 2 191 ? 25.794  68.811 114.991 1.00 26.44 ? 210 LYS L C   1 
ATOM   3199 O  O   . LYS B 2 191 ? 26.537  68.406 114.079 1.00 25.55 ? 210 LYS L O   1 
ATOM   3200 C  CB  . LYS B 2 191 ? 25.941  71.141 115.894 1.00 33.87 ? 210 LYS L CB  1 
ATOM   3201 C  CG  . LYS B 2 191 ? 27.403  71.358 115.522 1.00 40.91 ? 210 LYS L CG  1 
ATOM   3202 C  CD  . LYS B 2 191 ? 28.180  72.254 116.462 1.00 52.25 ? 210 LYS L CD  1 
ATOM   3203 C  CE  . LYS B 2 191 ? 28.522  71.584 117.779 1.00 61.04 ? 210 LYS L CE  1 
ATOM   3204 N  NZ  . LYS B 2 191 ? 29.151  72.531 118.729 1.00 68.00 ? 210 LYS L NZ  1 
ATOM   3205 N  N   . VAL B 2 192 ? 25.512  68.087 116.093 1.00 25.08 ? 211 VAL L N   1 
ATOM   3206 C  CA  . VAL B 2 192 ? 26.224  66.846 116.389 1.00 23.06 ? 211 VAL L CA  1 
ATOM   3207 C  C   . VAL B 2 192 ? 25.358  65.633 116.040 1.00 22.17 ? 211 VAL L C   1 
ATOM   3208 O  O   . VAL B 2 192 ? 24.267  65.469 116.582 1.00 22.81 ? 211 VAL L O   1 
ATOM   3209 C  CB  . VAL B 2 192 ? 26.691  66.754 117.852 1.00 24.89 ? 211 VAL L CB  1 
ATOM   3210 C  CG1 . VAL B 2 192 ? 27.434  65.451 118.100 1.00 27.38 ? 211 VAL L CG1 1 
ATOM   3211 C  CG2 . VAL B 2 192 ? 27.530  67.941 118.288 1.00 26.94 ? 211 VAL L CG2 1 
ATOM   3212 N  N   . TYR B 2 193 ? 25.897  64.761 115.178 1.00 19.65 ? 212 TYR L N   1 
ATOM   3213 C  CA  . TYR B 2 193 ? 25.206  63.574 114.695 1.00 18.97 ? 212 TYR L CA  1 
ATOM   3214 C  C   . TYR B 2 193 ? 26.030  62.376 115.134 1.00 17.63 ? 212 TYR L C   1 
ATOM   3215 O  O   . TYR B 2 193 ? 27.194  62.266 114.760 1.00 19.25 ? 212 TYR L O   1 
ATOM   3216 C  CB  . TYR B 2 193 ? 25.015  63.662 113.173 1.00 18.73 ? 212 TYR L CB  1 
ATOM   3217 C  CG  . TYR B 2 193 ? 24.007  64.724 112.838 1.00 20.23 ? 212 TYR L CG  1 
ATOM   3218 C  CD1 . TYR B 2 193 ? 22.650  64.439 112.814 1.00 19.44 ? 212 TYR L CD1 1 
ATOM   3219 C  CD2 . TYR B 2 193 ? 24.404  66.050 112.718 1.00 21.35 ? 212 TYR L CD2 1 
ATOM   3220 C  CE1 . TYR B 2 193 ? 21.709  65.436 112.614 1.00 21.88 ? 212 TYR L CE1 1 
ATOM   3221 C  CE2 . TYR B 2 193 ? 23.481  67.047 112.489 1.00 22.49 ? 212 TYR L CE2 1 
ATOM   3222 C  CZ  . TYR B 2 193 ? 22.127  66.737 112.444 1.00 22.00 ? 212 TYR L CZ  1 
ATOM   3223 O  OH  . TYR B 2 193 ? 21.182  67.692 112.241 1.00 24.96 ? 212 TYR L OH  1 
ATOM   3224 N  N   . ALA B 2 194 ? 25.421  61.491 115.922 1.00 17.68 ? 213 ALA L N   1 
ATOM   3225 C  CA  . ALA B 2 194 ? 26.147  60.383 116.536 1.00 17.27 ? 213 ALA L CA  1 
ATOM   3226 C  C   . ALA B 2 194 ? 25.371  59.079 116.397 1.00 15.94 ? 213 ALA L C   1 
ATOM   3227 O  O   . ALA B 2 194 ? 24.172  59.035 116.618 1.00 16.89 ? 213 ALA L O   1 
ATOM   3228 C  CB  . ALA B 2 194 ? 26.415  60.667 117.991 1.00 19.33 ? 213 ALA L CB  1 
ATOM   3229 N  N   . CYS B 2 195 ? 26.096  58.017 116.059 1.00 14.67 ? 214 CYS L N   1 
ATOM   3230 C  CA  . CYS B 2 195 ? 25.568  56.675 116.145 1.00 14.66 ? 214 CYS L CA  1 
ATOM   3231 C  C   . CYS B 2 195 ? 26.386  55.889 117.171 1.00 14.00 ? 214 CYS L C   1 
ATOM   3232 O  O   . CYS B 2 195 ? 27.603  55.854 117.156 1.00 13.62 ? 214 CYS L O   1 
ATOM   3233 C  CB  A CYS B 2 195 ? 25.613  56.160 114.704 0.50 15.63 ? 214 CYS L CB  1 
ATOM   3234 C  CB  B CYS B 2 195 ? 25.367  55.940 114.843 0.50 17.16 ? 214 CYS L CB  1 
ATOM   3235 S  SG  A CYS B 2 195 ? 25.682  54.378 114.424 0.50 12.66 ? 214 CYS L SG  1 
ATOM   3236 S  SG  B CYS B 2 195 ? 26.927  55.540 114.088 0.50 17.19 ? 214 CYS L SG  1 
ATOM   3237 N  N   . GLU B 2 196 ? 25.666  55.331 118.136 1.00 12.95 ? 215 GLU L N   1 
ATOM   3238 C  CA  . GLU B 2 196 ? 26.268  54.608 119.252 1.00 13.73 ? 215 GLU L CA  1 
ATOM   3239 C  C   . GLU B 2 196 ? 25.954  53.133 119.065 1.00 11.85 ? 215 GLU L C   1 
ATOM   3240 O  O   . GLU B 2 196 ? 24.771  52.762 118.899 1.00 14.22 ? 215 GLU L O   1 
ATOM   3241 C  CB  . GLU B 2 196 ? 25.773  55.097 120.616 1.00 16.24 ? 215 GLU L CB  1 
ATOM   3242 C  CG  . GLU B 2 196 ? 26.397  54.310 121.759 1.00 18.72 ? 215 GLU L CG  1 
ATOM   3243 C  CD  . GLU B 2 196 ? 26.053  54.796 123.142 1.00 24.15 ? 215 GLU L CD  1 
ATOM   3244 O  OE1 . GLU B 2 196 ? 25.298  55.749 123.243 1.00 30.14 ? 215 GLU L OE1 1 
ATOM   3245 O  OE2 . GLU B 2 196 ? 26.559  54.143 124.094 1.00 30.98 ? 215 GLU L OE2 1 
ATOM   3246 N  N   . VAL B 2 197 ? 27.008  52.317 119.119 1.00 10.45 ? 216 VAL L N   1 
ATOM   3247 C  CA  . VAL B 2 197 ? 26.915  50.898 118.799 1.00 11.29 ? 216 VAL L CA  1 
ATOM   3248 C  C   . VAL B 2 197 ? 27.275  50.061 120.038 1.00 10.88 ? 216 VAL L C   1 
ATOM   3249 O  O   . VAL B 2 197 ? 28.336  50.276 120.636 1.00 11.33 ? 216 VAL L O   1 
ATOM   3250 C  CB  . VAL B 2 197 ? 27.840  50.558 117.621 1.00 11.50 ? 216 VAL L CB  1 
ATOM   3251 C  CG1 . VAL B 2 197 ? 27.927  49.058 117.396 1.00 11.76 ? 216 VAL L CG1 1 
ATOM   3252 C  CG2 . VAL B 2 197 ? 27.401  51.287 116.361 1.00 12.45 ? 216 VAL L CG2 1 
ATOM   3253 N  N   . THR B 2 198 ? 26.394  49.114 120.368 1.00 11.31 ? 217 THR L N   1 
ATOM   3254 C  CA  . THR B 2 198 ? 26.590  48.161 121.440 1.00 11.23 ? 217 THR L CA  1 
ATOM   3255 C  C   . THR B 2 198 ? 26.650  46.776 120.803 1.00 11.26 ? 217 THR L C   1 
ATOM   3256 O  O   . THR B 2 198 ? 25.770  46.435 119.999 1.00 12.58 ? 217 THR L O   1 
ATOM   3257 C  CB  . THR B 2 198 ? 25.467  48.259 122.485 1.00 13.50 ? 217 THR L CB  1 
ATOM   3258 O  OG1 . THR B 2 198 ? 25.394  49.603 122.965 1.00 15.02 ? 217 THR L OG1 1 
ATOM   3259 C  CG2 . THR B 2 198 ? 25.691  47.348 123.659 1.00 15.19 ? 217 THR L CG2 1 
ATOM   3260 N  N   . HIS B 2 199 ? 27.726  46.042 121.058 1.00 10.38 ? 218 HIS L N   1 
ATOM   3261 C  CA  . HIS B 2 199 ? 27.902  44.721 120.486 1.00 9.52  ? 218 HIS L CA  1 
ATOM   3262 C  C   . HIS B 2 199 ? 28.845  43.924 121.386 1.00 10.03 ? 218 HIS L C   1 
ATOM   3263 O  O   . HIS B 2 199 ? 29.759  44.479 121.989 1.00 10.21 ? 218 HIS L O   1 
ATOM   3264 C  CB  . HIS B 2 199 ? 28.534  44.866 119.092 1.00 9.50  ? 218 HIS L CB  1 
ATOM   3265 C  CG  . HIS B 2 199 ? 28.699  43.569 118.380 1.00 9.15  ? 218 HIS L CG  1 
ATOM   3266 N  ND1 . HIS B 2 199 ? 29.832  42.793 118.451 1.00 9.63  ? 218 HIS L ND1 1 
ATOM   3267 C  CD2 . HIS B 2 199 ? 27.809  42.892 117.577 1.00 9.57  ? 218 HIS L CD2 1 
ATOM   3268 C  CE1 . HIS B 2 199 ? 29.624  41.667 117.758 1.00 9.97  ? 218 HIS L CE1 1 
ATOM   3269 N  NE2 . HIS B 2 199 ? 28.395  41.700 117.248 1.00 10.23 ? 218 HIS L NE2 1 
ATOM   3270 N  N   . GLN B 2 200 ? 28.617  42.620 121.452 1.00 10.65 ? 219 GLN L N   1 
ATOM   3271 C  CA  . GLN B 2 200 ? 29.336  41.792 122.419 1.00 12.62 ? 219 GLN L CA  1 
ATOM   3272 C  C   . GLN B 2 200 ? 30.838  41.757 122.149 1.00 10.70 ? 219 GLN L C   1 
ATOM   3273 O  O   . GLN B 2 200 ? 31.620  41.459 123.040 1.00 12.15 ? 219 GLN L O   1 
ATOM   3274 C  CB  . GLN B 2 200 ? 28.689  40.432 122.536 1.00 18.74 ? 219 GLN L CB  1 
ATOM   3275 C  CG  . GLN B 2 200 ? 28.917  39.471 121.458 1.00 21.53 ? 219 GLN L CG  1 
ATOM   3276 C  CD  . GLN B 2 200 ? 28.052  38.259 121.789 1.00 25.29 ? 219 GLN L CD  1 
ATOM   3277 O  OE1 . GLN B 2 200 ? 26.835  38.303 121.674 1.00 33.16 ? 219 GLN L OE1 1 
ATOM   3278 N  NE2 . GLN B 2 200 ? 28.665  37.170 122.189 1.00 30.54 ? 219 GLN L NE2 1 
ATOM   3279 N  N   . GLY B 2 201 ? 31.259  42.041 120.895 1.00 10.13 ? 220 GLY L N   1 
ATOM   3280 C  CA  . GLY B 2 201 ? 32.673  42.049 120.588 1.00 9.60  ? 220 GLY L CA  1 
ATOM   3281 C  C   . GLY B 2 201 ? 33.407  43.275 121.109 1.00 9.62  ? 220 GLY L C   1 
ATOM   3282 O  O   . GLY B 2 201 ? 34.645  43.291 121.190 1.00 11.14 ? 220 GLY L O   1 
ATOM   3283 N  N   . LEU B 2 202 ? 32.638  44.316 121.447 1.00 7.87  ? 221 LEU L N   1 
ATOM   3284 C  CA  . LEU B 2 202 ? 33.233  45.514 121.996 1.00 8.92  ? 221 LEU L CA  1 
ATOM   3285 C  C   . LEU B 2 202 ? 33.409  45.356 123.513 1.00 10.59 ? 221 LEU L C   1 
ATOM   3286 O  O   . LEU B 2 202 ? 32.667  44.670 124.190 1.00 15.49 ? 221 LEU L O   1 
ATOM   3287 C  CB  . LEU B 2 202 ? 32.339  46.703 121.664 1.00 9.65  ? 221 LEU L CB  1 
ATOM   3288 C  CG  . LEU B 2 202 ? 32.087  46.987 120.184 1.00 10.09 ? 221 LEU L CG  1 
ATOM   3289 C  CD1 . LEU B 2 202 ? 30.962  48.016 120.007 1.00 13.00 ? 221 LEU L CD1 1 
ATOM   3290 C  CD2 . LEU B 2 202 ? 33.361  47.446 119.509 1.00 9.79  ? 221 LEU L CD2 1 
ATOM   3291 N  N   . SER B 2 203 ? 34.445  45.981 124.025 1.00 10.15 ? 222 SER L N   1 
ATOM   3292 C  CA  . SER B 2 203 ? 34.636  46.048 125.467 1.00 10.59 ? 222 SER L CA  1 
ATOM   3293 C  C   . SER B 2 203 ? 33.689  47.075 126.069 1.00 9.67  ? 222 SER L C   1 
ATOM   3294 O  O   . SER B 2 203 ? 33.254  46.898 127.223 1.00 10.12 ? 222 SER L O   1 
ATOM   3295 C  CB  . SER B 2 203 ? 36.064  46.396 125.789 1.00 11.83 ? 222 SER L CB  1 
ATOM   3296 O  OG  . SER B 2 203 ? 36.952  45.511 125.119 1.00 13.71 ? 222 SER L OG  1 
ATOM   3297 N  N   . SER B 2 204 ? 33.357  48.117 125.349 1.00 9.64  ? 223 SER L N   1 
ATOM   3298 C  CA  . SER B 2 204 ? 32.434  49.166 125.743 1.00 9.58  ? 223 SER L CA  1 
ATOM   3299 C  C   . SER B 2 204 ? 31.785  49.702 124.478 1.00 9.77  ? 223 SER L C   1 
ATOM   3300 O  O   . SER B 2 204 ? 32.409  49.632 123.414 1.00 10.61 ? 223 SER L O   1 
ATOM   3301 C  CB  A SER B 2 204 ? 33.106  50.334 126.452 0.50 9.17  ? 223 SER L CB  1 
ATOM   3302 C  CB  B SER B 2 204 ? 33.129  50.244 126.560 0.50 11.89 ? 223 SER L CB  1 
ATOM   3303 O  OG  A SER B 2 204 ? 33.876  49.912 127.564 0.50 7.95  ? 223 SER L OG  1 
ATOM   3304 O  OG  B SER B 2 204 ? 34.306  50.709 125.933 0.50 16.32 ? 223 SER L OG  1 
ATOM   3305 N  N   . PRO B 2 205 ? 30.577  50.254 124.565 1.00 10.55 ? 224 PRO L N   1 
ATOM   3306 C  CA  . PRO B 2 205 ? 29.953  50.819 123.374 1.00 10.92 ? 224 PRO L CA  1 
ATOM   3307 C  C   . PRO B 2 205 ? 30.788  51.904 122.736 1.00 10.75 ? 224 PRO L C   1 
ATOM   3308 O  O   . PRO B 2 205 ? 31.507  52.630 123.373 1.00 12.50 ? 224 PRO L O   1 
ATOM   3309 C  CB  . PRO B 2 205 ? 28.642  51.430 123.877 1.00 14.08 ? 224 PRO L CB  1 
ATOM   3310 C  CG  . PRO B 2 205 ? 28.356  50.665 125.146 1.00 14.76 ? 224 PRO L CG  1 
ATOM   3311 C  CD  . PRO B 2 205 ? 29.689  50.291 125.748 1.00 12.85 ? 224 PRO L CD  1 
ATOM   3312 N  N   . VAL B 2 206 ? 30.660  51.958 121.391 1.00 10.16 ? 225 VAL L N   1 
ATOM   3313 C  CA  . VAL B 2 206 ? 31.403  52.887 120.539 1.00 11.11 ? 225 VAL L CA  1 
ATOM   3314 C  C   . VAL B 2 206 ? 30.447  53.915 119.952 1.00 10.98 ? 225 VAL L C   1 
ATOM   3315 O  O   . VAL B 2 206 ? 29.399  53.562 119.410 1.00 13.12 ? 225 VAL L O   1 
ATOM   3316 C  CB  . VAL B 2 206 ? 32.142  52.130 119.414 1.00 12.80 ? 225 VAL L CB  1 
ATOM   3317 C  CG1 . VAL B 2 206 ? 32.668  53.069 118.345 1.00 14.89 ? 225 VAL L CG1 1 
ATOM   3318 C  CG2 . VAL B 2 206 ? 33.269  51.322 119.972 1.00 13.34 ? 225 VAL L CG2 1 
ATOM   3319 N  N   . THR B 2 207 ? 30.853  55.185 120.022 1.00 12.39 ? 226 THR L N   1 
ATOM   3320 C  CA  . THR B 2 207 ? 30.109  56.256 119.378 1.00 12.94 ? 226 THR L CA  1 
ATOM   3321 C  C   . THR B 2 207 ? 30.944  56.838 118.245 1.00 13.91 ? 226 THR L C   1 
ATOM   3322 O  O   . THR B 2 207 ? 32.117  57.159 118.422 1.00 16.47 ? 226 THR L O   1 
ATOM   3323 C  CB  . THR B 2 207 ? 29.754  57.362 120.367 1.00 16.69 ? 226 THR L CB  1 
ATOM   3324 O  OG1 . THR B 2 207 ? 29.003  56.764 121.423 1.00 18.16 ? 226 THR L OG1 1 
ATOM   3325 C  CG2 . THR B 2 207 ? 28.951  58.456 119.718 1.00 19.41 ? 226 THR L CG2 1 
ATOM   3326 N  N   . LYS B 2 208 ? 30.318  56.933 117.069 1.00 13.17 ? 227 LYS L N   1 
ATOM   3327 C  CA  . LYS B 2 208 ? 30.927  57.567 115.913 1.00 13.64 ? 227 LYS L CA  1 
ATOM   3328 C  C   . LYS B 2 208 ? 30.087  58.799 115.613 1.00 14.34 ? 227 LYS L C   1 
ATOM   3329 O  O   . LYS B 2 208 ? 28.871  58.684 115.503 1.00 14.85 ? 227 LYS L O   1 
ATOM   3330 C  CB  . LYS B 2 208 ? 30.930  56.574 114.753 1.00 16.36 ? 227 LYS L CB  1 
ATOM   3331 C  CG  . LYS B 2 208 ? 31.861  56.937 113.619 1.00 18.30 ? 227 LYS L CG  1 
ATOM   3332 C  CD  . LYS B 2 208 ? 33.299  56.680 114.008 1.00 20.75 ? 227 LYS L CD  1 
ATOM   3333 C  CE  . LYS B 2 208 ? 34.250  56.806 112.849 1.00 22.68 ? 227 LYS L CE  1 
ATOM   3334 N  NZ  . LYS B 2 208 ? 35.637  56.654 113.318 1.00 23.02 ? 227 LYS L NZ  1 
ATOM   3335 N  N   . SER B 2 209 ? 30.730  59.960 115.466 1.00 16.25 ? 228 SER L N   1 
ATOM   3336 C  CA  . SER B 2 209 ? 29.983  61.199 115.306 1.00 17.67 ? 228 SER L CA  1 
ATOM   3337 C  C   . SER B 2 209 ? 30.674  62.123 114.305 1.00 18.44 ? 228 SER L C   1 
ATOM   3338 O  O   . SER B 2 209 ? 31.849  61.946 113.958 1.00 20.06 ? 228 SER L O   1 
ATOM   3339 C  CB  . SER B 2 209 ? 29.769  61.862 116.619 1.00 23.83 ? 228 SER L CB  1 
ATOM   3340 O  OG  . SER B 2 209 ? 30.978  62.348 117.062 1.00 27.24 ? 228 SER L OG  1 
ATOM   3341 N  N   . PHE B 2 210 ? 29.885  63.072 113.810 1.00 18.71 ? 229 PHE L N   1 
ATOM   3342 C  CA  . PHE B 2 210 ? 30.428  64.199 113.067 1.00 20.20 ? 229 PHE L CA  1 
ATOM   3343 C  C   . PHE B 2 210 ? 29.675  65.458 113.467 1.00 20.45 ? 229 PHE L C   1 
ATOM   3344 O  O   . PHE B 2 210 ? 28.541  65.379 113.931 1.00 19.58 ? 229 PHE L O   1 
ATOM   3345 C  CB  . PHE B 2 210 ? 30.349  63.977 111.557 1.00 19.99 ? 229 PHE L CB  1 
ATOM   3346 C  CG  . PHE B 2 210 ? 28.951  63.937 110.988 1.00 19.06 ? 229 PHE L CG  1 
ATOM   3347 C  CD1 . PHE B 2 210 ? 28.340  65.103 110.510 1.00 20.05 ? 229 PHE L CD1 1 
ATOM   3348 C  CD2 . PHE B 2 210 ? 28.254  62.751 110.863 1.00 18.04 ? 229 PHE L CD2 1 
ATOM   3349 C  CE1 . PHE B 2 210 ? 27.053  65.081 109.984 1.00 21.26 ? 229 PHE L CE1 1 
ATOM   3350 C  CE2 . PHE B 2 210 ? 26.977  62.728 110.301 1.00 18.81 ? 229 PHE L CE2 1 
ATOM   3351 C  CZ  . PHE B 2 210 ? 26.369  63.887 109.886 1.00 20.31 ? 229 PHE L CZ  1 
ATOM   3352 N  N   . ASN B 2 211 ? 30.312  66.605 113.194 1.00 22.81 ? 230 ASN L N   1 
ATOM   3353 C  CA  . ASN B 2 211 ? 29.669  67.889 113.255 1.00 25.42 ? 230 ASN L CA  1 
ATOM   3354 C  C   . ASN B 2 211 ? 29.321  68.316 111.837 1.00 24.68 ? 230 ASN L C   1 
ATOM   3355 O  O   . ASN B 2 211 ? 30.175  68.236 110.935 1.00 27.11 ? 230 ASN L O   1 
ATOM   3356 C  CB  . ASN B 2 211 ? 30.589  68.921 113.908 1.00 27.95 ? 230 ASN L CB  1 
ATOM   3357 C  CG  . ASN B 2 211 ? 31.021  68.582 115.315 1.00 29.88 ? 230 ASN L CG  1 
ATOM   3358 O  OD1 . ASN B 2 211 ? 32.154  68.866 115.711 1.00 38.25 ? 230 ASN L OD1 1 
ATOM   3359 N  ND2 . ASN B 2 211 ? 30.125  68.019 116.098 1.00 33.07 ? 230 ASN L ND2 1 
ATOM   3360 N  N   . ARG B 2 212 ? 28.062  68.715 111.652 1.00 23.50 ? 231 ARG L N   1 
ATOM   3361 C  CA  . ARG B 2 212 ? 27.575  69.147 110.355 1.00 27.55 ? 231 ARG L CA  1 
ATOM   3362 C  C   . ARG B 2 212 ? 28.489  70.244 109.810 1.00 33.45 ? 231 ARG L C   1 
ATOM   3363 O  O   . ARG B 2 212 ? 28.706  71.236 110.501 1.00 39.59 ? 231 ARG L O   1 
ATOM   3364 C  CB  . ARG B 2 212 ? 26.135  69.650 110.494 1.00 25.95 ? 231 ARG L CB  1 
ATOM   3365 C  CG  . ARG B 2 212 ? 25.590  70.317 109.243 1.00 27.48 ? 231 ARG L CG  1 
ATOM   3366 C  CD  . ARG B 2 212 ? 24.151  70.762 109.425 1.00 26.72 ? 231 ARG L CD  1 
ATOM   3367 N  NE  . ARG B 2 212 ? 23.926  71.579 110.599 1.00 30.49 ? 231 ARG L NE  1 
ATOM   3368 C  CZ  . ARG B 2 212 ? 24.420  72.798 110.782 1.00 33.55 ? 231 ARG L CZ  1 
ATOM   3369 N  NH1 . ARG B 2 212 ? 25.077  73.420 109.816 1.00 37.92 ? 231 ARG L NH1 1 
ATOM   3370 N  NH2 . ARG B 2 212 ? 24.217  73.411 111.931 1.00 33.30 ? 231 ARG L NH2 1 
ATOM   3371 N  N   . GLY B 2 213 ? 29.010  70.035 108.581 1.00 35.63 ? 232 GLY L N   1 
ATOM   3372 C  CA  . GLY B 2 213 ? 29.891  70.975 107.910 1.00 36.24 ? 232 GLY L CA  1 
ATOM   3373 C  C   . GLY B 2 213 ? 31.375  70.594 107.948 1.00 38.59 ? 232 GLY L C   1 
ATOM   3374 O  O   . GLY B 2 213 ? 32.160  71.179 107.199 1.00 41.58 ? 232 GLY L O   1 
ATOM   3375 N  N   . GLU B 2 214 ? 31.790  69.637 108.794 1.00 37.12 ? 233 GLU L N   1 
ATOM   3376 C  CA  . GLU B 2 214 ? 33.221  69.428 109.010 1.00 38.49 ? 233 GLU L CA  1 
ATOM   3377 C  C   . GLU B 2 214 ? 33.886  68.835 107.758 1.00 39.90 ? 233 GLU L C   1 
ATOM   3378 O  O   . GLU B 2 214 ? 33.239  68.195 106.925 1.00 37.19 ? 233 GLU L O   1 
ATOM   3379 C  CB  . GLU B 2 214 ? 33.480  68.540 110.240 1.00 37.63 ? 233 GLU L CB  1 
ATOM   3380 C  CG  . GLU B 2 214 ? 33.346  67.025 110.010 1.00 37.81 ? 233 GLU L CG  1 
ATOM   3381 C  CD  . GLU B 2 214 ? 33.489  66.127 111.241 1.00 34.13 ? 233 GLU L CD  1 
ATOM   3382 O  OE1 . GLU B 2 214 ? 33.331  66.637 112.396 1.00 32.51 ? 233 GLU L OE1 1 
ATOM   3383 O  OE2 . GLU B 2 214 ? 33.791  64.895 111.058 1.00 32.94 ? 233 GLU L OE2 1 
ATOM   3384 N  N   . CYS B 2 215 ? 35.208  69.015 107.636 1.00 39.65 ? 234 CYS L N   1 
ATOM   3385 C  CA  . CYS B 2 215 ? 35.920  68.460 106.491 1.00 37.37 ? 234 CYS L CA  1 
ATOM   3386 C  C   . CYS B 2 215 ? 36.357  67.010 106.764 1.00 38.16 ? 234 CYS L C   1 
ATOM   3387 O  O   . CYS B 2 215 ? 36.679  66.355 105.725 1.00 40.59 ? 234 CYS L O   1 
ATOM   3388 C  CB  . CYS B 2 215 ? 37.105  69.337 106.106 1.00 37.00 ? 234 CYS L CB  1 
ATOM   3389 S  SG  . CYS B 2 215 ? 38.301  69.577 107.458 1.00 41.74 ? 234 CYS L SG  1 
HETATM 3390 S  S   . SO4 C 3 .   ? -1.988  30.139 99.390  0.60 20.19 ? 301 SO4 H S   1 
HETATM 3391 O  O1  . SO4 C 3 .   ? -2.322  31.536 99.303  0.60 29.26 ? 301 SO4 H O1  1 
HETATM 3392 O  O2  . SO4 C 3 .   ? -1.520  29.704 98.117  0.60 19.40 ? 301 SO4 H O2  1 
HETATM 3393 O  O3  . SO4 C 3 .   ? -3.177  29.424 99.830  0.60 25.64 ? 301 SO4 H O3  1 
HETATM 3394 O  O4  . SO4 C 3 .   ? -0.938  29.906 100.335 0.60 24.89 ? 301 SO4 H O4  1 
HETATM 3395 S  S   . SO4 D 3 .   ? -5.968  20.368 90.242  0.50 24.57 ? 302 SO4 H S   1 
HETATM 3396 O  O1  . SO4 D 3 .   ? -6.271  19.027 89.802  0.50 28.21 ? 302 SO4 H O1  1 
HETATM 3397 O  O2  . SO4 D 3 .   ? -6.019  21.211 89.092  0.50 31.57 ? 302 SO4 H O2  1 
HETATM 3398 O  O3  . SO4 D 3 .   ? -6.994  20.790 91.224  0.50 25.29 ? 302 SO4 H O3  1 
HETATM 3399 O  O4  . SO4 D 3 .   ? -4.681  20.403 90.734  0.50 21.09 ? 302 SO4 H O4  1 
HETATM 3400 S  S   . SO4 E 3 .   ? -0.656  9.585  73.930  1.00 27.90 ? 303 SO4 H S   1 
HETATM 3401 O  O1  . SO4 E 3 .   ? 0.230   9.069  72.872  1.00 36.05 ? 303 SO4 H O1  1 
HETATM 3402 O  O2  . SO4 E 3 .   ? -1.003  11.029 73.687  1.00 18.97 ? 303 SO4 H O2  1 
HETATM 3403 O  O3  . SO4 E 3 .   ? -1.892  8.751  73.889  1.00 34.42 ? 303 SO4 H O3  1 
HETATM 3404 O  O4  . SO4 E 3 .   ? -0.010  9.412  75.230  1.00 34.91 ? 303 SO4 H O4  1 
HETATM 3405 S  S   . SO4 F 3 .   ? -5.892  41.175 98.450  0.50 25.20 ? 304 SO4 H S   1 
HETATM 3406 O  O1  . SO4 F 3 .   ? -4.922  40.103 97.988  0.50 30.21 ? 304 SO4 H O1  1 
HETATM 3407 O  O2  . SO4 F 3 .   ? -6.522  41.786 97.321  0.50 24.91 ? 304 SO4 H O2  1 
HETATM 3408 O  O3  . SO4 F 3 .   ? -6.913  40.594 99.231  0.50 30.94 ? 304 SO4 H O3  1 
HETATM 3409 O  O4  . SO4 F 3 .   ? -5.162  42.170 99.126  0.50 32.38 ? 304 SO4 H O4  1 
HETATM 3410 S  S   . SO4 G 3 .   ? 10.703  58.289 87.007  0.50 22.28 ? 305 SO4 H S   1 
HETATM 3411 O  O1  . SO4 G 3 .   ? 10.496  56.836 87.099  0.50 24.24 ? 305 SO4 H O1  1 
HETATM 3412 O  O2  . SO4 G 3 .   ? 10.819  58.695 85.618  0.50 23.02 ? 305 SO4 H O2  1 
HETATM 3413 O  O3  . SO4 G 3 .   ? 9.577   58.991 87.602  0.50 25.55 ? 305 SO4 H O3  1 
HETATM 3414 O  O4  . SO4 G 3 .   ? 11.907  58.629 87.736  0.50 27.81 ? 305 SO4 H O4  1 
HETATM 3415 S  S   . SO4 H 3 .   ? 8.153   38.856 77.704  0.60 23.21 ? 306 SO4 H S   1 
HETATM 3416 O  O1  . SO4 H 3 .   ? 8.798   38.806 76.413  0.60 30.22 ? 306 SO4 H O1  1 
HETATM 3417 O  O2  . SO4 H 3 .   ? 6.783   39.233 77.542  0.60 28.39 ? 306 SO4 H O2  1 
HETATM 3418 O  O3  . SO4 H 3 .   ? 8.248   37.551 78.303  0.60 18.80 ? 306 SO4 H O3  1 
HETATM 3419 O  O4  . SO4 H 3 .   ? 8.810   39.848 78.535  0.60 27.51 ? 306 SO4 H O4  1 
HETATM 3420 S  S   . SO4 I 3 .   ? -7.652  34.064 99.771  0.50 32.28 ? 307 SO4 H S   1 
HETATM 3421 O  O1  . SO4 I 3 .   ? -7.630  34.526 98.440  0.50 24.59 ? 307 SO4 H O1  1 
HETATM 3422 O  O2  . SO4 I 3 .   ? -8.683  33.054 99.896  0.50 26.92 ? 307 SO4 H O2  1 
HETATM 3423 O  O3  . SO4 I 3 .   ? -6.378  33.526 100.131 0.50 35.27 ? 307 SO4 H O3  1 
HETATM 3424 O  O4  . SO4 I 3 .   ? -7.950  35.173 100.640 0.50 33.52 ? 307 SO4 H O4  1 
HETATM 3425 S  S   . SO4 J 3 .   ? 7.470   17.787 89.295  0.50 33.60 ? 308 SO4 H S   1 
HETATM 3426 O  O1  . SO4 J 3 .   ? 7.778   18.806 88.279  0.50 23.01 ? 308 SO4 H O1  1 
HETATM 3427 O  O2  . SO4 J 3 .   ? 6.105   17.365 89.077  0.50 25.30 ? 308 SO4 H O2  1 
HETATM 3428 O  O3  . SO4 J 3 .   ? 8.327   16.635 89.227  0.50 28.47 ? 308 SO4 H O3  1 
HETATM 3429 O  O4  . SO4 J 3 .   ? 7.598   18.313 90.624  0.50 29.38 ? 308 SO4 H O4  1 
HETATM 3430 S  S   . SO4 K 3 .   ? -6.071  42.575 96.849  0.50 20.54 ? 309 SO4 H S   1 
HETATM 3431 O  O1  . SO4 K 3 .   ? -4.874  42.964 96.076  0.50 21.69 ? 309 SO4 H O1  1 
HETATM 3432 O  O2  . SO4 K 3 .   ? -6.842  41.702 96.032  0.50 21.32 ? 309 SO4 H O2  1 
HETATM 3433 O  O3  . SO4 K 3 .   ? -6.865  43.720 97.213  0.50 25.58 ? 309 SO4 H O3  1 
HETATM 3434 O  O4  . SO4 K 3 .   ? -5.710  41.905 98.076  0.50 19.76 ? 309 SO4 H O4  1 
HETATM 3435 NA NA  . NA  L 4 .   ? -2.397  27.732 99.016  1.00 55.79 ? 310 NA  H NA  1 
HETATM 3436 S  S   . SO4 M 3 .   ? 33.917  17.772 100.209 0.70 14.90 ? 301 SO4 L S   1 
HETATM 3437 O  O1  . SO4 M 3 .   ? 32.566  18.014 100.146 1.00 19.80 ? 301 SO4 L O1  1 
HETATM 3438 O  O2  . SO4 M 3 .   ? 34.480  17.549 98.892  1.00 25.15 ? 301 SO4 L O2  1 
HETATM 3439 O  O3  . SO4 M 3 .   ? 34.184  16.717 101.157 1.00 28.11 ? 301 SO4 L O3  1 
HETATM 3440 O  O4  . SO4 M 3 .   ? 34.468  19.002 100.734 1.00 30.57 ? 301 SO4 L O4  1 
HETATM 3441 S  S   . SO4 N 3 .   ? 34.135  14.306 105.949 1.00 28.50 ? 302 SO4 L S   1 
HETATM 3442 O  O1  . SO4 N 3 .   ? 34.557  12.953 105.618 1.00 32.62 ? 302 SO4 L O1  1 
HETATM 3443 O  O2  . SO4 N 3 .   ? 33.140  14.805 104.884 1.00 28.89 ? 302 SO4 L O2  1 
HETATM 3444 O  O3  . SO4 N 3 .   ? 33.466  14.326 107.187 1.00 30.05 ? 302 SO4 L O3  1 
HETATM 3445 O  O4  . SO4 N 3 .   ? 35.284  15.154 105.967 1.00 34.65 ? 302 SO4 L O4  1 
HETATM 3446 S  S   . SO4 O 3 .   ? 32.558  23.328 97.069  0.60 38.55 ? 303 SO4 L S   1 
HETATM 3447 O  O1  . SO4 O 3 .   ? 32.675  22.835 95.711  0.60 38.18 ? 303 SO4 L O1  1 
HETATM 3448 O  O2  . SO4 O 3 .   ? 33.354  24.535 97.197  0.60 39.03 ? 303 SO4 L O2  1 
HETATM 3449 O  O3  . SO4 O 3 .   ? 33.041  22.350 97.986  0.60 21.35 ? 303 SO4 L O3  1 
HETATM 3450 O  O4  . SO4 O 3 .   ? 31.177  23.629 97.320  0.60 35.52 ? 303 SO4 L O4  1 
HETATM 3451 S  S   . SO4 P 3 .   ? 29.386  8.331  99.613  0.50 22.11 ? 304 SO4 L S   1 
HETATM 3452 O  O1  . SO4 P 3 .   ? 30.633  7.758  99.232  0.50 25.83 ? 304 SO4 L O1  1 
HETATM 3453 O  O2  . SO4 P 3 .   ? 28.524  8.659  98.577  0.50 22.78 ? 304 SO4 L O2  1 
HETATM 3454 O  O3  . SO4 P 3 .   ? 29.617  9.532  100.368 0.50 24.10 ? 304 SO4 L O3  1 
HETATM 3455 O  O4  . SO4 P 3 .   ? 28.728  7.400  100.475 0.50 28.89 ? 304 SO4 L O4  1 
HETATM 3456 S  S   . SO4 Q 3 .   ? 10.047  3.234  98.972  1.00 35.11 ? 305 SO4 L S   1 
HETATM 3457 O  O1  . SO4 Q 3 .   ? 10.826  2.051  99.200  1.00 45.16 ? 305 SO4 L O1  1 
HETATM 3458 O  O2  . SO4 Q 3 .   ? 9.824   3.423  97.557  1.00 45.65 ? 305 SO4 L O2  1 
HETATM 3459 O  O3  . SO4 Q 3 .   ? 8.774   3.101  99.636  1.00 45.73 ? 305 SO4 L O3  1 
HETATM 3460 O  O4  . SO4 Q 3 .   ? 10.731  4.361  99.512  1.00 31.24 ? 305 SO4 L O4  1 
HETATM 3461 S  S   . SO4 R 3 .   ? 14.977  16.388 114.997 0.60 9.82  ? 306 SO4 L S   1 
HETATM 3462 O  O1  . SO4 R 3 .   ? 16.132  16.257 114.145 0.60 13.28 ? 306 SO4 L O1  1 
HETATM 3463 O  O2  . SO4 R 3 .   ? 13.860  16.970 114.351 0.60 13.34 ? 306 SO4 L O2  1 
HETATM 3464 O  O3  . SO4 R 3 .   ? 14.593  15.047 115.349 0.60 14.30 ? 306 SO4 L O3  1 
HETATM 3465 O  O4  . SO4 R 3 .   ? 15.376  17.090 116.186 0.60 13.83 ? 306 SO4 L O4  1 
HETATM 3466 S  S   . SO4 S 3 .   ? 18.391  5.244  105.959 1.00 40.13 ? 307 SO4 L S   1 
HETATM 3467 O  O1  . SO4 S 3 .   ? 19.703  5.237  105.277 1.00 41.89 ? 307 SO4 L O1  1 
HETATM 3468 O  O2  . SO4 S 3 .   ? 17.425  5.652  104.941 1.00 33.45 ? 307 SO4 L O2  1 
HETATM 3469 O  O3  . SO4 S 3 .   ? 18.380  6.111  107.147 1.00 37.05 ? 307 SO4 L O3  1 
HETATM 3470 O  O4  . SO4 S 3 .   ? 18.115  3.888  106.398 1.00 52.28 ? 307 SO4 L O4  1 
HETATM 3471 S  S   . SO4 T 3 .   ? 27.629  66.481 97.285  1.00 73.92 ? 308 SO4 L S   1 
HETATM 3472 O  O1  . SO4 T 3 .   ? 27.992  67.778 96.750  1.00 62.63 ? 308 SO4 L O1  1 
HETATM 3473 O  O2  . SO4 T 3 .   ? 26.323  66.104 96.819  1.00 49.07 ? 308 SO4 L O2  1 
HETATM 3474 O  O3  . SO4 T 3 .   ? 27.624  66.543 98.741  1.00 71.93 ? 308 SO4 L O3  1 
HETATM 3475 O  O4  . SO4 T 3 .   ? 28.579  65.490 96.839  1.00 78.36 ? 308 SO4 L O4  1 
HETATM 3476 O  O   . HOH U 5 .   ? -8.399  36.784 100.556 0.50 37.54 ? 401 HOH H O   1 
HETATM 3477 O  O   . HOH U 5 .   ? 6.474   19.582 90.657  0.50 15.39 ? 402 HOH H O   1 
HETATM 3478 O  O   . HOH U 5 .   ? -5.163  31.852 99.616  1.00 32.52 ? 403 HOH H O   1 
HETATM 3479 O  O   . HOH U 5 .   ? 9.680   14.173 84.843  1.00 18.78 ? 404 HOH H O   1 
HETATM 3480 O  O   . HOH U 5 .   ? 40.499  47.416 106.107 1.00 45.25 ? 405 HOH H O   1 
HETATM 3481 O  O   . HOH U 5 .   ? -2.669  33.573 96.168  0.50 15.70 ? 406 HOH H O   1 
HETATM 3482 O  O   . HOH U 5 .   ? 10.981  9.834  90.958  1.00 46.57 ? 407 HOH H O   1 
HETATM 3483 O  O   . HOH U 5 .   ? 39.804  52.755 108.766 1.00 78.78 ? 408 HOH H O   1 
HETATM 3484 O  O   . HOH U 5 .   ? 35.319  61.032 102.280 1.00 34.56 ? 409 HOH H O   1 
HETATM 3485 O  O   . HOH U 5 .   ? -1.276  33.663 98.761  1.00 43.11 ? 410 HOH H O   1 
HETATM 3486 O  O   . HOH U 5 .   ? 13.234  15.471 75.069  1.00 42.85 ? 411 HOH H O   1 
HETATM 3487 O  O   . HOH U 5 .   ? 22.296  26.477 77.108  1.00 35.99 ? 412 HOH H O   1 
HETATM 3488 O  O   . HOH U 5 .   ? 38.719  57.977 95.347  1.00 46.12 ? 413 HOH H O   1 
HETATM 3489 O  O   . HOH U 5 .   ? 15.103  46.328 95.646  1.00 34.98 ? 414 HOH H O   1 
HETATM 3490 O  O   . HOH U 5 .   ? 13.076  11.096 84.980  1.00 46.42 ? 415 HOH H O   1 
HETATM 3491 O  O   . HOH U 5 .   ? -6.615  40.390 101.719 1.00 36.45 ? 416 HOH H O   1 
HETATM 3492 O  O   . HOH U 5 .   ? -6.009  30.576 81.341  1.00 18.12 ? 417 HOH H O   1 
HETATM 3493 O  O   . HOH U 5 .   ? 41.488  55.621 107.417 1.00 36.55 ? 418 HOH H O   1 
HETATM 3494 O  O   . HOH U 5 .   ? 16.287  22.016 76.213  0.50 39.97 ? 419 HOH H O   1 
HETATM 3495 O  O   . HOH U 5 .   ? 17.382  12.397 84.670  1.00 23.63 ? 420 HOH H O   1 
HETATM 3496 O  O   . HOH U 5 .   ? 17.462  49.917 82.874  1.00 37.46 ? 421 HOH H O   1 
HETATM 3497 O  O   . HOH U 5 .   ? 33.698  46.073 103.421 1.00 33.15 ? 422 HOH H O   1 
HETATM 3498 O  O   . HOH U 5 .   ? 6.153   36.192 78.811  1.00 12.61 ? 423 HOH H O   1 
HETATM 3499 O  O   . HOH U 5 .   ? 13.229  19.111 74.600  1.00 22.72 ? 424 HOH H O   1 
HETATM 3500 O  O   . HOH U 5 .   ? 9.895   60.204 89.826  1.00 37.41 ? 425 HOH H O   1 
HETATM 3501 O  O   . HOH U 5 .   ? -8.850  19.841 92.704  1.00 47.04 ? 426 HOH H O   1 
HETATM 3502 O  O   . HOH U 5 .   ? 12.442  60.008 102.782 1.00 35.96 ? 427 HOH H O   1 
HETATM 3503 O  O   . HOH U 5 .   ? 4.444   39.213 78.604  1.00 16.72 ? 428 HOH H O   1 
HETATM 3504 O  O   . HOH U 5 .   ? 14.130  9.697  92.068  1.00 50.11 ? 429 HOH H O   1 
HETATM 3505 O  O   . HOH U 5 .   ? 14.327  57.947 86.972  1.00 31.74 ? 430 HOH H O   1 
HETATM 3506 O  O   . HOH U 5 .   ? 8.600   36.584 75.016  1.00 28.00 ? 431 HOH H O   1 
HETATM 3507 O  O   . HOH U 5 .   ? -2.979  43.564 83.466  1.00 16.35 ? 432 HOH H O   1 
HETATM 3508 O  O   . HOH U 5 .   ? 10.534  39.507 84.101  1.00 29.45 ? 433 HOH H O   1 
HETATM 3509 O  O   . HOH U 5 .   ? 9.068   43.799 99.211  1.00 35.34 ? 434 HOH H O   1 
HETATM 3510 O  O   . HOH U 5 .   ? 19.117  49.138 102.713 1.00 44.29 ? 435 HOH H O   1 
HETATM 3511 O  O   . HOH U 5 .   ? -9.779  42.285 86.319  1.00 32.03 ? 436 HOH H O   1 
HETATM 3512 O  O   . HOH U 5 .   ? 12.837  34.739 96.046  1.00 20.88 ? 437 HOH H O   1 
HETATM 3513 O  O   . HOH U 5 .   ? -0.603  41.961 81.175  1.00 54.77 ? 438 HOH H O   1 
HETATM 3514 O  O   . HOH U 5 .   ? -3.911  44.398 99.827  1.00 61.36 ? 439 HOH H O   1 
HETATM 3515 O  O   . HOH U 5 .   ? 5.887   26.854 68.669  1.00 17.56 ? 440 HOH H O   1 
HETATM 3516 O  O   . HOH U 5 .   ? 22.972  61.184 91.308  1.00 43.52 ? 441 HOH H O   1 
HETATM 3517 O  O   . HOH U 5 .   ? 18.429  11.834 86.094  1.00 27.17 ? 442 HOH H O   1 
HETATM 3518 O  O   . HOH U 5 .   ? 36.267  58.584 93.629  1.00 35.24 ? 443 HOH H O   1 
HETATM 3519 O  O   . HOH U 5 .   ? 26.390  44.815 94.673  1.00 26.33 ? 444 HOH H O   1 
HETATM 3520 O  O   . HOH U 5 .   ? -2.809  32.390 95.547  0.50 12.70 ? 445 HOH H O   1 
HETATM 3521 O  O   . HOH U 5 .   ? 31.985  52.463 86.204  1.00 33.60 ? 446 HOH H O   1 
HETATM 3522 O  O   . HOH U 5 .   ? -5.205  24.250 82.979  1.00 11.91 ? 447 HOH H O   1 
HETATM 3523 O  O   . HOH U 5 .   ? 37.870  46.763 98.226  1.00 30.54 ? 448 HOH H O   1 
HETATM 3524 O  O   . HOH U 5 .   ? 15.912  34.786 93.176  1.00 23.32 ? 449 HOH H O   1 
HETATM 3525 O  O   . HOH U 5 .   ? -4.010  45.403 96.717  1.00 40.75 ? 450 HOH H O   1 
HETATM 3526 O  O   . HOH U 5 .   ? -4.749  42.152 81.995  1.00 29.50 ? 451 HOH H O   1 
HETATM 3527 O  O   . HOH U 5 .   ? -0.111  29.172 80.067  1.00 7.56  ? 452 HOH H O   1 
HETATM 3528 O  O   . HOH U 5 .   ? 36.342  49.166 85.584  1.00 45.39 ? 453 HOH H O   1 
HETATM 3529 O  O   . HOH U 5 .   ? 38.212  45.925 102.787 1.00 50.50 ? 454 HOH H O   1 
HETATM 3530 O  O   . HOH U 5 .   ? 9.233   12.478 89.154  1.00 26.95 ? 455 HOH H O   1 
HETATM 3531 O  O   . HOH U 5 .   ? 8.323   32.051 74.100  1.00 13.80 ? 456 HOH H O   1 
HETATM 3532 O  O   . HOH U 5 .   ? 7.797   42.014 82.115  1.00 38.96 ? 457 HOH H O   1 
HETATM 3533 O  O   . HOH U 5 .   ? 1.771   43.603 96.612  1.00 31.92 ? 458 HOH H O   1 
HETATM 3534 O  O   . HOH U 5 .   ? 10.548  58.289 100.686 1.00 29.77 ? 459 HOH H O   1 
HETATM 3535 O  O   . HOH U 5 .   ? -9.972  38.714 85.701  1.00 14.39 ? 460 HOH H O   1 
HETATM 3536 O  O   . HOH U 5 .   ? -1.608  11.680 80.107  1.00 24.18 ? 461 HOH H O   1 
HETATM 3537 O  O   . HOH U 5 .   ? 7.240   57.724 88.480  1.00 18.49 ? 462 HOH H O   1 
HETATM 3538 O  O   . HOH U 5 .   ? 14.637  37.946 81.053  1.00 37.02 ? 463 HOH H O   1 
HETATM 3539 O  O   . HOH U 5 .   ? -6.534  22.720 93.071  1.00 21.90 ? 464 HOH H O   1 
HETATM 3540 O  O   . HOH U 5 .   ? 2.552   38.206 98.675  1.00 19.09 ? 465 HOH H O   1 
HETATM 3541 O  O   . HOH U 5 .   ? 5.775   54.150 93.201  1.00 22.95 ? 466 HOH H O   1 
HETATM 3542 O  O   . HOH U 5 .   ? 1.606   17.874 73.437  1.00 14.57 ? 467 HOH H O   1 
HETATM 3543 O  O   . HOH U 5 .   ? 3.601   39.512 81.239  1.00 13.08 ? 468 HOH H O   1 
HETATM 3544 O  O   . HOH U 5 .   ? 17.967  53.606 103.358 1.00 45.35 ? 469 HOH H O   1 
HETATM 3545 O  O   . HOH U 5 .   ? -6.528  26.622 83.420  1.00 25.96 ? 470 HOH H O   1 
HETATM 3546 O  O   . HOH U 5 .   ? 30.732  45.404 91.662  1.00 27.14 ? 471 HOH H O   1 
HETATM 3547 O  O   . HOH U 5 .   ? 18.158  34.277 91.086  1.00 28.88 ? 472 HOH H O   1 
HETATM 3548 O  O   . HOH U 5 .   ? -1.305  12.136 76.331  1.00 24.26 ? 473 HOH H O   1 
HETATM 3549 O  O   . HOH U 5 .   ? 16.479  25.556 73.898  1.00 35.18 ? 474 HOH H O   1 
HETATM 3550 O  O   . HOH U 5 .   ? 27.572  41.742 101.523 1.00 28.83 ? 475 HOH H O   1 
HETATM 3551 O  O   . HOH U 5 .   ? 7.877   43.343 90.296  1.00 12.43 ? 476 HOH H O   1 
HETATM 3552 O  O   . HOH U 5 .   ? 13.945  38.414 86.484  1.00 31.30 ? 477 HOH H O   1 
HETATM 3553 O  O   . HOH U 5 .   ? 31.892  41.617 100.495 1.00 38.73 ? 478 HOH H O   1 
HETATM 3554 O  O   . HOH U 5 .   ? -1.579  7.442  71.496  1.00 47.81 ? 479 HOH H O   1 
HETATM 3555 O  O   . HOH U 5 .   ? -0.002  43.362 82.731  1.00 28.92 ? 480 HOH H O   1 
HETATM 3556 O  O   . HOH U 5 .   ? 10.766  31.230 74.844  1.00 17.72 ? 481 HOH H O   1 
HETATM 3557 O  O   . HOH U 5 .   ? 10.081  44.401 89.110  1.00 15.46 ? 482 HOH H O   1 
HETATM 3558 O  O   . HOH U 5 .   ? 38.621  54.566 108.304 0.50 17.94 ? 483 HOH H O   1 
HETATM 3559 O  O   . HOH U 5 .   ? 43.691  51.778 92.442  1.00 49.39 ? 484 HOH H O   1 
HETATM 3560 O  O   . HOH U 5 .   ? -8.176  36.266 92.170  1.00 9.47  ? 485 HOH H O   1 
HETATM 3561 O  O   . HOH U 5 .   ? 6.781   10.871 83.687  1.00 37.11 ? 486 HOH H O   1 
HETATM 3562 O  O   . HOH U 5 .   ? 2.708   34.950 96.799  1.00 19.92 ? 487 HOH H O   1 
HETATM 3563 O  O   . HOH U 5 .   ? 0.749   49.484 88.760  1.00 20.87 ? 488 HOH H O   1 
HETATM 3564 O  O   . HOH U 5 .   ? 19.573  27.303 88.246  1.00 35.62 ? 489 HOH H O   1 
HETATM 3565 O  O   . HOH U 5 .   ? 8.270   26.735 102.222 1.00 11.72 ? 490 HOH H O   1 
HETATM 3566 O  O   . HOH U 5 .   ? 1.821   45.078 83.992  1.00 27.46 ? 491 HOH H O   1 
HETATM 3567 O  O   . HOH U 5 .   ? 5.805   32.272 99.761  1.00 13.91 ? 492 HOH H O   1 
HETATM 3568 O  O   . HOH U 5 .   ? 16.673  10.451 87.914  1.00 24.54 ? 493 HOH H O   1 
HETATM 3569 O  O   . HOH U 5 .   ? -5.493  32.359 83.333  1.00 17.36 ? 494 HOH H O   1 
HETATM 3570 O  O   . HOH U 5 .   ? 5.516   38.790 102.207 1.00 32.97 ? 495 HOH H O   1 
HETATM 3571 O  O   . HOH U 5 .   ? -6.281  26.464 86.619  1.00 14.24 ? 496 HOH H O   1 
HETATM 3572 O  O   . HOH U 5 .   ? 25.987  43.837 90.753  1.00 52.06 ? 497 HOH H O   1 
HETATM 3573 O  O   . HOH U 5 .   ? 10.076  11.105 80.259  1.00 28.64 ? 498 HOH H O   1 
HETATM 3574 O  O   . HOH U 5 .   ? -1.436  45.940 96.140  1.00 35.07 ? 499 HOH H O   1 
HETATM 3575 O  O   . HOH U 5 .   ? 1.834   57.319 90.045  1.00 41.36 ? 500 HOH H O   1 
HETATM 3576 O  O   . HOH U 5 .   ? 4.940   29.547 72.530  1.00 17.46 ? 501 HOH H O   1 
HETATM 3577 O  O   . HOH U 5 .   ? 11.962  36.419 106.638 1.00 58.32 ? 502 HOH H O   1 
HETATM 3578 O  O   . HOH U 5 .   ? 7.925   51.891 83.549  1.00 34.55 ? 503 HOH H O   1 
HETATM 3579 O  O   . HOH U 5 .   ? 7.373   34.251 75.408  1.00 14.04 ? 504 HOH H O   1 
HETATM 3580 O  O   . HOH U 5 .   ? -6.168  47.922 89.793  1.00 31.09 ? 505 HOH H O   1 
HETATM 3581 O  O   . HOH U 5 .   ? 11.560  47.121 104.867 1.00 45.68 ? 506 HOH H O   1 
HETATM 3582 O  O   . HOH U 5 .   ? 15.153  44.820 104.654 1.00 36.92 ? 507 HOH H O   1 
HETATM 3583 O  O   . HOH U 5 .   ? 5.545   42.157 82.099  1.00 44.13 ? 508 HOH H O   1 
HETATM 3584 O  O   . HOH U 5 .   ? 14.429  12.063 80.225  1.00 22.93 ? 509 HOH H O   1 
HETATM 3585 O  O   . HOH U 5 .   ? 2.599   23.886 72.763  1.00 23.37 ? 510 HOH H O   1 
HETATM 3586 O  O   . HOH U 5 .   ? 4.919   50.068 98.405  1.00 37.04 ? 511 HOH H O   1 
HETATM 3587 O  O   . HOH U 5 .   ? 12.142  34.000 78.741  1.00 17.71 ? 512 HOH H O   1 
HETATM 3588 O  O   . HOH U 5 .   ? 16.555  46.279 88.125  1.00 25.50 ? 513 HOH H O   1 
HETATM 3589 O  O   . HOH U 5 .   ? 1.407   11.058 77.801  1.00 38.60 ? 514 HOH H O   1 
HETATM 3590 O  O   . HOH U 5 .   ? 19.078  42.885 92.791  1.00 36.79 ? 515 HOH H O   1 
HETATM 3591 O  O   . HOH U 5 .   ? 18.640  32.306 83.960  1.00 26.61 ? 516 HOH H O   1 
HETATM 3592 O  O   . HOH U 5 .   ? 8.703   32.690 71.427  1.00 34.18 ? 517 HOH H O   1 
HETATM 3593 O  O   . HOH U 5 .   ? 12.432  34.515 101.635 1.00 38.46 ? 518 HOH H O   1 
HETATM 3594 O  O   . HOH U 5 .   ? 12.505  59.442 90.414  1.00 32.97 ? 519 HOH H O   1 
HETATM 3595 O  O   . HOH U 5 .   ? 17.606  29.010 77.635  1.00 19.79 ? 520 HOH H O   1 
HETATM 3596 O  O   . HOH U 5 .   ? 16.838  44.197 98.353  1.00 35.79 ? 521 HOH H O   1 
HETATM 3597 O  O   . HOH U 5 .   ? 30.754  62.577 95.477  1.00 35.26 ? 522 HOH H O   1 
HETATM 3598 O  O   . HOH U 5 .   ? 12.424  21.107 70.982  1.00 33.26 ? 523 HOH H O   1 
HETATM 3599 O  O   . HOH U 5 .   ? 20.045  44.531 97.785  1.00 26.72 ? 524 HOH H O   1 
HETATM 3600 O  O   . HOH U 5 .   ? 8.707   21.244 91.656  1.00 17.65 ? 525 HOH H O   1 
HETATM 3601 O  O   . HOH U 5 .   ? 14.809  20.826 90.306  1.00 9.72  ? 526 HOH H O   1 
HETATM 3602 O  O   . HOH U 5 .   ? 18.674  55.357 82.097  1.00 73.01 ? 527 HOH H O   1 
HETATM 3603 O  O   . HOH U 5 .   ? 10.773  36.693 97.295  1.00 21.20 ? 528 HOH H O   1 
HETATM 3604 O  O   . HOH U 5 .   ? -8.287  45.645 87.781  1.00 32.50 ? 529 HOH H O   1 
HETATM 3605 O  O   . HOH U 5 .   ? 39.686  52.265 87.575  1.00 50.40 ? 530 HOH H O   1 
HETATM 3606 O  O   . HOH U 5 .   ? 9.776   18.006 71.784  1.00 41.35 ? 531 HOH H O   1 
HETATM 3607 O  O   . HOH U 5 .   ? -10.041 26.530 94.035  1.00 11.25 ? 532 HOH H O   1 
HETATM 3608 O  O   . HOH U 5 .   ? 5.212   44.107 84.300  1.00 21.48 ? 533 HOH H O   1 
HETATM 3609 O  O   . HOH U 5 .   ? 20.461  45.177 95.102  1.00 42.72 ? 534 HOH H O   1 
HETATM 3610 O  O   . HOH U 5 .   ? 13.606  58.949 93.252  1.00 29.35 ? 535 HOH H O   1 
HETATM 3611 O  O   . HOH U 5 .   ? -5.929  20.586 86.171  1.00 31.78 ? 536 HOH H O   1 
HETATM 3612 O  O   . HOH U 5 .   ? 15.355  60.959 97.167  1.00 25.90 ? 537 HOH H O   1 
HETATM 3613 O  O   . HOH U 5 .   ? 22.839  13.689 88.340  1.00 22.43 ? 538 HOH H O   1 
HETATM 3614 O  O   . HOH U 5 .   ? 20.695  27.152 85.031  1.00 22.40 ? 539 HOH H O   1 
HETATM 3615 O  O   . HOH U 5 .   ? 24.273  21.386 78.877  1.00 21.02 ? 540 HOH H O   1 
HETATM 3616 O  O   . HOH U 5 .   ? 24.191  47.739 88.228  1.00 31.50 ? 541 HOH H O   1 
HETATM 3617 O  O   . HOH U 5 .   ? 16.007  55.360 103.559 1.00 25.90 ? 542 HOH H O   1 
HETATM 3618 O  O   . HOH U 5 .   ? 24.370  58.623 85.265  1.00 37.97 ? 543 HOH H O   1 
HETATM 3619 O  O   . HOH U 5 .   ? -7.099  32.973 95.754  1.00 16.70 ? 544 HOH H O   1 
HETATM 3620 O  O   . HOH U 5 .   ? 26.816  42.588 98.865  1.00 28.20 ? 545 HOH H O   1 
HETATM 3621 O  O   . HOH U 5 .   ? 14.852  36.486 91.190  1.00 36.73 ? 546 HOH H O   1 
HETATM 3622 O  O   . HOH U 5 .   ? 6.986   15.042 75.451  1.00 28.79 ? 547 HOH H O   1 
HETATM 3623 O  O   . HOH U 5 .   ? 4.339   21.401 73.539  1.00 14.80 ? 548 HOH H O   1 
HETATM 3624 O  O   . HOH U 5 .   ? 2.166   23.915 97.412  1.00 20.66 ? 549 HOH H O   1 
HETATM 3625 O  O   . HOH U 5 .   ? 1.881   29.445 100.884 1.00 43.19 ? 550 HOH H O   1 
HETATM 3626 O  O   . HOH U 5 .   ? 2.618   55.860 92.091  1.00 26.18 ? 551 HOH H O   1 
HETATM 3627 O  O   . HOH U 5 .   ? -2.722  20.272 93.534  1.00 22.72 ? 552 HOH H O   1 
HETATM 3628 O  O   . HOH U 5 .   ? 18.994  30.058 87.103  1.00 51.71 ? 553 HOH H O   1 
HETATM 3629 O  O   . HOH U 5 .   ? 34.123  40.837 99.358  1.00 47.71 ? 554 HOH H O   1 
HETATM 3630 O  O   . HOH U 5 .   ? 12.155  36.614 99.838  1.00 30.08 ? 555 HOH H O   1 
HETATM 3631 O  O   . HOH U 5 .   ? 37.695  43.526 93.835  1.00 31.56 ? 556 HOH H O   1 
HETATM 3632 O  O   . HOH U 5 .   ? 25.208  23.606 83.218  1.00 38.85 ? 557 HOH H O   1 
HETATM 3633 O  O   . HOH U 5 .   ? 14.303  27.564 74.896  1.00 25.29 ? 558 HOH H O   1 
HETATM 3634 O  O   . HOH U 5 .   ? -8.152  30.771 92.083  1.00 29.40 ? 559 HOH H O   1 
HETATM 3635 O  O   . HOH U 5 .   ? 20.192  60.685 91.202  1.00 34.94 ? 560 HOH H O   1 
HETATM 3636 O  O   . HOH U 5 .   ? 7.386   43.132 95.632  1.00 26.57 ? 561 HOH H O   1 
HETATM 3637 O  O   . HOH U 5 .   ? 18.976  28.571 85.093  1.00 44.39 ? 562 HOH H O   1 
HETATM 3638 O  O   . HOH U 5 .   ? 19.408  46.926 81.626  1.00 44.08 ? 563 HOH H O   1 
HETATM 3639 O  O   . HOH U 5 .   ? 35.365  57.496 108.019 1.00 34.74 ? 564 HOH H O   1 
HETATM 3640 O  O   . HOH U 5 .   ? 6.069   30.612 103.845 1.00 28.09 ? 565 HOH H O   1 
HETATM 3641 O  O   . HOH U 5 .   ? 38.304  49.069 90.640  1.00 38.22 ? 566 HOH H O   1 
HETATM 3642 O  O   . HOH U 5 .   ? -5.417  37.462 100.506 1.00 39.64 ? 567 HOH H O   1 
HETATM 3643 O  O   . HOH U 5 .   ? 18.915  22.956 74.564  0.50 18.65 ? 568 HOH H O   1 
HETATM 3644 O  O   . HOH U 5 .   ? 8.694   45.517 94.802  1.00 21.69 ? 569 HOH H O   1 
HETATM 3645 O  O   . HOH U 5 .   ? 40.538  55.881 88.533  1.00 55.29 ? 570 HOH H O   1 
HETATM 3646 O  O   . HOH U 5 .   ? 40.478  49.582 95.309  1.00 39.06 ? 571 HOH H O   1 
HETATM 3647 O  O   . HOH U 5 .   ? 14.739  43.392 101.130 1.00 47.58 ? 572 HOH H O   1 
HETATM 3648 O  O   . HOH U 5 .   ? 1.207   10.476 84.213  1.00 39.95 ? 573 HOH H O   1 
HETATM 3649 O  O   . HOH U 5 .   ? 10.379  40.566 81.176  1.00 38.47 ? 574 HOH H O   1 
HETATM 3650 O  O   . HOH U 5 .   ? -6.923  22.594 95.838  1.00 36.82 ? 575 HOH H O   1 
HETATM 3651 O  O   . HOH U 5 .   ? 4.572   24.238 69.263  1.00 19.38 ? 576 HOH H O   1 
HETATM 3652 O  O   . HOH U 5 .   ? 8.913   57.520 104.218 1.00 41.49 ? 577 HOH H O   1 
HETATM 3653 O  O   . HOH U 5 .   ? -4.000  27.009 98.096  1.00 24.45 ? 578 HOH H O   1 
HETATM 3654 O  O   . HOH U 5 .   ? 14.372  25.615 71.399  1.00 41.14 ? 579 HOH H O   1 
HETATM 3655 O  O   . HOH U 5 .   ? 41.083  61.674 111.123 1.00 48.40 ? 580 HOH H O   1 
HETATM 3656 O  O   . HOH U 5 .   ? -1.804  48.680 95.429  1.00 31.36 ? 581 HOH H O   1 
HETATM 3657 O  O   . HOH U 5 .   ? -4.727  17.104 84.414  1.00 26.67 ? 582 HOH H O   1 
HETATM 3658 O  O   . HOH U 5 .   ? 12.687  40.262 88.858  1.00 27.62 ? 583 HOH H O   1 
HETATM 3659 O  O   . HOH U 5 .   ? 2.000   49.128 96.932  1.00 65.75 ? 584 HOH H O   1 
HETATM 3660 O  O   . HOH U 5 .   ? 11.005  26.260 67.560  1.00 31.39 ? 585 HOH H O   1 
HETATM 3661 O  O   . HOH U 5 .   ? 28.823  41.904 97.548  1.00 47.15 ? 586 HOH H O   1 
HETATM 3662 O  O   . HOH U 5 .   ? 23.099  44.503 93.446  1.00 30.29 ? 587 HOH H O   1 
HETATM 3663 O  O   . HOH U 5 .   ? 5.457   21.984 70.762  1.00 17.78 ? 588 HOH H O   1 
HETATM 3664 O  O   . HOH U 5 .   ? 36.390  55.553 106.255 1.00 27.89 ? 589 HOH H O   1 
HETATM 3665 O  O   . HOH U 5 .   ? 36.285  54.112 88.331  1.00 41.11 ? 590 HOH H O   1 
HETATM 3666 O  O   . HOH U 5 .   ? 8.520   45.866 87.050  1.00 23.07 ? 591 HOH H O   1 
HETATM 3667 O  O   . HOH U 5 .   ? -7.324  39.041 84.783  1.00 13.78 ? 592 HOH H O   1 
HETATM 3668 O  O   . HOH U 5 .   ? 4.563   24.058 98.695  1.00 11.94 ? 593 HOH H O   1 
HETATM 3669 O  O   . HOH U 5 .   ? 30.701  42.156 95.334  1.00 39.28 ? 594 HOH H O   1 
HETATM 3670 O  O   . HOH U 5 .   ? 19.871  30.188 83.492  1.00 41.33 ? 595 HOH H O   1 
HETATM 3671 O  O   . HOH U 5 .   ? 0.891   22.846 76.888  1.00 14.95 ? 596 HOH H O   1 
HETATM 3672 O  O   . HOH U 5 .   ? 10.979  12.350 83.514  1.00 34.23 ? 597 HOH H O   1 
HETATM 3673 O  O   . HOH U 5 .   ? -8.211  35.004 94.573  1.00 15.85 ? 598 HOH H O   1 
HETATM 3674 O  O   . HOH U 5 .   ? 4.989   25.252 101.005 1.00 32.62 ? 599 HOH H O   1 
HETATM 3675 O  O   . HOH U 5 .   ? 41.739  64.947 108.144 1.00 59.04 ? 600 HOH H O   1 
HETATM 3676 O  O   . HOH U 5 .   ? 5.004   52.863 95.662  1.00 24.15 ? 601 HOH H O   1 
HETATM 3677 O  O   . HOH U 5 .   ? 5.012   10.833 80.046  1.00 45.44 ? 602 HOH H O   1 
HETATM 3678 O  O   . HOH U 5 .   ? 39.650  45.161 94.679  1.00 48.98 ? 603 HOH H O   1 
HETATM 3679 O  O   . HOH U 5 .   ? 16.931  45.171 94.917  1.00 33.41 ? 604 HOH H O   1 
HETATM 3680 O  O   . HOH U 5 .   ? 23.923  59.870 101.109 1.00 23.98 ? 605 HOH H O   1 
HETATM 3681 O  O   . HOH U 5 .   ? 16.571  38.605 85.122  1.00 39.88 ? 606 HOH H O   1 
HETATM 3682 O  O   . HOH U 5 .   ? 5.880   47.083 98.198  1.00 43.52 ? 607 HOH H O   1 
HETATM 3683 O  O   . HOH U 5 .   ? 4.420   10.745 83.718  1.00 34.17 ? 608 HOH H O   1 
HETATM 3684 O  O   . HOH U 5 .   ? 39.330  46.572 91.583  1.00 53.34 ? 609 HOH H O   1 
HETATM 3685 O  O   . HOH U 5 .   ? 15.557  20.079 74.564  1.00 57.01 ? 610 HOH H O   1 
HETATM 3686 O  O   . HOH U 5 .   ? 9.578   42.296 96.945  1.00 31.03 ? 611 HOH H O   1 
HETATM 3687 O  O   . HOH U 5 .   ? 33.471  57.428 109.528 1.00 20.60 ? 612 HOH H O   1 
HETATM 3688 O  O   . HOH U 5 .   ? 22.367  45.241 85.561  1.00 59.01 ? 613 HOH H O   1 
HETATM 3689 O  O   . HOH U 5 .   ? 5.637   31.968 71.657  1.00 22.11 ? 614 HOH H O   1 
HETATM 3690 O  O   . HOH U 5 .   ? 24.246  51.691 85.706  1.00 45.37 ? 615 HOH H O   1 
HETATM 3691 O  O   . HOH U 5 .   ? 3.574   32.425 98.037  1.00 20.52 ? 616 HOH H O   1 
HETATM 3692 O  O   . HOH U 5 .   ? -9.863  20.398 86.466  1.00 53.41 ? 617 HOH H O   1 
HETATM 3693 O  O   . HOH U 5 .   ? 7.291   16.903 72.594  1.00 45.43 ? 618 HOH H O   1 
HETATM 3694 O  O   . HOH U 5 .   ? -6.447  27.480 99.376  1.00 37.12 ? 619 HOH H O   1 
HETATM 3695 O  O   . HOH U 5 .   ? -5.195  13.595 79.155  1.00 27.44 ? 620 HOH H O   1 
HETATM 3696 O  O   . HOH U 5 .   ? -11.790 22.386 87.365  1.00 19.77 ? 621 HOH H O   1 
HETATM 3697 O  O   . HOH U 5 .   ? 20.745  27.961 89.879  1.00 27.18 ? 622 HOH H O   1 
HETATM 3698 O  O   . HOH U 5 .   ? 12.145  45.454 84.664  1.00 36.19 ? 623 HOH H O   1 
HETATM 3699 O  O   . HOH U 5 .   ? 15.161  10.740 83.932  1.00 43.29 ? 624 HOH H O   1 
HETATM 3700 O  O   . HOH U 5 .   ? 10.738  45.925 103.398 1.00 53.20 ? 625 HOH H O   1 
HETATM 3701 O  O   . HOH U 5 .   ? 2.095   20.757 75.326  1.00 17.32 ? 626 HOH H O   1 
HETATM 3702 O  O   . HOH U 5 .   ? 1.589   15.388 89.702  1.00 28.79 ? 627 HOH H O   1 
HETATM 3703 O  O   . HOH U 5 .   ? -7.400  45.570 85.026  1.00 46.43 ? 628 HOH H O   1 
HETATM 3704 O  O   . HOH U 5 .   ? 4.470   27.834 101.291 1.00 52.97 ? 629 HOH H O   1 
HETATM 3705 O  O   . HOH U 5 .   ? 3.933   12.728 78.462  1.00 25.44 ? 630 HOH H O   1 
HETATM 3706 O  O   . HOH U 5 .   ? 18.345  51.468 103.505 1.00 45.15 ? 631 HOH H O   1 
HETATM 3707 O  O   . HOH U 5 .   ? -0.313  39.074 80.197  1.00 46.41 ? 632 HOH H O   1 
HETATM 3708 O  O   . HOH U 5 .   ? -8.483  27.701 84.314  1.00 45.09 ? 633 HOH H O   1 
HETATM 3709 O  O   . HOH U 5 .   ? 12.678  18.251 71.657  1.00 36.76 ? 634 HOH H O   1 
HETATM 3710 O  O   . HOH U 5 .   ? 10.392  31.881 105.539 1.00 46.51 ? 635 HOH H O   1 
HETATM 3711 O  O   . HOH U 5 .   ? 1.012   52.692 87.013  0.50 41.47 ? 636 HOH H O   1 
HETATM 3712 O  O   . HOH U 5 .   ? -4.120  18.247 93.341  1.00 41.71 ? 637 HOH H O   1 
HETATM 3713 O  O   . HOH U 5 .   ? 10.983  42.269 87.901  1.00 35.47 ? 638 HOH H O   1 
HETATM 3714 O  O   . HOH U 5 .   ? -6.509  41.136 83.195  1.00 34.95 ? 639 HOH H O   1 
HETATM 3715 O  O   . HOH U 5 .   ? 12.583  61.177 94.755  1.00 50.45 ? 640 HOH H O   1 
HETATM 3716 O  O   . HOH U 5 .   ? 12.944  11.451 82.266  1.00 55.99 ? 641 HOH H O   1 
HETATM 3717 O  O   . HOH U 5 .   ? 28.629  63.032 100.400 1.00 51.26 ? 642 HOH H O   1 
HETATM 3718 O  O   . HOH U 5 .   ? 8.238   19.309 70.008  1.00 40.59 ? 643 HOH H O   1 
HETATM 3719 O  O   . HOH U 5 .   ? 28.425  49.519 84.335  1.00 63.83 ? 644 HOH H O   1 
HETATM 3720 O  O   . HOH U 5 .   ? 5.075   15.814 73.920  1.00 30.11 ? 645 HOH H O   1 
HETATM 3721 O  O   . HOH U 5 .   ? 5.204   33.914 73.686  1.00 13.43 ? 646 HOH H O   1 
HETATM 3722 O  O   . HOH U 5 .   ? 1.658   36.464 100.485 1.00 33.40 ? 647 HOH H O   1 
HETATM 3723 O  O   . HOH U 5 .   ? -6.125  52.009 92.827  1.00 43.26 ? 648 HOH H O   1 
HETATM 3724 O  O   . HOH U 5 .   ? 12.382  38.033 76.664  1.00 50.89 ? 649 HOH H O   1 
HETATM 3725 O  O   . HOH U 5 .   ? 18.852  34.914 83.352  1.00 34.31 ? 650 HOH H O   1 
HETATM 3726 O  O   . HOH U 5 .   ? 13.430  39.306 102.331 1.00 55.34 ? 651 HOH H O   1 
HETATM 3727 O  O   . HOH U 5 .   ? 10.482  41.966 85.221  1.00 39.26 ? 652 HOH H O   1 
HETATM 3728 O  O   . HOH U 5 .   ? 8.620   14.797 72.801  1.00 50.86 ? 653 HOH H O   1 
HETATM 3729 O  O   . HOH U 5 .   ? 17.698  37.218 81.763  1.00 46.95 ? 654 HOH H O   1 
HETATM 3730 O  O   . HOH U 5 .   ? 34.723  52.881 86.624  1.00 42.51 ? 655 HOH H O   1 
HETATM 3731 O  O   . HOH U 5 .   ? -3.738  12.249 77.197  1.00 34.17 ? 656 HOH H O   1 
HETATM 3732 O  O   . HOH U 5 .   ? 16.462  28.830 74.790  1.00 42.25 ? 657 HOH H O   1 
HETATM 3733 O  O   . HOH U 5 .   ? 40.195  49.885 92.553  1.00 53.68 ? 658 HOH H O   1 
HETATM 3734 O  O   . HOH U 5 .   ? -8.759  28.752 82.085  1.00 39.29 ? 659 HOH H O   1 
HETATM 3735 O  O   . HOH U 5 .   ? 14.861  17.523 73.566  1.00 43.63 ? 660 HOH H O   1 
HETATM 3736 O  O   . HOH U 5 .   ? 5.423   44.328 97.270  1.00 42.99 ? 661 HOH H O   1 
HETATM 3737 O  O   . HOH U 5 .   ? 4.889   13.246 88.438  1.00 54.48 ? 662 HOH H O   1 
HETATM 3738 O  O   . HOH U 5 .   ? 1.546   48.567 86.214  1.00 30.49 ? 663 HOH H O   1 
HETATM 3739 O  O   . HOH U 5 .   ? 40.050  47.183 96.612  1.00 35.97 ? 664 HOH H O   1 
HETATM 3740 O  O   . HOH U 5 .   ? 35.557  58.679 101.154 1.00 50.49 ? 665 HOH H O   1 
HETATM 3741 O  O   . HOH U 5 .   ? 29.152  44.059 93.647  1.00 37.56 ? 666 HOH H O   1 
HETATM 3742 O  O   . HOH U 5 .   ? 14.098  35.713 77.613  1.00 41.48 ? 667 HOH H O   1 
HETATM 3743 O  O   . HOH U 5 .   ? -10.433 24.106 85.801  1.00 42.21 ? 668 HOH H O   1 
HETATM 3744 O  O   . HOH U 5 .   ? -0.620  38.218 101.238 1.00 68.86 ? 669 HOH H O   1 
HETATM 3745 O  O   . HOH U 5 .   ? 6.632   28.020 104.001 1.00 27.48 ? 670 HOH H O   1 
HETATM 3746 O  O   . HOH U 5 .   ? 8.948   60.218 99.310  1.00 50.48 ? 671 HOH H O   1 
HETATM 3747 O  O   . HOH U 5 .   ? 5.329   48.476 84.639  1.00 43.59 ? 672 HOH H O   1 
HETATM 3748 O  O   . HOH U 5 .   ? 11.283  33.351 76.335  1.00 30.46 ? 673 HOH H O   1 
HETATM 3749 O  O   . HOH U 5 .   ? 5.650   12.724 76.030  1.00 29.88 ? 674 HOH H O   1 
HETATM 3750 O  O   . HOH U 5 .   ? 1.607   43.306 99.142  1.00 53.51 ? 675 HOH H O   1 
HETATM 3751 O  O   . HOH U 5 .   ? 5.270   56.709 92.956  1.00 27.66 ? 676 HOH H O   1 
HETATM 3752 O  O   . HOH U 5 .   ? 3.675   46.557 96.741  1.00 49.44 ? 677 HOH H O   1 
HETATM 3753 O  O   . HOH U 5 .   ? 26.128  21.158 80.750  1.00 48.46 ? 678 HOH H O   1 
HETATM 3754 O  O   . HOH U 5 .   ? 12.655  31.160 72.943  1.00 39.59 ? 679 HOH H O   1 
HETATM 3755 O  O   . HOH U 5 .   ? 3.586   43.952 82.164  1.00 38.26 ? 680 HOH H O   1 
HETATM 3756 O  O   . HOH U 5 .   ? 12.705  40.277 99.196  1.00 53.73 ? 681 HOH H O   1 
HETATM 3757 O  O   . HOH U 5 .   ? 9.341   11.561 76.654  1.00 54.83 ? 682 HOH H O   1 
HETATM 3758 O  O   . HOH U 5 .   ? 9.538   44.942 84.728  1.00 42.94 ? 683 HOH H O   1 
HETATM 3759 O  O   . HOH U 5 .   ? 11.075  35.499 74.861  1.00 37.72 ? 684 HOH H O   1 
HETATM 3760 O  O   . HOH U 5 .   ? 13.739  44.061 86.830  1.00 37.58 ? 685 HOH H O   1 
HETATM 3761 O  O   . HOH U 5 .   ? 29.642  43.526 89.912  1.00 43.45 ? 686 HOH H O   1 
HETATM 3762 O  O   . HOH U 5 .   ? 5.448   58.137 95.222  1.00 44.13 ? 687 HOH H O   1 
HETATM 3763 O  O   . HOH U 5 .   ? 3.752   40.411 99.934  1.00 47.69 ? 688 HOH H O   1 
HETATM 3764 O  O   . HOH U 5 .   ? 13.943  40.294 91.665  1.00 38.41 ? 689 HOH H O   1 
HETATM 3765 O  O   . HOH U 5 .   ? 11.226  39.414 97.066  1.00 39.32 ? 690 HOH H O   1 
HETATM 3766 O  O   . HOH U 5 .   ? 2.461   41.975 80.793  1.00 23.37 ? 691 HOH H O   1 
HETATM 3767 O  O   . HOH U 5 .   ? 30.979  39.812 94.115  1.00 52.79 ? 692 HOH H O   1 
HETATM 3768 O  O   . HOH U 5 .   ? -8.537  26.472 81.012  1.00 16.34 ? 693 HOH H O   1 
HETATM 3769 O  O   . HOH U 5 .   ? 6.191   58.423 91.143  1.00 29.17 ? 694 HOH H O   1 
HETATM 3770 O  O   . HOH U 5 .   ? 12.896  40.228 80.493  1.00 56.12 ? 695 HOH H O   1 
HETATM 3771 O  O   . HOH U 5 .   ? -6.498  22.008 83.865  1.00 22.83 ? 696 HOH H O   1 
HETATM 3772 O  O   . HOH U 5 .   ? 1.486   12.944 88.801  1.00 52.63 ? 697 HOH H O   1 
HETATM 3773 O  O   . HOH U 5 .   ? -6.479  48.998 92.404  1.00 45.27 ? 698 HOH H O   1 
HETATM 3774 O  O   . HOH U 5 .   ? 3.195   36.617 102.703 1.00 61.44 ? 699 HOH H O   1 
HETATM 3775 O  O   . HOH U 5 .   ? 3.996   32.354 101.842 1.00 36.34 ? 700 HOH H O   1 
HETATM 3776 O  O   . HOH U 5 .   ? 4.668   42.550 99.265  1.00 40.82 ? 701 HOH H O   1 
HETATM 3777 O  O   . HOH U 5 .   ? 1.659   51.210 85.271  1.00 39.82 ? 702 HOH H O   1 
HETATM 3778 O  O   . HOH U 5 .   ? 15.854  15.745 73.145  1.00 40.86 ? 703 HOH H O   1 
HETATM 3779 O  O   . HOH U 5 .   ? 16.220  42.402 105.241 1.00 52.89 ? 704 HOH H O   1 
HETATM 3780 O  O   . HOH U 5 .   ? -12.016 40.297 85.013  1.00 37.64 ? 705 HOH H O   1 
HETATM 3781 O  O   . HOH U 5 .   ? 39.928  46.141 85.906  1.00 53.63 ? 706 HOH H O   1 
HETATM 3782 O  O   . HOH U 5 .   ? -1.117  45.683 100.285 1.00 80.39 ? 707 HOH H O   1 
HETATM 3783 O  O   . HOH V 5 .   ? 23.207  35.195 98.347  1.00 30.75 ? 401 HOH L O   1 
HETATM 3784 O  O   . HOH V 5 .   ? 31.563  25.445 98.862  1.00 39.37 ? 402 HOH L O   1 
HETATM 3785 O  O   . HOH V 5 .   ? 27.697  23.725 95.192  1.00 41.76 ? 403 HOH L O   1 
HETATM 3786 O  O   . HOH V 5 .   ? 20.566  51.842 105.649 1.00 36.57 ? 404 HOH L O   1 
HETATM 3787 O  O   . HOH V 5 .   ? 30.228  14.746 94.765  1.00 36.16 ? 405 HOH L O   1 
HETATM 3788 O  O   . HOH V 5 .   ? 3.061   9.325  98.994  1.00 43.55 ? 406 HOH L O   1 
HETATM 3789 O  O   . HOH V 5 .   ? 11.268  4.574  96.010  1.00 43.60 ? 407 HOH L O   1 
HETATM 3790 O  O   . HOH V 5 .   ? 22.990  32.052 114.827 1.00 35.64 ? 408 HOH L O   1 
HETATM 3791 O  O   . HOH V 5 .   ? 5.237   8.777  97.483  1.00 37.57 ? 409 HOH L O   1 
HETATM 3792 O  O   . HOH V 5 .   ? 35.900  21.173 100.311 1.00 40.35 ? 410 HOH L O   1 
HETATM 3793 O  O   . HOH V 5 .   ? 35.221  40.396 106.202 1.00 42.01 ? 411 HOH L O   1 
HETATM 3794 O  O   . HOH V 5 .   ? 20.152  39.923 104.824 1.00 50.63 ? 412 HOH L O   1 
HETATM 3795 O  O   . HOH V 5 .   ? 19.565  48.474 116.763 1.00 33.94 ? 413 HOH L O   1 
HETATM 3796 O  O   . HOH V 5 .   ? 27.108  6.246  102.039 1.00 26.16 ? 414 HOH L O   1 
HETATM 3797 O  O   . HOH V 5 .   ? 24.549  33.748 112.840 1.00 28.16 ? 415 HOH L O   1 
HETATM 3798 O  O   . HOH V 5 .   ? 2.087   22.688 102.983 1.00 43.46 ? 416 HOH L O   1 
HETATM 3799 O  O   . HOH V 5 .   ? 28.146  35.600 101.103 1.00 28.80 ? 417 HOH L O   1 
HETATM 3800 O  O   . HOH V 5 .   ? 18.858  51.417 113.278 1.00 33.26 ? 418 HOH L O   1 
HETATM 3801 O  O   . HOH V 5 .   ? 34.971  23.438 99.275  1.00 45.29 ? 419 HOH L O   1 
HETATM 3802 O  O   . HOH V 5 .   ? 28.271  40.383 105.116 1.00 20.84 ? 420 HOH L O   1 
HETATM 3803 O  O   . HOH V 5 .   ? 25.369  31.905 113.563 1.00 26.46 ? 421 HOH L O   1 
HETATM 3804 O  O   . HOH V 5 .   ? 22.023  34.548 109.740 1.00 24.95 ? 422 HOH L O   1 
HETATM 3805 O  O   . HOH V 5 .   ? 15.353  56.031 107.951 1.00 17.96 ? 423 HOH L O   1 
HETATM 3806 O  O   . HOH V 5 .   ? 3.314   15.322 91.302  1.00 30.29 ? 424 HOH L O   1 
HETATM 3807 O  O   . HOH V 5 .   ? 11.900  27.571 109.415 1.00 41.22 ? 425 HOH L O   1 
HETATM 3808 O  O   . HOH V 5 .   ? 30.321  44.239 125.275 1.00 22.53 ? 426 HOH L O   1 
HETATM 3809 O  O   . HOH V 5 .   ? 32.987  14.552 102.274 1.00 25.62 ? 427 HOH L O   1 
HETATM 3810 O  O   . HOH V 5 .   ? 1.280   8.193  101.273 1.00 38.57 ? 428 HOH L O   1 
HETATM 3811 O  O   . HOH V 5 .   ? 16.003  6.679  95.827  1.00 24.54 ? 429 HOH L O   1 
HETATM 3812 O  O   . HOH V 5 .   ? 16.498  58.032 104.210 1.00 24.73 ? 430 HOH L O   1 
HETATM 3813 O  O   . HOH V 5 .   ? 23.952  60.352 125.475 1.00 44.87 ? 431 HOH L O   1 
HETATM 3814 O  O   . HOH V 5 .   ? 33.798  65.536 114.749 1.00 44.06 ? 432 HOH L O   1 
HETATM 3815 O  O   . HOH V 5 .   ? 20.191  45.408 115.141 1.00 53.45 ? 433 HOH L O   1 
HETATM 3816 O  O   . HOH V 5 .   ? 25.587  54.838 126.450 1.00 45.22 ? 434 HOH L O   1 
HETATM 3817 O  O   . HOH V 5 .   ? 24.962  12.023 91.241  1.00 29.26 ? 435 HOH L O   1 
HETATM 3818 O  O   . HOH V 5 .   ? 23.283  10.993 99.657  1.00 13.39 ? 436 HOH L O   1 
HETATM 3819 O  O   . HOH V 5 .   ? -1.524  14.204 105.158 1.00 29.44 ? 437 HOH L O   1 
HETATM 3820 O  O   . HOH V 5 .   ? 24.613  20.608 85.976  1.00 34.29 ? 438 HOH L O   1 
HETATM 3821 O  O   . HOH V 5 .   ? 17.149  6.424  98.749  1.00 24.08 ? 439 HOH L O   1 
HETATM 3822 O  O   . HOH V 5 .   ? 22.649  62.070 100.818 1.00 19.76 ? 440 HOH L O   1 
HETATM 3823 O  O   . HOH V 5 .   ? 33.288  16.555 96.741  1.00 23.36 ? 441 HOH L O   1 
HETATM 3824 O  O   . HOH V 5 .   ? 34.427  51.728 123.486 1.00 25.85 ? 442 HOH L O   1 
HETATM 3825 O  O   . HOH V 5 .   ? 15.256  54.304 105.832 1.00 25.35 ? 443 HOH L O   1 
HETATM 3826 O  O   . HOH V 5 .   ? 18.625  52.833 115.547 1.00 38.96 ? 444 HOH L O   1 
HETATM 3827 O  O   . HOH V 5 .   ? 9.660   5.672  101.648 1.00 24.35 ? 445 HOH L O   1 
HETATM 3828 O  O   . HOH V 5 .   ? 26.933  13.988 104.523 1.00 15.87 ? 446 HOH L O   1 
HETATM 3829 O  O   . HOH V 5 .   ? 15.442  64.873 115.223 1.00 59.65 ? 447 HOH L O   1 
HETATM 3830 O  O   . HOH V 5 .   ? 32.852  30.478 110.217 1.00 37.15 ? 448 HOH L O   1 
HETATM 3831 O  O   . HOH V 5 .   ? 15.504  45.505 107.155 1.00 43.52 ? 449 HOH L O   1 
HETATM 3832 O  O   . HOH V 5 .   ? 34.393  63.222 113.049 1.00 32.86 ? 450 HOH L O   1 
HETATM 3833 O  O   . HOH V 5 .   ? 14.659  31.001 101.853 1.00 14.40 ? 451 HOH L O   1 
HETATM 3834 O  O   . HOH V 5 .   ? 16.515  74.706 109.669 1.00 42.06 ? 452 HOH L O   1 
HETATM 3835 O  O   . HOH V 5 .   ? 20.902  50.164 103.618 1.00 23.01 ? 453 HOH L O   1 
HETATM 3836 O  O   . HOH V 5 .   ? 37.026  30.551 104.653 1.00 33.29 ? 454 HOH L O   1 
HETATM 3837 O  O   . HOH V 5 .   ? 13.688  7.287  107.762 1.00 17.07 ? 455 HOH L O   1 
HETATM 3838 O  O   . HOH V 5 .   ? 34.203  21.717 114.019 1.00 25.57 ? 456 HOH L O   1 
HETATM 3839 O  O   . HOH V 5 .   ? 37.337  36.533 116.361 1.00 11.48 ? 457 HOH L O   1 
HETATM 3840 O  O   . HOH V 5 .   ? 23.059  10.832 104.634 1.00 16.21 ? 458 HOH L O   1 
HETATM 3841 O  O   . HOH V 5 .   ? 15.232  20.536 107.732 1.00 8.03  ? 459 HOH L O   1 
HETATM 3842 O  O   . HOH V 5 .   ? 24.603  50.141 125.471 1.00 23.68 ? 460 HOH L O   1 
HETATM 3843 O  O   . HOH V 5 .   ? 18.662  16.635 114.956 1.00 10.77 ? 461 HOH L O   1 
HETATM 3844 O  O   . HOH V 5 .   ? 26.011  26.825 96.655  1.00 22.81 ? 462 HOH L O   1 
HETATM 3845 O  O   . HOH V 5 .   ? 22.315  27.425 96.165  1.00 23.17 ? 463 HOH L O   1 
HETATM 3846 O  O   . HOH V 5 .   ? 27.644  32.073 99.769  1.00 31.91 ? 464 HOH L O   1 
HETATM 3847 O  O   . HOH V 5 .   ? 30.471  37.287 124.184 1.00 36.25 ? 465 HOH L O   1 
HETATM 3848 O  O   . HOH V 5 .   ? 9.700   22.453 113.331 1.00 33.23 ? 466 HOH L O   1 
HETATM 3849 O  O   . HOH V 5 .   ? 29.863  31.968 106.402 1.00 14.41 ? 467 HOH L O   1 
HETATM 3850 O  O   . HOH V 5 .   ? 30.626  22.493 93.994  1.00 50.56 ? 468 HOH L O   1 
HETATM 3851 O  O   . HOH V 5 .   ? 24.022  51.334 121.418 1.00 16.95 ? 469 HOH L O   1 
HETATM 3852 O  O   . HOH V 5 .   ? 38.138  22.414 104.392 1.00 50.01 ? 470 HOH L O   1 
HETATM 3853 O  O   . HOH V 5 .   ? 13.599  14.088 117.676 1.00 39.91 ? 471 HOH L O   1 
HETATM 3854 O  O   . HOH V 5 .   ? 25.798  33.695 97.568  1.00 37.63 ? 472 HOH L O   1 
HETATM 3855 O  O   . HOH V 5 .   ? 21.269  12.607 105.683 1.00 8.73  ? 473 HOH L O   1 
HETATM 3856 O  O   . HOH V 5 .   ? 31.635  53.400 125.972 1.00 20.67 ? 474 HOH L O   1 
HETATM 3857 O  O   . HOH V 5 .   ? 23.315  33.033 107.828 1.00 14.84 ? 475 HOH L O   1 
HETATM 3858 O  O   . HOH V 5 .   ? 36.162  42.973 125.687 1.00 13.39 ? 476 HOH L O   1 
HETATM 3859 O  O   . HOH V 5 .   ? 20.658  52.919 103.674 1.00 22.89 ? 477 HOH L O   1 
HETATM 3860 O  O   . HOH V 5 .   ? 4.972   22.907 106.669 1.00 31.10 ? 478 HOH L O   1 
HETATM 3861 O  O   . HOH V 5 .   ? 37.869  48.190 109.595 1.00 26.60 ? 479 HOH L O   1 
HETATM 3862 O  O   . HOH V 5 .   ? 24.290  12.796 90.073  1.00 24.96 ? 480 HOH L O   1 
HETATM 3863 O  O   . HOH V 5 .   ? 26.114  41.497 120.276 1.00 18.29 ? 481 HOH L O   1 
HETATM 3864 O  O   . HOH V 5 .   ? 20.215  71.372 120.153 1.00 53.96 ? 482 HOH L O   1 
HETATM 3865 O  O   . HOH V 5 .   ? 30.800  33.775 118.703 1.00 34.99 ? 483 HOH L O   1 
HETATM 3866 O  O   . HOH V 5 .   ? 0.482   16.744 98.500  1.00 14.45 ? 484 HOH L O   1 
HETATM 3867 O  O   . HOH V 5 .   ? 27.856  61.470 102.187 1.00 33.58 ? 485 HOH L O   1 
HETATM 3868 O  O   . HOH V 5 .   ? 22.801  13.413 110.069 1.00 9.38  ? 486 HOH L O   1 
HETATM 3869 O  O   . HOH V 5 .   ? 22.606  8.345  101.621 1.00 28.83 ? 487 HOH L O   1 
HETATM 3870 O  O   . HOH V 5 .   ? 3.398   11.041 109.673 1.00 26.55 ? 488 HOH L O   1 
HETATM 3871 O  O   . HOH V 5 .   ? 35.382  25.592 113.467 1.00 25.25 ? 489 HOH L O   1 
HETATM 3872 O  O   . HOH V 5 .   ? 23.155  30.965 94.884  1.00 32.02 ? 490 HOH L O   1 
HETATM 3873 O  O   . HOH V 5 .   ? 16.992  7.112  101.365 1.00 20.55 ? 491 HOH L O   1 
HETATM 3874 O  O   . HOH V 5 .   ? 24.600  71.305 105.542 1.00 40.81 ? 492 HOH L O   1 
HETATM 3875 O  O   . HOH V 5 .   ? 21.690  38.533 107.544 1.00 26.06 ? 493 HOH L O   1 
HETATM 3876 O  O   . HOH V 5 .   ? 17.801  9.789  107.787 1.00 15.09 ? 494 HOH L O   1 
HETATM 3877 O  O   . HOH V 5 .   ? 24.071  59.953 103.799 1.00 19.26 ? 495 HOH L O   1 
HETATM 3878 O  O   . HOH V 5 .   ? 27.354  25.225 99.735  1.00 11.42 ? 496 HOH L O   1 
HETATM 3879 O  O   . HOH V 5 .   ? 30.646  39.786 102.432 1.00 35.31 ? 497 HOH L O   1 
HETATM 3880 O  O   . HOH V 5 .   ? 27.670  10.149 102.211 1.00 22.37 ? 498 HOH L O   1 
HETATM 3881 O  O   . HOH V 5 .   ? 32.938  29.004 115.752 1.00 29.29 ? 499 HOH L O   1 
HETATM 3882 O  O   . HOH V 5 .   ? 20.745  29.653 96.073  1.00 13.17 ? 500 HOH L O   1 
HETATM 3883 O  O   . HOH V 5 .   ? 6.250   3.682  104.717 1.00 46.87 ? 501 HOH L O   1 
HETATM 3884 O  O   . HOH V 5 .   ? 24.315  16.924 113.503 1.00 7.79  ? 502 HOH L O   1 
HETATM 3885 O  O   . HOH V 5 .   ? 18.001  66.177 95.603  1.00 41.04 ? 503 HOH L O   1 
HETATM 3886 O  O   . HOH V 5 .   ? 15.908  30.893 116.137 1.00 27.04 ? 504 HOH L O   1 
HETATM 3887 O  O   . HOH V 5 .   ? 35.369  17.952 111.736 1.00 16.41 ? 505 HOH L O   1 
HETATM 3888 O  O   . HOH V 5 .   ? 23.073  10.280 90.222  1.00 14.36 ? 506 HOH L O   1 
HETATM 3889 O  O   . HOH V 5 .   ? 19.955  18.944 113.990 1.00 9.83  ? 507 HOH L O   1 
HETATM 3890 O  O   . HOH V 5 .   ? 4.399   22.050 108.936 1.00 42.45 ? 508 HOH L O   1 
HETATM 3891 O  O   . HOH V 5 .   ? 18.947  33.345 113.915 1.00 65.11 ? 509 HOH L O   1 
HETATM 3892 O  O   . HOH V 5 .   ? 18.560  12.302 112.590 1.00 13.82 ? 510 HOH L O   1 
HETATM 3893 O  O   . HOH V 5 .   ? 16.363  12.684 102.207 1.00 7.25  ? 511 HOH L O   1 
HETATM 3894 O  O   . HOH V 5 .   ? 26.181  67.385 105.277 1.00 44.26 ? 512 HOH L O   1 
HETATM 3895 O  O   . HOH V 5 .   ? 21.253  29.800 92.309  1.00 21.91 ? 513 HOH L O   1 
HETATM 3896 O  O   . HOH V 5 .   ? 35.130  55.376 110.778 0.50 21.43 ? 514 HOH L O   1 
HETATM 3897 O  O   . HOH V 5 .   ? 30.677  41.023 106.432 1.00 19.77 ? 515 HOH L O   1 
HETATM 3898 O  O   . HOH V 5 .   ? 13.952  25.837 115.711 1.00 34.11 ? 516 HOH L O   1 
HETATM 3899 O  O   . HOH V 5 .   ? 15.921  56.424 115.374 1.00 23.20 ? 517 HOH L O   1 
HETATM 3900 O  O   . HOH V 5 .   ? 34.439  69.050 113.225 1.00 45.40 ? 518 HOH L O   1 
HETATM 3901 O  O   . HOH V 5 .   ? 23.342  8.910  92.682  1.00 10.53 ? 519 HOH L O   1 
HETATM 3902 O  O   . HOH V 5 .   ? 31.581  61.394 108.518 1.00 28.38 ? 520 HOH L O   1 
HETATM 3903 O  O   . HOH V 5 .   ? 24.521  63.842 119.358 1.00 24.25 ? 521 HOH L O   1 
HETATM 3904 O  O   . HOH V 5 .   ? 27.353  58.389 122.979 1.00 35.19 ? 522 HOH L O   1 
HETATM 3905 O  O   . HOH V 5 .   ? 10.103  3.316  105.609 1.00 49.92 ? 523 HOH L O   1 
HETATM 3906 O  O   . HOH V 5 .   ? 35.909  37.573 103.195 1.00 44.43 ? 524 HOH L O   1 
HETATM 3907 O  O   . HOH V 5 .   ? 8.896   29.338 105.676 1.00 26.81 ? 525 HOH L O   1 
HETATM 3908 O  O   . HOH V 5 .   ? 28.915  12.824 103.186 1.00 21.60 ? 526 HOH L O   1 
HETATM 3909 O  O   . HOH V 5 .   ? 4.391   21.211 103.496 1.00 18.11 ? 527 HOH L O   1 
HETATM 3910 O  O   . HOH V 5 .   ? 21.178  42.913 114.060 1.00 31.06 ? 528 HOH L O   1 
HETATM 3911 O  O   . HOH V 5 .   ? 19.593  51.192 106.811 1.00 23.87 ? 529 HOH L O   1 
HETATM 3912 O  O   . HOH V 5 .   ? 13.145  65.488 110.778 1.00 37.67 ? 530 HOH L O   1 
HETATM 3913 O  O   . HOH V 5 .   ? 4.246   17.104 108.658 1.00 13.57 ? 531 HOH L O   1 
HETATM 3914 O  O   . HOH V 5 .   ? 34.377  30.034 101.443 1.00 30.51 ? 532 HOH L O   1 
HETATM 3915 O  O   . HOH V 5 .   ? 27.439  15.304 92.845  1.00 16.48 ? 533 HOH L O   1 
HETATM 3916 O  O   . HOH V 5 .   ? 16.004  19.812 115.984 1.00 23.72 ? 534 HOH L O   1 
HETATM 3917 O  O   . HOH V 5 .   ? 24.509  10.884 107.041 1.00 28.14 ? 535 HOH L O   1 
HETATM 3918 O  O   . HOH V 5 .   ? 33.185  40.689 104.758 1.00 32.61 ? 536 HOH L O   1 
HETATM 3919 O  O   . HOH V 5 .   ? 13.026  53.801 113.974 1.00 33.11 ? 537 HOH L O   1 
HETATM 3920 O  O   . HOH V 5 .   ? 20.919  11.705 109.296 1.00 15.80 ? 538 HOH L O   1 
HETATM 3921 O  O   . HOH V 5 .   ? 21.532  31.392 106.685 1.00 14.19 ? 539 HOH L O   1 
HETATM 3922 O  O   . HOH V 5 .   ? 18.203  67.401 119.065 1.00 32.43 ? 540 HOH L O   1 
HETATM 3923 O  O   . HOH V 5 .   ? 34.432  12.071 99.550  1.00 54.00 ? 541 HOH L O   1 
HETATM 3924 O  O   . HOH V 5 .   ? 22.956  72.793 117.557 1.00 38.04 ? 542 HOH L O   1 
HETATM 3925 O  O   . HOH V 5 .   ? 10.418  17.748 111.617 1.00 13.72 ? 543 HOH L O   1 
HETATM 3926 O  O   . HOH V 5 .   ? 35.435  23.572 107.353 1.00 36.53 ? 544 HOH L O   1 
HETATM 3927 O  O   . HOH V 5 .   ? 34.578  56.206 117.436 1.00 31.89 ? 545 HOH L O   1 
HETATM 3928 O  O   . HOH V 5 .   ? 30.506  55.421 123.395 1.00 22.38 ? 546 HOH L O   1 
HETATM 3929 O  O   . HOH V 5 .   ? 18.601  25.986 90.163  1.00 12.66 ? 547 HOH L O   1 
HETATM 3930 O  O   . HOH V 5 .   ? 34.170  49.940 116.700 1.00 11.14 ? 548 HOH L O   1 
HETATM 3931 O  O   . HOH V 5 .   ? 11.798  30.101 104.885 1.00 32.97 ? 549 HOH L O   1 
HETATM 3932 O  O   . HOH V 5 .   ? -1.051  14.635 97.715  1.00 33.11 ? 550 HOH L O   1 
HETATM 3933 O  O   . HOH V 5 .   ? 23.796  34.699 117.570 1.00 38.18 ? 551 HOH L O   1 
HETATM 3934 O  O   . HOH V 5 .   ? 6.162   11.800 90.533  1.00 54.34 ? 552 HOH L O   1 
HETATM 3935 O  O   . HOH V 5 .   ? 14.665  48.661 110.545 1.00 28.40 ? 553 HOH L O   1 
HETATM 3936 O  O   . HOH V 5 .   ? 17.970  55.805 117.578 1.00 24.81 ? 554 HOH L O   1 
HETATM 3937 O  O   . HOH V 5 .   ? 29.952  13.852 109.832 1.00 9.03  ? 555 HOH L O   1 
HETATM 3938 O  O   . HOH V 5 .   ? 18.934  32.078 102.411 1.00 17.48 ? 556 HOH L O   1 
HETATM 3939 O  O   . HOH V 5 .   ? 12.676  28.884 106.884 1.00 29.43 ? 557 HOH L O   1 
HETATM 3940 O  O   . HOH V 5 .   ? 11.447  21.149 91.288  1.00 12.50 ? 558 HOH L O   1 
HETATM 3941 O  O   . HOH V 5 .   ? 15.126  54.986 120.607 1.00 36.52 ? 559 HOH L O   1 
HETATM 3942 O  O   . HOH V 5 .   ? 35.269  22.105 107.042 1.00 33.15 ? 560 HOH L O   1 
HETATM 3943 O  O   . HOH V 5 .   ? 22.360  71.565 99.241  1.00 43.50 ? 561 HOH L O   1 
HETATM 3944 O  O   . HOH V 5 .   ? 20.234  28.634 116.079 1.00 17.69 ? 562 HOH L O   1 
HETATM 3945 O  O   . HOH V 5 .   ? 7.700   11.625 110.865 1.00 30.18 ? 563 HOH L O   1 
HETATM 3946 O  O   . HOH V 5 .   ? 13.500  29.203 109.477 1.00 34.77 ? 564 HOH L O   1 
HETATM 3947 O  O   . HOH V 5 .   ? 17.787  61.865 124.904 1.00 47.92 ? 565 HOH L O   1 
HETATM 3948 O  O   . HOH V 5 .   ? 37.837  32.699 113.795 1.00 29.95 ? 566 HOH L O   1 
HETATM 3949 O  O   . HOH V 5 .   ? 24.514  10.355 94.687  1.00 11.13 ? 567 HOH L O   1 
HETATM 3950 O  O   . HOH V 5 .   ? 35.390  44.939 111.654 1.00 18.65 ? 568 HOH L O   1 
HETATM 3951 O  O   . HOH V 5 .   ? 5.182   9.379  111.196 1.00 36.05 ? 569 HOH L O   1 
HETATM 3952 O  O   . HOH V 5 .   ? 18.111  51.151 119.241 1.00 47.21 ? 570 HOH L O   1 
HETATM 3953 O  O   . HOH V 5 .   ? 34.018  29.854 112.044 1.00 20.91 ? 571 HOH L O   1 
HETATM 3954 O  O   . HOH V 5 .   ? 23.575  40.375 101.485 1.00 28.30 ? 572 HOH L O   1 
HETATM 3955 O  O   . HOH V 5 .   ? 25.786  73.160 107.008 1.00 42.04 ? 573 HOH L O   1 
HETATM 3956 O  O   . HOH V 5 .   ? 30.905  66.462 107.010 1.00 43.34 ? 574 HOH L O   1 
HETATM 3957 O  O   . HOH V 5 .   ? 30.847  36.701 100.706 1.00 31.56 ? 575 HOH L O   1 
HETATM 3958 O  O   . HOH V 5 .   ? 20.895  33.413 115.409 1.00 43.47 ? 576 HOH L O   1 
HETATM 3959 O  O   . HOH V 5 .   ? 34.712  43.725 103.820 1.00 44.94 ? 577 HOH L O   1 
HETATM 3960 O  O   . HOH V 5 .   ? 27.124  10.824 94.471  1.00 15.27 ? 578 HOH L O   1 
HETATM 3961 O  O   . HOH V 5 .   ? 35.846  47.278 107.919 1.00 30.80 ? 579 HOH L O   1 
HETATM 3962 O  O   . HOH V 5 .   ? 33.535  31.637 99.150  1.00 49.21 ? 580 HOH L O   1 
HETATM 3963 O  O   . HOH V 5 .   ? 36.178  71.176 109.375 1.00 53.62 ? 581 HOH L O   1 
HETATM 3964 O  O   . HOH V 5 .   ? 24.500  35.607 114.920 1.00 21.06 ? 582 HOH L O   1 
HETATM 3965 O  O   . HOH V 5 .   ? 0.697   23.998 99.540  1.00 34.96 ? 583 HOH L O   1 
HETATM 3966 O  O   . HOH V 5 .   ? 34.508  33.981 120.408 1.00 18.34 ? 584 HOH L O   1 
HETATM 3967 O  O   . HOH V 5 .   ? 13.114  61.024 117.910 1.00 35.72 ? 585 HOH L O   1 
HETATM 3968 O  O   . HOH V 5 .   ? 1.244   6.946  105.472 1.00 37.53 ? 586 HOH L O   1 
HETATM 3969 O  O   . HOH V 5 .   ? 11.329  54.525 110.678 1.00 35.76 ? 587 HOH L O   1 
HETATM 3970 O  O   . HOH V 5 .   ? 18.077  42.911 107.042 1.00 27.50 ? 588 HOH L O   1 
HETATM 3971 O  O   . HOH V 5 .   ? 23.143  35.058 105.901 1.00 20.44 ? 589 HOH L O   1 
HETATM 3972 O  O   . HOH V 5 .   ? 13.119  62.648 111.892 1.00 42.76 ? 590 HOH L O   1 
HETATM 3973 O  O   . HOH V 5 .   ? 28.229  23.521 97.635  1.00 20.55 ? 591 HOH L O   1 
HETATM 3974 O  O   . HOH V 5 .   ? 12.848  70.588 105.524 1.00 43.83 ? 592 HOH L O   1 
HETATM 3975 O  O   . HOH V 5 .   ? 28.709  67.553 106.971 1.00 37.95 ? 593 HOH L O   1 
HETATM 3976 O  O   . HOH V 5 .   ? 33.650  59.925 116.028 1.00 26.32 ? 594 HOH L O   1 
HETATM 3977 O  O   . HOH V 5 .   ? 32.244  60.112 118.759 1.00 36.77 ? 595 HOH L O   1 
HETATM 3978 O  O   . HOH V 5 .   ? 11.896  18.010 116.334 1.00 34.30 ? 596 HOH L O   1 
HETATM 3979 O  O   . HOH V 5 .   ? 5.082   5.134  100.516 1.00 44.63 ? 597 HOH L O   1 
HETATM 3980 O  O   . HOH V 5 .   ? 31.513  65.145 116.141 1.00 39.61 ? 598 HOH L O   1 
HETATM 3981 O  O   . HOH V 5 .   ? 10.912  55.134 106.504 1.00 52.53 ? 599 HOH L O   1 
HETATM 3982 O  O   . HOH V 5 .   ? -0.159  14.103 91.234  1.00 34.56 ? 600 HOH L O   1 
HETATM 3983 O  O   . HOH V 5 .   ? 34.331  31.104 109.191 1.00 41.21 ? 601 HOH L O   1 
HETATM 3984 O  O   . HOH V 5 .   ? 12.236  49.035 108.986 1.00 47.03 ? 602 HOH L O   1 
HETATM 3985 O  O   . HOH V 5 .   ? 32.184  9.595  97.396  1.00 55.02 ? 603 HOH L O   1 
HETATM 3986 O  O   . HOH V 5 .   ? 15.793  62.237 99.652  1.00 25.11 ? 604 HOH L O   1 
HETATM 3987 O  O   . HOH V 5 .   ? 35.608  54.411 115.368 1.00 27.79 ? 605 HOH L O   1 
HETATM 3988 O  O   . HOH V 5 .   ? 18.350  30.163 117.230 1.00 24.29 ? 606 HOH L O   1 
HETATM 3989 O  O   . HOH V 5 .   ? 10.099  26.668 111.364 1.00 27.29 ? 607 HOH L O   1 
HETATM 3990 O  O   . HOH V 5 .   ? 33.796  36.903 100.744 1.00 52.02 ? 608 HOH L O   1 
HETATM 3991 O  O   . HOH V 5 .   ? 22.743  19.258 113.652 1.00 9.08  ? 609 HOH L O   1 
HETATM 3992 O  O   . HOH V 5 .   ? 29.263  47.098 123.532 1.00 16.58 ? 610 HOH L O   1 
HETATM 3993 O  O   . HOH V 5 .   ? 15.105  64.978 118.625 1.00 44.57 ? 611 HOH L O   1 
HETATM 3994 O  O   . HOH V 5 .   ? 20.038  32.450 104.840 1.00 27.72 ? 612 HOH L O   1 
HETATM 3995 O  O   . HOH V 5 .   ? 13.617  53.546 117.016 1.00 45.03 ? 613 HOH L O   1 
HETATM 3996 O  O   . HOH V 5 .   ? 25.390  76.298 111.983 1.00 53.93 ? 614 HOH L O   1 
HETATM 3997 O  O   . HOH V 5 .   ? 30.459  26.584 96.630  1.00 39.47 ? 615 HOH L O   1 
HETATM 3998 O  O   . HOH V 5 .   ? 35.709  31.227 113.741 1.00 27.31 ? 616 HOH L O   1 
HETATM 3999 O  O   . HOH V 5 .   ? 20.539  32.972 91.447  1.00 35.21 ? 617 HOH L O   1 
HETATM 4000 O  O   . HOH V 5 .   ? 21.564  35.291 113.794 1.00 52.07 ? 618 HOH L O   1 
HETATM 4001 O  O   . HOH V 5 .   ? 28.151  39.180 102.337 1.00 30.95 ? 619 HOH L O   1 
HETATM 4002 O  O   . HOH V 5 .   ? 31.367  12.324 104.106 1.00 30.56 ? 620 HOH L O   1 
HETATM 4003 O  O   . HOH V 5 .   ? 20.873  12.051 87.013  0.50 21.96 ? 621 HOH L O   1 
HETATM 4004 O  O   . HOH V 5 .   ? 23.270  73.614 114.938 1.00 40.02 ? 622 HOH L O   1 
HETATM 4005 O  O   . HOH V 5 .   ? 13.544  50.064 112.316 1.00 52.76 ? 623 HOH L O   1 
HETATM 4006 O  O   . HOH V 5 .   ? 5.963   24.186 109.270 1.00 33.03 ? 624 HOH L O   1 
HETATM 4007 O  O   . HOH V 5 .   ? 35.673  12.677 95.478  1.00 61.17 ? 625 HOH L O   1 
HETATM 4008 O  O   . HOH V 5 .   ? 28.600  65.497 102.525 1.00 59.41 ? 626 HOH L O   1 
HETATM 4009 O  O   . HOH V 5 .   ? -3.795  18.488 104.106 1.00 36.77 ? 627 HOH L O   1 
HETATM 4010 O  O   . HOH V 5 .   ? 19.943  32.230 88.863  1.00 39.14 ? 628 HOH L O   1 
HETATM 4011 O  O   . HOH V 5 .   ? 13.874  28.430 115.104 1.00 44.55 ? 629 HOH L O   1 
HETATM 4012 O  O   . HOH V 5 .   ? 28.443  15.540 89.900  1.00 36.53 ? 630 HOH L O   1 
HETATM 4013 O  O   . HOH V 5 .   ? 11.809  5.459  108.440 1.00 22.63 ? 631 HOH L O   1 
HETATM 4014 O  O   . HOH V 5 .   ? 23.729  31.492 117.181 1.00 32.91 ? 632 HOH L O   1 
HETATM 4015 O  O   . HOH V 5 .   ? 1.690   8.877  108.740 1.00 42.29 ? 633 HOH L O   1 
HETATM 4016 O  O   . HOH V 5 .   ? 11.841  22.835 115.303 1.00 32.23 ? 634 HOH L O   1 
HETATM 4017 O  O   . HOH V 5 .   ? 12.587  57.012 105.321 1.00 54.21 ? 635 HOH L O   1 
HETATM 4018 O  O   . HOH V 5 .   ? 14.242  21.372 117.256 1.00 34.19 ? 636 HOH L O   1 
HETATM 4019 O  O   . HOH V 5 .   ? 8.457   18.133 113.520 1.00 28.04 ? 637 HOH L O   1 
HETATM 4020 O  O   . HOH V 5 .   ? 15.752  34.071 99.615  1.00 39.81 ? 638 HOH L O   1 
HETATM 4021 O  O   . HOH V 5 .   ? 29.235  62.668 119.910 1.00 32.35 ? 639 HOH L O   1 
HETATM 4022 O  O   . HOH V 5 .   ? 11.907  59.028 109.395 1.00 48.86 ? 640 HOH L O   1 
HETATM 4023 O  O   . HOH V 5 .   ? 12.780  56.194 109.055 1.00 27.12 ? 641 HOH L O   1 
HETATM 4024 O  O   . HOH V 5 .   ? 14.265  4.655  95.738  1.00 33.25 ? 642 HOH L O   1 
HETATM 4025 O  O   . HOH V 5 .   ? 28.252  27.406 98.149  1.00 21.51 ? 643 HOH L O   1 
HETATM 4026 O  O   . HOH V 5 .   ? 24.366  43.892 121.831 1.00 61.78 ? 644 HOH L O   1 
HETATM 4027 O  O   . HOH V 5 .   ? 29.007  55.629 126.003 1.00 43.21 ? 645 HOH L O   1 
HETATM 4028 O  O   . HOH V 5 .   ? 15.007  36.193 95.552  1.00 43.83 ? 646 HOH L O   1 
HETATM 4029 O  O   . HOH V 5 .   ? 4.297   6.502  98.310  1.00 50.04 ? 647 HOH L O   1 
HETATM 4030 O  O   . HOH V 5 .   ? 15.069  45.929 110.897 1.00 45.26 ? 648 HOH L O   1 
HETATM 4031 O  O   . HOH V 5 .   ? 9.353   16.685 115.695 1.00 44.43 ? 649 HOH L O   1 
HETATM 4032 O  O   . HOH V 5 .   ? 8.135   20.586 114.597 1.00 31.18 ? 650 HOH L O   1 
HETATM 4033 O  O   . HOH V 5 .   ? 27.227  43.837 124.527 1.00 49.29 ? 651 HOH L O   1 
HETATM 4034 O  O   . HOH V 5 .   ? 16.440  66.436 117.373 1.00 49.96 ? 652 HOH L O   1 
HETATM 4035 O  O   . HOH V 5 .   ? 25.919  14.047 89.367  1.00 29.23 ? 653 HOH L O   1 
HETATM 4036 O  O   . HOH V 5 .   ? 10.543  25.732 113.905 1.00 44.90 ? 654 HOH L O   1 
HETATM 4037 O  O   . HOH V 5 .   ? 5.481   12.916 111.346 1.00 40.64 ? 655 HOH L O   1 
HETATM 4038 O  O   . HOH V 5 .   ? 36.851  32.950 109.471 1.00 43.80 ? 656 HOH L O   1 
HETATM 4039 O  O   . HOH V 5 .   ? 25.287  29.066 94.992  1.00 39.36 ? 657 HOH L O   1 
HETATM 4040 O  O   . HOH V 5 .   ? 28.656  20.596 87.795  1.00 52.78 ? 658 HOH L O   1 
HETATM 4041 O  O   . HOH V 5 .   ? 8.535   3.301  103.396 1.00 51.00 ? 659 HOH L O   1 
HETATM 4042 O  O   . HOH V 5 .   ? 36.907  21.738 109.065 1.00 50.51 ? 660 HOH L O   1 
HETATM 4043 O  O   . HOH V 5 .   ? 25.418  68.106 121.500 1.00 51.46 ? 661 HOH L O   1 
HETATM 4044 O  O   . HOH V 5 .   ? 11.452  62.181 115.763 1.00 59.38 ? 662 HOH L O   1 
HETATM 4045 O  O   . HOH V 5 .   ? 13.430  2.934  108.224 1.00 43.49 ? 663 HOH L O   1 
HETATM 4046 O  O   . HOH V 5 .   ? 37.459  21.794 111.588 1.00 43.45 ? 664 HOH L O   1 
HETATM 4047 O  O   . HOH V 5 .   ? 20.644  35.120 105.307 1.00 36.57 ? 665 HOH L O   1 
HETATM 4048 O  O   . HOH V 5 .   ? 26.604  62.947 120.882 1.00 37.87 ? 666 HOH L O   1 
HETATM 4049 O  O   . HOH V 5 .   ? 16.473  33.327 102.389 1.00 39.93 ? 667 HOH L O   1 
HETATM 4050 O  O   . HOH V 5 .   ? 25.224  9.291  100.541 0.50 16.36 ? 668 HOH L O   1 
HETATM 4051 O  O   . HOH V 5 .   ? 4.900   15.265 110.541 1.00 27.74 ? 669 HOH L O   1 
HETATM 4052 O  O   . HOH V 5 .   ? 32.998  29.538 118.131 1.00 44.49 ? 670 HOH L O   1 
HETATM 4053 O  O   . HOH V 5 .   ? 18.259  36.604 104.318 1.00 52.96 ? 671 HOH L O   1 
HETATM 4054 O  O   . HOH V 5 .   ? 21.240  39.419 101.223 1.00 51.60 ? 672 HOH L O   1 
HETATM 4055 O  O   . HOH V 5 .   ? -2.603  16.654 106.643 1.00 44.00 ? 673 HOH L O   1 
HETATM 4056 O  O   . HOH V 5 .   ? 36.247  20.059 113.395 1.00 28.73 ? 674 HOH L O   1 
HETATM 4057 O  O   . HOH V 5 .   ? 6.931   23.706 112.870 1.00 73.04 ? 675 HOH L O   1 
HETATM 4058 O  O   . HOH V 5 .   ? 28.765  30.160 98.075  1.00 27.29 ? 676 HOH L O   1 
HETATM 4059 O  O   . HOH V 5 .   ? 1.733   17.672 109.692 1.00 28.02 ? 677 HOH L O   1 
HETATM 4060 O  O   . HOH V 5 .   ? 31.389  30.718 97.767  1.00 38.61 ? 678 HOH L O   1 
HETATM 4061 O  O   . HOH V 5 .   ? 12.175  27.320 115.825 1.00 53.67 ? 679 HOH L O   1 
HETATM 4062 O  O   . HOH V 5 .   ? 19.477  13.966 114.454 1.00 12.80 ? 680 HOH L O   1 
HETATM 4063 O  O   . HOH V 5 .   ? 6.152   16.878 112.667 1.00 31.71 ? 681 HOH L O   1 
HETATM 4064 O  O   . HOH V 5 .   ? 24.899  5.828  100.283 1.00 32.98 ? 682 HOH L O   1 
HETATM 4065 O  O   . HOH V 5 .   ? 8.314   29.294 108.601 1.00 58.78 ? 683 HOH L O   1 
HETATM 4066 O  O   . HOH V 5 .   ? 29.820  39.061 126.040 1.00 26.89 ? 684 HOH L O   1 
HETATM 4067 O  O   . HOH V 5 .   ? 36.675  29.643 102.341 1.00 45.03 ? 685 HOH L O   1 
HETATM 4068 O  O   . HOH V 5 .   ? 7.466   27.572 111.298 1.00 47.32 ? 686 HOH L O   1 
HETATM 4069 O  O   . HOH V 5 .   ? 36.673  26.979 107.727 1.00 56.92 ? 687 HOH L O   1 
HETATM 4070 O  O   . HOH V 5 .   ? 27.580  12.442 92.384  1.00 32.38 ? 688 HOH L O   1 
HETATM 4071 O  O   . HOH V 5 .   ? 27.341  13.298 90.220  1.00 39.14 ? 689 HOH L O   1 
HETATM 4072 O  O   . HOH V 5 .   ? -0.799  17.727 108.811 1.00 46.50 ? 690 HOH L O   1 
HETATM 4073 O  O   . HOH V 5 .   ? 16.736  68.325 120.858 1.00 44.76 ? 691 HOH L O   1 
HETATM 4074 O  O   . HOH V 5 .   ? 37.245  17.566 109.719 1.00 33.97 ? 692 HOH L O   1 
HETATM 4075 O  O   . HOH V 5 .   ? 36.661  28.034 111.159 1.00 89.52 ? 693 HOH L O   1 
HETATM 4076 O  O   . HOH V 5 .   ? 17.916  39.815 101.522 1.00 57.13 ? 694 HOH L O   1 
HETATM 4077 O  O   . HOH V 5 .   ? 25.712  60.310 128.949 1.00 79.09 ? 695 HOH L O   1 
HETATM 4078 O  O   . HOH V 5 .   ? 23.567  50.114 129.354 1.00 46.67 ? 696 HOH L 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   . GLU A 1   ? 0.3513 0.7458 0.4378 -0.0054 0.1668  -0.0135 1   GLU H N   
2    C  CA  . GLU A 1   ? 0.2434 0.5491 0.4755 -0.0009 0.1067  -0.0282 1   GLU H CA  
3    C  C   . GLU A 1   ? 0.2279 0.3983 0.3305 0.0231  0.0736  -0.0168 1   GLU H C   
4    O  O   . GLU A 1   ? 0.2781 0.5046 0.2989 -0.0004 0.0654  0.0479  1   GLU H O   
5    C  CB  . GLU A 1   ? 0.3355 0.5649 0.6800 -0.0810 0.0593  -0.0160 1   GLU H CB  
6    C  CG  . GLU A 1   ? 0.4949 0.5799 0.8223 -0.0781 0.0505  -0.0114 1   GLU H CG  
7    C  CD  . GLU A 1   ? 0.6834 0.6144 0.9514 -0.1340 0.0719  -0.0514 1   GLU H CD  
8    O  OE1 . GLU A 1   ? 0.9054 0.4574 0.9864 -0.1734 0.0720  -0.0875 1   GLU H OE1 
9    O  OE2 . GLU A 1   ? 0.8996 0.7384 0.9931 -0.0785 0.0886  0.0550  1   GLU H OE2 
10   N  N   . VAL A 2   ? 0.1915 0.2811 0.2952 0.0287  0.0296  -0.0061 2   VAL H N   
11   C  CA  . VAL A 2   ? 0.1761 0.2180 0.2131 0.0305  -0.0044 -0.0149 2   VAL H CA  
12   C  C   . VAL A 2   ? 0.1585 0.2057 0.1811 0.0231  -0.0180 -0.0149 2   VAL H C   
13   O  O   . VAL A 2   ? 0.1973 0.2179 0.2365 0.0172  -0.0575 -0.0474 2   VAL H O   
14   C  CB  . VAL A 2   ? 0.2578 0.1896 0.2101 0.0109  0.0045  -0.0185 2   VAL H CB  
15   C  CG1 . VAL A 2   ? 0.2906 0.2299 0.1666 -0.0100 0.0334  -0.0428 2   VAL H CG1 
16   C  CG2 . VAL A 2   ? 0.3139 0.1897 0.2559 0.0168  0.0338  -0.0008 2   VAL H CG2 
17   N  N   . GLN A 3   ? 0.1458 0.2321 0.1545 0.0210  -0.0010 -0.0021 3   GLN H N   
18   C  CA  . GLN A 3   ? 0.1766 0.2250 0.1475 0.0309  0.0109  0.0033  3   GLN H CA  
19   C  C   . GLN A 3   ? 0.1699 0.1936 0.1128 0.0290  -0.0031 0.0029  3   GLN H C   
20   O  O   . GLN A 3   ? 0.1715 0.2016 0.0830 0.0252  0.0028  -0.0143 3   GLN H O   
21   C  CB  . GLN A 3   ? 0.2329 0.2460 0.2335 0.0249  0.0478  0.0175  3   GLN H CB  
22   C  CG  . GLN A 3   ? 0.2908 0.3288 0.3447 0.0105  0.0493  0.0540  3   GLN H CG  
23   C  CD  . GLN A 3   ? 0.4315 0.4056 0.4699 -0.0455 0.1126  0.0687  3   GLN H CD  
24   O  OE1 . GLN A 3   ? 0.5289 0.4431 0.7580 -0.0697 0.0907  0.0506  3   GLN H OE1 
25   N  NE2 . GLN A 3   ? 0.5428 0.4955 0.5039 -0.0304 0.1199  0.0492  3   GLN H NE2 
26   N  N   . LEU A 4   ? 0.1567 0.1997 0.0921 0.0173  -0.0094 -0.0016 4   LEU H N   
27   C  CA  . LEU A 4   ? 0.1581 0.1656 0.0522 0.0144  -0.0115 0.0102  4   LEU H CA  
28   C  C   . LEU A 4   ? 0.1536 0.1528 0.0619 0.0047  -0.0119 0.0049  4   LEU H C   
29   O  O   . LEU A 4   ? 0.2348 0.1637 0.0693 -0.0059 -0.0044 -0.0146 4   LEU H O   
30   C  CB  . LEU A 4   ? 0.1597 0.1562 0.0399 0.0184  -0.0182 0.0115  4   LEU H CB  
31   C  CG  . LEU A 4   ? 0.1774 0.1615 0.0404 0.0041  -0.0149 0.0096  4   LEU H CG  
32   C  CD1 . LEU A 4   ? 0.1798 0.1824 0.0415 0.0135  -0.0029 0.0043  4   LEU H CD1 
33   C  CD2 . LEU A 4   ? 0.1798 0.1706 0.0374 0.0036  -0.0242 0.0151  4   LEU H CD2 
34   N  N   . VAL A 5   ? 0.1609 0.1534 0.0892 0.0126  -0.0158 0.0157  5   VAL H N   
35   C  CA  . VAL A 5   ? 0.1590 0.1557 0.1015 0.0023  -0.0119 0.0194  5   VAL H CA  
36   C  C   . VAL A 5   ? 0.1544 0.1437 0.1013 -0.0038 -0.0056 0.0103  5   VAL H C   
37   O  O   . VAL A 5   ? 0.1564 0.1387 0.0976 -0.0012 -0.0071 -0.0107 5   VAL H O   
38   C  CB  . VAL A 5   ? 0.1639 0.1916 0.1380 -0.0032 0.0045  0.0282  5   VAL H CB  
39   C  CG1 . VAL A 5   ? 0.1907 0.1983 0.1668 -0.0158 0.0184  0.0346  5   VAL H CG1 
40   C  CG2 . VAL A 5   ? 0.1684 0.2083 0.1678 -0.0126 0.0138  0.0340  5   VAL H CG2 
41   N  N   . GLU A 6   ? 0.1550 0.1343 0.0664 0.0061  -0.0179 0.0148  6   GLU H N   
42   C  CA  . GLU A 6   ? 0.1475 0.1397 0.0526 -0.0048 -0.0155 0.0068  6   GLU H CA  
43   C  C   . GLU A 6   ? 0.1506 0.1524 0.0614 0.0013  -0.0155 0.0144  6   GLU H C   
44   O  O   . GLU A 6   ? 0.1676 0.1621 0.1305 -0.0155 -0.0136 0.0252  6   GLU H O   
45   C  CB  . GLU A 6   ? 0.1521 0.1558 0.0521 -0.0049 -0.0228 0.0023  6   GLU H CB  
46   C  CG  . GLU A 6   ? 0.1572 0.1653 0.0692 -0.0015 -0.0154 0.0045  6   GLU H CG  
47   C  CD  . GLU A 6   ? 0.1598 0.1711 0.0718 0.0054  -0.0206 0.0076  6   GLU H CD  
48   O  OE1 . GLU A 6   ? 0.1646 0.1657 0.0637 0.0112  -0.0276 0.0151  6   GLU H OE1 
49   O  OE2 . GLU A 6   ? 0.1568 0.1760 0.0729 0.0158  -0.0234 -0.0003 6   GLU H OE2 
50   N  N   . SER A 7   ? 0.1424 0.1477 0.0938 -0.0028 -0.0095 -0.0002 7   SER H N   
51   C  CA  . SER A 7   ? 0.1672 0.1416 0.1025 -0.0001 -0.0124 0.0111  7   SER H CA  
52   C  C   . SER A 7   ? 0.1631 0.1347 0.0851 -0.0060 -0.0143 -0.0083 7   SER H C   
53   O  O   . SER A 7   ? 0.1633 0.1355 0.0990 0.0023  0.0069  -0.0030 7   SER H O   
54   C  CB  . SER A 7   ? 0.1973 0.1821 0.1386 -0.0092 0.0059  0.0320  7   SER H CB  
55   O  OG  . SER A 7   ? 0.2467 0.2090 0.1265 0.0005  0.0255  0.0281  7   SER H OG  
56   N  N   . GLY A 8   ? 0.1784 0.1220 0.0798 -0.0097 -0.0309 -0.0085 8   GLY H N   
57   C  CA  . GLY A 8   ? 0.1879 0.1389 0.0810 -0.0022 0.0068  -0.0095 8   GLY H CA  
58   C  C   . GLY A 8   ? 0.1915 0.1597 0.0687 0.0093  -0.0045 -0.0042 8   GLY H C   
59   O  O   . GLY A 8   ? 0.2130 0.2150 0.0881 0.0407  0.0083  0.0030  8   GLY H O   
60   N  N   . GLY A 9   ? 0.2181 0.1620 0.0599 0.0262  -0.0051 -0.0246 9   GLY H N   
61   C  CA  . GLY A 9   ? 0.2191 0.1437 0.0601 0.0183  -0.0084 -0.0184 9   GLY H CA  
62   C  C   . GLY A 9   ? 0.2371 0.1412 0.0787 0.0034  -0.0050 -0.0134 9   GLY H C   
63   O  O   . GLY A 9   ? 0.3414 0.1764 0.1237 0.0251  -0.0445 -0.0028 9   GLY H O   
64   N  N   . GLY A 10  ? 0.2214 0.1698 0.0802 0.0000  0.0139  -0.0176 11  GLY H N   
65   C  CA  . GLY A 10  ? 0.1880 0.1585 0.0858 0.0007  -0.0031 -0.0121 11  GLY H CA  
66   C  C   . GLY A 10  ? 0.1772 0.1431 0.0597 -0.0049 -0.0137 -0.0252 11  GLY H C   
67   O  O   . GLY A 10  ? 0.1882 0.1398 0.0397 0.0041  -0.0176 -0.0176 11  GLY H O   
68   N  N   . LEU A 11  ? 0.1919 0.1487 0.0636 -0.0029 0.0017  -0.0137 12  LEU H N   
69   C  CA  . LEU A 11  ? 0.1665 0.1382 0.0699 0.0049  -0.0018 0.0040  12  LEU H CA  
70   C  C   . LEU A 11  ? 0.1721 0.1580 0.0706 -0.0076 -0.0027 -0.0044 12  LEU H C   
71   O  O   . LEU A 11  ? 0.1900 0.2451 0.0756 -0.0102 -0.0033 -0.0002 12  LEU H O   
72   C  CB  . LEU A 11  ? 0.1790 0.1554 0.0922 -0.0063 -0.0088 -0.0048 12  LEU H CB  
73   C  CG  . LEU A 11  ? 0.2051 0.1536 0.1284 -0.0030 -0.0108 -0.0213 12  LEU H CG  
74   C  CD1 . LEU A 11  ? 0.2004 0.1746 0.1411 0.0078  0.0016  -0.0313 12  LEU H CD1 
75   C  CD2 . LEU A 11  ? 0.2287 0.1683 0.1909 -0.0066 0.0150  -0.0241 12  LEU H CD2 
76   N  N   . VAL A 12  ? 0.1610 0.1312 0.0666 -0.0026 -0.0062 -0.0225 13  VAL H N   
77   C  CA  . VAL A 12  ? 0.1649 0.1429 0.0624 0.0006  -0.0064 -0.0066 13  VAL H CA  
78   C  C   . VAL A 12  ? 0.1846 0.1525 0.0659 0.0156  -0.0028 -0.0107 13  VAL H C   
79   O  O   . VAL A 12  ? 0.1822 0.1648 0.0595 0.0296  -0.0053 -0.0168 13  VAL H O   
80   C  CB  . VAL A 12  ? 0.1767 0.1505 0.0653 -0.0048 -0.0147 -0.0128 13  VAL H CB  
81   C  CG1 . VAL A 12  ? 0.1807 0.1333 0.0887 -0.0006 -0.0052 -0.0118 13  VAL H CG1 
82   C  CG2 . VAL A 12  ? 0.1920 0.1873 0.1020 -0.0105 -0.0202 -0.0288 13  VAL H CG2 
83   N  N   A GLN A 13  ? 0.1771 0.1905 0.0811 0.0138  -0.0145 -0.0125 14  GLN H N   
84   N  N   B GLN A 13  ? 0.1770 0.1916 0.0846 0.0138  -0.0135 -0.0143 14  GLN H N   
85   C  CA  A GLN A 13  ? 0.1892 0.1890 0.1093 0.0272  -0.0082 -0.0050 14  GLN H CA  
86   C  CA  B GLN A 13  ? 0.1877 0.1938 0.1195 0.0258  -0.0051 -0.0097 14  GLN H CA  
87   C  C   A GLN A 13  ? 0.1799 0.1739 0.1024 0.0269  -0.0094 -0.0259 14  GLN H C   
88   C  C   B GLN A 13  ? 0.1807 0.1765 0.1056 0.0275  -0.0083 -0.0277 14  GLN H C   
89   O  O   A GLN A 13  ? 0.1828 0.1740 0.0799 0.0217  -0.0052 -0.0281 14  GLN H O   
90   O  O   B GLN A 13  ? 0.1952 0.1726 0.0846 0.0260  -0.0023 -0.0267 14  GLN H O   
91   C  CB  A GLN A 13  ? 0.2225 0.2442 0.1568 0.0529  -0.0134 0.0051  14  GLN H CB  
92   C  CB  B GLN A 13  ? 0.2196 0.2556 0.1791 0.0561  -0.0058 -0.0055 14  GLN H CB  
93   C  CG  A GLN A 13  ? 0.3020 0.2941 0.1845 0.0426  -0.0338 0.0192  14  GLN H CG  
94   C  CG  B GLN A 13  ? 0.2978 0.3266 0.2437 0.0272  -0.0146 -0.0051 14  GLN H CG  
95   C  CD  A GLN A 13  ? 0.4471 0.3702 0.1602 0.0692  -0.0403 0.0304  14  GLN H CD  
96   C  CD  B GLN A 13  ? 0.3703 0.3836 0.3545 0.0591  -0.0037 0.0360  14  GLN H CD  
97   O  OE1 A GLN A 13  ? 0.5821 0.4835 0.0693 0.0463  -0.1142 0.0828  14  GLN H OE1 
98   O  OE1 B GLN A 13  ? 0.5371 0.4954 0.4496 0.0014  0.0306  0.0644  14  GLN H OE1 
99   N  NE2 A GLN A 13  ? 0.4916 0.3170 0.2085 0.0700  -0.0679 0.0029  14  GLN H NE2 
100  N  NE2 B GLN A 13  ? 0.4050 0.4715 0.4564 0.1236  0.0019  0.0324  14  GLN H NE2 
101  N  N   . PRO A 14  ? 0.1819 0.1861 0.1038 0.0172  -0.0073 -0.0484 15  PRO H N   
102  C  CA  . PRO A 14  ? 0.1854 0.1772 0.0826 0.0158  -0.0083 -0.0557 15  PRO H CA  
103  C  C   . PRO A 14  ? 0.1810 0.1591 0.0367 0.0288  0.0086  -0.0392 15  PRO H C   
104  O  O   . PRO A 14  ? 0.1757 0.1550 0.0929 0.0224  0.0120  -0.0141 15  PRO H O   
105  C  CB  . PRO A 14  ? 0.1955 0.2351 0.0835 0.0230  0.0044  -0.0533 15  PRO H CB  
106  C  CG  . PRO A 14  ? 0.2532 0.2357 0.1382 0.0089  0.0116  -0.0821 15  PRO H CG  
107  C  CD  . PRO A 14  ? 0.1984 0.2090 0.1347 0.0183  -0.0054 -0.0707 15  PRO H CD  
108  N  N   . GLY A 15  ? 0.1715 0.1598 0.0297 0.0326  0.0032  -0.0294 16  GLY H N   
109  C  CA  . GLY A 15  ? 0.1680 0.1683 0.0512 0.0209  0.0068  -0.0371 16  GLY H CA  
110  C  C   . GLY A 15  ? 0.1565 0.1558 0.0609 0.0206  0.0157  -0.0368 16  GLY H C   
111  O  O   . GLY A 15  ? 0.1794 0.2269 0.0778 0.0252  0.0039  -0.0610 16  GLY H O   
112  N  N   . GLY A 16  ? 0.1512 0.1551 0.0244 0.0331  0.0007  -0.0395 17  GLY H N   
113  C  CA  . GLY A 16  ? 0.1545 0.1431 0.0306 0.0346  0.0132  -0.0224 17  GLY H CA  
114  C  C   . GLY A 16  ? 0.1427 0.1305 0.0356 0.0256  -0.0016 -0.0202 17  GLY H C   
115  O  O   . GLY A 16  ? 0.1713 0.1381 0.0303 0.0269  0.0159  -0.0293 17  GLY H O   
116  N  N   . SER A 17  ? 0.1408 0.1314 0.0341 0.0263  -0.0044 -0.0172 18  SER H N   
117  C  CA  . SER A 17  ? 0.1438 0.1220 0.0181 0.0214  -0.0094 -0.0187 18  SER H CA  
118  C  C   . SER A 17  ? 0.1412 0.1218 0.0080 0.0235  -0.0115 -0.0111 18  SER H C   
119  O  O   . SER A 17  ? 0.1546 0.1336 0.0321 0.0156  0.0078  -0.0102 18  SER H O   
120  C  CB  . SER A 17  ? 0.1606 0.1441 0.0297 0.0158  -0.0102 -0.0337 18  SER H CB  
121  O  OG  . SER A 17  ? 0.1892 0.1614 0.0379 0.0244  -0.0329 -0.0255 18  SER H OG  
122  N  N   . LEU A 18  ? 0.1562 0.1159 0.0110 0.0246  -0.0039 -0.0127 19  LEU H N   
123  C  CA  . LEU A 18  ? 0.1545 0.1342 0.0200 0.0237  -0.0063 0.0028  19  LEU H CA  
124  C  C   . LEU A 18  ? 0.1442 0.1249 0.0298 0.0252  0.0086  0.0101  19  LEU H C   
125  O  O   . LEU A 18  ? 0.1583 0.1470 0.0356 0.0153  0.0257  -0.0045 19  LEU H O   
126  C  CB  . LEU A 18  ? 0.1655 0.1668 0.0248 0.0220  -0.0072 -0.0024 19  LEU H CB  
127  C  CG  . LEU A 18  ? 0.1893 0.1769 0.0412 0.0150  -0.0093 -0.0106 19  LEU H CG  
128  C  CD1 . LEU A 18  ? 0.2123 0.2167 0.0506 0.0262  -0.0150 -0.0113 19  LEU H CD1 
129  C  CD2 . LEU A 18  ? 0.1830 0.1718 0.0636 0.0049  -0.0072 -0.0155 19  LEU H CD2 
130  N  N   . ARG A 19  ? 0.1499 0.1232 0.0410 0.0177  0.0231  0.0044  20  ARG H N   
131  C  CA  . ARG A 19  ? 0.1383 0.1168 0.0276 0.0200  0.0109  0.0182  20  ARG H CA  
132  C  C   . ARG A 19  ? 0.1390 0.1157 0.0458 0.0100  0.0021  0.0001  20  ARG H C   
133  O  O   . ARG A 19  ? 0.1469 0.1497 0.0613 -0.0023 -0.0035 0.0297  20  ARG H O   
134  C  CB  . ARG A 19  ? 0.1540 0.1506 0.0322 0.0177  -0.0096 0.0122  20  ARG H CB  
135  C  CG  . ARG A 19  ? 0.1478 0.1737 0.0499 0.0048  -0.0147 -0.0146 20  ARG H CG  
136  C  CD  . ARG A 19  ? 0.1597 0.1994 0.0599 -0.0064 0.0093  -0.0148 20  ARG H CD  
137  N  NE  . ARG A 19  ? 0.1894 0.2090 0.0686 -0.0219 -0.0041 -0.0171 20  ARG H NE  
138  C  CZ  . ARG A 19  ? 0.1940 0.2333 0.0657 -0.0410 -0.0343 -0.0047 20  ARG H CZ  
139  N  NH1 . ARG A 19  ? 0.2117 0.2581 0.1145 -0.0605 -0.0139 0.0078  20  ARG H NH1 
140  N  NH2 . ARG A 19  ? 0.2152 0.2180 0.0544 -0.0208 -0.0422 0.0039  20  ARG H NH2 
141  N  N   . LEU A 20  ? 0.1400 0.1198 0.0407 0.0056  0.0048  0.0063  21  LEU H N   
142  C  CA  . LEU A 20  ? 0.1438 0.1336 0.0470 0.0148  -0.0041 0.0020  21  LEU H CA  
143  C  C   . LEU A 20  ? 0.1285 0.1278 0.0426 0.0101  -0.0013 0.0068  21  LEU H C   
144  O  O   . LEU A 20  ? 0.1314 0.1352 0.0509 0.0028  0.0115  -0.0036 21  LEU H O   
145  C  CB  . LEU A 20  ? 0.1490 0.1486 0.0416 0.0129  -0.0077 -0.0032 21  LEU H CB  
146  C  CG  . LEU A 20  ? 0.1586 0.1505 0.0237 0.0124  -0.0055 0.0036  21  LEU H CG  
147  C  CD1 . LEU A 20  ? 0.1812 0.1668 0.0356 0.0134  -0.0234 0.0086  21  LEU H CD1 
148  C  CD2 . LEU A 20  ? 0.1655 0.1537 0.0329 0.0130  -0.0156 -0.0114 21  LEU H CD2 
149  N  N   . SER A 21  ? 0.1296 0.1471 0.0537 0.0163  0.0034  -0.0164 22  SER H N   
150  C  CA  . SER A 21  ? 0.1246 0.1418 0.0605 0.0122  0.0090  -0.0179 22  SER H CA  
151  C  C   . SER A 21  ? 0.1276 0.1405 0.0562 0.0143  0.0130  -0.0162 22  SER H C   
152  O  O   . SER A 21  ? 0.1486 0.1550 0.0935 0.0159  -0.0122 -0.0258 22  SER H O   
153  C  CB  . SER A 21  ? 0.1538 0.1744 0.0445 0.0358  0.0010  -0.0059 22  SER H CB  
154  O  OG  . SER A 21  ? 0.1776 0.1925 0.0896 0.0154  -0.0267 0.0047  22  SER H OG  
155  N  N   . CYS A 22  ? 0.1359 0.1301 0.0538 0.0140  -0.0031 -0.0178 23  CYS H N   
156  C  CA  . CYS A 22  ? 0.1472 0.1495 0.0729 0.0051  -0.0133 -0.0283 23  CYS H CA  
157  C  C   . CYS A 22  ? 0.1398 0.1464 0.0761 0.0159  -0.0125 -0.0122 23  CYS H C   
158  O  O   . CYS A 22  ? 0.1493 0.1704 0.0859 -0.0015 0.0112  -0.0415 23  CYS H O   
159  C  CB  . CYS A 22  ? 0.1821 0.1752 0.0485 0.0254  -0.0205 -0.0246 23  CYS H CB  
160  S  SG  . CYS A 22  ? 0.2451 0.2259 0.1019 0.0697  -0.0355 -0.0051 23  CYS H SG  
161  N  N   . ALA A 23  ? 0.1441 0.1404 0.0724 0.0111  -0.0252 -0.0113 24  ALA H N   
162  C  CA  . ALA A 23  ? 0.1549 0.1606 0.0702 0.0144  -0.0079 -0.0003 24  ALA H CA  
163  C  C   . ALA A 23  ? 0.1440 0.1711 0.0464 0.0102  -0.0054 -0.0064 24  ALA H C   
164  O  O   . ALA A 23  ? 0.1392 0.1874 0.1020 0.0037  -0.0206 -0.0226 24  ALA H O   
165  C  CB  . ALA A 23  ? 0.1587 0.1862 0.0562 0.0145  0.0055  0.0053  24  ALA H CB  
166  N  N   . VAL A 24  ? 0.1379 0.1649 0.0653 0.0101  -0.0060 -0.0124 25  VAL H N   
167  C  CA  . VAL A 24  ? 0.1373 0.1855 0.0682 0.0157  0.0002  -0.0122 25  VAL H CA  
168  C  C   . VAL A 24  ? 0.1471 0.1990 0.0659 0.0203  0.0063  -0.0055 25  VAL H C   
169  O  O   . VAL A 24  ? 0.1951 0.2868 0.0803 0.0076  -0.0116 -0.0337 25  VAL H O   
170  C  CB  . VAL A 24  ? 0.1470 0.1860 0.0971 0.0124  -0.0118 -0.0132 25  VAL H CB  
171  C  CG1 . VAL A 24  ? 0.1464 0.2055 0.1267 0.0129  -0.0069 -0.0003 25  VAL H CG1 
172  C  CG2 . VAL A 24  ? 0.1551 0.1828 0.0902 0.0208  -0.0037 -0.0136 25  VAL H CG2 
173  N  N   . SER A 25  ? 0.1439 0.1883 0.0913 0.0110  0.0108  -0.0011 26  SER H N   
174  C  CA  . SER A 25  ? 0.1548 0.2076 0.1249 0.0278  0.0177  0.0019  26  SER H CA  
175  C  C   . SER A 25  ? 0.1559 0.1975 0.1121 0.0332  0.0162  -0.0069 26  SER H C   
176  O  O   . SER A 25  ? 0.1918 0.1871 0.1124 0.0350  0.0014  -0.0086 26  SER H O   
177  C  CB  . SER A 25  ? 0.1859 0.2618 0.1799 0.0028  0.0413  0.0089  26  SER H CB  
178  O  OG  . SER A 25  ? 0.2706 0.2933 0.2169 -0.0226 0.0609  0.0114  26  SER H OG  
179  N  N   . GLY A 26  ? 0.1825 0.1984 0.0945 0.0257  0.0287  -0.0082 27  GLY H N   
180  C  CA  . GLY A 26  ? 0.1919 0.1954 0.1046 0.0474  0.0296  -0.0214 27  GLY H CA  
181  C  C   . GLY A 26  ? 0.1735 0.1995 0.0786 0.0380  0.0304  -0.0086 27  GLY H C   
182  O  O   . GLY A 26  ? 0.1996 0.2415 0.1561 0.0584  0.0185  -0.0334 27  GLY H O   
183  N  N   . PHE A 27  ? 0.1761 0.1919 0.0589 0.0407  0.0011  -0.0184 28  PHE H N   
184  C  CA  . PHE A 27  ? 0.1509 0.1801 0.0284 0.0400  0.0000  -0.0208 28  PHE H CA  
185  C  C   . PHE A 27  ? 0.1543 0.1779 0.0314 0.0446  -0.0071 -0.0199 28  PHE H C   
186  O  O   . PHE A 27  ? 0.1587 0.1901 0.0192 0.0519  0.0068  -0.0064 28  PHE H O   
187  C  CB  . PHE A 27  ? 0.1936 0.1770 0.0265 0.0327  -0.0091 -0.0213 28  PHE H CB  
188  C  CG  . PHE A 27  ? 0.1981 0.1601 0.0295 0.0309  -0.0033 -0.0050 28  PHE H CG  
189  C  CD1 . PHE A 27  ? 0.2212 0.1820 0.0851 0.0086  0.0057  -0.0299 28  PHE H CD1 
190  C  CD2 . PHE A 27  ? 0.2282 0.1541 0.0074 0.0104  0.0105  -0.0093 28  PHE H CD2 
191  C  CE1 . PHE A 27  ? 0.2253 0.1854 0.0930 0.0078  0.0208  -0.0220 28  PHE H CE1 
192  C  CE2 . PHE A 27  ? 0.2358 0.1587 0.0294 0.0045  0.0275  0.0086  28  PHE H CE2 
193  C  CZ  . PHE A 27  ? 0.2503 0.1605 0.0563 0.0063  0.0442  0.0033  28  PHE H CZ  
194  N  N   . PRO A 28  ? 0.1522 0.1751 0.0193 0.0427  -0.0021 -0.0154 29  PRO H N   
195  C  CA  . PRO A 28  ? 0.1432 0.1770 0.0186 0.0373  0.0085  0.0114  29  PRO H CA  
196  C  C   . PRO A 28  ? 0.1383 0.1443 0.0431 0.0428  0.0076  0.0084  29  PRO H C   
197  O  O   . PRO A 28  ? 0.1763 0.1649 0.0423 0.0363  0.0188  0.0244  29  PRO H O   
198  C  CB  . PRO A 28  ? 0.1562 0.1836 0.0207 0.0358  0.0229  0.0033  29  PRO H CB  
199  C  CG  . PRO A 28  ? 0.1839 0.1806 0.0518 0.0436  0.0052  0.0020  29  PRO H CG  
200  C  CD  . PRO A 28  ? 0.1529 0.1825 0.0314 0.0359  0.0139  0.0037  29  PRO H CD  
201  N  N   . PHE A 29  ? 0.1622 0.1446 0.0652 0.0427  0.0106  0.0134  30  PHE H N   
202  C  CA  . PHE A 29  ? 0.1511 0.1529 0.0533 0.0440  0.0041  0.0081  30  PHE H CA  
203  C  C   . PHE A 29  ? 0.1458 0.1581 0.0526 0.0414  0.0067  -0.0045 30  PHE H C   
204  O  O   . PHE A 29  ? 0.1470 0.1565 0.0446 0.0251  0.0106  -0.0186 30  PHE H O   
205  C  CB  . PHE A 29  ? 0.1451 0.1445 0.0845 0.0345  0.0075  -0.0059 30  PHE H CB  
206  C  CG  . PHE A 29  ? 0.1417 0.1266 0.0677 0.0428  -0.0051 -0.0091 30  PHE H CG  
207  C  CD1 . PHE A 29  ? 0.1340 0.1334 0.0615 0.0359  -0.0108 -0.0051 30  PHE H CD1 
208  C  CD2 . PHE A 29  ? 0.1601 0.1443 0.0388 0.0369  -0.0027 -0.0182 30  PHE H CD2 
209  C  CE1 . PHE A 29  ? 0.1391 0.1408 0.0525 0.0369  0.0025  -0.0069 30  PHE H CE1 
210  C  CE2 . PHE A 29  ? 0.1561 0.1324 0.0572 0.0384  -0.0184 -0.0056 30  PHE H CE2 
211  C  CZ  . PHE A 29  ? 0.1414 0.1315 0.0531 0.0434  0.0014  -0.0053 30  PHE H CZ  
212  N  N   . SER A 30  ? 0.1789 0.1841 0.0635 0.0411  0.0066  -0.0286 35  SER H N   
213  C  CA  . SER A 30  ? 0.1977 0.2369 0.0733 0.0424  -0.0061 -0.0636 35  SER H CA  
214  C  C   . SER A 30  ? 0.2114 0.2441 0.0658 0.0269  0.0273  -0.0857 35  SER H C   
215  O  O   . SER A 30  ? 0.2035 0.3175 0.1589 -0.0040 0.0219  -0.0867 35  SER H O   
216  C  CB  A SER A 30  ? 0.2743 0.3004 0.0786 0.0333  -0.0309 -0.0629 35  SER H CB  
217  C  CB  B SER A 30  ? 0.2335 0.2584 0.0738 0.0328  -0.0088 -0.0686 35  SER H CB  
218  O  OG  A SER A 30  ? 0.3282 0.3608 0.1118 0.0574  -0.0149 -0.0549 35  SER H OG  
219  O  OG  B SER A 30  ? 0.2169 0.2709 0.0291 0.0373  0.0035  -0.0760 35  SER H OG  
220  N  N   . SER A 31  ? 0.2172 0.1837 0.0737 0.0346  0.0235  -0.0610 36  SER H N   
221  C  CA  . SER A 31  ? 0.2418 0.1774 0.1139 0.0325  0.0331  -0.0486 36  SER H CA  
222  C  C   . SER A 31  ? 0.2097 0.1330 0.0914 0.0392  0.0091  -0.0266 36  SER H C   
223  O  O   . SER A 31  ? 0.2769 0.1499 0.1404 0.0147  0.0645  -0.0222 36  SER H O   
224  C  CB  A SER A 31  ? 0.2535 0.1859 0.1289 0.0377  0.0283  -0.0250 36  SER H CB  
225  C  CB  B SER A 31  ? 0.2773 0.1555 0.1282 0.0456  0.0519  -0.0425 36  SER H CB  
226  O  OG  A SER A 31  ? 0.2255 0.2131 0.0494 0.0464  -0.0100 -0.0393 36  SER H OG  
227  O  OG  B SER A 31  ? 0.3321 0.1627 0.1270 0.0659  0.0607  -0.0557 36  SER H OG  
228  N  N   . TYR A 32  ? 0.1620 0.1312 0.0772 0.0209  0.0205  -0.0238 37  TYR H N   
229  C  CA  . TYR A 32  ? 0.1574 0.1282 0.0598 0.0299  -0.0087 -0.0132 37  TYR H CA  
230  C  C   . TYR A 32  ? 0.1434 0.1310 0.0461 0.0190  -0.0069 -0.0208 37  TYR H C   
231  O  O   . TYR A 32  ? 0.1452 0.1563 0.0255 0.0269  -0.0089 -0.0268 37  TYR H O   
232  C  CB  . TYR A 32  ? 0.1493 0.1474 0.0574 0.0407  -0.0077 -0.0245 37  TYR H CB  
233  C  CG  . TYR A 32  ? 0.1363 0.1554 0.0317 0.0468  -0.0066 -0.0219 37  TYR H CG  
234  C  CD1 . TYR A 32  ? 0.1408 0.1770 0.0117 0.0524  0.0111  -0.0215 37  TYR H CD1 
235  C  CD2 . TYR A 32  ? 0.1504 0.1706 0.0167 0.0345  -0.0162 -0.0196 37  TYR H CD2 
236  C  CE1 . TYR A 32  ? 0.1365 0.1945 0.0068 0.0517  0.0021  -0.0086 37  TYR H CE1 
237  C  CE2 . TYR A 32  ? 0.1485 0.1612 0.0096 0.0330  -0.0060 -0.0227 37  TYR H CE2 
238  C  CZ  . TYR A 32  ? 0.1470 0.1747 0.0085 0.0517  0.0055  -0.0153 37  TYR H CZ  
239  O  OH  . TYR A 32  ? 0.1573 0.1917 0.0164 0.0671  0.0006  -0.0147 37  TYR H OH  
240  N  N   . TRP A 33  ? 0.1362 0.1168 0.0422 0.0252  -0.0150 0.0013  38  TRP H N   
241  C  CA  . TRP A 33  ? 0.1415 0.1314 0.0381 0.0212  -0.0079 -0.0093 38  TRP H CA  
242  C  C   . TRP A 33  ? 0.1235 0.1253 0.0130 0.0239  -0.0053 -0.0067 38  TRP H C   
243  O  O   . TRP A 33  ? 0.1309 0.1267 0.0294 0.0323  -0.0291 -0.0075 38  TRP H O   
244  C  CB  . TRP A 33  ? 0.1660 0.1427 0.0565 0.0205  0.0149  -0.0199 38  TRP H CB  
245  C  CG  . TRP A 33  ? 0.1717 0.1600 0.0466 0.0159  -0.0040 -0.0034 38  TRP H CG  
246  C  CD1 . TRP A 33  ? 0.1951 0.1790 0.0958 0.0096  0.0070  -0.0313 38  TRP H CD1 
247  C  CD2 . TRP A 33  ? 0.1779 0.1734 0.0215 -0.0031 -0.0090 0.0005  38  TRP H CD2 
248  N  NE1 . TRP A 33  ? 0.2174 0.1665 0.1022 -0.0061 0.0007  -0.0194 38  TRP H NE1 
249  C  CE2 . TRP A 33  ? 0.2054 0.1703 0.0537 -0.0072 0.0053  -0.0037 38  TRP H CE2 
250  C  CE3 . TRP A 33  ? 0.1925 0.1817 0.0426 0.0022  -0.0077 -0.0002 38  TRP H CE3 
251  C  CZ2 . TRP A 33  ? 0.2068 0.1751 0.0802 -0.0151 -0.0075 -0.0174 38  TRP H CZ2 
252  C  CZ3 . TRP A 33  ? 0.2068 0.1925 0.0574 -0.0117 0.0087  0.0035  38  TRP H CZ3 
253  C  CH2 . TRP A 33  ? 0.2008 0.1892 0.0964 -0.0089 0.0146  0.0075  38  TRP H CH2 
254  N  N   . MET A 34  ? 0.1309 0.1222 0.0147 0.0224  -0.0263 -0.0021 39  MET H N   
255  C  CA  . MET A 34  ? 0.1261 0.1206 0.0308 0.0198  -0.0297 0.0050  39  MET H CA  
256  C  C   . MET A 34  ? 0.1200 0.1326 0.0180 0.0125  -0.0361 0.0014  39  MET H C   
257  O  O   . MET A 34  ? 0.1229 0.1525 0.0194 0.0081  -0.0199 -0.0225 39  MET H O   
258  C  CB  . MET A 34  ? 0.1233 0.1277 0.0236 0.0099  -0.0305 0.0067  39  MET H CB  
259  C  CG  . MET A 34  ? 0.1434 0.1523 0.0107 -0.0004 -0.0192 0.0140  39  MET H CG  
260  S  SD  . MET A 34  ? 0.1497 0.1692 0.0164 0.0139  -0.0228 0.0088  39  MET H SD  
261  C  CE  . MET A 34  ? 0.1437 0.1882 0.0363 -0.0098 -0.0446 0.0221  39  MET H CE  
262  N  N   . SER A 35  ? 0.1416 0.1391 0.0512 0.0092  -0.0174 -0.0310 40  SER H N   
263  C  CA  . SER A 35  ? 0.1435 0.1262 0.0365 0.0162  -0.0185 -0.0262 40  SER H CA  
264  C  C   . SER A 35  ? 0.1290 0.1221 0.0235 0.0157  -0.0209 -0.0114 40  SER H C   
265  O  O   . SER A 35  ? 0.1247 0.1336 0.0332 0.0105  -0.0175 -0.0145 40  SER H O   
266  C  CB  A SER A 35  ? 0.1579 0.1187 0.0440 0.0183  -0.0194 -0.0155 40  SER H CB  
267  C  CB  B SER A 35  ? 0.1801 0.1209 0.0544 0.0175  -0.0080 -0.0070 40  SER H CB  
268  O  OG  A SER A 35  ? 0.1522 0.1173 0.0169 0.0247  -0.0389 -0.0121 40  SER H OG  
269  O  OG  B SER A 35  ? 0.2061 0.1180 0.1142 0.0116  -0.0160 -0.0226 40  SER H OG  
270  N  N   . TRP A 36  ? 0.1259 0.1195 0.0187 0.0185  -0.0189 -0.0007 41  TRP H N   
271  C  CA  . TRP A 36  ? 0.1442 0.1166 0.0098 0.0150  -0.0218 -0.0002 41  TRP H CA  
272  C  C   . TRP A 36  ? 0.1443 0.1090 0.0089 0.0057  -0.0188 -0.0018 41  TRP H C   
273  O  O   . TRP A 36  ? 0.1475 0.1252 0.0103 0.0046  -0.0207 0.0026  41  TRP H O   
274  C  CB  . TRP A 36  ? 0.1573 0.1161 0.0094 0.0239  -0.0215 -0.0033 41  TRP H CB  
275  C  CG  . TRP A 36  ? 0.1356 0.1198 0.0094 0.0187  -0.0193 0.0024  41  TRP H CG  
276  C  CD1 . TRP A 36  ? 0.1414 0.1135 0.0170 0.0076  -0.0137 0.0012  41  TRP H CD1 
277  C  CD2 . TRP A 36  ? 0.1343 0.1196 0.0120 0.0189  -0.0259 0.0029  41  TRP H CD2 
278  N  NE1 . TRP A 36  ? 0.1333 0.1242 0.0084 0.0068  -0.0161 -0.0023 41  TRP H NE1 
279  C  CE2 . TRP A 36  ? 0.1205 0.1242 0.0105 0.0157  -0.0184 -0.0034 41  TRP H CE2 
280  C  CE3 . TRP A 36  ? 0.1454 0.1320 0.0422 0.0104  -0.0132 -0.0044 41  TRP H CE3 
281  C  CZ2 . TRP A 36  ? 0.1218 0.1300 0.0222 0.0184  -0.0151 -0.0029 41  TRP H CZ2 
282  C  CZ3 . TRP A 36  ? 0.1260 0.1326 0.0317 0.0098  -0.0296 0.0024  41  TRP H CZ3 
283  C  CH2 . TRP A 36  ? 0.1258 0.1330 0.0267 0.0099  -0.0122 -0.0009 41  TRP H CH2 
284  N  N   . VAL A 37  ? 0.1668 0.1099 0.0097 -0.0014 -0.0232 -0.0013 42  VAL H N   
285  C  CA  . VAL A 37  ? 0.1717 0.1207 0.0073 0.0105  -0.0127 -0.0035 42  VAL H CA  
286  C  C   . VAL A 37  ? 0.1785 0.1252 0.0094 0.0079  -0.0187 -0.0123 42  VAL H C   
287  O  O   . VAL A 37  ? 0.2495 0.1418 0.0185 -0.0146 -0.0076 -0.0229 42  VAL H O   
288  C  CB  . VAL A 37  ? 0.1556 0.1322 0.0097 0.0094  -0.0138 -0.0172 42  VAL H CB  
289  C  CG1 . VAL A 37  ? 0.1718 0.1394 0.0116 0.0153  -0.0086 -0.0260 42  VAL H CG1 
290  C  CG2 . VAL A 37  ? 0.1644 0.1379 0.0113 0.0121  -0.0226 -0.0168 42  VAL H CG2 
291  N  N   . ARG A 38  ? 0.1745 0.1114 0.0112 0.0188  -0.0255 -0.0134 43  ARG H N   
292  C  CA  . ARG A 38  ? 0.1771 0.1182 0.0306 0.0171  -0.0201 -0.0214 43  ARG H CA  
293  C  C   . ARG A 38  ? 0.1826 0.1113 0.0452 0.0219  -0.0473 -0.0125 43  ARG H C   
294  O  O   . ARG A 38  ? 0.2249 0.1221 0.0376 0.0088  -0.0467 -0.0104 43  ARG H O   
295  C  CB  . ARG A 38  ? 0.1829 0.1271 0.0372 0.0244  -0.0287 -0.0314 43  ARG H CB  
296  C  CG  . ARG A 38  ? 0.1790 0.1476 0.0481 0.0271  -0.0230 -0.0328 43  ARG H CG  
297  C  CD  . ARG A 38  ? 0.1858 0.1422 0.0649 0.0289  -0.0121 -0.0182 43  ARG H CD  
298  N  NE  . ARG A 38  ? 0.2106 0.1688 0.0658 0.0304  -0.0078 -0.0005 43  ARG H NE  
299  C  CZ  . ARG A 38  ? 0.1987 0.1546 0.0963 0.0254  -0.0011 0.0018  43  ARG H CZ  
300  N  NH1 . ARG A 38  ? 0.1807 0.1596 0.0951 0.0230  -0.0127 0.0047  43  ARG H NH1 
301  N  NH2 . ARG A 38  ? 0.2212 0.2187 0.1556 0.0377  0.0296  0.0187  43  ARG H NH2 
302  N  N   . GLN A 39  ? 0.1886 0.1183 0.0250 0.0150  -0.0578 -0.0113 44  GLN H N   
303  C  CA  . GLN A 39  ? 0.2045 0.1249 0.0250 0.0219  -0.0579 -0.0208 44  GLN H CA  
304  C  C   . GLN A 39  ? 0.2041 0.1311 0.0310 0.0214  -0.0614 -0.0321 44  GLN H C   
305  O  O   . GLN A 39  ? 0.2197 0.1308 0.0569 0.0244  -0.0760 -0.0278 44  GLN H O   
306  C  CB  . GLN A 39  ? 0.2151 0.1288 0.0181 0.0305  -0.0472 -0.0186 44  GLN H CB  
307  C  CG  . GLN A 39  ? 0.2093 0.1709 0.0241 0.0154  -0.0583 -0.0177 44  GLN H CG  
308  C  CD  . GLN A 39  ? 0.2203 0.1877 0.0525 0.0396  -0.0496 0.0145  44  GLN H CD  
309  O  OE1 . GLN A 39  ? 0.2308 0.2208 0.1161 0.0388  -0.0237 0.0219  44  GLN H OE1 
310  N  NE2 . GLN A 39  ? 0.2140 0.1824 0.0152 0.0390  -0.0222 0.0073  44  GLN H NE2 
311  N  N   . ALA A 40  ? 0.2209 0.1468 0.0482 0.0265  -0.0424 -0.0129 45  ALA H N   
312  C  CA  . ALA A 40  ? 0.2580 0.1624 0.0368 0.0478  -0.0455 -0.0094 45  ALA H CA  
313  C  C   . ALA A 40  ? 0.3108 0.1478 0.0779 0.0483  -0.0636 -0.0401 45  ALA H C   
314  O  O   . ALA A 40  ? 0.2785 0.1423 0.0537 0.0434  -0.0678 -0.0453 45  ALA H O   
315  C  CB  . ALA A 40  ? 0.2497 0.1746 0.0799 0.0550  -0.0161 -0.0229 45  ALA H CB  
316  N  N   . PRO A 41  ? 0.3988 0.1484 0.0893 0.0260  -0.1127 -0.0438 46  PRO H N   
317  C  CA  . PRO A 41  ? 0.4035 0.1593 0.1594 0.0171  -0.1261 -0.0500 46  PRO H CA  
318  C  C   . PRO A 41  ? 0.4145 0.1748 0.1497 0.0075  -0.0844 -0.0416 46  PRO H C   
319  O  O   . PRO A 41  ? 0.4223 0.2049 0.1264 0.0208  -0.0885 -0.0501 46  PRO H O   
320  C  CB  . PRO A 41  ? 0.4552 0.1616 0.1870 0.0031  -0.1178 -0.0456 46  PRO H CB  
321  C  CG  . PRO A 41  ? 0.4648 0.1905 0.1960 0.0246  -0.1272 -0.0501 46  PRO H CG  
322  C  CD  . PRO A 41  ? 0.4374 0.1652 0.1530 0.0361  -0.1390 -0.0342 46  PRO H CD  
323  N  N   . GLY A 42  ? 0.4181 0.2107 0.1305 -0.0215 -0.1068 -0.0498 47  GLY H N   
324  C  CA  . GLY A 42  ? 0.4131 0.2275 0.1098 -0.0084 -0.1057 -0.0617 47  GLY H CA  
325  C  C   . GLY A 42  ? 0.3824 0.2263 0.0901 0.0081  -0.0993 -0.0665 47  GLY H C   
326  O  O   . GLY A 42  ? 0.4045 0.2683 0.1341 0.0283  -0.1100 -0.0272 47  GLY H O   
327  N  N   . LYS A 43  ? 0.3382 0.1798 0.0583 0.0476  -0.0760 -0.0622 48  LYS H N   
328  C  CA  . LYS A 43  ? 0.3235 0.1750 0.0525 0.0687  -0.0643 -0.0503 48  LYS H CA  
329  C  C   . LYS A 43  ? 0.2567 0.1933 0.0317 0.0574  -0.0674 -0.0509 48  LYS H C   
330  O  O   . LYS A 43  ? 0.2522 0.2070 0.0382 0.0703  -0.0602 -0.0504 48  LYS H O   
331  C  CB  . LYS A 43  ? 0.3480 0.1975 0.0791 0.0933  -0.0536 -0.0513 48  LYS H CB  
332  C  CG  . LYS A 43  ? 0.4041 0.2497 0.1474 0.1348  -0.0428 -0.0588 48  LYS H CG  
333  C  CD  . LYS A 43  ? 0.4730 0.3518 0.1612 0.1560  -0.0302 -0.0307 48  LYS H CD  
334  C  CE  . LYS A 43  ? 0.5605 0.4037 0.2234 0.1915  -0.0071 -0.0412 48  LYS H CE  
335  N  NZ  . LYS A 43  ? 0.6639 0.5468 0.2619 0.1937  0.0173  -0.0617 48  LYS H NZ  
336  N  N   . GLY A 44  ? 0.2594 0.1864 0.0287 0.0639  -0.0620 -0.0499 49  GLY H N   
337  C  CA  . GLY A 44  ? 0.2338 0.1577 0.0288 0.0565  -0.0547 -0.0238 49  GLY H CA  
338  C  C   . GLY A 44  ? 0.2103 0.1452 0.0252 0.0647  -0.0499 -0.0167 49  GLY H C   
339  O  O   . GLY A 44  ? 0.2510 0.1765 0.0377 0.0965  -0.0604 -0.0348 49  GLY H O   
340  N  N   . LEU A 45  ? 0.1902 0.1405 0.0198 0.0478  -0.0485 -0.0215 50  LEU H N   
341  C  CA  . LEU A 45  ? 0.1899 0.1554 0.0189 0.0363  -0.0479 -0.0066 50  LEU H CA  
342  C  C   . LEU A 45  ? 0.1805 0.1402 0.0185 0.0336  -0.0406 0.0043  50  LEU H C   
343  O  O   . LEU A 45  ? 0.1950 0.1499 0.0223 0.0273  -0.0290 0.0118  50  LEU H O   
344  C  CB  . LEU A 45  ? 0.1952 0.1497 0.0135 0.0368  -0.0370 -0.0061 50  LEU H CB  
345  C  CG  . LEU A 45  ? 0.1878 0.1502 0.0132 0.0390  -0.0348 -0.0125 50  LEU H CG  
346  C  CD1 . LEU A 45  ? 0.1875 0.1653 0.0121 0.0417  -0.0317 -0.0015 50  LEU H CD1 
347  C  CD2 . LEU A 45  ? 0.1762 0.1410 0.0489 0.0315  -0.0207 -0.0022 50  LEU H CD2 
348  N  N   . GLU A 46  ? 0.1804 0.1506 0.0119 0.0293  -0.0311 -0.0038 51  GLU H N   
349  C  CA  . GLU A 46  ? 0.1897 0.1409 0.0116 0.0163  -0.0230 -0.0018 51  GLU H CA  
350  C  C   . GLU A 46  ? 0.1933 0.1320 0.0140 0.0182  -0.0339 0.0105  51  GLU H C   
351  O  O   . GLU A 46  ? 0.1727 0.1250 0.0147 0.0225  -0.0281 0.0166  51  GLU H O   
352  C  CB  . GLU A 46  ? 0.1946 0.1710 0.0085 0.0220  -0.0155 -0.0143 51  GLU H CB  
353  C  CG  . GLU A 46  ? 0.2110 0.2109 0.0532 0.0218  -0.0059 -0.0016 51  GLU H CG  
354  C  CD  . GLU A 46  ? 0.2197 0.2359 0.0742 0.0193  -0.0104 -0.0054 51  GLU H CD  
355  O  OE1 . GLU A 46  ? 0.2771 0.2564 0.1032 0.0122  0.0134  -0.0083 51  GLU H OE1 
356  O  OE2 . GLU A 46  ? 0.2575 0.3044 0.1435 -0.0068 0.0058  0.0255  51  GLU H OE2 
357  N  N   . TRP A 47  ? 0.2002 0.1267 0.0114 0.0135  -0.0305 -0.0085 52  TRP H N   
358  C  CA  . TRP A 47  ? 0.1979 0.1354 0.0110 0.0201  -0.0250 -0.0163 52  TRP H CA  
359  C  C   . TRP A 47  ? 0.1696 0.1465 0.0078 0.0133  -0.0140 -0.0072 52  TRP H C   
360  O  O   . TRP A 47  ? 0.1863 0.1952 0.0233 0.0084  -0.0009 -0.0011 52  TRP H O   
361  C  CB  . TRP A 47  ? 0.2277 0.1454 0.0106 0.0195  -0.0286 -0.0120 52  TRP H CB  
362  C  CG  . TRP A 47  ? 0.2299 0.1295 0.0112 0.0181  -0.0325 -0.0069 52  TRP H CG  
363  C  CD1 . TRP A 47  ? 0.2170 0.1527 0.0391 0.0245  -0.0346 -0.0005 52  TRP H CD1 
364  C  CD2 . TRP A 47  ? 0.2289 0.1296 0.0124 0.0134  -0.0334 0.0095  52  TRP H CD2 
365  N  NE1 . TRP A 47  ? 0.2373 0.1793 0.0299 0.0038  -0.0398 0.0048  52  TRP H NE1 
366  C  CE2 . TRP A 47  ? 0.2363 0.1593 0.0117 0.0130  -0.0343 0.0042  52  TRP H CE2 
367  C  CE3 . TRP A 47  ? 0.2214 0.1336 0.0191 0.0136  -0.0362 0.0045  52  TRP H CE3 
368  C  CZ2 . TRP A 47  ? 0.2481 0.1844 0.0184 0.0040  -0.0462 0.0233  52  TRP H CZ2 
369  C  CZ3 . TRP A 47  ? 0.2359 0.1518 0.0518 0.0048  -0.0359 0.0027  52  TRP H CZ3 
370  C  CH2 . TRP A 47  ? 0.2366 0.1486 0.0321 -0.0083 -0.0513 0.0117  52  TRP H CH2 
371  N  N   . VAL A 48  ? 0.1542 0.1374 0.0098 0.0210  -0.0195 -0.0135 53  VAL H N   
372  C  CA  . VAL A 48  ? 0.1409 0.1508 0.0171 0.0091  -0.0305 -0.0251 53  VAL H CA  
373  C  C   . VAL A 48  ? 0.1303 0.1256 0.0166 0.0185  -0.0154 -0.0211 53  VAL H C   
374  O  O   . VAL A 48  ? 0.1333 0.1636 0.0258 0.0187  -0.0056 -0.0138 53  VAL H O   
375  C  CB  . VAL A 48  ? 0.1834 0.1506 0.0487 0.0144  -0.0400 -0.0254 53  VAL H CB  
376  C  CG1 . VAL A 48  ? 0.2257 0.1594 0.0577 0.0151  -0.0258 -0.0002 53  VAL H CG1 
377  C  CG2 . VAL A 48  ? 0.1970 0.1566 0.0918 0.0066  -0.0526 -0.0259 53  VAL H CG2 
378  N  N   . ALA A 49  ? 0.1308 0.1280 0.0179 0.0263  -0.0216 -0.0248 54  ALA H N   
379  C  CA  . ALA A 49  ? 0.1338 0.1328 0.0111 0.0167  -0.0239 -0.0089 54  ALA H CA  
380  C  C   . ALA A 49  ? 0.1356 0.1299 0.0115 0.0219  -0.0258 -0.0027 54  ALA H C   
381  O  O   . ALA A 49  ? 0.1530 0.1453 0.0087 0.0036  -0.0148 -0.0115 54  ALA H O   
382  C  CB  . ALA A 49  ? 0.1410 0.1410 0.0283 0.0315  -0.0221 0.0000  54  ALA H CB  
383  N  N   . ASN A 50  ? 0.1358 0.1249 0.0095 0.0174  -0.0204 -0.0020 55  ASN H N   
384  C  CA  . ASN A 50  ? 0.1416 0.1260 0.0088 0.0189  -0.0185 -0.0032 55  ASN H CA  
385  C  C   . ASN A 50  ? 0.1248 0.1245 0.0072 0.0181  -0.0098 0.0007  55  ASN H C   
386  O  O   . ASN A 50  ? 0.1413 0.1436 0.0076 0.0147  -0.0130 -0.0016 55  ASN H O   
387  C  CB  . ASN A 50  ? 0.1770 0.1482 0.0112 0.0345  -0.0241 -0.0083 55  ASN H CB  
388  C  CG  . ASN A 50  ? 0.1991 0.1519 0.0072 0.0403  -0.0018 0.0109  55  ASN H CG  
389  O  OD1 . ASN A 50  ? 0.2144 0.1594 0.0744 0.0166  0.0168  0.0155  55  ASN H OD1 
390  N  ND2 . ASN A 50  ? 0.2543 0.1892 0.0687 0.0572  -0.0134 0.0422  55  ASN H ND2 
391  N  N   . ILE A 51  ? 0.1236 0.1324 0.0093 0.0180  -0.0171 -0.0109 56  ILE H N   
392  C  CA  . ILE A 51  ? 0.1236 0.1291 0.0085 0.0077  -0.0140 -0.0092 56  ILE H CA  
393  C  C   . ILE A 51  ? 0.1300 0.1280 0.0070 0.0038  -0.0085 -0.0037 56  ILE H C   
394  O  O   . ILE A 51  ? 0.1353 0.1278 0.0287 0.0083  -0.0181 -0.0208 56  ILE H O   
395  C  CB  . ILE A 51  ? 0.1359 0.1212 0.0171 0.0088  -0.0087 -0.0154 56  ILE H CB  
396  C  CG1 . ILE A 51  ? 0.1556 0.1228 0.0218 0.0085  -0.0117 -0.0195 56  ILE H CG1 
397  C  CG2 . ILE A 51  ? 0.1417 0.1363 0.0123 0.0151  0.0015  -0.0147 56  ILE H CG2 
398  C  CD1 . ILE A 51  ? 0.1740 0.1269 0.0300 0.0164  0.0038  -0.0188 56  ILE H CD1 
399  N  N   . LYS A 52  ? 0.1242 0.1197 0.0078 0.0034  -0.0121 -0.0055 57  LYS H N   
400  C  CA  . LYS A 52  ? 0.1405 0.1287 0.0247 0.0134  -0.0280 -0.0196 57  LYS H CA  
401  C  C   . LYS A 52  ? 0.1484 0.1197 0.0344 0.0195  -0.0249 -0.0193 57  LYS H C   
402  O  O   . LYS A 52  ? 0.1559 0.1269 0.0234 0.0238  -0.0201 -0.0062 57  LYS H O   
403  C  CB  . LYS A 52  ? 0.1583 0.1413 0.0523 0.0050  -0.0188 -0.0188 57  LYS H CB  
404  C  CG  . LYS A 52  ? 0.1862 0.1494 0.0599 0.0137  -0.0220 -0.0278 57  LYS H CG  
405  C  CD  . LYS A 52  ? 0.2299 0.1581 0.1058 -0.0023 -0.0220 -0.0323 57  LYS H CD  
406  C  CE  . LYS A 52  ? 0.2972 0.1742 0.2223 -0.0190 -0.0236 -0.0562 57  LYS H CE  
407  N  NZ  . LYS A 52  ? 0.3458 0.2110 0.3050 -0.0352 -0.0476 -0.0194 57  LYS H NZ  
408  N  N   . GLU A 53  ? 0.1563 0.1287 0.0715 0.0284  -0.0288 -0.0172 58  GLU H N   
409  C  CA  . GLU A 53  ? 0.1677 0.1696 0.0543 0.0227  -0.0171 -0.0250 58  GLU H CA  
410  C  C   . GLU A 53  ? 0.1620 0.1451 0.0610 0.0160  -0.0091 -0.0154 58  GLU H C   
411  O  O   . GLU A 53  ? 0.1783 0.1543 0.0335 0.0210  -0.0064 -0.0083 58  GLU H O   
412  C  CB  . GLU A 53  ? 0.1815 0.2214 0.0712 0.0649  0.0047  -0.0125 58  GLU H CB  
413  C  CG  . GLU A 53  ? 0.2389 0.2519 0.1425 0.0587  -0.0306 -0.0202 58  GLU H CG  
414  C  CD  . GLU A 53  ? 0.2525 0.2590 0.1549 0.0684  -0.0300 -0.0189 58  GLU H CD  
415  O  OE1 . GLU A 53  ? 0.2374 0.1787 0.1827 0.0657  -0.0411 0.0084  58  GLU H OE1 
416  O  OE2 . GLU A 53  ? 0.3208 0.3232 0.2175 0.1204  -0.0391 0.0075  58  GLU H OE2 
417  N  N   . ASP A 54  ? 0.1555 0.1482 0.0457 0.0196  -0.0139 -0.0052 59  ASP H N   
418  C  CA  . ASP A 54  ? 0.1608 0.1689 0.0376 0.0108  -0.0212 -0.0237 59  ASP H CA  
419  C  C   . ASP A 54  ? 0.1723 0.1626 0.0391 0.0195  -0.0239 -0.0235 59  ASP H C   
420  O  O   . ASP A 54  ? 0.1958 0.2191 0.0321 0.0505  -0.0233 -0.0146 59  ASP H O   
421  C  CB  . ASP A 54  ? 0.1793 0.1737 0.0689 0.0164  -0.0252 -0.0490 59  ASP H CB  
422  C  CG  . ASP A 54  ? 0.2120 0.1951 0.0834 0.0054  -0.0052 -0.0573 59  ASP H CG  
423  O  OD1 . ASP A 54  ? 0.2219 0.1479 0.0729 0.0087  0.0024  -0.0375 59  ASP H OD1 
424  O  OD2 . ASP A 54  ? 0.3180 0.2490 0.1683 -0.0244 -0.0036 -0.0922 59  ASP H OD2 
425  N  N   . GLY A 55  ? 0.1541 0.1438 0.0245 0.0132  -0.0371 -0.0095 62  GLY H N   
426  C  CA  . GLY A 55  ? 0.1659 0.1349 0.0381 0.0150  -0.0387 -0.0116 62  GLY H CA  
427  C  C   . GLY A 55  ? 0.1547 0.1385 0.0204 0.0213  -0.0450 -0.0143 62  GLY H C   
428  O  O   . GLY A 55  ? 0.1659 0.1493 0.0456 0.0264  -0.0426 -0.0191 62  GLY H O   
429  N  N   . SER A 56  ? 0.1622 0.1382 0.0357 0.0235  -0.0333 -0.0095 63  SER H N   
430  C  CA  . SER A 56  ? 0.1692 0.1537 0.0403 0.0159  -0.0215 -0.0182 63  SER H CA  
431  C  C   . SER A 56  ? 0.1556 0.1829 0.0438 0.0110  -0.0303 -0.0136 63  SER H C   
432  O  O   . SER A 56  ? 0.1804 0.2024 0.0603 0.0006  -0.0182 -0.0098 63  SER H O   
433  C  CB  . SER A 56  ? 0.1870 0.1642 0.0553 0.0212  -0.0265 -0.0301 63  SER H CB  
434  O  OG  . SER A 56  ? 0.2245 0.1740 0.0596 0.0204  -0.0437 -0.0225 63  SER H OG  
435  N  N   . GLU A 57  ? 0.1399 0.1694 0.0368 0.0048  -0.0186 -0.0309 64  GLU H N   
436  C  CA  . GLU A 57  ? 0.1619 0.1663 0.0473 0.0030  -0.0101 -0.0388 64  GLU H CA  
437  C  C   . GLU A 57  ? 0.1477 0.1750 0.0419 -0.0004 -0.0229 -0.0229 64  GLU H C   
438  O  O   . GLU A 57  ? 0.1569 0.1641 0.0417 -0.0003 -0.0085 -0.0232 64  GLU H O   
439  C  CB  . GLU A 57  ? 0.2255 0.1900 0.0852 0.0046  -0.0119 -0.0248 64  GLU H CB  
440  C  CG  . GLU A 57  ? 0.3091 0.2253 0.1222 -0.0102 -0.0106 -0.0118 64  GLU H CG  
441  C  CD  . GLU A 57  ? 0.4274 0.2738 0.2771 -0.0056 -0.0254 0.0295  64  GLU H CD  
442  O  OE1 . GLU A 57  ? 0.4610 0.3208 0.3620 -0.0750 -0.0794 0.0966  64  GLU H OE1 
443  O  OE2 . GLU A 57  ? 0.6522 0.3488 0.4917 -0.0877 -0.0321 0.0191  64  GLU H OE2 
444  N  N   . LYS A 58  ? 0.1474 0.1771 0.0511 -0.0207 -0.0073 -0.0270 65  LYS H N   
445  C  CA  . LYS A 58  ? 0.1798 0.1844 0.0482 -0.0206 0.0167  -0.0408 65  LYS H CA  
446  C  C   . LYS A 58  ? 0.1564 0.1679 0.0286 -0.0160 0.0052  -0.0305 65  LYS H C   
447  O  O   . LYS A 58  ? 0.1695 0.2205 0.0352 -0.0251 0.0128  -0.0251 65  LYS H O   
448  C  CB  . LYS A 58  ? 0.2294 0.2081 0.0583 -0.0206 0.0053  -0.0385 65  LYS H CB  
449  C  CG  . LYS A 58  ? 0.2367 0.2163 0.0895 0.0059  0.0490  -0.0338 65  LYS H CG  
450  C  CD  . LYS A 58  ? 0.3102 0.2557 0.0946 0.0238  0.0060  -0.0290 65  LYS H CD  
451  C  CE  . LYS A 58  ? 0.2935 0.2644 0.1402 0.0288  -0.0201 -0.0311 65  LYS H CE  
452  N  NZ  . LYS A 58  ? 0.2779 0.2661 0.1523 0.0719  -0.0575 -0.0441 65  LYS H NZ  
453  N  N   . TYR A 59  ? 0.1520 0.1563 0.0288 -0.0232 0.0001  -0.0166 66  TYR H N   
454  C  CA  . TYR A 59  ? 0.1609 0.1466 0.0356 -0.0072 0.0144  -0.0027 66  TYR H CA  
455  C  C   . TYR A 59  ? 0.1474 0.1537 0.0257 -0.0056 -0.0013 -0.0001 66  TYR H C   
456  O  O   . TYR A 59  ? 0.1420 0.1551 0.0192 -0.0059 -0.0042 -0.0136 66  TYR H O   
457  C  CB  . TYR A 59  ? 0.1787 0.1569 0.0475 0.0040  -0.0027 -0.0126 66  TYR H CB  
458  C  CG  . TYR A 59  ? 0.2086 0.1789 0.1095 -0.0159 -0.0102 -0.0096 66  TYR H CG  
459  C  CD1 . TYR A 59  ? 0.2311 0.1999 0.1932 -0.0190 0.0419  -0.0478 66  TYR H CD1 
460  C  CD2 . TYR A 59  ? 0.2472 0.2068 0.1410 -0.0155 -0.0023 -0.0314 66  TYR H CD2 
461  C  CE1 . TYR A 59  ? 0.2883 0.2214 0.2652 -0.0485 0.0231  -0.0344 66  TYR H CE1 
462  C  CE2 . TYR A 59  ? 0.2774 0.1972 0.2317 -0.0091 0.0209  -0.0435 66  TYR H CE2 
463  C  CZ  . TYR A 59  ? 0.3000 0.2009 0.2573 -0.0428 0.0055  -0.0704 66  TYR H CZ  
464  O  OH  . TYR A 59  ? 0.3938 0.2211 0.4537 -0.0713 0.0183  -0.1150 66  TYR H OH  
465  N  N   . TYR A 60  ? 0.1609 0.1457 0.0166 -0.0013 0.0043  0.0063  67  TYR H N   
466  C  CA  . TYR A 60  ? 0.1550 0.1463 0.0080 -0.0052 0.0048  0.0071  67  TYR H CA  
467  C  C   . TYR A 60  ? 0.1782 0.1547 0.0087 -0.0004 0.0077  0.0034  67  TYR H C   
468  O  O   . TYR A 60  ? 0.1962 0.1510 0.0263 -0.0120 0.0054  0.0029  67  TYR H O   
469  C  CB  . TYR A 60  ? 0.1414 0.1520 0.0159 0.0017  0.0109  0.0018  67  TYR H CB  
470  C  CG  . TYR A 60  ? 0.1350 0.1467 0.0148 -0.0011 0.0069  -0.0001 67  TYR H CG  
471  C  CD1 . TYR A 60  ? 0.1336 0.1478 0.0125 0.0045  0.0032  0.0066  67  TYR H CD1 
472  C  CD2 . TYR A 60  ? 0.1380 0.1501 0.0171 -0.0168 0.0033  0.0087  67  TYR H CD2 
473  C  CE1 . TYR A 60  ? 0.1419 0.1414 0.0126 0.0015  0.0001  0.0082  67  TYR H CE1 
474  C  CE2 . TYR A 60  ? 0.1418 0.1462 0.0145 -0.0009 -0.0016 0.0012  67  TYR H CE2 
475  C  CZ  . TYR A 60  ? 0.1345 0.1405 0.0069 0.0039  -0.0022 0.0087  67  TYR H CZ  
476  O  OH  . TYR A 60  ? 0.1427 0.1483 0.0066 0.0160  0.0028  0.0064  67  TYR H OH  
477  N  N   . VAL A 61  ? 0.1871 0.1587 0.0354 0.0205  0.0103  -0.0057 68  VAL H N   
478  C  CA  . VAL A 61  ? 0.2150 0.1718 0.0195 0.0110  -0.0048 -0.0016 68  VAL H CA  
479  C  C   . VAL A 61  ? 0.2139 0.1776 0.0290 0.0153  0.0141  -0.0108 68  VAL H C   
480  O  O   . VAL A 61  ? 0.2061 0.1725 0.0287 0.0297  0.0162  -0.0068 68  VAL H O   
481  C  CB  A VAL A 61  ? 0.2059 0.1850 0.0498 0.0158  -0.0117 -0.0215 68  VAL H CB  
482  C  CB  B VAL A 61  ? 0.2446 0.2058 0.0421 -0.0017 -0.0089 -0.0110 68  VAL H CB  
483  C  CG1 A VAL A 61  ? 0.1942 0.1782 0.0741 0.0245  -0.0072 -0.0184 68  VAL H CG1 
484  C  CG1 B VAL A 61  ? 0.2342 0.1948 0.0370 -0.0070 -0.0110 -0.0144 68  VAL H CG1 
485  C  CG2 A VAL A 61  ? 0.1864 0.1528 0.0208 0.0177  -0.0168 -0.0449 68  VAL H CG2 
486  C  CG2 B VAL A 61  ? 0.2696 0.2077 0.0441 0.0006  -0.0090 -0.0072 68  VAL H CG2 
487  N  N   . ASP A 62  ? 0.2165 0.2014 0.0421 0.0206  0.0227  0.0089  69  ASP H N   
488  C  CA  . ASP A 62  ? 0.2280 0.1722 0.0660 0.0108  0.0304  0.0075  69  ASP H CA  
489  C  C   . ASP A 62  ? 0.1960 0.1710 0.0709 0.0148  0.0391  0.0138  69  ASP H C   
490  O  O   . ASP A 62  ? 0.2145 0.2126 0.1166 -0.0140 0.0002  0.0322  69  ASP H O   
491  C  CB  . ASP A 62  ? 0.2835 0.2217 0.0991 0.0129  0.0611  0.0212  69  ASP H CB  
492  C  CG  . ASP A 62  ? 0.3090 0.2345 0.2375 -0.0039 0.0577  0.0278  69  ASP H CG  
493  O  OD1 . ASP A 62  ? 0.2764 0.2598 0.3344 0.0212  0.0076  -0.0128 69  ASP H OD1 
494  O  OD2 . ASP A 62  ? 0.4053 0.2598 0.4062 0.0221  0.0907  -0.0033 69  ASP H OD2 
495  N  N   . SER A 63  ? 0.2082 0.1670 0.0369 0.0052  0.0395  0.0154  70  SER H N   
496  C  CA  . SER A 63  ? 0.2212 0.1732 0.0422 0.0180  0.0260  0.0066  70  SER H CA  
497  C  C   . SER A 63  ? 0.1978 0.1530 0.0455 0.0203  0.0316  0.0044  70  SER H C   
498  O  O   . SER A 63  ? 0.2252 0.1603 0.0620 0.0251  0.0382  -0.0009 70  SER H O   
499  C  CB  . SER A 63  ? 0.2446 0.1896 0.0295 0.0240  0.0167  -0.0120 70  SER H CB  
500  O  OG  . SER A 63  ? 0.2529 0.2260 0.0598 0.0071  0.0264  -0.0082 70  SER H OG  
501  N  N   . VAL A 64  ? 0.2004 0.1670 0.0328 0.0250  0.0234  0.0068  71  VAL H N   
502  C  CA  . VAL A 64  ? 0.1576 0.1543 0.0293 0.0046  0.0153  0.0067  71  VAL H CA  
503  C  C   . VAL A 64  ? 0.1497 0.1435 0.0302 0.0114  0.0162  0.0058  71  VAL H C   
504  O  O   . VAL A 64  ? 0.1529 0.1429 0.0309 0.0153  0.0095  0.0133  71  VAL H O   
505  C  CB  . VAL A 64  ? 0.1555 0.1518 0.0292 0.0011  0.0009  -0.0009 71  VAL H CB  
506  C  CG1 . VAL A 64  ? 0.1768 0.1748 0.0455 -0.0073 -0.0034 -0.0163 71  VAL H CG1 
507  C  CG2 . VAL A 64  ? 0.1639 0.1656 0.0155 0.0100  0.0046  0.0028  71  VAL H CG2 
508  N  N   . LYS A 65  ? 0.1769 0.1453 0.0295 0.0064  0.0131  0.0075  72  LYS H N   
509  C  CA  . LYS A 65  ? 0.1407 0.1584 0.0638 0.0044  0.0195  0.0043  72  LYS H CA  
510  C  C   . LYS A 65  ? 0.1459 0.1618 0.0410 0.0161  0.0207  0.0000  72  LYS H C   
511  O  O   . LYS A 65  ? 0.1491 0.1573 0.0982 0.0312  0.0293  -0.0059 72  LYS H O   
512  C  CB  . LYS A 65  ? 0.1688 0.1661 0.0873 0.0073  0.0082  0.0233  72  LYS H CB  
513  C  CG  . LYS A 65  ? 0.2023 0.2235 0.1633 -0.0081 -0.0271 0.0239  72  LYS H CG  
514  C  CD  . LYS A 65  ? 0.2256 0.2823 0.2414 0.0027  -0.0273 -0.0107 72  LYS H CD  
515  C  CE  . LYS A 65  ? 0.3372 0.4023 0.3182 -0.0370 -0.0679 -0.0325 72  LYS H CE  
516  N  NZ  . LYS A 65  ? 0.4127 0.4230 0.4212 -0.0206 -0.0770 -0.0051 72  LYS H NZ  
517  N  N   . GLY A 66  ? 0.1425 0.1672 0.0434 0.0125  0.0230  -0.0055 74  GLY H N   
518  C  CA  . GLY A 66  ? 0.1416 0.1758 0.0937 0.0221  0.0188  -0.0112 74  GLY H CA  
519  C  C   . GLY A 66  ? 0.1500 0.1826 0.0680 0.0214  0.0167  0.0002  74  GLY H C   
520  O  O   . GLY A 66  ? 0.1739 0.2043 0.1315 0.0275  -0.0216 0.0260  74  GLY H O   
521  N  N   . ARG A 67  ? 0.1340 0.1506 0.0495 0.0289  0.0101  0.0038  75  ARG H N   
522  C  CA  . ARG A 67  ? 0.1508 0.1456 0.0772 0.0268  0.0192  -0.0019 75  ARG H CA  
523  C  C   . ARG A 67  ? 0.1403 0.1358 0.0452 0.0202  0.0189  -0.0045 75  ARG H C   
524  O  O   . ARG A 67  ? 0.1468 0.1309 0.0440 0.0122  -0.0016 -0.0085 75  ARG H O   
525  C  CB  . ARG A 67  ? 0.1852 0.1632 0.0896 0.0267  0.0189  -0.0141 75  ARG H CB  
526  C  CG  . ARG A 67  ? 0.1947 0.1612 0.0865 0.0371  0.0122  -0.0012 75  ARG H CG  
527  C  CD  . ARG A 67  ? 0.1593 0.1737 0.0863 0.0411  0.0190  -0.0064 75  ARG H CD  
528  N  NE  . ARG A 67  ? 0.1727 0.1633 0.0632 0.0145  0.0225  -0.0078 75  ARG H NE  
529  C  CZ  . ARG A 67  ? 0.1688 0.1324 0.0512 0.0098  0.0133  -0.0077 75  ARG H CZ  
530  N  NH1 . ARG A 67  ? 0.1775 0.1356 0.0461 0.0071  0.0087  -0.0066 75  ARG H NH1 
531  N  NH2 . ARG A 67  ? 0.2195 0.1414 0.0407 -0.0104 0.0015  0.0029  75  ARG H NH2 
532  N  N   . PHE A 68  ? 0.1387 0.1437 0.0327 0.0141  0.0371  0.0146  76  PHE H N   
533  C  CA  . PHE A 68  ? 0.1349 0.1397 0.0340 0.0167  0.0237  -0.0028 76  PHE H CA  
534  C  C   . PHE A 68  ? 0.1318 0.1166 0.0436 0.0028  0.0305  -0.0010 76  PHE H C   
535  O  O   . PHE A 68  ? 0.1743 0.1377 0.0629 -0.0079 0.0463  -0.0068 76  PHE H O   
536  C  CB  . PHE A 68  ? 0.1401 0.1490 0.0351 0.0171  0.0188  -0.0065 76  PHE H CB  
537  C  CG  . PHE A 68  ? 0.1522 0.1663 0.0233 0.0024  0.0261  -0.0060 76  PHE H CG  
538  C  CD1 . PHE A 68  ? 0.1595 0.1706 0.0302 0.0000  0.0157  -0.0137 76  PHE H CD1 
539  C  CD2 . PHE A 68  ? 0.1541 0.1768 0.0521 0.0029  0.0191  -0.0074 76  PHE H CD2 
540  C  CE1 . PHE A 68  ? 0.1835 0.1739 0.0377 -0.0027 0.0166  -0.0171 76  PHE H CE1 
541  C  CE2 . PHE A 68  ? 0.1928 0.1855 0.0282 -0.0027 -0.0026 0.0075  76  PHE H CE2 
542  C  CZ  . PHE A 68  ? 0.1897 0.1713 0.0300 -0.0079 0.0105  -0.0297 76  PHE H CZ  
543  N  N   . THR A 69  ? 0.1192 0.1143 0.0294 0.0054  0.0160  -0.0065 77  THR H N   
544  C  CA  . THR A 69  ? 0.1236 0.1259 0.0199 0.0042  -0.0077 -0.0079 77  THR H CA  
545  C  C   . THR A 69  ? 0.1254 0.1227 0.0131 0.0039  -0.0120 -0.0104 77  THR H C   
546  O  O   . THR A 69  ? 0.1350 0.1141 0.0063 0.0078  -0.0018 0.0001  77  THR H O   
547  C  CB  . THR A 69  ? 0.1217 0.1541 0.0423 0.0073  -0.0257 -0.0124 77  THR H CB  
548  O  OG1 . THR A 69  ? 0.1367 0.2294 0.0893 0.0185  -0.0177 -0.0193 77  THR H OG1 
549  C  CG2 . THR A 69  ? 0.1362 0.1526 0.0575 0.0120  -0.0054 -0.0103 77  THR H CG2 
550  N  N   . ILE A 70  ? 0.1203 0.1222 0.0068 0.0034  -0.0075 0.0024  78  ILE H N   
551  C  CA  . ILE A 70  ? 0.1185 0.1174 0.0131 0.0113  -0.0274 0.0000  78  ILE H CA  
552  C  C   . ILE A 70  ? 0.1076 0.1228 0.0081 0.0108  -0.0117 0.0061  78  ILE H C   
553  O  O   . ILE A 70  ? 0.1216 0.1357 0.0127 0.0027  -0.0270 -0.0018 78  ILE H O   
554  C  CB  . ILE A 70  ? 0.1272 0.1282 0.0122 0.0163  -0.0266 -0.0031 78  ILE H CB  
555  C  CG1 . ILE A 70  ? 0.1386 0.1292 0.0132 0.0202  -0.0290 -0.0122 78  ILE H CG1 
556  C  CG2 . ILE A 70  ? 0.1309 0.1311 0.0115 0.0198  -0.0250 0.0009  78  ILE H CG2 
557  C  CD1 . ILE A 70  ? 0.1423 0.1264 0.0117 0.0227  -0.0258 -0.0117 78  ILE H CD1 
558  N  N   . SER A 71  ? 0.1232 0.1149 0.0067 0.0088  -0.0041 -0.0056 79  SER H N   
559  C  CA  . SER A 71  ? 0.1236 0.1257 0.0073 0.0139  -0.0106 -0.0031 79  SER H CA  
560  C  C   . SER A 71  ? 0.1199 0.1274 0.0151 0.0151  -0.0117 -0.0060 79  SER H C   
561  O  O   . SER A 71  ? 0.1285 0.1292 0.0067 0.0149  -0.0062 -0.0038 79  SER H O   
562  C  CB  . SER A 71  ? 0.1257 0.1230 0.0103 0.0165  -0.0182 -0.0069 79  SER H CB  
563  O  OG  . SER A 71  ? 0.1263 0.1186 0.0153 0.0097  -0.0152 0.0007  79  SER H OG  
564  N  N   . ARG A 72  ? 0.1235 0.1351 0.0115 0.0137  -0.0122 -0.0072 80  ARG H N   
565  C  CA  . ARG A 72  ? 0.1222 0.1366 0.0178 0.0189  -0.0116 -0.0126 80  ARG H CA  
566  C  C   . ARG A 72  ? 0.1194 0.1500 0.0176 0.0149  -0.0051 -0.0115 80  ARG H C   
567  O  O   . ARG A 72  ? 0.1237 0.1857 0.0252 0.0158  -0.0107 -0.0125 80  ARG H O   
568  C  CB  . ARG A 72  ? 0.1183 0.1534 0.0158 0.0233  -0.0143 -0.0024 80  ARG H CB  
569  C  CG  . ARG A 72  ? 0.1081 0.1544 0.0114 0.0249  -0.0227 -0.0067 80  ARG H CG  
570  C  CD  . ARG A 72  ? 0.1326 0.1507 0.0328 0.0260  -0.0174 -0.0065 80  ARG H CD  
571  N  NE  . ARG A 72  ? 0.1206 0.1521 0.0242 0.0278  -0.0231 -0.0040 80  ARG H NE  
572  C  CZ  . ARG A 72  ? 0.1126 0.1539 0.0095 0.0231  -0.0179 -0.0094 80  ARG H CZ  
573  N  NH1 . ARG A 72  ? 0.1398 0.1618 0.0130 0.0219  -0.0125 -0.0035 80  ARG H NH1 
574  N  NH2 . ARG A 72  ? 0.1195 0.1826 0.0084 0.0171  -0.0128 -0.0130 80  ARG H NH2 
575  N  N   . ASP A 73  ? 0.1315 0.1572 0.0086 0.0144  -0.0059 -0.0073 81  ASP H N   
576  C  CA  . ASP A 73  ? 0.1433 0.1564 0.0105 0.0169  -0.0005 -0.0150 81  ASP H CA  
577  C  C   . ASP A 73  ? 0.1502 0.1597 0.0069 0.0222  0.0052  -0.0067 81  ASP H C   
578  O  O   . ASP A 73  ? 0.1520 0.1760 0.0286 0.0101  0.0136  -0.0142 81  ASP H O   
579  C  CB  . ASP A 73  ? 0.1596 0.1711 0.0129 0.0263  0.0044  -0.0087 81  ASP H CB  
580  C  CG  . ASP A 73  ? 0.1720 0.1743 0.0160 0.0454  0.0185  -0.0193 81  ASP H CG  
581  O  OD1 . ASP A 73  ? 0.2097 0.1739 0.0452 0.0626  0.0072  -0.0083 81  ASP H OD1 
582  O  OD2 . ASP A 73  ? 0.2399 0.2096 0.0643 0.0448  0.0283  0.0185  81  ASP H OD2 
583  N  N   . ASN A 74  ? 0.1474 0.1633 0.0075 0.0204  0.0019  -0.0131 82  ASN H N   
584  C  CA  . ASN A 74  ? 0.1423 0.1696 0.0080 0.0284  -0.0059 -0.0118 82  ASN H CA  
585  C  C   . ASN A 74  ? 0.1534 0.1863 0.0210 0.0306  0.0060  -0.0223 82  ASN H C   
586  O  O   . ASN A 74  ? 0.1675 0.2035 0.0244 0.0449  0.0282  -0.0190 82  ASN H O   
587  C  CB  . ASN A 74  ? 0.1598 0.1694 0.0174 0.0271  0.0112  -0.0161 82  ASN H CB  
588  C  CG  . ASN A 74  ? 0.1679 0.1709 0.0098 0.0119  -0.0031 -0.0202 82  ASN H CG  
589  O  OD1 . ASN A 74  ? 0.1795 0.1940 0.0120 0.0131  -0.0142 -0.0229 82  ASN H OD1 
590  N  ND2 . ASN A 74  ? 0.2373 0.1933 0.0277 -0.0247 0.0030  -0.0173 82  ASN H ND2 
591  N  N   . ALA A 75  ? 0.1647 0.2016 0.0284 0.0286  0.0103  -0.0099 83  ALA H N   
592  C  CA  . ALA A 75  ? 0.1681 0.2118 0.0468 0.0308  0.0274  -0.0052 83  ALA H CA  
593  C  C   . ALA A 75  ? 0.1763 0.2194 0.0776 0.0258  0.0198  -0.0068 83  ALA H C   
594  O  O   . ALA A 75  ? 0.2298 0.2373 0.1282 0.0036  0.0659  -0.0173 83  ALA H O   
595  C  CB  . ALA A 75  ? 0.2166 0.2422 0.0302 0.0201  0.0120  -0.0066 83  ALA H CB  
596  N  N   . LYS A 76  ? 0.1599 0.2032 0.0357 0.0097  0.0372  0.0120  84  LYS H N   
597  C  CA  . LYS A 76  ? 0.1851 0.1943 0.0683 0.0109  0.0221  0.0181  84  LYS H CA  
598  C  C   . LYS A 76  ? 0.1683 0.1701 0.0630 0.0161  0.0186  -0.0016 84  LYS H C   
599  O  O   . LYS A 76  ? 0.1709 0.1706 0.0948 0.0175  0.0170  -0.0040 84  LYS H O   
600  C  CB  . LYS A 76  ? 0.2194 0.2007 0.1029 0.0233  -0.0006 0.0190  84  LYS H CB  
601  C  CG  . LYS A 76  ? 0.2562 0.2352 0.1240 0.0462  0.0044  0.0311  84  LYS H CG  
602  C  CD  . LYS A 76  ? 0.2646 0.2357 0.1964 0.0764  0.0054  0.0599  84  LYS H CD  
603  C  CE  . LYS A 76  ? 0.3542 0.3114 0.2894 0.0356  -0.0373 0.0746  84  LYS H CE  
604  N  NZ  . LYS A 76  ? 0.4276 0.3618 0.4434 0.0465  -0.0012 0.0597  84  LYS H NZ  
605  N  N   . ASN A 77  ? 0.1566 0.1931 0.0540 0.0389  -0.0008 -0.0037 85  ASN H N   
606  C  CA  . ASN A 77  ? 0.1490 0.1997 0.0608 0.0474  0.0034  0.0048  85  ASN H CA  
607  C  C   . ASN A 77  ? 0.1239 0.1797 0.0756 0.0257  -0.0030 -0.0066 85  ASN H C   
608  O  O   . ASN A 77  ? 0.1281 0.1911 0.0761 0.0384  -0.0160 -0.0054 85  ASN H O   
609  C  CB  . ASN A 77  ? 0.1594 0.2352 0.0980 0.0525  -0.0100 0.0076  85  ASN H CB  
610  C  CG  . ASN A 77  ? 0.2355 0.2882 0.1797 0.0835  0.0298  -0.0138 85  ASN H CG  
611  O  OD1 . ASN A 77  ? 0.4773 0.4840 0.3657 0.1137  0.1315  -0.0123 85  ASN H OD1 
612  N  ND2 . ASN A 77  ? 0.2773 0.2655 0.1103 0.0882  0.0056  -0.0468 85  ASN H ND2 
613  N  N   . SER A 78  ? 0.1228 0.1464 0.0638 0.0203  -0.0078 -0.0023 86  SER H N   
614  C  CA  . SER A 78  ? 0.1237 0.1346 0.0580 0.0114  -0.0053 -0.0044 86  SER H CA  
615  C  C   . SER A 78  ? 0.1235 0.1305 0.0432 0.0200  -0.0094 -0.0019 86  SER H C   
616  O  O   . SER A 78  ? 0.1274 0.1461 0.0299 0.0084  0.0030  -0.0040 86  SER H O   
617  C  CB  . SER A 78  ? 0.1388 0.1433 0.0710 0.0070  -0.0028 -0.0002 86  SER H CB  
618  O  OG  . SER A 78  ? 0.1523 0.1628 0.0731 0.0003  0.0035  0.0107  86  SER H OG  
619  N  N   . LEU A 79  ? 0.1069 0.1339 0.0444 0.0093  -0.0182 -0.0128 87  LEU H N   
620  C  CA  . LEU A 79  ? 0.1125 0.1280 0.0242 0.0212  -0.0196 -0.0043 87  LEU H CA  
621  C  C   . LEU A 79  ? 0.1059 0.1242 0.0097 0.0160  -0.0177 0.0019  87  LEU H C   
622  O  O   . LEU A 79  ? 0.1261 0.1374 0.0373 0.0157  -0.0073 0.0017  87  LEU H O   
623  C  CB  . LEU A 79  ? 0.1208 0.1240 0.0242 0.0232  -0.0206 -0.0033 87  LEU H CB  
624  C  CG  . LEU A 79  ? 0.1346 0.1377 0.0144 0.0160  -0.0224 -0.0051 87  LEU H CG  
625  C  CD1 . LEU A 79  ? 0.1362 0.1417 0.0203 0.0203  -0.0206 0.0059  87  LEU H CD1 
626  C  CD2 . LEU A 79  ? 0.1472 0.1487 0.0296 0.0224  -0.0385 -0.0062 87  LEU H CD2 
627  N  N   . TYR A 80  ? 0.1086 0.1306 0.0074 0.0123  -0.0078 0.0066  88  TYR H N   
628  C  CA  . TYR A 80  ? 0.0962 0.1214 0.0076 0.0106  -0.0094 0.0054  88  TYR H CA  
629  C  C   . TYR A 80  ? 0.1017 0.1179 0.0072 0.0128  -0.0093 -0.0017 88  TYR H C   
630  O  O   . TYR A 80  ? 0.1192 0.1268 0.0088 0.0151  -0.0164 -0.0057 88  TYR H O   
631  C  CB  . TYR A 80  ? 0.1017 0.1301 0.0128 0.0155  -0.0195 0.0126  88  TYR H CB  
632  C  CG  . TYR A 80  ? 0.1067 0.1306 0.0185 0.0068  -0.0128 0.0082  88  TYR H CG  
633  C  CD1 . TYR A 80  ? 0.1146 0.1304 0.0238 0.0112  -0.0130 0.0067  88  TYR H CD1 
634  C  CD2 . TYR A 80  ? 0.1080 0.1365 0.0064 0.0122  0.0000  0.0041  88  TYR H CD2 
635  C  CE1 . TYR A 80  ? 0.1297 0.1436 0.0233 0.0216  -0.0087 0.0021  88  TYR H CE1 
636  C  CE2 . TYR A 80  ? 0.1170 0.1549 0.0073 0.0073  0.0027  -0.0116 88  TYR H CE2 
637  C  CZ  . TYR A 80  ? 0.1141 0.1576 0.0117 0.0219  -0.0008 -0.0024 88  TYR H CZ  
638  O  OH  . TYR A 80  ? 0.1432 0.1979 0.0229 0.0225  0.0211  0.0009  88  TYR H OH  
639  N  N   . LEU A 81  ? 0.1038 0.1125 0.0186 0.0123  -0.0108 0.0041  89  LEU H N   
640  C  CA  . LEU A 81  ? 0.1128 0.1213 0.0110 0.0109  -0.0093 -0.0013 89  LEU H CA  
641  C  C   . LEU A 81  ? 0.1200 0.1231 0.0063 0.0143  0.0001  0.0009  89  LEU H C   
642  O  O   . LEU A 81  ? 0.1177 0.1416 0.0349 0.0005  -0.0076 -0.0031 89  LEU H O   
643  C  CB  . LEU A 81  ? 0.1286 0.1337 0.0101 0.0149  -0.0108 -0.0070 89  LEU H CB  
644  C  CG  . LEU A 81  ? 0.1285 0.1495 0.0093 0.0185  -0.0176 -0.0110 89  LEU H CG  
645  C  CD1 . LEU A 81  ? 0.1383 0.1622 0.0089 0.0165  -0.0086 -0.0187 89  LEU H CD1 
646  C  CD2 . LEU A 81  ? 0.1524 0.1595 0.0099 0.0128  -0.0225 -0.0065 89  LEU H CD2 
647  N  N   . GLN A 82  ? 0.1181 0.1231 0.0066 0.0120  -0.0053 -0.0026 90  GLN H N   
648  C  CA  . GLN A 82  ? 0.1222 0.1320 0.0077 0.0214  -0.0058 -0.0127 90  GLN H CA  
649  C  C   . GLN A 82  ? 0.1240 0.1210 0.0085 0.0145  -0.0008 -0.0160 90  GLN H C   
650  O  O   . GLN A 82  ? 0.1506 0.1263 0.0205 -0.0056 0.0036  -0.0300 90  GLN H O   
651  C  CB  . GLN A 82  ? 0.1312 0.1472 0.0092 0.0256  -0.0086 -0.0196 90  GLN H CB  
652  C  CG  . GLN A 82  ? 0.1393 0.1619 0.0087 0.0369  -0.0069 -0.0194 90  GLN H CG  
653  C  CD  . GLN A 82  ? 0.1360 0.1529 0.0109 0.0357  -0.0145 -0.0242 90  GLN H CD  
654  O  OE1 . GLN A 82  ? 0.1286 0.1532 0.0228 0.0226  -0.0105 -0.0165 90  GLN H OE1 
655  N  NE2 . GLN A 82  ? 0.1742 0.1462 0.0091 0.0479  -0.0026 -0.0194 90  GLN H NE2 
656  N  N   . MET A 83  ? 0.1405 0.1262 0.0087 0.0185  0.0103  -0.0124 91  MET H N   
657  C  CA  . MET A 83  ? 0.1474 0.1437 0.0104 0.0188  -0.0079 -0.0232 91  MET H CA  
658  C  C   . MET A 83  ? 0.1503 0.1394 0.0228 0.0168  0.0023  -0.0202 91  MET H C   
659  O  O   . MET A 83  ? 0.1511 0.1377 0.0664 0.0049  0.0229  -0.0241 91  MET H O   
660  C  CB  A MET A 83  ? 0.1552 0.1639 0.0092 0.0153  -0.0078 -0.0206 91  MET H CB  
661  C  CB  B MET A 83  ? 0.1696 0.1720 0.0125 0.0154  -0.0130 -0.0304 91  MET H CB  
662  C  CG  A MET A 83  ? 0.1504 0.1645 0.0082 0.0097  -0.0102 -0.0143 91  MET H CG  
663  C  CG  B MET A 83  ? 0.1968 0.1768 0.0586 0.0150  -0.0103 -0.0215 91  MET H CG  
664  S  SD  A MET A 83  ? 0.1200 0.1507 0.0067 0.0024  -0.0033 0.0066  91  MET H SD  
665  S  SD  B MET A 83  ? 0.2064 0.2286 0.1491 0.0054  -0.0476 0.0084  91  MET H SD  
666  C  CE  A MET A 83  ? 0.1235 0.1354 0.0086 0.0065  -0.0162 0.0016  91  MET H CE  
667  C  CE  B MET A 83  ? 0.1582 0.1837 0.1191 0.0179  -0.0482 -0.0135 91  MET H CE  
668  N  N   . ASN A 84  ? 0.1386 0.1245 0.0106 0.0225  0.0075  -0.0111 92  ASN H N   
669  C  CA  . ASN A 84  ? 0.1369 0.1463 0.0180 0.0236  -0.0007 -0.0286 92  ASN H CA  
670  C  C   . ASN A 84  ? 0.1433 0.1326 0.0198 0.0219  0.0075  -0.0177 92  ASN H C   
671  O  O   . ASN A 84  ? 0.1444 0.1428 0.0334 0.0268  0.0001  -0.0056 92  ASN H O   
672  C  CB  . ASN A 84  ? 0.1511 0.1566 0.0293 0.0336  -0.0140 -0.0410 92  ASN H CB  
673  C  CG  . ASN A 84  ? 0.1742 0.1986 0.0419 0.0199  0.0008  -0.0457 92  ASN H CG  
674  O  OD1 . ASN A 84  ? 0.1792 0.2412 0.0431 0.0279  -0.0069 -0.0518 92  ASN H OD1 
675  N  ND2 . ASN A 84  ? 0.2299 0.2445 0.0295 0.0152  0.0087  -0.0527 92  ASN H ND2 
676  N  N   . SER A 85  ? 0.1533 0.1285 0.0084 0.0250  0.0071  -0.0130 93  SER H N   
677  C  CA  . SER A 85  ? 0.1238 0.1217 0.0144 0.0174  0.0033  -0.0294 93  SER H CA  
678  C  C   . SER A 85  ? 0.1317 0.1275 0.0292 0.0134  -0.0067 -0.0072 93  SER H C   
679  O  O   . SER A 85  ? 0.1597 0.1391 0.0173 0.0131  0.0069  -0.0174 93  SER H O   
680  C  CB  . SER A 85  ? 0.1357 0.1369 0.0266 0.0023  -0.0029 -0.0249 93  SER H CB  
681  O  OG  . SER A 85  ? 0.1500 0.1706 0.0468 0.0037  -0.0149 -0.0299 93  SER H OG  
682  N  N   . LEU A 86  ? 0.1288 0.1342 0.0114 0.0143  0.0005  -0.0106 94  LEU H N   
683  C  CA  . LEU A 86  ? 0.1382 0.1414 0.0287 0.0131  -0.0085 -0.0198 94  LEU H CA  
684  C  C   . LEU A 86  ? 0.1442 0.1402 0.0453 0.0228  -0.0011 -0.0263 94  LEU H C   
685  O  O   . LEU A 86  ? 0.1664 0.1539 0.0703 0.0467  -0.0035 -0.0241 94  LEU H O   
686  C  CB  . LEU A 86  ? 0.1374 0.1513 0.0367 0.0128  -0.0121 -0.0303 94  LEU H CB  
687  C  CG  . LEU A 86  ? 0.1609 0.1523 0.0500 0.0104  0.0078  -0.0266 94  LEU H CG  
688  C  CD1 . LEU A 86  ? 0.1618 0.1810 0.0614 0.0030  -0.0001 -0.0089 94  LEU H CD1 
689  C  CD2 . LEU A 86  ? 0.2107 0.1690 0.0958 0.0225  0.0201  -0.0183 94  LEU H CD2 
690  N  N   . ARG A 87  ? 0.1608 0.1654 0.0454 0.0276  -0.0113 -0.0410 95  ARG H N   
691  C  CA  . ARG A 87  ? 0.1863 0.2069 0.0454 0.0147  0.0081  -0.0496 95  ARG H CA  
692  C  C   . ARG A 87  ? 0.1818 0.1919 0.0263 0.0014  0.0121  -0.0425 95  ARG H C   
693  O  O   . ARG A 87  ? 0.1830 0.1955 0.0213 0.0161  -0.0072 -0.0257 95  ARG H O   
694  C  CB  . ARG A 87  ? 0.2060 0.2680 0.0400 -0.0039 0.0121  -0.0609 95  ARG H CB  
695  C  CG  . ARG A 87  ? 0.2123 0.2842 0.0946 0.0096  0.0178  -0.0387 95  ARG H CG  
696  C  CD  . ARG A 87  ? 0.2455 0.3074 0.1060 -0.0098 0.0191  -0.0434 95  ARG H CD  
697  N  NE  . ARG A 87  ? 0.2348 0.3369 0.1146 -0.0192 0.0454  -0.0395 95  ARG H NE  
698  C  CZ  . ARG A 87  ? 0.2053 0.3671 0.1074 0.0186  -0.0071 0.0182  95  ARG H CZ  
699  N  NH1 . ARG A 87  ? 0.2506 0.3303 0.1826 0.0086  0.0360  0.0242  95  ARG H NH1 
700  N  NH2 . ARG A 87  ? 0.2252 0.4699 0.0836 0.0582  0.0624  0.0033  95  ARG H NH2 
701  N  N   . ALA A 88  ? 0.1923 0.2386 0.0642 0.0106  0.0228  -0.0841 96  ALA H N   
702  C  CA  . ALA A 88  ? 0.2022 0.2636 0.0838 -0.0031 0.0032  -0.0872 96  ALA H CA  
703  C  C   . ALA A 88  ? 0.2122 0.2840 0.0278 -0.0098 -0.0239 -0.0708 96  ALA H C   
704  O  O   . ALA A 88  ? 0.2160 0.3343 0.0588 0.0034  -0.0204 -0.0964 96  ALA H O   
705  C  CB  . ALA A 88  ? 0.2249 0.2960 0.1276 -0.0150 0.0056  -0.1238 96  ALA H CB  
706  N  N   . GLU A 89  ? 0.2585 0.3301 0.0082 -0.0127 0.0036  -0.0247 97  GLU H N   
707  C  CA  . GLU A 89  ? 0.2847 0.3442 0.0902 -0.0284 -0.0070 0.0371  97  GLU H CA  
708  C  C   . GLU A 89  ? 0.2582 0.2593 0.0691 -0.0243 -0.0211 0.0583  97  GLU H C   
709  O  O   . GLU A 89  ? 0.3194 0.3141 0.1304 -0.0527 -0.0674 0.0903  97  GLU H O   
710  C  CB  . GLU A 89  ? 0.3075 0.4243 0.1190 -0.0382 0.0490  0.0663  97  GLU H CB  
711  C  CG  . GLU A 89  ? 0.3112 0.4514 0.2762 -0.0207 -0.0268 0.0768  97  GLU H CG  
712  C  CD  . GLU A 89  ? 0.3574 0.3937 0.4187 -0.0142 0.0253  0.0499  97  GLU H CD  
713  O  OE1 . GLU A 89  ? 0.2686 0.3374 0.6231 0.0410  0.0278  0.1075  97  GLU H OE1 
714  O  OE2 . GLU A 89  ? 0.3962 0.4190 0.2137 0.0413  0.0048  -0.0130 97  GLU H OE2 
715  N  N   . ASP A 90  ? 0.2267 0.1821 0.0369 -0.0064 -0.0122 0.0067  98  ASP H N   
716  C  CA  . ASP A 90  ? 0.1956 0.1562 0.0525 0.0068  -0.0305 0.0000  98  ASP H CA  
717  C  C   . ASP A 90  ? 0.1726 0.1411 0.0603 0.0175  -0.0322 -0.0106 98  ASP H C   
718  O  O   . ASP A 90  ? 0.1724 0.1613 0.0567 0.0285  -0.0455 -0.0135 98  ASP H O   
719  C  CB  . ASP A 90  ? 0.1886 0.1447 0.0515 0.0041  -0.0339 -0.0152 98  ASP H CB  
720  C  CG  . ASP A 90  ? 0.1947 0.1343 0.0675 -0.0032 -0.0275 -0.0302 98  ASP H CG  
721  O  OD1 . ASP A 90  ? 0.1908 0.1563 0.0966 -0.0068 -0.0297 0.0126  98  ASP H OD1 
722  O  OD2 . ASP A 90  ? 0.1858 0.1479 0.0794 0.0050  -0.0088 -0.0128 98  ASP H OD2 
723  N  N   . THR A 91  ? 0.1700 0.1362 0.0457 0.0126  -0.0181 -0.0104 99  THR H N   
724  C  CA  . THR A 91  ? 0.1842 0.1257 0.0352 0.0111  -0.0135 -0.0127 99  THR H CA  
725  C  C   . THR A 91  ? 0.1977 0.1211 0.0495 0.0093  -0.0257 -0.0207 99  THR H C   
726  O  O   . THR A 91  ? 0.2119 0.1764 0.0385 0.0228  -0.0321 0.0048  99  THR H O   
727  C  CB  . THR A 91  ? 0.2059 0.1370 0.0397 0.0001  -0.0222 -0.0143 99  THR H CB  
728  O  OG1 . THR A 91  ? 0.1826 0.1478 0.0432 0.0101  -0.0200 -0.0125 99  THR H OG1 
729  C  CG2 . THR A 91  ? 0.1999 0.1343 0.0417 -0.0007 -0.0293 -0.0292 99  THR H CG2 
730  N  N   . ALA A 92  ? 0.1756 0.1288 0.0526 0.0021  -0.0381 -0.0125 100 ALA H N   
731  C  CA  . ALA A 92  ? 0.1749 0.1266 0.0540 0.0062  -0.0535 -0.0092 100 ALA H CA  
732  C  C   . ALA A 92  ? 0.1697 0.1158 0.0616 0.0171  -0.0483 -0.0051 100 ALA H C   
733  O  O   . ALA A 92  ? 0.1635 0.1236 0.0541 0.0162  -0.0470 0.0013  100 ALA H O   
734  C  CB  . ALA A 92  ? 0.1701 0.1208 0.0852 0.0136  -0.0453 -0.0145 100 ALA H CB  
735  N  N   . VAL A 93  ? 0.1642 0.1314 0.0565 0.0097  -0.0419 -0.0033 101 VAL H N   
736  C  CA  . VAL A 93  ? 0.1744 0.1197 0.0644 0.0138  -0.0379 0.0096  101 VAL H CA  
737  C  C   . VAL A 93  ? 0.1587 0.1223 0.0454 0.0171  -0.0329 0.0025  101 VAL H C   
738  O  O   . VAL A 93  ? 0.2060 0.1164 0.0395 0.0108  -0.0285 0.0021  101 VAL H O   
739  C  CB  . VAL A 93  ? 0.1799 0.1253 0.0863 0.0134  -0.0481 0.0119  101 VAL H CB  
740  C  CG1 . VAL A 93  ? 0.1712 0.1607 0.1115 0.0291  -0.0507 0.0126  101 VAL H CG1 
741  C  CG2 . VAL A 93  ? 0.1682 0.1431 0.1083 -0.0039 -0.0720 0.0123  101 VAL H CG2 
742  N  N   . TYR A 94  ? 0.1669 0.1265 0.0403 0.0107  -0.0335 0.0083  102 TYR H N   
743  C  CA  . TYR A 94  ? 0.1463 0.1273 0.0443 0.0103  -0.0298 0.0042  102 TYR H CA  
744  C  C   . TYR A 94  ? 0.1546 0.1071 0.0485 0.0141  -0.0306 0.0027  102 TYR H C   
745  O  O   . TYR A 94  ? 0.1734 0.1172 0.0741 0.0168  -0.0129 0.0216  102 TYR H O   
746  C  CB  . TYR A 94  ? 0.1391 0.1332 0.0397 0.0074  -0.0320 -0.0012 102 TYR H CB  
747  C  CG  . TYR A 94  ? 0.1470 0.1217 0.0187 0.0213  -0.0390 -0.0070 102 TYR H CG  
748  C  CD1 . TYR A 94  ? 0.1443 0.1169 0.0362 0.0212  -0.0440 -0.0101 102 TYR H CD1 
749  C  CD2 . TYR A 94  ? 0.1536 0.1323 0.0280 0.0221  -0.0426 -0.0146 102 TYR H CD2 
750  C  CE1 . TYR A 94  ? 0.1549 0.1289 0.0246 0.0233  -0.0321 -0.0062 102 TYR H CE1 
751  C  CE2 . TYR A 94  ? 0.1499 0.1408 0.0396 0.0154  -0.0404 -0.0119 102 TYR H CE2 
752  C  CZ  . TYR A 94  ? 0.1438 0.1346 0.0225 0.0209  -0.0399 -0.0064 102 TYR H CZ  
753  O  OH  . TYR A 94  ? 0.1525 0.1486 0.0646 0.0235  -0.0244 -0.0156 102 TYR H OH  
754  N  N   . TYR A 95  ? 0.1575 0.1087 0.0277 0.0163  -0.0309 -0.0002 103 TYR H N   
755  C  CA  . TYR A 95  ? 0.1411 0.1097 0.0309 0.0188  -0.0382 0.0091  103 TYR H CA  
756  C  C   . TYR A 95  ? 0.1453 0.1262 0.0230 0.0112  -0.0305 0.0053  103 TYR H C   
757  O  O   . TYR A 95  ? 0.1545 0.1327 0.0308 0.0065  -0.0303 -0.0077 103 TYR H O   
758  C  CB  . TYR A 95  ? 0.1527 0.1196 0.0385 0.0168  -0.0483 0.0125  103 TYR H CB  
759  C  CG  . TYR A 95  ? 0.1652 0.1290 0.0603 0.0150  -0.0570 0.0028  103 TYR H CG  
760  C  CD1 . TYR A 95  ? 0.1885 0.1407 0.0811 0.0059  -0.0582 0.0030  103 TYR H CD1 
761  C  CD2 . TYR A 95  ? 0.1726 0.1600 0.0605 0.0065  -0.0605 -0.0132 103 TYR H CD2 
762  C  CE1 . TYR A 95  ? 0.1825 0.1501 0.1011 0.0097  -0.0725 -0.0012 103 TYR H CE1 
763  C  CE2 . TYR A 95  ? 0.1882 0.1708 0.0849 0.0051  -0.0765 -0.0261 103 TYR H CE2 
764  C  CZ  . TYR A 95  ? 0.1994 0.1438 0.0899 0.0016  -0.0848 -0.0084 103 TYR H CZ  
765  O  OH  . TYR A 95  ? 0.2615 0.1928 0.1196 -0.0177 -0.1177 -0.0230 103 TYR H OH  
766  N  N   . CYS A 96  ? 0.1520 0.1114 0.0325 0.0174  -0.0138 0.0167  104 CYS H N   
767  C  CA  . CYS A 96  ? 0.1456 0.1182 0.0345 0.0161  -0.0164 0.0070  104 CYS H CA  
768  C  C   . CYS A 96  ? 0.1463 0.1193 0.0428 0.0136  -0.0158 0.0014  104 CYS H C   
769  O  O   . CYS A 96  ? 0.1476 0.1251 0.0801 0.0087  -0.0280 0.0031  104 CYS H O   
770  C  CB  . CYS A 96  ? 0.1732 0.1397 0.0383 0.0262  -0.0025 -0.0005 104 CYS H CB  
771  S  SG  . CYS A 96  ? 0.2060 0.1755 0.0832 0.0207  0.0004  0.0114  104 CYS H SG  
772  N  N   . ALA A 97  ? 0.1432 0.1107 0.0327 0.0198  -0.0238 -0.0039 105 ALA H N   
773  C  CA  . ALA A 97  ? 0.1599 0.1150 0.0462 0.0199  -0.0228 0.0022  105 ALA H CA  
774  C  C   . ALA A 97  ? 0.1481 0.1275 0.0344 0.0189  -0.0283 -0.0042 105 ALA H C   
775  O  O   . ALA A 97  ? 0.1533 0.1475 0.1284 0.0183  -0.0234 -0.0278 105 ALA H O   
776  C  CB  . ALA A 97  ? 0.1679 0.1263 0.0511 0.0118  -0.0212 -0.0049 105 ALA H CB  
777  N  N   . THR A 98  ? 0.1285 0.1298 0.0259 0.0157  -0.0296 -0.0086 106 THR H N   
778  C  CA  . THR A 98  ? 0.1427 0.1219 0.0117 0.0265  -0.0271 -0.0040 106 THR H CA  
779  C  C   . THR A 98  ? 0.1453 0.1265 0.0154 0.0230  -0.0347 0.0014  106 THR H C   
780  O  O   . THR A 98  ? 0.1513 0.1447 0.0131 0.0213  -0.0312 -0.0087 106 THR H O   
781  C  CB  . THR A 98  ? 0.1433 0.1262 0.0189 0.0237  -0.0345 0.0031  106 THR H CB  
782  O  OG1 . THR A 98  ? 0.1621 0.1246 0.0146 0.0161  -0.0185 -0.0002 106 THR H OG1 
783  C  CG2 . THR A 98  ? 0.1583 0.1276 0.0138 0.0289  -0.0316 0.0029  106 THR H CG2 
784  N  N   . ASP A 99  ? 0.1523 0.1369 0.0112 0.0057  -0.0252 0.0077  107 ASP H N   
785  C  CA  A ASP A 99  ? 0.1513 0.1447 0.0235 0.0115  -0.0241 0.0117  107 ASP H CA  
786  C  CA  B ASP A 99  ? 0.1512 0.1471 0.0204 0.0100  -0.0205 0.0196  107 ASP H CA  
787  C  C   . ASP A 99  ? 0.1481 0.1355 0.0138 0.0141  -0.0214 0.0136  107 ASP H C   
788  O  O   . ASP A 99  ? 0.1525 0.1404 0.0079 0.0292  -0.0106 0.0084  107 ASP H O   
789  C  CB  A ASP A 99  ? 0.1766 0.1642 0.0574 -0.0023 -0.0409 0.0050  107 ASP H CB  
790  C  CB  B ASP A 99  ? 0.1753 0.1589 0.0462 -0.0053 -0.0293 0.0291  107 ASP H CB  
791  C  CG  A ASP A 99  ? 0.1997 0.1785 0.0844 0.0112  -0.0478 0.0095  107 ASP H CG  
792  C  CG  B ASP A 99  ? 0.1986 0.1802 0.0695 -0.0021 -0.0296 0.0524  107 ASP H CG  
793  O  OD1 A ASP A 99  ? 0.1603 0.1941 0.0807 0.0000  -0.0554 0.0082  107 ASP H OD1 
794  O  OD1 B ASP A 99  ? 0.2003 0.1609 0.0490 0.0048  -0.0215 0.0554  107 ASP H OD1 
795  O  OD2 A ASP A 99  ? 0.2898 0.2205 0.1453 -0.0034 -0.0413 -0.0101 107 ASP H OD2 
796  O  OD2 B ASP A 99  ? 0.2244 0.2413 0.1334 -0.0254 -0.0217 0.0853  107 ASP H OD2 
797  N  N   . PRO A 100 ? 0.1403 0.1454 0.0091 0.0279  -0.0065 0.0089  108 PRO H N   
798  C  CA  . PRO A 100 ? 0.1397 0.1446 0.0066 0.0287  -0.0028 0.0048  108 PRO H CA  
799  C  C   . PRO A 100 ? 0.1561 0.1303 0.0078 0.0244  -0.0042 0.0124  108 PRO H C   
800  O  O   . PRO A 100 ? 0.1569 0.1589 0.0071 0.0291  -0.0112 -0.0011 108 PRO H O   
801  C  CB  . PRO A 100 ? 0.1734 0.1770 0.0066 0.0359  -0.0031 0.0060  108 PRO H CB  
802  C  CG  . PRO A 100 ? 0.1724 0.1746 0.0243 0.0379  -0.0042 0.0138  108 PRO H CG  
803  C  CD  . PRO A 100 ? 0.1445 0.1540 0.0257 0.0237  0.0000  0.0093  108 PRO H CD  
804  N  N   . ASP A 101 ? 0.1744 0.1311 0.0067 0.0297  -0.0086 -0.0029 109 ASP H N   
805  C  CA  . ASP A 101 ? 0.1895 0.1323 0.0194 0.0260  0.0118  -0.0034 109 ASP H CA  
806  C  C   . ASP A 101 ? 0.1888 0.1286 0.0090 0.0143  -0.0042 -0.0059 109 ASP H C   
807  O  O   . ASP A 101 ? 0.2179 0.1398 0.0245 0.0292  -0.0033 -0.0118 109 ASP H O   
808  C  CB  A ASP A 101 ? 0.1975 0.1510 0.0312 0.0182  0.0217  -0.0215 109 ASP H CB  
809  C  CB  B ASP A 101 ? 0.2352 0.1567 0.0539 0.0127  0.0061  -0.0091 109 ASP H CB  
810  C  CG  A ASP A 101 ? 0.1994 0.1629 0.0580 -0.0018 0.0483  -0.0330 109 ASP H CG  
811  C  CG  B ASP A 101 ? 0.2886 0.1947 0.1040 -0.0062 -0.0267 -0.0074 109 ASP H CG  
812  O  OD1 A ASP A 101 ? 0.1824 0.1828 0.1105 -0.0034 0.0463  -0.1097 109 ASP H OD1 
813  O  OD1 B ASP A 101 ? 0.3334 0.2227 0.1269 -0.0403 -0.0159 -0.0022 109 ASP H OD1 
814  O  OD2 A ASP A 101 ? 0.2322 0.2298 0.0741 -0.0320 0.0167  -0.0494 109 ASP H OD2 
815  O  OD2 B ASP A 101 ? 0.3801 0.2146 0.2402 -0.0211 -0.0256 -0.0285 109 ASP H OD2 
816  N  N   . VAL A 102 ? 0.1570 0.1314 0.0087 0.0237  -0.0130 -0.0100 110 VAL H N   
817  C  CA  . VAL A 102 ? 0.1531 0.1389 0.0079 0.0195  -0.0092 -0.0129 110 VAL H CA  
818  C  C   . VAL A 102 ? 0.1532 0.1319 0.0098 0.0292  -0.0088 -0.0208 110 VAL H C   
819  O  O   . VAL A 102 ? 0.1704 0.1553 0.0085 0.0446  -0.0135 -0.0161 110 VAL H O   
820  C  CB  . VAL A 102 ? 0.1528 0.1303 0.0068 0.0108  -0.0079 -0.0033 110 VAL H CB  
821  C  CG1 . VAL A 102 ? 0.1603 0.1250 0.0252 0.0155  -0.0133 -0.0106 110 VAL H CG1 
822  C  CG2 . VAL A 102 ? 0.1939 0.1633 0.0167 0.0150  0.0050  0.0033  110 VAL H CG2 
823  N  N   . GLY A 103 ? 0.1433 0.1409 0.0074 0.0280  -0.0060 -0.0119 113 GLY H N   
824  C  CA  . GLY A 103 ? 0.1491 0.1408 0.0071 0.0377  -0.0030 -0.0103 113 GLY H CA  
825  C  C   . GLY A 103 ? 0.1557 0.1473 0.0073 0.0403  0.0036  -0.0097 113 GLY H C   
826  O  O   . GLY A 103 ? 0.1765 0.1563 0.0103 0.0354  -0.0113 0.0009  113 GLY H O   
827  N  N   . LEU A 104 ? 0.1499 0.1425 0.0076 0.0325  -0.0103 -0.0108 114 LEU H N   
828  C  CA  . LEU A 104 ? 0.1610 0.1484 0.0156 0.0262  -0.0071 -0.0046 114 LEU H CA  
829  C  C   . LEU A 104 ? 0.1417 0.1416 0.0078 0.0218  -0.0019 0.0055  114 LEU H C   
830  O  O   . LEU A 104 ? 0.1391 0.1543 0.0069 0.0352  -0.0079 0.0019  114 LEU H O   
831  C  CB  . LEU A 104 ? 0.1919 0.1704 0.0185 0.0156  -0.0037 0.0030  114 LEU H CB  
832  C  CG  . LEU A 104 ? 0.2626 0.1928 0.0325 0.0137  0.0089  -0.0136 114 LEU H CG  
833  C  CD1 . LEU A 104 ? 0.3196 0.2053 0.0349 -0.0106 0.0109  0.0039  114 LEU H CD1 
834  C  CD2 . LEU A 104 ? 0.2975 0.2236 0.0668 0.0329  0.0213  -0.0621 114 LEU H CD2 
835  N  N   . SER A 105 ? 0.1474 0.1534 0.0066 0.0156  -0.0022 -0.0065 115 SER H N   
836  C  CA  . SER A 105 ? 0.1388 0.1597 0.0065 0.0169  -0.0034 -0.0053 115 SER H CA  
837  C  C   . SER A 105 ? 0.1593 0.1578 0.0069 0.0246  -0.0060 -0.0079 115 SER H C   
838  O  O   . SER A 105 ? 0.1930 0.1884 0.0101 0.0376  0.0012  -0.0033 115 SER H O   
839  C  CB  A SER A 105 ? 0.1339 0.1698 0.0071 0.0072  -0.0083 -0.0021 115 SER H CB  
840  C  CB  B SER A 105 ? 0.1421 0.1731 0.0129 0.0151  -0.0091 -0.0022 115 SER H CB  
841  O  OG  A SER A 105 ? 0.1390 0.1871 0.0377 -0.0050 -0.0054 0.0165  115 SER H OG  
842  O  OG  B SER A 105 ? 0.1586 0.1866 0.0319 0.0192  -0.0075 -0.0111 115 SER H OG  
843  N  N   . ASP A 106 ? 0.1669 0.1752 0.0219 0.0053  0.0000  0.0182  116 ASP H N   
844  C  CA  . ASP A 106 ? 0.1525 0.1884 0.0477 0.0007  -0.0107 0.0213  116 ASP H CA  
845  C  C   . ASP A 106 ? 0.1511 0.1924 0.0424 0.0000  -0.0155 0.0377  116 ASP H C   
846  O  O   . ASP A 106 ? 0.2123 0.2740 0.0348 -0.0197 -0.0251 0.0473  116 ASP H O   
847  C  CB  A ASP A 106 ? 0.1614 0.2136 0.0568 -0.0107 -0.0127 0.0444  116 ASP H CB  
848  C  CB  B ASP A 106 ? 0.1654 0.2307 0.0945 -0.0052 -0.0044 0.0322  116 ASP H CB  
849  C  CG  A ASP A 106 ? 0.1709 0.2227 0.0562 -0.0254 0.0014  0.0508  116 ASP H CG  
850  C  CG  B ASP A 106 ? 0.1871 0.2759 0.1555 -0.0167 -0.0142 0.0111  116 ASP H CG  
851  O  OD1 A ASP A 106 ? 0.1784 0.2385 0.0482 -0.0202 0.0211  0.0207  116 ASP H OD1 
852  O  OD1 B ASP A 106 ? 0.2171 0.3666 0.2121 -0.0269 0.0340  0.0035  116 ASP H OD1 
853  O  OD2 A ASP A 106 ? 0.2041 0.2619 0.0860 -0.0519 0.0132  0.0687  116 ASP H OD2 
854  O  OD2 B ASP A 106 ? 0.2490 0.3982 0.2487 -0.0154 0.0548  -0.0202 116 ASP H OD2 
855  N  N   . SER A 107 ? 0.1351 0.1566 0.0364 0.0112  -0.0179 0.0059  117 SER H N   
856  C  CA  . SER A 107 ? 0.1409 0.1469 0.0396 0.0132  -0.0253 -0.0027 117 SER H CA  
857  C  C   . SER A 107 ? 0.1333 0.1339 0.0370 0.0076  -0.0195 0.0088  117 SER H C   
858  O  O   . SER A 107 ? 0.1350 0.1485 0.0367 0.0139  -0.0200 -0.0019 117 SER H O   
859  C  CB  . SER A 107 ? 0.1638 0.1498 0.0834 0.0252  -0.0339 0.0024  117 SER H CB  
860  O  OG  . SER A 107 ? 0.1613 0.1660 0.1005 0.0227  -0.0185 0.0324  117 SER H OG  
861  N  N   . TRP A 108 ? 0.1375 0.1403 0.0258 0.0211  -0.0333 -0.0002 118 TRP H N   
862  C  CA  . TRP A 108 ? 0.1561 0.1241 0.0255 0.0214  -0.0166 -0.0037 118 TRP H CA  
863  C  C   . TRP A 108 ? 0.1590 0.1378 0.0486 0.0165  -0.0181 0.0104  118 TRP H C   
864  O  O   . TRP A 108 ? 0.1697 0.1570 0.0808 0.0218  -0.0332 0.0195  118 TRP H O   
865  C  CB  . TRP A 108 ? 0.1683 0.1362 0.0253 0.0176  -0.0137 -0.0037 118 TRP H CB  
866  C  CG  . TRP A 108 ? 0.1539 0.1357 0.0281 0.0182  -0.0204 -0.0022 118 TRP H CG  
867  C  CD1 . TRP A 108 ? 0.1666 0.1400 0.0141 0.0249  -0.0143 0.0077  118 TRP H CD1 
868  C  CD2 . TRP A 108 ? 0.1503 0.1245 0.0183 0.0212  -0.0318 -0.0128 118 TRP H CD2 
869  N  NE1 . TRP A 108 ? 0.1842 0.1396 0.0225 0.0244  -0.0152 0.0079  118 TRP H NE1 
870  C  CE2 . TRP A 108 ? 0.1659 0.1230 0.0309 0.0227  -0.0250 -0.0040 118 TRP H CE2 
871  C  CE3 . TRP A 108 ? 0.1624 0.1261 0.0254 0.0248  -0.0288 -0.0163 118 TRP H CE3 
872  C  CZ2 . TRP A 108 ? 0.1666 0.1229 0.0302 0.0267  -0.0310 -0.0094 118 TRP H CZ2 
873  C  CZ3 . TRP A 108 ? 0.1561 0.1245 0.0392 0.0202  -0.0242 -0.0287 118 TRP H CZ3 
874  C  CH2 . TRP A 108 ? 0.1665 0.1375 0.0201 0.0240  -0.0270 -0.0187 118 TRP H CH2 
875  N  N   . GLY A 109 ? 0.1477 0.1301 0.0276 0.0118  -0.0102 0.0034  119 GLY H N   
876  C  CA  . GLY A 109 ? 0.1600 0.1268 0.0422 0.0211  -0.0164 0.0050  119 GLY H CA  
877  C  C   . GLY A 109 ? 0.1786 0.1275 0.0685 0.0130  -0.0242 -0.0020 119 GLY H C   
878  O  O   . GLY A 109 ? 0.2224 0.1341 0.0648 0.0161  -0.0431 0.0053  119 GLY H O   
879  N  N   . GLN A 110 ? 0.1668 0.1340 0.0443 0.0095  -0.0396 0.0024  120 GLN H N   
880  C  CA  . GLN A 110 ? 0.1915 0.1371 0.0989 0.0039  -0.0532 -0.0074 120 GLN H CA  
881  C  C   . GLN A 110 ? 0.1727 0.1421 0.1349 0.0086  -0.0499 -0.0074 120 GLN H C   
882  O  O   . GLN A 110 ? 0.2410 0.2080 0.1886 0.0121  -0.0516 -0.0704 120 GLN H O   
883  C  CB  . GLN A 110 ? 0.1846 0.1531 0.1680 -0.0026 -0.0382 -0.0112 120 GLN H CB  
884  C  CG  . GLN A 110 ? 0.2046 0.1541 0.1611 -0.0071 -0.0466 -0.0106 120 GLN H CG  
885  C  CD  . GLN A 110 ? 0.2126 0.1729 0.1594 -0.0172 -0.0413 0.0064  120 GLN H CD  
886  O  OE1 . GLN A 110 ? 0.2190 0.1662 0.0968 -0.0101 -0.0475 0.0065  120 GLN H OE1 
887  N  NE2 . GLN A 110 ? 0.2255 0.1795 0.2298 -0.0065 -0.0714 0.0139  120 GLN H NE2 
888  N  N   . GLY A 111 ? 0.1687 0.1416 0.1104 0.0236  -0.0504 -0.0106 121 GLY H N   
889  C  CA  . GLY A 111 ? 0.1782 0.1336 0.1167 0.0317  -0.0378 -0.0052 121 GLY H CA  
890  C  C   . GLY A 111 ? 0.1866 0.1447 0.1488 0.0308  -0.0047 0.0119  121 GLY H C   
891  O  O   . GLY A 111 ? 0.2026 0.1908 0.2587 0.0199  0.0377  0.0492  121 GLY H O   
892  N  N   . THR A 112 ? 0.1772 0.1413 0.1188 0.0238  0.0099  0.0131  122 THR H N   
893  C  CA  . THR A 112 ? 0.2062 0.1465 0.1659 0.0349  0.0103  0.0221  122 THR H CA  
894  C  C   . THR A 112 ? 0.1451 0.1134 0.1603 0.0176  -0.0202 0.0062  122 THR H C   
895  O  O   . THR A 112 ? 0.1796 0.1067 0.1259 -0.0067 -0.0205 0.0056  122 THR H O   
896  C  CB  . THR A 112 ? 0.2290 0.1803 0.1891 0.0629  0.0038  0.0421  122 THR H CB  
897  O  OG1 . THR A 112 ? 0.3187 0.2250 0.3266 0.0454  0.0030  0.1360  122 THR H OG1 
898  C  CG2 . THR A 112 ? 0.2423 0.2201 0.1455 0.0690  -0.0091 0.0508  122 THR H CG2 
899  N  N   . LEU A 113 ? 0.1797 0.1211 0.2027 0.0104  -0.0152 0.0020  123 LEU H N   
900  C  CA  . LEU A 113 ? 0.1831 0.1133 0.1661 0.0154  -0.0378 -0.0004 123 LEU H CA  
901  C  C   . LEU A 113 ? 0.1724 0.1070 0.1133 0.0060  -0.0202 0.0012  123 LEU H C   
902  O  O   . LEU A 113 ? 0.1929 0.1295 0.1196 0.0134  -0.0005 0.0163  123 LEU H O   
903  C  CB  . LEU A 113 ? 0.2043 0.1081 0.2001 0.0105  -0.0506 -0.0005 123 LEU H CB  
904  C  CG  . LEU A 113 ? 0.2329 0.1132 0.2092 0.0010  -0.0576 -0.0032 123 LEU H CG  
905  C  CD1 . LEU A 113 ? 0.2198 0.1199 0.2064 -0.0093 -0.0700 0.0026  123 LEU H CD1 
906  C  CD2 . LEU A 113 ? 0.2401 0.1163 0.2283 0.0119  -0.0804 0.0018  123 LEU H CD2 
907  N  N   . VAL A 114 ? 0.1689 0.1210 0.0603 0.0074  -0.0251 -0.0008 124 VAL H N   
908  C  CA  . VAL A 114 ? 0.1738 0.1318 0.0581 0.0201  -0.0166 -0.0026 124 VAL H CA  
909  C  C   . VAL A 114 ? 0.1692 0.1259 0.0372 0.0210  -0.0298 0.0055  124 VAL H C   
910  O  O   . VAL A 114 ? 0.1882 0.1303 0.0256 0.0245  -0.0175 0.0017  124 VAL H O   
911  C  CB  . VAL A 114 ? 0.1817 0.1463 0.0443 0.0151  -0.0221 -0.0208 124 VAL H CB  
912  C  CG1 . VAL A 114 ? 0.1876 0.1603 0.0437 0.0102  -0.0224 -0.0223 124 VAL H CG1 
913  C  CG2 . VAL A 114 ? 0.1853 0.1427 0.0459 0.0228  -0.0302 -0.0216 124 VAL H CG2 
914  N  N   . THR A 115 ? 0.1854 0.1198 0.0352 0.0167  -0.0074 0.0003  125 THR H N   
915  C  CA  . THR A 115 ? 0.1764 0.1176 0.0520 0.0149  -0.0151 -0.0074 125 THR H CA  
916  C  C   . THR A 115 ? 0.1719 0.1241 0.0708 0.0115  -0.0184 -0.0138 125 THR H C   
917  O  O   . THR A 115 ? 0.1804 0.1416 0.0764 0.0051  -0.0202 -0.0017 125 THR H O   
918  C  CB  . THR A 115 ? 0.1928 0.1223 0.0796 0.0110  -0.0236 -0.0077 125 THR H CB  
919  O  OG1 . THR A 115 ? 0.1898 0.1391 0.1145 0.0258  -0.0319 0.0071  125 THR H OG1 
920  C  CG2 . THR A 115 ? 0.2004 0.1486 0.0886 0.0049  -0.0186 -0.0251 125 THR H CG2 
921  N  N   . VAL A 116 ? 0.1829 0.1392 0.0589 0.0108  -0.0201 -0.0171 126 VAL H N   
922  C  CA  . VAL A 116 ? 0.1861 0.1197 0.0496 0.0106  -0.0212 -0.0143 126 VAL H CA  
923  C  C   . VAL A 116 ? 0.2021 0.1379 0.0934 0.0107  -0.0080 -0.0308 126 VAL H C   
924  O  O   . VAL A 116 ? 0.2517 0.1861 0.0976 0.0193  -0.0052 -0.0098 126 VAL H O   
925  C  CB  . VAL A 116 ? 0.1865 0.1377 0.0673 0.0087  -0.0150 -0.0236 126 VAL H CB  
926  C  CG1 . VAL A 116 ? 0.1872 0.1574 0.0764 0.0050  -0.0254 -0.0306 126 VAL H CG1 
927  C  CG2 . VAL A 116 ? 0.1951 0.1319 0.0734 0.0045  -0.0176 -0.0161 126 VAL H CG2 
928  N  N   . SER A 117 ? 0.1933 0.1310 0.1155 0.0272  -0.0117 -0.0412 127 SER H N   
929  C  CA  . SER A 117 ? 0.1963 0.1372 0.1482 0.0282  -0.0033 -0.0480 127 SER H CA  
930  C  C   . SER A 117 ? 0.1839 0.1573 0.1967 0.0197  -0.0093 -0.0244 127 SER H C   
931  O  O   . SER A 117 ? 0.2203 0.1596 0.1723 0.0041  -0.0280 -0.0048 127 SER H O   
932  C  CB  . SER A 117 ? 0.2104 0.1857 0.1706 0.0453  -0.0114 -0.0654 127 SER H CB  
933  O  OG  . SER A 117 ? 0.2333 0.1905 0.2223 0.0323  -0.0457 -0.0519 127 SER H OG  
934  N  N   . SER A 118 ? 0.1847 0.1952 0.2461 0.0145  -0.0144 -0.0450 128 SER H N   
935  C  CA  . SER A 118 ? 0.2280 0.1858 0.3089 0.0362  0.0015  -0.0141 128 SER H CA  
936  C  C   . SER A 118 ? 0.2247 0.1949 0.3186 0.0299  -0.0095 -0.0051 128 SER H C   
937  O  O   . SER A 118 ? 0.2820 0.1879 0.3693 0.0305  -0.0373 0.0005  128 SER H O   
938  C  CB  . SER A 118 ? 0.2434 0.2601 0.3648 0.0877  -0.0082 -0.0097 128 SER H CB  
939  O  OG  . SER A 118 ? 0.3856 0.3427 0.4389 0.0552  0.0063  -0.0445 128 SER H OG  
940  N  N   . ALA A 119 ? 0.2177 0.1639 0.2644 0.0210  0.0057  -0.0029 129 ALA H N   
941  C  CA  . ALA A 119 ? 0.2465 0.1628 0.2201 0.0121  -0.0031 0.0145  129 ALA H CA  
942  C  C   . ALA A 119 ? 0.2548 0.1551 0.2358 0.0171  0.0107  0.0006  129 ALA H C   
943  O  O   . ALA A 119 ? 0.2717 0.1620 0.2626 0.0269  0.0324  0.0023  129 ALA H O   
944  C  CB  . ALA A 119 ? 0.2726 0.1849 0.2331 0.0145  -0.0162 -0.0147 129 ALA H CB  
945  N  N   . SER A 120 ? 0.2376 0.1492 0.1717 0.0320  0.0118  0.0114  130 SER H N   
946  C  CA  . SER A 120 ? 0.2302 0.1827 0.1697 0.0217  0.0015  0.0125  130 SER H CA  
947  C  C   . SER A 120 ? 0.2196 0.1834 0.1559 0.0099  -0.0355 0.0335  130 SER H C   
948  O  O   . SER A 120 ? 0.2576 0.2247 0.1648 -0.0038 -0.0374 0.0280  130 SER H O   
949  C  CB  . SER A 120 ? 0.2146 0.1876 0.1970 0.0158  -0.0008 0.0251  130 SER H CB  
950  O  OG  . SER A 120 ? 0.2184 0.2421 0.2121 0.0231  0.0121  0.0384  130 SER H OG  
951  N  N   . THR A 121 ? 0.2175 0.2036 0.1468 0.0007  -0.0746 0.0204  131 THR H N   
952  C  CA  . THR A 121 ? 0.2192 0.1743 0.1150 0.0088  -0.0730 0.0505  131 THR H CA  
953  C  C   . THR A 121 ? 0.2237 0.1799 0.1101 0.0048  -0.0720 0.0457  131 THR H C   
954  O  O   . THR A 121 ? 0.2512 0.2123 0.1621 0.0292  -0.0672 0.0601  131 THR H O   
955  C  CB  . THR A 121 ? 0.2921 0.2212 0.1157 -0.0060 -0.0527 0.0423  131 THR H CB  
956  O  OG1 . THR A 121 ? 0.3092 0.2310 0.1514 0.0085  -0.0188 0.0658  131 THR H OG1 
957  C  CG2 . THR A 121 ? 0.2745 0.2592 0.1083 -0.0252 -0.0474 0.0200  131 THR H CG2 
958  N  N   . LYS A 122 ? 0.2271 0.1991 0.1002 -0.0134 -0.0584 0.0505  132 LYS H N   
959  C  CA  . LYS A 122 ? 0.2410 0.1919 0.1289 -0.0005 -0.0377 0.0631  132 LYS H CA  
960  C  C   . LYS A 122 ? 0.2317 0.1860 0.1375 -0.0097 -0.0434 0.0587  132 LYS H C   
961  O  O   . LYS A 122 ? 0.2271 0.1770 0.1187 -0.0107 -0.0635 0.0361  132 LYS H O   
962  C  CB  . LYS A 122 ? 0.2543 0.2124 0.1306 0.0174  -0.0334 0.0684  132 LYS H CB  
963  C  CG  . LYS A 122 ? 0.2694 0.2361 0.1606 0.0206  -0.0271 0.0577  132 LYS H CG  
964  C  CD  . LYS A 122 ? 0.3331 0.2866 0.2056 0.0202  -0.0042 0.0155  132 LYS H CD  
965  C  CE  . LYS A 122 ? 0.4337 0.3187 0.3270 0.0292  -0.0263 -0.0318 132 LYS H CE  
966  N  NZ  . LYS A 122 ? 0.5609 0.5377 0.4309 0.0147  0.0005  -0.0574 132 LYS H NZ  
967  N  N   . GLY A 123 ? 0.2134 0.1998 0.1183 -0.0069 -0.0598 0.0594  133 GLY H N   
968  C  CA  . GLY A 123 ? 0.2155 0.2081 0.1163 -0.0141 -0.0615 0.0463  133 GLY H CA  
969  C  C   . GLY A 123 ? 0.2373 0.1885 0.1308 -0.0179 -0.0668 0.0476  133 GLY H C   
970  O  O   . GLY A 123 ? 0.2607 0.2084 0.1317 0.0022  -0.0651 0.0345  133 GLY H O   
971  N  N   . PRO A 124 ? 0.2264 0.2053 0.1252 -0.0276 -0.0694 0.0432  134 PRO H N   
972  C  CA  . PRO A 124 ? 0.2414 0.2311 0.1191 -0.0343 -0.0644 0.0301  134 PRO H CA  
973  C  C   . PRO A 124 ? 0.2666 0.2087 0.1369 -0.0243 -0.0591 0.0401  134 PRO H C   
974  O  O   . PRO A 124 ? 0.2919 0.2340 0.1530 -0.0557 -0.0507 0.0554  134 PRO H O   
975  C  CB  . PRO A 124 ? 0.2236 0.2438 0.1642 -0.0340 -0.0715 0.0420  134 PRO H CB  
976  C  CG  . PRO A 124 ? 0.2269 0.2552 0.1922 -0.0253 -0.0653 0.0370  134 PRO H CG  
977  C  CD  . PRO A 124 ? 0.2181 0.2252 0.1723 -0.0160 -0.0486 0.0506  134 PRO H CD  
978  N  N   . SER A 125 ? 0.2829 0.2126 0.1246 -0.0277 -0.0697 0.0414  135 SER H N   
979  C  CA  . SER A 125 ? 0.3018 0.2150 0.1709 -0.0331 -0.0808 0.0543  135 SER H CA  
980  C  C   . SER A 125 ? 0.2712 0.2182 0.1821 -0.0643 -0.0803 0.0829  135 SER H C   
981  O  O   . SER A 125 ? 0.2810 0.3159 0.1778 -0.0665 -0.0894 0.1277  135 SER H O   
982  C  CB  . SER A 125 ? 0.3679 0.2554 0.2611 -0.0120 -0.0817 0.0097  135 SER H CB  
983  O  OG  . SER A 125 ? 0.4446 0.2859 0.4067 0.0329  -0.0935 -0.0178 135 SER H OG  
984  N  N   . VAL A 126 ? 0.2892 0.2378 0.1394 -0.0735 -0.0654 0.0681  136 VAL H N   
985  C  CA  . VAL A 126 ? 0.2813 0.2140 0.1314 -0.0828 -0.0501 0.0725  136 VAL H CA  
986  C  C   . VAL A 126 ? 0.3179 0.2038 0.1430 -0.0653 -0.0827 0.0759  136 VAL H C   
987  O  O   . VAL A 126 ? 0.3801 0.2510 0.1735 -0.1272 -0.0746 0.0740  136 VAL H O   
988  C  CB  . VAL A 126 ? 0.2696 0.2412 0.1464 -0.0619 -0.0381 0.0534  136 VAL H CB  
989  C  CG1 . VAL A 126 ? 0.2523 0.2695 0.1586 -0.0570 -0.0366 0.0459  136 VAL H CG1 
990  C  CG2 . VAL A 126 ? 0.2768 0.2820 0.1726 -0.0656 -0.0421 0.0403  136 VAL H CG2 
991  N  N   . PHE A 127 ? 0.2921 0.2115 0.1193 -0.0699 -0.0657 0.0594  137 PHE H N   
992  C  CA  . PHE A 127 ? 0.2713 0.1905 0.1605 -0.0506 -0.0716 0.0377  137 PHE H CA  
993  C  C   . PHE A 127 ? 0.2842 0.2124 0.1412 -0.0529 -0.0888 0.0403  137 PHE H C   
994  O  O   . PHE A 127 ? 0.2662 0.2105 0.1578 -0.0459 -0.0527 0.0373  137 PHE H O   
995  C  CB  . PHE A 127 ? 0.3091 0.2183 0.1654 -0.0378 -0.0638 0.0560  137 PHE H CB  
996  C  CG  . PHE A 127 ? 0.3270 0.2158 0.1828 -0.0399 -0.0862 0.0271  137 PHE H CG  
997  C  CD1 . PHE A 127 ? 0.3240 0.2338 0.1888 -0.0246 -0.0873 0.0408  137 PHE H CD1 
998  C  CD2 . PHE A 127 ? 0.3229 0.2188 0.1462 -0.0128 -0.0792 0.0268  137 PHE H CD2 
999  C  CE1 . PHE A 127 ? 0.3365 0.2422 0.1776 -0.0003 -0.1014 0.0437  137 PHE H CE1 
1000 C  CE2 . PHE A 127 ? 0.3514 0.2170 0.1687 -0.0085 -0.1142 -0.0078 137 PHE H CE2 
1001 C  CZ  . PHE A 127 ? 0.3310 0.2229 0.1868 -0.0066 -0.0977 0.0272  137 PHE H CZ  
1002 N  N   . PRO A 128 ? 0.2954 0.1966 0.1574 -0.0582 -0.0771 0.0120  138 PRO H N   
1003 C  CA  . PRO A 128 ? 0.2761 0.2397 0.1811 -0.0612 -0.0565 0.0168  138 PRO H CA  
1004 C  C   . PRO A 128 ? 0.2900 0.2403 0.1707 -0.0383 -0.0545 -0.0088 138 PRO H C   
1005 O  O   . PRO A 128 ? 0.3077 0.2700 0.1207 -0.0038 -0.0650 0.0000  138 PRO H O   
1006 C  CB  . PRO A 128 ? 0.3101 0.2461 0.2125 -0.0739 -0.0420 0.0398  138 PRO H CB  
1007 C  CG  . PRO A 128 ? 0.3302 0.2577 0.2466 -0.0735 -0.0466 0.0648  138 PRO H CG  
1008 C  CD  . PRO A 128 ? 0.3279 0.2297 0.1792 -0.0743 -0.0765 0.0568  138 PRO H CD  
1009 N  N   . LEU A 129 ? 0.2702 0.2321 0.1329 -0.0314 -0.0505 -0.0404 139 LEU H N   
1010 C  CA  . LEU A 129 ? 0.2452 0.2354 0.1499 -0.0309 -0.0628 -0.0406 139 LEU H CA  
1011 C  C   . LEU A 129 ? 0.2673 0.2277 0.2055 -0.0437 -0.0614 -0.0558 139 LEU H C   
1012 O  O   . LEU A 129 ? 0.2594 0.2421 0.1587 -0.0378 -0.0364 -0.0456 139 LEU H O   
1013 C  CB  . LEU A 129 ? 0.2569 0.2392 0.1133 -0.0269 -0.0721 -0.0326 139 LEU H CB  
1014 C  CG  . LEU A 129 ? 0.2668 0.2536 0.1257 -0.0220 -0.0706 -0.0239 139 LEU H CG  
1015 C  CD1 . LEU A 129 ? 0.2786 0.2662 0.1289 -0.0267 -0.0559 -0.0086 139 LEU H CD1 
1016 C  CD2 . LEU A 129 ? 0.2909 0.2712 0.1838 -0.0325 -0.0542 -0.0371 139 LEU H CD2 
1017 N  N   . ALA A 130 ? 0.3321 0.2181 0.3350 -0.0489 -0.0654 -0.0768 140 ALA H N   
1018 C  CA  . ALA A 130 ? 0.4220 0.1893 0.4208 -0.0884 -0.0167 -0.0798 140 ALA H CA  
1019 C  C   . ALA A 130 ? 0.3646 0.2090 0.3430 -0.1061 -0.1257 0.0671  140 ALA H C   
1020 O  O   . ALA A 130 ? 0.3336 0.2851 0.3444 -0.0422 -0.1441 0.0510  140 ALA H O   
1021 C  CB  . ALA A 130 ? 0.3991 0.3769 0.2895 -0.0912 0.0411  -0.0757 140 ALA H CB  
1022 N  N   . PRO A 131 ? 0.4005 0.2746 0.3934 -0.0098 -0.1144 -0.0139 141 PRO H N   
1023 C  CA  . PRO A 131 ? 0.4369 0.2907 0.3374 -0.0973 -0.1468 -0.0032 141 PRO H CA  
1024 C  C   . PRO A 131 ? 0.4950 0.3141 0.3668 -0.1596 -0.0528 0.0643  141 PRO H C   
1025 O  O   . PRO A 131 ? 0.5348 0.3953 0.3138 -0.2256 0.0218  0.1172  141 PRO H O   
1026 C  CB  . PRO A 131 ? 0.5265 0.3711 0.1931 -0.0538 -0.0611 -0.0016 141 PRO H CB  
1027 C  CG  . PRO A 131 ? 0.5131 0.3962 0.3005 -0.0697 -0.1367 -0.0857 141 PRO H CG  
1028 C  CD  . PRO A 131 ? 0.4904 0.3424 0.3467 0.0018  -0.1230 -0.0179 141 PRO H CD  
1029 N  N   . SER A 132 ? 0.5026 0.3858 0.3200 -0.2211 -0.1114 0.0696  142 SER H N   
1030 C  CA  . SER A 132 ? 0.5068 0.3597 0.4341 -0.1803 -0.1277 0.0891  142 SER H CA  
1031 C  C   . SER A 132 ? 0.5299 0.3604 0.4480 -0.1584 -0.1692 0.1208  142 SER H C   
1032 O  O   . SER A 132 ? 0.5724 0.3285 0.4861 -0.1915 -0.1778 0.1914  142 SER H O   
1033 C  CB  . SER A 132 ? 0.5347 0.4557 0.3630 -0.1412 -0.1465 0.0760  142 SER H CB  
1034 O  OG  . SER A 132 ? 0.4900 0.5160 0.3263 -0.0718 -0.0963 0.0759  142 SER H OG  
1035 N  N   . SER A 133 ? 0.5077 0.3968 0.4830 -0.1486 -0.1658 0.1158  143 SER H N   
1036 C  CA  . SER A 133 ? 0.5044 0.4616 0.5048 -0.1486 -0.1362 0.0814  143 SER H CA  
1037 C  C   . SER A 133 ? 0.4107 0.4050 0.5293 -0.0599 -0.1536 0.0847  143 SER H C   
1038 O  O   . SER A 133 ? 0.3953 0.3115 0.4676 -0.0151 -0.1860 0.0004  143 SER H O   
1039 C  CB  . SER A 133 ? 0.5784 0.4819 0.4075 -0.0855 -0.0778 0.1753  143 SER H CB  
1040 O  OG  . SER A 133 ? 0.5401 0.5174 0.4380 -0.0809 -0.1415 0.1053  143 SER H OG  
1041 N  N   . LYS A 134 ? 0.2955 0.3956 0.4809 -0.0695 -0.1105 0.0438  144 LYS H N   
1042 C  CA  . LYS A 134 ? 0.3223 0.4286 0.5422 -0.0878 -0.0492 0.0686  144 LYS H CA  
1043 C  C   . LYS A 134 ? 0.2928 0.3841 0.5864 -0.0816 -0.0520 0.0815  144 LYS H C   
1044 O  O   . LYS A 134 ? 0.3667 0.5280 0.5742 -0.0999 -0.0875 0.1207  144 LYS H O   
1045 C  CB  . LYS A 134 ? 0.3601 0.4504 0.5726 -0.1000 -0.0027 0.0102  144 LYS H CB  
1046 C  CG  . LYS A 134 ? 0.3913 0.5270 0.6865 -0.1326 0.0262  -0.0033 144 LYS H CG  
1047 C  CD  . LYS A 134 ? 0.4843 0.5743 0.7593 -0.0902 0.0269  -0.0454 144 LYS H CD  
1048 C  CE  . LYS A 134 ? 0.5286 0.6679 0.8753 -0.1438 0.0155  -0.0695 144 LYS H CE  
1049 N  NZ  . LYS A 134 ? 0.5665 0.7286 0.9284 -0.1165 0.0124  -0.0611 144 LYS H NZ  
1050 N  N   . SER A 135 ? 0.3643 0.3873 0.6273 -0.0748 -0.0733 0.0083  145 SER H N   
1051 C  CA  . SER A 135 ? 0.3148 0.3662 0.5990 -0.0685 -0.0450 0.0080  145 SER H CA  
1052 C  C   . SER A 135 ? 0.4100 0.3802 0.7210 -0.0568 -0.0135 0.0154  145 SER H C   
1053 O  O   . SER A 135 ? 0.3582 0.3997 0.8703 -0.0417 -0.0050 0.0658  145 SER H O   
1054 C  CB  . SER A 135 ? 0.3000 0.3669 0.5098 -0.1059 -0.0699 -0.0233 145 SER H CB  
1055 O  OG  . SER A 135 ? 0.2845 0.4197 0.3935 -0.0710 -0.0601 -0.0277 145 SER H OG  
1056 N  N   . THR A 136 ? 0.2702 0.3014 0.6568 -0.0749 0.0021  0.0564  146 THR H N   
1057 C  CA  . THR A 136 ? 0.2438 0.3994 0.6254 -0.0210 -0.0921 0.1215  146 THR H CA  
1058 C  C   . THR A 136 ? 0.3000 0.3517 0.5983 -0.0231 -0.0594 0.1566  146 THR H C   
1059 O  O   . THR A 136 ? 0.2518 0.3715 0.7370 -0.0526 -0.1176 0.1077  146 THR H O   
1060 C  CB  . THR A 136 ? 0.2084 0.4503 0.5527 -0.0427 -0.0817 0.1945  146 THR H CB  
1061 O  OG1 . THR A 136 ? 0.2510 0.4228 0.3944 -0.0989 -0.1157 0.1606  146 THR H OG1 
1062 C  CG2 . THR A 136 ? 0.2123 0.4609 0.5276 -0.0593 -0.1040 0.2199  146 THR H CG2 
1063 N  N   . SER A 137 ? 0.2729 0.3618 0.5013 0.0110  0.0481  0.1444  147 SER H N   
1064 C  CA  . SER A 137 ? 0.4091 0.5517 0.5519 -0.0030 0.0095  0.1391  147 SER H CA  
1065 C  C   . SER A 137 ? 0.3045 0.4389 0.5025 -0.0149 0.0451  0.1761  147 SER H C   
1066 O  O   . SER A 137 ? 0.4708 0.6417 0.4626 0.2376  -0.0012 0.2648  147 SER H O   
1067 C  CB  . SER A 137 ? 0.4798 0.5961 0.5552 0.0210  0.0623  0.1325  147 SER H CB  
1068 O  OG  . SER A 137 ? 0.6035 0.6988 0.5371 0.0519  0.1282  0.2016  147 SER H OG  
1069 N  N   . GLY A 138 ? 0.4662 0.5746 0.4114 -0.1194 -0.0486 0.1291  148 GLY H N   
1070 C  CA  . GLY A 138 ? 0.4628 0.5637 0.3833 -0.1268 -0.0876 0.1149  148 GLY H CA  
1071 C  C   . GLY A 138 ? 0.4544 0.5250 0.5897 -0.2766 -0.0957 0.0159  148 GLY H C   
1072 O  O   . GLY A 138 ? 0.7238 0.4200 0.7414 -0.1686 -0.0432 0.2457  148 GLY H O   
1073 N  N   . GLY A 139 ? 0.5733 0.5642 0.5064 -0.2293 -0.0797 -0.0583 149 GLY H N   
1074 C  CA  . GLY A 139 ? 0.4937 0.6677 0.5291 -0.2512 -0.0890 -0.0836 149 GLY H CA  
1075 C  C   . GLY A 139 ? 0.3798 0.7187 0.4428 -0.2101 -0.0074 -0.0918 149 GLY H C   
1076 O  O   . GLY A 139 ? 0.4230 0.6745 0.2897 -0.1748 -0.1008 -0.0816 149 GLY H O   
1077 N  N   . THR A 140 ? 0.3157 0.7192 0.5859 -0.1801 -0.0264 -0.1046 150 THR H N   
1078 C  CA  . THR A 140 ? 0.3425 0.8410 0.6381 -0.1592 -0.0645 -0.1477 150 THR H CA  
1079 C  C   . THR A 140 ? 0.3926 0.8732 0.5785 -0.0658 0.0537  -0.1776 150 THR H C   
1080 O  O   . THR A 140 ? 0.4095 1.0642 0.6944 -0.0309 0.1396  -0.1003 150 THR H O   
1081 C  CB  . THR A 140 ? 0.3329 0.8397 0.7056 -0.2424 -0.2067 -0.1996 150 THR H CB  
1082 O  OG1 . THR A 140 ? 0.4904 0.8212 0.6988 -0.1717 0.0625  -0.1437 150 THR H OG1 
1083 C  CG2 . THR A 140 ? 0.3709 0.8416 0.9605 -0.1538 -0.1215 -0.1062 150 THR H CG2 
1084 N  N   . ALA A 141 ? 0.4540 0.7454 0.5743 -0.0606 -0.0321 -0.2410 151 ALA H N   
1085 C  CA  . ALA A 141 ? 0.3159 0.6923 0.5213 -0.1164 -0.0457 -0.2344 151 ALA H CA  
1086 C  C   . ALA A 141 ? 0.3474 0.5994 0.4607 -0.0314 0.0017  -0.1977 151 ALA H C   
1087 O  O   . ALA A 141 ? 0.3083 0.5980 0.6865 -0.0595 -0.1377 -0.3668 151 ALA H O   
1088 C  CB  . ALA A 141 ? 0.3793 0.7462 0.5488 -0.0914 0.0027  -0.1804 151 ALA H CB  
1089 N  N   . ALA A 142 ? 0.3130 0.3439 0.2116 -0.0351 -0.0770 -0.1389 152 ALA H N   
1090 C  CA  . ALA A 142 ? 0.2608 0.3387 0.1934 -0.0249 -0.0732 -0.1085 152 ALA H CA  
1091 C  C   . ALA A 142 ? 0.2597 0.2915 0.1865 -0.0562 -0.0674 -0.1017 152 ALA H C   
1092 O  O   . ALA A 142 ? 0.3272 0.2903 0.2304 -0.0618 -0.0701 -0.0925 152 ALA H O   
1093 C  CB  . ALA A 142 ? 0.3104 0.3806 0.1695 -0.0398 -0.1027 -0.0805 152 ALA H CB  
1094 N  N   . LEU A 143 ? 0.2536 0.2333 0.2042 -0.0519 -0.0876 -0.0831 153 LEU H N   
1095 C  CA  . LEU A 143 ? 0.2680 0.2791 0.2221 -0.0352 -0.0768 -0.0688 153 LEU H CA  
1096 C  C   . LEU A 143 ? 0.2424 0.2633 0.1928 -0.0215 -0.0647 -0.0501 153 LEU H C   
1097 O  O   . LEU A 143 ? 0.2399 0.2603 0.2388 -0.0348 -0.0792 -0.0415 153 LEU H O   
1098 C  CB  . LEU A 143 ? 0.2808 0.3109 0.2601 -0.0503 -0.0792 -0.0480 153 LEU H CB  
1099 C  CG  . LEU A 143 ? 0.3353 0.4102 0.3507 -0.0636 -0.0709 -0.0936 153 LEU H CG  
1100 C  CD1 . LEU A 143 ? 0.3691 0.4752 0.3329 -0.0458 -0.0610 -0.0910 153 LEU H CD1 
1101 C  CD2 . LEU A 143 ? 0.3286 0.5039 0.4178 -0.0664 -0.0668 -0.1248 153 LEU H CD2 
1102 N  N   . GLY A 144 ? 0.2291 0.2439 0.1566 -0.0375 -0.0454 -0.0385 154 GLY H N   
1103 C  CA  . GLY A 144 ? 0.2320 0.2337 0.1418 -0.0472 -0.0503 -0.0174 154 GLY H CA  
1104 C  C   . GLY A 144 ? 0.2246 0.2331 0.1339 -0.0454 -0.0230 -0.0076 154 GLY H C   
1105 O  O   . GLY A 144 ? 0.2661 0.2458 0.1122 -0.0739 -0.0133 -0.0271 154 GLY H O   
1106 N  N   . CYS A 145 ? 0.2238 0.2396 0.1314 -0.0481 -0.0493 0.0126  155 CYS H N   
1107 C  CA  . CYS A 145 ? 0.2302 0.2349 0.1265 -0.0427 -0.0642 0.0327  155 CYS H CA  
1108 C  C   . CYS A 145 ? 0.2283 0.1979 0.0929 -0.0312 -0.0590 0.0015  155 CYS H C   
1109 O  O   . CYS A 145 ? 0.2347 0.2142 0.1237 -0.0181 -0.0442 0.0124  155 CYS H O   
1110 C  CB  . CYS A 145 ? 0.2445 0.2975 0.1262 -0.0500 -0.0493 0.0412  155 CYS H CB  
1111 S  SG  . CYS A 145 ? 0.2951 0.3457 0.1673 -0.0869 -0.0260 0.0099  155 CYS H SG  
1112 N  N   . LEU A 146 ? 0.2430 0.1871 0.1099 -0.0293 -0.0767 0.0288  156 LEU H N   
1113 C  CA  . LEU A 146 ? 0.2502 0.1832 0.1023 -0.0303 -0.0706 0.0131  156 LEU H CA  
1114 C  C   . LEU A 146 ? 0.2565 0.1692 0.0605 -0.0332 -0.0544 0.0206  156 LEU H C   
1115 O  O   . LEU A 146 ? 0.2740 0.1885 0.1304 -0.0345 -0.0940 0.0373  156 LEU H O   
1116 C  CB  . LEU A 146 ? 0.2919 0.1898 0.1040 -0.0420 -0.0574 0.0090  156 LEU H CB  
1117 C  CG  . LEU A 146 ? 0.2808 0.2142 0.1214 -0.0278 -0.0546 -0.0185 156 LEU H CG  
1118 C  CD1 . LEU A 146 ? 0.2909 0.2475 0.1616 -0.0342 -0.0421 -0.0119 156 LEU H CD1 
1119 C  CD2 . LEU A 146 ? 0.2864 0.2185 0.1488 -0.0272 -0.0569 -0.0248 156 LEU H CD2 
1120 N  N   . VAL A 147 ? 0.2522 0.1670 0.0718 -0.0344 -0.0610 0.0423  157 VAL H N   
1121 C  CA  . VAL A 147 ? 0.2521 0.1763 0.0795 -0.0229 -0.0562 0.0367  157 VAL H CA  
1122 C  C   . VAL A 147 ? 0.2295 0.1941 0.0800 -0.0240 -0.0564 0.0254  157 VAL H C   
1123 O  O   . VAL A 147 ? 0.2238 0.2009 0.1094 -0.0163 -0.0436 0.0382  157 VAL H O   
1124 C  CB  . VAL A 147 ? 0.2366 0.1886 0.0764 -0.0137 -0.0660 0.0326  157 VAL H CB  
1125 C  CG1 . VAL A 147 ? 0.2392 0.2003 0.0876 -0.0069 -0.0717 0.0342  157 VAL H CG1 
1126 C  CG2 . VAL A 147 ? 0.2530 0.2257 0.1004 0.0081  -0.0756 0.0335  157 VAL H CG2 
1127 N  N   . LYS A 148 ? 0.2546 0.2116 0.0825 -0.0097 -0.0582 0.0253  158 LYS H N   
1128 C  CA  . LYS A 148 ? 0.2313 0.2176 0.1263 -0.0088 -0.0565 0.0246  158 LYS H CA  
1129 C  C   . LYS A 148 ? 0.2457 0.2117 0.1017 -0.0105 -0.0623 0.0256  158 LYS H C   
1130 O  O   . LYS A 148 ? 0.2820 0.2537 0.1013 0.0182  -0.0522 0.0417  158 LYS H O   
1131 C  CB  . LYS A 148 ? 0.2682 0.2465 0.1636 0.0025  -0.0567 -0.0106 158 LYS H CB  
1132 C  CG  . LYS A 148 ? 0.3098 0.2776 0.2039 0.0117  -0.0441 -0.0189 158 LYS H CG  
1133 C  CD  . LYS A 148 ? 0.3551 0.3317 0.1664 0.0089  -0.0839 -0.0362 158 LYS H CD  
1134 C  CE  . LYS A 148 ? 0.4140 0.3387 0.1520 0.0404  -0.0812 -0.0684 158 LYS H CE  
1135 N  NZ  . LYS A 148 ? 0.4652 0.4632 0.2478 0.0274  -0.0423 -0.0819 158 LYS H NZ  
1136 N  N   . ASP A 149 ? 0.2535 0.2025 0.1022 0.0033  -0.0441 0.0253  159 ASP H N   
1137 C  CA  . ASP A 149 ? 0.2509 0.2066 0.1453 0.0103  -0.0565 0.0071  159 ASP H CA  
1138 C  C   . ASP A 149 ? 0.2742 0.2007 0.1345 0.0035  -0.0524 0.0222  159 ASP H C   
1139 O  O   . ASP A 149 ? 0.3071 0.2133 0.1401 -0.0036 -0.0951 0.0160  159 ASP H O   
1140 C  CB  . ASP A 149 ? 0.2673 0.2022 0.1367 0.0402  -0.0549 0.0238  159 ASP H CB  
1141 C  CG  . ASP A 149 ? 0.3068 0.2201 0.1851 0.0559  -0.0785 -0.0125 159 ASP H CG  
1142 O  OD1 . ASP A 149 ? 0.3375 0.2895 0.1979 0.0538  -0.0621 -0.0189 159 ASP H OD1 
1143 O  OD2 . ASP A 149 ? 0.3656 0.2483 0.2512 0.0459  -0.1019 -0.0366 159 ASP H OD2 
1144 N  N   . TYR A 150 ? 0.2333 0.1913 0.0955 0.0014  -0.0556 0.0430  160 TYR H N   
1145 C  CA  . TYR A 150 ? 0.2150 0.1817 0.0948 -0.0009 -0.0540 0.0422  160 TYR H CA  
1146 C  C   . TYR A 150 ? 0.2124 0.1775 0.1022 0.0037  -0.0581 0.0430  160 TYR H C   
1147 O  O   . TYR A 150 ? 0.2273 0.2082 0.1137 0.0030  -0.0455 0.0652  160 TYR H O   
1148 C  CB  . TYR A 150 ? 0.2162 0.1971 0.1112 -0.0040 -0.0569 0.0387  160 TYR H CB  
1149 C  CG  . TYR A 150 ? 0.2012 0.1932 0.0950 -0.0187 -0.0473 0.0446  160 TYR H CG  
1150 C  CD1 . TYR A 150 ? 0.2207 0.1957 0.0729 -0.0107 -0.0472 0.0317  160 TYR H CD1 
1151 C  CD2 . TYR A 150 ? 0.2071 0.1953 0.0918 -0.0271 -0.0433 0.0538  160 TYR H CD2 
1152 C  CE1 . TYR A 150 ? 0.2300 0.1971 0.0612 -0.0229 -0.0486 0.0424  160 TYR H CE1 
1153 C  CE2 . TYR A 150 ? 0.2139 0.1965 0.0980 -0.0105 -0.0489 0.0498  160 TYR H CE2 
1154 C  CZ  . TYR A 150 ? 0.2260 0.1897 0.0904 0.0027  -0.0506 0.0399  160 TYR H CZ  
1155 O  OH  . TYR A 150 ? 0.2579 0.2300 0.0909 0.0216  -0.0397 0.0674  160 TYR H OH  
1156 N  N   . PHE A 151 ? 0.1882 0.1827 0.0880 -0.0075 -0.0506 0.0487  161 PHE H N   
1157 C  CA  . PHE A 151 ? 0.2101 0.1714 0.1102 -0.0077 -0.0530 0.0338  161 PHE H CA  
1158 C  C   . PHE A 151 ? 0.1888 0.1747 0.1066 0.0094  -0.0451 0.0295  161 PHE H C   
1159 O  O   . PHE A 151 ? 0.2076 0.1973 0.1243 0.0010  -0.0397 0.0501  161 PHE H O   
1160 C  CB  . PHE A 151 ? 0.2215 0.1872 0.1162 0.0015  -0.0449 0.0337  161 PHE H CB  
1161 C  CG  . PHE A 151 ? 0.2119 0.1827 0.1433 -0.0004 -0.0545 -0.0014 161 PHE H CG  
1162 C  CD1 . PHE A 151 ? 0.2232 0.2046 0.1878 -0.0058 -0.0361 0.0181  161 PHE H CD1 
1163 C  CD2 . PHE A 151 ? 0.1892 0.1868 0.1460 0.0044  -0.0392 -0.0132 161 PHE H CD2 
1164 C  CE1 . PHE A 151 ? 0.2017 0.1969 0.1849 0.0002  0.0013  0.0184  161 PHE H CE1 
1165 C  CE2 . PHE A 151 ? 0.2058 0.2085 0.1404 -0.0042 -0.0416 -0.0422 161 PHE H CE2 
1166 C  CZ  . PHE A 151 ? 0.2256 0.1949 0.1820 -0.0074 -0.0058 -0.0048 161 PHE H CZ  
1167 N  N   . PRO A 152 ? 0.1927 0.1810 0.0957 0.0087  -0.0440 0.0397  162 PRO H N   
1168 C  CA  . PRO A 152 ? 0.2063 0.1700 0.1195 0.0088  -0.0475 0.0348  162 PRO H CA  
1169 C  C   . PRO A 152 ? 0.2130 0.1666 0.1268 -0.0006 -0.0541 0.0422  162 PRO H C   
1170 O  O   . PRO A 152 ? 0.2033 0.1821 0.1359 -0.0057 -0.0451 0.0450  162 PRO H O   
1171 C  CB  . PRO A 152 ? 0.1888 0.1828 0.1441 0.0060  -0.0528 0.0204  162 PRO H CB  
1172 C  CG  . PRO A 152 ? 0.2004 0.1944 0.1593 -0.0119 -0.0603 0.0148  162 PRO H CG  
1173 C  CD  . PRO A 152 ? 0.1871 0.1913 0.1195 0.0074  -0.0779 0.0186  162 PRO H CD  
1174 N  N   . GLU A 153 ? 0.1989 0.1508 0.1150 -0.0088 -0.0464 0.0457  163 GLU H N   
1175 C  CA  . GLU A 153 ? 0.2129 0.1641 0.1584 0.0008  -0.0637 0.0251  163 GLU H CA  
1176 C  C   . GLU A 153 ? 0.2018 0.1800 0.1643 0.0144  -0.0464 0.0226  163 GLU H C   
1177 O  O   . GLU A 153 ? 0.2185 0.1922 0.1528 -0.0114 -0.0637 0.0321  163 GLU H O   
1178 C  CB  . GLU A 153 ? 0.2355 0.1642 0.2049 0.0042  -0.0646 0.0452  163 GLU H CB  
1179 C  CG  . GLU A 153 ? 0.2693 0.2106 0.2220 -0.0260 -0.0657 0.0395  163 GLU H CG  
1180 C  CD  . GLU A 153 ? 0.4001 0.3056 0.3832 0.0061  -0.0782 0.1019  163 GLU H CD  
1181 O  OE1 . GLU A 153 ? 0.4203 0.4192 0.3953 -0.0650 -0.1947 0.1366  163 GLU H OE1 
1182 O  OE2 . GLU A 153 ? 0.5251 0.4343 0.5310 -0.0763 0.0099  0.1423  163 GLU H OE2 
1183 N  N   . PRO A 154 ? 0.1870 0.1876 0.1859 -0.0151 -0.0343 0.0035  164 PRO H N   
1184 C  CA  . PRO A 154 ? 0.2199 0.2185 0.1988 -0.0112 -0.0536 0.0100  164 PRO H CA  
1185 C  C   . PRO A 154 ? 0.1982 0.2294 0.1937 -0.0183 -0.0375 0.0023  164 PRO H C   
1186 O  O   . PRO A 154 ? 0.2456 0.2254 0.1776 -0.0332 -0.0472 0.0000  164 PRO H O   
1187 C  CB  . PRO A 154 ? 0.2119 0.2261 0.2120 0.0045  -0.0603 0.0071  164 PRO H CB  
1188 C  CG  . PRO A 154 ? 0.2292 0.2344 0.2394 0.0111  -0.0372 -0.0233 164 PRO H CG  
1189 C  CD  . PRO A 154 ? 0.2317 0.2064 0.2046 0.0152  -0.0445 -0.0195 164 PRO H CD  
1190 N  N   . VAL A 155 ? 0.2040 0.2532 0.1821 -0.0059 -0.0451 0.0070  165 VAL H N   
1191 C  CA  . VAL A 155 ? 0.2154 0.2826 0.1999 -0.0111 -0.0393 -0.0070 165 VAL H CA  
1192 C  C   . VAL A 155 ? 0.2320 0.2860 0.2200 -0.0083 -0.0482 -0.0146 165 VAL H C   
1193 O  O   . VAL A 155 ? 0.2735 0.2908 0.3394 -0.0065 -0.0373 0.0415  165 VAL H O   
1194 C  CB  . VAL A 155 ? 0.3229 0.3598 0.1971 0.0073  -0.0760 -0.0480 165 VAL H CB  
1195 C  CG1 . VAL A 155 ? 0.3264 0.4137 0.1664 0.0308  -0.1065 -0.0353 165 VAL H CG1 
1196 C  CG2 . VAL A 155 ? 0.3320 0.3457 0.1688 0.0174  -0.0708 -0.0468 165 VAL H CG2 
1197 N  N   . THR A 156 ? 0.2294 0.3093 0.2733 -0.0345 -0.0163 -0.0421 166 THR H N   
1198 C  CA  . THR A 156 ? 0.2231 0.3214 0.3018 -0.0382 -0.0285 -0.0587 166 THR H CA  
1199 C  C   . THR A 156 ? 0.2183 0.3295 0.2237 -0.0392 -0.0053 -0.0543 166 THR H C   
1200 O  O   . THR A 156 ? 0.2440 0.3543 0.2728 -0.0211 -0.0416 -0.0188 166 THR H O   
1201 C  CB  . THR A 156 ? 0.2403 0.3697 0.3834 -0.0201 -0.0274 -0.1021 166 THR H CB  
1202 O  OG1 . THR A 156 ? 0.3238 0.4140 0.3332 -0.0015 -0.0136 -0.1268 166 THR H OG1 
1203 C  CG2 . THR A 156 ? 0.2670 0.3917 0.4855 -0.0402 -0.0219 -0.0825 166 THR H CG2 
1204 N  N   . VAL A 157 ? 0.2428 0.3357 0.2025 -0.0271 0.0069  -0.0150 167 VAL H N   
1205 C  CA  . VAL A 157 ? 0.2425 0.3497 0.1937 -0.0363 -0.0004 -0.0678 167 VAL H CA  
1206 C  C   . VAL A 157 ? 0.2334 0.3549 0.1816 -0.0437 -0.0273 -0.0801 167 VAL H C   
1207 O  O   . VAL A 157 ? 0.2817 0.3824 0.2558 -0.0351 0.0321  -0.0146 167 VAL H O   
1208 C  CB  . VAL A 157 ? 0.3019 0.3135 0.1703 -0.0210 0.0056  -0.0381 167 VAL H CB  
1209 C  CG1 . VAL A 157 ? 0.3076 0.3405 0.1269 -0.0313 -0.0259 -0.0683 167 VAL H CG1 
1210 C  CG2 . VAL A 157 ? 0.3068 0.2871 0.1715 -0.0116 0.0076  -0.0451 167 VAL H CG2 
1211 N  N   . SER A 158 ? 0.2663 0.4173 0.1731 -0.0698 0.0003  -0.0720 168 SER H N   
1212 C  CA  . SER A 158 ? 0.2737 0.4375 0.1766 -0.0811 0.0097  -0.0910 168 SER H CA  
1213 C  C   . SER A 158 ? 0.2837 0.4076 0.1417 -0.0843 0.0093  -0.0839 168 SER H C   
1214 O  O   . SER A 158 ? 0.2993 0.3976 0.1470 -0.1020 -0.0181 -0.0447 168 SER H O   
1215 C  CB  . SER A 158 ? 0.3103 0.4861 0.1784 -0.0688 0.0104  -0.0918 168 SER H CB  
1216 O  OG  . SER A 158 ? 0.3012 0.4745 0.2442 -0.1027 0.0271  -0.0657 168 SER H OG  
1217 N  N   . TRP A 159 ? 0.2866 0.4128 0.1791 -0.0864 0.0256  -0.1233 169 TRP H N   
1218 C  CA  . TRP A 159 ? 0.2646 0.4360 0.1667 -0.0943 0.0126  -0.0909 169 TRP H CA  
1219 C  C   . TRP A 159 ? 0.2703 0.4930 0.1654 -0.1056 0.0124  -0.0833 169 TRP H C   
1220 O  O   . TRP A 159 ? 0.2818 0.4908 0.1816 -0.1171 0.0481  -0.1192 169 TRP H O   
1221 C  CB  . TRP A 159 ? 0.2292 0.3946 0.1769 -0.0847 0.0056  -0.0861 169 TRP H CB  
1222 C  CG  . TRP A 159 ? 0.2334 0.3170 0.1410 -0.0726 0.0158  -0.0555 169 TRP H CG  
1223 C  CD1 . TRP A 159 ? 0.2545 0.3062 0.1278 -0.0619 0.0067  -0.0698 169 TRP H CD1 
1224 C  CD2 . TRP A 159 ? 0.2694 0.3115 0.1452 -0.0799 0.0178  -0.0604 169 TRP H CD2 
1225 N  NE1 . TRP A 159 ? 0.2457 0.2779 0.1091 -0.0599 0.0152  -0.0458 169 TRP H NE1 
1226 C  CE2 . TRP A 159 ? 0.2355 0.2907 0.1505 -0.0800 0.0141  -0.0641 169 TRP H CE2 
1227 C  CE3 . TRP A 159 ? 0.2791 0.3126 0.1686 -0.0923 0.0404  -0.0634 169 TRP H CE3 
1228 C  CZ2 . TRP A 159 ? 0.2256 0.2842 0.1547 -0.0822 -0.0071 -0.0715 169 TRP H CZ2 
1229 C  CZ3 . TRP A 159 ? 0.2916 0.3168 0.1858 -0.0849 0.0253  -0.0517 169 TRP H CZ3 
1230 C  CH2 . TRP A 159 ? 0.2438 0.3071 0.1990 -0.0902 0.0092  -0.0728 169 TRP H CH2 
1231 N  N   . ASN A 160 ? 0.2883 0.5438 0.1625 -0.1374 0.0344  -0.0511 170 ASN H N   
1232 C  CA  . ASN A 160 ? 0.3293 0.5700 0.1679 -0.1646 0.0563  -0.0266 170 ASN H CA  
1233 C  C   . ASN A 160 ? 0.3565 0.6067 0.1932 -0.1435 0.0335  -0.0595 170 ASN H C   
1234 O  O   . ASN A 160 ? 0.3238 0.6967 0.1901 -0.1239 0.0225  -0.0870 170 ASN H O   
1235 C  CB  . ASN A 160 ? 0.2955 0.5803 0.1818 -0.1508 0.0848  -0.0493 170 ASN H CB  
1236 C  CG  . ASN A 160 ? 0.2404 0.5965 0.1805 -0.1523 0.0579  -0.0625 170 ASN H CG  
1237 O  OD1 . ASN A 160 ? 0.2920 0.6270 0.2929 -0.1242 0.0393  -0.0934 170 ASN H OD1 
1238 N  ND2 . ASN A 160 ? 0.2751 0.6090 0.2304 -0.1329 0.0574  -0.0358 170 ASN H ND2 
1239 N  N   . SER A 161 ? 0.3735 0.6040 0.2229 -0.1559 0.0368  -0.0713 171 SER H N   
1240 C  CA  . SER A 161 ? 0.4029 0.6023 0.1967 -0.1403 0.0455  -0.0691 171 SER H CA  
1241 C  C   . SER A 161 ? 0.3476 0.6053 0.2054 -0.1217 0.0796  -0.1116 171 SER H C   
1242 O  O   . SER A 161 ? 0.4586 0.5846 0.2946 -0.0820 0.0749  -0.1455 171 SER H O   
1243 C  CB  . SER A 161 ? 0.3789 0.6163 0.2541 -0.1460 0.0598  -0.0254 171 SER H CB  
1244 O  OG  . SER A 161 ? 0.5050 0.5941 0.2170 -0.1467 0.0012  -0.0166 171 SER H OG  
1245 N  N   . GLY A 162 ? 0.3301 0.6124 0.2726 -0.1299 0.0514  -0.0781 172 GLY H N   
1246 C  CA  . GLY A 162 ? 0.3202 0.5986 0.3692 -0.1109 0.0258  -0.0787 172 GLY H CA  
1247 C  C   . GLY A 162 ? 0.3197 0.5791 0.4959 -0.0680 0.0124  -0.0540 172 GLY H C   
1248 O  O   . GLY A 162 ? 0.3548 0.6183 0.4302 -0.0733 -0.0210 -0.0855 172 GLY H O   
1249 N  N   . ALA A 163 ? 0.3081 0.6110 0.4713 -0.0772 0.0207  -0.0777 173 ALA H N   
1250 C  CA  . ALA A 163 ? 0.3520 0.6898 0.3490 -0.0545 0.0533  -0.0634 173 ALA H CA  
1251 C  C   . ALA A 163 ? 0.3153 0.6928 0.3223 -0.0096 0.0583  -0.0983 173 ALA H C   
1252 O  O   . ALA A 163 ? 0.3183 0.8028 0.3579 0.0368  0.0598  -0.0972 173 ALA H O   
1253 C  CB  . ALA A 163 ? 0.3413 0.7039 0.3372 -0.0827 0.1077  -0.0451 173 ALA H CB  
1254 N  N   . LEU A 164 ? 0.3122 0.6385 0.1547 -0.0554 0.0595  -0.0959 174 LEU H N   
1255 C  CA  . LEU A 164 ? 0.2641 0.6246 0.1616 -0.0821 0.0589  -0.1084 174 LEU H CA  
1256 C  C   . LEU A 164 ? 0.2803 0.5387 0.1641 -0.0722 0.0111  -0.1151 174 LEU H C   
1257 O  O   . LEU A 164 ? 0.2708 0.5029 0.1450 -0.0669 0.0173  -0.1049 174 LEU H O   
1258 C  CB  . LEU A 164 ? 0.2884 0.6445 0.1571 -0.0985 0.0475  -0.0953 174 LEU H CB  
1259 C  CG  . LEU A 164 ? 0.3002 0.6143 0.1637 -0.1285 0.0508  -0.1100 174 LEU H CG  
1260 C  CD1 . LEU A 164 ? 0.3134 0.6417 0.2121 -0.1300 0.0130  -0.0797 174 LEU H CD1 
1261 C  CD2 . LEU A 164 ? 0.3270 0.5906 0.1814 -0.1617 0.0605  -0.1279 174 LEU H CD2 
1262 N  N   . THR A 165 ? 0.3224 0.5138 0.2274 -0.0313 0.0245  -0.1231 175 THR H N   
1263 C  CA  . THR A 165 ? 0.3432 0.4719 0.2729 -0.0029 0.0138  -0.1106 175 THR H CA  
1264 C  C   . THR A 165 ? 0.2947 0.4619 0.2374 0.0073  0.0560  -0.1190 175 THR H C   
1265 O  O   . THR A 165 ? 0.3010 0.4006 0.2171 -0.0197 0.0490  -0.0751 175 THR H O   
1266 C  CB  . THR A 165 ? 0.3756 0.4732 0.3236 0.0267  -0.0181 -0.1419 175 THR H CB  
1267 O  OG1 . THR A 165 ? 0.4008 0.5490 0.3163 0.0304  -0.0263 -0.1751 175 THR H OG1 
1268 C  CG2 . THR A 165 ? 0.4345 0.4738 0.3449 0.0231  -0.0203 -0.1443 175 THR H CG2 
1269 N  N   . SER A 166 ? 0.3079 0.5071 0.2314 0.0462  0.0495  -0.1204 176 SER H N   
1270 C  CA  . SER A 166 ? 0.3225 0.4945 0.2572 0.0129  0.0186  -0.0953 176 SER H CA  
1271 C  C   . SER A 166 ? 0.2890 0.4211 0.2042 -0.0225 0.0377  -0.0517 176 SER H C   
1272 O  O   . SER A 166 ? 0.3057 0.4138 0.2009 -0.0371 0.0091  -0.0704 176 SER H O   
1273 C  CB  . SER A 166 ? 0.3430 0.5616 0.4367 0.0085  0.0296  -0.0811 176 SER H CB  
1274 O  OG  . SER A 166 ? 0.5289 0.6702 0.6150 0.0012  0.0526  -0.0958 176 SER H OG  
1275 N  N   . GLY A 167 ? 0.3318 0.3597 0.1787 -0.0107 -0.0013 -0.0293 177 GLY H N   
1276 C  CA  . GLY A 167 ? 0.2897 0.3335 0.1550 -0.0104 -0.0386 -0.0171 177 GLY H CA  
1277 C  C   . GLY A 167 ? 0.2707 0.3153 0.1204 -0.0118 -0.0438 -0.0256 177 GLY H C   
1278 O  O   . GLY A 167 ? 0.3268 0.3760 0.1246 0.0134  -0.0419 -0.0593 177 GLY H O   
1279 N  N   . VAL A 168 ? 0.2779 0.2952 0.0840 -0.0112 -0.0227 -0.0368 178 VAL H N   
1280 C  CA  . VAL A 168 ? 0.2418 0.2671 0.1240 -0.0295 -0.0190 -0.0252 178 VAL H CA  
1281 C  C   . VAL A 168 ? 0.2399 0.2525 0.1294 -0.0152 -0.0112 -0.0258 178 VAL H C   
1282 O  O   . VAL A 168 ? 0.2646 0.2530 0.1608 0.0007  0.0121  -0.0411 178 VAL H O   
1283 C  CB  . VAL A 168 ? 0.2511 0.2730 0.1352 -0.0172 -0.0208 -0.0472 178 VAL H CB  
1284 C  CG1 . VAL A 168 ? 0.2691 0.2981 0.1675 -0.0342 -0.0490 -0.0629 178 VAL H CG1 
1285 C  CG2 . VAL A 168 ? 0.2627 0.2970 0.1349 -0.0371 -0.0188 -0.0524 178 VAL H CG2 
1286 N  N   . HIS A 169 ? 0.2196 0.2031 0.1584 -0.0145 -0.0235 0.0095  179 HIS H N   
1287 C  CA  . HIS A 169 ? 0.2226 0.1985 0.1138 -0.0176 -0.0060 0.0028  179 HIS H CA  
1288 C  C   . HIS A 169 ? 0.2171 0.2296 0.1153 -0.0270 -0.0173 0.0008  179 HIS H C   
1289 O  O   . HIS A 169 ? 0.2391 0.2398 0.1408 -0.0469 -0.0469 0.0084  179 HIS H O   
1290 C  CB  . HIS A 169 ? 0.2722 0.2121 0.1297 -0.0170 -0.0195 0.0090  179 HIS H CB  
1291 C  CG  . HIS A 169 ? 0.2918 0.2536 0.1767 0.0068  -0.0236 0.0061  179 HIS H CG  
1292 N  ND1 . HIS A 169 ? 0.2880 0.2588 0.1774 0.0167  0.0035  0.0154  179 HIS H ND1 
1293 C  CD2 . HIS A 169 ? 0.2876 0.2489 0.2000 0.0011  -0.0281 -0.0168 179 HIS H CD2 
1294 C  CE1 . HIS A 169 ? 0.3266 0.2704 0.2224 0.0319  -0.0243 0.0137  179 HIS H CE1 
1295 N  NE2 . HIS A 169 ? 0.3070 0.2862 0.2569 0.0217  -0.0470 0.0099  179 HIS H NE2 
1296 N  N   . THR A 170 ? 0.2642 0.2063 0.1555 -0.0316 -0.0153 -0.0370 180 THR H N   
1297 C  CA  . THR A 170 ? 0.2595 0.1997 0.1270 -0.0186 -0.0210 -0.0160 180 THR H CA  
1298 C  C   . THR A 170 ? 0.2429 0.1849 0.1213 -0.0157 -0.0600 0.0002  180 THR H C   
1299 O  O   . THR A 170 ? 0.2842 0.1791 0.1869 -0.0353 -0.0397 0.0008  180 THR H O   
1300 C  CB  . THR A 170 ? 0.2697 0.2274 0.1445 -0.0327 -0.0300 -0.0324 180 THR H CB  
1301 O  OG1 . THR A 170 ? 0.2805 0.2397 0.1871 -0.0378 -0.0171 -0.0462 180 THR H OG1 
1302 C  CG2 . THR A 170 ? 0.2865 0.2877 0.1490 -0.0375 -0.0403 -0.0219 180 THR H CG2 
1303 N  N   . PHE A 171 ? 0.2144 0.1532 0.1511 -0.0028 -0.0549 0.0111  181 PHE H N   
1304 C  CA  . PHE A 171 ? 0.2206 0.1630 0.1421 -0.0151 -0.0541 0.0320  181 PHE H CA  
1305 C  C   . PHE A 171 ? 0.2360 0.1665 0.1248 -0.0170 -0.0701 0.0498  181 PHE H C   
1306 O  O   . PHE A 171 ? 0.2517 0.2019 0.1117 -0.0145 -0.0740 0.0558  181 PHE H O   
1307 C  CB  . PHE A 171 ? 0.2227 0.1702 0.0842 -0.0143 -0.0225 0.0497  181 PHE H CB  
1308 C  CG  . PHE A 171 ? 0.2371 0.1689 0.0962 -0.0255 -0.0410 0.0440  181 PHE H CG  
1309 C  CD1 . PHE A 171 ? 0.2437 0.1889 0.0836 -0.0216 -0.0522 0.0445  181 PHE H CD1 
1310 C  CD2 . PHE A 171 ? 0.2709 0.2145 0.0687 -0.0418 -0.0656 0.0575  181 PHE H CD2 
1311 C  CE1 . PHE A 171 ? 0.2682 0.2102 0.0859 -0.0126 -0.0767 0.0480  181 PHE H CE1 
1312 C  CE2 . PHE A 171 ? 0.2962 0.2499 0.1143 -0.0325 -0.0795 0.0300  181 PHE H CE2 
1313 C  CZ  . PHE A 171 ? 0.2704 0.2262 0.0884 -0.0301 -0.0840 0.0225  181 PHE H CZ  
1314 N  N   . PRO A 172 ? 0.2299 0.1666 0.1568 -0.0192 -0.0712 0.0557  182 PRO H N   
1315 C  CA  . PRO A 172 ? 0.2517 0.2148 0.1642 -0.0388 -0.0896 0.0812  182 PRO H CA  
1316 C  C   . PRO A 172 ? 0.2279 0.2347 0.1589 -0.0374 -0.0665 0.1027  182 PRO H C   
1317 O  O   . PRO A 172 ? 0.2801 0.2387 0.1453 -0.0236 -0.0670 0.0879  182 PRO H O   
1318 C  CB  . PRO A 172 ? 0.2893 0.2223 0.1912 -0.0483 -0.0843 0.0938  182 PRO H CB  
1319 C  CG  . PRO A 172 ? 0.2875 0.2347 0.2098 -0.0495 -0.0964 0.0743  182 PRO H CG  
1320 C  CD  . PRO A 172 ? 0.2714 0.1891 0.1498 -0.0402 -0.0970 0.0599  182 PRO H CD  
1321 N  N   . ALA A 173 ? 0.2477 0.2509 0.1630 -0.0385 -0.0770 0.1142  183 ALA H N   
1322 C  CA  . ALA A 173 ? 0.2528 0.3015 0.1597 -0.0132 -0.0621 0.1438  183 ALA H CA  
1323 C  C   . ALA A 173 ? 0.2703 0.3131 0.1912 -0.0172 -0.0451 0.1483  183 ALA H C   
1324 O  O   . ALA A 173 ? 0.2733 0.3439 0.2520 -0.0329 -0.0142 0.1809  183 ALA H O   
1325 C  CB  . ALA A 173 ? 0.2513 0.3783 0.1849 -0.0034 -0.0791 0.1543  183 ALA H CB  
1326 N  N   . VAL A 174 ? 0.3027 0.3274 0.1400 0.0000  -0.0251 0.1358  184 VAL H N   
1327 C  CA  . VAL A 174 ? 0.2985 0.3860 0.2038 0.0056  0.0078  0.1356  184 VAL H CA  
1328 C  C   . VAL A 174 ? 0.2810 0.4083 0.0989 -0.0196 0.0168  0.1466  184 VAL H C   
1329 O  O   . VAL A 174 ? 0.2493 0.3456 0.0967 -0.0103 0.0099  0.1121  184 VAL H O   
1330 C  CB  . VAL A 174 ? 0.3799 0.4483 0.2198 -0.0040 -0.0784 0.1375  184 VAL H CB  
1331 C  CG1 . VAL A 174 ? 0.4081 0.4774 0.2274 0.0306  -0.0897 0.1335  184 VAL H CG1 
1332 C  CG2 . VAL A 174 ? 0.3811 0.4854 0.2937 0.0122  -0.0744 0.0365  184 VAL H CG2 
1333 N  N   . LEU A 175 ? 0.2759 0.4508 0.2193 -0.0137 0.0229  0.1651  185 LEU H N   
1334 C  CA  . LEU A 175 ? 0.2618 0.5086 0.1350 -0.0156 0.0170  0.1396  185 LEU H CA  
1335 C  C   . LEU A 175 ? 0.3212 0.5326 0.1223 -0.0171 0.0005  0.1259  185 LEU H C   
1336 O  O   . LEU A 175 ? 0.3849 0.5870 0.1060 -0.0288 0.0333  0.1115  185 LEU H O   
1337 C  CB  . LEU A 175 ? 0.3133 0.4920 0.2276 -0.0243 0.0240  0.1535  185 LEU H CB  
1338 C  CG  . LEU A 175 ? 0.2980 0.5310 0.3260 -0.0091 0.0130  0.1394  185 LEU H CG  
1339 C  CD1 . LEU A 175 ? 0.3196 0.5155 0.3286 0.0026  -0.0304 0.1663  185 LEU H CD1 
1340 C  CD2 . LEU A 175 ? 0.2993 0.5409 0.4369 -0.0090 0.0206  0.1324  185 LEU H CD2 
1341 N  N   . GLN A 176 ? 0.3462 0.5170 0.0823 -0.0098 0.0057  0.0946  186 GLN H N   
1342 C  CA  . GLN A 176 ? 0.3514 0.5204 0.1484 -0.0357 -0.0267 0.0273  186 GLN H CA  
1343 C  C   . GLN A 176 ? 0.3592 0.5695 0.1961 -0.0151 0.0586  0.0122  186 GLN H C   
1344 O  O   . GLN A 176 ? 0.3290 0.5887 0.2560 0.0027  0.0702  -0.0065 186 GLN H O   
1345 C  CB  . GLN A 176 ? 0.3344 0.5248 0.1181 -0.0517 -0.0523 0.0307  186 GLN H CB  
1346 C  CG  . GLN A 176 ? 0.3241 0.5072 0.1270 -0.0608 -0.0507 0.0249  186 GLN H CG  
1347 C  CD  . GLN A 176 ? 0.3214 0.4831 0.1171 -0.0598 -0.0840 0.0119  186 GLN H CD  
1348 O  OE1 . GLN A 176 ? 0.4200 0.4785 0.1278 -0.0979 -0.0411 -0.0236 186 GLN H OE1 
1349 N  NE2 . GLN A 176 ? 0.3507 0.4632 0.1121 -0.0196 -0.0707 -0.0272 186 GLN H NE2 
1350 N  N   . SER A 177 ? 0.4573 0.6515 0.1554 0.0068  0.0596  -0.0036 187 SER H N   
1351 C  CA  . SER A 177 ? 0.4834 0.7159 0.2307 0.0356  0.0771  -0.0777 187 SER H CA  
1352 C  C   . SER A 177 ? 0.3967 0.6812 0.2532 0.0376  0.0863  -0.1029 187 SER H C   
1353 O  O   . SER A 177 ? 0.4014 0.7489 0.3180 0.0787  0.1180  -0.0932 187 SER H O   
1354 C  CB  . SER A 177 ? 0.5771 0.8982 0.1167 0.0373  0.0866  -0.1310 187 SER H CB  
1355 O  OG  . SER A 177 ? 0.7166 0.9366 0.4185 0.0372  0.0188  -0.0394 187 SER H OG  
1356 N  N   . SER A 178 ? 0.3725 0.5745 0.2588 0.0449  0.0577  -0.1026 188 SER H N   
1357 C  CA  . SER A 178 ? 0.3224 0.5104 0.3150 0.0766  0.0147  -0.0755 188 SER H CA  
1358 C  C   . SER A 178 ? 0.3035 0.4771 0.3076 0.0596  -0.0003 -0.0472 188 SER H C   
1359 O  O   . SER A 178 ? 0.3258 0.4706 0.3690 0.0766  -0.0234 -0.0134 188 SER H O   
1360 C  CB  . SER A 178 ? 0.3281 0.4621 0.2581 0.0853  -0.0034 -0.0743 188 SER H CB  
1361 O  OG  . SER A 178 ? 0.3388 0.4254 0.2206 0.0893  -0.0088 -0.1034 188 SER H OG  
1362 N  N   . GLY A 179 ? 0.2591 0.4777 0.2866 0.0446  0.0379  -0.0236 189 GLY H N   
1363 C  CA  . GLY A 179 ? 0.2381 0.4812 0.2374 0.0114  -0.0002 -0.0040 189 GLY H CA  
1364 C  C   . GLY A 179 ? 0.2252 0.4131 0.1714 0.0151  -0.0179 0.0021  189 GLY H C   
1365 O  O   . GLY A 179 ? 0.2255 0.3840 0.2173 0.0054  0.0014  0.0310  189 GLY H O   
1366 N  N   . LEU A 180 ? 0.2418 0.3288 0.1353 0.0183  -0.0024 0.0012  190 LEU H N   
1367 C  CA  . LEU A 180 ? 0.2300 0.3056 0.1017 0.0355  -0.0254 0.0054  190 LEU H CA  
1368 C  C   . LEU A 180 ? 0.2301 0.2773 0.1041 0.0281  -0.0195 0.0288  190 LEU H C   
1369 O  O   . LEU A 180 ? 0.2325 0.3905 0.1051 0.0299  -0.0144 0.0118  190 LEU H O   
1370 C  CB  . LEU A 180 ? 0.2521 0.2827 0.1077 0.0243  -0.0496 -0.0047 190 LEU H CB  
1371 C  CG  . LEU A 180 ? 0.2681 0.2748 0.1172 0.0297  -0.0354 0.0179  190 LEU H CG  
1372 C  CD1 . LEU A 180 ? 0.2885 0.2705 0.1325 0.0307  -0.0398 0.0136  190 LEU H CD1 
1373 C  CD2 . LEU A 180 ? 0.2588 0.2379 0.1264 0.0327  -0.0291 0.0179  190 LEU H CD2 
1374 N  N   . TYR A 181 ? 0.1931 0.2454 0.0964 0.0119  -0.0332 0.0277  191 TYR H N   
1375 C  CA  . TYR A 181 ? 0.2282 0.2273 0.0741 0.0069  -0.0246 0.0756  191 TYR H CA  
1376 C  C   . TYR A 181 ? 0.2263 0.2549 0.0996 0.0006  -0.0253 0.0782  191 TYR H C   
1377 O  O   . TYR A 181 ? 0.2467 0.2500 0.0661 0.0041  -0.0287 0.0592  191 TYR H O   
1378 C  CB  . TYR A 181 ? 0.2217 0.2388 0.0974 0.0100  -0.0436 0.0724  191 TYR H CB  
1379 C  CG  . TYR A 181 ? 0.2347 0.2157 0.1570 0.0114  -0.0558 0.0895  191 TYR H CG  
1380 C  CD1 . TYR A 181 ? 0.2624 0.2515 0.1705 -0.0114 -0.0582 0.1104  191 TYR H CD1 
1381 C  CD2 . TYR A 181 ? 0.2157 0.2285 0.1828 0.0023  -0.0516 0.0917  191 TYR H CD2 
1382 C  CE1 . TYR A 181 ? 0.2614 0.2399 0.2295 -0.0157 -0.0452 0.1423  191 TYR H CE1 
1383 C  CE2 . TYR A 181 ? 0.2268 0.2177 0.2518 0.0000  -0.0471 0.0842  191 TYR H CE2 
1384 C  CZ  . TYR A 181 ? 0.2329 0.2670 0.2840 -0.0188 -0.0412 0.1132  191 TYR H CZ  
1385 O  OH  . TYR A 181 ? 0.2921 0.2835 0.4344 -0.0656 -0.0249 0.1501  191 TYR H OH  
1386 N  N   . SER A 182 ? 0.2308 0.2419 0.0859 -0.0191 -0.0308 0.0691  192 SER H N   
1387 C  CA  . SER A 182 ? 0.2318 0.2591 0.0972 -0.0075 -0.0393 0.0843  192 SER H CA  
1388 C  C   . SER A 182 ? 0.2142 0.2393 0.1577 -0.0248 -0.0473 0.0650  192 SER H C   
1389 O  O   . SER A 182 ? 0.2576 0.2763 0.1906 -0.0010 -0.0160 0.1065  192 SER H O   
1390 C  CB  . SER A 182 ? 0.2738 0.2934 0.2269 -0.0002 -0.0481 0.0376  192 SER H CB  
1391 O  OG  . SER A 182 ? 0.3313 0.3568 0.3400 0.0127  -0.0464 0.0812  192 SER H OG  
1392 N  N   . LEU A 183 ? 0.2162 0.2294 0.1421 -0.0372 -0.0510 0.0607  193 LEU H N   
1393 C  CA  . LEU A 183 ? 0.2183 0.2922 0.1554 -0.0410 -0.0401 0.0357  193 LEU H CA  
1394 C  C   . LEU A 183 ? 0.2090 0.2018 0.1304 -0.0161 -0.0756 0.0330  193 LEU H C   
1395 O  O   . LEU A 183 ? 0.2482 0.2182 0.1381 -0.0168 -0.0729 0.0568  193 LEU H O   
1396 C  CB  . LEU A 183 ? 0.3077 0.2682 0.3075 -0.0675 -0.0491 -0.0260 193 LEU H CB  
1397 C  CG  . LEU A 183 ? 0.3617 0.3589 0.2105 -0.0648 -0.0276 -0.0099 193 LEU H CG  
1398 C  CD1 . LEU A 183 ? 0.3394 0.3308 0.1419 -0.0761 -0.0442 0.0199  193 LEU H CD1 
1399 C  CD2 . LEU A 183 ? 0.3454 0.2756 0.0905 -0.0405 -0.0541 0.0008  193 LEU H CD2 
1400 N  N   . SER A 184 ? 0.2183 0.2341 0.1071 0.0014  -0.0552 0.0391  194 SER H N   
1401 C  CA  A SER A 184 ? 0.2174 0.2167 0.0803 -0.0054 -0.0586 0.0293  194 SER H CA  
1402 C  CA  B SER A 184 ? 0.2209 0.2294 0.0862 -0.0068 -0.0574 0.0258  194 SER H CA  
1403 C  C   . SER A 184 ? 0.2315 0.2139 0.0739 -0.0187 -0.0586 0.0189  194 SER H C   
1404 O  O   . SER A 184 ? 0.2272 0.2004 0.0802 0.0020  -0.0280 0.0452  194 SER H O   
1405 C  CB  A SER A 184 ? 0.2437 0.2295 0.0794 0.0077  -0.0502 0.0235  194 SER H CB  
1406 C  CB  B SER A 184 ? 0.2608 0.2686 0.0849 0.0050  -0.0514 0.0167  194 SER H CB  
1407 O  OG  A SER A 184 ? 0.2427 0.2088 0.1074 0.0050  -0.0408 0.0381  194 SER H OG  
1408 O  OG  B SER A 184 ? 0.2768 0.2700 0.1283 -0.0095 -0.0316 0.0322  194 SER H OG  
1409 N  N   . SER A 185 ? 0.2215 0.2095 0.0667 -0.0198 -0.0595 0.0190  195 SER H N   
1410 C  CA  . SER A 185 ? 0.2203 0.2090 0.1021 -0.0199 -0.0642 -0.0079 195 SER H CA  
1411 C  C   . SER A 185 ? 0.2229 0.2051 0.1229 -0.0295 -0.0561 -0.0215 195 SER H C   
1412 O  O   . SER A 185 ? 0.2414 0.2110 0.1650 -0.0241 -0.0566 -0.0113 195 SER H O   
1413 C  CB  . SER A 185 ? 0.2167 0.1939 0.1011 -0.0183 -0.0568 -0.0140 195 SER H CB  
1414 O  OG  . SER A 185 ? 0.2389 0.2290 0.1255 -0.0185 -0.0042 -0.0276 195 SER H OG  
1415 N  N   . VAL A 186 ? 0.2231 0.2134 0.1092 -0.0421 -0.0454 0.0017  196 VAL H N   
1416 C  CA  . VAL A 186 ? 0.2298 0.2311 0.1069 -0.0415 -0.0545 0.0037  196 VAL H CA  
1417 C  C   . VAL A 186 ? 0.2337 0.2642 0.1514 -0.0361 -0.0625 -0.0079 196 VAL H C   
1418 O  O   . VAL A 186 ? 0.2570 0.2647 0.1416 -0.0275 -0.0392 -0.0150 196 VAL H O   
1419 C  CB  . VAL A 186 ? 0.2614 0.2745 0.1112 -0.0290 -0.0632 -0.0182 196 VAL H CB  
1420 C  CG1 . VAL A 186 ? 0.2726 0.2707 0.0632 -0.0187 -0.0605 -0.0023 196 VAL H CG1 
1421 C  CG2 . VAL A 186 ? 0.2825 0.2832 0.1025 -0.0168 -0.0664 -0.0271 196 VAL H CG2 
1422 N  N   . VAL A 187 ? 0.2168 0.2335 0.1632 -0.0330 -0.0372 -0.0337 197 VAL H N   
1423 C  CA  . VAL A 187 ? 0.2089 0.3031 0.1740 -0.0444 -0.0354 -0.0505 197 VAL H CA  
1424 C  C   . VAL A 187 ? 0.2381 0.3453 0.1560 -0.0434 -0.0389 -0.0706 197 VAL H C   
1425 O  O   . VAL A 187 ? 0.2392 0.3594 0.1889 -0.0391 -0.0430 -0.0760 197 VAL H O   
1426 C  CB  . VAL A 187 ? 0.2311 0.3087 0.1596 -0.0454 -0.0272 -0.0656 197 VAL H CB  
1427 C  CG1 . VAL A 187 ? 0.2590 0.3333 0.2384 -0.0454 -0.0288 -0.0676 197 VAL H CG1 
1428 C  CG2 . VAL A 187 ? 0.2775 0.3574 0.1828 -0.0585 -0.0340 -0.0702 197 VAL H CG2 
1429 N  N   . THR A 188 ? 0.2533 0.3866 0.1673 -0.0593 -0.0091 -0.0483 198 THR H N   
1430 C  CA  . THR A 188 ? 0.2789 0.4193 0.1901 -0.0686 -0.0228 -0.0862 198 THR H CA  
1431 C  C   . THR A 188 ? 0.2937 0.4554 0.1965 -0.0814 0.0004  -0.1214 198 THR H C   
1432 O  O   . THR A 188 ? 0.2475 0.4382 0.2144 -0.0494 -0.0180 -0.0899 198 THR H O   
1433 C  CB  . THR A 188 ? 0.3000 0.4939 0.1732 -0.0718 -0.0471 -0.0625 198 THR H CB  
1434 O  OG1 . THR A 188 ? 0.3800 0.5332 0.1752 -0.0240 -0.0331 -0.0452 198 THR H OG1 
1435 C  CG2 . THR A 188 ? 0.3737 0.5337 0.2076 -0.0484 -0.0181 -0.0649 198 THR H CG2 
1436 N  N   . VAL A 189 ? 0.2755 0.5167 0.2657 -0.1081 0.0289  -0.1330 199 VAL H N   
1437 C  CA  . VAL A 189 ? 0.2415 0.5850 0.2468 -0.1225 -0.0074 -0.1756 199 VAL H CA  
1438 C  C   . VAL A 189 ? 0.2489 0.7126 0.2252 -0.1138 -0.0215 -0.1961 199 VAL H C   
1439 O  O   . VAL A 189 ? 0.3725 0.6303 0.1790 -0.0846 -0.0312 -0.1438 199 VAL H O   
1440 C  CB  . VAL A 189 ? 0.2597 0.5875 0.2230 -0.1205 -0.1348 -0.1978 199 VAL H CB  
1441 C  CG1 . VAL A 189 ? 0.3256 0.5890 0.3019 -0.1074 -0.0675 -0.1718 199 VAL H CG1 
1442 C  CG2 . VAL A 189 ? 0.3475 0.6869 0.3914 -0.1206 -0.0396 -0.1123 199 VAL H CG2 
1443 N  N   . PRO A 190 ? 0.2889 0.7405 0.2379 -0.1273 0.0571  -0.1823 200 PRO H N   
1444 C  CA  . PRO A 190 ? 0.2406 0.7865 0.3577 -0.1052 -0.0042 -0.1738 200 PRO H CA  
1445 C  C   . PRO A 190 ? 0.3842 0.7692 0.4989 -0.0757 0.0911  -0.0970 200 PRO H C   
1446 O  O   . PRO A 190 ? 0.4162 0.7180 0.4279 -0.2034 -0.0536 -0.0740 200 PRO H O   
1447 C  CB  . PRO A 190 ? 0.2633 0.8004 0.3650 -0.0774 0.0252  -0.1748 200 PRO H CB  
1448 C  CG  . PRO A 190 ? 0.2722 0.8022 0.3640 -0.0939 0.0469  -0.1381 200 PRO H CG  
1449 C  CD  . PRO A 190 ? 0.2526 0.7840 0.2888 -0.0720 0.0538  -0.1917 200 PRO H CD  
1450 N  N   . SER A 191 ? 0.5011 0.7605 0.4928 -0.1898 0.1447  -0.0945 201 SER H N   
1451 C  CA  . SER A 191 ? 0.5841 0.8158 0.7907 -0.0349 0.3789  0.1965  201 SER H CA  
1452 C  C   . SER A 191 ? 0.7640 0.9554 0.5957 0.1166  0.2402  0.1021  201 SER H C   
1453 O  O   . SER A 191 ? 1.0085 1.2047 0.8044 0.1008  0.0756  -0.0175 201 SER H O   
1454 C  CB  . SER A 191 ? 0.5999 0.7571 0.7922 -0.1174 0.3362  0.1448  201 SER H CB  
1455 O  OG  . SER A 191 ? 0.6053 0.7806 0.6883 -0.0971 0.2420  0.0450  201 SER H OG  
1456 N  N   . SER A 192 ? 0.6734 0.9934 0.7806 0.0269  0.3202  0.1816  202 SER H N   
1457 C  CA  . SER A 192 ? 0.6170 0.9101 0.8609 -0.1668 0.2847  0.1427  202 SER H CA  
1458 C  C   . SER A 192 ? 0.5429 0.8759 0.7515 -0.3171 0.2049  0.0032  202 SER H C   
1459 O  O   . SER A 192 ? 0.6696 0.9533 0.5453 -0.3970 0.2740  -0.0686 202 SER H O   
1460 C  CB  . SER A 192 ? 0.5314 0.9211 0.8594 -0.2138 0.2068  0.1102  202 SER H CB  
1461 O  OG  . SER A 192 ? 0.4971 0.9582 0.6957 -0.1782 0.0754  0.2376  202 SER H OG  
1462 N  N   . SER A 193 ? 0.6382 0.7673 0.4104 -0.3063 0.1412  -0.1923 203 SER H N   
1463 C  CA  A SER A 193 ? 0.5105 0.8441 0.3963 -0.2133 0.1639  -0.0603 203 SER H CA  
1464 C  CA  B SER A 193 ? 0.5994 0.8637 0.4355 -0.2267 0.1430  -0.0836 203 SER H CA  
1465 C  C   . SER A 193 ? 0.5519 0.8513 0.4547 -0.2253 0.1639  -0.0695 203 SER H C   
1466 O  O   . SER A 193 ? 0.5244 0.9734 0.4046 -0.2109 0.0391  -0.0695 203 SER H O   
1467 C  CB  A SER A 193 ? 0.4148 0.8226 0.5336 -0.1933 0.2386  0.0127  203 SER H CB  
1468 C  CB  B SER A 193 ? 0.6164 0.8656 0.6229 -0.2245 0.1850  -0.0393 203 SER H CB  
1469 O  OG  A SER A 193 ? 0.3404 0.7837 0.5752 -0.0892 0.2202  0.0531  203 SER H OG  
1470 O  OG  B SER A 193 ? 0.5628 0.8828 0.6801 -0.1793 0.2014  -0.0204 203 SER H OG  
1471 N  N   . LEU A 194 ? 0.5738 0.8477 0.3715 -0.2760 0.0431  -0.1169 204 LEU H N   
1472 C  CA  . LEU A 194 ? 0.5802 0.7743 0.3802 -0.2996 0.0185  -0.1751 204 LEU H CA  
1473 C  C   . LEU A 194 ? 0.5408 0.8180 0.4666 -0.3359 0.0331  -0.1322 204 LEU H C   
1474 O  O   . LEU A 194 ? 0.4985 0.8540 0.4450 -0.2130 0.1061  -0.2125 204 LEU H O   
1475 C  CB  . LEU A 194 ? 0.5676 0.7541 0.4100 -0.2593 0.0029  -0.1444 204 LEU H CB  
1476 C  CG  . LEU A 194 ? 0.5740 0.6844 0.4036 -0.2652 0.0045  -0.1433 204 LEU H CG  
1477 C  CD1 . LEU A 194 ? 0.6346 0.6476 0.4501 -0.2345 -0.0076 -0.1740 204 LEU H CD1 
1478 C  CD2 . LEU A 194 ? 0.5391 0.6872 0.3479 -0.2306 0.0151  -0.1027 204 LEU H CD2 
1479 N  N   . GLY A 195 ? 0.5177 0.9199 0.4426 -0.3465 0.0453  -0.1136 205 GLY H N   
1480 C  CA  . GLY A 195 ? 0.7311 0.8681 0.4341 -0.3269 0.0456  -0.1225 205 GLY H CA  
1481 C  C   . GLY A 195 ? 0.8335 0.9975 0.4233 -0.1911 0.0679  -0.0804 205 GLY H C   
1482 O  O   . GLY A 195 ? 0.7531 1.0145 0.6199 -0.1890 0.0214  -0.0011 205 GLY H O   
1483 N  N   . THR A 196 ? 0.9902 0.9897 0.3873 -0.1448 0.0645  -0.1520 206 THR H N   
1484 C  CA  . THR A 196 ? 1.1523 1.1817 0.4352 0.0129  0.2686  -0.0595 206 THR H CA  
1485 C  C   . THR A 196 ? 1.0366 1.1213 0.2191 -0.0434 0.3671  -0.0692 206 THR H C   
1486 O  O   . THR A 196 ? 0.7553 1.6424 0.2038 -0.2914 0.2317  0.3474  206 THR H O   
1487 C  CB  . THR A 196 ? 1.0974 1.1769 0.5754 -0.0774 0.1914  -0.1523 206 THR H CB  
1488 O  OG1 . THR A 196 ? 0.9954 1.2157 0.6326 -0.0941 0.1856  -0.1870 206 THR H OG1 
1489 C  CG2 . THR A 196 ? 1.1135 1.2240 0.5727 -0.0660 0.1753  -0.1660 206 THR H CG2 
1490 N  N   . GLN A 197 ? 0.9577 0.7922 0.3415 -0.0902 0.0713  -0.1810 207 GLN H N   
1491 C  CA  . GLN A 197 ? 0.7578 0.9234 0.2969 -0.1561 0.1057  -0.1149 207 GLN H CA  
1492 C  C   . GLN A 197 ? 0.6005 0.8702 0.3112 -0.2797 0.0110  -0.1189 207 GLN H C   
1493 O  O   . GLN A 197 ? 0.5676 0.7953 0.3808 -0.3080 0.0007  -0.1922 207 GLN H O   
1494 C  CB  . GLN A 197 ? 0.5096 0.8797 0.2894 -0.2877 0.0578  -0.1725 207 GLN H CB  
1495 C  CG  . GLN A 197 ? 0.5630 0.8525 0.2458 -0.2652 0.1310  -0.1845 207 GLN H CG  
1496 C  CD  . GLN A 197 ? 0.4746 0.9334 0.2352 -0.2926 0.1036  -0.1721 207 GLN H CD  
1497 O  OE1 . GLN A 197 ? 0.4562 0.9712 0.5580 -0.2097 0.1927  -0.2169 207 GLN H OE1 
1498 N  NE2 . GLN A 197 ? 0.4987 1.0011 0.4400 -0.2427 0.0151  -0.1757 207 GLN H NE2 
1499 N  N   . THR A 198 ? 0.4783 0.8478 0.2114 -0.2814 0.0888  0.0089  208 THR H N   
1500 C  CA  . THR A 198 ? 0.4719 0.7931 0.2913 -0.2624 0.1148  -0.0207 208 THR H CA  
1501 C  C   . THR A 198 ? 0.4192 0.7330 0.2155 -0.2043 0.1223  -0.0463 208 THR H C   
1502 O  O   . THR A 198 ? 0.3726 0.6948 0.3499 -0.2092 0.0773  -0.0630 208 THR H O   
1503 C  CB  . THR A 198 ? 0.5320 0.8501 0.3469 -0.2828 0.1267  0.0503  208 THR H CB  
1504 O  OG1 . THR A 198 ? 0.5991 0.8284 0.5073 -0.3591 0.1196  0.0368  208 THR H OG1 
1505 C  CG2 . THR A 198 ? 0.5321 0.9006 0.3473 -0.3219 0.1305  0.0512  208 THR H CG2 
1506 N  N   . TYR A 199 ? 0.3456 0.6096 0.2509 -0.1848 0.0898  -0.1700 209 TYR H N   
1507 C  CA  . TYR A 199 ? 0.2914 0.6251 0.2206 -0.1624 0.0810  -0.1135 209 TYR H CA  
1508 C  C   . TYR A 199 ? 0.2851 0.5781 0.2228 -0.1616 0.0579  -0.0709 209 TYR H C   
1509 O  O   . TYR A 199 ? 0.3257 0.5552 0.2675 -0.1407 0.0260  -0.1129 209 TYR H O   
1510 C  CB  . TYR A 199 ? 0.2673 0.6512 0.2159 -0.1607 0.0567  -0.1261 209 TYR H CB  
1511 C  CG  . TYR A 199 ? 0.2598 0.6483 0.1951 -0.1523 0.0379  -0.1511 209 TYR H CG  
1512 C  CD1 . TYR A 199 ? 0.2829 0.6256 0.2257 -0.1846 0.0102  -0.1509 209 TYR H CD1 
1513 C  CD2 . TYR A 199 ? 0.3132 0.6418 0.2620 -0.1619 0.0235  -0.1766 209 TYR H CD2 
1514 C  CE1 . TYR A 199 ? 0.2850 0.6112 0.2543 -0.1684 0.0260  -0.1914 209 TYR H CE1 
1515 C  CE2 . TYR A 199 ? 0.2841 0.6438 0.2939 -0.1968 0.0096  -0.2065 209 TYR H CE2 
1516 C  CZ  . TYR A 199 ? 0.2583 0.6573 0.2482 -0.1820 0.0275  -0.1787 209 TYR H CZ  
1517 O  OH  . TYR A 199 ? 0.2522 0.7632 0.2470 -0.1444 -0.0005 -0.2096 209 TYR H OH  
1518 N  N   . ILE A 200 ? 0.2779 0.5574 0.2073 -0.1519 0.0539  -0.0678 210 ILE H N   
1519 C  CA  . ILE A 200 ? 0.3109 0.5407 0.1916 -0.1735 0.0473  -0.0421 210 ILE H CA  
1520 C  C   . ILE A 200 ? 0.3203 0.4967 0.1725 -0.1465 0.0088  -0.0248 210 ILE H C   
1521 O  O   . ILE A 200 ? 0.2902 0.5350 0.1380 -0.1249 0.0273  -0.0257 210 ILE H O   
1522 C  CB  . ILE A 200 ? 0.3524 0.6102 0.1683 -0.1840 0.0301  -0.0498 210 ILE H CB  
1523 C  CG1 . ILE A 200 ? 0.3718 0.6157 0.1907 -0.2053 0.0419  -0.0820 210 ILE H CG1 
1524 C  CG2 . ILE A 200 ? 0.3465 0.6254 0.1612 -0.1882 0.0636  -0.0361 210 ILE H CG2 
1525 C  CD1 . ILE A 200 ? 0.4054 0.6453 0.2303 -0.1961 0.0954  -0.0702 210 ILE H CD1 
1526 N  N   . CYS A 201 ? 0.3222 0.3878 0.1119 -0.1411 0.0051  -0.0084 211 CYS H N   
1527 C  CA  . CYS A 201 ? 0.3053 0.4164 0.1695 -0.1400 -0.0162 -0.0247 211 CYS H CA  
1528 C  C   . CYS A 201 ? 0.3225 0.4378 0.1422 -0.1237 -0.0027 -0.0413 211 CYS H C   
1529 O  O   . CYS A 201 ? 0.2961 0.4602 0.1485 -0.1277 -0.0341 -0.0067 211 CYS H O   
1530 C  CB  . CYS A 201 ? 0.3315 0.3955 0.1368 -0.1076 -0.0257 -0.0440 211 CYS H CB  
1531 S  SG  . CYS A 201 ? 0.3396 0.3968 0.1341 -0.0652 -0.0354 0.0021  211 CYS H SG  
1532 N  N   . ASN A 202 ? 0.2892 0.4612 0.1203 -0.1751 0.0108  -0.0388 212 ASN H N   
1533 C  CA  . ASN A 202 ? 0.2837 0.4692 0.1277 -0.1310 0.0026  -0.0396 212 ASN H CA  
1534 C  C   . ASN A 202 ? 0.2616 0.3888 0.1301 -0.1096 -0.0156 -0.0433 212 ASN H C   
1535 O  O   . ASN A 202 ? 0.2705 0.3865 0.1630 -0.0944 0.0254  -0.0456 212 ASN H O   
1536 C  CB  . ASN A 202 ? 0.2715 0.4857 0.1581 -0.1439 -0.0089 -0.0549 212 ASN H CB  
1537 C  CG  . ASN A 202 ? 0.2851 0.5046 0.1768 -0.1566 -0.0135 -0.0422 212 ASN H CG  
1538 O  OD1 . ASN A 202 ? 0.3633 0.5953 0.1497 -0.1366 0.0702  -0.0490 212 ASN H OD1 
1539 N  ND2 . ASN A 202 ? 0.3428 0.5314 0.1499 -0.1434 0.0261  0.0112  212 ASN H ND2 
1540 N  N   . VAL A 203 ? 0.2915 0.3778 0.1342 -0.0951 0.0185  -0.0364 213 VAL H N   
1541 C  CA  . VAL A 203 ? 0.2763 0.3337 0.1289 -0.1019 0.0007  -0.0104 213 VAL H CA  
1542 C  C   . VAL A 203 ? 0.2603 0.3593 0.1593 -0.0839 -0.0203 -0.0195 213 VAL H C   
1543 O  O   . VAL A 203 ? 0.3302 0.4448 0.1498 -0.1537 -0.0445 0.0327  213 VAL H O   
1544 C  CB  . VAL A 203 ? 0.2802 0.3424 0.1418 -0.0654 -0.0131 0.0017  213 VAL H CB  
1545 C  CG1 . VAL A 203 ? 0.2920 0.3648 0.0991 -0.0447 0.0063  0.0083  213 VAL H CG1 
1546 C  CG2 . VAL A 203 ? 0.2998 0.3183 0.1124 -0.0595 -0.0046 -0.0070 213 VAL H CG2 
1547 N  N   . ASN A 204 ? 0.2427 0.3611 0.1543 -0.0670 0.0123  -0.0394 214 ASN H N   
1548 C  CA  . ASN A 204 ? 0.2458 0.3693 0.1245 -0.0440 0.0117  -0.0608 214 ASN H CA  
1549 C  C   . ASN A 204 ? 0.2400 0.3145 0.1785 -0.0419 -0.0046 -0.0122 214 ASN H C   
1550 O  O   . ASN A 204 ? 0.2345 0.3450 0.2259 -0.0193 -0.0205 0.0133  214 ASN H O   
1551 C  CB  . ASN A 204 ? 0.2382 0.3818 0.2153 -0.0396 -0.0183 -0.0948 214 ASN H CB  
1552 C  CG  . ASN A 204 ? 0.3225 0.4408 0.1941 -0.0452 0.0009  -0.1019 214 ASN H CG  
1553 O  OD1 . ASN A 204 ? 0.4393 0.5494 0.3107 0.0059  0.0210  -0.1649 214 ASN H OD1 
1554 N  ND2 . ASN A 204 ? 0.3390 0.4876 0.2504 -0.0499 0.0064  -0.0906 214 ASN H ND2 
1555 N  N   . HIS A 205 ? 0.2356 0.3037 0.1320 -0.0629 -0.0090 -0.0092 215 HIS H N   
1556 C  CA  . HIS A 205 ? 0.2328 0.2542 0.1358 -0.0443 -0.0129 0.0053  215 HIS H CA  
1557 C  C   . HIS A 205 ? 0.2361 0.2818 0.1486 -0.0402 -0.0163 -0.0106 215 HIS H C   
1558 O  O   . HIS A 205 ? 0.2440 0.3092 0.1339 -0.0387 -0.0173 -0.0004 215 HIS H O   
1559 C  CB  . HIS A 205 ? 0.2291 0.2255 0.1492 -0.0268 -0.0400 0.0126  215 HIS H CB  
1560 C  CG  . HIS A 205 ? 0.2251 0.1994 0.1086 -0.0271 -0.0210 0.0180  215 HIS H CG  
1561 N  ND1 . HIS A 205 ? 0.2252 0.2152 0.1331 -0.0259 -0.0172 0.0319  215 HIS H ND1 
1562 C  CD2 . HIS A 205 ? 0.2340 0.1863 0.1080 -0.0180 -0.0418 0.0247  215 HIS H CD2 
1563 C  CE1 . HIS A 205 ? 0.2145 0.2050 0.1411 -0.0186 -0.0099 0.0342  215 HIS H CE1 
1564 N  NE2 . HIS A 205 ? 0.2323 0.2026 0.0945 -0.0146 -0.0200 0.0192  215 HIS H NE2 
1565 N  N   . LYS A 206 ? 0.2254 0.2892 0.1482 -0.0351 -0.0009 -0.0057 216 LYS H N   
1566 C  CA  . LYS A 206 ? 0.2429 0.3556 0.1607 -0.0349 -0.0123 -0.0502 216 LYS H CA  
1567 C  C   . LYS A 206 ? 0.2428 0.3593 0.1525 -0.0389 -0.0114 -0.0462 216 LYS H C   
1568 O  O   . LYS A 206 ? 0.2875 0.4156 0.1316 -0.0479 -0.0201 -0.0454 216 LYS H O   
1569 C  CB  . LYS A 206 ? 0.2798 0.3877 0.1756 -0.0348 -0.0173 -0.0899 216 LYS H CB  
1570 C  CG  . LYS A 206 ? 0.2904 0.4589 0.2798 -0.0376 -0.0025 -0.0842 216 LYS H CG  
1571 C  CD  . LYS A 206 ? 0.3843 0.5043 0.3879 -0.0197 0.0328  -0.0754 216 LYS H CD  
1572 C  CE  . LYS A 206 ? 0.3934 0.6492 0.5332 -0.0273 -0.0077 -0.0758 216 LYS H CE  
1573 N  NZ  . LYS A 206 ? 0.4897 0.7202 0.5920 -0.0221 -0.0209 -0.1538 216 LYS H NZ  
1574 N  N   . PRO A 207 ? 0.2498 0.3140 0.1392 -0.0464 -0.0171 -0.0606 217 PRO H N   
1575 C  CA  . PRO A 207 ? 0.2592 0.3160 0.1260 -0.0172 -0.0223 -0.0332 217 PRO H CA  
1576 C  C   . PRO A 207 ? 0.2657 0.3042 0.1535 -0.0309 -0.0273 -0.0295 217 PRO H C   
1577 O  O   . PRO A 207 ? 0.2518 0.3727 0.1856 -0.0329 -0.0383 -0.0242 217 PRO H O   
1578 C  CB  . PRO A 207 ? 0.2641 0.3373 0.1473 -0.0133 -0.0088 -0.0518 217 PRO H CB  
1579 C  CG  . PRO A 207 ? 0.2537 0.3204 0.1622 -0.0362 -0.0185 -0.0461 217 PRO H CG  
1580 C  CD  . PRO A 207 ? 0.2298 0.3099 0.1514 -0.0404 -0.0109 -0.0458 217 PRO H CD  
1581 N  N   . SER A 208 ? 0.2603 0.3097 0.1724 -0.0531 -0.0393 0.0193  218 SER H N   
1582 C  CA  . SER A 208 ? 0.2914 0.3287 0.1785 -0.0435 -0.0445 0.0256  218 SER H CA  
1583 C  C   . SER A 208 ? 0.3311 0.3717 0.1518 -0.0542 -0.0552 0.0539  218 SER H C   
1584 O  O   . SER A 208 ? 0.3611 0.3856 0.1532 -0.0220 -0.0464 0.0866  218 SER H O   
1585 C  CB  . SER A 208 ? 0.3032 0.3095 0.1906 -0.0261 -0.0357 0.0400  218 SER H CB  
1586 O  OG  . SER A 208 ? 0.2832 0.2549 0.1413 -0.0512 -0.0346 0.0543  218 SER H OG  
1587 N  N   . ASN A 209 ? 0.3060 0.4301 0.1169 -0.0554 -0.0228 0.0349  219 ASN H N   
1588 C  CA  . ASN A 209 ? 0.3382 0.4959 0.1050 -0.0739 -0.0263 0.0804  219 ASN H CA  
1589 C  C   . ASN A 209 ? 0.3609 0.4910 0.1303 -0.0940 -0.0164 0.1106  219 ASN H C   
1590 O  O   . ASN A 209 ? 0.4253 0.5540 0.1919 -0.1252 0.0037  0.1347  219 ASN H O   
1591 C  CB  . ASN A 209 ? 0.3437 0.5657 0.0999 -0.0390 -0.0159 0.0625  219 ASN H CB  
1592 C  CG  . ASN A 209 ? 0.4303 0.6125 0.2451 -0.0166 -0.0308 0.0052  219 ASN H CG  
1593 O  OD1 . ASN A 209 ? 0.4956 0.7239 0.5463 -0.0339 -0.0872 0.0214  219 ASN H OD1 
1594 N  ND2 . ASN A 209 ? 0.4617 0.6734 0.3430 0.0103  -0.0309 0.0163  219 ASN H ND2 
1595 N  N   . THR A 210 ? 0.3585 0.4780 0.1424 -0.1122 -0.0221 0.1283  220 THR H N   
1596 C  CA  . THR A 210 ? 0.3977 0.4580 0.1752 -0.1195 -0.0213 0.1240  220 THR H CA  
1597 C  C   . THR A 210 ? 0.3754 0.4679 0.1351 -0.1386 -0.0094 0.1052  220 THR H C   
1598 O  O   . THR A 210 ? 0.3901 0.4870 0.2003 -0.1430 -0.0227 0.1350  220 THR H O   
1599 C  CB  . THR A 210 ? 0.4004 0.3861 0.2478 -0.1069 -0.0346 0.0891  220 THR H CB  
1600 O  OG1 . THR A 210 ? 0.4414 0.3993 0.2321 -0.1221 -0.0012 0.1080  220 THR H OG1 
1601 C  CG2 . THR A 210 ? 0.4661 0.3426 0.2877 -0.0870 -0.0309 0.0674  220 THR H CG2 
1602 N  N   . LYS A 211 ? 0.3972 0.5488 0.0973 -0.1746 -0.0154 0.0666  221 LYS H N   
1603 C  CA  . LYS A 211 ? 0.4015 0.5101 0.1164 -0.1575 -0.0168 0.0506  221 LYS H CA  
1604 C  C   . LYS A 211 ? 0.4294 0.4781 0.1351 -0.1538 -0.0292 0.0382  221 LYS H C   
1605 O  O   . LYS A 211 ? 0.4452 0.4843 0.2285 -0.1546 -0.0694 0.0746  221 LYS H O   
1606 C  CB  . LYS A 211 ? 0.4435 0.6041 0.2056 -0.1791 0.0699  -0.0002 221 LYS H CB  
1607 C  CG  . LYS A 211 ? 0.5433 0.6602 0.2689 -0.1623 0.0860  -0.0676 221 LYS H CG  
1608 C  CD  . LYS A 211 ? 0.6063 0.7968 0.3040 -0.1119 0.1231  -0.0759 221 LYS H CD  
1609 C  CE  . LYS A 211 ? 0.7037 0.8490 0.3574 -0.0582 0.0570  -0.1250 221 LYS H CE  
1610 N  NZ  . LYS A 211 ? 0.8397 0.8755 0.4881 -0.0258 0.1071  -0.1937 221 LYS H NZ  
1611 N  N   . VAL A 212 ? 0.4489 0.4734 0.1198 -0.1530 -0.0424 0.0652  222 VAL H N   
1612 C  CA  . VAL A 212 ? 0.5087 0.4542 0.1532 -0.1723 -0.0466 0.0789  222 VAL H CA  
1613 C  C   . VAL A 212 ? 0.4363 0.4611 0.1888 -0.2083 -0.0389 0.0866  222 VAL H C   
1614 O  O   . VAL A 212 ? 0.4244 0.4485 0.2130 -0.1929 -0.0541 0.0705  222 VAL H O   
1615 C  CB  . VAL A 212 ? 0.5531 0.4412 0.1488 -0.1612 -0.0574 0.0859  222 VAL H CB  
1616 C  CG1 . VAL A 212 ? 0.6462 0.4525 0.1759 -0.1395 -0.0751 0.0573  222 VAL H CG1 
1617 C  CG2 . VAL A 212 ? 0.5776 0.4394 0.2081 -0.1658 -0.0682 0.0458  222 VAL H CG2 
1618 N  N   . ASP A 213 ? 0.4456 0.5409 0.1347 -0.2547 -0.0755 0.0415  223 ASP H N   
1619 C  CA  . ASP A 213 ? 0.4592 0.5359 0.1768 -0.2604 -0.0746 0.0987  223 ASP H CA  
1620 C  C   . ASP A 213 ? 0.4856 0.5385 0.1848 -0.2563 -0.0998 0.1157  223 ASP H C   
1621 O  O   . ASP A 213 ? 0.6363 0.5351 0.3030 -0.2814 -0.1857 0.1283  223 ASP H O   
1622 C  CB  . ASP A 213 ? 0.4573 0.6088 0.2315 -0.2672 -0.0595 0.0521  223 ASP H CB  
1623 C  CG  . ASP A 213 ? 0.5550 0.6452 0.1811 -0.1907 -0.0356 0.0402  223 ASP H CG  
1624 O  OD1 . ASP A 213 ? 0.5423 0.6046 0.2189 -0.1648 -0.0548 0.0223  223 ASP H OD1 
1625 O  OD2 . ASP A 213 ? 0.6158 0.7210 0.2382 -0.1737 -0.0658 0.1259  223 ASP H OD2 
1626 N  N   . LYS A 214 ? 0.4023 0.5106 0.1502 -0.2519 -0.0644 0.0818  224 LYS H N   
1627 C  CA  . LYS A 214 ? 0.4488 0.4746 0.2000 -0.2459 -0.0655 0.0927  224 LYS H CA  
1628 C  C   . LYS A 214 ? 0.4373 0.4913 0.1480 -0.2191 -0.0496 0.0838  224 LYS H C   
1629 O  O   . LYS A 214 ? 0.3948 0.4755 0.2142 -0.2106 -0.0619 0.0697  224 LYS H O   
1630 C  CB  . LYS A 214 ? 0.4621 0.4815 0.2627 -0.2367 -0.0368 0.0924  224 LYS H CB  
1631 C  CG  . LYS A 214 ? 0.5604 0.5139 0.2459 -0.1882 -0.0464 0.0969  224 LYS H CG  
1632 C  CD  . LYS A 214 ? 0.6655 0.5690 0.3126 -0.1610 -0.0321 0.1448  224 LYS H CD  
1633 C  CE  . LYS A 214 ? 0.7966 0.6121 0.4835 -0.1478 -0.0254 0.1243  224 LYS H CE  
1634 N  NZ  . LYS A 214 ? 0.9047 0.6420 0.5879 -0.1388 -0.0525 0.1792  224 LYS H NZ  
1635 N  N   . LYS A 215 ? 0.4817 0.5330 0.1582 -0.2449 -0.0324 0.0634  225 LYS H N   
1636 C  CA  . LYS A 215 ? 0.5077 0.5332 0.2184 -0.2600 -0.0396 0.0628  225 LYS H CA  
1637 C  C   . LYS A 215 ? 0.4817 0.5140 0.2099 -0.2121 -0.0518 0.0587  225 LYS H C   
1638 O  O   . LYS A 215 ? 0.5749 0.5139 0.2501 -0.1835 -0.1410 0.0915  225 LYS H O   
1639 C  CB  . LYS A 215 ? 0.6250 0.5986 0.2691 -0.2557 -0.0207 0.1571  225 LYS H CB  
1640 C  CG  . LYS A 215 ? 0.7253 0.7231 0.4594 -0.2030 -0.1337 0.1351  225 LYS H CG  
1641 C  CD  . LYS A 215 ? 0.8515 0.7711 0.3708 -0.1578 -0.1723 0.1718  225 LYS H CD  
1642 C  CE  . LYS A 215 ? 0.8398 0.7742 0.4592 -0.2364 -0.1656 0.1165  225 LYS H CE  
1643 N  NZ  . LYS A 215 ? 0.9995 0.8362 0.6411 -0.1560 -0.1254 0.0869  225 LYS H NZ  
1644 N  N   . VAL A 216 ? 0.3968 0.4869 0.2119 -0.1978 0.0086  0.0295  226 VAL H N   
1645 C  CA  . VAL A 216 ? 0.3527 0.4164 0.2006 -0.1742 -0.0150 0.0464  226 VAL H CA  
1646 C  C   . VAL A 216 ? 0.3462 0.4953 0.2409 -0.2062 0.0083  0.0151  226 VAL H C   
1647 O  O   . VAL A 216 ? 0.3140 0.5543 0.2853 -0.2179 -0.0061 -0.0414 226 VAL H O   
1648 C  CB  . VAL A 216 ? 0.3336 0.3436 0.1942 -0.1325 0.0151  0.0007  226 VAL H CB  
1649 C  CG1 . VAL A 216 ? 0.3296 0.3402 0.1901 -0.1008 -0.0099 -0.0182 226 VAL H CG1 
1650 C  CG2 . VAL A 216 ? 0.3321 0.3468 0.1668 -0.1194 -0.0094 -0.0058 226 VAL H CG2 
1651 N  N   . GLU A 217 ? 0.4400 0.5395 0.1792 -0.2444 -0.0188 -0.0745 227 GLU H N   
1652 C  CA  . GLU A 217 ? 0.5244 0.6278 0.2411 -0.3227 0.0385  -0.0818 227 GLU H CA  
1653 C  C   . GLU A 217 ? 0.5128 0.6862 0.2471 -0.3487 0.0334  -0.0353 227 GLU H C   
1654 O  O   . GLU A 217 ? 0.5021 0.7169 0.2407 -0.3545 0.0310  -0.0210 227 GLU H O   
1655 C  CB  . GLU A 217 ? 0.6318 0.6739 0.2683 -0.3555 0.0444  -0.0394 227 GLU H CB  
1656 C  CG  . GLU A 217 ? 0.7408 0.8167 0.3293 -0.3130 0.0044  -0.0129 227 GLU H CG  
1657 C  CD  . GLU A 217 ? 0.8028 0.9430 0.4410 -0.3306 0.0763  0.0370  227 GLU H CD  
1658 O  OE1 . GLU A 217 ? 0.8552 1.0677 0.4499 -0.3839 0.0356  0.1276  227 GLU H OE1 
1659 O  OE2 . GLU A 217 ? 0.9694 1.0249 0.4509 -0.1874 0.0656  0.0666  227 GLU H OE2 
1660 N  N   . PRO A 218 ? 0.5222 0.8425 0.2907 -0.3259 0.0333  -0.1327 228 PRO H N   
1661 C  CA  . PRO A 218 ? 0.6060 0.8895 0.3650 -0.2941 -0.0006 -0.1512 228 PRO H CA  
1662 C  C   . PRO A 218 ? 0.6907 0.7867 0.3621 -0.3397 -0.0218 -0.1127 228 PRO H C   
1663 O  O   . PRO A 218 ? 0.7202 0.7777 0.2109 -0.3528 -0.0294 -0.0978 228 PRO H O   
1664 C  CB  . PRO A 218 ? 0.6373 1.0025 0.4705 -0.2813 -0.0221 -0.1165 228 PRO H CB  
1665 C  CG  . PRO A 218 ? 0.6338 1.0010 0.4433 -0.2698 -0.0068 -0.1147 228 PRO H CG  
1666 C  CD  . PRO A 218 ? 0.5332 0.8964 0.3788 -0.3090 0.0150  -0.1372 228 PRO H CD  
1667 N  N   . LYS A 219 ? 0.6138 0.7325 0.3587 -0.3510 0.0458  -0.0794 229 LYS H N   
1668 C  CA  . LYS A 219 ? 0.5944 0.6417 0.5336 -0.2498 -0.0437 -0.0518 229 LYS H CA  
1669 C  C   . LYS A 219 ? 0.6158 0.5433 0.4769 -0.2535 -0.0916 -0.0235 229 LYS H C   
1670 O  O   . LYS A 219 ? 0.7144 0.5729 0.3818 -0.2317 -0.0912 0.0006  229 LYS H O   
1671 C  CB  . LYS A 219 ? 0.5982 0.6577 0.5290 -0.2107 -0.0498 -0.0419 229 LYS H CB  
1672 C  CG  . LYS A 219 ? 0.5780 0.6965 0.6211 -0.2896 -0.1698 -0.0686 229 LYS H CG  
1673 C  CD  . LYS A 219 ? 0.6784 0.8449 0.6978 -0.2483 -0.2400 -0.0564 229 LYS H CD  
1674 C  CE  . LYS A 219 ? 0.7204 0.9448 0.8436 -0.2580 -0.2981 -0.0807 229 LYS H CE  
1675 N  NZ  . LYS A 219 ? 0.7964 0.9892 0.8653 -0.2053 -0.2988 -0.0466 229 LYS H NZ  
1676 N  N   . SER A 220 ? 0.4743 0.5021 0.4853 -0.1878 -0.0649 -0.0114 230 SER H N   
1677 C  CA  . SER A 220 ? 0.4519 0.4779 0.5048 -0.1440 -0.0593 -0.0465 230 SER H CA  
1678 C  C   . SER A 220 ? 0.4328 0.4398 0.5927 -0.1057 -0.0855 -0.0516 230 SER H C   
1679 O  O   . SER A 220 ? 0.4367 0.4495 0.6600 -0.0274 -0.0748 -0.0108 230 SER H O   
1680 C  CB  . SER A 220 ? 0.5046 0.5431 0.5195 -0.1150 -0.0152 0.0133  230 SER H CB  
1681 O  OG  . SER A 220 ? 0.5278 0.4394 0.3880 -0.0348 -0.0428 0.1061  230 SER H OG  
1682 N  N   . CYS A 221 ? 0.4111 0.5352 0.5618 -0.0803 -0.0816 -0.0509 231 CYS H N   
1683 C  CA  . CYS A 221 ? 0.3985 0.5524 0.5486 -0.1298 -0.0611 -0.0560 231 CYS H CA  
1684 C  C   . CYS A 221 ? 0.4017 0.7046 0.6011 -0.0482 0.0329  0.0539  231 CYS H C   
1685 O  O   . CYS A 221 ? 0.5380 0.7632 0.4978 -0.0358 0.0725  0.1620  231 CYS H O   
1686 C  CB  . CYS A 221 ? 0.3406 0.5392 0.5319 -0.1412 -0.1034 -0.0932 231 CYS H CB  
1687 S  SG  . CYS A 221 ? 0.4462 0.5494 0.5394 -0.0233 -0.0538 -0.0943 231 CYS H SG  
1688 N  N   . GLU B 1   ? 0.2497 0.4943 0.2606 0.0188  0.0097  0.1118  1   GLU L N   
1689 C  CA  . GLU B 1   ? 0.2199 0.4135 0.1315 0.0323  -0.0071 0.0713  1   GLU L CA  
1690 C  C   . GLU B 1   ? 0.2015 0.3647 0.1228 0.0431  0.0136  0.0401  1   GLU L C   
1691 O  O   . GLU B 1   ? 0.2573 0.4129 0.1634 0.0317  0.0651  0.0810  1   GLU L O   
1692 C  CB  . GLU B 1   ? 0.2601 0.4151 0.1794 0.0480  0.0087  0.0338  1   GLU L CB  
1693 C  CG  . GLU B 1   ? 0.3144 0.3921 0.2279 0.0660  0.0350  -0.0229 1   GLU L CG  
1694 C  CD  . GLU B 1   ? 0.3485 0.3998 0.2311 0.0439  0.0264  -0.0255 1   GLU L CD  
1695 O  OE1 . GLU B 1   ? 0.3431 0.3343 0.3102 0.0390  0.0211  -0.0280 1   GLU L OE1 
1696 O  OE2 . GLU B 1   ? 0.3736 0.3302 0.2746 0.0271  -0.0263 0.0236  1   GLU L OE2 
1697 N  N   . ILE B 2   ? 0.1941 0.3016 0.0530 0.0306  0.0043  0.0198  2   ILE L N   
1698 C  CA  . ILE B 2   ? 0.1820 0.2868 0.0611 0.0108  0.0082  0.0183  2   ILE L CA  
1699 C  C   . ILE B 2   ? 0.2158 0.2542 0.0719 0.0109  0.0335  0.0158  2   ILE L C   
1700 O  O   . ILE B 2   ? 0.3104 0.2371 0.0777 0.0153  0.0248  0.0253  2   ILE L O   
1701 C  CB  . ILE B 2   ? 0.1718 0.2418 0.0813 -0.0095 0.0093  0.0178  2   ILE L CB  
1702 C  CG1 . ILE B 2   ? 0.2221 0.2880 0.0924 -0.0381 0.0061  -0.0013 2   ILE L CG1 
1703 C  CG2 . ILE B 2   ? 0.1786 0.2271 0.0862 -0.0002 0.0026  0.0198  2   ILE L CG2 
1704 C  CD1 . ILE B 2   ? 0.2340 0.2635 0.1375 -0.0482 0.0033  -0.0121 2   ILE L CD1 
1705 N  N   . VAL B 3   ? 0.1563 0.2469 0.0709 0.0305  0.0042  0.0186  3   VAL L N   
1706 C  CA  . VAL B 3   ? 0.1635 0.2280 0.0680 0.0315  0.0248  0.0056  3   VAL L CA  
1707 C  C   . VAL B 3   ? 0.1521 0.1815 0.0447 0.0211  0.0090  -0.0190 3   VAL L C   
1708 O  O   . VAL B 3   ? 0.1684 0.2023 0.0488 0.0161  -0.0020 -0.0091 3   VAL L O   
1709 C  CB  . VAL B 3   ? 0.1883 0.2667 0.0674 0.0268  0.0358  -0.0125 3   VAL L CB  
1710 C  CG1 . VAL B 3   ? 0.2016 0.2847 0.1163 0.0267  0.0384  -0.0205 3   VAL L CG1 
1711 C  CG2 . VAL B 3   ? 0.2045 0.2845 0.1118 0.0299  0.0591  -0.0099 3   VAL L CG2 
1712 N  N   . LEU B 4   ? 0.1726 0.1676 0.0139 0.0184  0.0006  -0.0054 4   LEU L N   
1713 C  CA  . LEU B 4   ? 0.1606 0.1538 0.0280 0.0170  0.0026  -0.0188 4   LEU L CA  
1714 C  C   . LEU B 4   ? 0.1752 0.1605 0.0122 0.0192  -0.0100 -0.0119 4   LEU L C   
1715 O  O   . LEU B 4   ? 0.2379 0.1730 0.0259 0.0244  -0.0097 -0.0142 4   LEU L O   
1716 C  CB  . LEU B 4   ? 0.1610 0.1540 0.0191 0.0156  -0.0061 -0.0135 4   LEU L CB  
1717 C  CG  . LEU B 4   ? 0.1719 0.1764 0.0247 0.0203  0.0042  -0.0297 4   LEU L CG  
1718 C  CD1 . LEU B 4   ? 0.1755 0.1693 0.0150 0.0109  0.0037  -0.0173 4   LEU L CD1 
1719 C  CD2 . LEU B 4   ? 0.1795 0.1919 0.0464 0.0108  0.0053  -0.0266 4   LEU L CD2 
1720 N  N   . THR B 5   ? 0.1439 0.1491 0.0177 0.0176  -0.0058 -0.0042 5   THR L N   
1721 C  CA  . THR B 5   ? 0.1548 0.1602 0.0293 0.0234  0.0127  -0.0322 5   THR L CA  
1722 C  C   . THR B 5   ? 0.1616 0.1539 0.0134 0.0255  0.0077  -0.0297 5   THR L C   
1723 O  O   . THR B 5   ? 0.1543 0.1494 0.0370 0.0203  0.0018  -0.0282 5   THR L O   
1724 C  CB  . THR B 5   ? 0.1503 0.2116 0.0227 0.0236  0.0029  -0.0234 5   THR L CB  
1725 O  OG1 . THR B 5   ? 0.1641 0.2454 0.0529 0.0115  0.0087  -0.0123 5   THR L OG1 
1726 C  CG2 . THR B 5   ? 0.1718 0.2227 0.0435 0.0169  0.0179  -0.0342 5   THR L CG2 
1727 N  N   . GLN B 6   ? 0.1526 0.1389 0.0073 0.0331  -0.0002 -0.0113 6   GLN L N   
1728 C  CA  . GLN B 6   ? 0.1567 0.1450 0.0071 0.0279  -0.0039 -0.0104 6   GLN L CA  
1729 C  C   . GLN B 6   ? 0.1535 0.1446 0.0082 0.0255  -0.0155 -0.0085 6   GLN L C   
1730 O  O   . GLN B 6   ? 0.1815 0.1956 0.0269 0.0498  -0.0236 -0.0337 6   GLN L O   
1731 C  CB  . GLN B 6   ? 0.1491 0.1408 0.0110 0.0138  -0.0099 -0.0241 6   GLN L CB  
1732 C  CG  . GLN B 6   ? 0.1424 0.1397 0.0121 0.0104  -0.0143 -0.0248 6   GLN L CG  
1733 C  CD  . GLN B 6   ? 0.1398 0.1364 0.0090 0.0245  -0.0142 -0.0148 6   GLN L CD  
1734 O  OE1 . GLN B 6   ? 0.1486 0.1611 0.0066 0.0335  -0.0061 -0.0023 6   GLN L OE1 
1735 N  NE2 . GLN B 6   ? 0.1374 0.1438 0.0083 0.0210  -0.0143 -0.0104 6   GLN L NE2 
1736 N  N   . SER B 7   ? 0.1548 0.1569 0.0098 0.0139  -0.0224 -0.0063 7   SER L N   
1737 C  CA  A SER B 7   ? 0.1581 0.1518 0.0088 0.0149  -0.0182 -0.0088 7   SER L CA  
1738 C  CA  B SER B 7   ? 0.1544 0.1445 0.0083 0.0150  -0.0167 -0.0060 7   SER L CA  
1739 C  CA  C SER B 7   ? 0.1596 0.1629 0.0101 0.0179  -0.0236 -0.0078 7   SER L CA  
1740 C  C   . SER B 7   ? 0.1592 0.1547 0.0092 0.0122  -0.0185 -0.0112 7   SER L C   
1741 O  O   . SER B 7   ? 0.1729 0.1601 0.0090 0.0145  -0.0013 -0.0203 7   SER L O   
1742 C  CB  A SER B 7   ? 0.1627 0.1689 0.0098 0.0115  -0.0227 -0.0077 7   SER L CB  
1743 C  CB  B SER B 7   ? 0.1539 0.1501 0.0086 0.0147  -0.0185 -0.0030 7   SER L CB  
1744 C  CB  C SER B 7   ? 0.1879 0.2136 0.0097 0.0152  -0.0216 0.0111  7   SER L CB  
1745 O  OG  A SER B 7   ? 0.1704 0.1561 0.0091 0.0087  -0.0189 -0.0103 7   SER L OG  
1746 O  OG  B SER B 7   ? 0.1491 0.1366 0.0082 0.0122  -0.0165 0.0001  7   SER L OG  
1747 O  OG  C SER B 7   ? 0.2231 0.2832 0.1019 0.0193  -0.0223 0.0213  7   SER L OG  
1748 N  N   . PRO B 8   ? 0.1725 0.1534 0.0117 0.0091  -0.0082 -0.0273 8   PRO L N   
1749 C  CA  . PRO B 8   ? 0.1707 0.1507 0.0111 0.0123  -0.0048 -0.0219 8   PRO L CA  
1750 C  C   . PRO B 8   ? 0.1810 0.1739 0.0081 0.0149  -0.0069 -0.0165 8   PRO L C   
1751 O  O   . PRO B 8   ? 0.2071 0.2078 0.0099 0.0137  0.0019  -0.0267 8   PRO L O   
1752 C  CB  . PRO B 8   ? 0.1736 0.1587 0.0143 0.0067  -0.0090 -0.0243 8   PRO L CB  
1753 C  CG  . PRO B 8   ? 0.1674 0.1732 0.0464 -0.0029 -0.0120 -0.0164 8   PRO L CG  
1754 C  CD  . PRO B 8   ? 0.1658 0.1777 0.0176 0.0112  -0.0158 -0.0187 8   PRO L CD  
1755 N  N   . GLY B 9   ? 0.1707 0.1741 0.0232 0.0228  -0.0112 -0.0128 9   GLY L N   
1756 C  CA  . GLY B 9   ? 0.1638 0.1690 0.0268 0.0249  -0.0232 -0.0201 9   GLY L CA  
1757 C  C   . GLY B 9   ? 0.1602 0.1764 0.0087 0.0165  -0.0150 -0.0143 9   GLY L C   
1758 O  O   . GLY B 9   ? 0.1702 0.1779 0.0091 0.0269  0.0034  -0.0208 9   GLY L O   
1759 N  N   . THR B 10  ? 0.1665 0.1664 0.0118 0.0221  -0.0276 -0.0147 10  THR L N   
1760 C  CA  . THR B 10  ? 0.1766 0.1614 0.0189 0.0240  -0.0191 -0.0252 10  THR L CA  
1761 C  C   . THR B 10  ? 0.1761 0.1707 0.0098 0.0093  -0.0168 0.0056  10  THR L C   
1762 O  O   . THR B 10  ? 0.1888 0.2024 0.0087 0.0200  -0.0149 0.0138  10  THR L O   
1763 C  CB  A THR B 10  ? 0.2188 0.1681 0.0533 0.0335  -0.0143 -0.0261 10  THR L CB  
1764 C  CB  B THR B 10  ? 0.2001 0.1625 0.0429 0.0223  -0.0169 -0.0301 10  THR L CB  
1765 O  OG1 A THR B 10  ? 0.2780 0.2328 0.0699 0.0339  0.0054  -0.0118 10  THR L OG1 
1766 O  OG1 B THR B 10  ? 0.2277 0.1843 0.1030 0.0476  -0.0324 -0.0618 10  THR L OG1 
1767 C  CG2 A THR B 10  ? 0.2341 0.1727 0.0772 0.0414  -0.0233 -0.0410 10  THR L CG2 
1768 C  CG2 B THR B 10  ? 0.2040 0.1626 0.0669 0.0094  -0.0219 -0.0406 10  THR L CG2 
1769 N  N   . LEU B 11  ? 0.1776 0.1751 0.0079 0.0177  -0.0048 0.0152  11  LEU L N   
1770 C  CA  . LEU B 11  ? 0.1797 0.1571 0.0064 0.0161  -0.0036 0.0018  11  LEU L CA  
1771 C  C   . LEU B 11  ? 0.1964 0.1480 0.0076 0.0064  -0.0095 0.0105  11  LEU L C   
1772 O  O   . LEU B 11  ? 0.2078 0.1930 0.0084 0.0006  -0.0125 0.0155  11  LEU L O   
1773 C  CB  . LEU B 11  ? 0.1781 0.1600 0.0066 0.0113  -0.0075 0.0002  11  LEU L CB  
1774 C  CG  . LEU B 11  ? 0.1723 0.1652 0.0078 0.0107  -0.0070 -0.0145 11  LEU L CG  
1775 C  CD1 . LEU B 11  ? 0.1931 0.1696 0.0199 0.0141  -0.0067 0.0088  11  LEU L CD1 
1776 C  CD2 . LEU B 11  ? 0.1826 0.1749 0.0086 0.0260  0.0054  -0.0182 11  LEU L CD2 
1777 N  N   . SER B 12  ? 0.2044 0.1544 0.0073 0.0232  -0.0083 -0.0104 12  SER L N   
1778 C  CA  . SER B 12  ? 0.2120 0.1383 0.0063 0.0216  -0.0013 -0.0027 12  SER L CA  
1779 C  C   . SER B 12  ? 0.1982 0.1352 0.0071 0.0093  -0.0125 0.0016  12  SER L C   
1780 O  O   . SER B 12  ? 0.2130 0.1453 0.0086 0.0176  -0.0215 0.0012  12  SER L O   
1781 C  CB  A SER B 12  ? 0.2431 0.1416 0.0147 0.0188  -0.0172 -0.0130 12  SER L CB  
1782 C  CB  B SER B 12  ? 0.2045 0.1298 0.0179 0.0224  -0.0220 -0.0102 12  SER L CB  
1783 O  OG  A SER B 12  ? 0.2843 0.1664 0.0390 0.0062  -0.0218 -0.0062 12  SER L OG  
1784 O  OG  B SER B 12  ? 0.1903 0.1262 0.0424 0.0214  -0.0287 -0.0103 12  SER L OG  
1785 N  N   . LEU B 13  ? 0.1753 0.1253 0.0100 -0.0052 -0.0246 -0.0036 13  LEU L N   
1786 C  CA  . LEU B 13  ? 0.1684 0.1163 0.0133 -0.0137 -0.0289 -0.0118 13  LEU L CA  
1787 C  C   . LEU B 13  ? 0.1543 0.1218 0.0169 -0.0075 -0.0396 0.0029  13  LEU L C   
1788 O  O   . LEU B 13  ? 0.2001 0.1366 0.0226 -0.0236 -0.0492 0.0158  13  LEU L O   
1789 C  CB  . LEU B 13  ? 0.1590 0.1088 0.0142 -0.0046 -0.0267 -0.0174 13  LEU L CB  
1790 C  CG  . LEU B 13  ? 0.1651 0.1119 0.0115 0.0011  -0.0173 -0.0188 13  LEU L CG  
1791 C  CD1 . LEU B 13  ? 0.1689 0.1129 0.0233 -0.0051 -0.0226 -0.0239 13  LEU L CD1 
1792 C  CD2 . LEU B 13  ? 0.1779 0.1211 0.0107 -0.0051 -0.0221 -0.0126 13  LEU L CD2 
1793 N  N   . SER B 14  ? 0.1582 0.1300 0.0364 -0.0015 -0.0392 -0.0087 14  SER L N   
1794 C  CA  . SER B 14  ? 0.1599 0.1286 0.0425 -0.0023 -0.0325 -0.0074 14  SER L CA  
1795 C  C   . SER B 14  ? 0.1538 0.1306 0.0368 -0.0258 -0.0241 -0.0044 14  SER L C   
1796 O  O   . SER B 14  ? 0.1576 0.1273 0.0305 -0.0200 -0.0279 -0.0005 14  SER L O   
1797 C  CB  . SER B 14  ? 0.1714 0.1755 0.0523 -0.0010 -0.0373 -0.0202 14  SER L CB  
1798 O  OG  . SER B 14  ? 0.2740 0.2134 0.0791 0.0108  -0.0543 -0.0475 14  SER L OG  
1799 N  N   . PRO B 15  ? 0.1591 0.1390 0.0329 -0.0241 -0.0194 0.0053  15  PRO L N   
1800 C  CA  . PRO B 15  ? 0.1630 0.1423 0.0505 -0.0235 -0.0177 -0.0032 15  PRO L CA  
1801 C  C   . PRO B 15  ? 0.1429 0.1526 0.0461 -0.0179 -0.0191 -0.0084 15  PRO L C   
1802 O  O   . PRO B 15  ? 0.1729 0.1675 0.0463 -0.0204 -0.0323 -0.0159 15  PRO L O   
1803 C  CB  . PRO B 15  ? 0.1837 0.1728 0.0862 -0.0313 -0.0123 0.0061  15  PRO L CB  
1804 C  CG  . PRO B 15  ? 0.2023 0.1597 0.0869 -0.0330 -0.0054 0.0234  15  PRO L CG  
1805 C  CD  . PRO B 15  ? 0.1771 0.1561 0.0661 -0.0231 -0.0232 0.0137  15  PRO L CD  
1806 N  N   . GLY B 16  ? 0.1407 0.1516 0.0339 -0.0248 -0.0280 -0.0117 16  GLY L N   
1807 C  CA  . GLY B 16  ? 0.1547 0.1551 0.0319 -0.0186 -0.0186 -0.0129 16  GLY L CA  
1808 C  C   . GLY B 16  ? 0.1483 0.1434 0.0339 -0.0050 -0.0221 -0.0018 16  GLY L C   
1809 O  O   . GLY B 16  ? 0.1638 0.1379 0.0630 0.0050  -0.0079 0.0009  16  GLY L O   
1810 N  N   . ASP B 17  ? 0.1478 0.1261 0.0180 -0.0053 -0.0113 -0.0045 17  ASP L N   
1811 C  CA  . ASP B 17  ? 0.1383 0.1252 0.0117 -0.0063 -0.0117 0.0024  17  ASP L CA  
1812 C  C   . ASP B 17  ? 0.1267 0.1279 0.0070 -0.0091 -0.0083 0.0051  17  ASP L C   
1813 O  O   . ASP B 17  ? 0.1608 0.1475 0.0066 -0.0102 -0.0067 0.0029  17  ASP L O   
1814 C  CB  . ASP B 17  ? 0.1404 0.1291 0.0164 -0.0030 0.0031  0.0055  17  ASP L CB  
1815 C  CG  . ASP B 17  ? 0.1515 0.1236 0.0215 0.0015  -0.0124 0.0182  17  ASP L CG  
1816 O  OD1 . ASP B 17  ? 0.1551 0.1655 0.0236 -0.0061 -0.0324 0.0000  17  ASP L OD1 
1817 O  OD2 . ASP B 17  ? 0.2018 0.1561 0.0084 0.0105  -0.0057 0.0101  17  ASP L OD2 
1818 N  N   . ARG B 18  ? 0.1311 0.1091 0.0084 -0.0094 -0.0153 -0.0034 18  ARG L N   
1819 C  CA  . ARG B 18  ? 0.1370 0.1173 0.0073 -0.0095 -0.0103 -0.0041 18  ARG L CA  
1820 C  C   . ARG B 18  ? 0.1321 0.1219 0.0068 -0.0041 -0.0076 0.0030  18  ARG L C   
1821 O  O   . ARG B 18  ? 0.1415 0.1409 0.0064 -0.0005 -0.0034 0.0002  18  ARG L O   
1822 C  CB  . ARG B 18  ? 0.1409 0.1175 0.0068 -0.0059 -0.0073 -0.0037 18  ARG L CB  
1823 C  CG  . ARG B 18  ? 0.1476 0.1163 0.0063 -0.0115 0.0023  -0.0015 18  ARG L CG  
1824 C  CD  . ARG B 18  ? 0.1472 0.1181 0.0107 -0.0079 0.0042  -0.0008 18  ARG L CD  
1825 N  NE  . ARG B 18  ? 0.1311 0.1149 0.0261 -0.0102 0.0102  0.0168  18  ARG L NE  
1826 C  CZ  . ARG B 18  ? 0.1493 0.1099 0.0302 -0.0093 -0.0047 0.0132  18  ARG L CZ  
1827 N  NH1 . ARG B 18  ? 0.1567 0.1158 0.0117 -0.0022 -0.0081 0.0047  18  ARG L NH1 
1828 N  NH2 . ARG B 18  ? 0.1571 0.1187 0.0329 -0.0126 0.0008  0.0022  18  ARG L NH2 
1829 N  N   . ALA B 19  ? 0.1430 0.1182 0.0070 -0.0031 -0.0095 0.0017  19  ALA L N   
1830 C  CA  . ALA B 19  ? 0.1462 0.1169 0.0067 -0.0026 -0.0071 -0.0022 19  ALA L CA  
1831 C  C   . ALA B 19  ? 0.1294 0.1090 0.0079 0.0084  -0.0021 -0.0127 19  ALA L C   
1832 O  O   . ALA B 19  ? 0.1472 0.1309 0.0117 -0.0041 0.0089  -0.0248 19  ALA L O   
1833 C  CB  . ALA B 19  ? 0.1451 0.1081 0.0081 0.0013  -0.0153 -0.0036 19  ALA L CB  
1834 N  N   . THR B 20  ? 0.1222 0.1176 0.0067 0.0109  -0.0034 -0.0064 20  THR L N   
1835 C  CA  . THR B 20  ? 0.1342 0.1064 0.0063 0.0037  -0.0009 -0.0016 20  THR L CA  
1836 C  C   . THR B 20  ? 0.1337 0.1170 0.0075 0.0052  -0.0108 -0.0060 20  THR L C   
1837 O  O   . THR B 20  ? 0.1389 0.1422 0.0083 0.0105  -0.0052 -0.0161 20  THR L O   
1838 C  CB  . THR B 20  ? 0.1382 0.1081 0.0181 -0.0021 -0.0028 0.0108  20  THR L CB  
1839 O  OG1 . THR B 20  ? 0.1418 0.1167 0.0324 0.0048  -0.0068 0.0173  20  THR L OG1 
1840 C  CG2 . THR B 20  ? 0.1367 0.1310 0.0396 -0.0069 -0.0163 0.0217  20  THR L CG2 
1841 N  N   . HIS B 21  ? 0.1303 0.1162 0.0083 0.0084  -0.0120 -0.0105 21  HIS L N   
1842 C  CA  . HIS B 21  ? 0.1303 0.1089 0.0065 0.0054  -0.0001 -0.0044 21  HIS L CA  
1843 C  C   . HIS B 21  ? 0.1224 0.1129 0.0105 0.0062  -0.0143 -0.0045 21  HIS L C   
1844 O  O   . HIS B 21  ? 0.1369 0.1243 0.0090 0.0110  -0.0036 -0.0128 21  HIS L O   
1845 C  CB  . HIS B 21  ? 0.1359 0.1134 0.0065 -0.0029 -0.0046 0.0011  21  HIS L CB  
1846 C  CG  . HIS B 21  ? 0.1324 0.1300 0.0097 -0.0053 -0.0073 0.0000  21  HIS L CG  
1847 N  ND1 . HIS B 21  ? 0.1314 0.1477 0.0068 -0.0097 -0.0083 0.0004  21  HIS L ND1 
1848 C  CD2 . HIS B 21  ? 0.1506 0.1491 0.0408 0.0076  -0.0091 -0.0001 21  HIS L CD2 
1849 C  CE1 . HIS B 21  ? 0.1346 0.1579 0.0188 -0.0088 -0.0088 0.0024  21  HIS L CE1 
1850 N  NE2 . HIS B 21  ? 0.1600 0.1661 0.0334 -0.0031 -0.0106 0.0037  21  HIS L NE2 
1851 N  N   . SER B 22  ? 0.1186 0.1234 0.0092 0.0016  -0.0174 -0.0058 22  SER L N   
1852 C  CA  . SER B 22  ? 0.1174 0.1303 0.0075 0.0023  -0.0078 -0.0094 22  SER L CA  
1853 C  C   . SER B 22  ? 0.1347 0.1248 0.0074 -0.0003 -0.0110 0.0045  22  SER L C   
1854 O  O   . SER B 22  ? 0.1381 0.1337 0.0106 0.0112  -0.0235 -0.0059 22  SER L O   
1855 C  CB  . SER B 22  ? 0.1246 0.1532 0.0206 -0.0004 0.0020  0.0077  22  SER L CB  
1856 O  OG  . SER B 22  ? 0.1422 0.1557 0.0432 0.0133  -0.0135 0.0091  22  SER L OG  
1857 N  N   . CYS B 23  ? 0.1113 0.1175 0.0118 0.0050  -0.0059 0.0015  23  CYS L N   
1858 C  CA  . CYS B 23  ? 0.1296 0.1303 0.0078 0.0071  -0.0136 -0.0016 23  CYS L CA  
1859 C  C   . CYS B 23  ? 0.1267 0.1290 0.0167 0.0111  -0.0158 0.0071  23  CYS L C   
1860 O  O   . CYS B 23  ? 0.1411 0.1394 0.0753 0.0086  0.0163  -0.0018 23  CYS L O   
1861 C  CB  . CYS B 23  ? 0.1339 0.1481 0.0084 0.0053  -0.0099 0.0131  23  CYS L CB  
1862 S  SG  . CYS B 23  ? 0.1738 0.1832 0.0125 0.0242  -0.0318 -0.0091 23  CYS L SG  
1863 N  N   . ARG B 24  ? 0.1323 0.1345 0.0404 0.0098  -0.0103 -0.0154 24  ARG L N   
1864 C  CA  . ARG B 24  ? 0.1277 0.1435 0.0261 0.0018  -0.0066 -0.0193 24  ARG L CA  
1865 C  C   . ARG B 24  ? 0.1294 0.1439 0.0522 0.0098  -0.0060 -0.0027 24  ARG L C   
1866 O  O   . ARG B 24  ? 0.1606 0.1537 0.0866 0.0193  -0.0309 -0.0018 24  ARG L O   
1867 C  CB  . ARG B 24  ? 0.1374 0.1859 0.0348 0.0038  0.0074  -0.0151 24  ARG L CB  
1868 C  CG  . ARG B 24  ? 0.1440 0.1870 0.0538 0.0075  0.0084  0.0047  24  ARG L CG  
1869 C  CD  . ARG B 24  ? 0.1634 0.2081 0.0479 0.0027  -0.0027 0.0060  24  ARG L CD  
1870 N  NE  . ARG B 24  ? 0.1871 0.2440 0.0360 0.0003  -0.0079 0.0204  24  ARG L NE  
1871 C  CZ  . ARG B 24  ? 0.2103 0.2163 0.0498 0.0035  -0.0184 -0.0002 24  ARG L CZ  
1872 N  NH1 . ARG B 24  ? 0.2052 0.2056 0.0714 0.0048  -0.0418 0.0157  24  ARG L NH1 
1873 N  NH2 . ARG B 24  ? 0.2342 0.2140 0.0353 -0.0029 -0.0268 0.0103  24  ARG L NH2 
1874 N  N   . ALA B 25  ? 0.1253 0.1542 0.0514 0.0015  -0.0121 -0.0082 25  ALA L N   
1875 C  CA  . ALA B 25  ? 0.1278 0.1845 0.0429 -0.0025 -0.0142 -0.0074 25  ALA L CA  
1876 C  C   . ALA B 25  ? 0.1403 0.1853 0.0707 -0.0060 -0.0024 -0.0014 25  ALA L C   
1877 O  O   . ALA B 25  ? 0.1443 0.1967 0.0764 0.0027  -0.0092 0.0165  25  ALA L O   
1878 C  CB  . ALA B 25  ? 0.1281 0.1798 0.0509 0.0137  -0.0088 -0.0066 25  ALA L CB  
1879 N  N   . SER B 26  ? 0.1450 0.2014 0.0498 -0.0025 -0.0008 -0.0040 26  SER L N   
1880 C  CA  . SER B 26  ? 0.1546 0.2228 0.0846 -0.0010 0.0202  0.0000  26  SER L CA  
1881 C  C   . SER B 26  ? 0.1591 0.2312 0.1192 -0.0136 0.0209  0.0010  26  SER L C   
1882 O  O   . SER B 26  ? 0.1855 0.2533 0.2212 -0.0355 0.0669  -0.0016 26  SER L O   
1883 C  CB  . SER B 26  ? 0.1723 0.2183 0.0749 0.0042  0.0248  0.0064  26  SER L CB  
1884 O  OG  . SER B 26  ? 0.1858 0.2657 0.0820 0.0055  0.0077  0.0014  26  SER L OG  
1885 N  N   . GLN B 27  ? 0.1617 0.2099 0.1188 -0.0173 0.0099  -0.0119 27  GLN L N   
1886 C  CA  . GLN B 27  ? 0.1924 0.2310 0.1454 -0.0027 -0.0153 -0.0302 27  GLN L CA  
1887 C  C   . GLN B 27  ? 0.1747 0.2239 0.0904 -0.0208 -0.0067 -0.0210 27  GLN L C   
1888 O  O   . GLN B 27  ? 0.1800 0.2196 0.0971 -0.0145 -0.0177 -0.0036 27  GLN L O   
1889 C  CB  . GLN B 27  ? 0.2089 0.3147 0.2800 -0.0175 -0.0522 -0.0603 27  GLN L CB  
1890 C  CG  . GLN B 27  ? 0.2781 0.4097 0.2863 -0.0538 -0.0877 -0.0344 27  GLN L CG  
1891 C  CD  . GLN B 27  ? 0.2852 0.4809 0.3380 -0.0703 -0.1233 0.0294  27  GLN L CD  
1892 O  OE1 . GLN B 27  ? 0.3665 0.5711 0.3230 -0.0962 -0.1336 0.0772  27  GLN L OE1 
1893 N  NE2 . GLN B 27  ? 0.3458 0.4960 0.2852 -0.0665 -0.1590 0.0712  27  GLN L NE2 
1894 N  N   . SER B 28  ? 0.1737 0.2236 0.1507 -0.0280 -0.0091 -0.0210 28  SER L N   
1895 C  CA  A SER B 28  ? 0.1828 0.2257 0.1401 -0.0303 -0.0014 -0.0229 28  SER L CA  
1896 C  CA  B SER B 28  ? 0.1996 0.2382 0.1414 -0.0225 0.0069  -0.0199 28  SER L CA  
1897 C  C   . SER B 28  ? 0.1782 0.2345 0.1270 -0.0163 -0.0110 -0.0297 28  SER L C   
1898 O  O   . SER B 28  ? 0.1916 0.2974 0.1400 -0.0083 -0.0273 -0.0158 28  SER L O   
1899 C  CB  A SER B 28  ? 0.2231 0.2337 0.1761 -0.0133 0.0065  -0.0294 28  SER L CB  
1900 C  CB  B SER B 28  ? 0.2587 0.2535 0.1860 0.0064  0.0286  -0.0303 28  SER L CB  
1901 O  OG  A SER B 28  ? 0.2039 0.2414 0.2505 -0.0259 -0.0097 -0.0306 28  SER L OG  
1902 O  OG  B SER B 28  ? 0.3481 0.3193 0.2480 0.0165  0.0370  0.0126  28  SER L OG  
1903 N  N   . VAL B 29  ? 0.1747 0.2194 0.0834 -0.0170 -0.0038 -0.0396 29  VAL L N   
1904 C  CA  . VAL B 29  ? 0.2019 0.2100 0.0841 -0.0095 -0.0117 -0.0277 29  VAL L CA  
1905 C  C   . VAL B 29  ? 0.2318 0.2113 0.1229 -0.0084 0.0013  -0.0290 29  VAL L C   
1906 O  O   . VAL B 29  ? 0.2492 0.2339 0.1821 0.0205  -0.0034 -0.0281 29  VAL L O   
1907 C  CB  . VAL B 29  ? 0.2136 0.1984 0.1016 0.0077  0.0091  0.0152  29  VAL L CB  
1908 C  CG1 . VAL B 29  ? 0.2528 0.2256 0.1016 0.0259  0.0083  0.0143  29  VAL L CG1 
1909 C  CG2 . VAL B 29  ? 0.2915 0.2049 0.1027 0.0171  0.0037  0.0045  29  VAL L CG2 
1910 N  N   . SER B 30  ? 0.2733 0.2594 0.1262 -0.0273 -0.0098 -0.0440 30  SER L N   
1911 C  CA  . SER B 30  ? 0.2418 0.2619 0.1632 -0.0321 0.0064  -0.0427 30  SER L CA  
1912 C  C   . SER B 30  ? 0.2495 0.2258 0.1846 -0.0302 0.0150  -0.0603 30  SER L C   
1913 O  O   . SER B 30  ? 0.2314 0.2225 0.1776 -0.0179 0.0165  -0.0712 30  SER L O   
1914 C  CB  A SER B 30  ? 0.2324 0.2567 0.1788 -0.0527 0.0037  -0.0408 30  SER L CB  
1915 C  CB  B SER B 30  ? 0.2667 0.3286 0.1776 -0.0348 -0.0053 -0.0477 30  SER L CB  
1916 O  OG  A SER B 30  ? 0.2477 0.2284 0.2032 -0.0582 0.0071  -0.0523 30  SER L OG  
1917 O  OG  B SER B 30  ? 0.3414 0.4077 0.2167 0.0026  -0.0304 -0.0501 30  SER L OG  
1918 N  N   . ARG B 31  ? 0.2505 0.2115 0.2100 -0.0428 0.0289  -0.0791 36  ARG L N   
1919 C  CA  . ARG B 31  ? 0.2551 0.1947 0.1872 -0.0458 0.0027  -0.0554 36  ARG L CA  
1920 C  C   . ARG B 31  ? 0.2707 0.1936 0.1787 -0.0599 -0.0081 -0.0423 36  ARG L C   
1921 O  O   . ARG B 31  ? 0.2817 0.2494 0.0890 -0.1005 -0.0053 -0.0212 36  ARG L O   
1922 C  CB  . ARG B 31  ? 0.2833 0.2398 0.1632 -0.0108 0.0234  -0.0220 36  ARG L CB  
1923 C  CG  . ARG B 31  ? 0.3704 0.2886 0.1828 -0.0213 0.0256  -0.0371 36  ARG L CG  
1924 C  CD  . ARG B 31  ? 0.4595 0.3272 0.3075 0.0096  0.0031  -0.0104 36  ARG L CD  
1925 N  NE  . ARG B 31  ? 0.5256 0.3584 0.3735 -0.0081 -0.0195 0.0137  36  ARG L NE  
1926 C  CZ  . ARG B 31  ? 0.5590 0.3562 0.4468 0.0039  -0.0247 0.0500  36  ARG L CZ  
1927 N  NH1 . ARG B 31  ? 0.4745 0.4693 0.5444 0.0559  0.0003  0.0262  36  ARG L NH1 
1928 N  NH2 . ARG B 31  ? 0.6744 0.4012 0.5983 -0.0441 -0.0674 0.0229  36  ARG L NH2 
1929 N  N   . SER B 32  ? 0.2838 0.1772 0.1716 0.0077  0.0006  -0.0316 37  SER L N   
1930 C  CA  . SER B 32  ? 0.2874 0.2157 0.1532 0.0212  -0.0433 -0.0342 37  SER L CA  
1931 C  C   . SER B 32  ? 0.2598 0.1869 0.1088 -0.0076 -0.0260 -0.0598 37  SER L C   
1932 O  O   . SER B 32  ? 0.3029 0.1932 0.1263 0.0071  0.0135  -0.0244 37  SER L O   
1933 C  CB  . SER B 32  ? 0.3850 0.2161 0.1575 0.0349  -0.0588 -0.0722 37  SER L CB  
1934 O  OG  . SER B 32  ? 0.5099 0.2823 0.2649 0.1106  -0.0323 -0.0983 37  SER L OG  
1935 N  N   . TYR B 33  ? 0.2085 0.1863 0.1389 0.0129  -0.0449 -0.0569 38  TYR L N   
1936 C  CA  . TYR B 33  ? 0.2126 0.1524 0.0924 0.0013  -0.0023 -0.0460 38  TYR L CA  
1937 C  C   . TYR B 33  ? 0.1704 0.1475 0.0456 0.0059  -0.0244 -0.0123 38  TYR L C   
1938 O  O   . TYR B 33  ? 0.1648 0.1549 0.0320 0.0065  -0.0303 -0.0182 38  TYR L O   
1939 C  CB  . TYR B 33  ? 0.2597 0.2189 0.1545 -0.0028 -0.0499 -0.0440 38  TYR L CB  
1940 C  CG  . TYR B 33  ? 0.3441 0.2383 0.2018 -0.0236 -0.0724 -0.0572 38  TYR L CG  
1941 C  CD1 . TYR B 33  ? 0.4238 0.3131 0.2037 -0.0557 -0.0350 -0.0907 38  TYR L CD1 
1942 C  CD2 . TYR B 33  ? 0.4116 0.2688 0.3659 -0.0372 -0.0881 -0.0715 38  TYR L CD2 
1943 C  CE1 . TYR B 33  ? 0.4624 0.3622 0.1744 -0.0768 -0.1049 -0.0783 38  TYR L CE1 
1944 C  CE2 . TYR B 33  ? 0.4778 0.2733 0.3654 -0.0658 -0.1182 -0.0901 38  TYR L CE2 
1945 C  CZ  . TYR B 33  ? 0.4995 0.3574 0.3990 -0.0652 -0.0735 -0.0308 38  TYR L CZ  
1946 O  OH  . TYR B 33  ? 0.6715 0.4266 0.4407 -0.0534 -0.1099 -0.1226 38  TYR L OH  
1947 N  N   . LEU B 34  ? 0.1523 0.1294 0.0596 0.0074  -0.0174 -0.0160 39  LEU L N   
1948 C  CA  . LEU B 34  ? 0.1471 0.1376 0.0303 0.0064  -0.0158 -0.0065 39  LEU L CA  
1949 C  C   . LEU B 34  ? 0.1364 0.1361 0.0191 0.0113  -0.0229 -0.0129 39  LEU L C   
1950 O  O   . LEU B 34  ? 0.1599 0.1334 0.0740 0.0168  0.0042  -0.0088 39  LEU L O   
1951 C  CB  . LEU B 34  ? 0.1652 0.1742 0.0352 -0.0111 -0.0052 0.0078  39  LEU L CB  
1952 C  CG  . LEU B 34  ? 0.1915 0.2032 0.0583 0.0030  -0.0131 -0.0073 39  LEU L CG  
1953 C  CD1 . LEU B 34  ? 0.1848 0.1892 0.0671 0.0039  -0.0074 0.0010  39  LEU L CD1 
1954 C  CD2 . LEU B 34  ? 0.2126 0.1987 0.0546 -0.0004 0.0124  -0.0303 39  LEU L CD2 
1955 N  N   . ALA B 35  ? 0.1311 0.1366 0.0122 0.0169  -0.0205 -0.0208 40  ALA L N   
1956 C  CA  . ALA B 35  ? 0.1468 0.1263 0.0114 0.0092  -0.0225 -0.0150 40  ALA L CA  
1957 C  C   . ALA B 35  ? 0.1326 0.1238 0.0122 0.0055  -0.0191 -0.0194 40  ALA L C   
1958 O  O   . ALA B 35  ? 0.1544 0.1439 0.0066 0.0079  -0.0064 -0.0013 40  ALA L O   
1959 C  CB  . ALA B 35  ? 0.1667 0.1510 0.0098 0.0137  -0.0227 -0.0079 40  ALA L CB  
1960 N  N   . TRP B 36  ? 0.1316 0.1112 0.0067 0.0095  -0.0022 -0.0064 41  TRP L N   
1961 C  CA  . TRP B 36  ? 0.1266 0.1048 0.0078 0.0062  -0.0107 -0.0080 41  TRP L CA  
1962 C  C   . TRP B 36  ? 0.1298 0.1068 0.0073 0.0053  -0.0086 -0.0071 41  TRP L C   
1963 O  O   . TRP B 36  ? 0.1573 0.1082 0.0069 0.0095  0.0096  -0.0012 41  TRP L O   
1964 C  CB  . TRP B 36  ? 0.1296 0.1131 0.0086 0.0050  -0.0133 -0.0101 41  TRP L CB  
1965 C  CG  . TRP B 36  ? 0.1354 0.1213 0.0075 0.0032  -0.0115 -0.0052 41  TRP L CG  
1966 C  CD1 . TRP B 36  ? 0.1387 0.1251 0.0063 0.0151  -0.0022 0.0010  41  TRP L CD1 
1967 C  CD2 . TRP B 36  ? 0.1319 0.1148 0.0088 0.0085  -0.0121 -0.0130 41  TRP L CD2 
1968 N  NE1 . TRP B 36  ? 0.1468 0.1144 0.0074 0.0052  0.0012  0.0108  41  TRP L NE1 
1969 C  CE2 . TRP B 36  ? 0.1319 0.1187 0.0081 0.0019  -0.0149 -0.0008 41  TRP L CE2 
1970 C  CE3 . TRP B 36  ? 0.1353 0.1159 0.0076 0.0090  -0.0121 -0.0055 41  TRP L CE3 
1971 C  CZ2 . TRP B 36  ? 0.1376 0.1371 0.0067 0.0084  -0.0055 0.0043  41  TRP L CZ2 
1972 C  CZ3 . TRP B 36  ? 0.1384 0.1364 0.0081 0.0072  -0.0029 -0.0152 41  TRP L CZ3 
1973 C  CH2 . TRP B 36  ? 0.1308 0.1419 0.0075 0.0086  -0.0113 -0.0053 41  TRP L CH2 
1974 N  N   . TYR B 37  ? 0.1477 0.1075 0.0065 0.0107  -0.0018 -0.0041 42  TYR L N   
1975 C  CA  . TYR B 37  ? 0.1445 0.1038 0.0081 0.0020  -0.0032 -0.0132 42  TYR L CA  
1976 C  C   . TYR B 37  ? 0.1479 0.1092 0.0072 0.0010  -0.0021 -0.0097 42  TYR L C   
1977 O  O   . TYR B 37  ? 0.1550 0.1294 0.0090 0.0134  0.0104  -0.0144 42  TYR L O   
1978 C  CB  . TYR B 37  ? 0.1471 0.1245 0.0082 0.0057  -0.0076 -0.0136 42  TYR L CB  
1979 C  CG  . TYR B 37  ? 0.1332 0.1267 0.0128 0.0216  -0.0149 -0.0174 42  TYR L CG  
1980 C  CD1 . TYR B 37  ? 0.1550 0.1464 0.0460 0.0166  -0.0244 -0.0168 42  TYR L CD1 
1981 C  CD2 . TYR B 37  ? 0.1416 0.1573 0.0115 0.0160  -0.0234 -0.0158 42  TYR L CD2 
1982 C  CE1 . TYR B 37  ? 0.1769 0.1562 0.0582 0.0116  -0.0185 -0.0219 42  TYR L CE1 
1983 C  CE2 . TYR B 37  ? 0.1502 0.1759 0.0217 0.0317  -0.0465 -0.0183 42  TYR L CE2 
1984 C  CZ  . TYR B 37  ? 0.1541 0.1564 0.0380 0.0253  -0.0374 -0.0342 42  TYR L CZ  
1985 O  OH  . TYR B 37  ? 0.1759 0.1978 0.0513 0.0094  -0.0374 -0.0351 42  TYR L OH  
1986 N  N   . GLN B 38  ? 0.1572 0.1134 0.0073 -0.0055 -0.0120 0.0020  43  GLN L N   
1987 C  CA  . GLN B 38  ? 0.1654 0.1184 0.0073 -0.0152 -0.0124 0.0023  43  GLN L CA  
1988 C  C   . GLN B 38  ? 0.1567 0.1132 0.0090 -0.0036 -0.0188 -0.0049 43  GLN L C   
1989 O  O   . GLN B 38  ? 0.1854 0.1353 0.0095 -0.0142 -0.0240 -0.0003 43  GLN L O   
1990 C  CB  . GLN B 38  ? 0.1690 0.1347 0.0084 -0.0134 -0.0171 0.0076  43  GLN L CB  
1991 C  CG  . GLN B 38  ? 0.1699 0.1360 0.0072 -0.0179 -0.0120 0.0022  43  GLN L CG  
1992 C  CD  . GLN B 38  ? 0.1698 0.1312 0.0093 -0.0109 -0.0177 0.0130  43  GLN L CD  
1993 O  OE1 . GLN B 38  ? 0.1791 0.1566 0.0101 -0.0124 -0.0124 0.0217  43  GLN L OE1 
1994 N  NE2 . GLN B 38  ? 0.1648 0.1397 0.0087 -0.0122 -0.0182 0.0077  43  GLN L NE2 
1995 N  N   . GLN B 39  ? 0.1759 0.1028 0.0087 0.0036  -0.0195 0.0029  44  GLN L N   
1996 C  CA  . GLN B 39  ? 0.1945 0.1108 0.0086 0.0062  -0.0184 0.0063  44  GLN L CA  
1997 C  C   . GLN B 39  ? 0.2064 0.1191 0.0379 -0.0107 -0.0283 0.0109  44  GLN L C   
1998 O  O   . GLN B 39  ? 0.2256 0.1225 0.0403 0.0062  -0.0417 -0.0024 44  GLN L O   
1999 C  CB  . GLN B 39  ? 0.2017 0.1188 0.0109 0.0179  -0.0293 -0.0075 44  GLN L CB  
2000 C  CG  . GLN B 39  ? 0.2012 0.1372 0.0238 0.0274  -0.0247 0.0030  44  GLN L CG  
2001 C  CD  . GLN B 39  ? 0.1998 0.1244 0.0513 0.0326  -0.0317 0.0064  44  GLN L CD  
2002 O  OE1 . GLN B 39  ? 0.2046 0.1595 0.0591 0.0342  -0.0175 -0.0058 44  GLN L OE1 
2003 N  NE2 . GLN B 39  ? 0.2088 0.1553 0.0381 0.0286  -0.0350 0.0086  44  GLN L NE2 
2004 N  N   . LYS B 40  ? 0.2279 0.1747 0.0443 -0.0428 -0.0392 0.0102  45  LYS L N   
2005 C  CA  . LYS B 40  ? 0.2889 0.1620 0.1115 -0.0526 -0.0484 0.0307  45  LYS L CA  
2006 C  C   . LYS B 40  ? 0.2895 0.1552 0.1256 -0.0669 -0.0548 -0.0097 45  LYS L C   
2007 O  O   . LYS B 40  ? 0.2819 0.1735 0.0994 -0.0357 -0.0453 0.0077  45  LYS L O   
2008 C  CB  . LYS B 40  ? 0.3027 0.2056 0.1498 -0.0294 -0.0618 0.0782  45  LYS L CB  
2009 C  CG  . LYS B 40  ? 0.3548 0.2460 0.1498 -0.0478 -0.0405 0.0892  45  LYS L CG  
2010 C  CD  . LYS B 40  ? 0.3642 0.2888 0.1341 0.0135  -0.0541 0.1059  45  LYS L CD  
2011 C  CE  . LYS B 40  ? 0.2683 0.2749 0.0998 -0.0001 -0.0353 0.0893  45  LYS L CE  
2012 N  NZ  . LYS B 40  ? 0.2331 0.2627 0.0633 -0.0146 -0.0048 0.0771  45  LYS L NZ  
2013 N  N   . PRO B 41  ? 0.3918 0.1941 0.1187 -0.0514 -0.0898 -0.0297 46  PRO L N   
2014 C  CA  . PRO B 41  ? 0.4558 0.2154 0.2028 -0.0303 -0.0745 -0.0354 46  PRO L CA  
2015 C  C   . PRO B 41  ? 0.4715 0.1927 0.2161 -0.0118 -0.0807 -0.0450 46  PRO L C   
2016 O  O   . PRO B 41  ? 0.4779 0.2549 0.2593 -0.0654 -0.0938 0.0008  46  PRO L O   
2017 C  CB  . PRO B 41  ? 0.5223 0.2450 0.2079 -0.0357 -0.0829 -0.0457 46  PRO L CB  
2018 C  CG  . PRO B 41  ? 0.4493 0.2351 0.2040 -0.0529 -0.0988 -0.0215 46  PRO L CG  
2019 C  CD  . PRO B 41  ? 0.4006 0.2630 0.1578 -0.0682 -0.0934 -0.0135 46  PRO L CD  
2020 N  N   . GLY B 42  ? 0.5062 0.2102 0.2227 0.0232  -0.0852 -0.0476 47  GLY L N   
2021 C  CA  . GLY B 42  ? 0.5517 0.2038 0.2408 0.0439  -0.0599 -0.0199 47  GLY L CA  
2022 C  C   . GLY B 42  ? 0.5282 0.1921 0.1696 0.0354  -0.0650 0.0038  47  GLY L C   
2023 O  O   . GLY B 42  ? 0.6682 0.2247 0.1884 0.0360  -0.0794 0.0238  47  GLY L O   
2024 N  N   . GLN B 43  ? 0.4018 0.1664 0.1335 -0.0097 -0.0410 -0.0090 48  GLN L N   
2025 C  CA  . GLN B 43  ? 0.3808 0.1582 0.1020 -0.0069 -0.0072 0.0336  48  GLN L CA  
2026 C  C   . GLN B 43  ? 0.2992 0.1524 0.0796 0.0114  -0.0187 0.0211  48  GLN L C   
2027 O  O   . GLN B 43  ? 0.2340 0.1876 0.0634 0.0130  -0.0288 0.0145  48  GLN L O   
2028 C  CB  . GLN B 43  ? 0.4249 0.2289 0.1715 -0.0030 0.0070  0.0178  48  GLN L CB  
2029 C  CG  . GLN B 43  ? 0.5163 0.3183 0.3628 -0.0321 0.0093  -0.0320 48  GLN L CG  
2030 C  CD  . GLN B 43  ? 0.7201 0.3564 0.5386 -0.0115 0.0046  0.0313  48  GLN L CD  
2031 O  OE1 . GLN B 43  ? 0.7837 0.3677 0.6982 0.0069  0.0932  0.2130  48  GLN L OE1 
2032 N  NE2 . GLN B 43  ? 0.8695 0.4519 0.7315 0.0538  0.0411  -0.0941 48  GLN L NE2 
2033 N  N   . THR B 44  ? 0.3092 0.1426 0.0907 0.0252  0.0041  0.0242  49  THR L N   
2034 C  CA  . THR B 44  ? 0.2932 0.1497 0.0650 0.0337  -0.0366 0.0253  49  THR L CA  
2035 C  C   . THR B 44  ? 0.2159 0.1392 0.0229 0.0242  -0.0353 0.0084  49  THR L C   
2036 O  O   . THR B 44  ? 0.2054 0.1519 0.0510 0.0058  -0.0164 0.0086  49  THR L O   
2037 C  CB  . THR B 44  ? 0.3656 0.2040 0.0524 0.0046  -0.0708 0.0419  49  THR L CB  
2038 O  OG1 . THR B 44  ? 0.4553 0.2378 0.1349 0.0388  -0.0434 0.0597  49  THR L OG1 
2039 C  CG2 . THR B 44  ? 0.4589 0.2337 0.0449 -0.0037 -0.1232 0.0350  49  THR L CG2 
2040 N  N   . PRO B 45  ? 0.1829 0.1340 0.0333 0.0251  -0.0376 -0.0023 50  PRO L N   
2041 C  CA  . PRO B 45  ? 0.1888 0.1249 0.0211 0.0201  -0.0252 -0.0108 50  PRO L CA  
2042 C  C   . PRO B 45  ? 0.1643 0.1298 0.0135 0.0083  -0.0272 -0.0189 50  PRO L C   
2043 O  O   . PRO B 45  ? 0.1956 0.1587 0.0131 0.0259  -0.0357 -0.0065 50  PRO L O   
2044 C  CB  . PRO B 45  ? 0.2081 0.1307 0.0154 0.0130  -0.0285 -0.0064 50  PRO L CB  
2045 C  CG  . PRO B 45  ? 0.1976 0.1462 0.0413 0.0176  -0.0376 -0.0039 50  PRO L CG  
2046 C  CD  . PRO B 45  ? 0.1906 0.1311 0.0369 0.0352  -0.0469 0.0050  50  PRO L CD  
2047 N  N   . ARG B 46  ? 0.1658 0.1206 0.0072 0.0117  -0.0118 -0.0023 51  ARG L N   
2048 C  CA  . ARG B 46  ? 0.1724 0.1279 0.0077 0.0063  -0.0107 -0.0100 51  ARG L CA  
2049 C  C   . ARG B 46  ? 0.1716 0.1216 0.0063 0.0020  0.0005  -0.0020 51  ARG L C   
2050 O  O   . ARG B 46  ? 0.1702 0.1261 0.0065 0.0106  -0.0035 -0.0044 51  ARG L O   
2051 C  CB  . ARG B 46  ? 0.1767 0.1758 0.0650 -0.0058 0.0017  0.0050  51  ARG L CB  
2052 C  CG  . ARG B 46  ? 0.2360 0.2595 0.1642 -0.0453 0.0333  0.0348  51  ARG L CG  
2053 C  CD  . ARG B 46  ? 0.2792 0.3978 0.2821 -0.0980 -0.0033 0.0235  51  ARG L CD  
2054 N  NE  . ARG B 46  ? 0.4752 0.5165 0.4209 -0.0720 -0.0039 0.0840  51  ARG L NE  
2055 C  CZ  . ARG B 46  ? 0.4840 0.4944 0.4484 -0.0784 -0.0091 0.0588  51  ARG L CZ  
2056 N  NH1 . ARG B 46  ? 0.4045 0.5225 0.3171 -0.1846 -0.0823 0.0289  51  ARG L NH1 
2057 N  NH2 . ARG B 46  ? 0.5585 0.5714 0.5393 -0.1382 -0.0449 0.0303  51  ARG L NH2 
2058 N  N   . LEU B 47  ? 0.1677 0.1143 0.0064 0.0120  -0.0044 -0.0004 52  LEU L N   
2059 C  CA  . LEU B 47  ? 0.1504 0.1139 0.0088 0.0052  -0.0068 -0.0155 52  LEU L CA  
2060 C  C   . LEU B 47  ? 0.1454 0.1101 0.0063 0.0087  -0.0026 0.0000  52  LEU L C   
2061 O  O   . LEU B 47  ? 0.1354 0.1374 0.0064 0.0209  -0.0038 -0.0001 52  LEU L O   
2062 C  CB  . LEU B 47  ? 0.1434 0.1214 0.0096 0.0097  -0.0132 -0.0160 52  LEU L CB  
2063 C  CG  . LEU B 47  ? 0.1497 0.1220 0.0099 0.0126  -0.0123 -0.0183 52  LEU L CG  
2064 C  CD1 . LEU B 47  ? 0.1664 0.1231 0.0100 0.0120  -0.0100 -0.0195 52  LEU L CD1 
2065 C  CD2 . LEU B 47  ? 0.1633 0.1220 0.0120 0.0080  -0.0182 -0.0212 52  LEU L CD2 
2066 N  N   . PHE B 48  ? 0.1488 0.1101 0.0068 0.0132  -0.0026 -0.0073 53  PHE L N   
2067 C  CA  . PHE B 48  ? 0.1501 0.1244 0.0102 0.0146  -0.0158 -0.0174 53  PHE L CA  
2068 C  C   . PHE B 48  ? 0.1416 0.1161 0.0096 0.0185  -0.0199 0.0035  53  PHE L C   
2069 O  O   . PHE B 48  ? 0.1560 0.1233 0.0075 0.0240  -0.0105 0.0052  53  PHE L O   
2070 C  CB  . PHE B 48  ? 0.1660 0.1307 0.0096 0.0138  -0.0210 -0.0100 53  PHE L CB  
2071 C  CG  . PHE B 48  ? 0.1517 0.1262 0.0113 0.0152  -0.0246 -0.0124 53  PHE L CG  
2072 C  CD1 . PHE B 48  ? 0.1595 0.1284 0.0090 0.0074  -0.0165 -0.0103 53  PHE L CD1 
2073 C  CD2 . PHE B 48  ? 0.1700 0.1296 0.0218 0.0044  -0.0417 0.0030  53  PHE L CD2 
2074 C  CE1 . PHE B 48  ? 0.1432 0.1328 0.0094 0.0120  -0.0194 -0.0085 53  PHE L CE1 
2075 C  CE2 . PHE B 48  ? 0.1545 0.1395 0.0203 -0.0014 -0.0445 -0.0090 53  PHE L CE2 
2076 C  CZ  . PHE B 48  ? 0.1519 0.1297 0.0155 -0.0059 -0.0318 -0.0152 53  PHE L CZ  
2077 N  N   . ILE B 49  ? 0.1431 0.1118 0.0078 0.0172  -0.0103 -0.0101 54  ILE L N   
2078 C  CA  . ILE B 49  ? 0.1459 0.1184 0.0063 0.0062  -0.0012 -0.0020 54  ILE L CA  
2079 C  C   . ILE B 49  ? 0.1458 0.1074 0.0065 0.0134  -0.0039 -0.0037 54  ILE L C   
2080 O  O   . ILE B 49  ? 0.1632 0.1225 0.0073 0.0184  -0.0046 -0.0104 54  ILE L O   
2081 C  CB  . ILE B 49  ? 0.1656 0.1193 0.0063 0.0037  0.0020  -0.0006 54  ILE L CB  
2082 C  CG1 . ILE B 49  ? 0.1729 0.1281 0.0065 0.0029  0.0017  0.0047  54  ILE L CG1 
2083 C  CG2 . ILE B 49  ? 0.1585 0.1422 0.0064 -0.0030 -0.0005 0.0044  54  ILE L CG2 
2084 C  CD1 . ILE B 49  ? 0.1672 0.1771 0.0161 0.0107  -0.0138 0.0108  54  ILE L CD1 
2085 N  N   . TYR B 50  ? 0.1516 0.1104 0.0113 0.0115  -0.0004 -0.0102 55  TYR L N   
2086 C  CA  . TYR B 50  ? 0.1457 0.1210 0.0070 0.0145  -0.0070 -0.0074 55  TYR L CA  
2087 C  C   . TYR B 50  ? 0.1429 0.1198 0.0088 0.0153  -0.0004 -0.0168 55  TYR L C   
2088 O  O   . TYR B 50  ? 0.1516 0.1287 0.0094 0.0175  -0.0125 -0.0172 55  TYR L O   
2089 C  CB  . TYR B 50  ? 0.1593 0.1196 0.0072 0.0161  -0.0115 0.0011  55  TYR L CB  
2090 C  CG  . TYR B 50  ? 0.1633 0.1239 0.0078 0.0247  -0.0143 0.0019  55  TYR L CG  
2091 C  CD1 . TYR B 50  ? 0.1656 0.1224 0.0071 0.0264  -0.0114 -0.0012 55  TYR L CD1 
2092 C  CD2 . TYR B 50  ? 0.1611 0.1445 0.0214 0.0280  -0.0182 -0.0050 55  TYR L CD2 
2093 C  CE1 . TYR B 50  ? 0.1703 0.1369 0.0093 0.0270  -0.0008 0.0105  55  TYR L CE1 
2094 C  CE2 . TYR B 50  ? 0.1866 0.1547 0.0126 0.0325  -0.0211 -0.0271 55  TYR L CE2 
2095 C  CZ  . TYR B 50  ? 0.1822 0.1580 0.0076 0.0389  -0.0078 -0.0134 55  TYR L CZ  
2096 O  OH  . TYR B 50  ? 0.2124 0.1892 0.0290 0.0783  0.0039  -0.0200 55  TYR L OH  
2097 N  N   . GLY B 51  ? 0.1462 0.1260 0.0106 0.0131  -0.0153 -0.0157 56  GLY L N   
2098 C  CA  . GLY B 51  ? 0.1591 0.1267 0.0193 0.0131  -0.0166 -0.0179 56  GLY L CA  
2099 C  C   . GLY B 51  ? 0.1635 0.1095 0.0127 0.0088  -0.0115 -0.0240 56  GLY L C   
2100 O  O   . GLY B 51  ? 0.1847 0.1068 0.0254 0.0044  -0.0079 -0.0242 56  GLY L O   
2101 N  N   . ALA B 52  ? 0.1518 0.1016 0.0158 0.0058  -0.0139 -0.0237 57  ALA L N   
2102 C  CA  . ALA B 52  ? 0.1531 0.1172 0.0128 0.0043  0.0065  -0.0260 57  ALA L CA  
2103 C  C   . ALA B 52  ? 0.1530 0.1116 0.0115 0.0072  0.0019  -0.0232 57  ALA L C   
2104 O  O   . ALA B 52  ? 0.1469 0.1163 0.0073 -0.0008 0.0007  -0.0104 57  ALA L O   
2105 C  CB  . ALA B 52  ? 0.1663 0.1426 0.0203 -0.0034 0.0136  -0.0232 57  ALA L CB  
2106 N  N   . SER B 53  ? 0.1433 0.1208 0.0071 0.0176  0.0083  -0.0049 65  SER L N   
2107 C  CA  . SER B 53  ? 0.1386 0.1176 0.0182 0.0287  0.0164  -0.0124 65  SER L CA  
2108 C  C   . SER B 53  ? 0.1372 0.1165 0.0200 0.0262  0.0118  0.0011  65  SER L C   
2109 O  O   . SER B 53  ? 0.1552 0.1665 0.0066 0.0358  0.0008  -0.0071 65  SER L O   
2110 C  CB  . SER B 53  ? 0.1598 0.1316 0.0865 0.0189  0.0102  -0.0009 65  SER L CB  
2111 O  OG  . SER B 53  ? 0.2155 0.1437 0.1137 0.0157  0.0258  -0.0220 65  SER L OG  
2112 N  N   . ASN B 54  ? 0.1338 0.1173 0.0264 0.0161  -0.0019 0.0016  66  ASN L N   
2113 C  CA  . ASN B 54  ? 0.1410 0.1068 0.0094 0.0138  -0.0032 -0.0014 66  ASN L CA  
2114 C  C   . ASN B 54  ? 0.1402 0.1090 0.0064 0.0162  -0.0039 -0.0008 66  ASN L C   
2115 O  O   . ASN B 54  ? 0.1412 0.1091 0.0423 0.0142  -0.0079 -0.0112 66  ASN L O   
2116 C  CB  . ASN B 54  ? 0.1496 0.1021 0.0068 0.0105  -0.0029 0.0003  66  ASN L CB  
2117 C  CG  . ASN B 54  ? 0.1602 0.1034 0.0183 0.0138  -0.0056 0.0021  66  ASN L CG  
2118 O  OD1 . ASN B 54  ? 0.1741 0.1071 0.0469 0.0237  -0.0046 -0.0072 66  ASN L OD1 
2119 N  ND2 . ASN B 54  ? 0.1592 0.1286 0.0459 0.0163  0.0002  -0.0217 66  ASN L ND2 
2120 N  N   . ARG B 55  ? 0.1437 0.1096 0.0078 0.0147  0.0045  -0.0004 67  ARG L N   
2121 C  CA  . ARG B 55  ? 0.1567 0.1236 0.0063 0.0043  0.0003  0.0025  67  ARG L CA  
2122 C  C   . ARG B 55  ? 0.1565 0.1189 0.0065 0.0159  0.0019  -0.0046 67  ARG L C   
2123 O  O   . ARG B 55  ? 0.2005 0.1151 0.0073 0.0169  -0.0073 -0.0096 67  ARG L O   
2124 C  CB  . ARG B 55  ? 0.1573 0.1481 0.0224 0.0041  -0.0032 -0.0073 67  ARG L CB  
2125 C  CG  . ARG B 55  ? 0.1840 0.1853 0.0346 -0.0111 -0.0097 0.0157  67  ARG L CG  
2126 C  CD  . ARG B 55  ? 0.1841 0.2064 0.0546 -0.0188 -0.0155 -0.0111 67  ARG L CD  
2127 N  NE  . ARG B 55  ? 0.2217 0.2115 0.1021 -0.0118 -0.0240 -0.0141 67  ARG L NE  
2128 C  CZ  . ARG B 55  ? 0.2611 0.1940 0.0937 0.0035  -0.0197 -0.0414 67  ARG L CZ  
2129 N  NH1 . ARG B 55  ? 0.2697 0.2070 0.0638 0.0346  -0.0431 -0.0435 67  ARG L NH1 
2130 N  NH2 . ARG B 55  ? 0.3340 0.2272 0.0893 0.0328  -0.0073 -0.0377 67  ARG L NH2 
2131 N  N   . ALA B 56  ? 0.1633 0.1106 0.0067 0.0097  0.0027  -0.0058 68  ALA L N   
2132 C  CA  . ALA B 56  ? 0.1580 0.1290 0.0078 0.0039  -0.0124 0.0071  68  ALA L CA  
2133 C  C   . ALA B 56  ? 0.1595 0.1556 0.0067 0.0030  -0.0069 0.0028  68  ALA L C   
2134 O  O   . ALA B 56  ? 0.1645 0.1595 0.0064 0.0101  -0.0043 0.0019  68  ALA L O   
2135 C  CB  . ALA B 56  ? 0.1659 0.1339 0.0116 0.0071  -0.0168 0.0167  68  ALA L CB  
2136 N  N   . THR B 57  ? 0.1792 0.2167 0.0076 -0.0068 -0.0134 0.0082  69  THR L N   
2137 C  CA  . THR B 57  ? 0.2035 0.2749 0.0080 -0.0274 -0.0075 0.0208  69  THR L CA  
2138 C  C   . THR B 57  ? 0.2205 0.2615 0.0072 -0.0336 0.0004  0.0150  69  THR L C   
2139 O  O   . THR B 57  ? 0.2618 0.2497 0.0774 -0.0392 -0.0028 0.0353  69  THR L O   
2140 C  CB  . THR B 57  ? 0.1942 0.3041 0.0102 -0.0100 -0.0121 0.0313  69  THR L CB  
2141 O  OG1 . THR B 57  ? 0.2141 0.3688 0.0779 0.0164  0.0025  0.0482  69  THR L OG1 
2142 C  CG2 . THR B 57  ? 0.2185 0.4040 0.0135 -0.0474 0.0377  -0.0221 69  THR L CG2 
2143 N  N   . GLY B 58  ? 0.2667 0.3542 0.0142 -0.0813 0.0394  0.0126  70  GLY L N   
2144 C  CA  . GLY B 58  ? 0.2947 0.3660 0.0415 -0.1140 0.0012  0.0198  70  GLY L CA  
2145 C  C   . GLY B 58  ? 0.2985 0.3060 0.0443 -0.1232 0.0069  0.0111  70  GLY L C   
2146 O  O   . GLY B 58  ? 0.4249 0.4463 0.1149 -0.2672 -0.0240 0.0111  70  GLY L O   
2147 N  N   . ILE B 59  ? 0.1952 0.2254 0.0069 -0.0448 -0.0097 -0.0027 71  ILE L N   
2148 C  CA  . ILE B 59  ? 0.1865 0.2064 0.0081 -0.0031 -0.0100 -0.0154 71  ILE L CA  
2149 C  C   . ILE B 59  ? 0.1516 0.2085 0.0237 -0.0097 0.0018  -0.0046 71  ILE L C   
2150 O  O   . ILE B 59  ? 0.1799 0.2067 0.0198 0.0117  -0.0080 -0.0088 71  ILE L O   
2151 C  CB  . ILE B 59  ? 0.1680 0.1774 0.0100 0.0043  -0.0110 -0.0227 71  ILE L CB  
2152 C  CG1 . ILE B 59  ? 0.1767 0.1798 0.0122 0.0095  -0.0126 -0.0300 71  ILE L CG1 
2153 C  CG2 . ILE B 59  ? 0.1683 0.1950 0.0072 0.0164  -0.0087 -0.0103 71  ILE L CG2 
2154 C  CD1 . ILE B 59  ? 0.1864 0.1710 0.0075 0.0016  -0.0126 -0.0077 71  ILE L CD1 
2155 N  N   . PRO B 60  ? 0.1496 0.2413 0.0342 -0.0194 -0.0002 -0.0064 72  PRO L N   
2156 C  CA  . PRO B 60  ? 0.1756 0.2411 0.0321 -0.0126 -0.0066 0.0017  72  PRO L CA  
2157 C  C   . PRO B 60  ? 0.1393 0.2171 0.0109 0.0022  -0.0203 -0.0183 72  PRO L C   
2158 O  O   . PRO B 60  ? 0.1402 0.2259 0.0088 0.0061  -0.0066 -0.0139 72  PRO L O   
2159 C  CB  . PRO B 60  ? 0.2074 0.2620 0.0701 -0.0446 -0.0513 0.0142  72  PRO L CB  
2160 C  CG  . PRO B 60  ? 0.2246 0.3047 0.1402 -0.0208 -0.0371 -0.0224 72  PRO L CG  
2161 C  CD  . PRO B 60  ? 0.1966 0.2531 0.0378 -0.0098 -0.0272 -0.0026 72  PRO L CD  
2162 N  N   . ASP B 61  ? 0.1664 0.2384 0.0117 0.0242  0.0066  -0.0256 74  ASP L N   
2163 C  CA  . ASP B 61  ? 0.1924 0.2221 0.0425 0.0232  -0.0042 -0.0299 74  ASP L CA  
2164 C  C   . ASP B 61  ? 0.1721 0.1761 0.0276 0.0168  -0.0244 -0.0173 74  ASP L C   
2165 O  O   . ASP B 61  ? 0.1827 0.1781 0.0340 0.0237  -0.0114 -0.0203 74  ASP L O   
2166 C  CB  . ASP B 61  ? 0.2300 0.2735 0.0898 0.0606  0.0211  -0.0410 74  ASP L CB  
2167 C  CG  . ASP B 61  ? 0.3364 0.3742 0.1350 0.0842  0.0433  -0.0812 74  ASP L CG  
2168 O  OD1 . ASP B 61  ? 0.4673 0.4403 0.1599 0.0295  -0.0171 -0.1105 74  ASP L OD1 
2169 O  OD2 . ASP B 61  ? 0.3808 0.4903 0.3305 0.0977  0.1283  -0.1136 74  ASP L OD2 
2170 N  N   . ARG B 62  ? 0.1398 0.1726 0.0069 0.0055  0.0031  -0.0096 75  ARG L N   
2171 C  CA  . ARG B 62  ? 0.1468 0.1501 0.0065 0.0001  0.0000  -0.0060 75  ARG L CA  
2172 C  C   . ARG B 62  ? 0.1351 0.1475 0.0064 0.0057  0.0003  -0.0045 75  ARG L C   
2173 O  O   . ARG B 62  ? 0.1299 0.1665 0.0084 0.0077  0.0019  -0.0183 75  ARG L O   
2174 C  CB  . ARG B 62  ? 0.1556 0.1564 0.0076 -0.0081 -0.0125 -0.0057 75  ARG L CB  
2175 C  CG  . ARG B 62  ? 0.1681 0.1533 0.0080 -0.0187 -0.0067 -0.0020 75  ARG L CG  
2176 C  CD  . ARG B 62  ? 0.1709 0.1539 0.0500 -0.0213 -0.0088 -0.0064 75  ARG L CD  
2177 N  NE  . ARG B 62  ? 0.1699 0.1482 0.0495 -0.0208 -0.0028 -0.0134 75  ARG L NE  
2178 C  CZ  . ARG B 62  ? 0.1727 0.1690 0.0702 -0.0189 -0.0104 -0.0159 75  ARG L CZ  
2179 N  NH1 . ARG B 62  ? 0.1998 0.1608 0.0678 -0.0010 -0.0146 -0.0262 75  ARG L NH1 
2180 N  NH2 . ARG B 62  ? 0.1716 0.1906 0.0710 -0.0185 0.0032  -0.0259 75  ARG L NH2 
2181 N  N   . PHE B 63  ? 0.1310 0.1494 0.0066 0.0057  -0.0040 -0.0053 76  PHE L N   
2182 C  CA  . PHE B 63  ? 0.1381 0.1426 0.0066 0.0065  0.0046  -0.0041 76  PHE L CA  
2183 C  C   . PHE B 63  ? 0.1280 0.1381 0.0133 -0.0007 0.0025  -0.0081 76  PHE L C   
2184 O  O   . PHE B 63  ? 0.1503 0.1510 0.0419 0.0011  0.0071  -0.0330 76  PHE L O   
2185 C  CB  . PHE B 63  ? 0.1423 0.1432 0.0071 0.0004  -0.0106 -0.0018 76  PHE L CB  
2186 C  CG  . PHE B 63  ? 0.1605 0.1429 0.0150 0.0009  -0.0357 0.0070  76  PHE L CG  
2187 C  CD1 . PHE B 63  ? 0.1713 0.1493 0.0506 -0.0101 -0.0446 -0.0006 76  PHE L CD1 
2188 C  CD2 . PHE B 63  ? 0.1708 0.1527 0.0152 0.0042  -0.0332 0.0171  76  PHE L CD2 
2189 C  CE1 . PHE B 63  ? 0.1654 0.1510 0.0793 -0.0246 -0.0511 0.0136  76  PHE L CE1 
2190 C  CE2 . PHE B 63  ? 0.2024 0.1511 0.0203 -0.0009 -0.0373 0.0193  76  PHE L CE2 
2191 C  CZ  . PHE B 63  ? 0.2043 0.1393 0.0319 -0.0198 -0.0580 0.0093  76  PHE L CZ  
2192 N  N   . SER B 64  ? 0.1311 0.1303 0.0219 -0.0046 0.0068  -0.0223 77  SER L N   
2193 C  CA  . SER B 64  ? 0.1440 0.1348 0.0330 -0.0080 -0.0033 -0.0338 77  SER L CA  
2194 C  C   . SER B 64  ? 0.1368 0.1188 0.0267 -0.0110 -0.0029 -0.0239 77  SER L C   
2195 O  O   . SER B 64  ? 0.1279 0.1675 0.0442 0.0054  -0.0071 -0.0514 77  SER L O   
2196 C  CB  . SER B 64  ? 0.1756 0.1417 0.0777 -0.0006 0.0014  -0.0290 77  SER L CB  
2197 O  OG  . SER B 64  ? 0.1886 0.1753 0.0837 0.0133  -0.0229 -0.0002 77  SER L OG  
2198 N  N   . GLY B 65  ? 0.1334 0.1146 0.0210 -0.0104 -0.0035 -0.0168 78  GLY L N   
2199 C  CA  . GLY B 65  ? 0.1303 0.1191 0.0364 -0.0009 -0.0017 -0.0196 78  GLY L CA  
2200 C  C   . GLY B 65  ? 0.1297 0.1166 0.0437 0.0079  -0.0027 -0.0117 78  GLY L C   
2201 O  O   . GLY B 65  ? 0.1461 0.1169 0.0638 -0.0006 0.0022  -0.0236 78  GLY L O   
2202 N  N   . SER B 66  ? 0.1311 0.1059 0.0378 0.0018  -0.0022 -0.0179 79  SER L N   
2203 C  CA  . SER B 66  ? 0.1532 0.1115 0.0619 -0.0012 -0.0065 -0.0167 79  SER L CA  
2204 C  C   . SER B 66  ? 0.1480 0.1113 0.0415 0.0002  -0.0145 -0.0091 79  SER L C   
2205 O  O   . SER B 66  ? 0.1526 0.1054 0.0435 -0.0021 -0.0118 -0.0140 79  SER L O   
2206 C  CB  . SER B 66  ? 0.1498 0.1469 0.1180 -0.0098 -0.0279 0.0012  79  SER L CB  
2207 O  OG  . SER B 66  ? 0.2219 0.1894 0.1033 0.0084  -0.0305 0.0132  79  SER L OG  
2208 N  N   . GLY B 67  ? 0.1440 0.1254 0.0838 -0.0102 -0.0030 -0.0167 80  GLY L N   
2209 C  CA  . GLY B 67  ? 0.1423 0.1325 0.0827 -0.0161 -0.0012 0.0059  80  GLY L CA  
2210 C  C   . GLY B 67  ? 0.1603 0.1586 0.0944 -0.0180 -0.0125 -0.0041 80  GLY L C   
2211 O  O   . GLY B 67  ? 0.1706 0.1936 0.1092 -0.0184 -0.0098 -0.0536 80  GLY L O   
2212 N  N   . SER B 68  ? 0.1668 0.1962 0.1187 -0.0143 -0.0055 -0.0242 83  SER L N   
2213 C  CA  . SER B 68  ? 0.1740 0.1927 0.1532 -0.0209 -0.0079 -0.0280 83  SER L CA  
2214 C  C   . SER B 68  ? 0.1586 0.1875 0.1321 -0.0391 -0.0040 -0.0375 83  SER L C   
2215 O  O   . SER B 68  ? 0.1887 0.1997 0.1171 -0.0285 -0.0109 -0.0142 83  SER L O   
2216 C  CB  . SER B 68  ? 0.2230 0.2143 0.2079 -0.0066 0.0150  -0.0451 83  SER L CB  
2217 O  OG  . SER B 68  ? 0.2416 0.1989 0.2817 -0.0031 0.0025  -0.0086 83  SER L OG  
2218 N  N   . GLY B 69  ? 0.1615 0.2108 0.1360 -0.0277 -0.0065 -0.0444 84  GLY L N   
2219 C  CA  . GLY B 69  ? 0.1406 0.1940 0.1321 -0.0281 -0.0253 -0.0315 84  GLY L CA  
2220 C  C   . GLY B 69  ? 0.1301 0.1741 0.1063 -0.0167 -0.0222 -0.0026 84  GLY L C   
2221 O  O   . GLY B 69  ? 0.1529 0.2247 0.1186 -0.0036 -0.0312 0.0045  84  GLY L O   
2222 N  N   . THR B 70  ? 0.1474 0.1631 0.0863 -0.0151 -0.0240 0.0260  85  THR L N   
2223 C  CA  . THR B 70  ? 0.1420 0.1635 0.0868 0.0004  -0.0247 0.0217  85  THR L CA  
2224 C  C   . THR B 70  ? 0.1396 0.1513 0.0654 0.0024  -0.0157 0.0141  85  THR L C   
2225 O  O   . THR B 70  ? 0.1416 0.1579 0.0926 0.0116  -0.0238 0.0041  85  THR L O   
2226 C  CB  . THR B 70  ? 0.1510 0.1775 0.1286 -0.0128 -0.0147 0.0168  85  THR L CB  
2227 O  OG1 . THR B 70  ? 0.1926 0.2225 0.1130 -0.0069 -0.0156 0.0317  85  THR L OG1 
2228 C  CG2 . THR B 70  ? 0.1510 0.1960 0.1548 -0.0371 -0.0027 0.0116  85  THR L CG2 
2229 N  N   . TYR B 71  ? 0.1388 0.1270 0.0233 0.0007  -0.0123 -0.0012 86  TYR L N   
2230 C  CA  . TYR B 71  ? 0.1321 0.1242 0.0325 -0.0023 -0.0086 0.0124  86  TYR L CA  
2231 C  C   . TYR B 71  ? 0.1278 0.1104 0.0268 0.0007  -0.0128 0.0126  86  TYR L C   
2232 O  O   . TYR B 71  ? 0.1525 0.1202 0.0653 0.0100  0.0086  0.0101  86  TYR L O   
2233 C  CB  . TYR B 71  ? 0.1467 0.1408 0.0322 -0.0084 -0.0073 0.0205  86  TYR L CB  
2234 C  CG  . TYR B 71  ? 0.1471 0.1370 0.0109 -0.0057 -0.0076 0.0237  86  TYR L CG  
2235 C  CD1 . TYR B 71  ? 0.1440 0.1401 0.0205 -0.0009 -0.0092 0.0186  86  TYR L CD1 
2236 C  CD2 . TYR B 71  ? 0.1490 0.1471 0.0256 -0.0060 -0.0104 0.0168  86  TYR L CD2 
2237 C  CE1 . TYR B 71  ? 0.1445 0.1486 0.0076 0.0026  -0.0111 0.0073  86  TYR L CE1 
2238 C  CE2 . TYR B 71  ? 0.1302 0.1445 0.0198 0.0095  -0.0264 0.0284  86  TYR L CE2 
2239 C  CZ  . TYR B 71  ? 0.1469 0.1492 0.0159 0.0078  -0.0256 0.0251  86  TYR L CZ  
2240 O  OH  . TYR B 71  ? 0.1437 0.1568 0.0342 0.0011  -0.0142 0.0191  86  TYR L OH  
2241 N  N   . PHE B 72  ? 0.1267 0.1050 0.0254 -0.0017 -0.0128 0.0027  87  PHE L N   
2242 C  CA  . PHE B 72  ? 0.1199 0.1146 0.0265 -0.0028 -0.0130 0.0049  87  PHE L CA  
2243 C  C   . PHE B 72  ? 0.1174 0.1058 0.0103 0.0111  -0.0188 0.0074  87  PHE L C   
2244 O  O   . PHE B 72  ? 0.1318 0.1163 0.0361 0.0172  -0.0132 -0.0112 87  PHE L O   
2245 C  CB  . PHE B 72  ? 0.1320 0.1331 0.0197 -0.0036 -0.0114 -0.0004 87  PHE L CB  
2246 C  CG  . PHE B 72  ? 0.1371 0.1459 0.0265 -0.0015 -0.0197 -0.0029 87  PHE L CG  
2247 C  CD1 . PHE B 72  ? 0.1412 0.1629 0.0164 0.0035  -0.0362 -0.0087 87  PHE L CD1 
2248 C  CD2 . PHE B 72  ? 0.1358 0.1564 0.0249 0.0127  -0.0288 -0.0046 87  PHE L CD2 
2249 C  CE1 . PHE B 72  ? 0.1335 0.1649 0.0418 -0.0013 -0.0200 -0.0105 87  PHE L CE1 
2250 C  CE2 . PHE B 72  ? 0.1519 0.1562 0.0289 0.0131  -0.0295 -0.0163 87  PHE L CE2 
2251 C  CZ  . PHE B 72  ? 0.1434 0.1510 0.0338 -0.0012 -0.0359 -0.0146 87  PHE L CZ  
2252 N  N   . THR B 73  ? 0.1197 0.1182 0.0124 0.0074  -0.0047 -0.0035 88  THR L N   
2253 C  CA  . THR B 73  ? 0.1258 0.1089 0.0088 0.0063  -0.0096 0.0126  88  THR L CA  
2254 C  C   . THR B 73  ? 0.1319 0.0981 0.0072 0.0073  -0.0095 -0.0045 88  THR L C   
2255 O  O   . THR B 73  ? 0.1602 0.1060 0.0074 0.0009  0.0044  -0.0097 88  THR L O   
2256 C  CB  . THR B 73  ? 0.1397 0.1455 0.0118 0.0148  -0.0081 0.0252  88  THR L CB  
2257 O  OG1 . THR B 73  ? 0.1656 0.1574 0.0408 0.0202  -0.0071 0.0293  88  THR L OG1 
2258 C  CG2 . THR B 73  ? 0.1577 0.1868 0.0300 0.0084  0.0067  0.0282  88  THR L CG2 
2259 N  N   . LEU B 74  ? 0.1267 0.0956 0.0065 0.0054  -0.0032 -0.0038 89  LEU L N   
2260 C  CA  . LEU B 74  ? 0.1205 0.1004 0.0136 0.0022  -0.0043 -0.0156 89  LEU L CA  
2261 C  C   . LEU B 74  ? 0.1210 0.1116 0.0104 0.0020  -0.0046 -0.0203 89  LEU L C   
2262 O  O   . LEU B 74  ? 0.1414 0.1257 0.0083 0.0078  0.0002  -0.0153 89  LEU L O   
2263 C  CB  . LEU B 74  ? 0.1280 0.1133 0.0278 0.0087  -0.0030 -0.0061 89  LEU L CB  
2264 C  CG  . LEU B 74  ? 0.1538 0.1184 0.0186 0.0009  -0.0045 0.0021  89  LEU L CG  
2265 C  CD1 . LEU B 74  ? 0.1707 0.1406 0.0268 -0.0023 0.0131  0.0031  89  LEU L CD1 
2266 C  CD2 . LEU B 74  ? 0.1768 0.1277 0.0305 0.0089  -0.0088 0.0091  89  LEU L CD2 
2267 N  N   . THR B 75  ? 0.1120 0.1032 0.0133 0.0026  -0.0178 -0.0199 90  THR L N   
2268 C  CA  . THR B 75  ? 0.1119 0.1167 0.0122 -0.0057 -0.0165 -0.0180 90  THR L CA  
2269 C  C   . THR B 75  ? 0.1212 0.1244 0.0120 -0.0016 -0.0050 -0.0253 90  THR L C   
2270 O  O   . THR B 75  ? 0.1409 0.1567 0.0123 -0.0057 -0.0153 -0.0247 90  THR L O   
2271 C  CB  . THR B 75  ? 0.1318 0.1235 0.0498 -0.0164 -0.0284 -0.0029 90  THR L CB  
2272 O  OG1 . THR B 75  ? 0.1590 0.1497 0.0420 -0.0378 -0.0422 0.0315  90  THR L OG1 
2273 C  CG2 . THR B 75  ? 0.1499 0.1619 0.0795 -0.0158 -0.0408 0.0201  90  THR L CG2 
2274 N  N   . ILE B 76  ? 0.1305 0.1199 0.0109 0.0000  -0.0032 -0.0227 91  ILE L N   
2275 C  CA  . ILE B 76  ? 0.1336 0.1177 0.0097 0.0011  -0.0089 -0.0175 91  ILE L CA  
2276 C  C   . ILE B 76  ? 0.1476 0.1124 0.0075 0.0064  -0.0080 -0.0095 91  ILE L C   
2277 O  O   . ILE B 76  ? 0.1369 0.1263 0.0074 0.0061  -0.0039 -0.0110 91  ILE L O   
2278 C  CB  . ILE B 76  ? 0.1425 0.1264 0.0084 0.0031  -0.0089 -0.0138 91  ILE L CB  
2279 C  CG1 . ILE B 76  ? 0.1619 0.1337 0.0095 0.0040  -0.0193 0.0001  91  ILE L CG1 
2280 C  CG2 . ILE B 76  ? 0.1371 0.1485 0.0262 -0.0039 -0.0180 -0.0194 91  ILE L CG2 
2281 C  CD1 . ILE B 76  ? 0.1842 0.1356 0.0129 0.0046  -0.0329 0.0030  91  ILE L CD1 
2282 N  N   . SER B 77  ? 0.1384 0.1165 0.0069 0.0115  -0.0090 -0.0010 92  SER L N   
2283 C  CA  . SER B 77  ? 0.1449 0.1167 0.0066 0.0148  -0.0064 0.0014  92  SER L CA  
2284 C  C   . SER B 77  ? 0.1593 0.1256 0.0083 0.0092  -0.0167 0.0030  92  SER L C   
2285 O  O   . SER B 77  ? 0.1604 0.1388 0.0088 -0.0055 -0.0110 0.0154  92  SER L O   
2286 C  CB  . SER B 77  ? 0.1592 0.1167 0.0202 0.0267  -0.0062 0.0076  92  SER L CB  
2287 O  OG  . SER B 77  ? 0.1857 0.1853 0.0243 0.0284  0.0072  0.0102  92  SER L OG  
2288 N  N   . ARG B 78  ? 0.1634 0.1189 0.0132 -0.0015 -0.0263 0.0023  93  ARG L N   
2289 C  CA  . ARG B 78  ? 0.1624 0.1381 0.0139 -0.0046 -0.0098 0.0044  93  ARG L CA  
2290 C  C   . ARG B 78  ? 0.1631 0.1412 0.0098 -0.0025 0.0114  0.0098  93  ARG L C   
2291 O  O   . ARG B 78  ? 0.1855 0.1506 0.0069 -0.0102 0.0036  0.0088  93  ARG L O   
2292 C  CB  . ARG B 78  ? 0.1740 0.1558 0.0809 -0.0043 0.0024  0.0288  93  ARG L CB  
2293 C  CG  . ARG B 78  ? 0.2110 0.2011 0.1306 -0.0313 0.0022  0.0175  93  ARG L CG  
2294 C  CD  . ARG B 78  ? 0.2356 0.2603 0.2125 -0.0222 0.0300  0.0149  93  ARG L CD  
2295 N  NE  . ARG B 78  ? 0.3000 0.2936 0.2357 -0.0692 0.0237  0.0284  93  ARG L NE  
2296 C  CZ  . ARG B 78  ? 0.3314 0.3091 0.2075 -0.0995 0.0038  0.0625  93  ARG L CZ  
2297 N  NH1 . ARG B 78  ? 0.2709 0.3064 0.1618 -0.0343 0.0322  0.0083  93  ARG L NH1 
2298 N  NH2 . ARG B 78  ? 0.3698 0.2960 0.2907 -0.0591 -0.0265 0.0858  93  ARG L NH2 
2299 N  N   . LEU B 79  ? 0.1702 0.1339 0.0076 -0.0071 -0.0145 -0.0020 94  LEU L N   
2300 C  CA  . LEU B 79  ? 0.1625 0.1443 0.0250 -0.0056 -0.0100 0.0023  94  LEU L CA  
2301 C  C   . LEU B 79  ? 0.1595 0.1343 0.0308 0.0012  -0.0210 0.0182  94  LEU L C   
2302 O  O   . LEU B 79  ? 0.1835 0.1544 0.0497 -0.0204 -0.0524 0.0111  94  LEU L O   
2303 C  CB  . LEU B 79  ? 0.2088 0.1906 0.0378 -0.0039 -0.0071 -0.0249 94  LEU L CB  
2304 C  CG  . LEU B 79  ? 0.2413 0.3238 0.0261 0.0229  -0.0181 -0.0153 94  LEU L CG  
2305 C  CD1 . LEU B 79  ? 0.2072 0.3181 0.0153 0.0538  -0.0407 0.0041  94  LEU L CD1 
2306 C  CD2 . LEU B 79  ? 0.2279 0.3430 0.0374 0.0627  -0.0163 -0.0526 94  LEU L CD2 
2307 N  N   . GLU B 80  ? 0.1800 0.1388 0.0328 -0.0149 -0.0401 0.0208  95  GLU L N   
2308 C  CA  . GLU B 80  ? 0.1949 0.1601 0.0533 -0.0256 -0.0349 0.0077  95  GLU L CA  
2309 C  C   . GLU B 80  ? 0.2061 0.1502 0.0298 -0.0298 -0.0479 0.0096  95  GLU L C   
2310 O  O   . GLU B 80  ? 0.2154 0.1707 0.0143 -0.0351 -0.0408 0.0052  95  GLU L O   
2311 C  CB  A GLU B 80  ? 0.1973 0.1460 0.0614 -0.0271 -0.0172 0.0084  95  GLU L CB  
2312 C  CB  B GLU B 80  ? 0.2191 0.1716 0.0533 -0.0325 -0.0181 0.0203  95  GLU L CB  
2313 C  CG  A GLU B 80  ? 0.1978 0.1597 0.0987 -0.0205 -0.0185 -0.0063 95  GLU L CG  
2314 C  CG  B GLU B 80  ? 0.2400 0.2101 0.0994 -0.0238 -0.0239 0.0090  95  GLU L CG  
2315 C  CD  A GLU B 80  ? 0.1988 0.1559 0.1442 -0.0142 -0.0224 -0.0235 95  GLU L CD  
2316 C  CD  B GLU B 80  ? 0.2754 0.2480 0.1225 -0.0231 -0.0190 -0.0027 95  GLU L CD  
2317 O  OE1 A GLU B 80  ? 0.2031 0.1376 0.1731 -0.0090 -0.0123 -0.0267 95  GLU L OE1 
2318 O  OE1 B GLU B 80  ? 0.3407 0.3129 0.1795 0.0061  -0.0968 0.0257  95  GLU L OE1 
2319 O  OE2 A GLU B 80  ? 0.2230 0.1573 0.1895 0.0037  -0.0210 -0.0216 95  GLU L OE2 
2320 O  OE2 B GLU B 80  ? 0.3383 0.2953 0.2839 0.0283  -0.0298 0.0230  95  GLU L OE2 
2321 N  N   . PRO B 81  ? 0.2135 0.1711 0.0649 -0.0418 -0.0494 0.0123  96  PRO L N   
2322 C  CA  . PRO B 81  ? 0.2256 0.1647 0.0607 -0.0358 -0.0469 0.0079  96  PRO L CA  
2323 C  C   . PRO B 81  ? 0.2274 0.1511 0.0546 -0.0230 -0.0489 -0.0106 96  PRO L C   
2324 O  O   . PRO B 81  ? 0.2562 0.1497 0.0241 -0.0117 -0.0279 -0.0020 96  PRO L O   
2325 C  CB  . PRO B 81  ? 0.2562 0.2112 0.0865 -0.0576 -0.0367 -0.0035 96  PRO L CB  
2326 C  CG  . PRO B 81  ? 0.2565 0.2111 0.2052 -0.0555 -0.0360 0.0028  96  PRO L CG  
2327 C  CD  . PRO B 81  ? 0.2309 0.1958 0.1154 -0.0389 -0.0424 0.0054  96  PRO L CD  
2328 N  N   . GLU B 82  ? 0.2308 0.1346 0.0472 -0.0180 -0.0315 0.0085  97  GLU L N   
2329 C  CA  . GLU B 82  ? 0.2122 0.1671 0.0268 -0.0141 -0.0143 0.0177  97  GLU L CA  
2330 C  C   . GLU B 82  ? 0.2038 0.1452 0.0129 -0.0214 -0.0331 0.0061  97  GLU L C   
2331 O  O   . GLU B 82  ? 0.2129 0.1696 0.0147 -0.0292 -0.0404 0.0149  97  GLU L O   
2332 C  CB  . GLU B 82  ? 0.2238 0.1935 0.0226 0.0002  -0.0056 0.0318  97  GLU L CB  
2333 C  CG  . GLU B 82  ? 0.2815 0.2328 0.0219 0.0006  0.0221  0.0318  97  GLU L CG  
2334 C  CD  . GLU B 82  ? 0.3469 0.3586 0.1766 0.0462  0.0276  0.0421  97  GLU L CD  
2335 O  OE1 . GLU B 82  ? 0.4657 0.3043 0.1145 0.0744  0.0695  0.1175  97  GLU L OE1 
2336 O  OE2 . GLU B 82  ? 0.4108 0.4057 0.2785 0.0242  0.0324  -0.0450 97  GLU L OE2 
2337 N  N   . ASP B 83  ? 0.1879 0.1436 0.0086 -0.0163 -0.0204 0.0004  98  ASP L N   
2338 C  CA  . ASP B 83  ? 0.1844 0.1324 0.0121 -0.0068 -0.0228 -0.0029 98  ASP L CA  
2339 C  C   . ASP B 83  ? 0.1830 0.1379 0.0086 -0.0162 -0.0194 -0.0027 98  ASP L C   
2340 O  O   . ASP B 83  ? 0.1924 0.1335 0.0124 -0.0205 -0.0095 -0.0180 98  ASP L O   
2341 C  CB  . ASP B 83  ? 0.1750 0.1416 0.0098 0.0006  -0.0235 0.0055  98  ASP L CB  
2342 C  CG  . ASP B 83  ? 0.1622 0.1390 0.0148 -0.0050 -0.0207 0.0031  98  ASP L CG  
2343 O  OD1 . ASP B 83  ? 0.1983 0.1655 0.0148 -0.0143 -0.0196 0.0073  98  ASP L OD1 
2344 O  OD2 . ASP B 83  ? 0.1882 0.1431 0.0181 -0.0108 -0.0263 0.0064  98  ASP L OD2 
2345 N  N   . PHE B 84  ? 0.1648 0.1373 0.0183 -0.0197 -0.0255 -0.0091 99  PHE L N   
2346 C  CA  . PHE B 84  ? 0.1704 0.1421 0.0109 -0.0112 -0.0247 -0.0090 99  PHE L CA  
2347 C  C   . PHE B 84  ? 0.1651 0.1383 0.0116 -0.0082 -0.0291 0.0011  99  PHE L C   
2348 O  O   . PHE B 84  ? 0.1942 0.1468 0.0105 -0.0224 -0.0077 -0.0014 99  PHE L O   
2349 C  CB  . PHE B 84  ? 0.1857 0.1439 0.0350 -0.0120 -0.0339 -0.0243 99  PHE L CB  
2350 C  CG  . PHE B 84  ? 0.2164 0.1320 0.0794 -0.0326 -0.0466 -0.0244 99  PHE L CG  
2351 C  CD1 . PHE B 84  ? 0.2316 0.1545 0.0933 -0.0259 -0.0443 -0.0088 99  PHE L CD1 
2352 C  CD2 . PHE B 84  ? 0.2506 0.1631 0.1132 -0.0267 -0.0422 -0.0196 99  PHE L CD2 
2353 C  CE1 . PHE B 84  ? 0.3022 0.1632 0.1469 -0.0381 -0.0590 0.0103  99  PHE L CE1 
2354 C  CE2 . PHE B 84  ? 0.2896 0.1649 0.1658 -0.0393 -0.0331 -0.0086 99  PHE L CE2 
2355 C  CZ  . PHE B 84  ? 0.3111 0.1530 0.1388 -0.0283 -0.0272 0.0133  99  PHE L CZ  
2356 N  N   . ALA B 85  ? 0.1746 0.1357 0.0159 -0.0064 -0.0382 -0.0098 100 ALA L N   
2357 C  CA  . ALA B 85  ? 0.1773 0.1291 0.0156 0.0066  -0.0323 -0.0210 100 ALA L CA  
2358 C  C   . ALA B 85  ? 0.1726 0.1114 0.0130 0.0058  -0.0309 -0.0090 100 ALA L C   
2359 O  O   . ALA B 85  ? 0.1885 0.1749 0.0116 0.0004  -0.0309 -0.0009 100 ALA L O   
2360 C  CB  . ALA B 85  ? 0.1924 0.1283 0.0162 0.0060  -0.0334 -0.0228 100 ALA L CB  
2361 N  N   . VAL B 86  ? 0.1841 0.1234 0.0138 -0.0016 -0.0360 0.0053  101 VAL L N   
2362 C  CA  . VAL B 86  ? 0.1756 0.1153 0.0117 0.0067  -0.0289 -0.0083 101 VAL L CA  
2363 C  C   . VAL B 86  ? 0.1622 0.1179 0.0096 0.0011  -0.0171 -0.0128 101 VAL L C   
2364 O  O   . VAL B 86  ? 0.1885 0.1305 0.0089 -0.0044 -0.0120 -0.0145 101 VAL L O   
2365 C  CB  . VAL B 86  ? 0.1864 0.1333 0.0118 0.0138  -0.0312 -0.0055 101 VAL L CB  
2366 C  CG1 . VAL B 86  ? 0.1899 0.1458 0.0128 0.0105  -0.0287 -0.0033 101 VAL L CG1 
2367 C  CG2 . VAL B 86  ? 0.2005 0.1446 0.0093 0.0226  -0.0204 -0.0129 101 VAL L CG2 
2368 N  N   . TYR B 87  ? 0.1536 0.1126 0.0114 -0.0033 -0.0228 -0.0122 102 TYR L N   
2369 C  CA  . TYR B 87  ? 0.1433 0.1127 0.0085 0.0025  -0.0083 -0.0134 102 TYR L CA  
2370 C  C   . TYR B 87  ? 0.1400 0.1281 0.0090 0.0030  -0.0090 -0.0163 102 TYR L C   
2371 O  O   . TYR B 87  ? 0.1563 0.1467 0.0089 0.0132  0.0046  -0.0180 102 TYR L O   
2372 C  CB  . TYR B 87  ? 0.1456 0.1027 0.0086 0.0033  -0.0075 -0.0138 102 TYR L CB  
2373 C  CG  . TYR B 87  ? 0.1445 0.1047 0.0092 0.0041  -0.0107 -0.0146 102 TYR L CG  
2374 C  CD1 . TYR B 87  ? 0.1461 0.1056 0.0107 0.0054  -0.0117 -0.0190 102 TYR L CD1 
2375 C  CD2 . TYR B 87  ? 0.1577 0.1165 0.0109 0.0015  -0.0225 -0.0121 102 TYR L CD2 
2376 C  CE1 . TYR B 87  ? 0.1434 0.1104 0.0102 0.0041  -0.0193 -0.0115 102 TYR L CE1 
2377 C  CE2 . TYR B 87  ? 0.1439 0.1134 0.0128 0.0020  -0.0239 -0.0163 102 TYR L CE2 
2378 C  CZ  . TYR B 87  ? 0.1384 0.1169 0.0101 0.0061  -0.0183 -0.0128 102 TYR L CZ  
2379 O  OH  . TYR B 87  ? 0.1412 0.1460 0.0087 0.0009  -0.0178 0.0033  102 TYR L OH  
2380 N  N   . TYR B 88  ? 0.1553 0.1233 0.0083 0.0039  -0.0035 -0.0152 103 TYR L N   
2381 C  CA  . TYR B 88  ? 0.1524 0.1207 0.0063 0.0108  -0.0007 -0.0025 103 TYR L CA  
2382 C  C   . TYR B 88  ? 0.1424 0.1321 0.0126 0.0018  -0.0213 -0.0194 103 TYR L C   
2383 O  O   . TYR B 88  ? 0.1619 0.1266 0.0081 0.0059  -0.0008 -0.0147 103 TYR L O   
2384 C  CB  . TYR B 88  ? 0.1481 0.1240 0.0097 0.0183  -0.0157 -0.0158 103 TYR L CB  
2385 C  CG  . TYR B 88  ? 0.1559 0.1213 0.0108 0.0212  -0.0258 -0.0063 103 TYR L CG  
2386 C  CD1 . TYR B 88  ? 0.1533 0.1358 0.0122 0.0217  -0.0294 -0.0041 103 TYR L CD1 
2387 C  CD2 . TYR B 88  ? 0.1522 0.1369 0.0107 0.0234  -0.0218 -0.0156 103 TYR L CD2 
2388 C  CE1 . TYR B 88  ? 0.1704 0.1420 0.0333 0.0274  -0.0206 -0.0221 103 TYR L CE1 
2389 C  CE2 . TYR B 88  ? 0.1591 0.1339 0.0282 0.0249  -0.0381 -0.0031 103 TYR L CE2 
2390 C  CZ  . TYR B 88  ? 0.1667 0.1373 0.0166 0.0289  -0.0396 -0.0151 103 TYR L CZ  
2391 O  OH  . TYR B 88  ? 0.2055 0.1335 0.0478 0.0382  -0.0322 -0.0085 103 TYR L OH  
2392 N  N   . CYS B 89  ? 0.1486 0.1236 0.0108 0.0081  -0.0171 -0.0179 104 CYS L N   
2393 C  CA  . CYS B 89  ? 0.1402 0.1090 0.0083 0.0099  -0.0140 -0.0086 104 CYS L CA  
2394 C  C   . CYS B 89  ? 0.1526 0.1141 0.0101 0.0127  -0.0205 -0.0117 104 CYS L C   
2395 O  O   . CYS B 89  ? 0.1686 0.1437 0.0110 0.0269  -0.0249 -0.0147 104 CYS L O   
2396 C  CB  . CYS B 89  ? 0.1596 0.1275 0.0079 0.0126  -0.0079 -0.0125 104 CYS L CB  
2397 S  SG  . CYS B 89  ? 0.1679 0.1608 0.0071 0.0080  -0.0072 -0.0093 104 CYS L SG  
2398 N  N   . GLN B 90  ? 0.1389 0.1202 0.0106 0.0266  -0.0201 -0.0156 105 GLN L N   
2399 C  CA  . GLN B 90  ? 0.1354 0.1367 0.0084 0.0165  -0.0163 -0.0002 105 GLN L CA  
2400 C  C   . GLN B 90  ? 0.1555 0.1412 0.0094 0.0206  -0.0215 -0.0043 105 GLN L C   
2401 O  O   . GLN B 90  ? 0.1608 0.1511 0.0262 0.0194  -0.0187 -0.0288 105 GLN L O   
2402 C  CB  . GLN B 90  ? 0.1629 0.1405 0.0084 0.0050  -0.0154 -0.0094 105 GLN L CB  
2403 C  CG  . GLN B 90  ? 0.1541 0.1548 0.0132 0.0066  -0.0149 -0.0132 105 GLN L CG  
2404 C  CD  . GLN B 90  ? 0.1469 0.1634 0.0200 0.0050  -0.0023 -0.0083 105 GLN L CD  
2405 O  OE1 . GLN B 90  ? 0.1721 0.2114 0.0098 0.0095  -0.0214 -0.0133 105 GLN L OE1 
2406 N  NE2 . GLN B 90  ? 0.1491 0.1757 0.0082 -0.0142 -0.0073 0.0165  105 GLN L NE2 
2407 N  N   . GLN B 91  ? 0.1609 0.1466 0.0079 0.0236  -0.0042 -0.0149 106 GLN L N   
2408 C  CA  . GLN B 91  ? 0.1611 0.1516 0.0118 0.0128  -0.0171 -0.0108 106 GLN L CA  
2409 C  C   . GLN B 91  ? 0.1568 0.1494 0.0106 0.0109  -0.0027 -0.0249 106 GLN L C   
2410 O  O   . GLN B 91  ? 0.1743 0.1630 0.0094 0.0035  -0.0166 -0.0154 106 GLN L O   
2411 C  CB  . GLN B 91  ? 0.1915 0.1616 0.0155 0.0004  -0.0132 0.0048  106 GLN L CB  
2412 C  CG  . GLN B 91  ? 0.1826 0.1811 0.0208 0.0093  -0.0138 0.0304  106 GLN L CG  
2413 C  CD  . GLN B 91  ? 0.1649 0.2006 0.0560 -0.0051 -0.0071 0.0293  106 GLN L CD  
2414 O  OE1 . GLN B 91  ? 0.2017 0.2013 0.0436 -0.0085 -0.0171 0.0273  106 GLN L OE1 
2415 N  NE2 . GLN B 91  ? 0.1806 0.2507 0.0716 0.0144  0.0053  0.0560  106 GLN L NE2 
2416 N  N   . TYR B 92  ? 0.1645 0.1441 0.0139 0.0218  -0.0075 -0.0323 107 TYR L N   
2417 C  CA  . TYR B 92  ? 0.1658 0.1702 0.0149 0.0034  -0.0138 -0.0212 107 TYR L CA  
2418 C  C   . TYR B 92  ? 0.1580 0.1914 0.0556 -0.0012 -0.0252 -0.0368 107 TYR L C   
2419 O  O   . TYR B 92  ? 0.1966 0.2475 0.0749 -0.0048 -0.0182 -0.0833 107 TYR L O   
2420 C  CB  . TYR B 92  ? 0.1629 0.1735 0.0077 0.0077  -0.0142 -0.0044 107 TYR L CB  
2421 C  CG  . TYR B 92  ? 0.1524 0.1641 0.0234 0.0057  -0.0138 -0.0112 107 TYR L CG  
2422 C  CD1 . TYR B 92  ? 0.1600 0.1666 0.0094 -0.0071 -0.0089 -0.0174 107 TYR L CD1 
2423 C  CD2 . TYR B 92  ? 0.1565 0.1936 0.0128 0.0079  -0.0213 -0.0189 107 TYR L CD2 
2424 C  CE1 . TYR B 92  ? 0.1658 0.1770 0.0108 0.0002  -0.0159 -0.0222 107 TYR L CE1 
2425 C  CE2 . TYR B 92  ? 0.1536 0.1845 0.0112 -0.0002 -0.0176 -0.0224 107 TYR L CE2 
2426 C  CZ  . TYR B 92  ? 0.1400 0.1754 0.0166 0.0004  -0.0130 -0.0217 107 TYR L CZ  
2427 O  OH  . TYR B 92  ? 0.1412 0.2063 0.0400 0.0066  -0.0048 -0.0165 107 TYR L OH  
2428 N  N   . ASP B 93  ? 0.1762 0.1988 0.0901 -0.0204 -0.0217 -0.0357 108 ASP L N   
2429 C  CA  . ASP B 93  ? 0.2115 0.2316 0.2061 -0.0263 -0.0374 -0.0445 108 ASP L CA  
2430 C  C   . ASP B 93  ? 0.2246 0.2272 0.2158 -0.0231 -0.0399 -0.0213 108 ASP L C   
2431 O  O   . ASP B 93  ? 0.2639 0.3714 0.2557 -0.0118 -0.0948 -0.0916 108 ASP L O   
2432 C  CB  . ASP B 93  ? 0.2902 0.2580 0.2896 -0.0066 -0.0230 -0.0111 108 ASP L CB  
2433 C  CG  . ASP B 93  ? 0.4661 0.3409 0.4364 -0.0469 -0.0009 -0.0255 108 ASP L CG  
2434 O  OD1 . ASP B 93  ? 0.6098 0.3979 0.3111 -0.0630 -0.1327 -0.1113 108 ASP L OD1 
2435 O  OD2 . ASP B 93  ? 0.5882 0.5098 0.6565 -0.1243 0.0447  0.0469  108 ASP L OD2 
2436 N  N   . SER B 94  ? 0.2306 0.2005 0.2527 -0.0036 -0.0319 0.0156  109 SER L N   
2437 C  CA  . SER B 94  ? 0.2461 0.2298 0.2748 -0.0047 -0.0513 0.0294  109 SER L CA  
2438 C  C   . SER B 94  ? 0.2029 0.2123 0.2144 0.0043  -0.0853 0.0262  109 SER L C   
2439 O  O   . SER B 94  ? 0.2504 0.2324 0.2445 0.0090  -0.1434 0.0405  109 SER L O   
2440 C  CB  . SER B 94  ? 0.3476 0.2870 0.3648 -0.0030 -0.0173 0.0649  109 SER L CB  
2441 O  OG  . SER B 94  ? 0.3820 0.3652 0.3210 -0.0083 0.0192  0.0687  109 SER L OG  
2442 N  N   . ALA B 95  ? 0.2022 0.2238 0.1632 -0.0178 -0.0809 0.0238  114 ALA L N   
2443 C  CA  . ALA B 95  ? 0.1832 0.2010 0.1418 -0.0134 -0.0599 0.0331  114 ALA L CA  
2444 C  C   . ALA B 95  ? 0.1723 0.2044 0.1449 -0.0180 -0.0638 0.0375  114 ALA L C   
2445 O  O   . ALA B 95  ? 0.1870 0.2392 0.2126 -0.0474 -0.0725 0.0641  114 ALA L O   
2446 C  CB  . ALA B 95  ? 0.2173 0.2280 0.1283 -0.0360 -0.0620 0.0212  114 ALA L CB  
2447 N  N   . PRO B 96  ? 0.1742 0.2280 0.1095 0.0068  -0.0445 0.0228  115 PRO L N   
2448 C  CA  . PRO B 96  ? 0.1748 0.2199 0.0523 0.0081  -0.0256 0.0339  115 PRO L CA  
2449 C  C   . PRO B 96  ? 0.1540 0.1809 0.0508 -0.0047 -0.0242 0.0184  115 PRO L C   
2450 O  O   . PRO B 96  ? 0.1866 0.1930 0.0573 -0.0099 -0.0363 0.0292  115 PRO L O   
2451 C  CB  . PRO B 96  ? 0.1876 0.2369 0.0813 0.0183  -0.0309 0.0321  115 PRO L CB  
2452 C  CG  . PRO B 96  ? 0.2098 0.2671 0.1144 0.0156  -0.0115 0.0276  115 PRO L CG  
2453 C  CD  . PRO B 96  ? 0.1919 0.2793 0.1292 0.0150  -0.0227 0.0418  115 PRO L CD  
2454 N  N   . ASP B 97  ? 0.1661 0.1672 0.0370 0.0082  -0.0146 0.0124  116 ASP L N   
2455 C  CA  . ASP B 97  ? 0.1608 0.1495 0.0269 -0.0024 -0.0181 -0.0016 116 ASP L CA  
2456 C  C   . ASP B 97  ? 0.1610 0.1438 0.0218 -0.0087 -0.0165 0.0068  116 ASP L C   
2457 O  O   . ASP B 97  ? 0.1510 0.1470 0.0160 0.0000  -0.0158 0.0007  116 ASP L O   
2458 C  CB  A ASP B 97  ? 0.1650 0.1453 0.0145 -0.0072 -0.0165 -0.0033 116 ASP L CB  
2459 C  CB  B ASP B 97  ? 0.1729 0.1668 0.0425 0.0031  -0.0124 -0.0027 116 ASP L CB  
2460 C  CG  A ASP B 97  ? 0.1715 0.1469 0.0065 -0.0069 0.0004  -0.0058 116 ASP L CG  
2461 C  CG  B ASP B 97  ? 0.2105 0.1832 0.0961 0.0001  -0.0250 -0.0178 116 ASP L CG  
2462 O  OD1 A ASP B 97  ? 0.1652 0.1665 0.0101 -0.0144 -0.0102 -0.0182 116 ASP L OD1 
2463 O  OD1 B ASP B 97  ? 0.2545 0.2554 0.1557 0.0068  -0.0385 -0.0116 116 ASP L OD1 
2464 O  OD2 A ASP B 97  ? 0.2056 0.1662 0.0064 -0.0312 -0.0039 0.0035  116 ASP L OD2 
2465 O  OD2 B ASP B 97  ? 0.2555 0.2397 0.1626 0.0318  -0.0462 -0.0631 116 ASP L OD2 
2466 N  N   . THR B 98  ? 0.1718 0.1581 0.0281 -0.0119 -0.0017 0.0059  117 THR L N   
2467 C  CA  . THR B 98  ? 0.1565 0.1668 0.0465 -0.0083 -0.0094 -0.0086 117 THR L CA  
2468 C  C   . THR B 98  ? 0.1526 0.1560 0.0066 0.0056  -0.0043 0.0016  117 THR L C   
2469 O  O   . THR B 98  ? 0.1789 0.1410 0.0133 0.0035  -0.0129 -0.0134 117 THR L O   
2470 C  CB  . THR B 98  ? 0.1958 0.2281 0.0710 -0.0238 0.0059  -0.0142 117 THR L CB  
2471 O  OG1 . THR B 98  ? 0.2305 0.2732 0.0913 -0.0138 -0.0043 0.0164  117 THR L OG1 
2472 C  CG2 . THR B 98  ? 0.1918 0.2458 0.0776 -0.0270 0.0352  -0.0141 117 THR L CG2 
2473 N  N   . PHE B 99  ? 0.1355 0.1562 0.0286 0.0193  -0.0257 -0.0050 118 PHE L N   
2474 C  CA  . PHE B 99  ? 0.1389 0.1529 0.0103 0.0230  -0.0214 -0.0126 118 PHE L CA  
2475 C  C   . PHE B 99  ? 0.1455 0.1401 0.0083 0.0259  -0.0159 -0.0071 118 PHE L C   
2476 O  O   . PHE B 99  ? 0.1538 0.1737 0.0284 0.0214  -0.0212 -0.0115 118 PHE L O   
2477 C  CB  . PHE B 99  ? 0.1499 0.1567 0.0140 0.0185  -0.0282 -0.0217 118 PHE L CB  
2478 C  CG  . PHE B 99  ? 0.1583 0.1440 0.0143 0.0176  -0.0349 -0.0053 118 PHE L CG  
2479 C  CD1 . PHE B 99  ? 0.1716 0.1638 0.0165 0.0206  -0.0404 0.0020  118 PHE L CD1 
2480 C  CD2 . PHE B 99  ? 0.1611 0.1591 0.0128 0.0225  -0.0273 0.0120  118 PHE L CD2 
2481 C  CE1 . PHE B 99  ? 0.1811 0.1720 0.0191 0.0153  -0.0411 0.0188  118 PHE L CE1 
2482 C  CE2 . PHE B 99  ? 0.1693 0.1626 0.0135 0.0218  -0.0107 0.0118  118 PHE L CE2 
2483 C  CZ  . PHE B 99  ? 0.1916 0.1489 0.0097 0.0239  -0.0154 0.0152  118 PHE L CZ  
2484 N  N   . GLY B 100 ? 0.1538 0.1345 0.0117 0.0288  -0.0172 -0.0237 119 GLY L N   
2485 C  CA  . GLY B 100 ? 0.1472 0.1441 0.0129 0.0324  -0.0036 -0.0300 119 GLY L CA  
2486 C  C   . GLY B 100 ? 0.1687 0.1419 0.0078 0.0322  -0.0078 -0.0138 119 GLY L C   
2487 O  O   . GLY B 100 ? 0.1760 0.1234 0.0106 0.0094  -0.0262 -0.0068 119 GLY L O   
2488 N  N   . GLN B 101 ? 0.1675 0.1366 0.0100 0.0369  -0.0234 -0.0119 120 GLN L N   
2489 C  CA  . GLN B 101 ? 0.1843 0.1477 0.0110 0.0395  -0.0170 -0.0241 120 GLN L CA  
2490 C  C   . GLN B 101 ? 0.1810 0.1414 0.0094 0.0363  -0.0080 -0.0205 120 GLN L C   
2491 O  O   . GLN B 101 ? 0.2050 0.1470 0.0734 0.0352  -0.0049 -0.0379 120 GLN L O   
2492 C  CB  . GLN B 101 ? 0.2224 0.1745 0.0318 0.0363  0.0057  -0.0382 120 GLN L CB  
2493 C  CG  . GLN B 101 ? 0.2796 0.2000 0.0638 0.0561  -0.0105 -0.0425 120 GLN L CG  
2494 C  CD  . GLN B 101 ? 0.3176 0.2185 0.1113 0.0727  -0.0275 -0.0130 120 GLN L CD  
2495 O  OE1 . GLN B 101 ? 0.2592 0.1919 0.0202 0.0677  0.0158  0.0014  120 GLN L OE1 
2496 N  NE2 . GLN B 101 ? 0.3794 0.2805 0.1291 0.0816  -0.0535 -0.0450 120 GLN L NE2 
2497 N  N   . GLY B 102 ? 0.1719 0.1412 0.0126 0.0287  -0.0092 -0.0290 121 GLY L N   
2498 C  CA  . GLY B 102 ? 0.1618 0.1507 0.0136 0.0273  -0.0206 -0.0289 121 GLY L CA  
2499 C  C   . GLY B 102 ? 0.1735 0.1716 0.0157 0.0269  -0.0153 -0.0382 121 GLY L C   
2500 O  O   . GLY B 102 ? 0.1600 0.2067 0.0208 0.0293  -0.0026 -0.0501 121 GLY L O   
2501 N  N   . THR B 103 ? 0.1631 0.1674 0.0197 0.0178  -0.0263 -0.0407 122 THR L N   
2502 C  CA  . THR B 103 ? 0.1685 0.1538 0.0145 0.0157  -0.0175 -0.0320 122 THR L CA  
2503 C  C   . THR B 103 ? 0.1619 0.1417 0.0100 0.0172  -0.0168 -0.0175 122 THR L C   
2504 O  O   . THR B 103 ? 0.1586 0.1458 0.0102 0.0198  -0.0096 -0.0223 122 THR L O   
2505 C  CB  . THR B 103 ? 0.1844 0.1539 0.0133 0.0111  -0.0045 -0.0321 122 THR L CB  
2506 O  OG1 . THR B 103 ? 0.1971 0.1622 0.0110 -0.0129 -0.0111 -0.0244 122 THR L OG1 
2507 C  CG2 . THR B 103 ? 0.1926 0.1478 0.0132 0.0138  -0.0131 -0.0299 122 THR L CG2 
2508 N  N   . ARG B 104 ? 0.1697 0.1366 0.0073 0.0180  -0.0038 -0.0111 123 ARG L N   
2509 C  CA  . ARG B 104 ? 0.1764 0.1417 0.0094 0.0158  -0.0144 -0.0174 123 ARG L CA  
2510 C  C   . ARG B 104 ? 0.1671 0.1541 0.0067 0.0100  -0.0071 -0.0051 123 ARG L C   
2511 O  O   . ARG B 104 ? 0.1815 0.2193 0.0072 0.0244  -0.0109 0.0058  123 ARG L O   
2512 C  CB  . ARG B 104 ? 0.1965 0.1457 0.0370 0.0108  -0.0504 -0.0445 123 ARG L CB  
2513 C  CG  . ARG B 104 ? 0.2432 0.1751 0.1262 0.0024  -0.0438 -0.0564 123 ARG L CG  
2514 C  CD  . ARG B 104 ? 0.3416 0.2028 0.2051 0.0283  -0.0209 -0.0746 123 ARG L CD  
2515 N  NE  . ARG B 104 ? 0.4010 0.3020 0.2909 0.0211  -0.0620 -0.0518 123 ARG L NE  
2516 C  CZ  . ARG B 104 ? 0.4384 0.3532 0.3353 0.0283  -0.0576 -0.0460 123 ARG L CZ  
2517 N  NH1 . ARG B 104 ? 0.4854 0.3217 0.2922 0.0086  -0.0255 -0.0758 123 ARG L NH1 
2518 N  NH2 . ARG B 104 ? 0.4134 0.4249 0.4657 0.0570  -0.0450 -0.0536 123 ARG L NH2 
2519 N  N   . LEU B 105 ? 0.1545 0.1327 0.0066 0.0068  -0.0049 -0.0047 124 LEU L N   
2520 C  CA  . LEU B 105 ? 0.1667 0.1273 0.0065 0.0083  -0.0023 0.0046  124 LEU L CA  
2521 C  C   . LEU B 105 ? 0.1614 0.1287 0.0082 -0.0001 -0.0156 0.0062  124 LEU L C   
2522 O  O   . LEU B 105 ? 0.1850 0.1282 0.0085 -0.0077 -0.0128 0.0128  124 LEU L O   
2523 C  CB  . LEU B 105 ? 0.1685 0.1325 0.0063 0.0108  0.0023  0.0012  124 LEU L CB  
2524 C  CG  . LEU B 105 ? 0.1805 0.1493 0.0143 0.0189  -0.0043 0.0051  124 LEU L CG  
2525 C  CD1 . LEU B 105 ? 0.2053 0.1737 0.0225 0.0135  0.0076  0.0176  124 LEU L CD1 
2526 C  CD2 . LEU B 105 ? 0.1940 0.1593 0.0344 0.0231  0.0078  0.0011  124 LEU L CD2 
2527 N  N   . GLU B 106 ? 0.1779 0.1470 0.0096 0.0066  -0.0232 -0.0051 125 GLU L N   
2528 C  CA  . GLU B 106 ? 0.2099 0.1428 0.0150 0.0127  -0.0323 0.0086  125 GLU L CA  
2529 C  C   . GLU B 106 ? 0.1949 0.1312 0.0302 -0.0120 -0.0390 -0.0169 125 GLU L C   
2530 O  O   . GLU B 106 ? 0.1886 0.1316 0.0382 -0.0033 -0.0343 -0.0063 125 GLU L O   
2531 C  CB  . GLU B 106 ? 0.2469 0.1606 0.0896 0.0186  -0.0277 -0.0332 125 GLU L CB  
2532 C  CG  . GLU B 106 ? 0.2835 0.2274 0.1405 0.0247  -0.0026 -0.0302 125 GLU L CG  
2533 C  CD  . GLU B 106 ? 0.3403 0.3057 0.2443 0.0802  0.0358  -0.0500 125 GLU L CD  
2534 O  OE1 . GLU B 106 ? 0.4744 0.4959 0.3679 0.1050  -0.0009 -0.2019 125 GLU L OE1 
2535 O  OE2 . GLU B 106 ? 0.4222 0.3401 0.4100 0.1315  0.0144  -0.0561 125 GLU L OE2 
2536 N  N   . ILE B 107 ? 0.1957 0.1367 0.0607 -0.0271 -0.0523 0.0158  126 ILE L N   
2537 C  CA  . ILE B 107 ? 0.2071 0.1390 0.0822 -0.0155 -0.0632 0.0118  126 ILE L CA  
2538 C  C   . ILE B 107 ? 0.2083 0.1270 0.0812 -0.0308 -0.0637 0.0203  126 ILE L C   
2539 O  O   . ILE B 107 ? 0.2414 0.1323 0.1045 -0.0403 -0.1043 0.0326  126 ILE L O   
2540 C  CB  . ILE B 107 ? 0.2314 0.1702 0.0705 -0.0134 -0.0508 0.0268  126 ILE L CB  
2541 C  CG1 . ILE B 107 ? 0.2664 0.2556 0.0496 -0.0245 -0.0402 0.0168  126 ILE L CG1 
2542 C  CG2 . ILE B 107 ? 0.2445 0.2172 0.0636 -0.0019 -0.0352 0.0382  126 ILE L CG2 
2543 C  CD1 . ILE B 107 ? 0.2979 0.2680 0.0258 -0.0550 -0.0351 -0.0235 126 ILE L CD1 
2544 N  N   . LYS B 108 ? 0.2107 0.1126 0.0581 -0.0385 -0.0655 0.0058  127 LYS L N   
2545 C  CA  . LYS B 108 ? 0.1981 0.1104 0.0589 -0.0162 -0.0683 -0.0029 127 LYS L CA  
2546 C  C   . LYS B 108 ? 0.1938 0.1032 0.0699 -0.0094 -0.0451 -0.0194 127 LYS L C   
2547 O  O   . LYS B 108 ? 0.2036 0.1181 0.0999 -0.0158 -0.0410 -0.0466 127 LYS L O   
2548 C  CB  . LYS B 108 ? 0.2088 0.1440 0.0896 -0.0119 -0.0629 0.0347  127 LYS L CB  
2549 C  CG  . LYS B 108 ? 0.2208 0.1803 0.0746 -0.0072 -0.0819 0.0171  127 LYS L CG  
2550 C  CD  . LYS B 108 ? 0.2710 0.2065 0.0753 -0.0075 -0.0534 0.0263  127 LYS L CD  
2551 C  CE  . LYS B 108 ? 0.2863 0.2339 0.0670 0.0039  -0.0442 0.0023  127 LYS L CE  
2552 N  NZ  . LYS B 108 ? 0.2762 0.2740 0.0459 0.0211  -0.0187 -0.0114 127 LYS L NZ  
2553 N  N   . ARG B 109 ? 0.1937 0.1203 0.0932 -0.0184 -0.0392 -0.0333 128 ARG L N   
2554 C  CA  . ARG B 109 ? 0.1872 0.1227 0.0895 -0.0123 -0.0432 -0.0123 128 ARG L CA  
2555 C  C   . ARG B 109 ? 0.1781 0.1299 0.1023 -0.0176 -0.0436 -0.0148 128 ARG L C   
2556 O  O   . ARG B 109 ? 0.1853 0.1606 0.0910 -0.0344 -0.0410 -0.0151 128 ARG L O   
2557 C  CB  . ARG B 109 ? 0.2326 0.1468 0.0588 -0.0093 -0.0291 -0.0271 128 ARG L CB  
2558 C  CG  . ARG B 109 ? 0.2746 0.1449 0.0728 -0.0152 -0.0256 -0.0082 128 ARG L CG  
2559 C  CD  . ARG B 109 ? 0.2943 0.1612 0.0595 -0.0119 -0.0063 -0.0142 128 ARG L CD  
2560 N  NE  . ARG B 109 ? 0.3173 0.1748 0.0526 -0.0293 -0.0104 -0.0278 128 ARG L NE  
2561 C  CZ  . ARG B 109 ? 0.2730 0.1740 0.0758 0.0275  -0.0378 -0.0250 128 ARG L CZ  
2562 N  NH1 . ARG B 109 ? 0.2795 0.2125 0.0842 0.0428  -0.0152 -0.0383 128 ARG L NH1 
2563 N  NH2 . ARG B 109 ? 0.3668 0.1868 0.1107 -0.0068 -0.0712 -0.0240 128 ARG L NH2 
2564 N  N   . THR B 110 ? 0.1930 0.1447 0.0895 -0.0256 -0.0552 -0.0234 129 THR L N   
2565 C  CA  . THR B 110 ? 0.1885 0.1449 0.0708 -0.0304 -0.0575 -0.0028 129 THR L CA  
2566 C  C   . THR B 110 ? 0.1895 0.1382 0.0758 -0.0248 -0.0581 -0.0060 129 THR L C   
2567 O  O   . THR B 110 ? 0.2266 0.1590 0.0652 -0.0316 -0.0489 0.0018  129 THR L O   
2568 C  CB  . THR B 110 ? 0.1956 0.1721 0.1172 -0.0352 -0.0728 0.0024  129 THR L CB  
2569 O  OG1 . THR B 110 ? 0.2001 0.1935 0.1092 -0.0449 -0.0469 -0.0257 129 THR L OG1 
2570 C  CG2 . THR B 110 ? 0.1964 0.1824 0.1238 -0.0204 -0.0602 -0.0093 129 THR L CG2 
2571 N  N   . VAL B 111 ? 0.1881 0.1272 0.0559 -0.0258 -0.0609 0.0054  130 VAL L N   
2572 C  CA  . VAL B 111 ? 0.1769 0.1478 0.0520 -0.0285 -0.0508 -0.0100 130 VAL L CA  
2573 C  C   . VAL B 111 ? 0.1540 0.1470 0.0789 -0.0130 -0.0344 0.0036  130 VAL L C   
2574 O  O   . VAL B 111 ? 0.1673 0.1619 0.1519 -0.0277 -0.0375 0.0204  130 VAL L O   
2575 C  CB  A VAL B 111 ? 0.1720 0.1608 0.0498 -0.0401 -0.0516 -0.0162 130 VAL L CB  
2576 C  CB  B VAL B 111 ? 0.1970 0.1606 0.0512 -0.0256 -0.0531 -0.0136 130 VAL L CB  
2577 C  CG1 A VAL B 111 ? 0.1759 0.1784 0.0470 -0.0329 -0.0496 -0.0183 130 VAL L CG1 
2578 C  CG1 B VAL B 111 ? 0.1957 0.1688 0.0890 -0.0203 -0.0256 -0.0062 130 VAL L CG1 
2579 C  CG2 A VAL B 111 ? 0.1533 0.1659 0.0557 -0.0454 -0.0367 -0.0118 130 VAL L CG2 
2580 C  CG2 B VAL B 111 ? 0.2136 0.1703 0.0346 -0.0122 -0.0540 -0.0067 130 VAL L CG2 
2581 N  N   . ALA B 112 ? 0.1420 0.1395 0.0838 -0.0238 -0.0399 0.0083  131 ALA L N   
2582 C  CA  . ALA B 112 ? 0.1487 0.1326 0.0823 -0.0266 -0.0298 0.0048  131 ALA L CA  
2583 C  C   . ALA B 112 ? 0.1399 0.1417 0.0714 -0.0213 -0.0290 0.0058  131 ALA L C   
2584 O  O   . ALA B 112 ? 0.1423 0.1519 0.0845 -0.0327 -0.0417 -0.0039 131 ALA L O   
2585 C  CB  . ALA B 112 ? 0.1668 0.1419 0.1058 -0.0295 -0.0057 0.0013  131 ALA L CB  
2586 N  N   . ALA B 113 ? 0.1463 0.1394 0.0704 -0.0210 -0.0409 0.0053  132 ALA L N   
2587 C  CA  . ALA B 113 ? 0.1446 0.1492 0.0527 -0.0129 -0.0420 -0.0120 132 ALA L CA  
2588 C  C   . ALA B 113 ? 0.1442 0.1326 0.0558 -0.0107 -0.0286 -0.0121 132 ALA L C   
2589 O  O   . ALA B 113 ? 0.1652 0.1616 0.0798 -0.0127 -0.0094 0.0103  132 ALA L O   
2590 C  CB  . ALA B 113 ? 0.1609 0.1503 0.0808 -0.0134 -0.0536 -0.0212 132 ALA L CB  
2591 N  N   . PRO B 114 ? 0.1411 0.1324 0.0437 -0.0099 -0.0098 -0.0050 133 PRO L N   
2592 C  CA  . PRO B 114 ? 0.1668 0.1395 0.0485 -0.0141 -0.0306 -0.0075 133 PRO L CA  
2593 C  C   . PRO B 114 ? 0.1654 0.1424 0.0784 -0.0209 -0.0103 -0.0118 133 PRO L C   
2594 O  O   . PRO B 114 ? 0.2444 0.1484 0.1009 -0.0440 -0.0490 -0.0099 133 PRO L O   
2595 C  CB  . PRO B 114 ? 0.1699 0.1553 0.0596 -0.0062 -0.0385 -0.0178 133 PRO L CB  
2596 C  CG  . PRO B 114 ? 0.1799 0.1698 0.0667 0.0098  -0.0189 -0.0278 133 PRO L CG  
2597 C  CD  . PRO B 114 ? 0.1610 0.1566 0.0398 0.0062  -0.0124 -0.0319 133 PRO L CD  
2598 N  N   . SER B 115 ? 0.1750 0.1333 0.0924 -0.0251 0.0043  -0.0084 134 SER L N   
2599 C  CA  . SER B 115 ? 0.1867 0.1360 0.0972 -0.0249 -0.0065 -0.0096 134 SER L CA  
2600 C  C   . SER B 115 ? 0.1924 0.1132 0.0923 -0.0309 -0.0274 -0.0113 134 SER L C   
2601 O  O   . SER B 115 ? 0.2231 0.1493 0.1575 -0.0218 -0.0698 -0.0354 134 SER L O   
2602 C  CB  . SER B 115 ? 0.1781 0.1523 0.1414 -0.0235 0.0229  -0.0005 134 SER L CB  
2603 O  OG  . SER B 115 ? 0.2078 0.1832 0.1608 -0.0230 -0.0041 -0.0080 134 SER L OG  
2604 N  N   . VAL B 116 ? 0.1831 0.1080 0.0555 -0.0279 -0.0287 -0.0039 135 VAL L N   
2605 C  CA  . VAL B 116 ? 0.1943 0.1219 0.0462 -0.0179 -0.0251 -0.0079 135 VAL L CA  
2606 C  C   . VAL B 116 ? 0.2132 0.1347 0.0502 -0.0365 -0.0301 -0.0073 135 VAL L C   
2607 O  O   . VAL B 116 ? 0.2212 0.1468 0.0978 -0.0317 -0.0517 0.0076  135 VAL L O   
2608 C  CB  . VAL B 116 ? 0.1958 0.1463 0.0509 -0.0041 -0.0227 -0.0149 135 VAL L CB  
2609 C  CG1 . VAL B 116 ? 0.1999 0.1559 0.0803 -0.0046 -0.0083 -0.0122 135 VAL L CG1 
2610 C  CG2 . VAL B 116 ? 0.1930 0.1533 0.0512 0.0091  -0.0199 -0.0115 135 VAL L CG2 
2611 N  N   . PHE B 117 ? 0.2110 0.1349 0.0723 -0.0278 -0.0358 0.0079  136 PHE L N   
2612 C  CA  . PHE B 117 ? 0.2361 0.1424 0.0842 -0.0160 -0.0295 0.0159  136 PHE L CA  
2613 C  C   . PHE B 117 ? 0.2341 0.1382 0.0737 -0.0137 -0.0399 0.0056  136 PHE L C   
2614 O  O   . PHE B 117 ? 0.2253 0.1460 0.1486 -0.0090 -0.0043 0.0189  136 PHE L O   
2615 C  CB  . PHE B 117 ? 0.2416 0.1565 0.0705 -0.0130 -0.0299 0.0300  136 PHE L CB  
2616 C  CG  . PHE B 117 ? 0.2593 0.1789 0.1140 -0.0072 -0.0372 0.0299  136 PHE L CG  
2617 C  CD1 . PHE B 117 ? 0.2640 0.1721 0.1155 0.0047  -0.0416 0.0201  136 PHE L CD1 
2618 C  CD2 . PHE B 117 ? 0.2628 0.1843 0.2567 -0.0093 -0.0331 0.0140  136 PHE L CD2 
2619 C  CE1 . PHE B 117 ? 0.2683 0.2167 0.0962 0.0136  -0.0241 0.0210  136 PHE L CE1 
2620 C  CE2 . PHE B 117 ? 0.2499 0.2129 0.2812 0.0028  -0.0181 0.0156  136 PHE L CE2 
2621 C  CZ  . PHE B 117 ? 0.2509 0.2015 0.1999 0.0187  -0.0063 -0.0065 136 PHE L CZ  
2622 N  N   . ILE B 118 ? 0.2429 0.1506 0.1153 -0.0295 -0.0504 0.0098  137 ILE L N   
2623 C  CA  . ILE B 118 ? 0.2255 0.1449 0.1177 -0.0175 -0.0364 0.0093  137 ILE L CA  
2624 C  C   . ILE B 118 ? 0.2258 0.1644 0.1304 -0.0183 -0.0317 0.0238  137 ILE L C   
2625 O  O   . ILE B 118 ? 0.2301 0.1865 0.1383 -0.0180 -0.0582 0.0370  137 ILE L O   
2626 C  CB  . ILE B 118 ? 0.2490 0.1528 0.1326 -0.0067 -0.0244 -0.0005 137 ILE L CB  
2627 C  CG1 . ILE B 118 ? 0.2526 0.1735 0.1377 -0.0115 -0.0202 -0.0197 137 ILE L CG1 
2628 C  CG2 . ILE B 118 ? 0.2742 0.1589 0.1469 -0.0030 -0.0378 -0.0119 137 ILE L CG2 
2629 C  CD1 . ILE B 118 ? 0.2531 0.1951 0.1280 -0.0075 0.0054  0.0090  137 ILE L CD1 
2630 N  N   . PHE B 119 ? 0.2240 0.1639 0.1208 -0.0109 -0.0350 0.0353  138 PHE L N   
2631 C  CA  . PHE B 119 ? 0.2600 0.1819 0.1489 -0.0185 -0.0538 0.0606  138 PHE L CA  
2632 C  C   . PHE B 119 ? 0.2879 0.1714 0.1458 -0.0252 -0.0588 0.0399  138 PHE L C   
2633 O  O   . PHE B 119 ? 0.2820 0.1830 0.1629 -0.0137 -0.0642 0.0338  138 PHE L O   
2634 C  CB  . PHE B 119 ? 0.2602 0.2121 0.1381 -0.0250 -0.0527 0.0476  138 PHE L CB  
2635 C  CG  . PHE B 119 ? 0.2353 0.2856 0.1056 -0.0162 -0.0360 -0.0005 138 PHE L CG  
2636 C  CD1 . PHE B 119 ? 0.2689 0.3266 0.1394 -0.0082 -0.0204 -0.0112 138 PHE L CD1 
2637 C  CD2 . PHE B 119 ? 0.2484 0.2819 0.1276 0.0205  -0.0190 0.0189  138 PHE L CD2 
2638 C  CE1 . PHE B 119 ? 0.2831 0.3848 0.1808 0.0287  -0.0303 -0.0301 138 PHE L CE1 
2639 C  CE2 . PHE B 119 ? 0.2868 0.3469 0.1612 0.0479  -0.0291 -0.0108 138 PHE L CE2 
2640 C  CZ  . PHE B 119 ? 0.2859 0.3872 0.1353 0.0336  -0.0148 -0.0408 138 PHE L CZ  
2641 N  N   . PRO B 120 ? 0.2997 0.1671 0.2221 -0.0249 -0.0963 0.0489  139 PRO L N   
2642 C  CA  . PRO B 120 ? 0.3120 0.1925 0.2086 -0.0118 -0.1079 0.0360  139 PRO L CA  
2643 C  C   . PRO B 120 ? 0.3110 0.1687 0.1880 0.0070  -0.0964 0.0106  139 PRO L C   
2644 O  O   . PRO B 120 ? 0.3030 0.1817 0.1974 -0.0018 -0.0607 0.0267  139 PRO L O   
2645 C  CB  . PRO B 120 ? 0.3699 0.1786 0.2727 -0.0183 -0.1059 0.0580  139 PRO L CB  
2646 C  CG  . PRO B 120 ? 0.3766 0.2327 0.3259 -0.0283 -0.0884 0.0612  139 PRO L CG  
2647 C  CD  . PRO B 120 ? 0.3316 0.1707 0.3116 -0.0329 -0.0771 0.1059  139 PRO L CD  
2648 N  N   . PRO B 121 ? 0.3234 0.1878 0.1806 0.0097  -0.1038 0.0022  140 PRO L N   
2649 C  CA  . PRO B 121 ? 0.3497 0.2109 0.1875 0.0068  -0.1113 0.0134  140 PRO L CA  
2650 C  C   . PRO B 121 ? 0.3727 0.1878 0.1818 0.0028  -0.1101 0.0284  140 PRO L C   
2651 O  O   . PRO B 121 ? 0.3863 0.2115 0.2179 -0.0354 -0.0933 0.0359  140 PRO L O   
2652 C  CB  . PRO B 121 ? 0.4058 0.2489 0.2180 0.0434  -0.0784 0.0087  140 PRO L CB  
2653 C  CG  . PRO B 121 ? 0.3807 0.2611 0.2692 0.0350  -0.0840 -0.0281 140 PRO L CG  
2654 C  CD  . PRO B 121 ? 0.3858 0.2272 0.1742 0.0176  -0.0821 0.0087  140 PRO L CD  
2655 N  N   . SER B 122 ? 0.3882 0.2278 0.1658 -0.0222 -0.0845 0.0280  141 SER L N   
2656 C  CA  . SER B 122 ? 0.3867 0.2217 0.1998 -0.0235 -0.0707 0.0328  141 SER L CA  
2657 C  C   . SER B 122 ? 0.4171 0.2207 0.1645 -0.0246 -0.0786 0.0306  141 SER L C   
2658 O  O   . SER B 122 ? 0.4312 0.2127 0.2423 -0.0061 -0.0679 0.0652  141 SER L O   
2659 C  CB  . SER B 122 ? 0.3977 0.2777 0.1975 -0.0114 -0.0689 0.0184  141 SER L CB  
2660 O  OG  . SER B 122 ? 0.4074 0.2508 0.2102 -0.0234 -0.0972 0.0357  141 SER L OG  
2661 N  N   . ASP B 123 ? 0.4599 0.2507 0.2789 -0.0674 -0.0998 0.0386  142 ASP L N   
2662 C  CA  . ASP B 123 ? 0.5701 0.2768 0.3068 -0.0783 -0.1140 0.0732  142 ASP L CA  
2663 C  C   . ASP B 123 ? 0.5939 0.2898 0.3193 -0.0849 -0.1119 0.1130  142 ASP L C   
2664 O  O   . ASP B 123 ? 0.6748 0.2679 0.3801 -0.0594 -0.1333 0.1035  142 ASP L O   
2665 C  CB  . ASP B 123 ? 0.6137 0.3366 0.2942 -0.1303 -0.1064 0.0776  142 ASP L CB  
2666 C  CG  . ASP B 123 ? 0.6148 0.3899 0.3672 -0.1432 -0.1430 0.0954  142 ASP L CG  
2667 O  OD1 . ASP B 123 ? 0.6172 0.3436 0.3611 -0.1261 -0.1008 0.0807  142 ASP L OD1 
2668 O  OD2 . ASP B 123 ? 0.6991 0.4810 0.5238 -0.2044 -0.1236 0.0817  142 ASP L OD2 
2669 N  N   . GLU B 124 ? 0.5845 0.2914 0.2558 -0.0733 -0.0704 0.1457  143 GLU L N   
2670 C  CA  . GLU B 124 ? 0.5366 0.3375 0.2666 -0.0875 -0.0918 0.1537  143 GLU L CA  
2671 C  C   . GLU B 124 ? 0.4675 0.3339 0.2094 -0.0434 -0.0995 0.1354  143 GLU L C   
2672 O  O   . GLU B 124 ? 0.5154 0.2992 0.2813 -0.0282 -0.1136 0.1261  143 GLU L O   
2673 C  CB  . GLU B 124 ? 0.5737 0.4036 0.2907 -0.0944 -0.0566 0.1302  143 GLU L CB  
2674 C  CG  . GLU B 124 ? 0.6279 0.5136 0.3154 -0.0623 -0.1017 0.1183  143 GLU L CG  
2675 C  CD  . GLU B 124 ? 0.6992 0.6221 0.2156 -0.0463 -0.1445 0.0487  143 GLU L CD  
2676 O  OE1 . GLU B 124 ? 0.7071 0.6600 0.2827 0.0148  -0.1124 0.1074  143 GLU L OE1 
2677 O  OE2 . GLU B 124 ? 0.8515 0.7822 0.3209 -0.1074 -0.2256 0.0257  143 GLU L OE2 
2678 N  N   . GLN B 125 ? 0.4529 0.2783 0.2041 -0.0359 -0.0905 0.0862  144 GLN L N   
2679 C  CA  . GLN B 125 ? 0.4045 0.2323 0.1749 -0.0170 -0.1026 0.0654  144 GLN L CA  
2680 C  C   . GLN B 125 ? 0.4447 0.2488 0.2385 0.0057  -0.0831 0.0516  144 GLN L C   
2681 O  O   . GLN B 125 ? 0.4350 0.2854 0.3126 0.0468  -0.0909 0.0571  144 GLN L O   
2682 C  CB  . GLN B 125 ? 0.4220 0.1997 0.1866 -0.0026 -0.0887 0.0454  144 GLN L CB  
2683 C  CG  . GLN B 125 ? 0.3831 0.1962 0.1794 0.0147  -0.0926 0.0137  144 GLN L CG  
2684 C  CD  . GLN B 125 ? 0.3604 0.1903 0.1896 0.0267  -0.0847 0.0189  144 GLN L CD  
2685 O  OE1 . GLN B 125 ? 0.3556 0.2244 0.1665 0.0119  -0.0882 0.0128  144 GLN L OE1 
2686 N  NE2 . GLN B 125 ? 0.3670 0.2173 0.2168 0.0259  -0.0818 0.0166  144 GLN L NE2 
2687 N  N   . LEU B 126 ? 0.5232 0.2201 0.2944 0.0369  -0.0948 0.0451  145 LEU L N   
2688 C  CA  . LEU B 126 ? 0.5587 0.2334 0.3247 0.0929  -0.0976 0.0568  145 LEU L CA  
2689 C  C   . LEU B 126 ? 0.6817 0.2589 0.3763 0.1502  -0.1362 0.0552  145 LEU L C   
2690 O  O   . LEU B 126 ? 0.7153 0.3721 0.4021 0.2132  -0.1525 0.0627  145 LEU L O   
2691 C  CB  . LEU B 126 ? 0.5767 0.2204 0.3705 0.0451  -0.0760 0.0391  145 LEU L CB  
2692 C  CG  . LEU B 126 ? 0.5265 0.2102 0.3866 0.0362  -0.0820 0.0107  145 LEU L CG  
2693 C  CD1 . LEU B 126 ? 0.5452 0.2503 0.4023 -0.0005 -0.0590 0.0158  145 LEU L CD1 
2694 C  CD2 . LEU B 126 ? 0.5045 0.2627 0.3853 0.0447  -0.0809 0.0129  145 LEU L CD2 
2695 N  N   . LYS B 127 ? 0.7441 0.3017 0.4002 0.1764  -0.1161 0.1664  146 LYS L N   
2696 C  CA  . LYS B 127 ? 0.7738 0.4129 0.3999 0.2078  -0.1502 0.1518  146 LYS L CA  
2697 C  C   . LYS B 127 ? 0.7403 0.4831 0.5344 0.2519  -0.1705 0.1040  146 LYS L C   
2698 O  O   . LYS B 127 ? 0.8134 0.5625 0.5219 0.3255  -0.1981 0.1311  146 LYS L O   
2699 C  CB  . LYS B 127 ? 0.8396 0.4354 0.4411 0.1895  -0.0763 0.1818  146 LYS L CB  
2700 C  CG  . LYS B 127 ? 0.8745 0.5198 0.4850 0.1703  -0.0314 0.2110  146 LYS L CG  
2701 C  CD  . LYS B 127 ? 0.9276 0.7060 0.5599 0.1283  -0.0010 0.1888  146 LYS L CD  
2702 C  CE  . LYS B 127 ? 0.9581 0.8242 0.6274 0.0894  0.0578  0.1961  146 LYS L CE  
2703 N  NZ  . LYS B 127 ? 1.0180 0.8868 0.5868 0.1135  0.0276  0.1711  146 LYS L NZ  
2704 N  N   . SER B 128 ? 0.6941 0.4612 0.5227 0.1914  -0.2317 0.0685  147 SER L N   
2705 C  CA  . SER B 128 ? 0.6286 0.5045 0.6226 0.1993  -0.1892 -0.0212 147 SER L CA  
2706 C  C   . SER B 128 ? 0.6471 0.4710 0.5441 0.2223  -0.2204 0.0035  147 SER L C   
2707 O  O   . SER B 128 ? 0.6130 0.5535 0.6033 0.2363  -0.2511 -0.0535 147 SER L O   
2708 C  CB  . SER B 128 ? 0.6395 0.5358 0.7681 0.1533  -0.2289 -0.0491 147 SER L CB  
2709 O  OG  . SER B 128 ? 0.6869 0.4673 0.9698 0.1811  -0.2052 -0.0937 147 SER L OG  
2710 N  N   . GLY B 129 ? 0.6527 0.3584 0.4879 0.2340  -0.1545 -0.0329 148 GLY L N   
2711 C  CA  . GLY B 129 ? 0.6320 0.3541 0.4389 0.2278  -0.1420 0.0342  148 GLY L CA  
2712 C  C   . GLY B 129 ? 0.5607 0.3606 0.3800 0.1684  -0.1267 0.0101  148 GLY L C   
2713 O  O   . GLY B 129 ? 0.5083 0.3563 0.3927 0.1893  -0.1383 -0.0292 148 GLY L O   
2714 N  N   . THR B 130 ? 0.5405 0.3009 0.3448 0.1482  -0.0979 0.0419  149 THR L N   
2715 C  CA  . THR B 130 ? 0.4396 0.3008 0.3082 0.1390  -0.1038 0.0023  149 THR L CA  
2716 C  C   . THR B 130 ? 0.4041 0.2793 0.2399 0.1168  -0.0614 0.0053  149 THR L C   
2717 O  O   . THR B 130 ? 0.4398 0.3202 0.2140 0.1287  -0.0413 0.0404  149 THR L O   
2718 C  CB  . THR B 130 ? 0.4275 0.3089 0.3508 0.1303  -0.1208 -0.0006 149 THR L CB  
2719 O  OG1 . THR B 130 ? 0.4700 0.3989 0.3642 0.1366  -0.1531 -0.0354 149 THR L OG1 
2720 C  CG2 . THR B 130 ? 0.4512 0.3133 0.3960 0.1154  -0.0963 -0.0023 149 THR L CG2 
2721 N  N   . ALA B 131 ? 0.4049 0.2782 0.2399 0.1091  -0.0681 -0.0251 150 ALA L N   
2722 C  CA  . ALA B 131 ? 0.3783 0.2272 0.2351 0.0702  -0.0552 -0.0104 150 ALA L CA  
2723 C  C   . ALA B 131 ? 0.3103 0.2147 0.2040 0.0850  -0.0381 -0.0022 150 ALA L C   
2724 O  O   . ALA B 131 ? 0.3822 0.2560 0.2440 0.0822  0.0199  0.0172  150 ALA L O   
2725 C  CB  . ALA B 131 ? 0.3584 0.2317 0.2445 0.0484  -0.0574 -0.0030 150 ALA L CB  
2726 N  N   . SER B 132 ? 0.2565 0.2066 0.1439 0.0577  -0.0346 -0.0058 151 SER L N   
2727 C  CA  . SER B 132 ? 0.2652 0.2036 0.1578 0.0314  -0.0254 0.0055  151 SER L CA  
2728 C  C   . SER B 132 ? 0.2703 0.1740 0.1401 0.0350  -0.0337 0.0101  151 SER L C   
2729 O  O   . SER B 132 ? 0.2788 0.2213 0.1452 0.0291  -0.0563 0.0214  151 SER L O   
2730 C  CB  . SER B 132 ? 0.2377 0.2063 0.1630 0.0321  -0.0370 0.0071  151 SER L CB  
2731 O  OG  . SER B 132 ? 0.2476 0.2614 0.1549 0.0259  -0.0559 -0.0081 151 SER L OG  
2732 N  N   . VAL B 133 ? 0.2797 0.1904 0.1464 0.0284  -0.0459 0.0121  152 VAL L N   
2733 C  CA  . VAL B 133 ? 0.2558 0.1760 0.1264 0.0231  -0.0370 -0.0093 152 VAL L CA  
2734 C  C   . VAL B 133 ? 0.2261 0.1722 0.1077 0.0184  -0.0407 -0.0017 152 VAL L C   
2735 O  O   . VAL B 133 ? 0.2586 0.1751 0.1225 0.0038  -0.0330 -0.0198 152 VAL L O   
2736 C  CB  . VAL B 133 ? 0.2724 0.1985 0.1524 0.0339  -0.0444 -0.0335 152 VAL L CB  
2737 C  CG1 . VAL B 133 ? 0.2986 0.2376 0.1528 0.0266  -0.0654 -0.0163 152 VAL L CG1 
2738 C  CG2 . VAL B 133 ? 0.3156 0.1996 0.1446 0.0365  -0.0341 -0.0383 152 VAL L CG2 
2739 N  N   . VAL B 134 ? 0.2183 0.1713 0.1119 -0.0074 -0.0296 0.0200  153 VAL L N   
2740 C  CA  . VAL B 134 ? 0.2125 0.1642 0.1015 0.0029  -0.0322 0.0178  153 VAL L CA  
2741 C  C   . VAL B 134 ? 0.2144 0.1480 0.0799 -0.0115 -0.0385 0.0063  153 VAL L C   
2742 O  O   . VAL B 134 ? 0.2264 0.1623 0.0982 -0.0116 -0.0344 0.0091  153 VAL L O   
2743 C  CB  . VAL B 134 ? 0.2249 0.1789 0.0965 -0.0061 -0.0306 0.0211  153 VAL L CB  
2744 C  CG1 . VAL B 134 ? 0.2381 0.1905 0.0949 -0.0100 -0.0221 -0.0036 153 VAL L CG1 
2745 C  CG2 . VAL B 134 ? 0.2476 0.2092 0.1236 0.0081  -0.0396 0.0305  153 VAL L CG2 
2746 N  N   . CYS B 135 ? 0.2116 0.1543 0.1172 0.0000  -0.0299 0.0153  154 CYS L N   
2747 C  CA  . CYS B 135 ? 0.2268 0.1675 0.1221 0.0081  -0.0193 0.0167  154 CYS L CA  
2748 C  C   . CYS B 135 ? 0.2012 0.1527 0.0876 -0.0024 -0.0323 0.0140  154 CYS L C   
2749 O  O   . CYS B 135 ? 0.2079 0.1688 0.1537 0.0035  -0.0437 0.0070  154 CYS L O   
2750 C  CB  . CYS B 135 ? 0.2519 0.1775 0.1226 0.0021  -0.0305 0.0139  154 CYS L CB  
2751 S  SG  . CYS B 135 ? 0.2840 0.2163 0.1461 0.0287  -0.0510 -0.0002 154 CYS L SG  
2752 N  N   . LEU B 136 ? 0.2030 0.1530 0.0867 -0.0146 -0.0256 0.0191  155 LEU L N   
2753 C  CA  . LEU B 136 ? 0.1955 0.1582 0.0766 -0.0200 -0.0251 0.0172  155 LEU L CA  
2754 C  C   . LEU B 136 ? 0.1754 0.1438 0.0698 -0.0124 -0.0254 0.0037  155 LEU L C   
2755 O  O   . LEU B 136 ? 0.1783 0.1501 0.0598 -0.0186 -0.0220 0.0153  155 LEU L O   
2756 C  CB  . LEU B 136 ? 0.2053 0.1795 0.0681 -0.0327 -0.0308 0.0036  155 LEU L CB  
2757 C  CG  . LEU B 136 ? 0.2112 0.2080 0.0736 -0.0248 -0.0274 -0.0009 155 LEU L CG  
2758 C  CD1 . LEU B 136 ? 0.2313 0.2037 0.1005 -0.0237 -0.0205 -0.0180 155 LEU L CD1 
2759 C  CD2 . LEU B 136 ? 0.2314 0.2457 0.1028 -0.0529 -0.0100 -0.0139 155 LEU L CD2 
2760 N  N   . LEU B 137 ? 0.1731 0.1462 0.0515 -0.0165 -0.0278 0.0018  156 LEU L N   
2761 C  CA  . LEU B 137 ? 0.1758 0.1286 0.0763 -0.0276 -0.0274 0.0085  156 LEU L CA  
2762 C  C   . LEU B 137 ? 0.1700 0.1242 0.0712 -0.0157 -0.0333 0.0143  156 LEU L C   
2763 O  O   . LEU B 137 ? 0.1972 0.1618 0.0611 -0.0255 -0.0465 -0.0038 156 LEU L O   
2764 C  CB  . LEU B 137 ? 0.1883 0.1433 0.0759 -0.0296 -0.0238 0.0120  156 LEU L CB  
2765 C  CG  . LEU B 137 ? 0.2078 0.1813 0.0800 -0.0120 -0.0194 -0.0005 156 LEU L CG  
2766 C  CD1 . LEU B 137 ? 0.2115 0.1971 0.0747 0.0018  -0.0060 0.0048  156 LEU L CD1 
2767 C  CD2 . LEU B 137 ? 0.2141 0.2188 0.0603 -0.0089 -0.0180 -0.0028 156 LEU L CD2 
2768 N  N   . ASN B 138 ? 0.1760 0.1487 0.0656 -0.0160 -0.0346 -0.0109 157 ASN L N   
2769 C  CA  . ASN B 138 ? 0.1841 0.1416 0.0819 -0.0240 -0.0217 -0.0241 157 ASN L CA  
2770 C  C   . ASN B 138 ? 0.1723 0.1464 0.0980 -0.0297 -0.0163 -0.0116 157 ASN L C   
2771 O  O   . ASN B 138 ? 0.1816 0.1585 0.1023 -0.0165 -0.0244 -0.0307 157 ASN L O   
2772 C  CB  . ASN B 138 ? 0.2127 0.1850 0.1074 -0.0222 0.0167  -0.0278 157 ASN L CB  
2773 C  CG  . ASN B 138 ? 0.2342 0.2488 0.1106 -0.0494 -0.0041 -0.0305 157 ASN L CG  
2774 O  OD1 . ASN B 138 ? 0.2570 0.2603 0.0996 -0.0750 0.0034  -0.0082 157 ASN L OD1 
2775 N  ND2 . ASN B 138 ? 0.2638 0.3733 0.1907 -0.0401 0.0121  -0.0757 157 ASN L ND2 
2776 N  N   . ASN B 139 ? 0.1752 0.1437 0.0794 -0.0320 -0.0253 -0.0048 158 ASN L N   
2777 C  CA  . ASN B 139 ? 0.2046 0.1460 0.1010 -0.0314 -0.0175 0.0008  158 ASN L CA  
2778 C  C   . ASN B 139 ? 0.1721 0.1292 0.0853 -0.0358 -0.0363 -0.0200 158 ASN L C   
2779 O  O   . ASN B 139 ? 0.1918 0.1992 0.1217 -0.0460 -0.0493 0.0024  158 ASN L O   
2780 C  CB  . ASN B 139 ? 0.2088 0.1552 0.1325 -0.0252 -0.0082 0.0024  158 ASN L CB  
2781 C  CG  . ASN B 139 ? 0.2445 0.2341 0.1527 -0.0271 0.0014  0.0104  158 ASN L CG  
2782 O  OD1 . ASN B 139 ? 0.2882 0.2464 0.1264 -0.0335 0.0215  0.0207  158 ASN L OD1 
2783 N  ND2 . ASN B 139 ? 0.2895 0.3498 0.2231 -0.0508 0.0284  0.0460  158 ASN L ND2 
2784 N  N   . PHE B 140 ? 0.1872 0.1348 0.0628 -0.0356 -0.0402 0.0168  159 PHE L N   
2785 C  CA  . PHE B 140 ? 0.1778 0.1254 0.0582 -0.0227 -0.0485 0.0140  159 PHE L CA  
2786 C  C   . PHE B 140 ? 0.1706 0.1317 0.0734 -0.0336 -0.0490 -0.0005 159 PHE L C   
2787 O  O   . PHE B 140 ? 0.1892 0.1287 0.0714 -0.0307 -0.0543 -0.0052 159 PHE L O   
2788 C  CB  . PHE B 140 ? 0.1927 0.1377 0.0767 -0.0218 -0.0324 0.0104  159 PHE L CB  
2789 C  CG  . PHE B 140 ? 0.1832 0.1261 0.0676 -0.0102 -0.0269 0.0073  159 PHE L CG  
2790 C  CD1 . PHE B 140 ? 0.2039 0.1555 0.0783 -0.0065 -0.0161 0.0215  159 PHE L CD1 
2791 C  CD2 . PHE B 140 ? 0.1931 0.1294 0.0611 -0.0125 -0.0266 0.0022  159 PHE L CD2 
2792 C  CE1 . PHE B 140 ? 0.2137 0.1628 0.0746 0.0038  -0.0111 0.0400  159 PHE L CE1 
2793 C  CE2 . PHE B 140 ? 0.1922 0.1420 0.0680 -0.0085 -0.0331 0.0227  159 PHE L CE2 
2794 C  CZ  . PHE B 140 ? 0.2001 0.1430 0.0751 -0.0054 -0.0387 0.0259  159 PHE L CZ  
2795 N  N   . TYR B 141 ? 0.1689 0.1509 0.0755 -0.0332 -0.0623 0.0011  160 TYR L N   
2796 C  CA  . TYR B 141 ? 0.1674 0.1540 0.0766 -0.0328 -0.0529 0.0055  160 TYR L CA  
2797 C  C   . TYR B 141 ? 0.1615 0.1569 0.0800 -0.0467 -0.0477 0.0163  160 TYR L C   
2798 O  O   . TYR B 141 ? 0.1509 0.1584 0.0840 -0.0377 -0.0448 -0.0041 160 TYR L O   
2799 C  CB  . TYR B 141 ? 0.1607 0.1542 0.0751 -0.0415 -0.0415 0.0017  160 TYR L CB  
2800 C  CG  . TYR B 141 ? 0.1733 0.1337 0.0698 -0.0363 -0.0379 0.0098  160 TYR L CG  
2801 C  CD1 . TYR B 141 ? 0.2110 0.1551 0.0876 -0.0192 -0.0300 0.0248  160 TYR L CD1 
2802 C  CD2 . TYR B 141 ? 0.1783 0.1484 0.0670 -0.0352 -0.0357 0.0116  160 TYR L CD2 
2803 C  CE1 . TYR B 141 ? 0.2088 0.1483 0.0886 -0.0141 -0.0117 0.0180  160 TYR L CE1 
2804 C  CE2 . TYR B 141 ? 0.1857 0.1432 0.1278 -0.0361 -0.0303 0.0038  160 TYR L CE2 
2805 C  CZ  . TYR B 141 ? 0.1976 0.1315 0.1373 -0.0347 -0.0038 0.0098  160 TYR L CZ  
2806 O  OH  . TYR B 141 ? 0.2198 0.1452 0.1826 -0.0391 0.0369  0.0135  160 TYR L OH  
2807 N  N   . PRO B 142 ? 0.1768 0.1791 0.0490 -0.0448 -0.0359 0.0000  161 PRO L N   
2808 C  CA  . PRO B 142 ? 0.1692 0.1715 0.0752 -0.0424 -0.0362 0.0003  161 PRO L CA  
2809 C  C   . PRO B 142 ? 0.1661 0.1777 0.0812 -0.0391 -0.0431 -0.0091 161 PRO L C   
2810 O  O   . PRO B 142 ? 0.1632 0.1725 0.0681 -0.0430 -0.0334 -0.0055 161 PRO L O   
2811 C  CB  . PRO B 142 ? 0.1940 0.2120 0.1090 -0.0491 -0.0332 0.0175  161 PRO L CB  
2812 C  CG  . PRO B 142 ? 0.2364 0.2683 0.0938 -0.0579 -0.0156 0.0207  161 PRO L CG  
2813 C  CD  . PRO B 142 ? 0.1988 0.2167 0.0446 -0.0515 -0.0328 -0.0037 161 PRO L CD  
2814 N  N   . ARG B 143 ? 0.1731 0.1893 0.1319 -0.0445 -0.0480 -0.0252 162 ARG L N   
2815 C  CA  . ARG B 143 ? 0.1904 0.2331 0.1680 -0.0168 -0.0661 -0.0177 162 ARG L CA  
2816 C  C   . ARG B 143 ? 0.1775 0.2439 0.2054 -0.0246 -0.0517 -0.0100 162 ARG L C   
2817 O  O   . ARG B 143 ? 0.1697 0.2592 0.1934 -0.0183 -0.0191 0.0086  162 ARG L O   
2818 C  CB  . ARG B 143 ? 0.2709 0.2635 0.2021 -0.0365 -0.1015 -0.0394 162 ARG L CB  
2819 C  CG  . ARG B 143 ? 0.2996 0.2889 0.2761 -0.0342 -0.1038 0.0120  162 ARG L CG  
2820 C  CD  . ARG B 143 ? 0.3161 0.3600 0.3626 -0.0504 -0.1078 0.0100  162 ARG L CD  
2821 N  NE  . ARG B 143 ? 0.4214 0.4095 0.4645 -0.0485 -0.0867 0.1136  162 ARG L NE  
2822 C  CZ  . ARG B 143 ? 0.3723 0.4831 0.4865 -0.0069 -0.1308 0.1663  162 ARG L CZ  
2823 N  NH1 . ARG B 143 ? 0.4320 0.5804 0.5125 -0.0015 -0.0706 0.1555  162 ARG L NH1 
2824 N  NH2 . ARG B 143 ? 0.5038 0.5118 0.5433 -0.0787 -0.1829 0.2451  162 ARG L NH2 
2825 N  N   . GLU B 144 ? 0.1915 0.2567 0.1887 -0.0349 -0.0408 -0.0099 163 GLU L N   
2826 C  CA  . GLU B 144 ? 0.2362 0.2697 0.2402 -0.0555 -0.0065 -0.0365 163 GLU L CA  
2827 C  C   . GLU B 144 ? 0.1790 0.2499 0.1567 -0.0381 0.0003  0.0055  163 GLU L C   
2828 O  O   . GLU B 144 ? 0.1868 0.2499 0.1397 -0.0453 -0.0020 0.0015  163 GLU L O   
2829 C  CB  . GLU B 144 ? 0.3002 0.3108 0.2525 -0.0672 0.0559  -0.0516 163 GLU L CB  
2830 C  CG  . GLU B 144 ? 0.3510 0.4190 0.4230 -0.1033 0.0568  -0.0531 163 GLU L CG  
2831 C  CD  . GLU B 144 ? 0.3798 0.4760 0.5526 -0.0608 0.0407  -0.0652 163 GLU L CD  
2832 O  OE1 . GLU B 144 ? 0.2974 0.4459 0.5001 -0.0701 0.1040  0.1261  163 GLU L OE1 
2833 O  OE2 . GLU B 144 ? 0.4555 0.5418 0.8135 -0.1964 0.0025  -0.0431 163 GLU L OE2 
2834 N  N   . ALA B 145 ? 0.1991 0.2545 0.2088 -0.0182 -0.0313 -0.0020 164 ALA L N   
2835 C  CA  . ALA B 145 ? 0.1861 0.2449 0.1639 -0.0046 -0.0328 0.0293  164 ALA L CA  
2836 C  C   . ALA B 145 ? 0.1728 0.2646 0.2256 -0.0019 -0.0469 0.0032  164 ALA L C   
2837 O  O   . ALA B 145 ? 0.2214 0.3208 0.2815 0.0183  -0.1119 -0.0439 164 ALA L O   
2838 C  CB  . ALA B 145 ? 0.2221 0.2721 0.2009 0.0012  -0.0186 0.0248  164 ALA L CB  
2839 N  N   . LYS B 146 ? 0.1372 0.2604 0.1867 0.0012  -0.0117 0.0084  165 LYS L N   
2840 C  CA  . LYS B 146 ? 0.1513 0.2955 0.2124 0.0087  -0.0078 0.0204  165 LYS L CA  
2841 C  C   . LYS B 146 ? 0.1419 0.2872 0.1676 0.0164  0.0026  -0.0043 165 LYS L C   
2842 O  O   . LYS B 146 ? 0.1636 0.2385 0.2041 -0.0196 -0.0347 -0.0033 165 LYS L O   
2843 C  CB  . LYS B 146 ? 0.1915 0.3587 0.2190 0.0143  0.0077  0.0460  165 LYS L CB  
2844 C  CG  . LYS B 146 ? 0.2772 0.4291 0.2665 0.0209  0.0555  0.0101  165 LYS L CG  
2845 C  CD  . LYS B 146 ? 0.3936 0.5338 0.3064 0.0027  0.1148  0.0049  165 LYS L CD  
2846 C  CE  . LYS B 146 ? 0.5387 0.6394 0.4145 0.0153  0.0939  -0.0063 165 LYS L CE  
2847 N  NZ  . LYS B 146 ? 0.7144 0.7625 0.4410 -0.0257 0.0897  -0.0346 165 LYS L NZ  
2848 N  N   . VAL B 147 ? 0.1274 0.2820 0.1704 0.0117  -0.0198 -0.0236 166 VAL L N   
2849 C  CA  . VAL B 147 ? 0.1503 0.3160 0.1363 0.0057  -0.0065 -0.0068 166 VAL L CA  
2850 C  C   . VAL B 147 ? 0.1729 0.3036 0.1645 0.0317  -0.0078 0.0154  166 VAL L C   
2851 O  O   . VAL B 147 ? 0.1796 0.3706 0.2642 0.0349  -0.0338 0.0115  166 VAL L O   
2852 C  CB  . VAL B 147 ? 0.2519 0.3792 0.1317 -0.0264 -0.0264 -0.0096 166 VAL L CB  
2853 C  CG1 . VAL B 147 ? 0.3361 0.4211 0.1071 -0.0424 -0.0205 0.0083  166 VAL L CG1 
2854 C  CG2 . VAL B 147 ? 0.2521 0.4636 0.1093 -0.0148 -0.0010 -0.0435 166 VAL L CG2 
2855 N  N   . GLN B 148 ? 0.2000 0.2840 0.1201 0.0494  0.0094  0.0250  167 GLN L N   
2856 C  CA  . GLN B 148 ? 0.2213 0.2950 0.1683 0.0745  0.0135  0.0328  167 GLN L CA  
2857 C  C   . GLN B 148 ? 0.2192 0.2738 0.1791 0.0731  0.0050  0.0038  167 GLN L C   
2858 O  O   . GLN B 148 ? 0.2083 0.2910 0.2740 0.0866  0.0149  0.0497  167 GLN L O   
2859 C  CB  . GLN B 148 ? 0.2976 0.3480 0.1844 0.0942  0.0284  0.0228  167 GLN L CB  
2860 C  CG  . GLN B 148 ? 0.3730 0.4172 0.2159 0.0892  0.0608  0.0624  167 GLN L CG  
2861 C  CD  . GLN B 148 ? 0.5296 0.5404 0.2339 0.1416  0.0687  0.0422  167 GLN L CD  
2862 O  OE1 . GLN B 148 ? 0.6193 0.5659 0.2179 0.2436  0.0873  0.0064  167 GLN L OE1 
2863 N  NE2 . GLN B 148 ? 0.5956 0.5813 0.2850 0.2278  0.0887  0.0447  167 GLN L NE2 
2864 N  N   . TRP B 149 ? 0.2081 0.2775 0.1529 0.0705  -0.0069 -0.0143 168 TRP L N   
2865 C  CA  . TRP B 149 ? 0.2560 0.2547 0.1299 0.0669  -0.0224 -0.0373 168 TRP L CA  
2866 C  C   . TRP B 149 ? 0.2770 0.2595 0.1282 0.0866  -0.0193 -0.0417 168 TRP L C   
2867 O  O   . TRP B 149 ? 0.2643 0.3367 0.1485 0.1042  -0.0177 -0.0390 168 TRP L O   
2868 C  CB  . TRP B 149 ? 0.2444 0.2610 0.1368 0.0768  -0.0251 -0.0118 168 TRP L CB  
2869 C  CG  . TRP B 149 ? 0.2266 0.2601 0.1481 0.0633  -0.0134 -0.0130 168 TRP L CG  
2870 C  CD1 . TRP B 149 ? 0.2519 0.2655 0.1036 0.0672  -0.0139 -0.0146 168 TRP L CD1 
2871 C  CD2 . TRP B 149 ? 0.2485 0.2331 0.1218 0.0402  -0.0182 -0.0062 168 TRP L CD2 
2872 N  NE1 . TRP B 149 ? 0.2474 0.2260 0.1244 0.0475  -0.0072 -0.0347 168 TRP L NE1 
2873 C  CE2 . TRP B 149 ? 0.2473 0.2429 0.1309 0.0405  -0.0172 -0.0175 168 TRP L CE2 
2874 C  CE3 . TRP B 149 ? 0.2536 0.2249 0.1522 0.0431  -0.0245 -0.0038 168 TRP L CE3 
2875 C  CZ2 . TRP B 149 ? 0.2565 0.2324 0.1515 0.0477  -0.0042 -0.0197 168 TRP L CZ2 
2876 C  CZ3 . TRP B 149 ? 0.2664 0.2264 0.1508 0.0364  -0.0212 -0.0059 168 TRP L CZ3 
2877 C  CH2 . TRP B 149 ? 0.2621 0.2389 0.1832 0.0385  -0.0152 -0.0224 168 TRP L CH2 
2878 N  N   . LYS B 150 ? 0.2993 0.2516 0.1223 0.0865  -0.0156 -0.0488 169 LYS L N   
2879 C  CA  . LYS B 150 ? 0.3644 0.2861 0.1306 0.0879  -0.0462 -0.0877 169 LYS L CA  
2880 C  C   . LYS B 150 ? 0.3555 0.2750 0.1732 0.0968  -0.0237 -0.0852 169 LYS L C   
2881 O  O   . LYS B 150 ? 0.3531 0.2845 0.2154 0.0947  0.0020  -0.0370 169 LYS L O   
2882 C  CB  . LYS B 150 ? 0.4154 0.4067 0.1458 0.0466  -0.0639 -0.0531 169 LYS L CB  
2883 C  CG  . LYS B 150 ? 0.4891 0.4562 0.1153 0.0295  -0.1128 -0.0644 169 LYS L CG  
2884 C  CD  . LYS B 150 ? 0.5502 0.5711 0.1339 0.0087  -0.1413 -0.0707 169 LYS L CD  
2885 C  CE  . LYS B 150 ? 0.6401 0.6420 0.2258 0.0304  -0.1620 -0.0292 169 LYS L CE  
2886 N  NZ  . LYS B 150 ? 0.6744 0.7018 0.2064 0.0689  -0.1540 -0.0529 169 LYS L NZ  
2887 N  N   . VAL B 151 ? 0.3776 0.2607 0.1975 0.1064  -0.0438 -0.0931 170 VAL L N   
2888 C  CA  . VAL B 151 ? 0.3957 0.2532 0.2316 0.1186  -0.0675 -0.0882 170 VAL L CA  
2889 C  C   . VAL B 151 ? 0.4478 0.2762 0.2429 0.0995  -0.0592 -0.1036 170 VAL L C   
2890 O  O   . VAL B 151 ? 0.4731 0.3432 0.2503 0.1485  -0.0434 -0.1606 170 VAL L O   
2891 C  CB  . VAL B 151 ? 0.4248 0.2628 0.1828 0.0999  -0.0660 -0.0998 170 VAL L CB  
2892 C  CG1 . VAL B 151 ? 0.4394 0.2881 0.2398 0.1293  -0.0573 -0.1141 170 VAL L CG1 
2893 C  CG2 . VAL B 151 ? 0.4428 0.2742 0.2064 0.1088  -0.0791 -0.1139 170 VAL L CG2 
2894 N  N   . ASP B 152 ? 0.4636 0.2955 0.2238 0.1094  -0.0514 -0.1104 171 ASP L N   
2895 C  CA  . ASP B 152 ? 0.5146 0.3107 0.2146 0.1073  -0.0780 -0.1102 171 ASP L CA  
2896 C  C   . ASP B 152 ? 0.5403 0.3612 0.2162 0.0960  -0.0485 -0.1101 171 ASP L C   
2897 O  O   . ASP B 152 ? 0.6550 0.4724 0.2585 0.1536  -0.0408 -0.1649 171 ASP L O   
2898 C  CB  . ASP B 152 ? 0.5475 0.2919 0.2735 0.0957  -0.0946 -0.1147 171 ASP L CB  
2899 C  CG  . ASP B 152 ? 0.5770 0.2912 0.2494 0.1111  -0.0597 -0.1425 171 ASP L CG  
2900 O  OD1 . ASP B 152 ? 0.5969 0.3018 0.3589 0.1080  -0.0264 -0.1163 171 ASP L OD1 
2901 O  OD2 . ASP B 152 ? 0.6608 0.3761 0.3128 0.1242  -0.1278 -0.1037 171 ASP L OD2 
2902 N  N   . ASN B 153 ? 0.5111 0.3755 0.1683 0.0969  -0.0577 -0.1009 172 ASN L N   
2903 C  CA  . ASN B 153 ? 0.5716 0.4464 0.1505 0.0937  -0.0271 -0.0796 172 ASN L CA  
2904 C  C   . ASN B 153 ? 0.5133 0.4871 0.1392 0.1109  -0.0237 -0.1233 172 ASN L C   
2905 O  O   . ASN B 153 ? 0.5728 0.5664 0.2285 0.1243  0.0247  -0.0397 172 ASN L O   
2906 C  CB  . ASN B 153 ? 0.6326 0.4829 0.2090 0.0762  -0.0914 -0.0656 172 ASN L CB  
2907 C  CG  . ASN B 153 ? 0.6855 0.5127 0.2461 0.0925  -0.1243 -0.0932 172 ASN L CG  
2908 O  OD1 . ASN B 153 ? 0.7104 0.6009 0.3562 0.1153  -0.1950 -0.1600 172 ASN L OD1 
2909 N  ND2 . ASN B 153 ? 0.7422 0.5823 0.3102 0.1162  -0.1461 -0.1653 172 ASN L ND2 
2910 N  N   . ALA B 154 ? 0.4604 0.4480 0.1979 0.1213  -0.0017 -0.1048 173 ALA L N   
2911 C  CA  . ALA B 154 ? 0.4393 0.4009 0.1543 0.1102  0.0228  -0.1289 173 ALA L CA  
2912 C  C   . ALA B 154 ? 0.4098 0.3999 0.1732 0.1153  0.0383  -0.1161 173 ALA L C   
2913 O  O   . ALA B 154 ? 0.4090 0.3994 0.1414 0.1072  0.0117  -0.0946 173 ALA L O   
2914 C  CB  . ALA B 154 ? 0.4395 0.3915 0.2835 0.1026  0.0323  -0.1383 173 ALA L CB  
2915 N  N   . LEU B 155 ? 0.3732 0.4239 0.1576 0.1001  0.0668  -0.0890 174 LEU L N   
2916 C  CA  . LEU B 155 ? 0.3436 0.4712 0.1996 0.1033  0.0694  -0.0876 174 LEU L CA  
2917 C  C   . LEU B 155 ? 0.3685 0.5046 0.1831 0.1224  0.0500  -0.1086 174 LEU L C   
2918 O  O   . LEU B 155 ? 0.3506 0.5958 0.2191 0.1258  0.0453  -0.0921 174 LEU L O   
2919 C  CB  . LEU B 155 ? 0.3819 0.4928 0.1699 0.0949  0.0619  -0.0791 174 LEU L CB  
2920 C  CG  . LEU B 155 ? 0.4123 0.5335 0.2170 0.0875  0.0427  -0.0066 174 LEU L CG  
2921 C  CD1 . LEU B 155 ? 0.3728 0.5140 0.2762 0.0799  0.0431  0.0088  174 LEU L CD1 
2922 C  CD2 . LEU B 155 ? 0.4769 0.5525 0.1877 0.0888  0.0834  0.0002  174 LEU L CD2 
2923 N  N   . GLN B 156 ? 0.2722 0.4614 0.1976 0.1063  0.0268  -0.1202 175 GLN L N   
2924 C  CA  . GLN B 156 ? 0.2447 0.4844 0.2221 0.1128  0.0346  -0.0908 175 GLN L CA  
2925 C  C   . GLN B 156 ? 0.2623 0.4674 0.2334 0.1046  0.0134  -0.0697 175 GLN L C   
2926 O  O   . GLN B 156 ? 0.3013 0.5063 0.2909 0.1002  0.0227  -0.0600 175 GLN L O   
2927 C  CB  . GLN B 156 ? 0.2610 0.4017 0.2020 0.1006  0.0150  -0.1000 175 GLN L CB  
2928 C  CG  . GLN B 156 ? 0.2756 0.3870 0.1932 0.0985  -0.0142 -0.0899 175 GLN L CG  
2929 C  CD  . GLN B 156 ? 0.3613 0.3850 0.1992 0.1240  -0.0406 -0.1174 175 GLN L CD  
2930 O  OE1 . GLN B 156 ? 0.4257 0.4244 0.2301 0.1037  -0.0331 -0.1470 175 GLN L OE1 
2931 N  NE2 . GLN B 156 ? 0.3802 0.2830 0.1870 0.1486  -0.0529 -0.1037 175 GLN L NE2 
2932 N  N   . SER B 157 ? 0.2653 0.5191 0.2807 0.1068  0.0483  -0.0418 176 SER L N   
2933 C  CA  . SER B 157 ? 0.2619 0.5589 0.2614 0.0712  0.0406  -0.0169 176 SER L CA  
2934 C  C   . SER B 157 ? 0.2978 0.5623 0.2174 0.0904  0.0450  -0.0257 176 SER L C   
2935 O  O   . SER B 157 ? 0.3416 0.5925 0.2531 0.1397  0.0310  -0.0850 176 SER L O   
2936 C  CB  . SER B 157 ? 0.3522 0.5975 0.3074 0.0110  0.0869  0.0178  176 SER L CB  
2937 O  OG  . SER B 157 ? 0.4665 0.7201 0.4028 -0.0261 0.1088  0.0234  176 SER L OG  
2938 N  N   . GLY B 158 ? 0.2885 0.5895 0.2207 0.0614  0.0443  -0.0257 177 GLY L N   
2939 C  CA  . GLY B 158 ? 0.2784 0.5616 0.1925 0.0609  0.0424  -0.0245 177 GLY L CA  
2940 C  C   . GLY B 158 ? 0.2451 0.5327 0.1734 0.0631  0.0045  -0.0320 177 GLY L C   
2941 O  O   . GLY B 158 ? 0.3321 0.6005 0.2036 0.0631  -0.0463 -0.0089 177 GLY L O   
2942 N  N   . ASN B 159 ? 0.2405 0.4447 0.2074 0.1053  0.0173  -0.0028 178 ASN L N   
2943 C  CA  . ASN B 159 ? 0.2401 0.4334 0.1630 0.0858  -0.0106 -0.0249 178 ASN L CA  
2944 C  C   . ASN B 159 ? 0.1973 0.3289 0.1680 0.0583  -0.0354 -0.0240 178 ASN L C   
2945 O  O   . ASN B 159 ? 0.2561 0.3314 0.1730 0.0707  0.0028  -0.0092 178 ASN L O   
2946 C  CB  . ASN B 159 ? 0.2792 0.4293 0.1364 0.1032  -0.0200 -0.0273 178 ASN L CB  
2947 C  CG  . ASN B 159 ? 0.2885 0.4176 0.1897 0.0986  -0.0177 -0.0633 178 ASN L CG  
2948 O  OD1 . ASN B 159 ? 0.3875 0.4348 0.2952 0.1433  0.0289  -0.0913 178 ASN L OD1 
2949 N  ND2 . ASN B 159 ? 0.2925 0.3712 0.1488 0.1191  0.0102  -0.0674 178 ASN L ND2 
2950 N  N   . SER B 160 ? 0.2325 0.3157 0.1787 0.0439  -0.0085 -0.0228 179 SER L N   
2951 C  CA  . SER B 160 ? 0.2178 0.2999 0.1936 0.0285  -0.0092 -0.0359 179 SER L CA  
2952 C  C   . SER B 160 ? 0.2143 0.2998 0.1700 0.0056  0.0016  -0.0186 179 SER L C   
2953 O  O   . SER B 160 ? 0.2341 0.3572 0.2066 -0.0247 0.0386  -0.0259 179 SER L O   
2954 C  CB  . SER B 160 ? 0.2190 0.2940 0.1867 0.0282  0.0001  -0.0380 179 SER L CB  
2955 O  OG  . SER B 160 ? 0.2831 0.3243 0.1906 0.0344  -0.0236 0.0066  179 SER L OG  
2956 N  N   . GLN B 161 ? 0.2217 0.2930 0.1573 0.0166  0.0113  -0.0014 180 GLN L N   
2957 C  CA  . GLN B 161 ? 0.2194 0.2738 0.1615 -0.0010 -0.0146 0.0057  180 GLN L CA  
2958 C  C   . GLN B 161 ? 0.2129 0.2712 0.1667 0.0038  -0.0215 0.0055  180 GLN L C   
2959 O  O   . GLN B 161 ? 0.2363 0.2590 0.1424 -0.0099 -0.0050 0.0095  180 GLN L O   
2960 C  CB  . GLN B 161 ? 0.2492 0.3161 0.1750 -0.0085 -0.0299 0.0022  180 GLN L CB  
2961 C  CG  . GLN B 161 ? 0.2757 0.3883 0.2212 -0.0060 -0.0466 -0.0039 180 GLN L CG  
2962 C  CD  . GLN B 161 ? 0.2821 0.4237 0.2105 -0.0260 -0.0503 0.0450  180 GLN L CD  
2963 O  OE1 . GLN B 161 ? 0.3477 0.4865 0.1903 -0.0283 -0.0615 0.0537  180 GLN L OE1 
2964 N  NE2 . GLN B 161 ? 0.2934 0.4616 0.1872 -0.0518 -0.0565 0.0734  180 GLN L NE2 
2965 N  N   . GLU B 162 ? 0.2306 0.2692 0.2180 0.0154  -0.0354 -0.0003 181 GLU L N   
2966 C  CA  . GLU B 162 ? 0.2248 0.2535 0.2340 0.0080  -0.0083 0.0021  181 GLU L CA  
2967 C  C   . GLU B 162 ? 0.1977 0.2355 0.1863 0.0117  -0.0405 0.0246  181 GLU L C   
2968 O  O   . GLU B 162 ? 0.2318 0.2708 0.1844 -0.0046 -0.0327 0.0255  181 GLU L O   
2969 C  CB  . GLU B 162 ? 0.2454 0.3546 0.2521 0.0320  -0.1050 -0.0214 181 GLU L CB  
2970 C  CG  . GLU B 162 ? 0.3185 0.4359 0.3200 0.0278  -0.0538 -0.0210 181 GLU L CG  
2971 C  CD  . GLU B 162 ? 0.3183 0.4221 0.3114 0.0336  -0.0342 0.0126  181 GLU L CD  
2972 O  OE1 . GLU B 162 ? 0.4028 0.4675 0.2538 -0.0039 -0.0309 -0.0291 181 GLU L OE1 
2973 O  OE2 . GLU B 162 ? 0.4263 0.4812 0.4316 0.0021  -0.0609 0.0055  181 GLU L OE2 
2974 N  N   . SER B 163 ? 0.1972 0.2011 0.1420 -0.0171 -0.0378 0.0651  182 SER L N   
2975 C  CA  . SER B 163 ? 0.2227 0.2319 0.1777 0.0165  -0.0401 0.0503  182 SER L CA  
2976 C  C   . SER B 163 ? 0.1829 0.2075 0.1530 -0.0187 -0.0477 0.0394  182 SER L C   
2977 O  O   . SER B 163 ? 0.2116 0.1666 0.1099 -0.0154 -0.0586 0.0380  182 SER L O   
2978 C  CB  . SER B 163 ? 0.2895 0.3514 0.2378 0.0099  -0.0417 0.0798  182 SER L CB  
2979 O  OG  . SER B 163 ? 0.2600 0.4289 0.1823 0.0149  -0.0528 0.1766  182 SER L OG  
2980 N  N   . VAL B 164 ? 0.1932 0.1944 0.1552 -0.0241 -0.0610 0.0448  183 VAL L N   
2981 C  CA  . VAL B 164 ? 0.2182 0.1811 0.1458 -0.0229 -0.0724 0.0564  183 VAL L CA  
2982 C  C   . VAL B 164 ? 0.2157 0.1528 0.1474 -0.0174 -0.0733 0.0548  183 VAL L C   
2983 O  O   . VAL B 164 ? 0.2132 0.1924 0.1839 -0.0137 -0.0842 0.0485  183 VAL L O   
2984 C  CB  . VAL B 164 ? 0.2531 0.2117 0.1606 -0.0299 -0.0589 0.0710  183 VAL L CB  
2985 C  CG1 . VAL B 164 ? 0.2615 0.2369 0.1446 -0.0261 -0.0623 0.0957  183 VAL L CG1 
2986 C  CG2 . VAL B 164 ? 0.3091 0.2559 0.1390 -0.0440 -0.0529 0.0578  183 VAL L CG2 
2987 N  N   . THR B 165 ? 0.2091 0.1379 0.1492 -0.0084 -0.0791 0.0380  184 THR L N   
2988 C  CA  . THR B 165 ? 0.2585 0.1503 0.1524 0.0001  -0.0885 0.0193  184 THR L CA  
2989 C  C   . THR B 165 ? 0.2747 0.1396 0.1131 0.0061  -0.0854 0.0158  184 THR L C   
2990 O  O   . THR B 165 ? 0.3380 0.1839 0.1226 -0.0150 -0.1026 0.0370  184 THR L O   
2991 C  CB  . THR B 165 ? 0.2725 0.1756 0.1299 -0.0135 -0.0748 0.0068  184 THR L CB  
2992 O  OG1 . THR B 165 ? 0.2464 0.3215 0.1399 -0.0155 -0.0857 -0.0779 184 THR L OG1 
2993 C  CG2 . THR B 165 ? 0.3196 0.2097 0.2539 -0.0274 0.0091  0.0257  184 THR L CG2 
2994 N  N   . GLU B 166 ? 0.3100 0.1328 0.1176 -0.0091 -0.1001 0.0044  185 GLU L N   
2995 C  CA  . GLU B 166 ? 0.3065 0.1396 0.1344 -0.0059 -0.1002 0.0104  185 GLU L CA  
2996 C  C   . GLU B 166 ? 0.2935 0.1349 0.1043 -0.0314 -0.0822 0.0097  185 GLU L C   
2997 O  O   . GLU B 166 ? 0.3067 0.1447 0.1504 -0.0491 -0.1020 0.0394  185 GLU L O   
2998 C  CB  . GLU B 166 ? 0.3448 0.2012 0.1311 -0.0168 -0.1287 -0.0052 185 GLU L CB  
2999 C  CG  . GLU B 166 ? 0.4076 0.2584 0.0977 -0.0468 -0.1299 0.0329  185 GLU L CG  
3000 C  CD  . GLU B 166 ? 0.4907 0.3849 0.0770 -0.0741 -0.1045 0.0258  185 GLU L CD  
3001 O  OE1 . GLU B 166 ? 0.5888 0.3697 0.1608 -0.0833 -0.0805 0.0582  185 GLU L OE1 
3002 O  OE2 . GLU B 166 ? 0.6020 0.5638 0.1692 -0.0187 -0.0124 -0.0250 185 GLU L OE2 
3003 N  N   . GLN B 167 ? 0.2696 0.1337 0.0936 -0.0372 -0.0637 0.0128  186 GLN L N   
3004 C  CA  . GLN B 167 ? 0.2495 0.1364 0.0943 -0.0214 -0.0500 -0.0027 186 GLN L CA  
3005 C  C   . GLN B 167 ? 0.2596 0.1366 0.0728 -0.0256 -0.0513 0.0091  186 GLN L C   
3006 O  O   . GLN B 167 ? 0.2998 0.1733 0.0696 -0.0376 -0.0447 0.0002  186 GLN L O   
3007 C  CB  . GLN B 167 ? 0.2283 0.1269 0.0945 -0.0198 -0.0352 -0.0024 186 GLN L CB  
3008 C  CG  . GLN B 167 ? 0.2287 0.1219 0.0929 -0.0125 -0.0511 -0.0006 186 GLN L CG  
3009 C  CD  . GLN B 167 ? 0.2281 0.1225 0.0966 -0.0254 -0.0672 0.0125  186 GLN L CD  
3010 O  OE1 . GLN B 167 ? 0.2520 0.1536 0.1224 -0.0462 -0.0860 0.0344  186 GLN L OE1 
3011 N  NE2 . GLN B 167 ? 0.2273 0.1077 0.0793 -0.0365 -0.0698 0.0232  186 GLN L NE2 
3012 N  N   . ASP B 168 ? 0.2614 0.1580 0.0363 -0.0218 -0.0364 -0.0066 187 ASP L N   
3013 C  CA  . ASP B 168 ? 0.2577 0.1756 0.0534 -0.0266 -0.0291 0.0143  187 ASP L CA  
3014 C  C   . ASP B 168 ? 0.2720 0.1782 0.0431 -0.0221 -0.0177 0.0013  187 ASP L C   
3015 O  O   . ASP B 168 ? 0.2501 0.1776 0.0296 -0.0238 -0.0103 -0.0038 187 ASP L O   
3016 C  CB  . ASP B 168 ? 0.2694 0.1870 0.1025 -0.0454 -0.0188 0.0159  187 ASP L CB  
3017 C  CG  . ASP B 168 ? 0.2957 0.2096 0.1263 -0.0127 0.0115  0.0248  187 ASP L CG  
3018 O  OD1 . ASP B 168 ? 0.2905 0.2300 0.1269 -0.0199 -0.0034 0.0073  187 ASP L OD1 
3019 O  OD2 . ASP B 168 ? 0.3989 0.2475 0.2451 -0.0077 0.0662  0.0669  187 ASP L OD2 
3020 N  N   . SER B 169 ? 0.3158 0.2158 0.0496 -0.0225 -0.0012 -0.0048 188 SER L N   
3021 C  CA  . SER B 169 ? 0.3276 0.2302 0.0391 -0.0039 -0.0060 -0.0093 188 SER L CA  
3022 C  C   . SER B 169 ? 0.3193 0.2169 0.0523 -0.0129 0.0085  -0.0217 188 SER L C   
3023 O  O   . SER B 169 ? 0.3441 0.2162 0.1157 -0.0319 -0.0024 -0.0106 188 SER L O   
3024 C  CB  A SER B 169 ? 0.3352 0.2390 0.0404 -0.0012 -0.0174 -0.0126 188 SER L CB  
3025 C  CB  B SER B 169 ? 0.3330 0.2562 0.0460 -0.0010 -0.0303 -0.0246 188 SER L CB  
3026 O  OG  A SER B 169 ? 0.3715 0.2655 0.0413 -0.0029 -0.0016 -0.0034 188 SER L OG  
3027 O  OG  B SER B 169 ? 0.3597 0.3176 0.1143 0.0159  -0.0451 -0.0321 188 SER L OG  
3028 N  N   . LYS B 170 ? 0.2800 0.2188 0.0669 -0.0135 0.0016  -0.0150 189 LYS L N   
3029 C  CA  . LYS B 170 ? 0.2913 0.2313 0.0867 0.0009  0.0067  -0.0191 189 LYS L CA  
3030 C  C   . LYS B 170 ? 0.2768 0.2123 0.0870 -0.0036 0.0078  -0.0178 189 LYS L C   
3031 O  O   . LYS B 170 ? 0.3391 0.2507 0.1156 0.0453  -0.0203 -0.0459 189 LYS L O   
3032 C  CB  . LYS B 170 ? 0.3208 0.2882 0.1387 -0.0187 0.0372  -0.0196 189 LYS L CB  
3033 C  CG  . LYS B 170 ? 0.4102 0.4083 0.1609 -0.0252 0.0505  -0.0002 189 LYS L CG  
3034 C  CD  . LYS B 170 ? 0.4799 0.5163 0.3023 -0.0471 0.1120  0.0193  189 LYS L CD  
3035 C  CE  . LYS B 170 ? 0.5955 0.6261 0.3391 -0.0311 0.1557  -0.0012 189 LYS L CE  
3036 N  NZ  . LYS B 170 ? 0.6697 0.7030 0.5347 -0.0652 0.1537  0.0724  189 LYS L NZ  
3037 N  N   . ASP B 171 ? 0.2584 0.2272 0.1036 0.0077  -0.0123 -0.0131 190 ASP L N   
3038 C  CA  . ASP B 171 ? 0.2592 0.2246 0.0976 -0.0112 0.0015  -0.0292 190 ASP L CA  
3039 C  C   . ASP B 171 ? 0.2406 0.1710 0.0639 -0.0204 -0.0227 -0.0284 190 ASP L C   
3040 O  O   . ASP B 171 ? 0.2503 0.1946 0.0621 -0.0092 -0.0402 -0.0349 190 ASP L O   
3041 C  CB  . ASP B 171 ? 0.2863 0.2447 0.1492 -0.0302 0.0287  -0.0403 190 ASP L CB  
3042 C  CG  . ASP B 171 ? 0.2571 0.2143 0.1665 -0.0470 0.0384  -0.0128 190 ASP L CG  
3043 O  OD1 . ASP B 171 ? 0.2832 0.1757 0.1614 -0.0579 -0.0219 -0.0235 190 ASP L OD1 
3044 O  OD2 . ASP B 171 ? 0.3024 0.2553 0.3369 -0.0699 0.0302  -0.0422 190 ASP L OD2 
3045 N  N   . SER B 172 ? 0.2327 0.1464 0.0298 -0.0172 -0.0218 -0.0085 191 SER L N   
3046 C  CA  . SER B 172 ? 0.2410 0.1324 0.0372 -0.0220 -0.0315 -0.0081 191 SER L CA  
3047 C  C   . SER B 172 ? 0.2101 0.1214 0.0509 -0.0342 -0.0215 -0.0056 191 SER L C   
3048 O  O   . SER B 172 ? 0.2272 0.1399 0.0739 -0.0427 0.0036  -0.0201 191 SER L O   
3049 C  CB  . SER B 172 ? 0.2697 0.1232 0.0504 -0.0293 -0.0294 -0.0117 191 SER L CB  
3050 O  OG  . SER B 172 ? 0.2923 0.1294 0.0742 -0.0161 -0.0372 -0.0086 191 SER L OG  
3051 N  N   . THR B 173 ? 0.2098 0.1137 0.0588 -0.0289 -0.0275 -0.0160 192 THR L N   
3052 C  CA  . THR B 173 ? 0.1847 0.1137 0.0463 -0.0291 -0.0283 -0.0075 192 THR L CA  
3053 C  C   . THR B 173 ? 0.1780 0.1330 0.0507 -0.0228 -0.0411 -0.0138 192 THR L C   
3054 O  O   . THR B 173 ? 0.2342 0.1518 0.0468 -0.0228 -0.0511 -0.0122 192 THR L O   
3055 C  CB  . THR B 173 ? 0.1792 0.1350 0.0888 -0.0407 -0.0085 -0.0076 192 THR L CB  
3056 O  OG1 . THR B 173 ? 0.2546 0.1624 0.0968 -0.0616 -0.0100 0.0065  192 THR L OG1 
3057 C  CG2 . THR B 173 ? 0.1795 0.1602 0.1012 -0.0439 -0.0140 -0.0242 192 THR L CG2 
3058 N  N   . TYR B 174 ? 0.1919 0.1230 0.0631 -0.0151 -0.0459 -0.0088 193 TYR L N   
3059 C  CA  . TYR B 174 ? 0.1854 0.1324 0.0621 -0.0177 -0.0486 -0.0047 193 TYR L CA  
3060 C  C   . TYR B 174 ? 0.1805 0.1314 0.0661 -0.0184 -0.0483 -0.0002 193 TYR L C   
3061 O  O   . TYR B 174 ? 0.1874 0.1292 0.0916 -0.0269 -0.0432 -0.0025 193 TYR L O   
3062 C  CB  . TYR B 174 ? 0.1978 0.1509 0.1005 -0.0168 -0.0468 0.0089  193 TYR L CB  
3063 C  CG  . TYR B 174 ? 0.2028 0.1427 0.1290 -0.0179 -0.0597 0.0160  193 TYR L CG  
3064 C  CD1 . TYR B 174 ? 0.2062 0.1382 0.1484 -0.0210 -0.0794 0.0378  193 TYR L CD1 
3065 C  CD2 . TYR B 174 ? 0.2166 0.1238 0.1448 0.0005  -0.0470 0.0172  193 TYR L CD2 
3066 C  CE1 . TYR B 174 ? 0.2156 0.1487 0.1770 -0.0369 -0.0662 0.0108  193 TYR L CE1 
3067 C  CE2 . TYR B 174 ? 0.2244 0.1556 0.1773 -0.0236 -0.0318 0.0226  193 TYR L CE2 
3068 C  CZ  . TYR B 174 ? 0.2419 0.1483 0.1977 -0.0303 -0.0370 0.0206  193 TYR L CZ  
3069 O  OH  . TYR B 174 ? 0.2579 0.1769 0.2529 -0.0516 -0.0190 0.0386  193 TYR L OH  
3070 N  N   . SER B 175 ? 0.1930 0.1436 0.0514 -0.0225 -0.0519 -0.0006 194 SER L N   
3071 C  CA  . SER B 175 ? 0.1921 0.1481 0.0559 -0.0225 -0.0466 0.0147  194 SER L CA  
3072 C  C   . SER B 175 ? 0.1889 0.1493 0.0565 -0.0246 -0.0504 0.0233  194 SER L C   
3073 O  O   . SER B 175 ? 0.1872 0.1542 0.0912 -0.0234 -0.0497 0.0113  194 SER L O   
3074 C  CB  . SER B 175 ? 0.2061 0.1693 0.0564 -0.0131 -0.0304 0.0118  194 SER L CB  
3075 O  OG  . SER B 175 ? 0.1975 0.1882 0.0743 -0.0209 -0.0184 0.0054  194 SER L OG  
3076 N  N   . LEU B 176 ? 0.1757 0.1524 0.0652 -0.0197 -0.0499 0.0187  195 LEU L N   
3077 C  CA  . LEU B 176 ? 0.1817 0.1537 0.0756 -0.0121 -0.0458 0.0146  195 LEU L CA  
3078 C  C   . LEU B 176 ? 0.1872 0.1554 0.0861 -0.0123 -0.0384 0.0118  195 LEU L C   
3079 O  O   . LEU B 176 ? 0.1835 0.1734 0.1043 -0.0124 -0.0613 0.0204  195 LEU L O   
3080 C  CB  . LEU B 176 ? 0.2036 0.1786 0.0916 -0.0099 -0.0261 0.0184  195 LEU L CB  
3081 C  CG  . LEU B 176 ? 0.1859 0.2293 0.1166 -0.0100 -0.0281 0.0222  195 LEU L CG  
3082 C  CD1 . LEU B 176 ? 0.2053 0.2399 0.1515 -0.0146 -0.0036 0.0240  195 LEU L CD1 
3083 C  CD2 . LEU B 176 ? 0.2076 0.2422 0.1075 0.0000  -0.0223 0.0068  195 LEU L CD2 
3084 N  N   . SER B 177 ? 0.1853 0.1659 0.1061 -0.0098 -0.0378 0.0108  196 SER L N   
3085 C  CA  . SER B 177 ? 0.1804 0.1687 0.1252 -0.0152 -0.0492 0.0192  196 SER L CA  
3086 C  C   . SER B 177 ? 0.1994 0.1775 0.1982 -0.0082 -0.0333 0.0295  196 SER L C   
3087 O  O   . SER B 177 ? 0.2148 0.1877 0.3375 -0.0127 -0.0239 -0.0137 196 SER L O   
3088 C  CB  A SER B 177 ? 0.2121 0.1685 0.1198 -0.0363 -0.0397 0.0248  196 SER L CB  
3089 C  CB  B SER B 177 ? 0.2389 0.2067 0.1282 -0.0052 -0.0330 0.0318  196 SER L CB  
3090 O  OG  A SER B 177 ? 0.2169 0.1467 0.1064 -0.0539 -0.0533 0.0118  196 SER L OG  
3091 O  OG  B SER B 177 ? 0.2843 0.2077 0.1884 0.0142  -0.0337 0.0289  196 SER L OG  
3092 N  N   . SER B 178 ? 0.1755 0.2061 0.1759 0.0127  -0.0203 0.0066  197 SER L N   
3093 C  CA  . SER B 178 ? 0.1979 0.2039 0.2160 0.0144  -0.0075 0.0046  197 SER L CA  
3094 C  C   . SER B 178 ? 0.2066 0.1944 0.2305 0.0149  -0.0128 0.0047  197 SER L C   
3095 O  O   . SER B 178 ? 0.2034 0.2069 0.2824 0.0073  -0.0312 0.0195  197 SER L O   
3096 C  CB  . SER B 178 ? 0.2028 0.2536 0.2431 0.0153  -0.0096 0.0203  197 SER L CB  
3097 O  OG  . SER B 178 ? 0.2334 0.2451 0.2720 0.0216  0.0007  0.0055  197 SER L OG  
3098 N  N   . THR B 179 ? 0.2130 0.1952 0.1498 0.0017  -0.0100 -0.0203 198 THR L N   
3099 C  CA  . THR B 179 ? 0.2033 0.2337 0.1352 0.0157  -0.0336 -0.0171 198 THR L CA  
3100 C  C   . THR B 179 ? 0.2113 0.2276 0.1234 0.0361  -0.0418 -0.0045 198 THR L C   
3101 O  O   . THR B 179 ? 0.2084 0.2533 0.1401 0.0331  -0.0072 -0.0203 198 THR L O   
3102 C  CB  . THR B 179 ? 0.2274 0.2628 0.1300 -0.0107 -0.0281 -0.0201 198 THR L CB  
3103 O  OG1 . THR B 179 ? 0.2677 0.2924 0.1534 -0.0265 0.0038  -0.0626 198 THR L OG1 
3104 C  CG2 . THR B 179 ? 0.2884 0.2919 0.1177 -0.0255 -0.0237 -0.0164 198 THR L CG2 
3105 N  N   . LEU B 180 ? 0.2168 0.2121 0.1320 0.0437  -0.0125 -0.0026 199 LEU L N   
3106 C  CA  . LEU B 180 ? 0.2417 0.2168 0.1291 0.0568  -0.0235 -0.0181 199 LEU L CA  
3107 C  C   . LEU B 180 ? 0.2472 0.1977 0.1515 0.0670  -0.0121 -0.0120 199 LEU L C   
3108 O  O   . LEU B 180 ? 0.2482 0.2551 0.1463 0.0514  -0.0246 0.0062  199 LEU L O   
3109 C  CB  . LEU B 180 ? 0.2570 0.2152 0.1497 0.0457  -0.0285 -0.0172 199 LEU L CB  
3110 C  CG  . LEU B 180 ? 0.2648 0.2400 0.1776 0.0626  -0.0369 -0.0243 199 LEU L CG  
3111 C  CD1 . LEU B 180 ? 0.2885 0.2869 0.1438 0.0527  -0.0353 -0.0546 199 LEU L CD1 
3112 C  CD2 . LEU B 180 ? 0.2700 0.2483 0.1244 0.0571  -0.0282 -0.0320 199 LEU L CD2 
3113 N  N   . THR B 181 ? 0.2633 0.2561 0.1749 0.0766  -0.0398 -0.0099 200 THR L N   
3114 C  CA  . THR B 181 ? 0.2777 0.2556 0.1577 0.0985  -0.0259 -0.0162 200 THR L CA  
3115 C  C   . THR B 181 ? 0.2897 0.2775 0.2132 0.1194  -0.0235 -0.0218 200 THR L C   
3116 O  O   . THR B 181 ? 0.2801 0.3459 0.2463 0.0910  -0.0059 -0.0019 200 THR L O   
3117 C  CB  . THR B 181 ? 0.3137 0.2840 0.2340 0.0938  -0.0616 -0.0047 200 THR L CB  
3118 O  OG1 . THR B 181 ? 0.3669 0.2807 0.2146 0.1001  -0.0727 -0.0098 200 THR L OG1 
3119 C  CG2 . THR B 181 ? 0.3941 0.3039 0.2643 0.0832  -0.0963 -0.0010 200 THR L CG2 
3120 N  N   . LEU B 182 ? 0.3274 0.2572 0.2161 0.1282  -0.0244 -0.0032 201 LEU L N   
3121 C  CA  . LEU B 182 ? 0.3444 0.2674 0.2658 0.1374  -0.0380 -0.0099 201 LEU L CA  
3122 C  C   . LEU B 182 ? 0.3713 0.2564 0.2567 0.1465  -0.0564 -0.0235 201 LEU L C   
3123 O  O   . LEU B 182 ? 0.3630 0.3044 0.2463 0.1342  -0.0765 -0.0495 201 LEU L O   
3124 C  CB  . LEU B 182 ? 0.4143 0.2766 0.2778 0.1346  -0.0688 -0.0128 201 LEU L CB  
3125 C  CG  . LEU B 182 ? 0.4352 0.3084 0.3215 0.0898  -0.0945 0.0255  201 LEU L CG  
3126 C  CD1 . LEU B 182 ? 0.4565 0.3385 0.3793 0.0803  -0.0928 0.0347  201 LEU L CD1 
3127 C  CD2 . LEU B 182 ? 0.4607 0.3617 0.3156 0.0974  -0.0752 0.0105  201 LEU L CD2 
3128 N  N   . SER B 183 ? 0.3993 0.3323 0.3267 0.1641  -0.0507 -0.0453 202 SER L N   
3129 C  CA  . SER B 183 ? 0.4240 0.2889 0.2644 0.1295  -0.1120 -0.0957 202 SER L CA  
3130 C  C   . SER B 183 ? 0.4208 0.3032 0.3397 0.1471  -0.0993 -0.0405 202 SER L C   
3131 O  O   . SER B 183 ? 0.4661 0.2552 0.3030 0.1778  -0.1121 -0.0582 202 SER L O   
3132 C  CB  . SER B 183 ? 0.4261 0.3181 0.3093 0.1427  -0.1334 -0.0649 202 SER L CB  
3133 O  OG  . SER B 183 ? 0.4916 0.3833 0.2961 0.1707  -0.0891 -0.1077 202 SER L OG  
3134 N  N   . LYS B 184 ? 0.4524 0.3461 0.3114 0.1490  -0.0935 -0.0328 203 LYS L N   
3135 C  CA  . LYS B 184 ? 0.4439 0.3266 0.2879 0.1562  -0.0957 -0.0348 203 LYS L CA  
3136 C  C   . LYS B 184 ? 0.4778 0.3111 0.3369 0.1513  -0.1018 -0.0495 203 LYS L C   
3137 O  O   . LYS B 184 ? 0.4830 0.2712 0.3223 0.1560  -0.1048 -0.0205 203 LYS L O   
3138 C  CB  . LYS B 184 ? 0.5086 0.3550 0.3173 0.1522  -0.0828 0.0227  203 LYS L CB  
3139 C  CG  . LYS B 184 ? 0.5691 0.4132 0.3632 0.1193  -0.0875 0.0387  203 LYS L CG  
3140 C  CD  . LYS B 184 ? 0.6361 0.4698 0.4479 0.1198  -0.0698 0.0825  203 LYS L CD  
3141 C  CE  . LYS B 184 ? 0.6770 0.5212 0.5176 0.1016  -0.0968 0.1046  203 LYS L CE  
3142 N  NZ  . LYS B 184 ? 0.7590 0.5508 0.5716 0.0950  -0.1064 0.1413  203 LYS L NZ  
3143 N  N   . ALA B 185 ? 0.5024 0.3627 0.3583 0.1965  -0.1213 -0.0817 204 ALA L N   
3144 C  CA  . ALA B 185 ? 0.5405 0.3575 0.3918 0.1609  -0.1378 -0.1042 204 ALA L CA  
3145 C  C   . ALA B 185 ? 0.5211 0.3179 0.4335 0.1970  -0.1582 -0.0744 204 ALA L C   
3146 O  O   . ALA B 185 ? 0.5834 0.3385 0.4404 0.1750  -0.1635 -0.1454 204 ALA L O   
3147 C  CB  . ALA B 185 ? 0.5586 0.3810 0.4212 0.1689  -0.1132 -0.1191 204 ALA L CB  
3148 N  N   . ASP B 186 ? 0.5832 0.3063 0.3995 0.1980  -0.1168 -0.0938 205 ASP L N   
3149 C  CA  . ASP B 186 ? 0.6017 0.3611 0.3211 0.2125  -0.0873 -0.1268 205 ASP L CA  
3150 C  C   . ASP B 186 ? 0.6331 0.3417 0.3046 0.1914  -0.0901 -0.0915 205 ASP L C   
3151 O  O   . ASP B 186 ? 0.6150 0.3251 0.3473 0.1594  -0.0924 -0.0922 205 ASP L O   
3152 C  CB  . ASP B 186 ? 0.6818 0.4165 0.3225 0.1930  -0.1106 -0.1069 205 ASP L CB  
3153 C  CG  . ASP B 186 ? 0.8172 0.5285 0.3543 0.1400  -0.1040 -0.1206 205 ASP L CG  
3154 O  OD1 . ASP B 186 ? 0.8373 0.6091 0.2994 0.1646  -0.1146 -0.1641 205 ASP L OD1 
3155 O  OD2 . ASP B 186 ? 0.8874 0.6163 0.3676 0.0897  -0.0843 -0.0790 205 ASP L OD2 
3156 N  N   . TYR B 187 ? 0.5264 0.3220 0.2770 0.1515  -0.0977 -0.0994 206 TYR L N   
3157 C  CA  . TYR B 187 ? 0.5159 0.2562 0.2231 0.1385  -0.1096 -0.0681 206 TYR L CA  
3158 C  C   . TYR B 187 ? 0.5296 0.2512 0.2781 0.1312  -0.1477 -0.0350 206 TYR L C   
3159 O  O   . TYR B 187 ? 0.5030 0.2348 0.2599 0.0947  -0.1058 -0.0720 206 TYR L O   
3160 C  CB  . TYR B 187 ? 0.4849 0.2573 0.1906 0.1129  -0.1231 -0.0716 206 TYR L CB  
3161 C  CG  . TYR B 187 ? 0.4702 0.2237 0.2089 0.1006  -0.1116 -0.0329 206 TYR L CG  
3162 C  CD1 . TYR B 187 ? 0.4230 0.1990 0.1872 0.1067  -0.0937 -0.0580 206 TYR L CD1 
3163 C  CD2 . TYR B 187 ? 0.4239 0.2158 0.2792 0.0764  -0.0934 -0.0305 206 TYR L CD2 
3164 C  CE1 . TYR B 187 ? 0.4132 0.1751 0.2198 0.1062  -0.0876 -0.0484 206 TYR L CE1 
3165 C  CE2 . TYR B 187 ? 0.4155 0.2095 0.2809 0.0825  -0.0917 0.0029  206 TYR L CE2 
3166 C  CZ  . TYR B 187 ? 0.4051 0.1880 0.2151 0.0940  -0.0871 -0.0413 206 TYR L CZ  
3167 O  OH  . TYR B 187 ? 0.3851 0.2573 0.2552 0.0500  -0.0573 -0.0113 206 TYR L OH  
3168 N  N   . GLU B 188 ? 0.5679 0.2486 0.2808 0.1302  -0.1595 -0.0300 207 GLU L N   
3169 C  CA  . GLU B 188 ? 0.6045 0.2494 0.3216 0.1250  -0.1713 -0.0260 207 GLU L CA  
3170 C  C   . GLU B 188 ? 0.6233 0.2460 0.3591 0.1530  -0.1693 -0.0480 207 GLU L C   
3171 O  O   . GLU B 188 ? 0.6968 0.2314 0.4173 0.1225  -0.1279 -0.0781 207 GLU L O   
3172 C  CB  . GLU B 188 ? 0.6397 0.2388 0.3366 0.1102  -0.1942 -0.0117 207 GLU L CB  
3173 C  CG  . GLU B 188 ? 0.6709 0.2428 0.3645 0.0935  -0.1591 -0.0071 207 GLU L CG  
3174 C  CD  . GLU B 188 ? 0.7534 0.2891 0.3955 0.0388  -0.1331 -0.0181 207 GLU L CD  
3175 O  OE1 . GLU B 188 ? 0.7786 0.2890 0.4231 0.0309  -0.1735 -0.0419 207 GLU L OE1 
3176 O  OE2 . GLU B 188 ? 0.7911 0.3094 0.3662 0.0044  -0.1154 -0.0514 207 GLU L OE2 
3177 N  N   . LYS B 189 ? 0.6654 0.2815 0.3446 0.1704  -0.1204 -0.0959 208 LYS L N   
3178 C  CA  . LYS B 189 ? 0.6965 0.3060 0.3173 0.1478  -0.1473 -0.1184 208 LYS L CA  
3179 C  C   . LYS B 189 ? 0.6529 0.2628 0.3417 0.1727  -0.1432 -0.1097 208 LYS L C   
3180 O  O   . LYS B 189 ? 0.8773 0.3077 0.3611 0.2209  -0.0852 -0.1680 208 LYS L O   
3181 C  CB  . LYS B 189 ? 0.7042 0.4573 0.3712 0.1504  -0.1459 -0.1503 208 LYS L CB  
3182 C  CG  . LYS B 189 ? 0.7329 0.6456 0.4448 0.1577  -0.1897 -0.1188 208 LYS L CG  
3183 C  CD  . LYS B 189 ? 0.7334 0.7910 0.6282 0.1297  -0.1714 -0.1300 208 LYS L CD  
3184 C  CE  . LYS B 189 ? 0.7697 0.8943 0.7442 0.1403  -0.2054 -0.0908 208 LYS L CE  
3185 N  NZ  . LYS B 189 ? 0.8079 0.9714 0.8310 0.1152  -0.1756 -0.0693 208 LYS L NZ  
3186 N  N   . HIS B 190 ? 0.6788 0.2310 0.2844 0.1632  -0.1378 -0.1128 209 HIS L N   
3187 C  CA  . HIS B 190 ? 0.5661 0.2983 0.2955 0.1450  -0.1431 -0.1177 209 HIS L CA  
3188 C  C   . HIS B 190 ? 0.6087 0.2493 0.3456 0.1172  -0.1369 -0.1076 209 HIS L C   
3189 O  O   . HIS B 190 ? 0.5826 0.2671 0.3391 0.1041  -0.1981 -0.0920 209 HIS L O   
3190 C  CB  . HIS B 190 ? 0.5573 0.2975 0.2930 0.1811  -0.1229 -0.1233 209 HIS L CB  
3191 C  CG  . HIS B 190 ? 0.5667 0.4001 0.3149 0.1759  -0.0510 -0.1546 209 HIS L CG  
3192 N  ND1 . HIS B 190 ? 0.6288 0.4751 0.3439 0.1895  -0.0019 -0.1515 209 HIS L ND1 
3193 C  CD2 . HIS B 190 ? 0.5833 0.4539 0.3214 0.1891  -0.0388 -0.1359 209 HIS L CD2 
3194 C  CE1 . HIS B 190 ? 0.5856 0.4943 0.3063 0.1980  0.0095  -0.1630 209 HIS L CE1 
3195 N  NE2 . HIS B 190 ? 0.5673 0.4448 0.3537 0.1877  -0.0479 -0.1215 209 HIS L NE2 
3196 N  N   . LYS B 191 ? 0.5632 0.2438 0.2680 0.0968  -0.1049 -0.0918 210 LYS L N   
3197 C  CA  . LYS B 191 ? 0.5915 0.2363 0.3182 0.0699  -0.1432 -0.0656 210 LYS L CA  
3198 C  C   . LYS B 191 ? 0.5278 0.2291 0.2476 0.0713  -0.1285 -0.0664 210 LYS L C   
3199 O  O   . LYS B 191 ? 0.5262 0.2115 0.2330 0.0412  -0.1122 -0.0535 210 LYS L O   
3200 C  CB  . LYS B 191 ? 0.6714 0.2388 0.3766 0.0395  -0.1568 -0.1054 210 LYS L CB  
3201 C  CG  . LYS B 191 ? 0.7483 0.3489 0.4569 0.0190  -0.1740 -0.1221 210 LYS L CG  
3202 C  CD  . LYS B 191 ? 0.8674 0.5086 0.6093 -0.0821 -0.2374 -0.1656 210 LYS L CD  
3203 C  CE  . LYS B 191 ? 0.9379 0.6524 0.7288 -0.0498 -0.2838 -0.1428 210 LYS L CE  
3204 N  NZ  . LYS B 191 ? 1.0256 0.7608 0.7973 -0.0346 -0.2880 -0.2461 210 LYS L NZ  
3205 N  N   . VAL B 192 ? 0.5090 0.2123 0.2314 0.0642  -0.0826 -0.0567 211 VAL L N   
3206 C  CA  . VAL B 192 ? 0.4505 0.2190 0.2065 0.0611  -0.0813 -0.0616 211 VAL L CA  
3207 C  C   . VAL B 192 ? 0.4025 0.2263 0.2133 0.0588  -0.0819 -0.0286 211 VAL L C   
3208 O  O   . VAL B 192 ? 0.4060 0.2513 0.2093 0.0416  -0.0812 -0.0803 211 VAL L O   
3209 C  CB  . VAL B 192 ? 0.4941 0.2429 0.2085 0.0587  -0.0835 -0.0617 211 VAL L CB  
3210 C  CG1 . VAL B 192 ? 0.4952 0.2846 0.2602 0.0810  -0.1202 -0.0588 211 VAL L CG1 
3211 C  CG2 . VAL B 192 ? 0.5183 0.2391 0.2662 0.0532  -0.0801 -0.0291 211 VAL L CG2 
3212 N  N   . TYR B 193 ? 0.3763 0.1920 0.1781 0.0497  -0.0761 -0.0079 212 TYR L N   
3213 C  CA  . TYR B 193 ? 0.3636 0.1963 0.1606 0.0588  -0.0667 -0.0135 212 TYR L CA  
3214 C  C   . TYR B 193 ? 0.3122 0.1811 0.1764 0.0450  -0.0535 -0.0029 212 TYR L C   
3215 O  O   . TYR B 193 ? 0.3273 0.2198 0.1842 0.0404  -0.0334 0.0245  212 TYR L O   
3216 C  CB  . TYR B 193 ? 0.3630 0.1893 0.1593 0.0633  -0.0615 -0.0114 212 TYR L CB  
3217 C  CG  . TYR B 193 ? 0.3897 0.2081 0.1707 0.0740  -0.0893 -0.0209 212 TYR L CG  
3218 C  CD1 . TYR B 193 ? 0.3993 0.1804 0.1586 0.0711  -0.0716 -0.0604 212 TYR L CD1 
3219 C  CD2 . TYR B 193 ? 0.4008 0.2178 0.1925 0.0884  -0.0912 -0.0256 212 TYR L CD2 
3220 C  CE1 . TYR B 193 ? 0.4246 0.2151 0.1916 0.0769  -0.0953 -0.0633 212 TYR L CE1 
3221 C  CE2 . TYR B 193 ? 0.4139 0.1920 0.2484 0.0901  -0.0803 -0.0211 212 TYR L CE2 
3222 C  CZ  . TYR B 193 ? 0.4129 0.2156 0.2074 0.0824  -0.0912 -0.0145 212 TYR L CZ  
3223 O  OH  . TYR B 193 ? 0.4574 0.2492 0.2417 0.1369  -0.0829 -0.0512 212 TYR L OH  
3224 N  N   . ALA B 194 ? 0.3007 0.2088 0.1622 0.0343  -0.0635 -0.0213 213 ALA L N   
3225 C  CA  . ALA B 194 ? 0.2828 0.2028 0.1705 0.0492  -0.0508 -0.0446 213 ALA L CA  
3226 C  C   . ALA B 194 ? 0.2526 0.2116 0.1414 0.0376  -0.0465 0.0045  213 ALA L C   
3227 O  O   . ALA B 194 ? 0.2647 0.2026 0.1743 0.0603  -0.0241 -0.0390 213 ALA L O   
3228 C  CB  . ALA B 194 ? 0.3145 0.2437 0.1762 0.0333  -0.0761 -0.0416 213 ALA L CB  
3229 N  N   . CYS B 195 ? 0.2233 0.2239 0.1101 0.0281  -0.0254 -0.0041 214 CYS L N   
3230 C  CA  . CYS B 195 ? 0.2395 0.2102 0.1073 0.0282  -0.0323 0.0017  214 CYS L CA  
3231 C  C   . CYS B 195 ? 0.2137 0.2150 0.1031 0.0197  -0.0224 -0.0075 214 CYS L C   
3232 O  O   . CYS B 195 ? 0.2171 0.2181 0.0820 0.0053  -0.0062 0.0289  214 CYS L O   
3233 C  CB  A CYS B 195 ? 0.2574 0.2082 0.1282 0.0199  -0.0325 -0.0069 214 CYS L CB  
3234 C  CB  B CYS B 195 ? 0.2848 0.2381 0.1290 0.0294  -0.0370 -0.0034 214 CYS L CB  
3235 S  SG  A CYS B 195 ? 0.2339 0.1852 0.0617 -0.0009 -0.0332 0.0061  214 CYS L SG  
3236 S  SG  B CYS B 195 ? 0.2913 0.2664 0.0951 0.0176  -0.0376 0.0218  214 CYS L SG  
3237 N  N   . GLU B 196 ? 0.1910 0.2077 0.0933 0.0282  -0.0098 -0.0155 215 GLU L N   
3238 C  CA  . GLU B 196 ? 0.2189 0.2208 0.0819 0.0195  -0.0057 -0.0109 215 GLU L CA  
3239 C  C   . GLU B 196 ? 0.1854 0.2070 0.0576 0.0158  -0.0039 0.0081  215 GLU L C   
3240 O  O   . GLU B 196 ? 0.1804 0.2436 0.1163 0.0330  0.0170  -0.0090 215 GLU L O   
3241 C  CB  . GLU B 196 ? 0.2691 0.2445 0.1034 0.0417  0.0064  -0.0300 215 GLU L CB  
3242 C  CG  . GLU B 196 ? 0.3305 0.2948 0.0857 0.0638  0.0102  -0.0314 215 GLU L CG  
3243 C  CD  . GLU B 196 ? 0.4420 0.3720 0.1035 0.1219  0.0377  -0.0251 215 GLU L CD  
3244 O  OE1 . GLU B 196 ? 0.5280 0.4472 0.1698 0.1922  0.0602  -0.0670 215 GLU L OE1 
3245 O  OE2 . GLU B 196 ? 0.5386 0.5010 0.1373 0.1911  0.0139  0.0299  215 GLU L OE2 
3246 N  N   . VAL B 197 ? 0.1524 0.2050 0.0397 0.0028  0.0026  0.0024  216 VAL L N   
3247 C  CA  . VAL B 197 ? 0.1491 0.2039 0.0757 0.0164  -0.0143 0.0018  216 VAL L CA  
3248 C  C   . VAL B 197 ? 0.1550 0.1965 0.0617 -0.0028 -0.0004 0.0011  216 VAL L C   
3249 O  O   . VAL B 197 ? 0.1692 0.1989 0.0623 -0.0083 -0.0026 0.0115  216 VAL L O   
3250 C  CB  . VAL B 197 ? 0.1614 0.2028 0.0726 0.0127  -0.0134 0.0035  216 VAL L CB  
3251 C  CG1 . VAL B 197 ? 0.1858 0.2054 0.0555 0.0236  -0.0312 -0.0106 216 VAL L CG1 
3252 C  CG2 . VAL B 197 ? 0.1907 0.2091 0.0731 0.0207  -0.0201 -0.0116 216 VAL L CG2 
3253 N  N   . THR B 198 ? 0.1606 0.1897 0.0794 0.0025  -0.0225 0.0104  217 THR L N   
3254 C  CA  . THR B 198 ? 0.1703 0.1842 0.0719 -0.0055 -0.0029 0.0129  217 THR L CA  
3255 C  C   . THR B 198 ? 0.1659 0.1838 0.0779 0.0039  -0.0008 0.0099  217 THR L C   
3256 O  O   . THR B 198 ? 0.1819 0.2044 0.0913 0.0060  -0.0152 0.0118  217 THR L O   
3257 C  CB  . THR B 198 ? 0.1969 0.2165 0.0993 0.0164  0.0054  0.0177  217 THR L CB  
3258 O  OG1 . THR B 198 ? 0.2314 0.2314 0.1077 0.0184  0.0279  -0.0047 217 THR L OG1 
3259 C  CG2 . THR B 198 ? 0.2397 0.2381 0.0993 -0.0006 0.0256  0.0194  217 THR L CG2 
3260 N  N   . HIS B 199 ? 0.1616 0.1804 0.0522 -0.0068 -0.0101 0.0044  218 HIS L N   
3261 C  CA  . HIS B 199 ? 0.1303 0.1720 0.0593 -0.0094 -0.0070 0.0030  218 HIS L CA  
3262 C  C   . HIS B 199 ? 0.1604 0.1748 0.0456 -0.0181 -0.0037 0.0116  218 HIS L C   
3263 O  O   . HIS B 199 ? 0.1657 0.1877 0.0342 -0.0150 -0.0126 0.0032  218 HIS L O   
3264 C  CB  . HIS B 199 ? 0.1396 0.1636 0.0576 -0.0200 -0.0068 0.0080  218 HIS L CB  
3265 C  CG  . HIS B 199 ? 0.1421 0.1617 0.0437 -0.0222 -0.0111 0.0006  218 HIS L CG  
3266 N  ND1 . HIS B 199 ? 0.1619 0.1544 0.0494 -0.0266 -0.0140 0.0000  218 HIS L ND1 
3267 C  CD2 . HIS B 199 ? 0.1505 0.1821 0.0307 -0.0272 -0.0163 0.0076  218 HIS L CD2 
3268 C  CE1 . HIS B 199 ? 0.1524 0.1586 0.0678 -0.0156 -0.0126 -0.0101 218 HIS L CE1 
3269 N  NE2 . HIS B 199 ? 0.1598 0.1680 0.0606 -0.0328 -0.0229 0.0047  218 HIS L NE2 
3270 N  N   . GLN B 200 ? 0.1840 0.1622 0.0584 -0.0323 -0.0248 0.0034  219 GLN L N   
3271 C  CA  . GLN B 200 ? 0.1867 0.1850 0.1075 -0.0317 -0.0358 0.0115  219 GLN L CA  
3272 C  C   . GLN B 200 ? 0.1718 0.1586 0.0761 -0.0204 -0.0290 0.0136  219 GLN L C   
3273 O  O   . GLN B 200 ? 0.2059 0.1914 0.0642 -0.0299 -0.0521 0.0024  219 GLN L O   
3274 C  CB  . GLN B 200 ? 0.2612 0.2327 0.2181 -0.0527 -0.0199 0.0215  219 GLN L CB  
3275 C  CG  . GLN B 200 ? 0.2851 0.2870 0.2459 -0.0760 -0.0212 0.0056  219 GLN L CG  
3276 C  CD  . GLN B 200 ? 0.3695 0.3137 0.2776 -0.1409 -0.0130 -0.0603 219 GLN L CD  
3277 O  OE1 . GLN B 200 ? 0.4259 0.4155 0.4183 -0.2117 0.0309  -0.1292 219 GLN L OE1 
3278 N  NE2 . GLN B 200 ? 0.4882 0.3193 0.3528 -0.1231 0.0028  -0.0524 219 GLN L NE2 
3279 N  N   . GLY B 201 ? 0.1635 0.1631 0.0583 -0.0028 -0.0375 0.0050  220 GLY L N   
3280 C  CA  . GLY B 201 ? 0.1600 0.1611 0.0434 -0.0043 -0.0326 -0.0217 220 GLY L CA  
3281 C  C   . GLY B 201 ? 0.1500 0.1687 0.0468 -0.0054 -0.0315 -0.0223 220 GLY L C   
3282 O  O   . GLY B 201 ? 0.1535 0.1770 0.0925 -0.0116 -0.0362 -0.0724 220 GLY L O   
3283 N  N   . LEU B 202 ? 0.1392 0.1376 0.0220 -0.0208 -0.0258 -0.0173 221 LEU L N   
3284 C  CA  . LEU B 202 ? 0.1621 0.1564 0.0203 -0.0331 -0.0162 -0.0261 221 LEU L CA  
3285 C  C   . LEU B 202 ? 0.2006 0.1861 0.0154 -0.0412 0.0128  -0.0162 221 LEU L C   
3286 O  O   . LEU B 202 ? 0.2573 0.2753 0.0557 -0.1193 0.0091  -0.0387 221 LEU L O   
3287 C  CB  . LEU B 202 ? 0.1591 0.1485 0.0589 -0.0334 -0.0143 -0.0214 221 LEU L CB  
3288 C  CG  . LEU B 202 ? 0.1573 0.1487 0.0774 -0.0172 -0.0213 -0.0017 221 LEU L CG  
3289 C  CD1 . LEU B 202 ? 0.1694 0.1715 0.1527 -0.0194 -0.0472 0.0059  221 LEU L CD1 
3290 C  CD2 . LEU B 202 ? 0.1586 0.1474 0.0658 -0.0196 -0.0307 -0.0164 221 LEU L CD2 
3291 N  N   . SER B 203 ? 0.1807 0.1969 0.0079 -0.0154 0.0082  -0.0158 222 SER L N   
3292 C  CA  . SER B 203 ? 0.1877 0.2073 0.0074 0.0006  -0.0010 -0.0150 222 SER L CA  
3293 C  C   . SER B 203 ? 0.1725 0.1878 0.0070 -0.0012 -0.0104 0.0041  222 SER L C   
3294 O  O   . SER B 203 ? 0.1838 0.1944 0.0063 -0.0043 0.0008  0.0009  222 SER L O   
3295 C  CB  . SER B 203 ? 0.1836 0.2563 0.0096 0.0447  -0.0196 -0.0213 222 SER L CB  
3296 O  OG  . SER B 203 ? 0.2138 0.2887 0.0182 0.0555  -0.0029 -0.0125 222 SER L OG  
3297 N  N   . SER B 204 ? 0.1899 0.1694 0.0067 -0.0034 -0.0033 -0.0069 223 SER L N   
3298 C  CA  . SER B 204 ? 0.1828 0.1743 0.0066 -0.0015 -0.0055 -0.0045 223 SER L CA  
3299 C  C   . SER B 204 ? 0.1770 0.1875 0.0066 0.0067  -0.0048 -0.0061 223 SER L C   
3300 O  O   . SER B 204 ? 0.2088 0.1831 0.0111 0.0114  0.0007  -0.0290 223 SER L O   
3301 C  CB  A SER B 204 ? 0.1705 0.1710 0.0067 0.0082  -0.0023 -0.0076 223 SER L CB  
3302 C  CB  B SER B 204 ? 0.2173 0.1978 0.0367 -0.0166 0.0122  -0.0252 223 SER L CB  
3303 O  OG  A SER B 204 ? 0.1619 0.1335 0.0065 0.0118  -0.0022 -0.0051 223 SER L OG  
3304 O  OG  B SER B 204 ? 0.2720 0.2351 0.1128 -0.0534 0.0238  0.0013  223 SER L OG  
3305 N  N   . PRO B 205 ? 0.1886 0.1965 0.0154 0.0134  0.0083  0.0047  224 PRO L N   
3306 C  CA  . PRO B 205 ? 0.1958 0.1895 0.0296 0.0198  -0.0064 0.0032  224 PRO L CA  
3307 C  C   . PRO B 205 ? 0.1614 0.1941 0.0529 0.0040  -0.0257 -0.0032 224 PRO L C   
3308 O  O   . PRO B 205 ? 0.2213 0.1917 0.0617 -0.0082 -0.0037 -0.0137 224 PRO L O   
3309 C  CB  . PRO B 205 ? 0.1990 0.2329 0.1029 0.0274  0.0108  0.0101  224 PRO L CB  
3310 C  CG  . PRO B 205 ? 0.2161 0.2597 0.0850 0.0251  0.0212  0.0011  224 PRO L CG  
3311 C  CD  . PRO B 205 ? 0.2211 0.2205 0.0464 0.0352  0.0294  0.0049  224 PRO L CD  
3312 N  N   . VAL B 206 ? 0.1782 0.1594 0.0482 0.0035  -0.0404 -0.0107 225 VAL L N   
3313 C  CA  . VAL B 206 ? 0.1816 0.1568 0.0837 0.0074  -0.0311 -0.0067 225 VAL L CA  
3314 C  C   . VAL B 206 ? 0.1860 0.1619 0.0691 0.0055  -0.0301 -0.0053 225 VAL L C   
3315 O  O   . VAL B 206 ? 0.1875 0.1916 0.1193 -0.0102 -0.0318 -0.0026 225 VAL L O   
3316 C  CB  . VAL B 206 ? 0.1871 0.1841 0.1152 0.0041  0.0007  -0.0007 225 VAL L CB  
3317 C  CG1 . VAL B 206 ? 0.2228 0.2110 0.1318 -0.0092 -0.0067 0.0032  225 VAL L CG1 
3318 C  CG2 . VAL B 206 ? 0.2084 0.2044 0.0938 0.0106  -0.0209 -0.0179 225 VAL L CG2 
3319 N  N   . THR B 207 ? 0.2197 0.1609 0.0899 0.0139  -0.0359 0.0012  226 THR L N   
3320 C  CA  . THR B 207 ? 0.2043 0.1700 0.1171 0.0201  -0.0270 0.0093  226 THR L CA  
3321 C  C   . THR B 207 ? 0.2126 0.1897 0.1259 -0.0006 -0.0263 -0.0012 226 THR L C   
3322 O  O   . THR B 207 ? 0.2367 0.2458 0.1433 -0.0169 -0.0330 0.0370  226 THR L O   
3323 C  CB  . THR B 207 ? 0.2731 0.1885 0.1725 0.0415  -0.0193 -0.0089 226 THR L CB  
3324 O  OG1 . THR B 207 ? 0.3077 0.2392 0.1431 0.0606  -0.0071 -0.0062 226 THR L OG1 
3325 C  CG2 . THR B 207 ? 0.3160 0.1989 0.2224 0.0654  -0.0096 -0.0100 226 THR L CG2 
3326 N  N   . LYS B 208 ? 0.2001 0.1764 0.1235 -0.0217 -0.0305 0.0064  227 LYS L N   
3327 C  CA  . LYS B 208 ? 0.2208 0.1872 0.1100 -0.0233 -0.0299 -0.0130 227 LYS L CA  
3328 C  C   . LYS B 208 ? 0.2520 0.1931 0.0994 -0.0178 -0.0255 -0.0063 227 LYS L C   
3329 O  O   . LYS B 208 ? 0.2553 0.1808 0.1280 -0.0232 -0.0407 0.0197  227 LYS L O   
3330 C  CB  . LYS B 208 ? 0.2606 0.2353 0.1257 -0.0557 -0.0316 -0.0373 227 LYS L CB  
3331 C  CG  . LYS B 208 ? 0.2726 0.2594 0.1630 -0.0529 -0.0301 -0.0394 227 LYS L CG  
3332 C  CD  . LYS B 208 ? 0.2760 0.3280 0.1842 -0.0574 -0.0387 -0.0518 227 LYS L CD  
3333 C  CE  . LYS B 208 ? 0.3246 0.3261 0.2110 -0.0753 -0.0465 -0.0423 227 LYS L CE  
3334 N  NZ  . LYS B 208 ? 0.3147 0.3179 0.2420 -0.0731 -0.0752 -0.0692 227 LYS L NZ  
3335 N  N   . SER B 209 ? 0.2835 0.1790 0.1546 -0.0116 -0.0231 -0.0264 228 SER L N   
3336 C  CA  . SER B 209 ? 0.3093 0.1833 0.1787 -0.0256 -0.0294 -0.0041 228 SER L CA  
3337 C  C   . SER B 209 ? 0.3319 0.1776 0.1909 -0.0274 -0.0393 0.0103  228 SER L C   
3338 O  O   . SER B 209 ? 0.3423 0.2132 0.2066 -0.0169 -0.0526 0.0218  228 SER L O   
3339 C  CB  . SER B 209 ? 0.3794 0.2425 0.2835 -0.0034 -0.0184 -0.0449 228 SER L CB  
3340 O  OG  . SER B 209 ? 0.4172 0.3035 0.3142 -0.0213 -0.0432 -0.0429 228 SER L OG  
3341 N  N   . PHE B 210 ? 0.3409 0.1808 0.1890 -0.0345 -0.0622 -0.0006 229 PHE L N   
3342 C  CA  . PHE B 210 ? 0.3799 0.1879 0.1995 -0.0337 -0.0571 0.0172  229 PHE L CA  
3343 C  C   . PHE B 210 ? 0.3816 0.1926 0.2026 -0.0268 -0.0734 0.0264  229 PHE L C   
3344 O  O   . PHE B 210 ? 0.3679 0.1900 0.1857 -0.0422 -0.0641 0.0074  229 PHE L O   
3345 C  CB  . PHE B 210 ? 0.3796 0.1849 0.1950 -0.0408 -0.0639 0.0107  229 PHE L CB  
3346 C  CG  . PHE B 210 ? 0.3689 0.1713 0.1840 -0.0132 -0.0662 0.0037  229 PHE L CG  
3347 C  CD1 . PHE B 210 ? 0.4027 0.1686 0.1905 -0.0150 -0.0790 0.0001  229 PHE L CD1 
3348 C  CD2 . PHE B 210 ? 0.3597 0.1434 0.1822 0.0095  -0.0471 -0.0055 229 PHE L CD2 
3349 C  CE1 . PHE B 210 ? 0.4166 0.1713 0.2197 0.0107  -0.0662 0.0052  229 PHE L CE1 
3350 C  CE2 . PHE B 210 ? 0.3641 0.1540 0.1964 0.0090  -0.0720 -0.0177 229 PHE L CE2 
3351 C  CZ  . PHE B 210 ? 0.4046 0.1810 0.1858 0.0070  -0.0561 -0.0071 229 PHE L CZ  
3352 N  N   . ASN B 211 ? 0.4497 0.1777 0.2390 -0.0435 -0.0837 -0.0018 230 ASN L N   
3353 C  CA  . ASN B 211 ? 0.4844 0.2151 0.2662 -0.0291 -0.0722 0.0054  230 ASN L CA  
3354 C  C   . ASN B 211 ? 0.4725 0.1829 0.2821 -0.0466 -0.0815 -0.0002 230 ASN L C   
3355 O  O   . ASN B 211 ? 0.4242 0.2639 0.3419 -0.0351 -0.0761 0.0526  230 ASN L O   
3356 C  CB  . ASN B 211 ? 0.5127 0.2322 0.3168 -0.0454 -0.1026 -0.0163 230 ASN L CB  
3357 C  CG  . ASN B 211 ? 0.5175 0.2879 0.3298 -0.0816 -0.1405 -0.0361 230 ASN L CG  
3358 O  OD1 . ASN B 211 ? 0.5845 0.4214 0.4475 -0.0660 -0.1860 -0.0447 230 ASN L OD1 
3359 N  ND2 . ASN B 211 ? 0.5090 0.4112 0.3362 -0.0902 -0.1593 -0.0737 230 ASN L ND2 
3360 N  N   . ARG B 212 ? 0.4878 0.1405 0.2644 -0.0299 -0.1000 0.0228  231 ARG L N   
3361 C  CA  . ARG B 212 ? 0.5349 0.1904 0.3214 -0.0266 -0.1207 0.0501  231 ARG L CA  
3362 C  C   . ARG B 212 ? 0.5733 0.2479 0.4496 -0.0468 -0.1029 0.0739  231 ARG L C   
3363 O  O   . ARG B 212 ? 0.6903 0.2162 0.5977 -0.0371 -0.1633 0.0491  231 ARG L O   
3364 C  CB  . ARG B 212 ? 0.5424 0.1636 0.2797 0.0223  -0.0972 0.0218  231 ARG L CB  
3365 C  CG  . ARG B 212 ? 0.5669 0.1928 0.2845 -0.0032 -0.1356 -0.0141 231 ARG L CG  
3366 C  CD  . ARG B 212 ? 0.5278 0.2189 0.2685 0.0229  -0.1607 -0.0134 231 ARG L CD  
3367 N  NE  . ARG B 212 ? 0.5718 0.2246 0.3619 0.0315  -0.1430 -0.0304 231 ARG L NE  
3368 C  CZ  . ARG B 212 ? 0.6307 0.2424 0.4014 0.0146  -0.0895 -0.0252 231 ARG L CZ  
3369 N  NH1 . ARG B 212 ? 0.6759 0.2631 0.5015 0.0020  -0.0582 0.0253  231 ARG L NH1 
3370 N  NH2 . ARG B 212 ? 0.6253 0.2315 0.4083 0.0532  -0.1290 -0.0574 231 ARG L NH2 
3371 N  N   . GLY B 213 ? 0.5005 0.3131 0.5399 -0.0556 -0.0621 0.1363  232 GLY L N   
3372 C  CA  . GLY B 213 ? 0.4933 0.3944 0.4890 -0.0506 -0.0515 0.1903  232 GLY L CA  
3373 C  C   . GLY B 213 ? 0.4985 0.4729 0.4946 -0.0474 -0.0658 0.2158  232 GLY L C   
3374 O  O   . GLY B 213 ? 0.5063 0.5372 0.5361 -0.1206 -0.0433 0.1968  232 GLY L O   
3375 N  N   . GLU B 214 ? 0.4350 0.5488 0.4263 -0.0021 -0.0874 0.2039  233 GLU L N   
3376 C  CA  . GLU B 214 ? 0.4332 0.5722 0.4568 -0.0174 -0.0842 0.1393  233 GLU L CA  
3377 C  C   . GLU B 214 ? 0.4185 0.6033 0.4942 -0.0549 -0.0278 0.1282  233 GLU L C   
3378 O  O   . GLU B 214 ? 0.4070 0.5826 0.4233 -0.0547 -0.0386 0.1686  233 GLU L O   
3379 C  CB  . GLU B 214 ? 0.4554 0.5451 0.4293 -0.0070 -0.1199 0.1168  233 GLU L CB  
3380 C  CG  . GLU B 214 ? 0.4764 0.5380 0.4220 0.0041  -0.0971 0.0573  233 GLU L CG  
3381 C  CD  . GLU B 214 ? 0.4505 0.4470 0.3991 -0.0199 -0.1024 -0.0136 233 GLU L CD  
3382 O  OE1 . GLU B 214 ? 0.4922 0.3782 0.3648 0.0672  -0.0658 -0.0099 233 GLU L OE1 
3383 O  OE2 . GLU B 214 ? 0.4244 0.4372 0.3900 -0.1026 -0.0113 -0.0238 233 GLU L OE2 
3384 N  N   . CYS B 215 ? 0.4406 0.4838 0.5817 -0.0956 -0.0116 0.0699  234 CYS L N   
3385 C  CA  . CYS B 215 ? 0.4471 0.3635 0.6092 -0.0776 -0.0037 0.0125  234 CYS L CA  
3386 C  C   . CYS B 215 ? 0.4752 0.2812 0.6932 -0.1055 0.0165  -0.1492 234 CYS L C   
3387 O  O   . CYS B 215 ? 0.7368 0.3682 0.4372 -0.1171 0.0118  -0.0016 234 CYS L O   
3388 C  CB  . CYS B 215 ? 0.4166 0.4011 0.5878 -0.0772 -0.0203 0.0223  234 CYS L CB  
3389 S  SG  . CYS B 215 ? 0.4956 0.4581 0.6322 -0.0010 -0.0707 -0.0725 234 CYS L SG  
3390 S  S   . SO4 C .   ? 0.2985 0.3717 0.0967 -0.0305 -0.0009 -0.0967 301 SO4 H S   
3391 O  O1  . SO4 C .   ? 0.4582 0.4063 0.2469 0.0286  0.0114  -0.1588 301 SO4 H O1  
3392 O  O2  . SO4 C .   ? 0.2696 0.3872 0.0800 0.0652  0.0084  -0.0568 301 SO4 H O2  
3393 O  O3  . SO4 C .   ? 0.3261 0.5081 0.1398 -0.0324 0.0292  -0.0362 301 SO4 H O3  
3394 O  O4  . SO4 C .   ? 0.3435 0.4896 0.1126 -0.0510 -0.0418 -0.0972 301 SO4 H O4  
3395 S  S   . SO4 D .   ? 0.3766 0.3217 0.2351 0.0914  0.0757  -0.0879 302 SO4 H S   
3396 O  O1  . SO4 D .   ? 0.3633 0.3784 0.3299 0.0176  0.0879  -0.1037 302 SO4 H O1  
3397 O  O2  . SO4 D .   ? 0.4198 0.3479 0.4317 -0.0449 0.2052  -0.0071 302 SO4 H O2  
3398 O  O3  . SO4 D .   ? 0.2837 0.2762 0.4008 0.0009  0.1042  -0.1076 302 SO4 H O3  
3399 O  O4  . SO4 D .   ? 0.2469 0.2637 0.2904 -0.0632 0.1643  -0.0958 302 SO4 H O4  
3400 S  S   . SO4 E .   ? 0.4242 0.3273 0.3084 0.0288  -0.0498 -0.0279 303 SO4 H S   
3401 O  O1  . SO4 E .   ? 0.5312 0.4669 0.3715 0.1082  0.0418  0.0018  303 SO4 H O1  
3402 O  O2  . SO4 E .   ? 0.2314 0.2433 0.2460 0.0138  -0.0880 -0.0277 303 SO4 H O2  
3403 O  O3  . SO4 E .   ? 0.4764 0.3069 0.5244 -0.0206 -0.1205 0.0346  303 SO4 H O3  
3404 O  O4  . SO4 E .   ? 0.5049 0.5000 0.3214 0.1060  -0.0880 0.0323  303 SO4 H O4  
3405 S  S   . SO4 F .   ? 0.3669 0.4228 0.1675 -0.0484 0.1146  -0.1647 304 SO4 H S   
3406 O  O1  . SO4 F .   ? 0.3727 0.5696 0.2053 -0.2255 0.2364  -0.2657 304 SO4 H O1  
3407 O  O2  . SO4 F .   ? 0.1678 0.4150 0.3634 -0.0646 0.0591  -0.1069 304 SO4 H O2  
3408 O  O3  . SO4 F .   ? 0.3306 0.5260 0.3188 -0.0916 0.1091  -0.1675 304 SO4 H O3  
3409 O  O4  . SO4 F .   ? 0.3857 0.5299 0.3147 -0.1089 0.1431  -0.1872 304 SO4 H O4  
3410 S  S   . SO4 G .   ? 0.3454 0.3415 0.1595 -0.0372 -0.0419 0.1314  305 SO4 H S   
3411 O  O1  . SO4 G .   ? 0.3775 0.3345 0.2089 -0.0017 -0.0081 0.1516  305 SO4 H O1  
3412 O  O2  . SO4 G .   ? 0.3667 0.3670 0.1408 -0.0010 -0.0522 0.1381  305 SO4 H O2  
3413 O  O3  . SO4 G .   ? 0.4201 0.3266 0.2240 -0.0083 0.0139  0.1047  305 SO4 H O3  
3414 O  O4  . SO4 G .   ? 0.3500 0.4507 0.2559 -0.0467 -0.0746 0.0747  305 SO4 H O4  
3415 S  S   . SO4 H .   ? 0.3333 0.4020 0.1464 -0.0256 -0.0254 0.0590  306 SO4 H S   
3416 O  O1  . SO4 H .   ? 0.4157 0.4554 0.2769 -0.0562 0.1169  0.0251  306 SO4 H O1  
3417 O  O2  . SO4 H .   ? 0.3325 0.4679 0.2782 -0.0278 -0.0610 0.0778  306 SO4 H O2  
3418 O  O3  . SO4 H .   ? 0.2169 0.3420 0.1554 -0.0128 0.0098  0.0299  306 SO4 H O3  
3419 O  O4  . SO4 H .   ? 0.3811 0.3997 0.2643 -0.0064 -0.0866 0.0383  306 SO4 H O4  
3420 S  S   . SO4 I .   ? 0.2974 0.6135 0.3154 0.0047  -0.0001 0.1252  307 SO4 H S   
3421 O  O1  . SO4 I .   ? 0.2383 0.5084 0.1876 -0.0374 -0.0723 0.0211  307 SO4 H O1  
3422 O  O2  . SO4 I .   ? 0.3221 0.4791 0.2214 0.0430  -0.0096 0.1325  307 SO4 H O2  
3423 O  O3  . SO4 I .   ? 0.3390 0.6459 0.3550 0.0141  0.0115  0.0777  307 SO4 H O3  
3424 O  O4  . SO4 I .   ? 0.3075 0.6097 0.3561 -0.0159 -0.0037 0.0585  307 SO4 H O4  
3425 S  S   . SO4 J .   ? 0.3579 0.6125 0.3061 0.0718  0.1376  -0.0543 308 SO4 H S   
3426 O  O1  . SO4 J .   ? 0.3051 0.5212 0.0478 0.1253  0.0124  -0.0298 308 SO4 H O1  
3427 O  O2  . SO4 J .   ? 0.1650 0.5400 0.2561 0.1869  0.0505  -0.0870 308 SO4 H O2  
3428 O  O3  . SO4 J .   ? 0.1844 0.5590 0.3381 0.0990  0.0023  0.0798  308 SO4 H O3  
3429 O  O4  . SO4 J .   ? 0.4034 0.5384 0.1741 0.0275  -0.0909 0.0847  308 SO4 H O4  
3430 S  S   . SO4 K .   ? 0.2853 0.2611 0.2339 -0.0186 0.0073  -0.0763 309 SO4 H S   
3431 O  O1  . SO4 K .   ? 0.2085 0.2630 0.3523 0.0091  0.0090  -0.1407 309 SO4 H O1  
3432 O  O2  . SO4 K .   ? 0.2735 0.2610 0.2752 -0.0041 0.0241  -0.1456 309 SO4 H O2  
3433 O  O3  . SO4 K .   ? 0.3530 0.3025 0.3161 -0.0110 0.0097  -0.1940 309 SO4 H O3  
3434 O  O4  . SO4 K .   ? 0.3843 0.1765 0.1900 -0.0402 -0.0892 -0.1208 309 SO4 H O4  
3435 NA NA  . NA  L .   ? 0.8191 0.9597 0.3407 0.2563  -0.2702 -0.0287 310 NA  H NA  
3436 S  S   . SO4 M .   ? 0.2119 0.2899 0.0641 0.0045  0.0158  0.0227  301 SO4 L S   
3437 O  O1  . SO4 M .   ? 0.2303 0.4404 0.0816 -0.0569 -0.0077 0.0618  301 SO4 L O1  
3438 O  O2  . SO4 M .   ? 0.3386 0.4630 0.1537 0.0197  0.0689  -0.0120 301 SO4 L O2  
3439 O  O3  . SO4 M .   ? 0.4035 0.3696 0.2949 0.0706  0.0089  0.0370  301 SO4 L O3  
3440 O  O4  . SO4 M .   ? 0.4692 0.4083 0.2839 -0.0551 -0.0547 0.0227  301 SO4 L O4  
3441 S  S   . SO4 N .   ? 0.3705 0.3359 0.3763 0.0491  0.0035  -0.0511 302 SO4 L S   
3442 O  O1  . SO4 N .   ? 0.4351 0.3137 0.4904 0.0436  0.0903  -0.0264 302 SO4 L O1  
3443 O  O2  . SO4 N .   ? 0.3117 0.5023 0.2834 0.1082  0.0427  0.0190  302 SO4 L O2  
3444 O  O3  . SO4 N .   ? 0.4858 0.3408 0.3149 0.0540  0.0740  -0.0021 302 SO4 L O3  
3445 O  O4  . SO4 N .   ? 0.3430 0.3889 0.5846 -0.0018 0.0066  -0.1725 302 SO4 L O4  
3446 S  S   . SO4 O .   ? 0.5185 0.5643 0.3816 -0.0992 0.1660  -0.0332 303 SO4 L S   
3447 O  O1  . SO4 O .   ? 0.5304 0.5923 0.3278 -0.0408 0.1367  0.0113  303 SO4 L O1  
3448 O  O2  . SO4 O .   ? 0.6212 0.5535 0.3082 -0.1286 0.1527  -0.0560 303 SO4 L O2  
3449 O  O3  . SO4 O .   ? 0.2916 0.4487 0.0706 -0.1550 0.0513  -0.0200 303 SO4 L O3  
3450 O  O4  . SO4 O .   ? 0.5003 0.4355 0.4135 -0.1764 0.2158  0.0581  303 SO4 L O4  
3451 S  S   . SO4 P .   ? 0.4035 0.3049 0.1315 0.1468  0.0645  0.0101  304 SO4 L S   
3452 O  O1  . SO4 P .   ? 0.4119 0.3840 0.1853 0.1751  0.0381  0.0541  304 SO4 L O1  
3453 O  O2  . SO4 P .   ? 0.4439 0.3257 0.0956 0.1628  0.0676  -0.0021 304 SO4 L O2  
3454 O  O3  . SO4 P .   ? 0.4343 0.2509 0.2305 0.1052  0.0155  0.0462  304 SO4 L O3  
3455 O  O4  . SO4 P .   ? 0.4790 0.3822 0.2362 0.0817  0.0716  0.0458  304 SO4 L O4  
3456 S  S   . SO4 Q .   ? 0.6325 0.3783 0.3231 -0.0535 0.0952  -0.0237 305 SO4 L S   
3457 O  O1  . SO4 Q .   ? 0.8522 0.3812 0.4822 -0.0014 0.0557  -0.0668 305 SO4 L O1  
3458 O  O2  . SO4 Q .   ? 0.8020 0.5976 0.3348 -0.1097 -0.0481 -0.0351 305 SO4 L O2  
3459 O  O3  . SO4 Q .   ? 0.6551 0.5903 0.4920 -0.1368 0.1763  0.0679  305 SO4 L O3  
3460 O  O4  . SO4 Q .   ? 0.4771 0.3109 0.3990 -0.0976 0.0442  -0.0415 305 SO4 L O4  
3461 S  S   . SO4 R .   ? 0.1459 0.1890 0.0380 -0.0015 -0.0271 0.0019  306 SO4 L S   
3462 O  O1  . SO4 R .   ? 0.1150 0.3047 0.0846 -0.0265 -0.0515 -0.0139 306 SO4 L O1  
3463 O  O2  . SO4 R .   ? 0.1767 0.2279 0.1020 0.0181  -0.0341 0.0172  306 SO4 L O2  
3464 O  O3  . SO4 R .   ? 0.1812 0.2126 0.1495 -0.0041 -0.0304 0.0084  306 SO4 L O3  
3465 O  O4  . SO4 R .   ? 0.2437 0.2351 0.0465 0.0265  -0.0490 -0.0210 306 SO4 L O4  
3466 S  S   . SO4 S .   ? 0.4308 0.3891 0.7048 -0.0102 -0.2429 -0.0185 307 SO4 L S   
3467 O  O1  . SO4 S .   ? 0.4060 0.4224 0.7631 0.0737  -0.2101 0.0793  307 SO4 L O1  
3468 O  O2  . SO4 S .   ? 0.4010 0.2253 0.6446 -0.0205 -0.3018 0.0776  307 SO4 L O2  
3469 O  O3  . SO4 S .   ? 0.4163 0.4300 0.5612 0.0589  -0.2716 -0.1084 307 SO4 L O3  
3470 O  O4  . SO4 S .   ? 0.6402 0.3869 0.9590 -0.0667 -0.2406 0.0150  307 SO4 L O4  
3471 S  S   . SO4 T .   ? 0.9784 0.9556 0.8746 -0.2398 0.1157  0.1198  308 SO4 L S   
3472 O  O1  . SO4 T .   ? 0.9762 0.8032 0.6001 -0.1242 0.1716  0.0421  308 SO4 L O1  
3473 O  O2  . SO4 T .   ? 0.9534 0.5631 0.3478 -0.1677 0.0448  0.0382  308 SO4 L O2  
3474 O  O3  . SO4 T .   ? 0.8832 1.0078 0.8421 -0.3312 0.1964  0.1338  308 SO4 L O3  
3475 O  O4  . SO4 T .   ? 1.0183 0.9399 1.0192 -0.2573 0.1562  0.0297  308 SO4 L O4  
3476 O  O   . HOH U .   ? 0.5606 0.4243 0.4413 -0.2412 -0.0426 -0.0952 401 HOH H O   
3477 O  O   . HOH U .   ? 0.2827 0.1932 0.1086 0.1248  0.0105  0.0712  402 HOH H O   
3478 O  O   . HOH U .   ? 0.4131 0.5217 0.3006 -0.0535 0.0436  -0.1815 403 HOH H O   
3479 O  O   . HOH U .   ? 0.2553 0.2075 0.2507 0.0445  0.0376  0.0534  404 HOH H O   
3480 O  O   . HOH U .   ? 0.3497 0.9401 0.4292 0.0791  0.3325  -0.1751 405 HOH H O   
3481 O  O   . HOH U .   ? 0.1837 0.3325 0.0802 0.0387  0.0152  0.0563  406 HOH H O   
3482 O  O   . HOH U .   ? 0.5459 0.7138 0.5094 -0.0478 -0.0273 -0.2828 407 HOH H O   
3483 O  O   . HOH U .   ? 0.8215 1.7551 0.4164 -0.5114 -0.0212 -0.7514 408 HOH H O   
3484 O  O   . HOH U .   ? 0.4078 0.5980 0.3070 -0.1588 -0.0917 -0.0292 409 HOH H O   
3485 O  O   . HOH U .   ? 0.6963 0.5994 0.3421 0.2057  0.1415  0.0635  410 HOH H O   
3486 O  O   . HOH U .   ? 0.5433 0.6086 0.4760 0.0341  0.1539  -0.0415 411 HOH H O   
3487 O  O   . HOH U .   ? 0.3068 0.6403 0.4202 0.0357  -0.0558 0.1078  412 HOH H O   
3488 O  O   . HOH U .   ? 0.4638 0.8665 0.4219 -0.2840 0.0310  -0.2048 413 HOH H O   
3489 O  O   . HOH U .   ? 0.7757 0.2623 0.2909 0.0697  -0.1676 -0.0391 414 HOH H O   
3490 O  O   . HOH U .   ? 0.8862 0.4763 0.4010 -0.1335 -0.2063 0.0589  415 HOH H O   
3491 O  O   . HOH U .   ? 0.4629 0.5621 0.3596 0.1354  0.0020  -0.0250 416 HOH H O   
3492 O  O   . HOH U .   ? 0.3163 0.2642 0.1077 0.0870  -0.0298 -0.0357 417 HOH H O   
3493 O  O   . HOH U .   ? 0.7134 0.4147 0.2604 -0.2111 0.0491  -0.1128 418 HOH H O   
3494 O  O   . HOH U .   ? 0.5836 0.4315 0.5034 -0.1605 -0.2152 -0.0630 419 HOH H O   
3495 O  O   . HOH U .   ? 0.4164 0.3456 0.1357 0.0886  0.0023  -0.0660 420 HOH H O   
3496 O  O   . HOH U .   ? 0.4344 0.7211 0.2678 -0.0808 0.0039  -0.0238 421 HOH H O   
3497 O  O   . HOH U .   ? 0.3461 0.6757 0.2378 -0.0159 0.0101  -0.1767 422 HOH H O   
3498 O  O   . HOH U .   ? 0.2146 0.1932 0.0712 0.0087  -0.0018 0.0043  423 HOH H O   
3499 O  O   . HOH U .   ? 0.3381 0.3751 0.1498 -0.0010 0.0129  -0.0070 424 HOH H O   
3500 O  O   . HOH U .   ? 0.6420 0.4185 0.3608 0.0030  -0.1018 0.0981  425 HOH H O   
3501 O  O   . HOH U .   ? 0.6354 0.4127 0.7390 0.1082  -0.0726 -0.1967 426 HOH H O   
3502 O  O   . HOH U .   ? 0.4638 0.5853 0.3172 0.0770  -0.0124 -0.1453 427 HOH H O   
3503 O  O   . HOH U .   ? 0.2633 0.2802 0.0916 0.0216  -0.0128 -0.0168 428 HOH H O   
3504 O  O   . HOH U .   ? 0.8581 0.6922 0.3535 -0.2258 0.0133  -0.1177 429 HOH H O   
3505 O  O   . HOH U .   ? 0.3151 0.4572 0.4336 -0.0020 -0.0986 0.1470  430 HOH H O   
3506 O  O   . HOH U .   ? 0.4029 0.3802 0.2808 -0.0316 0.0220  0.0154  431 HOH H O   
3507 O  O   . HOH U .   ? 0.3199 0.1729 0.1283 0.0146  0.0143  0.0311  432 HOH H O   
3508 O  O   . HOH U .   ? 0.3784 0.5260 0.2145 0.0522  -0.0824 0.0264  433 HOH H O   
3509 O  O   . HOH U .   ? 0.5639 0.4577 0.3211 -0.0537 -0.1014 0.1179  434 HOH H O   
3510 O  O   . HOH U .   ? 0.7170 0.4486 0.5170 -0.0597 -0.0531 -0.1699 435 HOH H O   
3511 O  O   . HOH U .   ? 0.2611 0.5691 0.3864 0.1191  -0.0297 -0.0236 436 HOH H O   
3512 O  O   . HOH U .   ? 0.3130 0.2799 0.2004 -0.0163 -0.1090 0.0629  437 HOH H O   
3513 O  O   . HOH U .   ? 1.0616 0.3948 0.6245 -0.4159 -0.0729 -0.0126 438 HOH H O   
3514 O  O   . HOH U .   ? 0.8253 0.9278 0.5782 0.1355  0.2151  -0.1571 439 HOH H O   
3515 O  O   . HOH U .   ? 0.3063 0.3022 0.0587 -0.0336 -0.0068 0.0057  440 HOH H O   
3516 O  O   . HOH U .   ? 0.7032 0.5621 0.3883 -0.1567 -0.0615 0.1197  441 HOH H O   
3517 O  O   . HOH U .   ? 0.4239 0.4177 0.1904 0.0301  0.0587  -0.0284 442 HOH H O   
3518 O  O   . HOH U .   ? 0.3953 0.5228 0.4208 -0.2323 0.0838  -0.0499 443 HOH H O   
3519 O  O   . HOH U .   ? 0.4556 0.3460 0.1988 -0.0367 -0.0003 -0.1022 444 HOH H O   
3520 O  O   . HOH U .   ? 0.2272 0.1653 0.0898 0.0334  -0.0537 -0.0511 445 HOH H O   
3521 O  O   . HOH U .   ? 0.3764 0.6808 0.2195 -0.1724 0.0236  0.0073  446 HOH H O   
3522 O  O   . HOH U .   ? 0.1944 0.2366 0.0212 -0.0256 -0.0195 0.0004  447 HOH H O   
3523 O  O   . HOH U .   ? 0.3967 0.5077 0.2556 -0.0629 0.0527  -0.1348 448 HOH H O   
3524 O  O   . HOH U .   ? 0.3660 0.2683 0.2515 -0.0539 -0.1478 0.0210  449 HOH H O   
3525 O  O   . HOH U .   ? 0.5749 0.3565 0.6169 -0.0034 0.1666  -0.0897 450 HOH H O   
3526 O  O   . HOH U .   ? 0.5201 0.3859 0.2146 0.1472  -0.1829 -0.0341 451 HOH H O   
3527 O  O   . HOH U .   ? 0.1461 0.1315 0.0096 0.0218  0.0106  -0.0110 452 HOH H O   
3528 O  O   . HOH U .   ? 0.4578 0.7899 0.4767 -0.1526 0.2260  -0.2568 453 HOH H O   
3529 O  O   . HOH U .   ? 0.5066 0.5028 0.9092 0.0541  -0.2313 0.1663  454 HOH H O   
3530 O  O   . HOH U .   ? 0.4939 0.3644 0.1655 -0.1024 -0.0172 0.0306  455 HOH H O   
3531 O  O   . HOH U .   ? 0.1984 0.2203 0.1056 -0.0029 0.0312  0.0336  456 HOH H O   
3532 O  O   . HOH U .   ? 0.8848 0.3207 0.2747 -0.0685 0.1276  0.0220  457 HOH H O   
3533 O  O   . HOH U .   ? 0.5663 0.3938 0.2526 0.1453  -0.0067 -0.1196 458 HOH H O   
3534 O  O   . HOH U .   ? 0.4006 0.3929 0.3374 -0.0061 -0.0251 -0.0439 459 HOH H O   
3535 O  O   . HOH U .   ? 0.2631 0.2185 0.0651 0.0034  -0.0016 -0.0108 460 HOH H O   
3536 O  O   . HOH U .   ? 0.3900 0.2734 0.2553 -0.0903 -0.1240 0.0586  461 HOH H O   
3537 O  O   . HOH U .   ? 0.2684 0.2191 0.2148 0.0176  -0.0613 0.0399  462 HOH H O   
3538 O  O   . HOH U .   ? 0.4387 0.4613 0.5063 -0.1873 -0.0689 0.2472  463 HOH H O   
3539 O  O   . HOH U .   ? 0.2635 0.2491 0.3194 -0.0190 0.0443  0.0003  464 HOH H O   
3540 O  O   . HOH U .   ? 0.3096 0.2850 0.1305 0.0705  0.0388  0.0239  465 HOH H O   
3541 O  O   . HOH U .   ? 0.2855 0.4182 0.1682 0.0011  -0.0108 -0.0215 466 HOH H O   
3542 O  O   . HOH U .   ? 0.2454 0.2230 0.0850 0.0189  -0.0222 -0.0159 467 HOH H O   
3543 O  O   . HOH U .   ? 0.2310 0.1547 0.1113 -0.0179 0.0143  -0.0145 468 HOH H O   
3544 O  O   . HOH U .   ? 0.4842 0.5728 0.6658 -0.0448 -0.3224 0.2283  469 HOH H O   
3545 O  O   . HOH U .   ? 0.2812 0.2857 0.4193 -0.0533 0.1322  -0.0599 470 HOH H O   
3546 O  O   . HOH U .   ? 0.3058 0.4652 0.2600 -0.1038 -0.0302 -0.1038 471 HOH H O   
3547 O  O   . HOH U .   ? 0.4340 0.5151 0.1481 -0.1491 -0.0622 0.0572  472 HOH H O   
3548 O  O   . HOH U .   ? 0.4610 0.2798 0.1808 -0.0094 -0.0006 -0.0845 473 HOH H O   
3549 O  O   . HOH U .   ? 0.3878 0.7107 0.2380 -0.1327 -0.0032 0.0420  474 HOH H O   
3550 O  O   . HOH U .   ? 0.3995 0.3507 0.3452 -0.0475 -0.0002 -0.0996 475 HOH H O   
3551 O  O   . HOH U .   ? 0.1967 0.1467 0.1286 0.0130  -0.0367 0.0186  476 HOH H O   
3552 O  O   . HOH U .   ? 0.4473 0.3278 0.4142 -0.0212 0.0625  0.0973  477 HOH H O   
3553 O  O   . HOH U .   ? 0.5976 0.5311 0.3426 0.2023  0.0537  0.1580  478 HOH H O   
3554 O  O   . HOH U .   ? 0.8514 0.4312 0.5338 -0.0592 -0.1396 -0.1394 479 HOH H O   
3555 O  O   . HOH U .   ? 0.4274 0.3760 0.2953 -0.1054 -0.0474 0.0687  480 HOH H O   
3556 O  O   . HOH U .   ? 0.2346 0.2178 0.2209 -0.0048 -0.0463 0.0577  481 HOH H O   
3557 O  O   . HOH U .   ? 0.2257 0.2197 0.1420 -0.0482 0.0028  -0.0064 482 HOH H O   
3558 O  O   . HOH U .   ? 0.2354 0.2468 0.1995 -0.0865 -0.0100 0.0347  483 HOH H O   
3559 O  O   . HOH U .   ? 0.4486 0.6309 0.7967 -0.0115 -0.0081 -0.0096 484 HOH H O   
3560 O  O   . HOH U .   ? 0.1478 0.1444 0.0673 0.0145  0.0125  -0.0042 485 HOH H O   
3561 O  O   . HOH U .   ? 0.6816 0.4512 0.2769 0.3275  0.0790  0.1029  486 HOH H O   
3562 O  O   . HOH U .   ? 0.3053 0.2744 0.1771 0.0137  -0.0321 -0.0069 487 HOH H O   
3563 O  O   . HOH U .   ? 0.2996 0.2758 0.2173 0.0299  -0.0307 0.0688  488 HOH H O   
3564 O  O   . HOH U .   ? 0.4324 0.5648 0.3561 0.0984  -0.0757 0.0337  489 HOH H O   
3565 O  O   . HOH U .   ? 0.2693 0.1612 0.0147 0.0299  -0.0398 0.0018  490 HOH H O   
3566 O  O   . HOH U .   ? 0.4105 0.4386 0.1940 -0.0566 -0.0121 0.0370  491 HOH H O   
3567 O  O   . HOH U .   ? 0.2451 0.2171 0.0661 0.0666  -0.0071 0.0295  492 HOH H O   
3568 O  O   . HOH U .   ? 0.4224 0.2652 0.2446 0.0221  -0.0603 -0.0248 493 HOH H O   
3569 O  O   . HOH U .   ? 0.2505 0.3708 0.0382 0.0152  0.0070  -0.0464 494 HOH H O   
3570 O  O   . HOH U .   ? 0.5474 0.4327 0.2724 0.2364  -0.1419 -0.0861 495 HOH H O   
3571 O  O   . HOH U .   ? 0.1772 0.1869 0.1769 0.0187  0.0750  -0.0409 496 HOH H O   
3572 O  O   . HOH U .   ? 1.2200 0.5428 0.2151 0.0708  -0.0735 -0.2319 497 HOH H O   
3573 O  O   . HOH U .   ? 0.3909 0.2488 0.4486 0.0257  0.0274  -0.0819 498 HOH H O   
3574 O  O   . HOH U .   ? 0.5256 0.4886 0.3180 0.0466  0.1633  0.0315  499 HOH H O   
3575 O  O   . HOH U .   ? 0.6854 0.6141 0.2720 0.2980  0.1108  0.0309  500 HOH H O   
3576 O  O   . HOH U .   ? 0.2856 0.3057 0.0721 0.0390  0.0796  0.0169  501 HOH H O   
3577 O  O   . HOH U .   ? 0.7413 0.8296 0.6448 -0.0634 0.1376  -0.1187 502 HOH H O   
3578 O  O   . HOH U .   ? 0.6118 0.4807 0.2201 -0.1107 -0.0613 -0.0066 503 HOH H O   
3579 O  O   . HOH U .   ? 0.1908 0.2267 0.1158 0.0108  -0.0080 0.0140  504 HOH H O   
3580 O  O   . HOH U .   ? 0.3889 0.2105 0.5817 -0.0114 0.1476  -0.0170 505 HOH H O   
3581 O  O   . HOH U .   ? 0.4081 0.7405 0.5870 -0.1130 -0.1120 0.3547  506 HOH H O   
3582 O  O   . HOH U .   ? 0.5953 0.4283 0.3790 -0.0178 -0.0397 0.1781  507 HOH H O   
3583 O  O   . HOH U .   ? 0.7007 0.5382 0.4376 -0.0487 -0.0374 0.1414  508 HOH H O   
3584 O  O   . HOH U .   ? 0.2488 0.4116 0.2109 0.0193  -0.0109 -0.0297 509 HOH H O   
3585 O  O   . HOH U .   ? 0.3218 0.4006 0.1653 -0.0710 -0.1407 -0.0078 510 HOH H O   
3586 O  O   . HOH U .   ? 0.4041 0.7314 0.2719 -0.0655 -0.0273 0.2329  511 HOH H O   
3587 O  O   . HOH U .   ? 0.3506 0.2067 0.1156 0.0448  -0.0211 0.0342  512 HOH H O   
3588 O  O   . HOH U .   ? 0.4151 0.3574 0.1961 0.0395  -0.0204 -0.0312 513 HOH H O   
3589 O  O   . HOH U .   ? 0.5622 0.3547 0.5497 -0.0125 -0.1244 0.0874  514 HOH H O   
3590 O  O   . HOH U .   ? 0.5271 0.3164 0.5543 0.0049  -0.0910 0.0154  515 HOH H O   
3591 O  O   . HOH U .   ? 0.2693 0.4916 0.2498 -0.0609 0.0003  -0.1354 516 HOH H O   
3592 O  O   . HOH U .   ? 0.3725 0.7015 0.2245 0.0383  0.0321  0.1299  517 HOH H O   
3593 O  O   . HOH U .   ? 0.5336 0.5225 0.4051 -0.0346 -0.0033 -0.2036 518 HOH H O   
3594 O  O   . HOH U .   ? 0.5458 0.3352 0.3716 0.0363  -0.1266 0.0657  519 HOH H O   
3595 O  O   . HOH U .   ? 0.2263 0.2928 0.2326 -0.0401 0.0764  -0.0211 520 HOH H O   
3596 O  O   . HOH U .   ? 0.4550 0.6575 0.2470 0.0893  -0.2243 -0.0992 521 HOH H O   
3597 O  O   . HOH U .   ? 0.4581 0.3946 0.4869 -0.0729 0.0181  0.0614  522 HOH H O   
3598 O  O   . HOH U .   ? 0.4115 0.6408 0.2115 0.2683  0.0750  0.0172  523 HOH H O   
3599 O  O   . HOH U .   ? 0.5370 0.2630 0.2151 -0.0397 -0.0881 0.0145  524 HOH H O   
3600 O  O   . HOH U .   ? 0.2397 0.4037 0.0273 0.0347  0.0002  0.0544  525 HOH H O   
3601 O  O   . HOH U .   ? 0.1833 0.1518 0.0340 0.0088  -0.0371 -0.0155 526 HOH H O   
3602 O  O   . HOH U .   ? 0.5741 1.7567 0.4432 -0.2352 0.0076  0.8465  527 HOH H O   
3603 O  O   . HOH U .   ? 0.3209 0.3410 0.1436 -0.0805 -0.1111 0.0125  528 HOH H O   
3604 O  O   . HOH U .   ? 0.3901 0.3746 0.4699 0.0158  -0.1482 0.0776  529 HOH H O   
3605 O  O   . HOH U .   ? 0.8092 0.8530 0.2525 -0.3365 0.0888  -0.0947 530 HOH H O   
3606 O  O   . HOH U .   ? 0.4293 0.7363 0.4052 0.0077  -0.0203 -0.0850 531 HOH H O   
3607 O  O   . HOH U .   ? 0.1648 0.1918 0.0709 0.0017  0.0206  -0.0031 532 HOH H O   
3608 O  O   . HOH U .   ? 0.3149 0.3443 0.1567 0.0471  0.0373  0.0018  533 HOH H O   
3609 O  O   . HOH U .   ? 0.6411 0.4403 0.5416 0.1927  0.0751  0.0318  534 HOH H O   
3610 O  O   . HOH U .   ? 0.4711 0.3554 0.2887 0.0181  -0.0303 0.0736  535 HOH H O   
3611 O  O   . HOH U .   ? 0.4123 0.4254 0.3697 -0.0782 0.0140  0.0906  536 HOH H O   
3612 O  O   . HOH U .   ? 0.4131 0.2965 0.2743 0.0251  -0.0852 0.0217  537 HOH H O   
3613 O  O   . HOH U .   ? 0.3161 0.2654 0.2705 0.1096  0.0436  0.0338  538 HOH H O   
3614 O  O   . HOH U .   ? 0.3650 0.3601 0.1257 0.0135  0.0193  0.0636  539 HOH H O   
3615 O  O   . HOH U .   ? 0.2405 0.2933 0.2647 0.0335  0.0155  -0.0089 540 HOH H O   
3616 O  O   . HOH U .   ? 0.3533 0.5264 0.3169 -0.0450 -0.0511 -0.1959 541 HOH H O   
3617 O  O   . HOH U .   ? 0.3571 0.3846 0.2421 0.0501  0.0000  -0.0340 542 HOH H O   
3618 O  O   . HOH U .   ? 0.5117 0.5980 0.3329 -0.1823 -0.0797 0.2088  543 HOH H O   
3619 O  O   . HOH U .   ? 0.2371 0.2551 0.1422 0.0125  0.0243  -0.0051 544 HOH H O   
3620 O  O   . HOH U .   ? 0.3736 0.2571 0.4408 0.0194  -0.0763 -0.0990 545 HOH H O   
3621 O  O   . HOH U .   ? 0.3878 0.5989 0.4086 -0.1017 0.0360  -0.1723 546 HOH H O   
3622 O  O   . HOH U .   ? 0.5177 0.3954 0.1806 -0.0561 -0.0085 -0.0821 547 HOH H O   
3623 O  O   . HOH U .   ? 0.1746 0.2495 0.1380 0.0119  -0.0163 -0.0610 548 HOH H O   
3624 O  O   . HOH U .   ? 0.3593 0.3215 0.1041 -0.0925 -0.0561 0.0369  549 HOH H O   
3625 O  O   . HOH U .   ? 0.6816 0.7426 0.2167 0.0839  -0.0107 -0.1671 550 HOH H O   
3626 O  O   . HOH U .   ? 0.5310 0.2265 0.2369 -0.0442 0.0159  -0.0799 551 HOH H O   
3627 O  O   . HOH U .   ? 0.3131 0.3156 0.2345 0.0364  -0.0231 0.1485  552 HOH H O   
3628 O  O   . HOH U .   ? 0.4644 0.7018 0.7982 0.1182  0.0503  -0.0768 553 HOH H O   
3629 O  O   . HOH U .   ? 0.7701 0.4034 0.6391 0.0416  0.2127  0.0295  554 HOH H O   
3630 O  O   . HOH U .   ? 0.4521 0.4487 0.2421 0.0251  -0.1449 0.0018  555 HOH H O   
3631 O  O   . HOH U .   ? 0.3778 0.5525 0.2686 -0.0194 0.1374  -0.0842 556 HOH H O   
3632 O  O   . HOH U .   ? 0.3394 0.4226 0.7139 0.0470  -0.2406 0.0325  557 HOH H O   
3633 O  O   . HOH U .   ? 0.3919 0.3501 0.2189 -0.0250 -0.0173 0.0537  558 HOH H O   
3634 O  O   . HOH U .   ? 0.4484 0.3997 0.2689 0.0699  0.0370  -0.1057 559 HOH H O   
3635 O  O   . HOH U .   ? 0.5240 0.4474 0.3562 -0.1061 -0.1502 0.2475  560 HOH H O   
3636 O  O   . HOH U .   ? 0.4040 0.3906 0.2146 -0.0296 -0.0381 -0.0664 561 HOH H O   
3637 O  O   . HOH U .   ? 0.3496 0.8844 0.4524 -0.0552 -0.0569 -0.2645 562 HOH H O   
3638 O  O   . HOH U .   ? 0.4786 0.8274 0.3687 -0.0143 -0.0467 -0.0701 563 HOH H O   
3639 O  O   . HOH U .   ? 0.4548 0.4546 0.4105 -0.0873 -0.0109 -0.0687 564 HOH H O   
3640 O  O   . HOH U .   ? 0.3536 0.2648 0.4486 0.0806  0.0806  0.0140  565 HOH H O   
3641 O  O   . HOH U .   ? 0.2700 0.7248 0.4572 -0.1007 0.1147  -0.1330 566 HOH H O   
3642 O  O   . HOH U .   ? 0.4593 0.7468 0.3000 -0.0799 -0.1034 0.1179  567 HOH H O   
3643 O  O   . HOH U .   ? 0.3088 0.3093 0.0906 0.0618  -0.0282 -0.0880 568 HOH H O   
3644 O  O   . HOH U .   ? 0.2630 0.2538 0.3071 0.0119  0.0033  0.1057  569 HOH H O   
3645 O  O   . HOH U .   ? 0.4023 1.1001 0.5980 -0.1352 0.0888  -0.0664 570 HOH H O   
3646 O  O   . HOH U .   ? 0.3272 0.7326 0.4240 -0.1148 0.0889  -0.1964 571 HOH H O   
3647 O  O   . HOH U .   ? 0.7319 0.5984 0.4773 -0.2301 -0.3027 0.1751  572 HOH H O   
3648 O  O   . HOH U .   ? 0.7423 0.3753 0.4002 -0.0296 -0.1566 0.0526  573 HOH H O   
3649 O  O   . HOH U .   ? 0.5806 0.2927 0.5884 -0.0901 0.1850  -0.0497 574 HOH H O   
3650 O  O   . HOH U .   ? 0.5508 0.5659 0.2822 -0.2593 -0.0426 0.1256  575 HOH H O   
3651 O  O   . HOH U .   ? 0.2199 0.3235 0.1929 0.0224  -0.0576 -0.0834 576 HOH H O   
3652 O  O   . HOH U .   ? 0.4839 0.7004 0.3921 -0.0192 -0.1016 -0.1404 577 HOH H O   
3653 O  O   . HOH U .   ? 0.4771 0.2770 0.1748 0.0176  0.0236  0.0484  578 HOH H O   
3654 O  O   . HOH U .   ? 0.5253 0.5521 0.4854 0.1416  0.3101  0.1032  579 HOH H O   
3655 O  O   . HOH U .   ? 0.4261 0.6857 0.7269 0.2244  -0.1549 -0.1833 580 HOH H O   
3656 O  O   . HOH U .   ? 0.4967 0.3339 0.3609 0.0857  0.1304  -0.0744 581 HOH H O   
3657 O  O   . HOH U .   ? 0.2953 0.4035 0.3146 -0.1049 0.0839  -0.1754 582 HOH H O   
3658 O  O   . HOH U .   ? 0.3201 0.2046 0.5245 -0.0074 0.0667  0.0190  583 HOH H O   
3659 O  O   . HOH U .   ? 0.5652 1.1669 0.7660 -0.2475 -0.2430 -0.1243 584 HOH H O   
3660 O  O   . HOH U .   ? 0.4513 0.4566 0.2845 0.0822  0.0650  0.0508  585 HOH H O   
3661 O  O   . HOH U .   ? 0.8163 0.4059 0.5692 -0.1198 0.0288  -0.0493 586 HOH H O   
3662 O  O   . HOH U .   ? 0.4116 0.3926 0.3466 -0.0471 -0.0097 0.0698  587 HOH H O   
3663 O  O   . HOH U .   ? 0.2396 0.3157 0.1199 -0.0041 -0.0582 -0.0170 588 HOH H O   
3664 O  O   . HOH U .   ? 0.3005 0.5620 0.1969 -0.1830 -0.1055 0.0734  589 HOH H O   
3665 O  O   . HOH U .   ? 0.5595 0.6253 0.3768 -0.1367 0.0489  -0.0813 590 HOH H O   
3666 O  O   . HOH U .   ? 0.3831 0.2752 0.2181 -0.0676 -0.0468 0.0393  591 HOH H O   
3667 O  O   . HOH U .   ? 0.2091 0.2491 0.0655 0.0434  -0.0277 0.0380  592 HOH H O   
3668 O  O   . HOH U .   ? 0.2264 0.1685 0.0586 0.0275  -0.0258 0.0286  593 HOH H O   
3669 O  O   . HOH U .   ? 0.5981 0.4448 0.4492 -0.1397 0.1700  -0.1656 594 HOH H O   
3670 O  O   . HOH U .   ? 0.3603 0.5689 0.6410 -0.0231 -0.1249 -0.2089 595 HOH H O   
3671 O  O   . HOH U .   ? 0.2654 0.2226 0.0798 0.0040  0.0564  -0.0766 596 HOH H O   
3672 O  O   . HOH U .   ? 0.4063 0.3202 0.5738 -0.0325 0.0998  -0.0642 597 HOH H O   
3673 O  O   . HOH U .   ? 0.3167 0.2365 0.0488 -0.0612 0.0302  0.0129  598 HOH H O   
3674 O  O   . HOH U .   ? 0.3080 0.7746 0.1568 0.0744  0.0043  -0.1355 599 HOH H O   
3675 O  O   . HOH U .   ? 0.7480 0.8831 0.6120 -0.2702 0.1843  0.1989  600 HOH H O   
3676 O  O   . HOH U .   ? 0.3067 0.4321 0.1788 0.0047  0.0269  0.0415  601 HOH H O   
3677 O  O   . HOH U .   ? 0.4614 0.4702 0.7949 0.0293  -0.1037 -0.2363 602 HOH H O   
3678 O  O   . HOH U .   ? 0.5505 0.7836 0.5268 -0.1960 0.1718  -0.2958 603 HOH H O   
3679 O  O   . HOH U .   ? 0.4720 0.4986 0.2988 -0.1620 -0.1633 0.1490  604 HOH H O   
3680 O  O   . HOH U .   ? 0.3606 0.2537 0.2969 -0.0139 -0.0872 0.0321  605 HOH H O   
3681 O  O   . HOH U .   ? 0.6921 0.2947 0.5284 0.0617  -0.1908 -0.0464 606 HOH H O   
3682 O  O   . HOH U .   ? 0.5198 0.4747 0.6590 -0.1506 -0.1405 0.2396  607 HOH H O   
3683 O  O   . HOH U .   ? 0.6320 0.3532 0.3131 -0.1385 -0.1208 -0.0343 608 HOH H O   
3684 O  O   . HOH U .   ? 0.4676 0.8320 0.7270 -0.0832 0.2113  -0.2727 609 HOH H O   
3685 O  O   . HOH U .   ? 0.7672 0.7432 0.6557 0.0098  0.0895  -0.1046 610 HOH H O   
3686 O  O   . HOH U .   ? 0.4504 0.3772 0.3514 -0.0216 -0.0997 -0.0614 611 HOH H O   
3687 O  O   . HOH U .   ? 0.3591 0.2480 0.1754 -0.0975 -0.0820 0.0311  612 HOH H O   
3688 O  O   . HOH U .   ? 0.6834 0.7698 0.7889 -0.1330 -0.2609 -0.2971 613 HOH H O   
3689 O  O   . HOH U .   ? 0.2686 0.3453 0.2260 0.0351  0.0472  -0.0042 614 HOH H O   
3690 O  O   . HOH U .   ? 0.4945 0.7078 0.5214 -0.0121 -0.1687 0.0411  615 HOH H O   
3691 O  O   . HOH U .   ? 0.3702 0.2964 0.1128 0.0352  -0.0383 -0.0700 616 HOH H O   
3692 O  O   . HOH U .   ? 0.7253 0.8675 0.4364 -0.0743 -0.0115 0.0271  617 HOH H O   
3693 O  O   . HOH U .   ? 0.7404 0.5219 0.4637 0.0555  -0.0462 0.0605  618 HOH H O   
3694 O  O   . HOH U .   ? 0.4909 0.6822 0.2371 -0.1472 0.0640  -0.1324 619 HOH H O   
3695 O  O   . HOH U .   ? 0.3183 0.2963 0.4280 0.0293  -0.0346 0.0696  620 HOH H O   
3696 O  O   . HOH U .   ? 0.2481 0.2481 0.2550 0.0336  0.0338  -0.0266 621 HOH H O   
3697 O  O   . HOH U .   ? 0.3527 0.3777 0.3021 0.0107  0.0126  0.0255  622 HOH H O   
3698 O  O   . HOH U .   ? 0.4145 0.4728 0.4876 -0.0923 -0.0056 -0.0758 623 HOH H O   
3699 O  O   . HOH U .   ? 0.6188 0.3821 0.6439 0.0916  0.1313  0.0053  624 HOH H O   
3700 O  O   . HOH U .   ? 0.4276 0.6718 0.9217 -0.0816 0.0103  0.2805  625 HOH H O   
3701 O  O   . HOH U .   ? 0.2932 0.2279 0.1369 0.0076  -0.0154 -0.0648 626 HOH H O   
3702 O  O   . HOH U .   ? 0.4318 0.3427 0.3195 0.0171  0.0008  0.0340  627 HOH H O   
3703 O  O   . HOH U .   ? 0.6324 0.6548 0.4767 0.0750  -0.1357 0.2496  628 HOH H O   
3704 O  O   . HOH U .   ? 0.7559 0.8869 0.3695 -0.0135 0.1555  0.1541  629 HOH H O   
3705 O  O   . HOH U .   ? 0.4006 0.3457 0.2202 -0.0207 0.0014  0.0398  630 HOH H O   
3706 O  O   . HOH U .   ? 0.5898 0.4731 0.6524 0.0293  -0.0991 -0.3545 631 HOH H O   
3707 O  O   . HOH U .   ? 0.4787 0.7330 0.5513 0.1857  -0.1672 -0.2104 632 HOH H O   
3708 O  O   . HOH U .   ? 0.6070 0.5676 0.5384 -0.0222 -0.0024 0.1960  633 HOH H O   
3709 O  O   . HOH U .   ? 0.4978 0.6503 0.2483 -0.0324 0.1187  -0.0162 634 HOH H O   
3710 O  O   . HOH U .   ? 1.0786 0.5029 0.1854 0.1884  -0.1941 0.0035  635 HOH H O   
3711 O  O   . HOH U .   ? 0.6520 0.8152 0.1085 -0.1274 -0.0551 0.0868  636 HOH H O   
3712 O  O   . HOH U .   ? 0.3516 0.4786 0.7544 0.0025  0.0230  -0.1687 637 HOH H O   
3713 O  O   . HOH U .   ? 0.5352 0.4353 0.3769 0.2382  -0.0128 -0.0537 638 HOH H O   
3714 O  O   . HOH U .   ? 0.4802 0.3830 0.4646 -0.0895 -0.3210 0.1642  639 HOH H O   
3715 O  O   . HOH U .   ? 0.5312 0.5154 0.8700 0.0387  -0.1614 0.0151  640 HOH H O   
3716 O  O   . HOH U .   ? 0.7981 0.6725 0.6566 0.0075  0.0158  0.0878  641 HOH H O   
3717 O  O   . HOH U .   ? 0.4589 1.1111 0.3776 0.0853  -0.1346 -0.1072 642 HOH H O   
3718 O  O   . HOH U .   ? 0.3764 0.4483 0.7175 0.0353  -0.0519 -0.2122 643 HOH H O   
3719 O  O   . HOH U .   ? 0.7492 0.8432 0.8326 0.2551  0.0424  -0.0756 644 HOH H O   
3720 O  O   . HOH U .   ? 0.4485 0.4434 0.2520 -0.0236 0.0264  0.0007  645 HOH H O   
3721 O  O   . HOH U .   ? 0.1800 0.2347 0.0953 0.0046  0.0000  0.0378  646 HOH H O   
3722 O  O   . HOH U .   ? 0.4670 0.5101 0.2919 0.0423  0.0986  0.0937  647 HOH H O   
3723 O  O   . HOH U .   ? 0.4565 0.8741 0.3131 0.1683  0.0480  0.2098  648 HOH H O   
3724 O  O   . HOH U .   ? 0.6369 0.7087 0.5879 -0.1264 -0.0328 0.1125  649 HOH H O   
3725 O  O   . HOH U .   ? 0.3541 0.3732 0.5759 -0.0920 0.0507  0.0456  650 HOH H O   
3726 O  O   . HOH U .   ? 0.6759 0.6814 0.7452 -0.2261 0.1367  -0.2274 651 HOH H O   
3727 O  O   . HOH U .   ? 0.4638 0.6134 0.4144 -0.0400 0.0602  0.1475  652 HOH H O   
3728 O  O   . HOH U .   ? 0.6354 0.9112 0.3857 0.2841  -0.0828 -0.1689 653 HOH H O   
3729 O  O   . HOH U .   ? 0.5733 0.4844 0.7260 -0.2375 0.1019  -0.0185 654 HOH H O   
3730 O  O   . HOH U .   ? 0.3800 0.9227 0.3124 -0.1569 -0.0121 -0.0446 655 HOH H O   
3731 O  O   . HOH U .   ? 0.4350 0.2883 0.5750 -0.0825 -0.1961 0.0600  656 HOH H O   
3732 O  O   . HOH U .   ? 0.3990 0.7775 0.4287 0.0394  0.1275  -0.0394 657 HOH H O   
3733 O  O   . HOH U .   ? 0.5546 1.0255 0.4594 -0.0351 0.1476  -0.1145 658 HOH H O   
3734 O  O   . HOH U .   ? 0.4590 0.7001 0.3337 0.1021  0.0855  0.1229  659 HOH H O   
3735 O  O   . HOH U .   ? 0.6376 0.7043 0.3156 0.1738  0.0074  0.1364  660 HOH H O   
3736 O  O   . HOH U .   ? 0.5553 0.6895 0.3884 -0.1490 0.0701  -0.1651 661 HOH H O   
3737 O  O   . HOH U .   ? 0.8772 0.9061 0.2866 0.0311  0.1536  0.0892  662 HOH H O   
3738 O  O   . HOH U .   ? 0.5111 0.4679 0.1795 0.0389  -0.0022 -0.0031 663 HOH H O   
3739 O  O   . HOH U .   ? 0.2550 0.7470 0.3646 -0.0351 -0.0009 -0.1581 664 HOH H O   
3740 O  O   . HOH U .   ? 0.6212 0.3085 0.9885 -0.2090 -0.4009 0.1883  665 HOH H O   
3741 O  O   . HOH U .   ? 0.3699 0.6476 0.4093 0.0077  -0.0200 -0.1504 666 HOH H O   
3742 O  O   . HOH U .   ? 0.3669 0.8339 0.3752 0.0318  -0.0026 0.2661  667 HOH H O   
3743 O  O   . HOH U .   ? 0.4298 0.6178 0.5559 -0.0357 0.1911  0.0219  668 HOH H O   
3744 O  O   . HOH U .   ? 0.7742 1.2402 0.6016 -0.0320 -0.2400 -0.1596 669 HOH H O   
3745 O  O   . HOH U .   ? 0.4272 0.3168 0.3001 0.1000  0.1392  0.0161  670 HOH H O   
3746 O  O   . HOH U .   ? 0.7516 0.4252 0.7410 0.0862  0.2460  -0.0122 671 HOH H O   
3747 O  O   . HOH U .   ? 0.9043 0.4505 0.3013 0.0962  -0.2214 0.0100  672 HOH H O   
3748 O  O   . HOH U .   ? 0.6026 0.2715 0.2829 0.0384  -0.1903 -0.0253 673 HOH H O   
3749 O  O   . HOH U .   ? 0.4674 0.4160 0.2516 0.0588  0.0118  -0.0216 674 HOH H O   
3750 O  O   . HOH U .   ? 0.6753 0.7909 0.5669 0.0039  0.0870  0.0911  675 HOH H O   
3751 O  O   . HOH U .   ? 0.4114 0.3693 0.2700 0.0047  -0.0321 0.0383  676 HOH H O   
3752 O  O   . HOH U .   ? 0.7209 0.8586 0.2989 0.0223  0.0464  0.1067  677 HOH H O   
3753 O  O   . HOH U .   ? 0.4698 0.5604 0.8107 0.0958  -0.1245 0.0669  678 HOH H O   
3754 O  O   . HOH U .   ? 0.3763 0.5870 0.5407 -0.0797 0.1628  0.1870  679 HOH H O   
3755 O  O   . HOH U .   ? 0.6553 0.4638 0.3344 0.0618  -0.0782 0.0561  680 HOH H O   
3756 O  O   . HOH U .   ? 0.8062 0.5967 0.6383 -0.0865 -0.2071 -0.0422 681 HOH H O   
3757 O  O   . HOH U .   ? 0.8315 0.7636 0.4880 0.0352  -0.1845 -0.1264 682 HOH H O   
3758 O  O   . HOH U .   ? 0.4579 0.8569 0.3165 -0.0514 0.0235  -0.0554 683 HOH H O   
3759 O  O   . HOH U .   ? 0.4884 0.4773 0.4675 -0.0238 -0.0766 0.2192  684 HOH H O   
3760 O  O   . HOH U .   ? 0.6829 0.3679 0.3768 0.0218  0.2194  0.0407  685 HOH H O   
3761 O  O   . HOH U .   ? 0.5191 0.7769 0.3548 -0.1040 -0.0286 -0.1266 686 HOH H O   
3762 O  O   . HOH U .   ? 0.6122 0.6813 0.3831 0.1904  -0.0362 -0.0563 687 HOH H O   
3763 O  O   . HOH U .   ? 0.7787 0.7622 0.2712 -0.1673 0.0241  -0.1302 688 HOH H O   
3764 O  O   . HOH U .   ? 0.3135 0.5329 0.6129 -0.0032 0.0394  0.0402  689 HOH H O   
3765 O  O   . HOH U .   ? 0.7686 0.3798 0.3454 -0.1613 -0.1808 -0.0036 690 HOH H O   
3766 O  O   . HOH U .   ? 0.4575 0.2388 0.1915 0.0284  -0.0279 0.0221  691 HOH H O   
3767 O  O   . HOH U .   ? 0.7948 0.5887 0.6221 -0.1974 0.1785  -0.2415 692 HOH H O   
3768 O  O   . HOH U .   ? 0.2279 0.2944 0.0982 -0.0083 -0.0047 -0.0013 693 HOH H O   
3769 O  O   . HOH U .   ? 0.3499 0.5074 0.2507 0.0757  -0.0557 0.0145  694 HOH H O   
3770 O  O   . HOH U .   ? 0.9392 0.4799 0.7130 -0.3440 -0.1044 0.1133  695 HOH H O   
3771 O  O   . HOH U .   ? 0.3734 0.3215 0.1723 -0.0866 -0.0803 0.0325  696 HOH H O   
3772 O  O   . HOH U .   ? 0.9581 0.5288 0.5126 -0.1094 -0.3340 0.0966  697 HOH H O   
3773 O  O   . HOH U .   ? 0.7869 0.4292 0.5039 -0.2205 0.1507  -0.1362 698 HOH H O   
3774 O  O   . HOH U .   ? 0.7286 0.9397 0.6660 0.1914  0.0634  0.1146  699 HOH H O   
3775 O  O   . HOH U .   ? 0.4846 0.6616 0.2343 -0.0050 0.0740  -0.0864 700 HOH H O   
3776 O  O   . HOH U .   ? 0.7847 0.5717 0.1943 -0.0794 0.0237  -0.0696 701 HOH H O   
3777 O  O   . HOH U .   ? 0.4487 0.5161 0.5480 -0.0681 -0.0885 0.2249  702 HOH H O   
3778 O  O   . HOH U .   ? 0.6812 0.6002 0.2709 0.2945  0.0774  0.1656  703 HOH H O   
3779 O  O   . HOH U .   ? 0.4518 0.9717 0.5858 -0.2449 -0.0760 0.3133  704 HOH H O   
3780 O  O   . HOH U .   ? 0.4933 0.6866 0.2503 0.2187  -0.0583 0.0642  705 HOH H O   
3781 O  O   . HOH U .   ? 0.4410 0.6836 0.9130 -0.0031 0.1739  -0.2579 706 HOH H O   
3782 O  O   . HOH U .   ? 1.0282 0.8587 1.1675 -0.2267 -0.4127 -0.2267 707 HOH H O   
3783 O  O   . HOH V .   ? 0.5656 0.4380 0.1645 -0.1405 -0.0414 -0.0693 401 HOH L O   
3784 O  O   . HOH V .   ? 0.5004 0.7611 0.2341 -0.0255 0.0341  0.2698  402 HOH L O   
3785 O  O   . HOH V .   ? 0.5736 0.7536 0.2595 -0.1755 0.0154  0.1414  403 HOH L O   
3786 O  O   . HOH V .   ? 0.6021 0.4315 0.3558 0.1637  -0.1099 0.0355  404 HOH L O   
3787 O  O   . HOH V .   ? 0.4480 0.5421 0.3838 0.1836  -0.1255 -0.1646 405 HOH L O   
3788 O  O   . HOH V .   ? 0.5219 0.7198 0.4129 0.1016  -0.2802 -0.0544 406 HOH L O   
3789 O  O   . HOH V .   ? 0.7671 0.5484 0.3407 -0.2637 0.1449  -0.2034 407 HOH L O   
3790 O  O   . HOH V .   ? 0.6403 0.3383 0.3755 -0.0991 -0.1450 0.1520  408 HOH L O   
3791 O  O   . HOH V .   ? 0.3442 0.7222 0.3609 -0.1191 0.0567  -0.2389 409 HOH L O   
3792 O  O   . HOH V .   ? 0.4033 0.6176 0.5122 0.0249  -0.0371 0.0436  410 HOH L O   
3793 O  O   . HOH V .   ? 0.6524 0.3470 0.5966 -0.0202 -0.0425 -0.0490 411 HOH L O   
3794 O  O   . HOH V .   ? 0.5100 0.3875 1.0263 -0.2424 -0.2662 -0.0824 412 HOH L O   
3795 O  O   . HOH V .   ? 0.3431 0.4465 0.4997 -0.1199 -0.1860 0.1270  413 HOH L O   
3796 O  O   . HOH V .   ? 0.5073 0.3119 0.1744 -0.0069 0.0808  -0.0265 414 HOH L O   
3797 O  O   . HOH V .   ? 0.4902 0.3641 0.2156 -0.2126 -0.1347 0.0633  415 HOH L O   
3798 O  O   . HOH V .   ? 0.4444 0.7635 0.4433 0.0011  0.0289  -0.2341 416 HOH L O   
3799 O  O   . HOH V .   ? 0.4188 0.6578 0.0176 -0.0562 -0.0564 0.0555  417 HOH L O   
3800 O  O   . HOH V .   ? 0.3031 0.4875 0.4731 -0.0348 0.1527  0.0545  418 HOH L O   
3801 O  O   . HOH V .   ? 0.5464 0.4679 0.7063 -0.0554 0.0734  -0.0698 419 HOH L O   
3802 O  O   . HOH V .   ? 0.3779 0.2520 0.1616 -0.0386 -0.0755 0.0341  420 HOH L O   
3803 O  O   . HOH V .   ? 0.4525 0.3475 0.2052 -0.1099 -0.0324 -0.0677 421 HOH L O   
3804 O  O   . HOH V .   ? 0.3597 0.2385 0.3498 -0.0762 0.0693  0.0072  422 HOH L O   
3805 O  O   . HOH V .   ? 0.2320 0.2919 0.1582 0.0276  -0.0268 -0.0257 423 HOH L O   
3806 O  O   . HOH V .   ? 0.4196 0.5303 0.2010 -0.2484 0.0289  -0.2124 424 HOH L O   
3807 O  O   . HOH V .   ? 0.8311 0.3888 0.3462 0.2035  -0.0050 -0.0751 425 HOH L O   
3808 O  O   . HOH V .   ? 0.2842 0.4192 0.1524 -0.0247 0.0510  0.0031  426 HOH L O   
3809 O  O   . HOH V .   ? 0.3603 0.3566 0.2563 0.0830  -0.0553 -0.0318 427 HOH L O   
3810 O  O   . HOH V .   ? 0.2472 0.7775 0.4406 -0.1573 -0.0602 -0.1663 428 HOH L O   
3811 O  O   . HOH V .   ? 0.4167 0.1844 0.3310 0.0409  -0.0473 -0.1257 429 HOH L O   
3812 O  O   . HOH V .   ? 0.3482 0.3526 0.2384 0.0248  -0.0719 0.0122  430 HOH L O   
3813 O  O   . HOH V .   ? 0.7993 0.5376 0.3679 0.1108  0.0715  -0.1374 431 HOH L O   
3814 O  O   . HOH V .   ? 0.5210 0.4972 0.6557 0.0845  -0.2280 -0.0838 432 HOH L O   
3815 O  O   . HOH V .   ? 0.4966 0.9353 0.5989 -0.0535 -0.0718 0.2012  433 HOH L O   
3816 O  O   . HOH V .   ? 0.5178 0.6917 0.5086 0.2875  0.1163  -0.0298 434 HOH L O   
3817 O  O   . HOH V .   ? 0.4210 0.4607 0.2300 0.1048  -0.0231 -0.1092 435 HOH L O   
3818 O  O   . HOH V .   ? 0.1883 0.2363 0.0841 0.0000  -0.0318 -0.1046 436 HOH L O   
3819 O  O   . HOH V .   ? 0.2458 0.5406 0.3321 -0.1045 -0.0156 -0.0986 437 HOH L O   
3820 O  O   . HOH V .   ? 0.5350 0.4317 0.3362 0.0709  0.1467  0.0967  438 HOH L O   
3821 O  O   . HOH V .   ? 0.3535 0.3887 0.1725 -0.0662 0.0432  -0.0266 439 HOH L O   
3822 O  O   . HOH V .   ? 0.3535 0.2268 0.1705 -0.0328 -0.0151 0.0187  440 HOH L O   
3823 O  O   . HOH V .   ? 0.2382 0.4946 0.1545 0.0312  0.0388  -0.0089 441 HOH L O   
3824 O  O   . HOH V .   ? 0.3681 0.4248 0.1891 0.0127  0.0301  -0.0327 442 HOH L O   
3825 O  O   . HOH V .   ? 0.4083 0.3693 0.1854 -0.0777 -0.0334 -0.0190 443 HOH L O   
3826 O  O   . HOH V .   ? 0.3380 0.7070 0.4352 0.1117  -0.1312 -0.1146 444 HOH L O   
3827 O  O   . HOH V .   ? 0.3326 0.3682 0.2243 0.0326  -0.0285 -0.1015 445 HOH L O   
3828 O  O   . HOH V .   ? 0.2570 0.2328 0.1132 -0.0424 -0.0757 -0.0019 446 HOH L O   
3829 O  O   . HOH V .   ? 0.7690 0.8004 0.6970 0.0123  -0.3195 0.1074  447 HOH L O   
3830 O  O   . HOH V .   ? 0.6010 0.3668 0.4438 0.0002  -0.3240 -0.0591 448 HOH L O   
3831 O  O   . HOH V .   ? 0.5494 0.5861 0.5179 -0.2107 -0.2356 0.2022  449 HOH L O   
3832 O  O   . HOH V .   ? 0.3905 0.4887 0.3691 -0.0337 0.0102  0.1061  450 HOH L O   
3833 O  O   . HOH V .   ? 0.2747 0.1926 0.0798 0.0057  -0.0917 0.0229  451 HOH L O   
3834 O  O   . HOH V .   ? 0.6242 0.3543 0.6196 0.2433  -0.0859 -0.0253 452 HOH L O   
3835 O  O   . HOH V .   ? 0.4694 0.2648 0.1400 -0.0271 -0.0807 -0.0242 453 HOH L O   
3836 O  O   . HOH V .   ? 0.4065 0.4219 0.4364 0.0214  0.1450  -0.0893 454 HOH L O   
3837 O  O   . HOH V .   ? 0.2491 0.1895 0.2100 0.0212  0.0268  0.0119  455 HOH L O   
3838 O  O   . HOH V .   ? 0.4082 0.4055 0.1579 -0.0136 0.0085  0.0274  456 HOH L O   
3839 O  O   . HOH V .   ? 0.1987 0.1877 0.0497 -0.0712 -0.0325 0.0234  457 HOH L O   
3840 O  O   . HOH V .   ? 0.2356 0.2366 0.1436 -0.0203 0.0231  -0.0055 458 HOH L O   
3841 O  O   . HOH V .   ? 0.1540 0.1436 0.0073 0.0167  -0.0075 -0.0101 459 HOH L O   
3842 O  O   . HOH V .   ? 0.3545 0.3968 0.1482 0.0735  0.0823  0.0102  460 HOH L O   
3843 O  O   . HOH V .   ? 0.1795 0.1857 0.0436 0.0043  -0.0206 -0.0011 461 HOH L O   
3844 O  O   . HOH V .   ? 0.2592 0.4764 0.1310 -0.0563 -0.0032 0.1105  462 HOH L O   
3845 O  O   . HOH V .   ? 0.4425 0.3656 0.0722 0.0560  -0.0819 0.0504  463 HOH L O   
3846 O  O   . HOH V .   ? 0.5978 0.4656 0.1490 -0.2872 0.0707  0.0803  464 HOH L O   
3847 O  O   . HOH V .   ? 0.7584 0.3617 0.2570 0.0355  0.1101  0.0025  465 HOH L O   
3848 O  O   . HOH V .   ? 0.6007 0.5138 0.1480 0.2048  0.1653  -0.0717 466 HOH L O   
3849 O  O   . HOH V .   ? 0.3249 0.1497 0.0728 -0.0371 -0.0590 -0.0029 467 HOH L O   
3850 O  O   . HOH V .   ? 0.5613 0.9056 0.4538 -0.1634 -0.0158 0.0101  468 HOH L O   
3851 O  O   . HOH V .   ? 0.2286 0.2989 0.1165 0.0372  0.0252  -0.0050 469 HOH L O   
3852 O  O   . HOH V .   ? 0.4024 1.0686 0.4291 -0.1074 0.0124  -0.2443 470 HOH L O   
3853 O  O   . HOH V .   ? 0.4345 0.7921 0.2896 -0.1525 -0.1173 0.1129  471 HOH L O   
3854 O  O   . HOH V .   ? 0.6243 0.4637 0.3416 -0.1248 -0.1362 0.0884  472 HOH L O   
3855 O  O   . HOH V .   ? 0.1706 0.1509 0.0099 -0.0076 -0.0201 -0.0103 473 HOH L O   
3856 O  O   . HOH V .   ? 0.4011 0.2976 0.0863 -0.0072 -0.0314 -0.0606 474 HOH L O   
3857 O  O   . HOH V .   ? 0.2690 0.1561 0.1385 -0.0078 -0.0970 0.0190  475 HOH L O   
3858 O  O   . HOH V .   ? 0.1900 0.2815 0.0373 0.0150  -0.0108 -0.0381 476 HOH L O   
3859 O  O   . HOH V .   ? 0.3885 0.3214 0.1595 0.0706  -0.0767 0.0158  477 HOH L O   
3860 O  O   . HOH V .   ? 0.3876 0.2454 0.5484 0.0982  0.1408  -0.0126 478 HOH L O   
3861 O  O   . HOH V .   ? 0.2401 0.5311 0.2393 -0.0348 0.0051  -0.0782 479 HOH L O   
3862 O  O   . HOH V .   ? 0.3530 0.3129 0.2823 0.0566  0.0407  -0.0223 480 HOH L O   
3863 O  O   . HOH V .   ? 0.1955 0.2982 0.2010 -0.0777 -0.0318 0.0389  481 HOH L O   
3864 O  O   . HOH V .   ? 0.7728 0.6808 0.5965 0.2168  0.0229  -0.0196 482 HOH L O   
3865 O  O   . HOH V .   ? 0.3989 0.6467 0.2836 -0.0707 0.0225  -0.0659 483 HOH L O   
3866 O  O   . HOH V .   ? 0.1662 0.3047 0.0780 0.0117  -0.0343 0.0292  484 HOH L O   
3867 O  O   . HOH V .   ? 0.4188 0.3648 0.4922 -0.0792 0.0637  -0.0547 485 HOH L O   
3868 O  O   . HOH V .   ? 0.1554 0.1793 0.0216 0.0166  -0.0145 -0.0050 486 HOH L O   
3869 O  O   . HOH V .   ? 0.5355 0.3458 0.2137 0.2544  0.0551  0.0300  487 HOH L O   
3870 O  O   . HOH V .   ? 0.3053 0.4129 0.2905 -0.0230 0.0912  0.1091  488 HOH L O   
3871 O  O   . HOH V .   ? 0.3810 0.2729 0.3052 -0.0162 -0.2124 -0.0901 489 HOH L O   
3872 O  O   . HOH V .   ? 0.3988 0.5970 0.2205 -0.1160 0.0116  0.0940  490 HOH L O   
3873 O  O   . HOH V .   ? 0.2513 0.3594 0.1699 0.0521  -0.0026 -0.0437 491 HOH L O   
3874 O  O   . HOH V .   ? 0.6744 0.4409 0.4352 -0.0629 0.0490  0.0884  492 HOH L O   
3875 O  O   . HOH V .   ? 0.3973 0.3783 0.2143 -0.1422 -0.1419 0.1063  493 HOH L O   
3876 O  O   . HOH V .   ? 0.2734 0.2112 0.0885 0.0028  0.0049  0.0186  494 HOH L O   
3877 O  O   . HOH V .   ? 0.2956 0.1892 0.2470 -0.0096 -0.0031 -0.0543 495 HOH L O   
3878 O  O   . HOH V .   ? 0.1738 0.2155 0.0445 -0.0059 -0.0211 0.0145  496 HOH L O   
3879 O  O   . HOH V .   ? 0.5466 0.3711 0.4238 -0.0174 0.1004  0.1016  497 HOH L O   
3880 O  O   . HOH V .   ? 0.3426 0.3108 0.1963 0.0570  0.0244  0.0361  498 HOH L O   
3881 O  O   . HOH V .   ? 0.5305 0.3144 0.2677 -0.0825 -0.1588 0.0438  499 HOH L O   
3882 O  O   . HOH V .   ? 0.2189 0.2103 0.0709 -0.0077 -0.0160 0.0344  500 HOH L O   
3883 O  O   . HOH V .   ? 0.4442 0.3172 1.0194 0.0353  -0.1852 -0.0078 501 HOH L O   
3884 O  O   . HOH V .   ? 0.1515 0.1360 0.0082 -0.0142 -0.0021 0.0157  502 HOH L O   
3885 O  O   . HOH V .   ? 0.6243 0.5974 0.3373 0.0387  -0.1028 0.1748  503 HOH L O   
3886 O  O   . HOH V .   ? 0.5229 0.3744 0.1301 0.0724  0.0097  -0.0098 504 HOH L O   
3887 O  O   . HOH V .   ? 0.2119 0.1995 0.2119 0.0138  -0.0392 0.0376  505 HOH L O   
3888 O  O   . HOH V .   ? 0.2646 0.2125 0.0684 0.0088  -0.0082 -0.0404 506 HOH L O   
3889 O  O   . HOH V .   ? 0.1782 0.1777 0.0173 0.0050  -0.0110 0.0010  507 HOH L O   
3890 O  O   . HOH V .   ? 0.4161 0.3996 0.7971 0.1378  -0.1343 -0.1420 508 HOH L O   
3891 O  O   . HOH V .   ? 0.6013 0.8651 1.0073 -0.3317 0.1557  -0.0984 509 HOH L O   
3892 O  O   . HOH V .   ? 0.2056 0.1768 0.1424 0.0137  -0.0611 0.0160  510 HOH L O   
3893 O  O   . HOH V .   ? 0.1367 0.1272 0.0113 0.0010  -0.0083 -0.0079 511 HOH L O   
3894 O  O   . HOH V .   ? 0.4591 0.7849 0.4374 0.0366  -0.0249 0.2855  512 HOH L O   
3895 O  O   . HOH V .   ? 0.3196 0.2848 0.2278 0.0341  0.0701  0.1169  513 HOH L O   
3896 O  O   . HOH V .   ? 0.3133 0.3948 0.1059 -0.1574 -0.0814 -0.0190 514 HOH L O   
3897 O  O   . HOH V .   ? 0.4272 0.2178 0.1060 -0.0776 -0.0664 0.0469  515 HOH L O   
3898 O  O   . HOH V .   ? 0.5662 0.6216 0.1083 0.2728  -0.1703 -0.1635 516 HOH L O   
3899 O  O   . HOH V .   ? 0.2969 0.3727 0.2117 0.0248  -0.0240 -0.0359 517 HOH L O   
3900 O  O   . HOH V .   ? 0.4764 0.6575 0.5909 0.0562  -0.0370 0.0843  518 HOH L O   
3901 O  O   . HOH V .   ? 0.1867 0.1448 0.0685 0.0150  -0.0043 -0.0256 519 HOH L O   
3902 O  O   . HOH V .   ? 0.4266 0.2507 0.4010 -0.0240 -0.0633 0.0321  520 HOH L O   
3903 O  O   . HOH V .   ? 0.3696 0.3634 0.1883 0.0767  -0.0650 -0.0384 521 HOH L O   
3904 O  O   . HOH V .   ? 0.6256 0.3680 0.3433 0.1862  0.1004  -0.0738 522 HOH L O   
3905 O  O   . HOH V .   ? 0.5139 0.6122 0.7705 -0.0424 -0.1397 0.2186  523 HOH L O   
3906 O  O   . HOH V .   ? 0.5675 0.4179 0.7026 -0.0631 0.3004  -0.0913 524 HOH L O   
3907 O  O   . HOH V .   ? 0.4491 0.3320 0.2372 0.1487  -0.0294 0.0101  525 HOH L O   
3908 O  O   . HOH V .   ? 0.3911 0.3265 0.1028 -0.0240 0.0409  0.0295  526 HOH L O   
3909 O  O   . HOH V .   ? 0.2188 0.2834 0.1858 0.0452  0.0551  0.1146  527 HOH L O   
3910 O  O   . HOH V .   ? 0.3272 0.3888 0.4641 0.0625  -0.0586 0.1842  528 HOH L O   
3911 O  O   . HOH V .   ? 0.3023 0.2666 0.3381 0.0456  0.0240  0.0674  529 HOH L O   
3912 O  O   . HOH V .   ? 0.4711 0.6102 0.3497 0.0897  0.0744  -0.0180 530 HOH L O   
3913 O  O   . HOH V .   ? 0.2092 0.2401 0.0662 -0.0233 0.0087  -0.0142 531 HOH L O   
3914 O  O   . HOH V .   ? 0.4779 0.3496 0.3316 -0.1544 0.1402  -0.0473 532 HOH L O   
3915 O  O   . HOH V .   ? 0.2443 0.2790 0.1025 -0.0024 0.0252  -0.0234 533 HOH L O   
3916 O  O   . HOH V .   ? 0.3842 0.2181 0.2988 0.0106  0.0007  -0.0082 534 HOH L O   
3917 O  O   . HOH V .   ? 0.6365 0.2593 0.1732 0.1239  -0.3009 -0.1249 535 HOH L O   
3918 O  O   . HOH V .   ? 0.5167 0.3310 0.3912 -0.0891 0.0689  -0.1233 536 HOH L O   
3919 O  O   . HOH V .   ? 0.5080 0.5202 0.2296 0.1265  0.1402  0.0660  537 HOH L O   
3920 O  O   . HOH V .   ? 0.1981 0.2556 0.1463 -0.0249 -0.0663 0.0450  538 HOH L O   
3921 O  O   . HOH V .   ? 0.2607 0.1503 0.1281 0.0018  -0.0539 0.0029  539 HOH L O   
3922 O  O   . HOH V .   ? 0.4916 0.4335 0.3071 0.1282  -0.0657 -0.0494 540 HOH L O   
3923 O  O   . HOH V .   ? 0.5828 0.7765 0.6922 0.3112  -0.0285 -0.0110 541 HOH L O   
3924 O  O   . HOH V .   ? 0.7298 0.2985 0.4167 -0.0356 -0.0103 -0.1040 542 HOH L O   
3925 O  O   . HOH V .   ? 0.2391 0.1968 0.0851 -0.0331 -0.0789 0.0247  543 HOH L O   
3926 O  O   . HOH V .   ? 0.4753 0.6452 0.2672 -0.0239 0.0649  -0.1274 544 HOH L O   
3927 O  O   . HOH V .   ? 0.3151 0.4252 0.4714 0.1153  -0.0130 0.0167  545 HOH L O   
3928 O  O   . HOH V .   ? 0.4010 0.2738 0.1753 0.0807  0.0278  0.0277  546 HOH L O   
3929 O  O   . HOH V .   ? 0.1776 0.2507 0.0524 0.0341  -0.0239 -0.0667 547 HOH L O   
3930 O  O   . HOH V .   ? 0.2038 0.1772 0.0420 -0.0278 -0.0230 0.0089  548 HOH L O   
3931 O  O   . HOH V .   ? 0.4422 0.5878 0.2226 -0.0008 0.1054  -0.0440 549 HOH L O   
3932 O  O   . HOH V .   ? 0.4647 0.4521 0.3410 -0.0429 -0.1509 -0.0343 550 HOH L O   
3933 O  O   . HOH V .   ? 0.5760 0.3720 0.5025 -0.1555 0.0470  -0.0430 551 HOH L O   
3934 O  O   . HOH V .   ? 0.9520 0.8325 0.2801 0.0328  -0.1471 -0.1317 552 HOH L O   
3935 O  O   . HOH V .   ? 0.3329 0.3895 0.3565 -0.0528 0.0357  -0.0030 553 HOH L O   
3936 O  O   . HOH V .   ? 0.2145 0.3747 0.3532 0.0462  -0.0181 -0.0144 554 HOH L O   
3937 O  O   . HOH V .   ? 0.1656 0.1498 0.0275 -0.0063 -0.0277 0.0198  555 HOH L O   
3938 O  O   . HOH V .   ? 0.3286 0.1802 0.1554 0.0125  -0.0659 -0.0235 556 HOH L O   
3939 O  O   . HOH V .   ? 0.4537 0.3387 0.3257 0.0338  0.0400  -0.0145 557 HOH L O   
3940 O  O   . HOH V .   ? 0.2124 0.1680 0.0944 0.0320  -0.0244 -0.0027 558 HOH L O   
3941 O  O   . HOH V .   ? 0.4293 0.5883 0.3698 0.0423  0.0352  0.1128  559 HOH L O   
3942 O  O   . HOH V .   ? 0.4805 0.4625 0.3164 -0.0116 0.0351  0.0278  560 HOH L O   
3943 O  O   . HOH V .   ? 0.8262 0.3573 0.4689 -0.0291 -0.0605 0.1219  561 HOH L O   
3944 O  O   . HOH V .   ? 0.3219 0.2180 0.1322 0.0472  0.0529  0.0195  562 HOH L O   
3945 O  O   . HOH V .   ? 0.6881 0.3266 0.1319 -0.1181 0.1047  -0.0270 563 HOH L O   
3946 O  O   . HOH V .   ? 0.3884 0.5477 0.3850 0.1991  0.0392  0.1382  564 HOH L O   
3947 O  O   . HOH V .   ? 0.7063 0.6288 0.4857 0.0311  -0.0322 0.0076  565 HOH L O   
3948 O  O   . HOH V .   ? 0.6412 0.3500 0.1466 0.0240  -0.0339 -0.0924 566 HOH L O   
3949 O  O   . HOH V .   ? 0.2227 0.1265 0.0737 0.0262  -0.0060 -0.0224 567 HOH L O   
3950 O  O   . HOH V .   ? 0.2853 0.2222 0.2009 0.0285  -0.0166 0.0022  568 HOH L O   
3951 O  O   . HOH V .   ? 0.4780 0.5277 0.3641 0.0077  0.0749  0.1628  569 HOH L O   
3952 O  O   . HOH V .   ? 0.4268 0.6963 0.6704 0.0875  0.1736  0.1716  570 HOH L O   
3953 O  O   . HOH V .   ? 0.3365 0.2496 0.2080 -0.0437 -0.0210 -0.0630 571 HOH L O   
3954 O  O   . HOH V .   ? 0.5747 0.3336 0.1667 -0.0156 -0.1462 0.0193  572 HOH L O   
3955 O  O   . HOH V .   ? 0.8539 0.3435 0.3998 -0.0096 -0.1767 0.0025  573 HOH L O   
3956 O  O   . HOH V .   ? 0.4663 0.4939 0.6863 -0.0553 -0.2244 0.0507  574 HOH L O   
3957 O  O   . HOH V .   ? 0.7054 0.3058 0.1878 -0.0242 0.0036  0.0361  575 HOH L O   
3958 O  O   . HOH V .   ? 0.7380 0.6433 0.2704 -0.1604 0.1423  -0.1795 576 HOH L O   
3959 O  O   . HOH V .   ? 0.3890 0.7593 0.5588 0.0645  0.0224  -0.0548 577 HOH L O   
3960 O  O   . HOH V .   ? 0.2279 0.2377 0.1145 0.0120  0.0058  -0.0385 578 HOH L O   
3961 O  O   . HOH V .   ? 0.3199 0.6111 0.2389 -0.0611 -0.0302 -0.1551 579 HOH L O   
3962 O  O   . HOH V .   ? 0.6405 0.6949 0.5341 0.0987  -0.0452 -0.0846 580 HOH L O   
3963 O  O   . HOH V .   ? 0.5536 0.8318 0.6518 0.0661  -0.0913 -0.3355 581 HOH L O   
3964 O  O   . HOH V .   ? 0.2707 0.2249 0.3043 -0.0778 -0.0496 -0.0541 582 HOH L O   
3965 O  O   . HOH V .   ? 0.3976 0.6981 0.2327 0.0388  0.1224  0.0348  583 HOH L O   
3966 O  O   . HOH V .   ? 0.3342 0.2668 0.0957 0.0118  -0.0367 0.0674  584 HOH L O   
3967 O  O   . HOH V .   ? 0.3889 0.5102 0.4579 0.1370  -0.0141 -0.0401 585 HOH L O   
3968 O  O   . HOH V .   ? 0.3252 0.3817 0.7189 -0.0400 0.1576  0.0376  586 HOH L O   
3969 O  O   . HOH V .   ? 0.3816 0.6478 0.3292 -0.0227 0.0360  -0.1424 587 HOH L O   
3970 O  O   . HOH V .   ? 0.2696 0.3839 0.3911 -0.0865 -0.0488 0.0082  588 HOH L O   
3971 O  O   . HOH V .   ? 0.2444 0.2638 0.2682 -0.0283 -0.0579 0.1091  589 HOH L O   
3972 O  O   . HOH V .   ? 0.3898 0.5723 0.6624 0.1072  -0.1528 0.0169  590 HOH L O   
3973 O  O   . HOH V .   ? 0.2903 0.3217 0.1687 -0.0414 0.0073  -0.0568 591 HOH L O   
3974 O  O   . HOH V .   ? 0.5179 0.5694 0.5778 0.1972  -0.0574 0.1388  592 HOH L O   
3975 O  O   . HOH V .   ? 0.6001 0.3837 0.4581 0.0480  -0.1963 0.0200  593 HOH L O   
3976 O  O   . HOH V .   ? 0.3272 0.2693 0.4035 -0.0412 -0.0143 0.0478  594 HOH L O   
3977 O  O   . HOH V .   ? 0.4919 0.4098 0.4952 0.0181  0.0120  0.0133  595 HOH L O   
3978 O  O   . HOH V .   ? 0.4817 0.5705 0.2508 0.0859  0.1046  -0.0143 596 HOH L O   
3979 O  O   . HOH V .   ? 0.6775 0.6048 0.4134 -0.0559 0.0849  -0.1645 597 HOH L O   
3980 O  O   . HOH V .   ? 0.6792 0.4474 0.3783 -0.1482 -0.1626 -0.0395 598 HOH L O   
3981 O  O   . HOH V .   ? 1.1656 0.5777 0.2524 0.0684  -0.1720 -0.1122 599 HOH L O   
3982 O  O   . HOH V .   ? 0.6012 0.3864 0.3254 -0.0918 -0.1145 -0.0780 600 HOH L O   
3983 O  O   . HOH V .   ? 0.6260 0.2793 0.6602 0.1229  -0.0601 -0.1061 601 HOH L O   
3984 O  O   . HOH V .   ? 0.6685 0.7620 0.3562 0.0089  -0.0714 0.1745  602 HOH L O   
3985 O  O   . HOH V .   ? 0.5038 0.4760 1.1106 0.0084  -0.3297 -0.1737 603 HOH L O   
3986 O  O   . HOH V .   ? 0.3489 0.3402 0.2650 0.0128  -0.1030 0.0510  604 HOH L O   
3987 O  O   . HOH V .   ? 0.4847 0.2943 0.2767 -0.0426 0.0347  0.0506  605 HOH L O   
3988 O  O   . HOH V .   ? 0.3697 0.3272 0.2259 0.0310  0.1122  -0.0291 606 HOH L O   
3989 O  O   . HOH V .   ? 0.3379 0.4048 0.2940 0.0624  0.0153  -0.1105 607 HOH L O   
3990 O  O   . HOH V .   ? 0.5421 1.0361 0.3983 0.0168  0.2425  0.0778  608 HOH L O   
3991 O  O   . HOH V .   ? 0.1911 0.1225 0.0314 0.0086  -0.0190 -0.0175 609 HOH L O   
3992 O  O   . HOH V .   ? 0.2189 0.2939 0.1169 0.0083  -0.0050 -0.0733 610 HOH L O   
3993 O  O   . HOH V .   ? 0.6219 0.4751 0.5964 0.2076  -0.2039 -0.1273 611 HOH L O   
3994 O  O   . HOH V .   ? 0.5383 0.2056 0.3091 -0.0142 -0.3049 0.0212  612 HOH L O   
3995 O  O   . HOH V .   ? 0.4429 0.7394 0.5286 0.2158  -0.1719 -0.2653 613 HOH L O   
3996 O  O   . HOH V .   ? 0.6843 0.5823 0.7822 0.0587  -0.1712 0.0262  614 HOH L O   
3997 O  O   . HOH V .   ? 0.5519 0.5925 0.3552 -0.1659 0.1373  -0.0907 615 HOH L O   
3998 O  O   . HOH V .   ? 0.3196 0.4049 0.3130 0.0804  -0.0640 -0.0371 616 HOH L O   
3999 O  O   . HOH V .   ? 0.5653 0.4726 0.2998 -0.0772 0.0088  0.0370  617 HOH L O   
4000 O  O   . HOH V .   ? 0.6253 0.4663 0.8867 -0.2086 -0.0669 -0.1449 618 HOH L O   
4001 O  O   . HOH V .   ? 0.5086 0.4564 0.2109 -0.0017 -0.0040 0.0302  619 HOH L O   
4002 O  O   . HOH V .   ? 0.4962 0.4174 0.2475 -0.0777 -0.0380 -0.0432 620 HOH L O   
4003 O  O   . HOH V .   ? 0.3291 0.3078 0.1971 0.0206  -0.0325 0.0591  621 HOH L O   
4004 O  O   . HOH V .   ? 0.7397 0.3287 0.4522 0.1238  -0.2349 -0.0460 622 HOH L O   
4005 O  O   . HOH V .   ? 0.8071 0.5130 0.6844 -0.2300 0.3001  -0.0665 623 HOH L O   
4006 O  O   . HOH V .   ? 0.5085 0.4518 0.2944 0.0330  0.0468  -0.0032 624 HOH L O   
4007 O  O   . HOH V .   ? 0.8467 0.6715 0.8057 -0.0509 0.1051  0.0872  625 HOH L O   
4008 O  O   . HOH V .   ? 0.8803 0.7379 0.6389 0.0946  -0.0863 0.0941  626 HOH L O   
4009 O  O   . HOH V .   ? 0.3647 0.7301 0.3022 0.0971  0.1471  0.0795  627 HOH L O   
4010 O  O   . HOH V .   ? 0.3777 0.6840 0.4254 0.1083  0.0537  0.2856  628 HOH L O   
4011 O  O   . HOH V .   ? 0.4689 0.7645 0.4593 -0.0484 0.0292  -0.0095 629 HOH L O   
4012 O  O   . HOH V .   ? 0.3980 0.6296 0.3602 0.0969  -0.0430 -0.1771 630 HOH L O   
4013 O  O   . HOH V .   ? 0.2870 0.3124 0.2605 -0.0401 -0.0669 0.0521  631 HOH L O   
4014 O  O   . HOH V .   ? 0.4532 0.4123 0.3848 -0.1554 0.0343  0.0818  632 HOH L O   
4015 O  O   . HOH V .   ? 0.4481 0.3688 0.7896 -0.1168 0.0941  0.0218  633 HOH L O   
4016 O  O   . HOH V .   ? 0.3611 0.5521 0.3111 0.0539  0.1361  -0.0922 634 HOH L O   
4017 O  O   . HOH V .   ? 0.6939 0.6985 0.6672 0.0966  -0.1833 -0.3534 635 HOH L O   
4018 O  O   . HOH V .   ? 0.4024 0.3581 0.5387 -0.0653 0.2166  -0.1539 636 HOH L O   
4019 O  O   . HOH V .   ? 0.4447 0.4288 0.1919 0.1252  0.0815  0.0719  637 HOH L O   
4020 O  O   . HOH V .   ? 0.8286 0.4687 0.2151 -0.0994 0.0647  -0.0594 638 HOH L O   
4021 O  O   . HOH V .   ? 0.5950 0.3879 0.2461 0.0273  -0.1035 -0.0302 639 HOH L O   
4022 O  O   . HOH V .   ? 0.8179 0.7248 0.3137 0.3211  -0.0773 0.0503  640 HOH L O   
4023 O  O   . HOH V .   ? 0.3029 0.4939 0.2333 0.0747  -0.0219 -0.0371 641 HOH L O   
4024 O  O   . HOH V .   ? 0.3728 0.4609 0.4294 -0.0855 0.1244  -0.2145 642 HOH L O   
4025 O  O   . HOH V .   ? 0.3599 0.3263 0.1308 -0.0622 -0.0506 0.1209  643 HOH L O   
4026 O  O   . HOH V .   ? 0.9495 0.7872 0.6107 -0.0367 0.0292  -0.2757 644 HOH L O   
4027 O  O   . HOH V .   ? 0.8512 0.5507 0.2399 0.0612  -0.0441 0.0939  645 HOH L O   
4028 O  O   . HOH V .   ? 0.4570 0.5430 0.6653 -0.0522 -0.1797 0.0694  646 HOH L O   
4029 O  O   . HOH V .   ? 0.5442 0.6398 0.7174 0.0252  -0.0544 -0.0694 647 HOH L O   
4030 O  O   . HOH V .   ? 0.5934 0.5709 0.5553 -0.0806 -0.0279 0.1620  648 HOH L O   
4031 O  O   . HOH V .   ? 0.5164 0.6933 0.4782 0.2618  -0.0236 0.0308  649 HOH L O   
4032 O  O   . HOH V .   ? 0.4269 0.5545 0.2031 0.0161  0.0214  -0.0523 650 HOH L O   
4033 O  O   . HOH V .   ? 0.8158 0.5681 0.4888 0.1885  0.2081  0.1309  651 HOH L O   
4034 O  O   . HOH V .   ? 0.4617 0.7613 0.6752 0.0126  -0.0331 -0.3399 652 HOH L O   
4035 O  O   . HOH V .   ? 0.4618 0.2951 0.3536 0.0083  -0.0841 0.0035  653 HOH L O   
4036 O  O   . HOH V .   ? 0.6182 0.7709 0.3169 0.0378  0.2494  0.0814  654 HOH L O   
4037 O  O   . HOH V .   ? 0.4012 0.6407 0.5022 -0.0552 0.0967  0.1501  655 HOH L O   
4038 O  O   . HOH V .   ? 0.6119 0.5217 0.5305 0.2899  0.0092  0.0435  656 HOH L O   
4039 O  O   . HOH V .   ? 0.3072 0.6739 0.5142 0.0302  0.0346  -0.0658 657 HOH L O   
4040 O  O   . HOH V .   ? 0.9780 0.6559 0.3713 -0.2110 0.0588  0.1933  658 HOH L O   
4041 O  O   . HOH V .   ? 0.5134 0.4334 0.9906 -0.0970 -0.1132 -0.1382 659 HOH L O   
4042 O  O   . HOH V .   ? 0.2939 1.2354 0.3898 0.0324  0.0804  0.2402  660 HOH L O   
4043 O  O   . HOH V .   ? 0.6708 0.7734 0.5109 0.0382  -0.1268 -0.1952 661 HOH L O   
4044 O  O   . HOH V .   ? 0.5310 0.6727 1.0525 0.0677  0.1899  0.0010  662 HOH L O   
4045 O  O   . HOH V .   ? 1.0385 0.3284 0.2855 0.1787  -0.2411 -0.0281 663 HOH L O   
4046 O  O   . HOH V .   ? 0.4789 0.5180 0.6540 -0.0777 0.1168  -0.1016 664 HOH L O   
4047 O  O   . HOH V .   ? 0.7009 0.3704 0.3179 -0.1243 -0.2822 0.0754  665 HOH L O   
4048 O  O   . HOH V .   ? 0.6396 0.4840 0.3153 0.1522  -0.1380 0.0170  666 HOH L O   
4049 O  O   . HOH V .   ? 0.4004 0.6058 0.5108 -0.1214 -0.1695 0.1813  667 HOH L O   
4050 O  O   . HOH V .   ? 0.2687 0.3256 0.0272 0.1085  -0.0281 0.0585  668 HOH L O   
4051 O  O   . HOH V .   ? 0.3549 0.4852 0.2136 0.0949  0.0589  0.1068  669 HOH L O   
4052 O  O   . HOH V .   ? 0.5751 0.4994 0.6159 -0.1968 -0.0227 0.0629  670 HOH L O   
4053 O  O   . HOH V .   ? 1.0662 0.3413 0.6046 0.0825  0.1066  0.0350  671 HOH L O   
4054 O  O   . HOH V .   ? 0.7071 0.7204 0.5331 0.0636  -0.0908 0.0491  672 HOH L O   
4055 O  O   . HOH V .   ? 0.4086 0.5808 0.6821 -0.1003 -0.0048 0.1330  673 HOH L O   
4056 O  O   . HOH V .   ? 0.3777 0.3870 0.3266 -0.0247 -0.1204 0.0272  674 HOH L O   
4057 O  O   . HOH V .   ? 0.9632 0.7153 1.0966 -0.3827 0.0774  -0.0041 675 HOH L O   
4058 O  O   . HOH V .   ? 0.3382 0.4059 0.2925 -0.0690 -0.0301 0.0879  676 HOH L O   
4059 O  O   . HOH V .   ? 0.3110 0.5238 0.2297 0.0138  0.1087  -0.0446 677 HOH L O   
4060 O  O   . HOH V .   ? 0.6582 0.5334 0.2752 -0.1126 -0.0059 0.0884  678 HOH L O   
4061 O  O   . HOH V .   ? 0.4414 1.0676 0.5301 0.1418  0.1004  -0.1207 679 HOH L O   
4062 O  O   . HOH V .   ? 0.2240 0.2102 0.0519 0.0333  -0.0653 -0.0103 680 HOH L O   
4063 O  O   . HOH V .   ? 0.3516 0.5209 0.3324 0.1093  0.1376  0.0270  681 HOH L O   
4064 O  O   . HOH V .   ? 0.6373 0.3987 0.2168 -0.1194 -0.1175 0.0473  682 HOH L O   
4065 O  O   . HOH V .   ? 1.3820 0.3804 0.4710 0.1235  0.0886  -0.0849 683 HOH L O   
4066 O  O   . HOH V .   ? 0.5002 0.2916 0.2298 -0.1731 -0.1110 0.0708  684 HOH L O   
4067 O  O   . HOH V .   ? 0.4517 0.5536 0.7055 0.0099  -0.1426 -0.0957 685 HOH L O   
4068 O  O   . HOH V .   ? 0.5527 0.7009 0.5442 0.0727  -0.1722 -0.1803 686 HOH L O   
4069 O  O   . HOH V .   ? 0.6107 0.9714 0.5802 -0.0529 0.0437  0.3130  687 HOH L O   
4070 O  O   . HOH V .   ? 0.6161 0.3145 0.2995 0.1380  0.1041  0.0343  688 HOH L O   
4071 O  O   . HOH V .   ? 0.6493 0.5990 0.2389 -0.0988 -0.0820 -0.1308 689 HOH L O   
4072 O  O   . HOH V .   ? 0.4372 0.7106 0.6189 0.1956  0.2418  0.3206  690 HOH L O   
4073 O  O   . HOH V .   ? 0.6117 0.6906 0.3981 0.2464  -0.0706 -0.1569 691 HOH L O   
4074 O  O   . HOH V .   ? 0.4080 0.6371 0.2454 0.0309  0.0103  0.1776  692 HOH L O   
4075 O  O   . HOH V .   ? 0.9927 0.7709 1.6376 0.1647  -0.2972 0.0594  693 HOH L O   
4076 O  O   . HOH V .   ? 1.1231 0.4263 0.6213 -0.2263 0.0221  -0.1221 694 HOH L O   
4077 O  O   . HOH V .   ? 0.8411 1.3364 0.8273 -0.1754 -0.2004 0.0461  695 HOH L O   
4078 O  O   . HOH V .   ? 0.4960 0.9438 0.3334 0.0969  0.1298  0.0833  696 HOH L O   
# 
